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_G 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 XXXXXSSFEL 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 0.000 175.855 175.800 0.091 0.000 0.967 1 F CA 0.000 58.075 58.000 0.124 0.000 1.383 1 F CB 0.000 39.051 39.000 0.085 0.000 1.145 2 N N 2.240 120.910 118.700 -0.049 0.000 2.735 2 N HA 0.353 5.093 4.740 0.001 0.000 0.312 2 N C -1.212 174.305 175.510 0.012 0.000 1.843 2 N CA -0.087 52.970 53.050 0.012 0.000 0.945 2 N CB 0.859 39.318 38.487 -0.047 0.000 1.299 2 N HN 0.416 nan 8.380 nan 0.000 0.489 3 L N 0.620 121.869 121.223 0.043 0.000 2.276 3 L HA 0.269 4.609 4.340 0.001 0.000 0.286 3 L C 0.113 177.012 176.870 0.048 0.000 1.024 3 L CA -0.900 53.965 54.840 0.042 0.000 0.826 3 L CB 1.215 43.305 42.059 0.052 0.000 1.211 3 L HN 0.089 nan 8.230 nan 0.000 0.422 4 D N 1.911 122.335 120.400 0.041 0.000 2.493 4 D HA 0.002 4.643 4.640 0.001 0.000 0.240 4 D C 0.117 176.436 176.300 0.032 0.000 1.142 4 D CA 0.518 54.541 54.000 0.038 0.000 0.872 4 D CB 0.937 41.758 40.800 0.034 0.000 1.173 4 D HN 0.470 nan 8.370 nan 0.000 0.467 5 T N 4.310 118.879 114.554 0.025 0.000 3.448 5 T HA 0.229 4.579 4.350 0.001 0.000 0.271 5 T C 0.256 174.957 174.700 0.001 0.000 1.002 5 T CA -0.574 61.532 62.100 0.010 0.000 0.995 5 T CB 0.376 69.249 68.868 0.008 0.000 1.153 5 T HN 0.356 nan 8.240 nan 0.000 0.510 6 E N 0.814 121.017 120.200 0.004 0.000 3.902 6 E HA 0.094 4.444 4.350 0.001 0.000 0.247 6 E C -0.133 176.463 176.600 -0.006 0.000 1.284 6 E CA 0.079 56.478 56.400 -0.002 0.000 1.773 6 E CB 0.205 29.910 29.700 0.008 0.000 1.684 6 E HN 0.148 nan 8.360 nan 0.000 0.762 7 E N 2.343 122.547 120.200 0.007 0.000 2.026 7 E HA 0.315 4.665 4.350 0.001 0.000 0.253 7 E C -0.055 176.555 176.600 0.016 0.000 1.056 7 E CA -0.139 56.263 56.400 0.004 0.000 0.927 7 E CB 0.092 29.803 29.700 0.019 0.000 1.172 7 E HN 0.113 nan 8.360 nan 0.000 0.445 8 L N -1.251 119.972 121.223 -0.000 0.000 2.257 8 L HA 0.713 5.054 4.340 0.001 0.000 0.257 8 L C 0.239 177.092 176.870 -0.027 0.000 1.033 8 L CA -1.039 53.807 54.840 0.010 0.000 0.835 8 L CB 0.874 42.939 42.059 0.009 0.000 1.398 8 L HN -0.008 nan 8.230 nan 0.000 0.429 9 T N -1.797 112.735 114.554 -0.037 0.000 2.867 9 T HA 0.899 5.249 4.350 0.001 0.000 0.282 9 T C -0.291 174.249 174.700 -0.268 0.000 1.000 9 T CA -0.125 61.865 62.100 -0.183 0.000 1.042 9 T CB 1.458 70.216 68.868 -0.184 0.000 0.973 9 T HN 1.139 nan 8.240 nan 0.000 0.465 10 A N 2.411 124.994 122.820 -0.396 0.000 2.375 10 A HA 0.684 5.004 4.320 0.001 0.000 0.295 10 A C -1.172 176.194 177.584 -0.364 0.000 1.066 10 A CA -0.851 51.020 52.037 -0.277 0.000 0.722 10 A CB 0.608 19.531 19.000 -0.129 0.000 1.206 10 A HN 0.723 nan 8.150 nan 0.000 0.435 11 F N 2.341 122.332 119.950 0.069 0.000 2.332 11 F HA 0.417 4.945 4.527 0.001 0.000 0.368 11 F C 1.225 177.055 175.800 0.049 0.000 1.110 11 F CA -0.488 57.547 58.000 0.058 0.000 1.087 11 F CB 1.423 40.503 39.000 0.133 0.000 1.235 11 F HN 0.645 nan 8.300 nan 0.000 0.470 12 R N 2.042 122.598 120.500 0.094 0.000 3.256 12 R HA 0.544 4.885 4.340 0.001 0.000 0.263 12 R C -1.570 174.600 176.300 -0.218 0.000 1.388 12 R CA -0.385 55.703 56.100 -0.022 0.000 1.580 12 R CB 0.127 30.413 30.300 -0.024 0.000 1.255 12 R HN 0.307 nan 8.270 nan 0.000 0.640 13 V N 2.389 121.962 119.914 -0.569 0.000 2.353 13 V HA 0.032 4.152 4.120 0.001 0.000 0.264 13 V C 0.087 175.699 176.094 -0.804 0.000 1.049 13 V CA -0.490 61.303 62.300 -0.845 0.000 0.896 13 V CB 0.953 31.973 31.823 -1.339 0.000 1.025 13 V HN 0.535 nan 8.190 nan 0.000 0.475 14 D N 3.884 124.059 120.400 -0.376 0.000 2.435 14 D HA 0.151 4.791 4.640 0.001 0.000 0.230 14 D C 0.252 176.480 176.300 -0.120 0.000 1.215 14 D CA 0.283 54.171 54.000 -0.186 0.000 0.947 14 D CB 0.502 41.242 40.800 -0.100 0.000 1.048 14 D HN 0.474 nan 8.370 nan 0.000 0.512 15 S N 2.253 117.928 115.700 -0.040 0.000 2.327 15 S HA 0.582 5.052 4.470 0.001 0.000 0.203 15 S C 0.540 175.240 174.600 0.168 0.000 1.326 15 S CA -0.036 58.221 58.200 0.095 0.000 1.248 15 S CB 0.525 63.852 63.200 0.211 0.000 1.199 15 S HN 0.713 nan 8.310 nan 0.000 0.422 16 A N 1.598 124.489 122.820 0.118 0.000 5.090 16 A HA -0.204 4.117 4.320 0.001 0.000 0.306 16 A C 1.490 179.166 177.584 0.154 0.000 1.990 16 A CA 0.826 52.933 52.037 0.117 0.000 0.714 16 A CB -1.794 17.267 19.000 0.102 0.000 1.281 16 A HN 1.250 nan 8.150 nan 0.000 0.362 17 G N -1.022 107.869 108.800 0.152 0.000 3.374 17 G HA2 0.422 4.382 3.960 0.001 0.000 0.252 17 G HA3 0.422 4.382 3.960 0.001 0.000 0.252 17 G C 0.188 175.189 174.900 0.168 0.000 1.326 17 G CA 0.744 45.930 45.100 0.144 0.000 1.133 17 G HN 1.098 nan 8.290 nan 0.000 0.528 18 F N 1.061 121.058 119.950 0.078 0.000 2.496 18 F HA 0.413 4.940 4.527 0.001 0.000 0.344 18 F C 1.290 177.137 175.800 0.078 0.000 1.155 18 F CA 0.745 58.798 58.000 0.089 0.000 1.302 18 F CB 0.919 39.970 39.000 0.085 0.000 1.159 18 F HN 0.256 nan 8.300 nan 0.000 0.595 19 G N 4.008 112.308 108.800 -0.833 0.000 2.338 19 G HA2 -0.333 3.627 3.960 0.001 0.000 0.296 19 G HA3 -0.333 3.627 3.960 0.001 0.000 0.296 19 G C 0.288 175.116 174.900 -0.120 0.000 1.040 19 G CA 0.642 45.484 45.100 -0.429 0.000 1.004 19 G HN 0.870 nan 8.290 nan 0.000 0.509 20 D N -1.002 119.326 120.400 -0.120 0.000 2.454 20 D HA 0.283 4.924 4.640 0.001 0.000 0.219 20 D C 0.776 177.045 176.300 -0.051 0.000 1.081 20 D CA 1.155 55.141 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 -0.060 115.583 115.700 -0.096 0.000 2.566 21 S HA 0.601 5.071 4.470 0.001 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 -0.087 0.000 0.938 21 S CB 1.241 64.386 63.200 -0.092 0.000 1.087 21 S HN -0.065 nan 8.310 nan 0.000 0.474 22 V N 4.749 124.625 119.914 -0.064 0.000 3.114 22 V HA 0.996 5.116 4.120 0.001 0.000 0.308 22 V C -1.318 174.775 176.094 -0.003 0.000 1.168 22 V CA -0.260 62.014 62.300 -0.043 0.000 1.015 22 V CB 2.054 33.856 31.823 -0.035 0.000 1.050 22 V HN 0.976 nan 8.190 nan 0.000 0.433 23 V N 3.861 123.791 119.914 0.026 0.000 3.120 23 V HA 0.530 4.650 4.120 0.001 0.000 0.303 23 V C -1.226 174.925 176.094 0.096 0.000 1.238 23 V CA -0.606 61.728 62.300 0.057 0.000 1.008 23 V CB 2.595 34.459 31.823 0.068 0.000 1.064 23 V HN 0.959 nan 8.190 nan 0.000 0.434 24 Q N 3.633 123.491 119.800 0.097 0.000 2.296 24 Q HA 0.212 4.552 4.340 0.001 0.000 0.263 24 Q C -0.971 175.132 176.000 0.172 0.000 1.026 24 Q CA 0.155 56.031 55.803 0.121 0.000 0.912 24 Q CB 1.137 29.920 28.738 0.075 0.000 1.198 24 Q HN 0.691 nan 8.270 nan 0.000 0.407 25 Y N 1.753 122.094 120.300 0.068 0.000 2.356 25 Y HA 0.374 4.924 4.550 0.000 0.000 0.341 25 Y C 0.113 176.053 175.900 0.065 0.000 1.343 25 Y CA -1.136 57.001 58.100 0.062 0.000 1.570 25 Y CB 0.442 38.964 38.460 0.103 0.000 1.558 25 Y HN 0.678 nan 8.280 nan 0.000 0.557 26 A N 2.887 125.257 122.820 -0.749 0.000 2.600 26 A HA -0.137 4.183 4.320 0.001 0.000 0.244 26 A C 1.172 178.680 177.584 -0.127 0.000 1.016 26 A CA 0.446 52.172 52.037 -0.518 0.000 0.778 26 A CB -0.501 18.043 19.000 -0.760 0.000 0.920 26 A HN 0.890 nan 8.150 nan 0.000 0.513 27 N N 1.974 120.639 118.700 -0.059 0.000 2.202 27 N HA -0.190 4.550 4.740 0.001 0.000 0.197 27 N C 1.696 177.239 175.510 0.055 0.000 0.995 27 N CA 2.019 55.073 53.050 0.007 0.000 0.894 27 N CB -0.375 38.103 38.487 -0.014 0.000 1.010 27 N HN 0.683 nan 8.380 nan 0.000 0.453 28 S N -1.080 114.682 115.700 0.104 0.000 2.474 28 S HA -0.028 4.442 4.470 0.001 0.000 0.235 28 S C 0.112 174.664 174.600 -0.080 0.000 0.997 28 S CA 0.644 58.874 58.200 0.049 0.000 0.949 28 S CB 0.056 63.349 63.200 0.156 0.000 0.766 28 S HN 0.385 nan 8.310 nan 0.000 0.517 29 W N -1.141 120.247 121.300 0.147 0.000 3.032 29 W HA 0.689 5.350 4.660 0.001 0.000 0.341 29 W C -0.978 175.658 176.519 0.195 0.000 1.202 29 W CA -0.740 56.725 57.345 0.199 0.000 1.132 29 W CB 0.998 30.634 29.460 0.294 0.000 1.465 29 W HN -0.307 nan 8.180 nan 0.000 0.576 30 V N 2.370 122.520 119.914 0.394 0.000 2.577 30 V HA 0.705 4.825 4.120 0.001 0.000 0.303 30 V C -1.585 174.610 176.094 0.167 0.000 1.042 30 V CA -0.931 61.519 62.300 0.250 0.000 0.872 30 V CB 1.659 33.598 31.823 0.193 0.000 0.998 30 V HN 0.345 nan 8.190 nan 0.000 0.423 31 V N 7.418 127.392 119.914 0.099 0.000 2.394 31 V HA 0.575 4.696 4.120 0.001 0.000 0.282 31 V C 0.081 176.165 176.094 -0.017 0.000 1.031 31 V CA -0.181 62.120 62.300 0.003 0.000 0.881 31 V CB 1.744 33.510 31.823 -0.096 0.000 0.982 31 V HN 0.879 nan 8.190 nan 0.000 0.451 32 V N 2.359 122.249 119.914 -0.041 0.000 2.994 32 V HA 1.049 5.169 4.120 0.001 0.000 0.318 32 V C 0.314 176.318 176.094 -0.150 0.000 1.085 32 V CA -0.535 61.670 62.300 -0.158 0.000 0.998 32 V CB 1.756 33.354 31.823 -0.376 0.000 1.063 32 V HN 0.886 nan 8.190 nan 0.000 0.447 33 G N 0.330 109.006 108.800 -0.207 0.000 2.495 33 G HA2 0.754 4.714 3.960 0.001 0.000 0.318 33 G HA3 0.754 4.714 3.960 0.001 0.000 0.318 33 G C -0.536 174.299 174.900 -0.107 0.000 1.257 33 G CA -0.405 44.622 45.100 -0.122 0.000 0.962 33 G HN 1.665 nan 8.290 nan 0.000 0.483 34 A N 3.668 126.487 122.820 -0.002 0.000 3.082 34 A HA 0.672 4.993 4.320 0.001 0.000 0.328 34 A C -1.755 175.863 177.584 0.056 0.000 1.089 34 A CA -1.149 50.937 52.037 0.081 0.000 0.802 34 A CB 1.393 20.544 19.000 0.251 0.000 1.138 34 A HN 0.368 nan 8.150 nan 0.000 0.474 35 P HA -0.176 nan 4.420 nan 0.000 0.216 35 P C 0.702 178.031 177.300 0.048 0.000 1.150 35 P CA 1.437 64.556 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 -0.859 118.978 119.800 0.063 0.000 2.242 36 Q HA 0.111 4.451 4.340 0.001 0.000 0.246 36 Q C 0.316 176.359 176.000 0.071 0.000 0.883 36 Q CA 0.120 55.962 55.803 0.065 0.000 0.984 36 Q CB -0.401 28.378 28.738 0.069 0.000 1.096 36 Q HN 0.140 nan 8.270 nan 0.000 0.452 37 K N 1.564 122.007 120.400 0.072 0.000 2.222 37 K HA 0.174 4.494 4.320 0.001 0.000 0.243 37 K C -0.631 175.994 176.600 0.042 0.000 1.160 37 K CA -0.265 56.067 56.287 0.075 0.000 1.090 37 K CB -0.202 32.355 32.500 0.095 0.000 1.694 37 K HN 0.279 nan 8.250 nan 0.000 0.361 38 I N 3.327 123.920 120.570 0.038 0.000 3.089 38 I HA -0.192 3.978 4.170 0.001 0.000 0.321 38 I C 0.367 176.492 176.117 0.013 0.000 1.222 38 I CA 1.078 62.392 61.300 0.023 0.000 1.452 38 I CB -0.053 37.959 38.000 0.021 0.000 1.321 38 I HN 0.556 nan 8.210 nan 0.000 0.539 39 T N 3.588 118.144 114.554 0.005 0.000 3.011 39 T HA 0.713 5.063 4.350 0.001 0.000 0.303 39 T C -0.029 174.669 174.700 -0.005 0.000 0.997 39 T CA -0.108 61.989 62.100 -0.005 0.000 1.007 39 T CB 1.866 70.723 68.868 -0.019 0.000 1.017 39 T HN 1.265 nan 8.240 nan 0.000 0.443 40 A N 2.472 125.288 122.820 -0.006 0.000 5.691 40 A HA 0.256 4.576 4.320 0.001 0.000 0.271 40 A C 0.746 178.327 177.584 -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 0.001 0.000 0.316 41 A C 0.607 178.181 177.584 -0.017 0.000 1.381 41 A CA 0.493 52.524 52.037 -0.011 0.000 0.998 41 A CB -0.813 18.181 19.000 -0.011 0.000 1.147 41 A HN 1.672 nan 8.150 nan 0.000 0.545 42 N N 1.210 119.898 118.700 -0.020 0.000 2.698 42 N HA -0.209 4.532 4.740 0.001 0.000 0.258 42 N C 0.364 175.860 175.510 -0.024 0.000 0.978 42 N CA 1.585 54.616 53.050 -0.031 0.000 0.777 42 N CB -0.591 37.859 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 4.635 4.340 0.001 0.000 0.204 43 Q C 1.052 177.072 176.000 0.034 0.000 1.165 43 Q CA 0.015 55.830 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 -2.590 111.982 114.554 0.031 0.000 2.833 44 T HA 0.485 4.835 4.350 0.001 0.000 0.312 44 T C 0.777 175.487 174.700 0.016 0.000 1.085 44 T CA -0.090 62.030 62.100 0.033 0.000 0.955 44 T CB 0.557 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 -1.155 107.648 108.800 0.005 0.000 2.478 45 G HA2 0.622 4.583 3.960 0.001 0.000 0.211 45 G HA3 0.622 4.583 3.960 0.001 0.000 0.211 45 G C 0.511 175.383 174.900 -0.046 0.000 1.726 45 G CA -0.014 45.086 45.100 0.001 0.000 0.725 45 G HN 1.623 nan 8.290 nan 0.000 0.654 46 G N -1.246 107.504 108.800 -0.083 0.000 2.317 46 G HA2 0.356 4.316 3.960 0.001 0.000 0.445 46 G HA3 0.356 4.316 3.960 0.001 0.000 0.445 46 G C -1.383 173.384 174.900 -0.221 0.000 1.486 46 G CA -0.732 44.255 45.100 -0.189 0.000 0.991 46 G HN 0.554 nan 8.290 nan 0.000 0.660 47 L N -0.378 120.652 121.223 -0.322 0.000 2.313 47 L HA 0.824 5.165 4.340 0.001 0.000 0.268 47 L C -0.903 175.723 176.870 -0.408 0.000 1.010 47 L CA -1.197 53.486 54.840 -0.262 0.000 0.814 47 L CB 2.078 44.013 42.059 -0.208 0.000 1.304 47 L HN 0.578 nan 8.230 nan 0.000 0.441 48 Y N 0.041 120.330 120.300 -0.018 0.000 2.396 48 Y HA 0.290 4.841 4.550 0.001 0.000 0.332 48 Y C -0.520 175.365 175.900 -0.025 0.000 1.034 48 Y CA -0.923 57.187 58.100 0.017 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 2.012 121.892 119.800 0.133 0.000 2.256 49 Q HA 0.791 5.131 4.340 0.001 0.000 0.257 49 Q C -1.318 174.850 176.000 0.281 0.000 0.936 49 Q CA -0.578 55.300 55.803 0.124 0.000 0.903 49 Q CB 1.603 30.262 28.738 -0.132 0.000 1.263 49 Q HN 0.618 nan 8.270 nan 0.000 0.440 50 c N 2.498 121.251 118.600 0.256 0.000 2.498 50 c HA 0.875 5.445 4.570 0.001 0.000 0.316 50 c C 0.450 174.511 174.090 -0.048 0.000 1.209 50 c CA -0.481 55.785 56.329 -0.106 0.000 1.518 50 c CB 1.170 43.126 42.510 -0.924 0.000 2.147 50 c HN 1.015 nan 8.230 nan 0.000 0.483 51 G N 0.155 108.803 108.800 -0.254 0.000 2.441 51 G HA2 0.469 4.429 3.960 0.001 0.000 0.334 51 G HA3 0.469 4.429 3.960 0.001 0.000 0.334 51 G C -0.225 174.682 174.900 0.013 0.000 1.161 51 G CA -0.165 44.657 45.100 -0.463 0.000 0.935 51 G HN 0.792 nan 8.290 nan 0.000 0.488 52 Y N 0.902 121.145 120.300 -0.096 0.000 2.243 52 Y HA -0.033 4.518 4.550 0.001 0.000 0.293 52 Y C 2.873 178.765 175.900 -0.013 0.000 1.124 52 Y CA 2.068 60.184 58.100 0.027 0.000 1.159 52 Y CB -0.099 38.352 38.460 -0.014 0.000 1.008 52 Y HN 0.455 nan 8.280 nan 0.000 0.527 53 S N -0.234 115.411 115.700 -0.091 0.000 2.401 53 S HA -0.248 4.223 4.470 0.001 0.000 0.236 53 S C 0.895 175.367 174.600 -0.212 0.000 1.058 53 S CA 2.002 60.111 58.200 -0.151 0.000 1.151 53 S CB -1.221 61.931 63.200 -0.081 0.000 1.049 53 S HN 0.666 nan 8.310 nan 0.000 0.432 54 T N -0.343 114.136 114.554 -0.125 0.000 2.779 54 T HA 0.619 4.970 4.350 0.001 0.000 0.280 54 T C 0.090 174.796 174.700 0.010 0.000 0.987 54 T CA -0.475 61.578 62.100 -0.078 0.000 0.966 54 T CB 1.739 70.589 68.868 -0.030 0.000 0.933 54 T HN 0.239 nan 8.240 nan 0.000 0.442 55 G N 1.849 110.639 108.800 -0.017 0.000 2.852 55 G HA2 0.514 4.474 3.960 0.001 0.000 0.280 55 G HA3 0.514 4.474 3.960 0.001 0.000 0.280 55 G C 0.041 175.100 174.900 0.264 0.000 0.731 55 G CA -0.196 44.964 45.100 0.101 0.000 2.037 55 G HN 1.255 nan 8.290 nan 0.000 0.560 56 A N 0.836 123.900 122.820 0.406 0.000 2.605 56 A HA 0.606 4.926 4.320 0.001 0.000 0.294 56 A C -0.834 176.759 177.584 0.015 0.000 1.062 56 A CA -0.593 51.552 52.037 0.181 0.000 0.682 56 A CB 0.986 20.031 19.000 0.075 0.000 1.278 56 A HN 0.623 nan 8.150 nan 0.000 0.410 57 c N 1.786 120.340 118.600 -0.076 0.000 2.322 57 c HA 0.732 5.303 4.570 0.001 0.000 0.324 57 c C -0.211 173.875 174.090 -0.007 0.000 1.284 57 c CA -0.647 55.603 56.329 -0.132 0.000 1.606 57 c CB 0.720 43.064 42.510 -0.277 0.000 2.251 57 c HN 0.758 nan 8.230 nan 0.000 0.502 58 E N 3.187 123.470 120.200 0.138 0.000 2.175 58 E HA 0.362 4.713 4.350 0.001 0.000 0.278 58 E C -2.342 174.436 176.600 0.296 0.000 0.969 58 E CA -1.969 54.540 56.400 0.180 0.000 0.796 58 E CB 1.126 30.918 29.700 0.153 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 0.155 63.316 63.100 0.101 0.000 0.777 59 P CB 0.597 32.334 31.700 0.061 0.000 0.875 60 I N 0.977 121.426 120.570 -0.201 0.000 2.404 60 I HA 0.479 4.649 4.170 0.001 0.000 0.293 60 I C 0.434 176.426 176.117 -0.209 0.000 0.992 60 I CA -0.696 60.481 61.300 -0.204 0.000 1.149 60 I CB 1.250 39.101 38.000 -0.247 0.000 1.315 60 I HN 0.340 nan 8.210 nan 0.000 0.446 61 G N 7.869 116.565 108.800 -0.173 0.000 2.365 61 G HA2 0.442 4.402 3.960 0.001 0.000 0.249 61 G HA3 0.442 4.402 3.960 0.001 0.000 0.249 61 G C -0.926 173.855 174.900 -0.198 0.000 1.288 61 G CA -0.207 44.798 45.100 -0.158 0.000 0.887 61 G HN 0.574 nan 8.290 nan 0.000 0.524 62 L N 1.398 122.496 121.223 -0.207 0.000 2.482 62 L HA 0.266 4.606 4.340 0.001 0.000 0.263 62 L C -0.817 175.928 176.870 -0.208 0.000 0.957 62 L CA -0.906 53.769 54.840 -0.275 0.000 0.836 62 L CB 2.645 44.460 42.059 -0.408 0.000 1.324 62 L HN 0.410 nan 8.230 nan 0.000 0.406 63 Q N 2.291 121.982 119.800 -0.182 0.000 2.810 63 Q HA 0.277 4.617 4.340 0.001 0.000 0.236 63 Q C -0.642 175.319 176.000 -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 29.505 28.738 -0.044 0.000 1.364 63 Q HN 0.300 nan 8.270 nan 0.000 0.570 64 V N 3.711 123.574 119.914 -0.085 0.000 2.421 64 V HA 0.135 4.256 4.120 0.001 0.000 0.271 64 V C -1.843 174.271 176.094 0.032 0.000 1.031 64 V CA -1.430 60.861 62.300 -0.015 0.000 1.032 64 V CB -0.148 31.650 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 -1.388 61.742 63.100 0.050 0.000 0.771 65 P CB 0.156 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 1.324 64.438 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 0.297 120.516 120.200 0.032 0.000 2.038 67 E HA -0.099 4.251 4.350 0.001 0.000 0.195 67 E C 1.127 177.760 176.600 0.055 0.000 1.000 67 E CA 0.901 57.322 56.400 0.035 0.000 0.803 67 E CB -1.106 28.601 29.700 0.011 0.000 0.750 67 E HN 0.145 nan 8.360 nan 0.000 0.448 68 A N 2.377 125.230 122.820 0.055 0.000 2.438 68 A HA 0.311 4.631 4.320 0.001 0.000 0.280 68 A C 0.039 177.679 177.584 0.093 0.000 1.160 68 A CA -0.057 52.025 52.037 0.075 0.000 0.821 68 A CB 0.156 19.205 19.000 0.081 0.000 1.101 68 A HN -0.031 nan 8.150 nan 0.000 0.515 69 V N 3.019 123.007 119.914 0.124 0.000 2.864 69 V HA 0.323 4.444 4.120 0.001 0.000 0.314 69 V C 0.931 177.142 176.094 0.195 0.000 1.073 69 V CA -0.558 61.814 62.300 0.121 0.000 0.956 69 V CB 1.607 33.488 31.823 0.095 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 0.001 0.000 0.254 70 N C 0.885 176.544 175.510 0.249 0.000 0.988 70 N CA 1.526 54.645 53.050 0.115 0.000 0.775 70 N CB -0.401 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 -2.239 117.466 119.600 0.174 0.000 2.514 71 M HA 0.164 4.645 4.480 0.001 0.000 0.258 71 M C 0.275 176.636 176.300 0.103 0.000 1.119 71 M CA 0.631 56.013 55.300 0.136 0.000 1.111 71 M CB 0.165 32.829 32.600 0.107 0.000 1.390 71 M HN 0.052 nan 8.290 nan 0.000 0.475 72 S N 3.004 118.758 115.700 0.091 0.000 3.242 72 S HA -0.083 4.387 4.470 0.001 0.000 0.357 72 S C 0.115 174.746 174.600 0.051 0.000 0.897 72 S CA 0.541 58.780 58.200 0.064 0.000 1.349 72 S CB -2.235 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 -0.782 120.473 121.223 0.055 0.000 2.476 73 L HA 0.809 5.149 4.340 0.001 0.000 0.255 73 L C 1.503 178.381 176.870 0.014 0.000 1.218 73 L CA 0.702 55.579 54.840 0.061 0.000 0.819 73 L CB -0.177 41.955 42.059 0.120 0.000 1.119 73 L HN 0.682 nan 8.230 nan 0.000 0.485 74 G N -0.144 108.658 108.800 0.004 0.000 2.268 74 G HA2 -0.307 3.653 3.960 0.001 0.000 0.240 74 G HA3 -0.307 3.653 3.960 0.001 0.000 0.240 74 G C 0.656 175.523 174.900 -0.055 0.000 1.010 74 G CA 0.492 45.573 45.100 -0.031 0.000 0.618 74 G HN 0.967 nan 8.290 nan 0.000 0.516 75 L N 1.638 122.827 121.223 -0.058 0.000 2.043 75 L HA 0.346 4.687 4.340 0.001 0.000 0.212 75 L C 1.414 178.178 176.870 -0.176 0.000 1.075 75 L CA 2.837 57.613 54.840 -0.106 0.000 0.752 75 L CB -0.255 41.743 42.059 -0.102 0.000 0.891 75 L HN 0.552 nan 8.230 nan 0.000 0.432 76 S N -0.896 114.706 115.700 -0.163 0.000 2.478 76 S HA 0.656 5.127 4.470 0.001 0.000 0.312 76 S C -0.750 173.798 174.600 -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 63.578 63.200 -0.231 0.000 1.007 76 S HN 0.188 nan 8.310 nan 0.000 0.475 77 L N 2.953 124.139 121.223 -0.063 0.000 2.327 77 L HA 1.000 5.341 4.340 0.001 0.000 0.258 77 L C -0.537 176.363 176.870 0.050 0.000 1.024 77 L CA -0.912 53.927 54.840 -0.001 0.000 0.825 77 L CB 2.202 44.258 42.059 -0.005 0.000 1.386 77 L HN 0.808 nan 8.230 nan 0.000 0.417 78 A N 0.920 123.822 122.820 0.138 0.000 2.583 78 A HA 0.649 4.970 4.320 0.001 0.000 0.298 78 A C -1.435 176.420 177.584 0.453 0.000 1.055 78 A CA -0.360 51.837 52.037 0.266 0.000 0.714 78 A CB 1.857 21.014 19.000 0.262 0.000 1.277 78 A HN 0.462 nan 8.150 nan 0.000 0.406 79 S N 0.077 115.944 115.700 0.278 0.000 2.549 79 S HA 0.866 5.336 4.470 0.001 0.000 0.280 79 S C -0.407 173.900 174.600 -0.488 0.000 1.109 79 S CA 0.292 58.462 58.200 -0.051 0.000 0.905 79 S CB 1.939 65.175 63.200 0.061 0.000 1.081 79 S HN 1.649 nan 8.310 nan 0.000 0.477 80 T N 0.463 114.422 114.554 -0.991 0.000 2.940 80 T HA 0.640 4.990 4.350 0.001 0.000 0.288 80 T C 1.045 175.516 174.700 -0.382 0.000 1.045 80 T CA 0.232 61.872 62.100 -0.768 0.000 1.018 80 T CB 1.340 69.556 68.868 -1.087 0.000 1.151 80 T HN 0.853 nan 8.240 nan 0.000 0.529 81 T N -1.188 113.227 114.554 -0.232 0.000 2.964 81 T HA 0.195 4.545 4.350 0.001 0.000 0.249 81 T C 1.864 176.499 174.700 -0.108 0.000 1.000 81 T CA 0.676 62.688 62.100 -0.148 0.000 0.992 81 T CB -0.414 68.398 68.868 -0.094 0.000 1.087 81 T HN 0.457 nan 8.240 nan 0.000 0.489 82 S N 3.377 119.024 115.700 -0.087 0.000 2.506 82 S HA -0.060 4.411 4.470 0.001 0.000 0.312 82 S C -1.603 172.970 174.600 -0.045 0.000 1.079 82 S CA 1.088 59.262 58.200 -0.044 0.000 1.755 82 S CB -1.626 61.565 63.200 -0.014 0.000 1.371 82 S HN 0.493 nan 8.310 nan 0.000 0.430 83 P HA 0.331 nan 4.420 nan 0.000 0.288 83 P C -0.984 176.263 177.300 -0.087 0.000 1.267 83 P CA -0.359 62.714 63.100 -0.046 0.000 0.815 83 P CB 0.932 32.624 31.700 -0.014 0.000 0.989 84 S N 2.709 118.342 115.700 -0.113 0.000 2.509 84 S HA 0.152 4.623 4.470 0.001 0.000 0.287 84 S C -0.172 174.352 174.600 -0.128 0.000 1.248 84 S CA -0.259 57.834 58.200 -0.179 0.000 1.089 84 S CB -0.319 62.733 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 0.716 5.057 4.340 0.001 0.000 0.288 85 Q C -1.286 174.790 176.000 0.127 0.000 1.051 85 Q CA -0.914 54.916 55.803 0.045 0.000 0.788 85 Q CB 2.374 31.189 28.738 0.128 0.000 1.469 85 Q HN 0.751 nan 8.270 nan 0.000 0.416 86 L N 1.014 122.435 121.223 0.330 0.000 2.327 86 L HA 0.749 5.089 4.340 0.001 0.000 0.258 86 L C -2.067 175.007 176.870 0.341 0.000 1.024 86 L CA -1.041 54.002 54.840 0.339 0.000 0.825 86 L CB 2.244 44.430 42.059 0.211 0.000 1.386 86 L HN 0.597 nan 8.230 nan 0.000 0.417 87 L N 2.871 124.272 121.223 0.296 0.000 2.516 87 L HA 0.858 5.199 4.340 0.001 0.000 0.267 87 L C -1.184 175.747 176.870 0.101 0.000 0.957 87 L CA 0.019 54.967 54.840 0.179 0.000 0.860 87 L CB 1.542 43.663 42.059 0.105 0.000 1.265 87 L HN 0.703 nan 8.230 nan 0.000 0.403 88 A N 3.461 126.338 122.820 0.095 0.000 2.350 88 A HA 0.958 5.279 4.320 0.001 0.000 0.318 88 A C -1.158 176.477 177.584 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 0.092 0.000 1.313 88 A HN 0.768 nan 8.150 nan 0.000 0.454 89 c N -0.520 118.110 118.600 0.051 0.000 2.880 89 c HA 0.699 5.269 4.570 0.001 0.000 0.320 89 c C 0.536 174.642 174.090 0.027 0.000 1.176 89 c CA -0.458 55.869 56.329 -0.002 0.000 1.390 89 c CB 1.592 44.071 42.510 -0.053 0.000 1.846 89 c HN 1.195 nan 8.230 nan 0.000 0.478 90 G N 2.358 111.172 108.800 0.023 0.000 3.005 90 G HA2 0.485 4.446 3.960 0.001 0.000 0.342 90 G HA3 0.485 4.446 3.960 0.001 0.000 0.342 90 G C -2.328 172.580 174.900 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 0.765 178.101 177.300 0.060 0.000 1.461 91 P CA 0.527 63.663 63.100 0.059 0.000 0.809 91 P CB 0.251 32.034 31.700 0.138 0.000 1.503 92 T N -5.435 109.138 114.554 0.032 0.000 3.714 92 T HA 0.173 4.524 4.350 0.001 0.000 0.309 92 T C 0.147 174.801 174.700 -0.076 0.000 0.958 92 T CA -0.318 61.776 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 2.538 122.429 119.914 -0.038 0.000 2.788 93 V HA 0.167 4.287 4.120 0.001 0.000 0.307 93 V C 0.046 176.092 176.094 -0.080 0.000 1.069 93 V CA 0.259 62.574 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 2.777 121.900 119.070 0.089 0.000 2.638 94 H HA 0.548 5.104 4.556 0.001 0.000 0.317 94 H C -0.239 175.150 175.328 0.103 0.000 1.006 94 H CA -0.540 55.546 56.048 0.063 0.000 1.222 94 H CB 0.731 30.505 29.762 0.019 0.000 1.419 94 H HN 0.923 nan 8.280 nan 0.000 0.489 95 H N 0.155 119.290 119.070 0.108 0.000 2.539 95 H HA 0.312 4.868 4.556 0.001 0.000 0.332 95 H C -0.654 174.724 175.328 0.084 0.000 1.031 95 H CA -1.167 54.931 56.048 0.083 0.000 1.206 95 H CB 0.996 30.793 29.762 0.058 0.000 1.446 95 H HN 0.605 nan 8.280 nan 0.000 0.496 96 E N 2.918 123.152 120.200 0.057 0.000 2.070 96 E HA 0.165 4.515 4.350 0.001 0.000 0.282 96 E C -0.447 176.177 176.600 0.040 0.000 1.104 96 E CA -0.628 55.770 56.400 -0.003 0.000 0.876 96 E CB 0.517 30.225 29.700 0.013 0.000 1.055 96 E HN 0.637 nan 8.360 nan 0.000 0.401 97 c N 3.887 122.497 118.600 0.016 0.000 2.614 97 c HA 0.379 4.949 4.570 0.001 0.000 0.299 97 c C 1.416 175.535 174.090 0.049 0.000 1.293 97 c CA 0.297 56.680 56.329 0.089 0.000 1.713 97 c CB -1.503 41.119 42.510 0.187 0.000 1.890 97 c HN 1.102 nan 8.230 nan 0.000 0.602 98 G N 2.554 111.361 108.800 0.011 0.000 3.298 98 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 98 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 98 G C 1.179 176.069 174.900 -0.017 0.000 1.681 98 G CA 0.321 45.424 45.100 0.004 0.000 1.094 98 G HN 0.405 nan 8.290 nan 0.000 0.575 99 R N 1.727 122.224 120.500 -0.006 0.000 2.112 99 R HA -0.119 4.221 4.340 0.001 0.000 0.242 99 R C 0.695 176.962 176.300 -0.056 0.000 1.137 99 R CA 2.235 58.326 56.100 -0.015 0.000 0.944 99 R CB -0.810 29.495 30.300 0.008 0.000 0.857 99 R HN 1.077 nan 8.270 nan 0.000 0.435 100 N N 0.397 119.030 118.700 -0.112 0.000 2.324 100 N HA 0.225 4.965 4.740 0.001 0.000 0.285 100 N C -0.616 174.585 175.510 -0.516 0.000 1.076 100 N CA -1.038 51.856 53.050 -0.260 0.000 0.864 100 N CB 1.252 39.584 38.487 -0.258 0.000 1.632 100 N HN 0.299 nan 8.380 nan 0.000 0.478 101 M N -0.322 118.994 119.600 -0.474 0.000 2.245 101 M HA 0.636 5.116 4.480 0.001 0.000 0.292 101 M C -0.987 174.828 176.300 -0.808 0.000 1.176 101 M CA -0.156 54.836 55.300 -0.513 0.000 1.035 101 M CB 0.728 33.208 32.600 -0.200 0.000 1.440 101 M HN 0.519 nan 8.290 nan 0.000 0.494 102 Y N -0.792 119.320 120.300 -0.313 0.000 2.974 102 Y HA 0.742 5.293 4.550 0.001 0.000 0.310 102 Y C -1.068 174.702 175.900 -0.216 0.000 1.526 102 Y CA -1.093 56.884 58.100 -0.206 0.000 1.087 102 Y CB 1.458 39.833 38.460 -0.142 0.000 1.404 102 Y HN 0.529 nan 8.280 nan 0.000 0.491 103 L N 0.368 121.631 121.223 0.067 0.000 2.404 103 L HA 0.431 4.771 4.340 0.001 0.000 0.272 103 L C 0.249 177.123 176.870 0.007 0.000 0.980 103 L CA -0.204 54.604 54.840 -0.053 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 1.025 115.591 114.554 0.021 0.000 3.056 104 T HA 0.435 4.786 4.350 0.001 0.000 0.243 104 T C 0.639 175.284 174.700 -0.092 0.000 0.995 104 T CA 0.630 62.704 62.100 -0.043 0.000 1.091 104 T CB 0.238 69.060 68.868 -0.075 0.000 0.990 104 T HN 0.951 nan 8.240 nan 0.000 0.464 105 G N 1.033 109.790 108.800 -0.072 0.000 2.785 105 G HA2 0.179 4.140 3.960 0.001 0.000 0.686 105 G HA3 0.179 4.140 3.960 0.001 0.000 0.686 105 G C -1.315 173.498 174.900 -0.145 0.000 1.155 105 G CA -0.308 44.741 45.100 -0.084 0.000 0.760 105 G HN 0.984 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 0.796 5.137 4.340 0.001 0.000 0.265 106 L C -0.085 176.487 176.870 -0.496 0.000 0.945 106 L CA -0.609 54.036 54.840 -0.325 0.000 0.869 106 L CB 1.638 43.519 42.059 -0.297 0.000 1.294 106 L HN 1.052 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 0.001 0.000 0.346 107 c C -0.891 172.654 174.090 -0.908 0.000 1.245 107 c CA -0.653 55.314 56.329 -0.603 0.000 1.804 107 c CB 1.657 43.986 42.510 -0.301 0.000 2.279 107 c HN 0.689 nan 8.230 nan 0.000 0.498 108 F N 0.883 120.778 119.950 -0.092 0.000 2.561 108 F HA 0.609 5.136 4.527 0.000 0.000 0.313 108 F C -0.340 175.426 175.800 -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 4.711 125.999 121.223 0.108 0.000 2.280 109 L HA 0.510 4.850 4.340 0.001 0.000 0.287 109 L C -0.727 176.203 176.870 0.100 0.000 1.023 109 L CA -0.560 54.341 54.840 0.101 0.000 0.819 109 L CB 1.061 43.157 42.059 0.062 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 0.102 0.000 2.693 110 L HA 0.951 5.292 4.340 0.001 0.000 0.253 110 L C 0.670 177.612 176.870 0.120 0.000 1.155 110 L CA -0.321 54.558 54.840 0.064 0.000 1.026 110 L CB 1.062 43.109 42.059 -0.020 0.000 1.817 110 L HN 0.658 nan 8.230 nan 0.000 0.556 111 G N -1.547 107.329 108.800 0.127 0.000 2.343 111 G HA2 0.079 4.039 3.960 0.001 0.000 0.465 111 G HA3 0.079 4.039 3.960 0.001 0.000 0.465 111 G C -2.745 172.201 174.900 0.077 0.000 1.282 111 G CA -0.837 44.359 45.100 0.159 0.000 0.996 111 G HN 0.343 nan 8.290 nan 0.000 0.521 112 P HA 0.229 nan 4.420 nan 0.000 0.249 112 P C 0.556 177.867 177.300 0.019 0.000 1.686 112 P CA 1.308 64.421 63.100 0.022 0.000 0.873 112 P CB -0.298 31.405 31.700 0.006 0.000 1.828 113 T N -4.263 110.305 114.554 0.024 0.000 2.618 113 T HA 0.292 4.643 4.350 0.001 0.000 0.255 113 T C -0.731 173.979 174.700 0.017 0.000 0.988 113 T CA -0.732 61.380 62.100 0.021 0.000 1.221 113 T CB 0.756 69.641 68.868 0.027 0.000 1.674 113 T HN -0.067 nan 8.240 nan 0.000 0.448 114 Q N 0.767 120.578 119.800 0.018 0.000 2.261 114 Q HA 0.536 4.877 4.340 0.001 0.000 0.252 114 Q C -0.588 175.423 176.000 0.017 0.000 0.915 114 Q CA -0.491 55.319 55.803 0.013 0.000 0.915 114 Q CB 1.416 30.160 28.738 0.010 0.000 1.204 114 Q HN 0.415 nan 8.270 nan 0.000 0.421 115 L N 3.417 124.647 121.223 0.011 0.000 2.400 115 L HA 0.066 4.406 4.340 0.001 0.000 0.262 115 L C -0.008 176.880 176.870 0.030 0.000 1.309 115 L CA -0.112 54.739 54.840 0.018 0.000 1.186 115 L CB -0.696 41.363 42.059 -0.001 0.000 1.375 115 L HN 0.655 nan 8.230 nan 0.000 0.433 116 T N 1.394 115.965 114.554 0.029 0.000 2.900 116 T HA 0.117 4.467 4.350 0.001 0.000 0.307 116 T C 0.190 174.900 174.700 0.017 0.000 1.065 116 T CA -0.127 61.978 62.100 0.008 0.000 1.105 116 T CB 0.843 69.705 68.868 -0.011 0.000 0.979 116 T HN 0.446 nan 8.240 nan 0.000 0.544 117 Q N 1.423 121.204 119.800 -0.032 0.000 2.397 117 Q HA 0.312 4.652 4.340 0.001 0.000 0.260 117 Q C -0.732 175.145 176.000 -0.206 0.000 1.002 117 Q CA -0.335 55.416 55.803 -0.087 0.000 0.716 117 Q CB 1.404 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 2.454 122.775 120.500 -0.297 0.000 2.288 118 R HA 0.289 4.629 4.340 0.001 0.000 0.326 118 R C 0.182 176.191 176.300 -0.484 0.000 0.959 118 R CA -0.309 55.549 56.100 -0.402 0.000 0.834 118 R CB 1.233 31.231 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 0.188 4.528 4.340 0.001 0.000 0.215 119 L C -1.718 174.950 176.870 -0.338 0.000 1.065 119 L CA 0.335 54.943 54.840 -0.387 0.000 0.842 119 L CB 0.422 42.317 42.059 -0.274 0.000 1.033 119 L HN 0.441 nan 8.230 nan 0.000 0.474 120 P HA 0.201 nan 4.420 nan 0.000 0.270 120 P C 0.042 177.238 177.300 -0.173 0.000 1.551 120 P CA -0.030 62.928 63.100 -0.236 0.000 1.049 120 P CB 1.321 32.915 31.700 -0.177 0.000 1.397 121 V N 1.705 121.503 119.914 -0.194 0.000 5.043 121 V HA -0.254 3.866 4.120 0.001 0.000 0.267 121 V C 0.740 176.763 176.094 -0.119 0.000 0.597 121 V CA 1.912 64.120 62.300 -0.153 0.000 0.703 121 V CB -2.590 29.157 31.823 -0.128 0.000 0.558 121 V HN 0.781 nan 8.190 nan 0.000 1.038 122 S N 1.442 117.065 115.700 -0.128 0.000 3.363 122 S HA 0.439 4.909 4.470 0.001 0.000 0.267 122 S C 0.599 175.116 174.600 -0.137 0.000 1.288 122 S CA -0.651 57.481 58.200 -0.113 0.000 0.948 122 S CB 0.432 63.568 63.200 -0.106 0.000 1.397 122 S HN 0.839 nan 8.310 nan 0.000 0.493 123 R N 2.330 122.757 120.500 -0.123 0.000 3.252 123 R HA -0.112 4.229 4.340 0.001 0.000 0.333 123 R C -0.568 175.617 176.300 -0.192 0.000 0.722 123 R CA 0.284 56.300 56.100 -0.140 0.000 1.078 123 R CB -0.496 29.749 30.300 -0.092 0.000 0.898 123 R HN 0.608 nan 8.270 nan 0.000 0.379 124 Q N 3.180 122.816 119.800 -0.273 0.000 2.318 124 Q HA -0.056 4.284 4.340 0.001 0.000 0.270 124 Q C -0.329 175.429 176.000 -0.404 0.000 1.237 124 Q CA 0.691 56.296 55.803 -0.330 0.000 0.937 124 Q CB 0.332 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 0.990 121.061 120.200 -0.216 0.000 2.418 125 E HA -0.017 4.333 4.350 0.001 0.000 0.261 125 E C 0.044 176.612 176.600 -0.055 0.000 1.070 125 E CA -0.493 55.837 56.400 -0.117 0.000 0.931 125 E CB 0.631 30.294 29.700 -0.062 0.000 0.954 125 E HN 0.573 nan 8.360 nan 0.000 0.439 126 c N 2.410 121.059 118.600 0.081 0.000 2.767 126 c HA 0.153 4.724 4.570 0.001 0.000 0.353 126 c C -1.728 172.399 174.090 0.062 0.000 1.376 126 c CA -1.130 55.302 56.329 0.173 0.000 2.284 126 c CB -1.297 41.331 42.510 0.197 0.000 2.535 126 c HN 0.617 nan 8.230 nan 0.000 0.745 127 P HA 0.364 nan 4.420 nan 0.000 0.284 127 P C -0.484 176.818 177.300 0.003 0.000 1.253 127 P CA -0.310 62.785 63.100 -0.008 0.000 0.800 127 P CB 0.467 32.138 31.700 -0.049 0.000 0.961 327 S N 1.759 117.482 115.700 0.038 0.000 2.693 327 S HA 0.958 5.429 4.470 0.001 0.000 0.276 327 S C -0.666 173.897 174.600 -0.062 0.000 1.192 327 S CA -0.387 57.863 58.200 0.083 0.000 0.994 327 S CB 0.490 63.703 63.200 0.022 0.000 1.012 327 S HN 0.638 nan 8.310 nan 0.000 0.550 328 F N -0.662 119.318 119.950 0.049 0.000 3.016 328 F HA 0.444 4.971 4.527 0.000 0.000 0.324 328 F C 0.790 176.598 175.800 0.013 0.000 1.196 328 F CA -0.679 57.308 58.000 -0.022 0.000 0.929 328 F CB 1.250 40.186 39.000 -0.107 0.000 1.440 328 F HN 0.493 nan 8.300 nan 0.000 0.505 329 E N -0.305 119.997 120.200 0.170 0.000 3.730 329 E HA 0.393 4.743 4.350 0.001 0.000 0.233 329 E C -0.796 175.696 176.600 -0.180 0.000 1.281 329 E CA 0.130 56.598 56.400 0.114 0.000 1.519 329 E CB 0.915 30.663 29.700 0.080 0.000 2.292 329 E HN 0.376 nan 8.360 nan 0.000 0.655 330 L N 2.173 123.289 121.223 -0.178 0.000 2.613 330 L HA 0.270 4.610 4.340 0.001 0.000 0.275 330 L C 0.043 176.776 176.870 -0.229 0.000 1.453 330 L CA 0.060 54.743 54.840 -0.262 0.000 0.725 330 L CB 1.049 42.964 42.059 -0.241 0.000 1.013 330 L HN 0.022 nan 8.230 nan 0.000 0.520 331 E N 0.592 120.641 120.200 -0.252 0.000 2.206 331 E HA 0.219 4.569 4.350 0.001 0.000 0.195 331 E C 0.659 177.173 176.600 -0.143 0.000 0.935 331 E CA 0.899 57.130 56.400 -0.281 0.000 0.875 331 E CB 0.389 29.666 29.700 -0.704 0.000 0.841 331 E HN 0.356 nan 8.360 nan 0.000 0.477 332 M N 0.005 119.438 119.600 -0.279 0.000 3.074 332 M HA 0.506 4.986 4.480 0.001 0.000 0.252 332 M C 0.182 176.214 176.300 -0.446 0.000 1.181 332 M CA -0.242 54.906 55.300 -0.254 0.000 0.771 332 M CB 1.412 33.901 32.600 -0.185 0.000 1.375 332 M HN 0.045 nan 8.290 nan 0.000 0.512 333 A N -0.118 122.510 122.820 -0.320 0.000 2.267 333 A HA 0.128 4.449 4.320 0.001 0.000 0.213 333 A C 1.053 178.565 177.584 -0.119 0.000 1.192 333 A CA 0.071 51.941 52.037 -0.277 0.000 0.851 333 A CB 0.098 18.948 19.000 -0.250 0.000 0.881 333 A HN 0.729 nan 8.150 nan 0.000 0.494 334 Q N 0.615 120.364 119.800 -0.086 0.000 2.406 334 Q HA -0.224 4.117 4.340 0.001 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 -1.402 27.358 28.738 0.036 0.000 1.216 334 Q HN 0.853 nan 8.270 nan 0.000 0.415 335 E N -0.537 119.648 120.200 -0.026 0.000 2.481 335 E HA 0.104 4.454 4.350 0.001 0.000 0.263 335 E C 1.243 177.855 176.600 0.021 0.000 0.992 335 E CA 1.077 57.484 56.400 0.011 0.000 0.938 335 E CB 0.156 29.808 29.700 -0.080 0.000 0.933 335 E HN 0.520 nan 8.360 nan 0.000 0.453 336 G N 3.709 112.549 108.800 0.065 0.000 2.157 336 G HA2 -0.324 3.636 3.960 0.001 0.000 0.239 336 G HA3 -0.324 3.636 3.960 0.001 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 0.207 4.734 4.527 0.000 0.000 0.301 337 F C 1.380 177.101 175.800 -0.132 0.000 1.077 337 F CA 2.130 60.063 58.000 -0.113 0.000 1.348 337 F CB 0.208 39.126 39.000 -0.138 0.000 1.040 337 F HN 0.716 nan 8.300 nan 0.000 0.509 338 S N -0.428 115.274 115.700 0.005 0.000 2.592 338 S HA 0.782 5.252 4.470 0.001 0.000 0.275 338 S C -0.893 173.712 174.600 0.007 0.000 1.169 338 S CA -0.390 57.776 58.200 -0.057 0.000 0.958 338 S CB 1.083 64.285 63.200 0.003 0.000 1.095 338 S HN 0.482 nan 8.310 nan 0.000 0.471 339 A N 1.838 124.648 122.820 -0.017 0.000 2.454 339 A HA 0.993 5.313 4.320 0.001 0.000 0.302 339 A C -0.863 176.724 177.584 0.005 0.000 1.079 339 A CA -1.007 51.018 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 1.750 121.658 119.914 -0.010 0.000 3.000 340 V HA 0.649 4.769 4.120 0.001 0.000 0.300 340 V C -1.291 174.837 176.094 0.057 0.000 1.251 340 V CA -0.778 61.579 62.300 0.096 0.000 0.972 340 V CB 1.629 33.517 31.823 0.109 0.000 1.065 340 V HN 0.877 nan 8.190 nan 0.000 0.431 341 F N 2.873 122.855 119.950 0.053 0.000 2.234 341 F HA 0.799 5.327 4.527 0.000 0.000 0.292 341 F C 0.836 176.669 175.800 0.055 0.000 1.187 341 F CA 0.749 58.784 58.000 0.059 0.000 1.128 341 F CB 1.326 40.358 39.000 0.053 0.000 1.507 341 F HN 0.650 nan 8.300 nan 0.000 0.512 342 T N -0.760 113.962 114.554 0.280 0.000 3.230 342 T HA 0.170 4.520 4.350 0.001 0.000 0.390 342 T C -2.456 172.334 174.700 0.150 0.000 1.761 342 T CA -1.077 61.125 62.100 0.170 0.000 1.129 342 T CB 0.977 69.917 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 0.144 177.501 177.300 0.095 0.000 1.151 343 P CA 1.621 64.776 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 -1.487 118.973 120.400 0.099 0.000 3.133 344 D HA 0.447 5.087 4.640 0.001 0.000 0.288 344 D C 0.595 176.961 176.300 0.109 0.000 1.346 344 D CA -0.611 53.448 54.000 0.099 0.000 0.934 344 D CB -0.623 40.236 40.800 0.099 0.000 1.042 344 D HN 0.168 nan 8.370 nan 0.000 0.506 345 G N 0.744 109.617 108.800 0.122 0.000 2.712 345 G HA2 -0.123 3.837 3.960 0.001 0.000 0.686 345 G HA3 -0.123 3.837 3.960 0.001 0.000 0.686 345 G C -2.859 172.105 174.900 0.108 0.000 1.321 345 G CA -1.113 44.063 45.100 0.127 0.000 0.813 345 G HN 0.264 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 -0.117 0.000 0.795 346 P CB 0.735 32.263 31.700 -0.286 0.000 1.064 347 V N 0.837 120.727 119.914 -0.040 0.000 2.610 347 V HA 0.180 4.300 4.120 0.001 0.000 0.288 347 V C -0.562 175.554 176.094 0.037 0.000 1.055 347 V CA -0.365 61.952 62.300 0.028 0.000 0.902 347 V CB 1.249 33.075 31.823 0.006 0.000 1.030 347 V HN 0.275 nan 8.190 nan 0.000 0.448 348 L N 3.305 124.607 121.223 0.132 0.000 2.375 348 L HA 0.907 5.248 4.340 0.001 0.000 0.268 348 L C 0.867 177.833 176.870 0.160 0.000 1.058 348 L CA 0.170 55.086 54.840 0.127 0.000 0.803 348 L CB 1.495 43.649 42.059 0.158 0.000 1.212 348 L HN 0.676 nan 8.230 nan 0.000 0.451 349 G N 0.279 109.167 108.800 0.147 0.000 2.416 349 G HA2 0.699 4.659 3.960 0.001 0.000 0.324 349 G HA3 0.699 4.659 3.960 0.001 0.000 0.324 349 G C -1.117 173.898 174.900 0.192 0.000 1.194 349 G CA -0.358 44.839 45.100 0.161 0.000 0.922 349 G HN 0.796 nan 8.290 nan 0.000 0.467 350 A N 1.282 124.239 122.820 0.229 0.000 2.295 350 A HA 0.698 5.019 4.320 0.001 0.000 0.318 350 A C 1.156 178.792 177.584 0.088 0.000 1.134 350 A CA -0.017 52.123 52.037 0.171 0.000 0.827 350 A CB 1.542 20.713 19.000 0.285 0.000 1.136 350 A HN 1.548 nan 8.150 nan 0.000 0.493 351 V N -0.860 119.065 119.914 0.019 0.000 2.911 351 V HA 0.342 4.462 4.120 0.001 0.000 0.237 351 V C 1.416 177.525 176.094 0.024 0.000 1.156 351 V CA 1.135 63.491 62.300 0.092 0.000 1.180 351 V CB -0.743 31.165 31.823 0.141 0.000 0.932 351 V HN 0.998 nan 8.190 nan 0.000 0.483 352 G N 1.305 109.927 108.800 -0.296 0.000 3.424 352 G HA2 0.209 4.169 3.960 0.001 0.000 0.263 352 G HA3 0.209 4.169 3.960 0.001 0.000 0.263 352 G C 0.325 174.745 174.900 -0.800 0.000 1.310 352 G CA 0.219 44.743 45.100 -0.960 0.000 1.089 352 G HN 0.415 nan 8.290 nan 0.000 0.534 353 S N 1.290 116.661 115.700 -0.549 0.000 2.509 353 S HA 0.353 4.823 4.470 0.001 0.000 0.287 353 S C 0.669 174.772 174.600 -0.830 0.000 1.248 353 S CA -0.346 57.294 58.200 -0.934 0.000 1.089 353 S CB -0.065 62.576 63.200 -0.932 0.000 0.900 353 S HN 0.456 nan 8.310 nan 0.000 0.496 354 F N 0.284 120.179 119.950 -0.091 0.000 2.369 354 F HA -0.345 4.182 4.527 0.000 0.000 0.581 354 F C 1.880 177.700 175.800 0.033 0.000 1.044 354 F CA 1.372 59.370 58.000 -0.004 0.000 1.260 354 F CB -2.174 36.837 39.000 0.019 0.000 2.263 354 F HN 0.531 nan 8.300 nan 0.000 0.231 355 T N -3.117 111.632 114.554 0.325 0.000 3.535 355 T HA 0.284 4.635 4.350 0.001 0.000 0.238 355 T C -0.163 174.721 174.700 0.307 0.000 0.909 355 T CA 0.444 62.715 62.100 0.285 0.000 0.928 355 T CB -1.566 67.433 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 -0.301 4.359 4.660 0.001 0.000 0.364 356 W C 1.831 178.298 176.519 -0.088 0.000 1.342 356 W CA 0.537 57.819 57.345 -0.105 0.000 0.899 356 W CB -2.419 26.929 29.460 -0.186 0.000 2.450 356 W HN 0.536 nan 8.180 nan 0.000 1.508 357 S N -0.175 115.609 115.700 0.140 0.000 2.344 357 S HA 0.271 4.742 4.470 0.001 0.000 0.217 357 S C 1.451 176.112 174.600 0.102 0.000 1.033 357 S CA 2.633 60.918 58.200 0.142 0.000 1.017 357 S CB -0.377 62.971 63.200 0.247 0.000 0.941 357 S HN 1.371 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 4.416 3.960 0.001 0.000 0.682 358 G HA3 0.456 4.416 3.960 0.001 0.000 0.682 358 G C -0.044 174.860 174.900 0.006 0.000 1.303 358 G CA -0.494 44.632 45.100 0.042 0.000 0.966 358 G HN 1.573 nan 8.290 nan 0.000 0.560 359 G N -1.684 107.094 108.800 -0.038 0.000 2.344 359 G HA2 0.821 4.782 3.960 0.001 0.000 0.282 359 G HA3 0.821 4.782 3.960 0.001 0.000 0.282 359 G C -0.760 174.005 174.900 -0.224 0.000 1.281 359 G CA 1.151 46.063 45.100 -0.314 0.000 0.877 359 G HN 2.718 nan 8.290 nan 0.000 0.494 360 A N -0.992 121.528 122.820 -0.501 0.000 2.513 360 A HA 0.720 5.040 4.320 0.001 0.000 0.296 360 A C -1.629 175.812 177.584 -0.238 0.000 1.052 360 A CA -0.561 51.370 52.037 -0.178 0.000 0.714 360 A CB 0.865 19.771 19.000 -0.157 0.000 1.279 360 A HN 1.046 nan 8.150 nan 0.000 0.397 361 F N 1.992 121.968 119.950 0.043 0.000 2.404 361 F HA 0.466 4.993 4.527 0.000 0.000 0.358 361 F C 0.400 175.949 175.800 -0.418 0.000 1.120 361 F CA -0.145 57.789 58.000 -0.110 0.000 1.144 361 F CB 1.405 40.296 39.000 -0.182 0.000 1.133 361 F HN 0.568 nan 8.300 nan 0.000 0.495 362 L N 5.192 126.235 121.223 -0.300 0.000 2.292 362 L HA 0.418 4.759 4.340 0.001 0.000 0.284 362 L C -1.396 175.213 176.870 -0.435 0.000 1.065 362 L CA -0.653 54.027 54.840 -0.268 0.000 0.806 362 L CB 0.611 42.597 42.059 -0.121 0.000 1.175 362 L HN 0.499 nan 8.230 nan 0.000 0.431 363 Y N 5.509 125.829 120.300 0.033 0.000 2.478 363 Y HA 0.434 4.984 4.550 0.000 0.000 0.329 363 Y C -2.115 173.799 175.900 0.023 0.000 0.967 363 Y CA -2.433 55.679 58.100 0.019 0.000 1.255 363 Y CB 0.605 39.059 38.460 -0.009 0.000 1.103 363 Y HN 0.538 nan 8.280 nan 0.000 0.497 364 P HA 0.060 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 -0.787 30.948 31.700 0.059 0.000 1.937 366 N N -0.119 118.613 118.700 0.054 0.000 2.929 366 N HA -0.173 4.568 4.740 0.001 0.000 0.234 366 N C 0.193 175.726 175.510 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 1.595 121.223 119.600 0.047 0.000 2.243 367 M HA 0.143 4.623 4.480 0.001 0.000 0.341 367 M C 0.613 176.942 176.300 0.048 0.000 1.130 367 M CA -0.087 55.237 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 4.880 120.599 115.700 0.032 0.000 2.558 368 S HA 0.317 4.787 4.470 0.001 0.000 0.288 368 S C -2.406 172.209 174.600 0.026 0.000 1.318 368 S CA -1.090 57.131 58.200 0.035 0.000 1.056 368 S CB -0.382 62.824 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 0.279 177.523 177.300 -0.095 0.000 1.252 369 P CA -0.411 62.658 63.100 -0.051 0.000 0.802 369 P CB 0.755 32.361 31.700 -0.157 0.000 1.035 370 T N -2.012 112.440 114.554 -0.170 0.000 2.855 370 T HA 0.748 5.099 4.350 0.001 0.000 0.275 370 T C -1.002 173.596 174.700 -0.170 0.000 1.022 370 T CA -0.561 61.410 62.100 -0.214 0.000 0.977 370 T CB 0.899 69.531 68.868 -0.394 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 -0.481 0.000 2.690 371 F HA 0.543 5.070 4.527 0.000 0.000 0.311 371 F C -2.129 173.356 175.800 -0.525 0.000 1.111 371 F CA -1.436 56.168 58.000 -0.660 0.000 1.003 371 F CB 1.328 39.753 39.000 -0.959 0.000 1.283 371 F HN 0.798 nan 8.300 nan 0.000 0.442 372 I N 3.795 123.489 120.570 -1.460 0.000 2.466 372 I HA 0.521 4.691 4.170 0.001 0.000 0.279 372 I C -0.961 174.370 176.117 -1.310 0.000 1.033 372 I CA -0.607 60.029 61.300 -1.107 0.000 1.123 372 I CB 1.093 38.599 38.000 -0.824 0.000 1.237 372 I HN 0.583 nan 8.210 nan 0.000 0.460 373 N N 5.930 124.109 118.700 -0.869 0.000 2.547 373 N HA 0.433 5.173 4.740 0.001 0.000 0.301 373 N C 0.277 175.648 175.510 -0.232 0.000 1.328 373 N CA -0.547 52.285 53.050 -0.364 0.000 0.932 373 N CB 0.341 38.974 38.487 0.242 0.000 1.104 373 N HN 0.513 nan 8.380 nan 0.000 0.548 374 M N -0.474 119.115 119.600 -0.017 0.000 2.405 374 M HA 0.212 4.693 4.480 0.001 0.000 0.292 374 M C -0.333 175.985 176.300 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 0.925 nan 8.290 nan 0.000 0.509 375 S N -0.092 115.603 115.700 -0.009 0.000 3.832 375 S HA -0.228 4.242 4.470 0.001 0.000 0.719 375 S C 0.280 174.851 174.600 -0.048 0.000 1.382 375 S CA 0.724 58.900 58.200 -0.040 0.000 1.406 375 S CB -0.358 62.832 63.200 -0.016 0.000 0.425 375 S HN 0.609 nan 8.310 nan 0.000 0.834 376 Q N 0.344 120.093 119.800 -0.085 0.000 2.339 376 Q HA 0.091 4.431 4.340 0.001 0.000 0.205 376 Q C 1.856 177.838 176.000 -0.030 0.000 0.925 376 Q CA 0.750 56.505 55.803 -0.079 0.000 0.898 376 Q CB -0.153 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 0.825 121.011 120.200 -0.022 0.000 2.393 377 E HA -0.169 4.181 4.350 0.001 0.000 0.201 377 E C 0.103 176.712 176.600 0.015 0.000 1.025 377 E CA 0.302 56.701 56.400 -0.003 0.000 0.856 377 E CB -0.082 29.619 29.700 0.001 0.000 0.771 377 E HN 0.139 nan 8.360 nan 0.000 0.526 378 N N 0.450 119.164 118.700 0.022 0.000 2.555 378 N HA -0.030 4.711 4.740 0.001 0.000 0.244 378 N C 0.898 176.436 175.510 0.047 0.000 1.114 378 N CA -0.121 52.957 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 -0.067 119.870 119.914 0.039 0.000 2.392 379 V HA -0.168 3.952 4.120 0.001 0.000 0.249 379 V C 0.992 177.105 176.094 0.031 0.000 1.059 379 V CA 1.491 63.808 62.300 0.029 0.000 1.051 379 V CB -0.890 30.946 31.823 0.021 0.000 0.658 379 V HN 0.611 nan 8.190 nan 0.000 0.455 380 D N -0.346 120.081 120.400 0.044 0.000 2.376 380 D HA 0.177 4.818 4.640 0.001 0.000 0.281 380 D C 1.001 177.328 176.300 0.045 0.000 1.215 380 D CA -0.153 53.855 54.000 0.014 0.000 1.062 380 D CB 0.102 40.919 40.800 0.028 0.000 1.124 380 D HN 0.273 nan 8.370 nan 0.000 0.550 381 M N -2.705 116.904 119.600 0.015 0.000 2.921 381 M HA -0.213 4.267 4.480 0.001 0.000 0.206 381 M C -1.071 175.242 176.300 0.022 0.000 0.574 381 M CA 0.470 55.831 55.300 0.101 0.000 0.746 381 M CB -0.942 31.773 32.600 0.191 0.000 2.693 381 M HN 0.400 nan 8.290 nan 0.000 0.439 382 R N 1.968 122.440 120.500 -0.047 0.000 2.316 382 R HA 0.199 4.540 4.340 0.001 0.000 0.314 382 R C -0.089 176.126 176.300 -0.141 0.000 1.069 382 R CA 0.212 56.290 56.100 -0.038 0.000 0.959 382 R CB 0.219 30.502 30.300 -0.030 0.000 0.987 382 R HN 0.348 nan 8.270 nan 0.000 0.446 383 D N 1.840 122.166 120.400 -0.124 0.000 3.187 383 D HA -0.119 4.521 4.640 0.001 0.000 0.244 383 D C 0.142 176.176 176.300 -0.444 0.000 1.114 383 D CA 1.483 55.279 54.000 -0.340 0.000 0.920 383 D CB -0.903 39.671 40.800 -0.376 0.000 0.970 383 D HN 0.726 nan 8.370 nan 0.000 0.418 384 S N -0.767 114.726 115.700 -0.345 0.000 2.728 384 S HA 0.087 4.558 4.470 0.001 0.000 0.257 384 S C 0.613 175.160 174.600 -0.087 0.000 1.060 384 S CA -0.285 57.786 58.200 -0.215 0.000 1.126 384 S CB 0.226 63.419 63.200 -0.010 0.000 1.099 384 S HN 0.281 nan 8.310 nan 0.000 0.617 385 Y N 0.772 121.109 120.300 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 -2.525 35.992 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 0.380 4.720 4.340 0.001 0.000 0.273 386 L C 1.198 178.159 176.870 0.152 0.000 1.156 386 L CA 1.664 56.596 54.840 0.154 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 3.195 112.103 108.800 0.180 0.000 2.183 387 G HA2 -0.334 3.626 3.960 0.001 0.000 0.168 387 G HA3 -0.334 3.626 3.960 0.001 0.000 0.168 387 G C 0.508 175.561 174.900 0.255 0.000 1.008 387 G CA 0.201 45.404 45.100 0.171 0.000 0.677 387 G HN 0.712 nan 8.290 nan 0.000 0.498 388 Y N 2.337 122.744 120.300 0.178 0.000 2.207 388 Y HA 0.130 4.681 4.550 0.001 0.000 0.287 388 Y C 1.640 177.772 175.900 0.386 0.000 1.156 388 Y CA 2.398 60.668 58.100 0.284 0.000 1.182 388 Y CB 0.169 38.755 38.460 0.211 0.000 0.979 388 Y HN 0.672 nan 8.280 nan 0.000 0.521 389 S N -0.612 115.331 115.700 0.404 0.000 2.536 389 S HA 0.666 5.137 4.470 0.001 0.000 0.287 389 S C -0.587 174.099 174.600 0.145 0.000 1.101 389 S CA -0.203 58.138 58.200 0.236 0.000 0.950 389 S CB 2.151 65.494 63.200 0.240 0.000 1.056 389 S HN 0.323 nan 8.310 nan 0.000 0.481 390 T N -0.984 113.626 114.554 0.093 0.000 2.912 390 T HA 0.818 5.168 4.350 0.001 0.000 0.299 390 T C -1.106 173.626 174.700 0.052 0.000 1.052 390 T CA -0.503 61.638 62.100 0.068 0.000 0.996 390 T CB 1.866 70.772 68.868 0.063 0.000 1.070 390 T HN 0.779 nan 8.240 nan 0.000 0.465 391 E N 1.006 121.231 120.200 0.043 0.000 2.392 391 E HA 0.619 4.969 4.350 0.001 0.000 0.279 391 E C -1.676 174.947 176.600 0.038 0.000 0.964 391 E CA -0.864 55.561 56.400 0.042 0.000 0.777 391 E CB 1.796 31.514 29.700 0.029 0.000 1.249 391 E HN 0.682 nan 8.360 nan 0.000 0.449 392 L N 2.092 123.346 121.223 0.052 0.000 2.479 392 L HA 0.826 5.166 4.340 0.001 0.000 0.249 392 L C -0.349 176.543 176.870 0.036 0.000 1.178 392 L CA 0.478 55.349 54.840 0.052 0.000 0.811 392 L CB 1.361 43.466 42.059 0.077 0.000 1.187 392 L HN 0.675 nan 8.230 nan 0.000 0.480 393 A N 3.368 126.210 122.820 0.038 0.000 3.368 393 A HA 0.286 4.606 4.320 0.001 0.000 0.211 393 A C -0.434 177.199 177.584 0.082 0.000 1.004 393 A CA -0.470 51.589 52.037 0.037 0.000 1.059 393 A CB -0.634 18.354 19.000 -0.020 0.000 1.298 393 A HN 0.691 nan 8.150 nan 0.000 0.613 394 L N 0.284 121.567 121.223 0.100 0.000 2.536 394 L HA 0.263 4.603 4.340 0.001 0.000 0.294 394 L C -0.074 176.938 176.870 0.235 0.000 1.257 394 L CA 0.844 55.763 54.840 0.132 0.000 0.850 394 L CB 0.363 42.477 42.059 0.092 0.000 1.105 394 L HN 0.649 nan 8.230 nan 0.000 0.517 395 W N 3.998 125.299 121.300 0.002 0.000 3.074 395 W HA 0.262 4.922 4.660 0.001 0.000 0.332 395 W C 0.571 177.092 176.519 0.003 0.000 1.253 395 W CA -0.896 56.450 57.345 0.003 0.000 1.180 395 W CB 1.078 30.539 29.460 0.002 0.000 1.445 395 W HN 0.577 nan 8.180 nan 0.000 0.573 396 K N 0.921 120.708 120.400 -1.021 0.000 2.228 396 K HA -0.112 4.208 4.320 0.001 0.000 0.205 396 K C 1.050 177.280 176.600 -0.617 0.000 1.045 396 K CA 2.160 57.921 56.287 -0.876 0.000 0.931 396 K CB -0.464 31.354 32.500 -1.137 0.000 0.727 396 K HN 0.596 nan 8.250 nan 0.000 0.458 397 G N 0.102 108.585 108.800 -0.528 0.000 3.329 397 G HA2 0.257 4.217 3.960 0.001 0.000 0.180 397 G HA3 0.257 4.217 3.960 0.001 0.000 0.180 397 G C -0.065 174.914 174.900 0.133 0.000 1.640 397 G CA 0.098 45.195 45.100 -0.005 0.000 1.018 397 G HN 0.163 nan 8.290 nan 0.000 0.581 398 V N -1.560 118.490 119.914 0.226 0.000 3.170 398 V HA 0.585 4.706 4.120 0.001 0.000 0.309 398 V C -0.006 176.177 176.094 0.148 0.000 1.071 398 V CA -0.890 61.487 62.300 0.129 0.000 1.063 398 V CB 1.004 32.867 31.823 0.067 0.000 1.123 398 V HN 0.549 nan 8.190 nan 0.000 0.464 399 Q N 0.957 120.806 119.800 0.082 0.000 2.500 399 Q HA 0.613 4.953 4.340 0.001 0.000 0.215 399 Q C -0.287 175.732 176.000 0.033 0.000 1.062 399 Q CA 0.150 55.997 55.803 0.073 0.000 0.996 399 Q CB 0.805 29.578 28.738 0.059 0.000 1.239 399 Q HN 0.958 nan 8.270 nan 0.000 0.578 400 S N -0.164 115.544 115.700 0.015 0.000 2.566 400 S HA 0.461 4.931 4.470 0.001 0.000 0.273 400 S C -1.160 173.423 174.600 -0.029 0.000 1.157 400 S CA -0.727 57.448 58.200 -0.042 0.000 0.938 400 S CB 0.698 63.835 63.200 -0.104 0.000 1.087 400 S HN 0.377 nan 8.310 nan 0.000 0.474 401 L N 2.175 123.390 121.223 -0.013 0.000 2.431 401 L HA 0.811 5.151 4.340 0.001 0.000 0.260 401 L C -0.738 176.133 176.870 0.003 0.000 1.098 401 L CA -0.867 53.982 54.840 0.016 0.000 0.800 401 L CB 1.202 43.284 42.059 0.039 0.000 1.210 401 L HN 0.355 nan 8.230 nan 0.000 0.465 402 V N 2.112 122.036 119.914 0.017 0.000 2.777 402 V HA 0.437 4.558 4.120 0.001 0.000 0.306 402 V C -0.625 175.494 176.094 0.042 0.000 1.112 402 V CA -0.487 61.803 62.300 -0.017 0.000 0.917 402 V CB 2.178 33.951 31.823 -0.084 0.000 1.018 402 V HN 0.467 nan 8.190 nan 0.000 0.426 403 L N 3.148 124.414 121.223 0.072 0.000 2.362 403 L HA 0.870 5.211 4.340 0.001 0.000 0.271 403 L C 0.555 177.467 176.870 0.069 0.000 1.002 403 L CA -0.689 54.213 54.840 0.104 0.000 0.818 403 L CB 2.133 44.294 42.059 0.169 0.000 1.298 403 L HN 0.761 nan 8.230 nan 0.000 0.420 404 G N 1.086 109.947 108.800 0.100 0.000 2.322 404 G HA2 0.588 4.548 3.960 0.001 0.000 0.309 404 G HA3 0.588 4.548 3.960 0.001 0.000 0.309 404 G C -0.432 174.526 174.900 0.098 0.000 1.121 404 G CA -0.316 44.827 45.100 0.071 0.000 0.886 404 G HN 0.723 nan 8.290 nan 0.000 0.447 405 A N 4.823 127.663 122.820 0.035 0.000 2.938 405 A HA 0.652 4.972 4.320 0.001 0.000 0.344 405 A C -1.429 176.124 177.584 -0.051 0.000 1.142 405 A CA -1.322 50.739 52.037 0.041 0.000 0.841 405 A CB 1.224 20.267 19.000 0.072 0.000 1.083 405 A HN 0.408 nan 8.150 nan 0.000 0.479 406 P HA -0.168 nan 4.420 nan 0.000 0.217 406 P C 0.548 177.613 177.300 -0.391 0.000 1.148 406 P CA 1.360 64.107 63.100 -0.589 0.000 0.834 406 P CB 0.130 30.982 31.700 -1.414 0.000 0.783 407 R N -2.303 118.063 120.500 -0.222 0.000 2.903 407 R HA 0.199 4.540 4.340 0.001 0.000 0.363 407 R C -0.508 175.693 176.300 -0.165 0.000 1.161 407 R CA -0.584 55.402 56.100 -0.190 0.000 1.109 407 R CB -0.292 29.866 30.300 -0.236 0.000 1.399 407 R HN 0.142 nan 8.270 nan 0.000 0.587 408 Y N 2.170 122.379 120.300 -0.151 0.000 2.531 408 Y HA -0.038 4.512 4.550 0.001 0.000 0.347 408 Y C 0.486 176.327 175.900 -0.100 0.000 1.024 408 Y CA 0.395 58.425 58.100 -0.116 0.000 1.306 408 Y CB 0.210 38.642 38.460 -0.048 0.000 1.149 408 Y HN 0.403 nan 8.280 nan 0.000 0.527 409 Q N 5.670 125.129 119.800 -0.569 0.000 2.494 409 Q HA -0.349 3.991 4.340 0.001 0.000 0.266 409 Q C 0.059 176.034 176.000 -0.042 0.000 1.053 409 Q CA 1.146 56.745 55.803 -0.340 0.000 1.029 409 Q CB -1.560 26.987 28.738 -0.318 0.000 1.423 409 Q HN 1.126 nan 8.270 nan 0.000 0.516 410 H N -4.151 114.862 119.070 -0.094 0.000 3.415 410 H HA -0.216 4.341 4.556 0.001 0.000 0.213 410 H C 1.367 176.696 175.328 0.001 0.000 1.091 410 H CA 1.823 57.842 56.048 -0.048 0.000 1.182 410 H CB -1.854 27.883 29.762 -0.042 0.000 1.160 410 H HN 0.743 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 4.830 4.350 0.001 0.000 0.235 411 T C 1.204 175.966 174.700 0.103 0.000 0.991 411 T CA 0.910 63.077 62.100 0.112 0.000 1.220 411 T CB 1.442 70.373 68.868 0.105 0.000 0.909 411 T HN 1.080 nan 8.240 nan 0.000 0.424 412 G N 1.113 109.994 108.800 0.134 0.000 2.944 412 G HA2 0.305 4.265 3.960 0.001 0.000 0.471 412 G HA3 0.305 4.265 3.960 0.001 0.000 0.471 412 G C -1.164 173.891 174.900 0.258 0.000 1.388 412 G CA -0.536 44.649 45.100 0.142 0.000 1.087 412 G HN 0.618 nan 8.290 nan 0.000 0.596 413 K N 1.045 121.553 120.400 0.180 0.000 2.395 413 K HA 0.909 5.229 4.320 0.001 0.000 0.247 413 K C -0.182 176.471 176.600 0.087 0.000 0.973 413 K CA -0.410 55.946 56.287 0.116 0.000 0.828 413 K CB 2.180 34.499 32.500 -0.302 0.000 1.272 413 K HN 1.458 nan 8.250 nan 0.000 0.439 414 A N 2.457 125.353 122.820 0.127 0.000 2.330 414 A HA 0.609 4.929 4.320 0.001 0.000 0.313 414 A C -1.371 176.159 177.584 -0.090 0.000 1.124 414 A CA -0.690 51.356 52.037 0.014 0.000 0.774 414 A CB 1.368 20.380 19.000 0.020 0.000 1.198 414 A HN 0.375 nan 8.150 nan 0.000 0.465 415 V N 3.789 123.579 119.914 -0.206 0.000 2.540 415 V HA 0.444 4.565 4.120 0.001 0.000 0.302 415 V C -0.323 175.388 176.094 -0.638 0.000 1.035 415 V CA -0.285 61.741 62.300 -0.456 0.000 0.873 415 V CB 1.532 33.058 31.823 -0.495 0.000 0.992 415 V HN 0.768 nan 8.190 nan 0.000 0.428 416 I N 4.446 124.513 120.570 -0.838 0.000 2.412 416 I HA 0.529 4.700 4.170 0.001 0.000 0.296 416 I C -0.899 174.673 176.117 -0.909 0.000 0.987 416 I CA -0.192 60.650 61.300 -0.764 0.000 1.180 416 I CB 1.380 38.874 38.000 -0.845 0.000 1.340 416 I HN 0.412 nan 8.210 nan 0.000 0.455 417 F N 2.783 122.525 119.950 -0.348 0.000 2.522 417 F HA 0.512 5.040 4.527 0.001 0.000 0.324 417 F C 0.513 176.107 175.800 -0.343 0.000 1.077 417 F CA -0.651 57.147 58.000 -0.336 0.000 0.944 417 F CB 2.186 41.047 39.000 -0.233 0.000 1.175 417 F HN 0.284 nan 8.300 nan 0.000 0.468 418 T N 1.051 115.467 114.554 -0.230 0.000 2.932 418 T HA 0.380 4.730 4.350 0.001 0.000 0.289 418 T C -0.793 173.771 174.700 -0.225 0.000 1.039 418 T CA -0.527 61.419 62.100 -0.257 0.000 1.024 418 T CB 1.191 69.816 68.868 -0.405 0.000 1.090 418 T HN 0.668 nan 8.240 nan 0.000 0.496 419 Q N 2.833 122.451 119.800 -0.303 0.000 2.851 419 Q HA 0.358 4.699 4.340 0.001 0.000 0.331 419 Q C -0.439 175.080 176.000 -0.803 0.000 0.979 419 Q CA -0.491 54.865 55.803 -0.746 0.000 0.955 419 Q CB 1.146 29.491 28.738 -0.655 0.000 1.298 419 Q HN 0.459 nan 8.270 nan 0.000 0.432 420 V N 1.049 120.664 119.914 -0.498 0.000 2.963 420 V HA -0.035 4.085 4.120 0.001 0.000 0.306 420 V C 0.931 176.712 176.094 -0.522 0.000 1.077 420 V CA -0.000 62.116 62.300 -0.306 0.000 1.124 420 V CB 1.543 33.364 31.823 -0.002 0.000 0.987 420 V HN 0.594 nan 8.190 nan 0.000 0.487 421 S N 4.529 120.049 115.700 -0.299 0.000 2.670 421 S HA 0.021 4.491 4.470 0.001 0.000 0.308 421 S C 0.870 175.420 174.600 -0.084 0.000 1.232 421 S CA 0.111 58.184 58.200 -0.211 0.000 1.126 421 S CB -0.886 62.274 63.200 -0.068 0.000 0.897 421 S HN 0.773 nan 8.310 nan 0.000 0.508 422 R N 2.695 123.242 120.500 0.079 0.000 3.336 422 R HA -0.157 4.183 4.340 0.001 0.000 0.260 422 R C 0.198 176.667 176.300 0.282 0.000 1.032 422 R CA 0.830 57.147 56.100 0.363 0.000 0.693 422 R CB -1.553 28.867 30.300 0.200 0.000 1.134 422 R HN 0.724 nan 8.270 nan 0.000 0.433 423 Q N -1.444 118.541 119.800 0.309 0.000 1.958 423 Q HA 0.053 4.393 4.340 0.001 0.000 0.154 423 Q C 0.219 176.457 176.000 0.397 0.000 0.549 423 Q CA 0.249 56.198 55.803 0.243 0.000 0.824 423 Q CB 0.164 28.959 28.738 0.095 0.000 1.031 423 Q HN 0.445 nan 8.270 nan 0.000 0.312 424 W N 2.920 124.219 121.300 -0.001 0.000 5.721 424 W HA -0.224 4.436 4.660 0.000 0.000 0.406 424 W C 0.107 176.588 176.519 -0.064 0.000 1.576 424 W CA 0.536 57.847 57.345 -0.056 0.000 0.977 424 W CB -1.352 28.051 29.460 -0.096 0.000 2.771 424 W HN 0.197 nan 8.180 nan 0.000 1.435 425 R N 0.039 120.577 120.500 0.064 0.000 2.603 425 R HA 0.656 4.997 4.340 0.001 0.000 0.231 425 R C 0.615 176.883 176.300 -0.053 0.000 1.263 425 R CA -1.101 55.015 56.100 0.027 0.000 1.102 425 R CB 0.674 30.993 30.300 0.032 0.000 1.527 425 R HN 0.094 nan 8.270 nan 0.000 0.554 426 M N 1.321 120.856 119.600 -0.108 0.000 2.233 426 M HA 0.146 4.626 4.480 0.001 0.000 0.355 426 M C 0.136 176.054 176.300 -0.638 0.000 1.191 426 M CA 0.071 55.187 55.300 -0.306 0.000 1.101 426 M CB 1.134 33.574 32.600 -0.268 0.000 1.592 426 M HN 0.412 nan 8.290 nan 0.000 0.461 427 K N 3.163 123.061 120.400 -0.838 0.000 1.991 427 K HA 0.300 4.620 4.320 0.001 0.000 0.208 427 K C 0.466 176.711 176.600 -0.591 0.000 1.038 427 K CA 1.059 56.722 56.287 -1.040 0.000 0.943 427 K CB 0.056 31.979 32.500 -0.962 0.000 0.736 427 K HN 0.793 nan 8.250 nan 0.000 0.440 428 A N 0.593 123.062 122.820 -0.586 0.000 2.573 428 A HA 0.466 4.787 4.320 0.001 0.000 0.310 428 A C -1.725 175.600 177.584 -0.433 0.000 1.142 428 A CA -0.772 51.041 52.037 -0.373 0.000 0.620 428 A CB 1.093 19.971 19.000 -0.203 0.000 1.382 428 A HN 0.298 nan 8.150 nan 0.000 0.545 429 E N -1.752 118.344 120.200 -0.172 0.000 2.417 429 E HA 0.556 4.907 4.350 0.001 0.000 0.280 429 E C -1.457 175.250 176.600 0.178 0.000 1.112 429 E CA -0.693 55.647 56.400 -0.101 0.000 0.863 429 E CB 1.427 31.000 29.700 -0.213 0.000 1.346 429 E HN 1.879 nan 8.360 nan 0.000 0.443 430 V N -1.703 118.318 119.914 0.178 0.000 2.752 430 V HA 0.583 4.703 4.120 0.001 0.000 0.302 430 V C 0.202 176.296 176.094 -0.001 0.000 1.133 430 V CA -0.219 62.155 62.300 0.123 0.000 0.919 430 V CB 0.736 32.666 31.823 0.178 0.000 1.026 430 V HN 0.988 nan 8.190 nan 0.000 0.429 431 T N 2.416 116.907 114.554 -0.106 0.000 2.680 431 T HA 0.531 4.881 4.350 0.001 0.000 0.314 431 T C 0.852 175.386 174.700 -0.276 0.000 1.045 431 T CA 0.437 62.454 62.100 -0.138 0.000 1.025 431 T CB 0.594 69.420 68.868 -0.069 0.000 1.000 431 T HN 1.714 nan 8.240 nan 0.000 0.535 432 G N -1.212 107.463 108.800 -0.210 0.000 2.588 432 G HA2 0.423 4.384 3.960 0.001 0.000 0.281 432 G HA3 0.423 4.384 3.960 0.001 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 -0.427 0.000 0.969 432 G HN 0.859 nan 8.290 nan 0.000 0.504 433 T N -2.049 112.232 114.554 -0.456 0.000 3.039 433 T HA 0.174 4.524 4.350 0.001 0.000 0.250 433 T C 0.757 175.384 174.700 -0.121 0.000 1.052 433 T CA 0.990 62.894 62.100 -0.327 0.000 1.125 433 T CB -0.243 68.340 68.868 -0.475 0.000 0.908 433 T HN 0.558 nan 8.240 nan 0.000 0.473 434 Q N 0.174 119.942 119.800 -0.053 0.000 2.416 434 Q HA 0.462 4.802 4.340 0.001 0.000 0.281 434 Q C -1.441 174.621 176.000 0.103 0.000 1.067 434 Q CA -0.861 54.995 55.803 0.089 0.000 0.809 434 Q CB 2.066 30.983 28.738 0.297 0.000 1.418 434 Q HN 0.416 nan 8.270 nan 0.000 0.411 435 I N 2.527 123.154 120.570 0.094 0.000 2.533 435 I HA 0.257 4.427 4.170 0.001 0.000 0.284 435 I C 0.974 177.183 176.117 0.154 0.000 1.109 435 I CA 1.918 63.282 61.300 0.108 0.000 1.412 435 I CB 0.146 38.191 38.000 0.074 0.000 1.396 435 I HN 1.030 nan 8.210 nan 0.000 0.543 436 G N 4.095 113.002 108.800 0.178 0.000 2.234 436 G HA2 -0.397 3.563 3.960 0.001 0.000 0.260 436 G HA3 -0.397 3.563 3.960 0.001 0.000 0.260 436 G C 1.078 176.174 174.900 0.326 0.000 0.987 436 G CA 0.809 46.047 45.100 0.230 0.000 0.625 436 G HN 0.932 nan 8.290 nan 0.000 0.532 437 S N -1.066 114.825 115.700 0.318 0.000 2.402 437 S HA -0.138 4.332 4.470 0.001 0.000 0.233 437 S C 1.293 176.144 174.600 0.419 0.000 1.030 437 S CA 1.826 60.263 58.200 0.395 0.000 1.003 437 S CB -0.296 63.062 63.200 0.265 0.000 0.813 437 S HN 1.861 nan 8.310 nan 0.000 0.477 438 Y N -0.834 119.577 120.300 0.185 0.000 3.994 438 Y HA -0.220 4.330 4.550 0.001 0.000 0.236 438 Y C -0.112 175.841 175.900 0.089 0.000 1.272 438 Y CA 0.008 58.186 58.100 0.131 0.000 1.940 438 Y CB -2.151 36.404 38.460 0.158 0.000 1.599 438 Y HN 0.471 nan 8.280 nan 0.000 0.686 439 F N 1.590 121.553 119.950 0.021 0.000 2.504 439 F HA 0.399 4.926 4.527 0.001 0.000 0.365 439 F C 1.116 176.892 175.800 -0.040 0.000 1.140 439 F CA 1.791 59.772 58.000 -0.032 0.000 1.077 439 F CB 0.172 39.119 39.000 -0.089 0.000 1.106 439 F HN 0.334 nan 8.300 nan 0.000 0.578 440 G N 3.186 111.759 108.800 -0.378 0.000 3.254 440 G HA2 -0.090 3.871 3.960 0.001 0.000 0.219 440 G HA3 -0.090 3.871 3.960 0.001 0.000 0.219 440 G C 1.076 175.920 174.900 -0.093 0.000 0.964 440 G CA 0.005 44.935 45.100 -0.282 0.000 0.823 440 G HN 0.995 nan 8.290 nan 0.000 0.579 441 A N 0.697 123.538 122.820 0.034 0.000 1.863 441 A HA 0.221 4.542 4.320 0.001 0.000 0.218 441 A C 1.609 179.273 177.584 0.132 0.000 1.233 441 A CA 2.505 54.639 52.037 0.163 0.000 0.655 441 A CB -0.681 18.410 19.000 0.151 0.000 0.839 441 A HN 1.105 nan 8.150 nan 0.000 0.454 442 S N -1.861 113.843 115.700 0.006 0.000 2.578 442 S HA 0.731 5.201 4.470 0.001 0.000 0.301 442 S C -0.962 173.601 174.600 -0.062 0.000 1.091 442 S CA -0.436 57.759 58.200 -0.008 0.000 1.032 442 S CB 1.559 64.726 63.200 -0.055 0.000 1.064 442 S HN 0.335 nan 8.310 nan 0.000 0.508 443 L N 1.137 122.341 121.223 -0.033 0.000 2.472 443 L HA 0.622 4.963 4.340 0.001 0.000 0.260 443 L C -1.271 175.587 176.870 -0.021 0.000 0.963 443 L CA -0.282 54.532 54.840 -0.044 0.000 0.829 443 L CB 2.138 44.178 42.059 -0.031 0.000 1.348 443 L HN 0.841 nan 8.230 nan 0.000 0.408 444 C N 1.950 121.237 119.300 -0.022 0.000 2.620 444 C HA 0.662 5.123 4.460 0.001 0.000 0.356 444 C C -0.199 174.796 174.990 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 28.324 27.740 -0.015 0.000 1.836 444 C HN 0.861 nan 8.230 nan 0.000 0.453 445 S N 4.903 120.615 115.700 0.020 0.000 2.455 445 S HA 0.593 5.063 4.470 0.001 0.000 0.278 445 S C -0.299 174.322 174.600 0.036 0.000 1.216 445 S CA -0.413 57.806 58.200 0.031 0.000 1.055 445 S CB 1.168 64.388 63.200 0.034 0.000 0.939 445 S HN 1.092 nan 8.310 nan 0.000 0.494 446 V N 1.889 121.827 119.914 0.039 0.000 3.113 446 V HA 0.586 4.707 4.120 0.001 0.000 0.316 446 V C -1.284 174.843 176.094 0.055 0.000 1.125 446 V CA -0.877 61.449 62.300 0.043 0.000 1.026 446 V CB 2.234 34.078 31.823 0.037 0.000 1.080 446 V HN 1.008 nan 8.190 nan 0.000 0.444 447 D N 2.677 123.112 120.400 0.059 0.000 2.404 447 D HA 0.148 4.789 4.640 0.001 0.000 0.267 447 D C 0.791 177.133 176.300 0.071 0.000 1.194 447 D CA 0.002 54.042 54.000 0.066 0.000 0.910 447 D CB 1.541 42.378 40.800 0.062 0.000 1.090 447 D HN 0.323 nan 8.370 nan 0.000 0.511 448 V N 3.453 123.412 119.914 0.075 0.000 2.363 448 V HA -0.296 3.824 4.120 0.001 0.000 0.254 448 V C 0.823 176.967 176.094 0.083 0.000 1.074 448 V CA 2.916 65.265 62.300 0.082 0.000 1.069 448 V CB -0.056 31.816 31.823 0.082 0.000 0.659 448 V HN 0.684 nan 8.190 nan 0.000 0.455 449 D N -1.769 118.676 120.400 0.076 0.000 2.540 449 D HA 0.277 4.917 4.640 0.001 0.000 0.229 449 D C 0.496 176.833 176.300 0.062 0.000 1.258 449 D CA 0.428 54.471 54.000 0.070 0.000 1.158 449 D CB 0.599 41.439 40.800 0.066 0.000 1.178 449 D HN 0.132 nan 8.370 nan 0.000 0.541 450 S N -0.996 114.735 115.700 0.053 0.000 3.078 450 S HA 0.113 4.584 4.470 0.001 0.000 0.248 450 S C -0.240 174.379 174.600 0.033 0.000 0.857 450 S CA -0.243 57.983 58.200 0.043 0.000 1.139 450 S CB 0.034 63.258 63.200 0.040 0.000 1.186 450 S HN 0.524 nan 8.310 nan 0.000 0.567 451 D N 1.317 121.738 120.400 0.035 0.000 2.363 451 D HA 0.152 4.793 4.640 0.001 0.000 0.226 451 D C 1.483 177.789 176.300 0.009 0.000 1.020 451 D CA 0.966 54.979 54.000 0.021 0.000 0.892 451 D CB -0.437 40.379 40.800 0.027 0.000 0.900 451 D HN 0.475 nan 8.370 nan 0.000 0.531 452 G N -0.435 108.379 108.800 0.023 0.000 2.205 452 G HA2 -0.263 3.697 3.960 0.001 0.000 0.261 452 G HA3 -0.263 3.697 3.960 0.001 0.000 0.261 452 G C 0.269 175.187 174.900 0.031 0.000 0.980 452 G CA 0.313 45.423 45.100 0.018 0.000 0.632 452 G HN 0.407 nan 8.290 nan 0.000 0.533 453 S N 1.897 117.628 115.700 0.053 0.000 2.512 453 S HA 0.507 4.977 4.470 0.001 0.000 0.291 453 S C 0.497 175.216 174.600 0.199 0.000 1.151 453 S CA 0.111 58.385 58.200 0.123 0.000 1.120 453 S CB 1.128 64.379 63.200 0.086 0.000 1.029 453 S HN 0.510 nan 8.310 nan 0.000 0.485 454 T N 3.706 118.360 114.554 0.166 0.000 2.367 454 T HA -0.120 4.230 4.350 0.001 0.000 0.207 454 T C 0.702 175.484 174.700 0.136 0.000 1.065 454 T CA 0.717 62.896 62.100 0.131 0.000 1.252 454 T CB -0.064 68.869 68.868 0.109 0.000 1.023 454 T HN 0.471 nan 8.240 nan 0.000 0.462 455 D N 1.567 122.029 120.400 0.104 0.000 2.259 455 D HA 0.205 4.845 4.640 0.001 0.000 0.216 455 D C 0.748 177.082 176.300 0.057 0.000 0.961 455 D CA 0.745 54.799 54.000 0.089 0.000 0.878 455 D CB 0.209 41.060 40.800 0.085 0.000 1.009 455 D HN 0.586 nan 8.370 nan 0.000 0.490 456 L N -2.938 118.318 121.223 0.055 0.000 2.389 456 L HA 0.758 5.099 4.340 0.001 0.000 0.249 456 L C -1.029 175.873 176.870 0.053 0.000 1.083 456 L CA -1.105 53.761 54.840 0.045 0.000 0.876 456 L CB 2.041 44.117 42.059 0.028 0.000 1.489 456 L HN -0.361 nan 8.230 nan 0.000 0.412 457 V N 1.137 121.087 119.914 0.061 0.000 2.668 457 V HA 0.506 4.627 4.120 0.001 0.000 0.304 457 V C -0.421 175.695 176.094 0.037 0.000 1.071 457 V CA -0.323 62.016 62.300 0.065 0.000 0.894 457 V CB 1.827 33.727 31.823 0.128 0.000 1.008 457 V HN 0.696 nan 8.190 nan 0.000 0.425 458 L N 5.132 126.354 121.223 -0.002 0.000 2.399 458 L HA 0.676 5.016 4.340 0.001 0.000 0.265 458 L C -0.574 176.250 176.870 -0.076 0.000 1.089 458 L CA -0.468 54.346 54.840 -0.043 0.000 0.802 458 L CB 1.555 43.570 42.059 -0.074 0.000 1.180 458 L HN 0.450 nan 8.230 nan 0.000 0.454 459 I N -0.058 120.435 120.570 -0.128 0.000 2.865 459 I HA 0.535 4.706 4.170 0.001 0.000 0.302 459 I C -0.080 175.879 176.117 -0.263 0.000 1.140 459 I CA -0.567 60.579 61.300 -0.257 0.000 1.021 459 I CB 2.365 40.078 38.000 -0.479 0.000 1.233 459 I HN 0.606 nan 8.210 nan 0.000 0.427 460 G N 2.433 111.064 108.800 -0.282 0.000 2.420 460 G HA2 0.751 4.712 3.960 0.001 0.000 0.331 460 G HA3 0.751 4.712 3.960 0.001 0.000 0.331 460 G C -0.905 173.910 174.900 -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 2.674 125.450 122.820 -0.073 0.000 3.411 461 A HA 0.610 4.931 4.320 0.001 0.000 0.238 461 A C -1.952 175.648 177.584 0.026 0.000 1.140 461 A CA -0.567 51.500 52.037 0.050 0.000 0.980 461 A CB 1.031 20.102 19.000 0.119 0.000 1.371 461 A HN 0.350 nan 8.150 nan 0.000 0.700 462 P HA -0.161 nan 4.420 nan 0.000 0.218 462 P C 0.276 177.423 177.300 -0.256 0.000 1.146 462 P CA 1.422 64.339 63.100 -0.306 0.000 0.820 462 P CB -0.065 31.252 31.700 -0.638 0.000 0.778 463 H N -2.264 116.894 119.070 0.148 0.000 2.432 463 H HA 0.310 4.866 4.556 0.001 0.000 0.226 463 H C -0.609 174.938 175.328 0.365 0.000 1.634 463 H CA -0.508 55.654 56.048 0.189 0.000 1.253 463 H CB -0.525 29.293 29.762 0.094 0.000 1.584 463 H HN 0.169 nan 8.280 nan 0.000 0.545 464 Y N 2.323 122.817 120.300 0.324 0.000 2.581 464 Y HA 0.488 5.039 4.550 0.001 0.000 0.345 464 Y C -1.487 174.681 175.900 0.446 0.000 1.036 464 Y CA -1.398 56.897 58.100 0.325 0.000 1.042 464 Y CB 1.649 40.224 38.460 0.192 0.000 1.289 464 Y HN 0.285 nan 8.280 nan 0.000 0.471 465 Y N 0.518 120.258 120.300 -0.933 0.000 3.045 465 Y HA 0.397 4.947 4.550 0.001 0.000 0.387 465 Y C -0.600 174.923 175.900 -0.628 0.000 1.306 465 Y CA -0.637 57.075 58.100 -0.648 0.000 1.121 465 Y CB 0.428 38.781 38.460 -0.178 0.000 2.062 465 Y HN 0.563 nan 8.280 nan 0.000 0.416 466 E N -1.661 118.386 120.200 -0.254 0.000 2.662 466 E HA 0.180 4.530 4.350 0.001 0.000 0.205 466 E C 0.336 176.975 176.600 0.066 0.000 1.003 466 E CA 0.139 56.402 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 0.312 120.196 119.800 0.141 0.000 2.427 467 Q HA 0.244 4.584 4.340 0.001 0.000 0.249 467 Q C -0.085 175.975 176.000 0.100 0.000 0.783 467 Q CA 0.937 56.815 55.803 0.125 0.000 0.978 467 Q CB 1.950 30.724 28.738 0.060 0.000 1.273 467 Q HN 0.083 nan 8.270 nan 0.000 0.524 468 T N 1.733 116.346 114.554 0.098 0.000 2.812 468 T HA 0.430 4.780 4.350 0.001 0.000 0.282 468 T C 0.103 174.859 174.700 0.094 0.000 0.990 468 T CA -0.414 61.715 62.100 0.048 0.000 0.960 468 T CB 1.565 70.460 68.868 0.045 0.000 0.948 468 T HN -0.039 nan 8.240 nan 0.000 0.438 469 R N 2.053 122.571 120.500 0.031 0.000 4.031 469 R HA 0.210 4.550 4.340 0.001 0.000 0.269 469 R C 1.851 178.272 176.300 0.201 0.000 1.668 469 R CA -0.303 55.865 56.100 0.114 0.000 1.432 469 R CB -0.268 30.050 30.300 0.030 0.000 1.374 469 R HN 0.866 nan 8.270 nan 0.000 0.681 470 G N 0.073 108.990 108.800 0.194 0.000 2.418 470 G HA2 0.026 3.987 3.960 0.001 0.000 0.217 470 G HA3 0.026 3.987 3.960 0.001 0.000 0.217 470 G C 0.666 175.754 174.900 0.313 0.000 1.158 470 G CA 0.804 46.045 45.100 0.235 0.000 0.771 470 G HN 0.615 nan 8.290 nan 0.000 0.545 471 G N -2.039 106.965 108.800 0.340 0.000 2.334 471 G HA2 0.425 4.385 3.960 0.001 0.000 0.315 471 G HA3 0.425 4.385 3.960 0.001 0.000 0.315 471 G C -1.741 173.430 174.900 0.451 0.000 1.284 471 G CA 0.035 45.358 45.100 0.372 0.000 0.985 471 G HN 0.741 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 0.001 0.000 0.245 472 Q C -1.262 174.769 176.000 0.050 0.000 0.893 472 Q CA -0.508 55.475 55.803 0.299 0.000 0.922 472 Q CB 1.904 30.860 28.738 0.363 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 4.964 4.120 0.001 0.000 0.303 473 V C -0.485 175.635 176.094 0.043 0.000 1.041 473 V CA -0.654 61.576 62.300 -0.117 0.000 0.907 473 V CB 1.988 33.606 31.823 -0.340 0.000 0.994 473 V HN 0.733 nan 8.190 nan 0.000 0.442 474 S N 2.980 118.697 115.700 0.029 0.000 2.605 474 S HA 0.519 4.990 4.470 0.001 0.000 0.308 474 S C -0.954 173.681 174.600 0.058 0.000 1.113 474 S CA -0.475 57.799 58.200 0.122 0.000 1.049 474 S CB 1.521 64.883 63.200 0.271 0.000 1.001 474 S HN 0.711 nan 8.310 nan 0.000 0.480 475 V N 6.125 126.075 119.914 0.059 0.000 2.461 475 V HA 0.578 4.698 4.120 0.001 0.000 0.275 475 V C -0.759 175.324 176.094 -0.018 0.000 1.047 475 V CA -0.102 62.207 62.300 0.015 0.000 0.955 475 V CB 0.153 31.986 31.823 0.017 0.000 0.988 475 V HN 1.064 nan 8.190 nan 0.000 0.471 476 c N 8.042 126.607 118.600 -0.057 0.000 2.949 476 c HA 0.425 4.995 4.570 0.001 0.000 0.306 476 c C -2.339 171.654 174.090 -0.161 0.000 1.045 476 c CA -1.133 55.065 56.329 -0.219 0.000 1.414 476 c CB 0.651 43.002 42.510 -0.265 0.000 1.854 476 c HN 0.747 nan 8.230 nan 0.000 0.487 477 P HA 0.080 nan 4.420 nan 0.000 0.273 477 P C -0.261 177.022 177.300 -0.027 0.000 1.258 477 P CA -0.263 62.761 63.100 -0.125 0.000 0.802 477 P CB 0.506 32.108 31.700 -0.163 0.000 1.040 478 L N 1.193 122.436 121.223 0.034 0.000 2.709 478 L HA 0.449 4.790 4.340 0.001 0.000 0.236 478 L C -2.414 174.425 176.870 -0.051 0.000 1.266 478 L CA -2.390 52.524 54.840 0.125 0.000 0.987 478 L CB -0.511 41.543 42.059 -0.008 0.000 1.306 478 L HN 0.138 nan 8.230 nan 0.000 0.467 479 P HA 0.060 nan 4.420 nan 0.000 0.263 479 P C -0.713 176.529 177.300 -0.096 0.000 1.175 479 P CA 0.178 63.180 63.100 -0.163 0.000 0.761 479 P CB 0.353 31.781 31.700 -0.453 0.000 0.794 480 R N 2.174 122.607 120.500 -0.111 0.000 2.407 480 R HA 0.654 4.994 4.340 0.001 0.000 0.303 480 R C -0.260 176.033 176.300 -0.011 0.000 0.981 480 R CA 0.014 56.034 56.100 -0.133 0.000 0.905 480 R CB 0.478 30.588 30.300 -0.317 0.000 1.099 480 R HN 0.698 nan 8.270 nan 0.000 0.459 481 G N 4.057 112.885 108.800 0.046 0.000 2.551 481 G HA2 -0.086 3.875 3.960 0.001 0.000 0.604 481 G HA3 -0.086 3.875 3.960 0.001 0.000 0.604 481 G C -0.941 174.071 174.900 0.186 0.000 1.116 481 G CA -0.711 44.411 45.100 0.038 0.000 1.285 481 G HN 0.367 nan 8.290 nan 0.000 0.586 482 W N 1.762 123.031 121.300 -0.051 0.000 2.055 482 W HA 0.449 5.109 4.660 0.000 0.000 0.356 482 W C 1.780 178.299 176.519 0.000 0.000 1.331 482 W CA 0.215 57.527 57.345 -0.055 0.000 1.364 482 W CB -0.165 29.251 29.460 -0.074 0.000 1.274 482 W HN 0.897 nan 8.180 nan 0.000 0.645 483 R N -1.268 119.380 120.500 0.248 0.000 3.922 483 R HA -0.239 4.102 4.340 0.001 0.000 0.447 483 R C 0.309 176.719 176.300 0.184 0.000 1.035 483 R CA 1.474 57.676 56.100 0.170 0.000 1.289 483 R CB -1.165 29.230 30.300 0.157 0.000 1.906 483 R HN 0.497 nan 8.270 nan 0.000 0.540 484 R N -0.145 120.498 120.500 0.239 0.000 2.533 484 R HA 0.409 4.750 4.340 0.001 0.000 0.288 484 R C -2.046 174.512 176.300 0.429 0.000 1.039 484 R CA -0.608 55.693 56.100 0.335 0.000 0.909 484 R CB 1.393 31.906 30.300 0.354 0.000 1.195 484 R HN 0.117 nan 8.270 nan 0.000 0.438 485 W N 6.364 127.794 121.300 0.216 0.000 4.071 485 W HA 0.329 4.989 4.660 0.001 0.000 0.274 485 W C -2.362 174.221 176.519 0.107 0.000 1.278 485 W CA -0.700 56.585 57.345 -0.101 0.000 1.258 485 W CB 0.787 30.127 29.460 -0.200 0.000 1.236 485 W HN 0.579 nan 8.180 nan 0.000 0.530 486 W N 4.862 125.757 121.300 -0.674 0.000 2.619 486 W HA 0.599 5.259 4.660 0.001 0.000 0.327 486 W C -0.355 175.650 176.519 -0.856 0.000 1.027 486 W CA -1.172 55.824 57.345 -0.582 0.000 1.233 486 W CB 0.563 29.841 29.460 -0.303 0.000 1.370 486 W HN 0.323 nan 8.180 nan 0.000 0.453 487 c N 2.156 120.385 118.600 -0.618 0.000 2.485 487 c HA -0.087 4.483 4.570 0.001 0.000 0.283 487 c C 0.803 174.813 174.090 -0.133 0.000 1.478 487 c CA 0.891 56.963 56.329 -0.429 0.000 1.741 487 c CB -1.986 40.421 42.510 -0.172 0.000 1.675 487 c HN 0.731 nan 8.230 nan 0.000 0.573 488 D N 0.174 120.581 120.400 0.011 0.000 2.634 488 D HA 0.370 5.010 4.640 0.001 0.000 0.318 488 D C 0.281 176.747 176.300 0.276 0.000 1.226 488 D CA -0.083 53.985 54.000 0.114 0.000 0.899 488 D CB 0.193 41.027 40.800 0.057 0.000 1.025 488 D HN 0.240 nan 8.370 nan 0.000 0.501 489 A N 2.245 125.243 122.820 0.297 0.000 3.063 489 A HA 0.491 4.811 4.320 0.001 0.000 0.263 489 A C 1.369 179.022 177.584 0.115 0.000 1.736 489 A CA -0.206 51.975 52.037 0.239 0.000 1.408 489 A CB -0.786 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 -0.518 119.452 119.914 0.093 0.000 0.683 490 V HA -0.395 3.725 4.120 0.001 0.000 0.092 490 V C 1.222 177.384 176.094 0.114 0.000 0.907 490 V CA 2.203 64.548 62.300 0.075 0.000 3.123 490 V CB -2.087 29.759 31.823 0.038 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 0.068 0.000 2.543 491 L HA 0.753 5.093 4.340 0.001 0.000 0.231 491 L C -0.369 176.580 176.870 0.133 0.000 1.194 491 L CA 0.032 54.866 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 0.990 nan 8.230 nan 0.000 0.507 492 Y N -2.507 117.833 120.300 0.066 0.000 2.262 492 Y HA 0.674 5.224 4.550 0.000 0.000 0.317 492 Y C -0.253 175.715 175.900 0.114 0.000 1.230 492 Y CA -1.130 57.011 58.100 0.070 0.000 1.166 492 Y CB -0.101 38.408 38.460 0.081 0.000 1.254 492 Y HN 0.923 nan 8.280 nan 0.000 0.405 493 G N 2.359 111.264 108.800 0.175 0.000 2.503 493 G HA2 0.566 4.526 3.960 0.001 0.000 0.257 493 G HA3 0.566 4.526 3.960 0.001 0.000 0.257 493 G C -0.558 174.601 174.900 0.433 0.000 1.214 493 G CA -0.198 45.036 45.100 0.225 0.000 0.839 493 G HN 0.817 nan 8.290 nan 0.000 0.559 494 E N -0.612 119.727 120.200 0.232 0.000 2.429 494 E HA 0.559 4.909 4.350 0.001 0.000 0.141 494 E C -0.981 175.349 176.600 -0.450 0.000 1.003 494 E CA -0.730 55.712 56.400 0.070 0.000 0.817 494 E CB 1.184 31.018 29.700 0.224 0.000 2.152 494 E HN 0.400 nan 8.360 nan 0.000 0.442 495 Q N -0.804 118.879 119.800 -0.195 0.000 2.791 495 Q HA 0.381 4.721 4.340 0.001 0.000 0.280 495 Q C -1.686 174.336 176.000 0.037 0.000 0.928 495 Q CA 0.017 55.731 55.803 -0.149 0.000 0.819 495 Q CB 1.592 30.154 28.738 -0.294 0.000 1.552 495 Q HN 0.584 nan 8.270 nan 0.000 0.410 496 G N 1.450 110.303 108.800 0.088 0.000 3.717 496 G HA2 0.416 4.376 3.960 0.001 0.000 0.258 496 G HA3 0.416 4.376 3.960 0.001 0.000 0.258 496 G C -0.986 174.018 174.900 0.174 0.000 1.088 496 G CA 0.295 45.461 45.100 0.110 0.000 1.737 496 G HN 0.546 nan 8.290 nan 0.000 0.648 497 H N 0.400 119.509 119.070 0.064 0.000 3.275 497 H HA 0.391 4.947 4.556 0.001 0.000 0.326 497 H C -2.736 172.652 175.328 0.100 0.000 1.096 497 H CA -1.092 55.001 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 0.116 nan 8.280 nan 0.000 0.510 498 P HA -0.115 nan 4.420 nan 0.000 0.270 498 P C -0.296 177.039 177.300 0.057 0.000 1.221 498 P CA 0.219 63.251 63.100 -0.114 0.000 0.788 498 P CB 0.371 31.897 31.700 -0.290 0.000 0.904 499 W N 0.279 121.553 121.300 -0.042 0.000 6.351 499 W HA -0.119 4.542 4.660 0.001 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 -0.881 108.141 108.800 0.369 0.000 2.833 500 G HA2 0.101 4.062 3.960 0.001 0.000 0.210 500 G HA3 0.101 4.062 3.960 0.001 0.000 0.210 500 G C 0.913 175.983 174.900 0.283 0.000 1.139 500 G CA 0.043 45.368 45.100 0.376 0.000 0.771 500 G HN 0.240 nan 8.290 nan 0.000 0.535 501 R N -0.840 119.783 120.500 0.206 0.000 3.205 501 R HA -0.196 4.144 4.340 0.001 0.000 0.249 501 R C -0.769 175.623 176.300 0.154 0.000 0.937 501 R CA 0.234 56.376 56.100 0.071 0.000 0.641 501 R CB -2.160 28.149 30.300 0.016 0.000 1.114 501 R HN 0.429 nan 8.270 nan 0.000 0.451 502 F N 0.544 120.532 119.950 0.064 0.000 2.404 502 F HA 0.428 4.955 4.527 0.001 0.000 0.358 502 F C 1.237 177.051 175.800 0.023 0.000 1.120 502 F CA 0.985 59.035 58.000 0.084 0.000 1.144 502 F CB 1.133 40.190 39.000 0.094 0.000 1.133 502 F HN 0.373 nan 8.300 nan 0.000 0.495 503 G N 3.501 111.976 108.800 -0.541 0.000 2.183 503 G HA2 -0.210 3.750 3.960 0.001 0.000 0.168 503 G HA3 -0.210 3.750 3.960 0.001 0.000 0.168 503 G C 0.861 175.609 174.900 -0.253 0.000 1.008 503 G CA 0.011 44.801 45.100 -0.517 0.000 0.677 503 G HN 1.145 nan 8.290 nan 0.000 0.498 504 A N -0.478 122.242 122.820 -0.166 0.000 1.948 504 A HA 0.579 4.899 4.320 0.001 0.000 0.220 504 A C 1.607 179.143 177.584 -0.079 0.000 1.177 504 A CA 2.751 54.722 52.037 -0.111 0.000 0.636 504 A CB -0.197 18.764 19.000 -0.066 0.000 0.815 504 A HN 2.337 nan 8.150 nan 0.000 0.449 505 A N -2.480 120.287 122.820 -0.088 0.000 2.568 505 A HA 0.725 5.045 4.320 0.001 0.000 0.291 505 A C -1.468 176.068 177.584 -0.079 0.000 1.159 505 A CA -0.096 51.900 52.037 -0.068 0.000 0.679 505 A CB 0.642 19.611 19.000 -0.051 0.000 1.285 505 A HN 1.525 nan 8.150 nan 0.000 0.428 506 L N -3.548 117.642 121.223 -0.054 0.000 3.025 506 L HA 0.822 5.162 4.340 0.001 0.000 0.240 506 L C -0.665 176.192 176.870 -0.021 0.000 0.985 506 L CA -0.165 54.649 54.840 -0.042 0.000 1.029 506 L CB 1.017 43.029 42.059 -0.079 0.000 1.519 506 L HN 1.214 nan 8.230 nan 0.000 0.422 507 T N -0.194 114.358 114.554 -0.003 0.000 2.894 507 T HA 0.622 4.973 4.350 0.001 0.000 0.309 507 T C -1.338 173.373 174.700 0.019 0.000 1.208 507 T CA -0.240 61.865 62.100 0.009 0.000 1.016 507 T CB 2.106 70.983 68.868 0.015 0.000 1.192 507 T HN 1.416 nan 8.240 nan 0.000 0.491 508 V N 5.452 125.380 119.914 0.023 0.000 2.585 508 V HA 0.306 4.426 4.120 0.001 0.000 0.296 508 V C 0.736 176.850 176.094 0.033 0.000 1.035 508 V CA 0.298 62.617 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 7.107 128.353 121.223 0.038 0.000 2.500 509 L HA 0.668 5.009 4.340 0.001 0.000 0.219 509 L C 1.012 177.903 176.870 0.036 0.000 1.057 509 L CA 1.814 56.675 54.840 0.035 0.000 0.854 509 L CB -0.396 41.685 42.059 0.037 0.000 1.078 509 L HN 1.201 nan 8.230 nan 0.000 0.480 510 G N -0.208 108.618 108.800 0.044 0.000 2.545 510 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 510 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 510 G C -0.909 174.025 174.900 0.057 0.000 1.314 510 G CA -0.051 45.078 45.100 0.047 0.000 0.906 510 G HN 0.319 nan 8.290 nan 0.000 0.563 511 D N 0.920 121.352 120.400 0.054 0.000 2.352 511 D HA 0.369 5.009 4.640 0.001 0.000 0.245 511 D C 1.682 178.010 176.300 0.047 0.000 1.224 511 D CA 0.467 54.505 54.000 0.063 0.000 0.879 511 D CB 1.102 41.940 40.800 0.063 0.000 1.057 511 D HN 1.066 nan 8.370 nan 0.000 0.491 512 V N 2.193 122.132 119.914 0.042 0.000 3.151 512 V HA 0.100 4.220 4.120 0.001 0.000 0.241 512 V C 1.373 177.461 176.094 -0.010 0.000 1.173 512 V CA 0.619 62.922 62.300 0.005 0.000 1.154 512 V CB -0.361 31.449 31.823 -0.023 0.000 0.898 512 V HN 0.471 nan 8.190 nan 0.000 0.473 513 N N 1.291 119.986 118.700 -0.008 0.000 2.280 513 N HA 0.288 5.028 4.740 0.001 0.000 0.192 513 N C 1.483 177.135 175.510 0.238 0.000 1.109 513 N CA 0.771 53.839 53.050 0.030 0.000 0.855 513 N CB 0.449 38.845 38.487 -0.150 0.000 0.974 513 N HN 0.965 nan 8.380 nan 0.000 0.482 514 G N 1.100 110.008 108.800 0.180 0.000 2.148 514 G HA2 -0.299 3.661 3.960 0.001 0.000 0.254 514 G HA3 -0.299 3.661 3.960 0.001 0.000 0.254 514 G C -0.090 174.990 174.900 0.299 0.000 0.981 514 G CA 0.424 45.647 45.100 0.205 0.000 0.670 514 G HN 0.670 nan 8.290 nan 0.000 0.528 515 D N -0.003 120.563 120.400 0.277 0.000 2.434 515 D HA 0.287 4.928 4.640 0.001 0.000 0.232 515 D C 1.354 177.749 176.300 0.158 0.000 1.166 515 D CA -0.166 53.981 54.000 0.244 0.000 0.830 515 D CB 0.009 40.887 40.800 0.129 0.000 0.960 515 D HN 0.282 nan 8.370 nan 0.000 0.497 516 K N -0.572 119.912 120.400 0.141 0.000 3.426 516 K HA -0.190 4.130 4.320 0.001 0.000 0.315 516 K C -0.409 176.251 176.600 0.100 0.000 1.293 516 K CA 0.527 56.877 56.287 0.106 0.000 0.955 516 K CB -1.971 30.587 32.500 0.096 0.000 1.238 516 K HN 0.432 nan 8.250 nan 0.000 0.441 517 L N 1.912 123.202 121.223 0.113 0.000 2.324 517 L HA 0.187 4.527 4.340 0.001 0.000 0.274 517 L C 0.822 177.773 176.870 0.135 0.000 1.012 517 L CA -0.403 54.508 54.840 0.119 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 1.860 116.482 114.554 0.113 0.000 2.906 518 T HA -0.017 4.333 4.350 0.001 0.000 0.329 518 T C -0.349 174.430 174.700 0.132 0.000 1.091 518 T CA 0.371 62.534 62.100 0.106 0.000 1.127 518 T CB 0.099 69.017 68.868 0.084 0.000 1.035 518 T HN 0.486 nan 8.240 nan 0.000 0.547 519 D N 1.636 122.104 120.400 0.113 0.000 2.671 519 D HA 0.531 5.171 4.640 0.001 0.000 0.232 519 D C -0.373 175.964 176.300 0.061 0.000 1.114 519 D CA -0.325 53.732 54.000 0.094 0.000 0.858 519 D CB 1.895 42.754 40.800 0.097 0.000 1.544 519 D HN 0.501 nan 8.370 nan 0.000 0.471 520 V N -1.576 118.377 119.914 0.065 0.000 2.960 520 V HA 0.840 4.960 4.120 0.001 0.000 0.315 520 V C -0.316 175.844 176.094 0.110 0.000 1.087 520 V CA -0.731 61.611 62.300 0.069 0.000 0.982 520 V CB 1.817 33.668 31.823 0.046 0.000 1.039 520 V HN 0.284 nan 8.190 nan 0.000 0.437 521 V N 2.938 122.907 119.914 0.093 0.000 2.715 521 V HA 0.658 4.778 4.120 0.001 0.000 0.310 521 V C -0.315 175.848 176.094 0.115 0.000 1.054 521 V CA -0.477 61.901 62.300 0.129 0.000 0.928 521 V CB 1.731 33.603 31.823 0.083 0.000 1.007 521 V HN 0.843 nan 8.190 nan 0.000 0.437 522 I N 1.834 122.525 120.570 0.201 0.000 2.607 522 I HA 0.567 4.738 4.170 0.001 0.000 0.290 522 I C 0.415 176.684 176.117 0.253 0.000 1.129 522 I CA -0.424 60.973 61.300 0.162 0.000 1.042 522 I CB 2.248 40.328 38.000 0.135 0.000 1.242 522 I HN 0.759 nan 8.210 nan 0.000 0.421 523 G N 3.611 112.468 108.800 0.096 0.000 2.477 523 G HA2 0.737 4.697 3.960 0.001 0.000 0.304 523 G HA3 0.737 4.697 3.960 0.001 0.000 0.304 523 G C -0.585 174.444 174.900 0.215 0.000 1.175 523 G CA -0.413 44.732 45.100 0.074 0.000 0.907 523 G HN 0.841 nan 8.290 nan 0.000 0.509 524 A N 1.291 124.236 122.820 0.208 0.000 2.913 524 A HA 0.594 4.914 4.320 0.001 0.000 0.284 524 A C -2.331 175.389 177.584 0.226 0.000 1.273 524 A CA -0.588 51.634 52.037 0.309 0.000 0.899 524 A CB 1.271 20.642 19.000 0.618 0.000 1.444 524 A HN 0.324 nan 8.150 nan 0.000 0.586 525 P HA 0.049 nan 4.420 nan 0.000 0.239 525 P C 1.379 178.823 177.300 0.241 0.000 1.184 525 P CA 1.626 64.860 63.100 0.223 0.000 0.760 525 P CB 0.344 32.166 31.700 0.203 0.000 0.884 526 G N -1.349 107.581 108.800 0.215 0.000 2.986 526 G HA2 -0.013 3.947 3.960 0.001 0.000 0.213 526 G HA3 -0.013 3.947 3.960 0.001 0.000 0.213 526 G C 0.584 175.656 174.900 0.287 0.000 1.156 526 G CA -0.073 45.163 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 0.096 4.446 4.350 0.001 0.000 0.263 527 E C 0.771 177.391 176.600 0.033 0.000 1.143 527 E CA 0.153 56.634 56.400 0.134 0.000 0.994 527 E CB 0.443 30.170 29.700 0.045 0.000 0.973 527 E HN 0.517 nan 8.360 nan 0.000 0.457 528 E N 0.038 120.006 120.200 -0.386 0.000 3.675 528 E HA -0.288 4.062 4.350 0.001 0.000 0.252 528 E C -0.112 176.614 176.600 0.211 0.000 1.502 528 E CA 1.514 57.838 56.400 -0.126 0.000 2.293 528 E CB -0.583 29.074 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 4.426 4.350 0.001 0.000 0.296 529 E C 0.309 177.012 176.600 0.172 0.000 1.187 529 E CA 0.539 57.040 56.400 0.169 0.000 1.229 529 E CB 0.079 29.849 29.700 0.117 0.000 1.131 529 E HN 0.573 nan 8.360 nan 0.000 0.478 530 N N 1.343 120.174 118.700 0.220 0.000 2.946 530 N HA -0.219 4.521 4.740 0.001 0.000 0.228 530 N C -0.432 175.215 175.510 0.228 0.000 0.873 530 N CA 1.212 54.398 53.050 0.227 0.000 1.029 530 N CB -0.564 38.053 38.487 0.217 0.000 1.047 530 N HN 0.414 nan 8.380 nan 0.000 0.612 531 R N 0.565 121.166 120.500 0.167 0.000 2.905 531 R HA 0.327 4.668 4.340 0.001 0.000 0.273 531 R C 1.271 177.689 176.300 0.196 0.000 1.033 531 R CA 0.796 56.976 56.100 0.135 0.000 1.182 531 R CB -0.648 29.686 30.300 0.057 0.000 1.097 531 R HN 0.320 nan 8.270 nan 0.000 0.504 532 G N -1.114 107.827 108.800 0.235 0.000 2.557 532 G HA2 0.572 4.532 3.960 0.001 0.000 0.292 532 G HA3 0.572 4.532 3.960 0.001 0.000 0.292 532 G C -1.051 174.099 174.900 0.416 0.000 1.237 532 G CA 0.130 45.513 45.100 0.471 0.000 0.978 532 G HN 0.683 nan 8.290 nan 0.000 0.498 533 A N -1.928 121.203 122.820 0.519 0.000 2.590 533 A HA 0.635 4.955 4.320 0.001 0.000 0.294 533 A C -1.396 176.246 177.584 0.098 0.000 1.046 533 A CA -0.355 51.846 52.037 0.273 0.000 0.684 533 A CB 1.146 20.157 19.000 0.018 0.000 1.279 533 A HN 1.507 nan 8.150 nan 0.000 0.415 534 V N 0.422 120.283 119.914 -0.088 0.000 3.147 534 V HA 0.731 4.851 4.120 0.001 0.000 0.306 534 V C -1.471 174.424 176.094 -0.332 0.000 1.209 534 V CA -0.628 61.609 62.300 -0.105 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 1.913 122.321 120.300 0.179 0.000 2.576 535 Y HA 0.832 5.382 4.550 0.000 0.000 0.346 535 Y C -0.672 175.365 175.900 0.229 0.000 1.018 535 Y CA -0.957 57.243 58.100 0.166 0.000 1.050 535 Y CB 2.104 40.771 38.460 0.345 0.000 1.280 535 Y HN 0.507 nan 8.280 nan 0.000 0.474 536 L N 2.374 123.770 121.223 0.288 0.000 2.406 536 L HA 0.692 5.032 4.340 0.001 0.000 0.272 536 L C -2.028 174.827 176.870 -0.024 0.000 0.980 536 L CA -0.612 54.331 54.840 0.172 0.000 0.831 536 L CB 0.591 42.678 42.059 0.048 0.000 1.253 536 L HN 0.455 nan 8.230 nan 0.000 0.406 537 F N 2.784 122.653 119.950 -0.134 0.000 2.639 537 F HA 0.697 5.224 4.527 0.001 0.000 0.339 537 F C 0.123 175.647 175.800 -0.460 0.000 1.071 537 F CA -0.650 57.245 58.000 -0.175 0.000 0.994 537 F CB 1.563 40.581 39.000 0.031 0.000 1.341 537 F HN 0.404 nan 8.300 nan 0.000 0.498 538 H N -1.006 118.247 119.070 0.306 0.000 2.895 538 H HA 0.494 5.050 4.556 0.001 0.000 0.373 538 H C 0.019 175.452 175.328 0.175 0.000 1.174 538 H CA -0.962 55.204 56.048 0.197 0.000 1.144 538 H CB 1.540 31.396 29.762 0.157 0.000 1.793 538 H HN 0.771 nan 8.280 nan 0.000 0.551 539 G N -0.007 108.946 108.800 0.254 0.000 2.553 539 G HA2 0.394 4.354 3.960 0.001 0.000 0.278 539 G HA3 0.394 4.354 3.960 0.001 0.000 0.278 539 G C 0.378 175.374 174.900 0.160 0.000 1.349 539 G CA 0.099 45.304 45.100 0.176 0.000 1.037 539 G HN 0.362 nan 8.290 nan 0.000 0.508 540 V N -1.435 118.551 119.914 0.120 0.000 4.771 540 V HA 0.406 4.526 4.120 0.001 0.000 0.148 540 V C -0.135 176.010 176.094 0.085 0.000 1.138 540 V CA -0.037 62.322 62.300 0.099 0.000 1.282 540 V CB -0.165 31.711 31.823 0.089 0.000 1.742 540 V HN 0.398 nan 8.190 nan 0.000 0.563 541 L N 0.815 122.086 121.223 0.080 0.000 2.620 541 L HA 0.639 4.979 4.340 0.001 0.000 0.261 541 L C 0.298 177.211 176.870 0.073 0.000 0.978 541 L CA 0.397 55.282 54.840 0.074 0.000 0.897 541 L CB 1.158 43.259 42.059 0.069 0.000 1.207 541 L HN 0.681 nan 8.230 nan 0.000 0.425 542 G N 4.348 113.192 108.800 0.075 0.000 2.509 542 G HA2 -0.206 3.755 3.960 0.001 0.000 0.259 542 G HA3 -0.206 3.755 3.960 0.001 0.000 0.259 542 G C -2.702 172.240 174.900 0.071 0.000 1.169 542 G CA -0.428 44.716 45.100 0.074 0.000 0.953 542 G HN 0.399 nan 8.290 nan 0.000 0.563 543 P HA 0.452 nan 4.420 nan 0.000 0.273 543 P C -0.317 177.021 177.300 0.063 0.000 1.428 543 P CA 1.077 64.212 63.100 0.058 0.000 0.995 543 P CB 0.317 32.049 31.700 0.054 0.000 1.286 544 S N 3.417 119.156 115.700 0.064 0.000 2.680 544 S HA 0.649 5.120 4.470 0.001 0.000 0.284 544 S C -0.802 173.849 174.600 0.084 0.000 1.055 544 S CA -0.957 57.285 58.200 0.070 0.000 0.849 544 S CB 0.319 63.563 63.200 0.073 0.000 1.068 544 S HN 0.421 nan 8.310 nan 0.000 0.453 545 I N -1.440 119.187 120.570 0.094 0.000 3.074 545 I HA 0.868 5.038 4.170 0.001 0.000 0.310 545 I C -0.566 175.655 176.117 0.174 0.000 1.153 545 I CA -0.795 60.588 61.300 0.138 0.000 0.993 545 I CB 2.123 40.190 38.000 0.111 0.000 1.237 545 I HN 0.682 nan 8.210 nan 0.000 0.443 546 S N 3.509 119.362 115.700 0.255 0.000 2.399 546 S HA 0.469 4.939 4.470 0.001 0.000 0.301 546 S C -1.683 173.117 174.600 0.335 0.000 1.093 546 S CA -1.393 56.950 58.200 0.239 0.000 1.077 546 S CB 0.604 63.939 63.200 0.225 0.000 0.980 546 S HN 0.584 nan 8.310 nan 0.000 0.494 547 P HA -0.081 nan 4.420 nan 0.000 0.216 547 P C 0.062 177.510 177.300 0.246 0.000 1.157 547 P CA 0.913 64.178 63.100 0.275 0.000 0.880 547 P CB -0.003 31.759 31.700 0.103 0.000 0.791 548 S N 1.031 116.775 115.700 0.073 0.000 2.481 548 S HA 0.040 4.510 4.470 0.001 0.000 0.282 548 S C 0.520 174.993 174.600 -0.212 0.000 1.243 548 S CA -0.303 57.843 58.200 -0.089 0.000 1.078 548 S CB -0.704 62.440 63.200 -0.094 0.000 0.916 548 S HN 0.297 nan 8.310 nan 0.000 0.495 549 H N 1.374 120.192 119.070 -0.418 0.000 2.546 549 H HA 0.335 4.891 4.556 0.001 0.000 0.365 549 H C 0.978 176.203 175.328 -0.172 0.000 1.220 549 H CA -0.230 55.451 56.048 -0.612 0.000 1.386 549 H CB 0.524 29.765 29.762 -0.868 0.000 1.510 549 H HN 0.547 nan 8.280 nan 0.000 0.591 550 S N 0.461 116.192 115.700 0.051 0.000 2.475 550 S HA 0.038 4.509 4.470 0.001 0.000 0.224 550 S C 0.722 175.435 174.600 0.187 0.000 1.042 550 S CA -0.068 58.235 58.200 0.171 0.000 0.935 550 S CB 0.397 63.910 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 2.451 551 Q HA 0.580 4.920 4.340 0.001 0.000 0.281 551 Q C -1.263 174.867 176.000 0.216 0.000 1.099 551 Q CA -0.831 55.097 55.803 0.208 0.000 0.806 551 Q CB 1.824 30.657 28.738 0.158 0.000 1.419 551 Q HN 0.301 nan 8.270 nan 0.000 0.427 552 R N 3.527 124.087 120.500 0.100 0.000 2.593 552 R HA 0.314 4.654 4.340 0.001 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 -0.088 0.000 1.537 552 R CB 0.200 30.482 30.300 -0.029 0.000 1.362 552 R HN 0.636 nan 8.270 nan 0.000 0.734 553 I N 2.436 122.980 120.570 -0.043 0.000 2.792 553 I HA -0.000 4.170 4.170 0.001 0.000 0.284 553 I C 0.788 176.897 176.117 -0.014 0.000 1.166 553 I CA 0.399 61.693 61.300 -0.011 0.000 1.375 553 I CB 0.558 38.588 38.000 0.050 0.000 1.421 553 I HN 0.400 nan 8.210 nan 0.000 0.544 554 A N 5.020 127.796 122.820 -0.072 0.000 2.468 554 A HA 0.718 5.038 4.320 0.001 0.000 0.277 554 A C 1.157 178.604 177.584 -0.228 0.000 1.203 554 A CA -0.199 51.792 52.037 -0.076 0.000 0.932 554 A CB 0.353 19.298 19.000 -0.091 0.000 1.438 554 A HN 0.709 nan 8.150 nan 0.000 0.468 555 G N -0.374 108.297 108.800 -0.215 0.000 3.279 555 G HA2 0.318 4.278 3.960 0.001 0.000 0.230 555 G HA3 0.318 4.278 3.960 0.001 0.000 0.230 555 G C 0.344 175.134 174.900 -0.183 0.000 1.230 555 G CA 0.797 45.715 45.100 -0.303 0.000 0.891 555 G HN 0.494 nan 8.290 nan 0.000 0.518 556 S N -0.067 115.545 115.700 -0.146 0.000 2.554 556 S HA 0.129 4.599 4.470 0.001 0.000 0.226 556 S C 0.903 175.444 174.600 -0.098 0.000 0.980 556 S CA -0.226 57.915 58.200 -0.099 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 1.644 121.364 119.800 -0.135 0.000 3.207 557 Q HA 0.326 4.666 4.340 0.001 0.000 0.335 557 Q C 0.252 176.189 176.000 -0.105 0.000 1.374 557 Q CA -0.144 55.593 55.803 -0.110 0.000 1.023 557 Q CB -0.657 28.009 28.738 -0.121 0.000 1.576 557 Q HN 0.480 nan 8.270 nan 0.000 0.515 558 L N 0.092 121.265 121.223 -0.084 0.000 3.905 558 L HA -0.264 4.076 4.340 0.001 0.000 0.437 558 L C 0.444 177.260 176.870 -0.090 0.000 1.152 558 L CA 0.530 55.326 54.840 -0.073 0.000 0.935 558 L CB -1.548 40.477 42.059 -0.057 0.000 1.841 558 L HN 0.252 nan 8.230 nan 0.000 0.998 559 S N -0.565 115.060 115.700 -0.125 0.000 3.517 559 S HA 0.208 4.679 4.470 0.001 0.000 0.284 559 S C 1.556 176.096 174.600 -0.100 0.000 1.260 559 S CA 0.326 58.443 58.200 -0.138 0.000 0.975 559 S CB 0.579 63.640 63.200 -0.232 0.000 1.540 559 S HN 0.421 nan 8.310 nan 0.000 0.506 560 S N 4.244 119.900 115.700 -0.074 0.000 2.412 560 S HA -0.199 4.271 4.470 0.001 0.000 0.246 560 S C 0.830 175.399 174.600 -0.052 0.000 1.073 560 S CA 1.569 59.736 58.200 -0.056 0.000 1.186 560 S CB -0.179 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 -0.154 120.315 120.500 -0.052 0.000 2.837 561 R HA 0.398 4.738 4.340 0.001 0.000 0.245 561 R C -1.596 174.674 176.300 -0.050 0.000 1.712 561 R CA -0.026 56.048 56.100 -0.044 0.000 1.539 561 R CB 0.560 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 1.091 122.276 121.223 -0.064 0.000 2.362 562 L HA 0.388 4.728 4.340 0.001 0.000 0.271 562 L C 1.010 177.838 176.870 -0.069 0.000 1.002 562 L CA -0.466 54.331 54.840 -0.072 0.000 0.818 562 L CB 2.603 44.630 42.059 -0.053 0.000 1.298 562 L HN 0.448 nan 8.230 nan 0.000 0.420 563 Q N 2.040 121.760 119.800 -0.133 0.000 2.042 563 Q HA 0.006 4.346 4.340 0.001 0.000 0.194 563 Q C -0.873 175.160 176.000 0.055 0.000 0.978 563 Q CA 1.031 56.791 55.803 -0.073 0.000 0.828 563 Q CB 0.339 28.992 28.738 -0.141 0.000 0.901 563 Q HN 0.606 nan 8.270 nan 0.000 0.461 564 Y N -0.591 119.787 120.300 0.131 0.000 2.326 564 Y HA 0.509 5.059 4.550 0.000 0.000 0.331 564 Y C -1.041 174.991 175.900 0.219 0.000 0.962 564 Y CA -1.764 56.434 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 2.439 122.472 119.950 0.138 0.000 2.532 565 F HA 0.848 5.375 4.527 0.001 0.000 0.321 565 F C 0.532 176.393 175.800 0.103 0.000 1.089 565 F CA -0.426 57.627 58.000 0.088 0.000 0.926 565 F CB 2.315 41.335 39.000 0.034 0.000 1.168 565 F HN 0.864 nan 8.300 nan 0.000 0.459 566 G N 3.074 111.540 108.800 -0.556 0.000 2.192 566 G HA2 -0.298 3.662 3.960 0.001 0.000 0.193 566 G HA3 -0.298 3.662 3.960 0.001 0.000 0.193 566 G C 0.613 175.402 174.900 -0.186 0.000 0.999 566 G CA 0.273 45.034 45.100 -0.566 0.000 0.659 566 G HN 0.763 nan 8.290 nan 0.000 0.503 567 Q N 0.129 119.897 119.800 -0.052 0.000 2.084 567 Q HA 0.068 4.408 4.340 0.001 0.000 0.215 567 Q C 1.572 177.550 176.000 -0.038 0.000 1.020 567 Q CA 2.430 58.234 55.803 0.003 0.000 0.887 567 Q CB -0.240 28.539 28.738 0.068 0.000 0.975 567 Q HN 1.551 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 5.092 4.320 0.001 0.000 0.290 568 A C -1.634 175.910 177.584 -0.067 0.000 1.143 568 A CA -0.819 51.185 52.037 -0.056 0.000 0.728 568 A CB 1.544 20.516 19.000 -0.048 0.000 1.317 568 A HN 0.304 nan 8.150 nan 0.000 0.414 569 L N -3.027 118.169 121.223 -0.046 0.000 2.700 569 L HA 0.815 5.155 4.340 0.001 0.000 0.255 569 L C -0.818 176.048 176.870 -0.007 0.000 0.933 569 L CA -0.361 54.460 54.840 -0.031 0.000 0.920 569 L CB 1.282 43.310 42.059 -0.053 0.000 1.472 569 L HN 0.512 nan 8.230 nan 0.000 0.426 570 S N 0.010 115.717 115.700 0.012 0.000 2.572 570 S HA 0.962 5.432 4.470 0.001 0.000 0.274 570 S C -0.336 174.285 174.600 0.035 0.000 1.150 570 S CA -0.126 58.089 58.200 0.024 0.000 0.944 570 S CB 1.908 65.127 63.200 0.031 0.000 1.071 570 S HN 1.314 nan 8.310 nan 0.000 0.479 571 G N -0.136 108.684 108.800 0.032 0.000 2.727 571 G HA2 0.705 4.665 3.960 0.001 0.000 0.289 571 G HA3 0.705 4.665 3.960 0.001 0.000 0.289 571 G C 0.354 175.271 174.900 0.028 0.000 1.418 571 G CA -0.053 45.067 45.100 0.034 0.000 0.818 571 G HN 1.516 nan 8.290 nan 0.000 0.486 572 G N -1.579 107.236 108.800 0.024 0.000 2.367 572 G HA2 -0.097 3.863 3.960 0.001 0.000 0.181 572 G HA3 -0.097 3.863 3.960 0.001 0.000 0.181 572 G C 0.076 174.983 174.900 0.011 0.000 1.000 572 G CA 0.216 45.327 45.100 0.018 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 0.568 4.908 4.340 0.001 0.000 0.260 573 Q C -0.910 175.089 176.000 -0.003 0.000 0.974 573 Q CA -0.554 55.252 55.803 0.004 0.000 0.876 573 Q CB 2.050 30.794 28.738 0.010 0.000 1.297 573 Q HN 0.247 nan 8.270 nan 0.000 0.446 574 D N 1.847 122.238 120.400 -0.015 0.000 2.380 574 D HA 0.174 4.814 4.640 0.001 0.000 0.230 574 D C -0.102 176.174 176.300 -0.041 0.000 1.154 574 D CA -0.357 53.623 54.000 -0.033 0.000 0.859 574 D CB 0.540 41.320 40.800 -0.034 0.000 1.045 574 D HN 0.491 nan 8.370 nan 0.000 0.495 575 L N 1.955 123.144 121.223 -0.057 0.000 2.500 575 L HA 0.290 4.631 4.340 0.001 0.000 0.219 575 L C 1.900 178.687 176.870 -0.140 0.000 1.057 575 L CA 0.627 55.434 54.840 -0.056 0.000 0.854 575 L CB -1.194 40.866 42.059 0.001 0.000 1.078 575 L HN 0.353 nan 8.230 nan 0.000 0.480 576 T N -3.492 110.894 114.554 -0.279 0.000 3.118 576 T HA 0.050 4.401 4.350 0.001 0.000 0.260 576 T C 1.048 175.546 174.700 -0.337 0.000 1.139 576 T CA 0.760 62.487 62.100 -0.622 0.000 1.085 576 T CB -0.461 67.814 68.868 -0.988 0.000 0.934 576 T HN 0.560 nan 8.240 nan 0.000 0.518 577 Q N 0.436 120.131 119.800 -0.175 0.000 2.305 577 Q HA -0.213 4.128 4.340 0.001 0.000 0.203 577 Q C -0.556 175.398 176.000 -0.077 0.000 0.663 577 Q CA 1.209 56.958 55.803 -0.091 0.000 1.389 577 Q CB -2.012 26.695 28.738 -0.051 0.000 1.566 577 Q HN 0.968 nan 8.270 nan 0.000 0.755 578 D N -0.852 119.481 120.400 -0.111 0.000 2.348 578 D HA 0.344 4.984 4.640 0.001 0.000 0.253 578 D C 1.474 177.741 176.300 -0.054 0.000 1.161 578 D CA 0.448 54.408 54.000 -0.066 0.000 0.876 578 D CB 0.919 41.678 40.800 -0.068 0.000 1.160 578 D HN 0.104 nan 8.370 nan 0.000 0.459 579 G N 2.834 111.614 108.800 -0.033 0.000 2.816 579 G HA2 -0.312 3.649 3.960 0.001 0.000 0.229 579 G HA3 -0.312 3.649 3.960 0.001 0.000 0.229 579 G C 0.599 175.482 174.900 -0.028 0.000 1.158 579 G CA 1.087 46.171 45.100 -0.026 0.000 0.761 579 G HN 0.546 nan 8.290 nan 0.000 0.636 580 L N 0.317 121.524 121.223 -0.025 0.000 2.454 580 L HA 0.532 4.872 4.340 0.001 0.000 0.256 580 L C 1.096 177.952 176.870 -0.023 0.000 1.136 580 L CA -0.785 54.045 54.840 -0.018 0.000 0.804 580 L CB 1.349 43.402 42.059 -0.010 0.000 1.181 580 L HN 0.441 nan 8.230 nan 0.000 0.469 581 V N -0.327 119.580 119.914 -0.012 0.000 3.332 581 V HA 0.258 4.378 4.120 0.001 0.000 0.305 581 V C -0.316 175.771 176.094 -0.012 0.000 1.114 581 V CA -0.403 61.892 62.300 -0.009 0.000 1.194 581 V CB 0.244 32.069 31.823 0.003 0.000 1.027 581 V HN 0.766 nan 8.190 nan 0.000 0.492 582 D N 0.861 121.257 120.400 -0.006 0.000 2.477 582 D HA 0.710 5.350 4.640 0.001 0.000 0.234 582 D C -1.107 175.206 176.300 0.022 0.000 1.048 582 D CA -0.347 53.653 54.000 0.000 0.000 0.959 582 D CB 2.307 43.099 40.800 -0.012 0.000 1.408 582 D HN 0.672 nan 8.370 nan 0.000 0.496 583 L N 0.472 121.716 121.223 0.035 0.000 2.386 583 L HA 0.741 5.081 4.340 0.001 0.000 0.271 583 L C -1.459 175.450 176.870 0.065 0.000 0.993 583 L CA -0.624 54.244 54.840 0.047 0.000 0.819 583 L CB 1.725 43.812 42.059 0.047 0.000 1.294 583 L HN 0.460 nan 8.230 nan 0.000 0.414 584 A N 4.733 127.592 122.820 0.066 0.000 2.319 584 A HA 0.780 5.100 4.320 0.001 0.000 0.310 584 A C -1.460 176.157 177.584 0.055 0.000 1.152 584 A CA -0.501 51.586 52.037 0.084 0.000 0.783 584 A CB 1.267 20.326 19.000 0.097 0.000 1.184 584 A HN 0.511 nan 8.150 nan 0.000 0.474 585 V N 2.557 122.510 119.914 0.066 0.000 2.444 585 V HA 0.623 4.743 4.120 0.001 0.000 0.294 585 V C 0.894 177.009 176.094 0.035 0.000 1.022 585 V CA -0.292 62.008 62.300 -0.001 0.000 0.850 585 V CB 1.597 33.380 31.823 -0.066 0.000 0.992 585 V HN 1.114 nan 8.190 nan 0.000 0.426 586 G N 3.134 111.928 108.800 -0.010 0.000 2.444 586 G HA2 0.696 4.656 3.960 0.001 0.000 0.268 586 G HA3 0.696 4.656 3.960 0.001 0.000 0.268 586 G C -0.300 174.629 174.900 0.048 0.000 1.203 586 G CA 0.317 45.427 45.100 0.017 0.000 0.835 586 G HN 1.194 nan 8.290 nan 0.000 0.543 587 A N 1.780 124.669 122.820 0.114 0.000 2.594 587 A HA 0.745 5.066 4.320 0.001 0.000 0.291 587 A C 0.072 177.720 177.584 0.107 0.000 1.105 587 A CA -0.893 51.237 52.037 0.155 0.000 0.694 587 A CB 1.161 20.327 19.000 0.276 0.000 1.291 587 A HN 0.795 nan 8.150 nan 0.000 0.410 588 R N 0.322 120.831 120.500 0.016 0.000 2.483 588 R HA 0.357 4.697 4.340 0.001 0.000 0.329 588 R C 1.271 177.600 176.300 0.048 0.000 0.961 588 R CA 1.978 58.062 56.100 -0.026 0.000 1.041 588 R CB -0.462 29.641 30.300 -0.329 0.000 0.930 588 R HN 1.997 nan 8.270 nan 0.000 0.413 589 G N 2.786 111.691 108.800 0.175 0.000 2.490 589 G HA2 -0.307 3.654 3.960 0.001 0.000 0.214 589 G HA3 -0.307 3.654 3.960 0.001 0.000 0.214 589 G C -0.268 174.827 174.900 0.325 0.000 1.151 589 G CA 0.358 45.578 45.100 0.201 0.000 0.684 589 G HN 0.692 nan 8.290 nan 0.000 0.518 590 Q N -0.735 119.241 119.800 0.293 0.000 2.544 590 Q HA 0.800 5.140 4.340 0.001 0.000 0.291 590 Q C -1.571 174.624 176.000 0.326 0.000 1.068 590 Q CA -0.761 55.249 55.803 0.346 0.000 0.785 590 Q CB 2.861 31.702 28.738 0.172 0.000 1.481 590 Q HN 1.068 nan 8.270 nan 0.000 0.430 591 V N 1.813 121.941 119.914 0.357 0.000 2.686 591 V HA 0.535 4.655 4.120 0.001 0.000 0.306 591 V C -1.718 174.532 176.094 0.259 0.000 1.065 591 V CA -0.644 61.817 62.300 0.268 0.000 0.894 591 V CB 1.846 33.799 31.823 0.216 0.000 1.004 591 V HN 0.769 nan 8.190 nan 0.000 0.424 592 L N 6.252 127.599 121.223 0.207 0.000 2.334 592 L HA 0.661 5.001 4.340 0.001 0.000 0.270 592 L C -0.441 176.518 176.870 0.149 0.000 1.018 592 L CA -0.313 54.617 54.840 0.151 0.000 0.811 592 L CB 1.758 43.905 42.059 0.148 0.000 1.271 592 L HN 0.547 nan 8.230 nan 0.000 0.443 593 L N 2.704 123.990 121.223 0.105 0.000 2.343 593 L HA 0.452 4.792 4.340 0.001 0.000 0.278 593 L C -1.386 175.527 176.870 0.072 0.000 0.996 593 L CA -0.581 54.321 54.840 0.104 0.000 0.831 593 L CB 1.577 43.711 42.059 0.125 0.000 1.232 593 L HN 0.302 nan 8.230 nan 0.000 0.413 594 L N 4.757 126.023 121.223 0.071 0.000 2.276 594 L HA 0.459 4.799 4.340 0.001 0.000 0.286 594 L C 0.370 177.261 176.870 0.035 0.000 1.024 594 L CA -0.060 54.814 54.840 0.056 0.000 0.826 594 L CB 1.152 43.254 42.059 0.072 0.000 1.211 594 L HN 0.455 nan 8.230 nan 0.000 0.422 595 R N 0.725 121.237 120.500 0.020 0.000 2.637 595 R HA 0.544 4.884 4.340 0.001 0.000 0.269 595 R C -0.055 176.250 176.300 0.009 0.000 1.089 595 R CA -0.493 55.607 56.100 -0.000 0.000 1.177 595 R CB 0.502 30.791 30.300 -0.019 0.000 1.091 595 R HN 0.624 nan 8.270 nan 0.000 0.540 596 T N -0.052 114.502 114.554 -0.000 0.000 2.743 596 T HA 0.319 4.669 4.350 0.001 0.000 0.292 596 T C 0.113 174.816 174.700 0.006 0.000 0.972 596 T CA -1.111 60.989 62.100 0.000 0.000 0.967 596 T CB 1.016 69.879 68.868 -0.008 0.000 0.926 596 T HN 0.226 nan 8.240 nan 0.000 0.459 597 R N 3.706 124.217 120.500 0.017 0.000 2.316 597 R HA 0.271 4.611 4.340 0.001 0.000 0.314 597 R C -2.659 173.664 176.300 0.039 0.000 1.069 597 R CA -2.488 53.632 56.100 0.033 0.000 0.959 597 R CB -0.012 30.319 30.300 0.051 0.000 0.987 597 R HN 0.490 nan 8.270 nan 0.000 0.446 598 P HA -0.132 nan 4.420 nan 0.000 0.259 598 P C -0.158 177.198 177.300 0.093 0.000 1.163 598 P CA 0.376 63.504 63.100 0.046 0.000 0.760 598 P CB 0.293 32.011 31.700 0.030 0.000 0.762 599 V N 3.052 123.047 119.914 0.135 0.000 2.311 599 V HA 0.534 4.654 4.120 0.001 0.000 0.275 599 V C -0.360 175.886 176.094 0.252 0.000 1.022 599 V CA -0.987 61.473 62.300 0.268 0.000 0.830 599 V CB 0.347 32.427 31.823 0.429 0.000 1.012 599 V HN 0.207 nan 8.190 nan 0.000 0.452 600 L N 3.866 125.192 121.223 0.173 0.000 2.331 600 L HA 1.034 5.374 4.340 0.001 0.000 0.275 600 L C -0.391 176.612 176.870 0.222 0.000 1.022 600 L CA -1.040 53.809 54.840 0.015 0.000 0.812 600 L CB 1.030 43.053 42.059 -0.060 0.000 1.257 600 L HN 0.880 nan 8.230 nan 0.000 0.435 601 W N 1.170 122.511 121.300 0.067 0.000 2.902 601 W HA 0.906 5.566 4.660 0.001 0.000 0.346 601 W C -1.574 174.964 176.519 0.032 0.000 1.139 601 W CA -1.435 55.958 57.345 0.080 0.000 1.139 601 W CB 1.095 30.605 29.460 0.084 0.000 1.439 601 W HN 0.544 nan 8.180 nan 0.000 0.558 602 V N 1.521 121.587 119.914 0.254 0.000 2.914 602 V HA 0.943 5.064 4.120 0.001 0.000 0.314 602 V C -0.239 175.800 176.094 -0.092 0.000 1.084 602 V CA -0.604 61.673 62.300 -0.038 0.000 0.963 602 V CB 1.799 33.591 31.823 -0.053 0.000 1.025 602 V HN 1.099 nan 8.190 nan 0.000 0.432 603 G N 2.323 110.810 108.800 -0.522 0.000 2.417 603 G HA2 0.667 4.628 3.960 0.001 0.000 0.334 603 G HA3 0.667 4.628 3.960 0.001 0.000 0.334 603 G C -1.360 173.266 174.900 -0.457 0.000 1.150 603 G CA -0.392 44.383 45.100 -0.541 0.000 0.923 603 G HN 1.168 nan 8.290 nan 0.000 0.485 604 V N 0.347 120.108 119.914 -0.256 0.000 3.007 604 V HA 0.862 4.982 4.120 0.001 0.000 0.311 604 V C -0.526 175.520 176.094 -0.081 0.000 1.120 604 V CA -0.369 61.833 62.300 -0.162 0.000 0.980 604 V CB 2.453 34.050 31.823 -0.377 0.000 1.033 604 V HN 1.352 nan 8.190 nan 0.000 0.429 605 S N 6.273 121.960 115.700 -0.021 0.000 2.538 605 S HA 0.839 5.309 4.470 0.001 0.000 0.288 605 S C -0.962 173.601 174.600 -0.061 0.000 1.108 605 S CA -0.796 57.378 58.200 -0.044 0.000 0.971 605 S CB 1.710 64.886 63.200 -0.040 0.000 1.041 605 S HN 0.739 nan 8.310 nan 0.000 0.483 606 M N 2.337 121.891 119.600 -0.076 0.000 2.530 606 M HA 0.578 5.059 4.480 0.001 0.000 0.307 606 M C -0.714 175.475 176.300 -0.186 0.000 1.161 606 M CA -0.307 54.916 55.300 -0.128 0.000 0.903 606 M CB 2.543 35.078 32.600 -0.108 0.000 1.711 606 M HN 0.930 nan 8.290 nan 0.000 0.451 607 Q N 1.298 120.909 119.800 -0.315 0.000 2.578 607 Q HA 0.533 4.873 4.340 0.001 0.000 0.284 607 Q C -2.102 173.624 176.000 -0.457 0.000 0.960 607 Q CA -0.589 55.043 55.803 -0.286 0.000 0.809 607 Q CB 2.317 30.989 28.738 -0.110 0.000 1.462 607 Q HN 0.643 nan 8.270 nan 0.000 0.392 608 F N 3.028 122.996 119.950 0.031 0.000 2.366 608 F HA 0.400 4.927 4.527 0.001 0.000 0.366 608 F C 1.071 176.876 175.800 0.007 0.000 1.096 608 F CA -0.573 57.440 58.000 0.022 0.000 1.060 608 F CB 0.643 39.645 39.000 0.004 0.000 1.282 608 F HN 0.625 nan 8.300 nan 0.000 0.450 609 I N 2.532 123.190 120.570 0.147 0.000 2.093 609 I HA -0.237 3.934 4.170 0.001 0.000 0.239 609 I C -1.080 175.084 176.117 0.078 0.000 1.026 609 I CA 1.173 62.521 61.300 0.080 0.000 1.295 609 I CB -1.020 37.013 38.000 0.055 0.000 1.007 609 I HN 0.312 nan 8.210 nan 0.000 0.401 610 P HA 0.039 nan 4.420 nan 0.000 0.263 610 P C 0.259 177.589 177.300 0.051 0.000 1.247 610 P CA 0.340 63.465 63.100 0.041 0.000 0.876 610 P CB 0.828 32.535 31.700 0.012 0.000 0.928 611 A N 4.873 127.722 122.820 0.048 0.000 1.863 611 A HA -0.240 4.081 4.320 0.001 0.000 0.218 611 A C 1.093 178.684 177.584 0.012 0.000 1.233 611 A CA 1.843 53.915 52.037 0.058 0.000 0.655 611 A CB -0.721 18.303 19.000 0.039 0.000 0.839 611 A HN 0.621 nan 8.150 nan 0.000 0.454 612 E N -2.071 118.108 120.200 -0.035 0.000 2.573 612 E HA 0.717 5.067 4.350 0.001 0.000 0.218 612 E C -0.961 175.551 176.600 -0.147 0.000 0.777 612 E CA -1.032 55.303 56.400 -0.107 0.000 0.970 612 E CB 0.791 30.457 29.700 -0.057 0.000 1.666 612 E HN 0.257 nan 8.360 nan 0.000 0.384 613 I N 1.325 121.788 120.570 -0.178 0.000 2.404 613 I HA 0.238 4.409 4.170 0.001 0.000 0.293 613 I C -1.966 174.123 176.117 -0.047 0.000 0.992 613 I CA -2.412 58.804 61.300 -0.139 0.000 1.149 613 I CB 2.096 39.964 38.000 -0.220 0.000 1.315 613 I HN 0.408 nan 8.210 nan 0.000 0.446 614 P HA 0.020 nan 4.420 nan 0.000 0.249 614 P C 0.636 177.924 177.300 -0.021 0.000 1.241 614 P CA 0.167 63.254 63.100 -0.023 0.000 0.781 614 P CB 0.104 31.796 31.700 -0.013 0.000 1.088 615 R N -1.630 118.874 120.500 0.006 0.000 3.922 615 R HA -0.191 4.149 4.340 0.001 0.000 0.447 615 R C 1.128 177.486 176.300 0.096 0.000 1.035 615 R CA 0.999 57.099 56.100 -0.001 0.000 1.289 615 R CB -2.206 27.985 30.300 -0.182 0.000 1.906 615 R HN 0.109 nan 8.270 nan 0.000 0.540 616 S N -0.299 115.445 115.700 0.073 0.000 2.345 616 S HA 0.015 4.486 4.470 0.001 0.000 0.220 616 S C 1.164 175.821 174.600 0.095 0.000 1.031 616 S CA 1.228 59.468 58.200 0.066 0.000 0.996 616 S CB 0.119 63.341 63.200 0.035 0.000 0.882 616 S HN 0.556 nan 8.310 nan 0.000 0.445 617 A N 0.327 123.209 122.820 0.102 0.000 3.258 617 A HA 0.536 4.857 4.320 0.001 0.000 0.275 617 A C 0.382 178.056 177.584 0.150 0.000 1.452 617 A CA -0.529 51.564 52.037 0.093 0.000 1.120 617 A CB -0.579 18.451 19.000 0.050 0.000 1.107 617 A HN 0.423 nan 8.150 nan 0.000 0.651 618 F N -0.231 119.738 119.950 0.031 0.000 2.429 618 F HA 0.241 4.769 4.527 0.001 0.000 0.245 618 F C 1.767 177.582 175.800 0.025 0.000 1.048 618 F CA 1.088 59.118 58.000 0.049 0.000 1.013 618 F CB 0.175 39.205 39.000 0.050 0.000 1.141 618 F HN 0.317 nan 8.300 nan 0.000 0.653 619 E N 0.287 120.589 120.200 0.169 0.000 2.299 619 E HA 0.051 4.401 4.350 0.001 0.000 0.193 619 E C 0.799 177.401 176.600 0.004 0.000 0.998 619 E CA 0.673 57.068 56.400 -0.008 0.000 0.851 619 E CB 0.094 29.933 29.700 0.232 0.000 0.795 619 E HN 0.613 nan 8.360 nan 0.000 0.492 620 c N -0.864 117.768 118.600 0.054 0.000 0.168 620 c HA -0.228 4.342 4.570 0.001 0.000 0.017 620 c C -0.108 173.994 174.090 0.020 0.000 0.171 620 c CA -0.290 56.055 56.329 0.026 0.000 0.499 620 c CB -0.694 41.812 42.510 -0.007 0.000 3.212 620 c HN 0.580 nan 8.230 nan 0.000 1.118 621 R N -0.060 120.446 120.500 0.010 0.000 2.741 621 R HA 0.543 4.883 4.340 0.001 0.000 0.276 621 R C -0.932 175.370 176.300 0.003 0.000 1.028 621 R CA -0.300 55.806 56.100 0.009 0.000 0.865 621 R CB 1.051 31.361 30.300 0.016 0.000 1.268 621 R HN 0.875 nan 8.270 nan 0.000 0.475 622 E N 1.553 121.755 120.200 0.002 0.000 3.157 622 E HA 0.072 4.422 4.350 0.001 0.000 0.203 622 E C -1.153 175.448 176.600 0.002 0.000 0.982 622 E CA -0.138 56.262 56.400 -0.000 0.000 1.217 622 E CB 1.309 31.007 29.700 -0.003 0.000 1.123 622 E HN 0.394 nan 8.360 nan 0.000 0.457 623 Q N 0.277 120.079 119.800 0.004 0.000 2.333 623 Q HA 0.509 4.850 4.340 0.001 0.000 0.267 623 Q C 0.582 176.584 176.000 0.005 0.000 1.012 623 Q CA -0.630 55.176 55.803 0.004 0.000 0.824 623 Q CB 1.761 30.502 28.738 0.005 0.000 1.290 623 Q HN 0.011 nan 8.270 nan 0.000 0.449 624 V N -0.648 119.269 119.914 0.004 0.000 0.691 624 V HA -0.288 3.832 4.120 0.001 0.000 0.092 624 V C 0.296 176.392 176.094 0.004 0.000 0.769 624 V CA 0.696 62.998 62.300 0.004 0.000 3.097 624 V CB -2.329 29.497 31.823 0.006 0.000 0.181 624 V HN 1.450 nan 8.190 nan 0.000 0.064 625 V N -1.899 118.018 119.914 0.005 0.000 3.214 625 V HA 0.770 4.890 4.120 0.001 0.000 0.306 625 V C 0.729 176.825 176.094 0.004 0.000 1.078 625 V CA 0.248 62.551 62.300 0.005 0.000 1.077 625 V CB 1.271 33.098 31.823 0.006 0.000 1.121 625 V HN 1.644 nan 8.190 nan 0.000 0.468 626 S N 1.920 117.622 115.700 0.003 0.000 2.423 626 S HA 0.209 4.679 4.470 0.001 0.000 0.302 626 S C 0.146 174.749 174.600 0.006 0.000 1.143 626 S CA -0.090 58.112 58.200 0.003 0.000 1.080 626 S CB -0.556 62.644 63.200 0.000 0.000 1.081 626 S HN 0.835 nan 8.310 nan 0.000 0.522 627 E N 3.262 123.467 120.200 0.009 0.000 1.861 627 E HA 0.042 4.393 4.350 0.001 0.000 0.263 627 E C -0.227 176.379 176.600 0.010 0.000 1.137 627 E CA -0.184 56.222 56.400 0.010 0.000 0.944 627 E CB 0.284 29.992 29.700 0.013 0.000 1.092 627 E HN 0.600 nan 8.360 nan 0.000 0.420 628 Q N 1.603 121.408 119.800 0.008 0.000 2.244 628 Q HA 0.028 4.368 4.340 0.001 0.000 0.276 628 Q C 0.123 176.127 176.000 0.006 0.000 1.122 628 Q CA 0.347 56.153 55.803 0.005 0.000 0.920 628 Q CB 0.513 29.253 28.738 0.003 0.000 1.186 628 Q HN 0.289 nan 8.270 nan 0.000 0.393 629 T N 2.366 116.923 114.554 0.004 0.000 2.903 629 T HA 0.129 4.479 4.350 0.001 0.000 0.314 629 T C -0.337 174.363 174.700 -0.001 0.000 1.078 629 T CA -0.166 61.935 62.100 0.002 0.000 1.114 629 T CB 0.305 69.172 68.868 -0.002 0.000 0.987 629 T HN 0.303 nan 8.240 nan 0.000 0.548 630 L N 4.656 125.882 121.223 0.004 0.000 2.337 630 L HA 0.494 4.835 4.340 0.001 0.000 0.269 630 L C -0.717 176.163 176.870 0.016 0.000 1.018 630 L CA -0.357 54.492 54.840 0.015 0.000 0.876 630 L CB 0.699 42.773 42.059 0.025 0.000 1.236 630 L HN 0.375 nan 8.230 nan 0.000 0.436 631 V N 4.412 124.332 119.914 0.010 0.000 2.607 631 V HA 0.382 4.502 4.120 0.001 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 0.675 nan 8.190 nan 0.000 0.476 632 Q N 1.845 121.720 119.800 0.125 0.000 2.282 632 Q HA 0.516 4.856 4.340 0.001 0.000 0.260 632 Q C -0.677 175.469 176.000 0.244 0.000 0.964 632 Q CA -0.250 55.649 55.803 0.160 0.000 0.880 632 Q CB 2.078 30.873 28.738 0.094 0.000 1.286 632 Q HN 0.727 nan 8.270 nan 0.000 0.445 633 S N 2.746 118.610 115.700 0.273 0.000 2.596 633 S HA 0.325 4.795 4.470 0.001 0.000 0.318 633 S C -1.100 173.575 174.600 0.125 0.000 1.097 633 S CA -0.701 57.627 58.200 0.213 0.000 1.080 633 S CB 0.611 64.024 63.200 0.355 0.000 0.991 633 S HN 0.596 nan 8.310 nan 0.000 0.471 634 N N 5.202 123.896 118.700 -0.011 0.000 2.424 634 N HA 0.487 5.227 4.740 0.001 0.000 0.271 634 N C -1.048 174.440 175.510 -0.036 0.000 0.985 634 N CA -0.356 52.681 53.050 -0.022 0.000 0.921 634 N CB 0.705 39.158 38.487 -0.057 0.000 1.149 634 N HN 0.675 nan 8.380 nan 0.000 0.492 635 I N 1.726 122.317 120.570 0.035 0.000 2.603 635 I HA 0.489 4.659 4.170 0.001 0.000 0.300 635 I C -0.354 175.781 176.117 0.030 0.000 1.017 635 I CA -0.808 60.514 61.300 0.037 0.000 1.098 635 I CB 1.900 39.969 38.000 0.115 0.000 1.279 635 I HN 0.342 nan 8.210 nan 0.000 0.437 636 c N 5.129 123.740 118.600 0.018 0.000 2.797 636 c HA 0.713 5.284 4.570 0.001 0.000 0.306 636 c C -0.518 173.625 174.090 0.088 0.000 1.207 636 c CA -0.813 55.537 56.329 0.036 0.000 1.507 636 c CB 1.723 44.220 42.510 -0.023 0.000 2.028 636 c HN 0.550 nan 8.230 nan 0.000 0.475 637 L N 2.764 124.071 121.223 0.140 0.000 2.438 637 L HA 0.671 5.011 4.340 0.001 0.000 0.270 637 L C -1.189 175.804 176.870 0.205 0.000 0.972 637 L CA -0.491 54.415 54.840 0.109 0.000 0.831 637 L CB 1.492 43.534 42.059 -0.028 0.000 1.273 637 L HN 0.909 nan 8.230 nan 0.000 0.405 638 Y N 2.493 122.756 120.300 -0.061 0.000 2.519 638 Y HA 0.757 5.307 4.550 0.000 0.000 0.336 638 Y C -1.024 174.847 175.900 -0.048 0.000 1.089 638 Y CA -1.376 56.699 58.100 -0.042 0.000 1.025 638 Y CB 1.248 39.687 38.460 -0.036 0.000 1.318 638 Y HN 0.420 nan 8.280 nan 0.000 0.452 639 I N 1.346 121.840 120.570 -0.128 0.000 2.412 639 I HA 0.555 4.725 4.170 0.001 0.000 0.296 639 I C -0.628 175.394 176.117 -0.160 0.000 0.987 639 I CA -0.564 60.602 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 3.837 124.096 120.400 -0.234 0.000 2.504 640 D HA 0.044 4.684 4.640 0.001 0.000 0.276 640 D C 0.362 176.547 176.300 -0.192 0.000 1.073 640 D CA 0.086 54.011 54.000 -0.125 0.000 0.905 640 D CB 0.285 41.070 40.800 -0.024 0.000 1.350 640 D HN 0.491 nan 8.370 nan 0.000 0.496 641 K N 0.806 120.975 120.400 -0.386 0.000 2.276 641 K HA 0.310 4.630 4.320 0.001 0.000 0.285 641 K C 1.088 177.392 176.600 -0.493 0.000 1.062 641 K CA -0.219 55.801 56.287 -0.445 0.000 0.918 641 K CB 0.986 33.103 32.500 -0.638 0.000 1.055 641 K HN 0.166 nan 8.250 nan 0.000 0.477 642 R N 0.837 121.176 120.500 -0.267 0.000 2.709 642 R HA -0.012 4.329 4.340 0.001 0.000 0.200 642 R C 1.157 177.394 176.300 -0.104 0.000 0.974 642 R CA 0.510 56.499 56.100 -0.185 0.000 1.416 642 R CB -0.404 29.818 30.300 -0.130 0.000 1.709 642 R HN 0.517 nan 8.270 nan 0.000 0.546 643 S N 2.995 118.652 115.700 -0.072 0.000 2.414 643 S HA -0.372 4.098 4.470 0.001 0.000 0.241 643 S C 1.850 176.438 174.600 -0.021 0.000 1.079 643 S CA 2.122 60.304 58.200 -0.031 0.000 1.087 643 S CB -0.575 62.622 63.200 -0.005 0.000 0.927 643 S HN 0.669 nan 8.310 nan 0.000 0.456 644 K N 1.755 122.144 120.400 -0.018 0.000 2.007 644 K HA 0.021 4.342 4.320 0.001 0.000 0.206 644 K C 1.597 178.188 176.600 -0.016 0.000 1.047 644 K CA 1.315 57.599 56.287 -0.006 0.000 0.937 644 K CB -0.530 31.976 32.500 0.011 0.000 0.718 644 K HN 0.238 nan 8.250 nan 0.000 0.438 645 N N 1.197 119.879 118.700 -0.029 0.000 2.453 645 N HA 0.056 4.796 4.740 0.001 0.000 0.183 645 N C 0.416 175.908 175.510 -0.029 0.000 1.041 645 N CA 0.706 53.739 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 -1.065 120.139 121.223 -0.032 0.000 0.598 646 L HA -0.287 4.053 4.340 0.001 0.000 0.356 646 L C 0.255 177.108 176.870 -0.028 0.000 1.008 646 L CA -0.093 54.731 54.840 -0.027 0.000 1.223 646 L CB -0.590 41.457 42.059 -0.019 0.000 0.045 646 L HN 0.065 nan 8.230 nan 0.000 0.093 647 L N 0.084 121.294 121.223 -0.023 0.000 2.456 647 L HA 0.426 4.766 4.340 0.001 0.000 0.266 647 L C 1.258 178.116 176.870 -0.019 0.000 1.258 647 L CA 1.047 55.874 54.840 -0.021 0.000 0.823 647 L CB -0.184 41.865 42.059 -0.016 0.000 1.100 647 L HN 0.960 nan 8.230 nan 0.000 0.531 648 G N -0.011 108.778 108.800 -0.018 0.000 2.760 648 G HA2 -0.209 3.751 3.960 0.001 0.000 0.246 648 G HA3 -0.209 3.751 3.960 0.001 0.000 0.246 648 G C -0.351 174.538 174.900 -0.018 0.000 1.359 648 G CA -0.489 44.601 45.100 -0.016 0.000 0.861 648 G HN 0.682 nan 8.290 nan 0.000 0.541 649 S N -0.010 115.679 115.700 -0.018 0.000 2.631 649 S HA 0.147 4.617 4.470 0.001 0.000 0.311 649 S C 1.535 176.122 174.600 -0.022 0.000 1.254 649 S CA 1.836 60.023 58.200 -0.021 0.000 1.039 649 S CB 0.581 63.769 63.200 -0.020 0.000 0.753 649 S HN 1.895 nan 8.310 nan 0.000 0.494 650 R N 1.429 121.914 120.500 -0.025 0.000 1.354 650 R HA -0.258 4.082 4.340 0.001 0.000 0.055 650 R C 0.995 177.281 176.300 -0.024 0.000 0.949 650 R CA 1.755 57.841 56.100 -0.023 0.000 1.971 650 R CB -1.812 28.477 30.300 -0.019 0.000 0.284 650 R HN 0.654 nan 8.270 nan 0.000 0.723 651 D N 0.197 120.580 120.400 -0.027 0.000 2.351 651 D HA -0.017 4.623 4.640 0.001 0.000 0.216 651 D C 1.244 177.523 176.300 -0.035 0.000 0.968 651 D CA 1.393 55.371 54.000 -0.037 0.000 0.899 651 D CB 0.175 40.951 40.800 -0.040 0.000 0.907 651 D HN 0.300 nan 8.370 nan 0.000 0.514 652 L N -0.235 120.972 121.223 -0.027 0.000 3.013 652 L HA 0.242 4.582 4.340 0.001 0.000 0.181 652 L C 0.856 177.713 176.870 -0.021 0.000 1.369 652 L CA 0.014 54.840 54.840 -0.022 0.000 1.743 652 L CB -1.276 40.773 42.059 -0.017 0.000 1.790 652 L HN -0.100 nan 8.230 nan 0.000 0.899 653 Q N 1.211 120.998 119.800 -0.022 0.000 2.348 653 Q HA 0.138 4.479 4.340 0.001 0.000 0.331 653 Q C -1.080 174.905 176.000 -0.025 0.000 1.099 653 Q CA 0.822 56.610 55.803 -0.025 0.000 1.021 653 Q CB 0.240 28.961 28.738 -0.029 0.000 1.166 653 Q HN 0.549 nan 8.270 nan 0.000 0.393 654 S N 1.503 117.188 115.700 -0.025 0.000 2.354 654 S HA 0.194 4.664 4.470 0.001 0.000 0.306 654 S C -0.935 173.653 174.600 -0.020 0.000 0.900 654 S CA -0.892 57.298 58.200 -0.017 0.000 0.921 654 S CB 0.599 63.797 63.200 -0.004 0.000 1.209 654 S HN 0.478 nan 8.310 nan 0.000 0.433 655 S N 1.693 117.380 115.700 -0.021 0.000 2.589 655 S HA 0.697 5.167 4.470 0.001 0.000 0.265 655 S C 0.065 174.664 174.600 -0.002 0.000 1.342 655 S CA -0.364 57.822 58.200 -0.024 0.000 1.005 655 S CB 0.887 64.074 63.200 -0.021 0.000 0.909 655 S HN 0.937 nan 8.310 nan 0.000 0.555 656 V N 0.991 120.905 119.914 -0.001 0.000 3.087 656 V HA 0.483 4.603 4.120 0.001 0.000 0.306 656 V C -0.371 175.746 176.094 0.038 0.000 1.187 656 V CA -1.031 61.294 62.300 0.041 0.000 0.999 656 V CB 2.553 34.421 31.823 0.075 0.000 1.049 656 V HN 1.003 nan 8.190 nan 0.000 0.431 657 T N 1.920 116.509 114.554 0.058 0.000 2.767 657 T HA 0.798 5.148 4.350 0.001 0.000 0.284 657 T C -0.714 174.034 174.700 0.079 0.000 0.973 657 T CA -0.467 61.661 62.100 0.046 0.000 0.996 657 T CB 0.776 69.660 68.868 0.026 0.000 0.927 657 T HN 0.383 nan 8.240 nan 0.000 0.456 658 L N 2.661 123.916 121.223 0.053 0.000 2.317 658 L HA 0.586 4.926 4.340 0.001 0.000 0.281 658 L C -0.535 176.336 176.870 0.001 0.000 1.024 658 L CA -0.783 54.092 54.840 0.057 0.000 0.810 658 L CB 1.449 43.529 42.059 0.035 0.000 1.240 658 L HN 0.676 nan 8.230 nan 0.000 0.427 659 D N 3.278 123.695 120.400 0.027 0.000 2.363 659 D HA 0.382 5.023 4.640 0.001 0.000 0.258 659 D C -0.727 175.590 176.300 0.030 0.000 1.259 659 D CA -0.194 53.810 54.000 0.006 0.000 0.921 659 D CB 1.022 41.851 40.800 0.048 0.000 1.201 659 D HN 0.184 nan 8.370 nan 0.000 0.524 660 L N 1.045 122.226 121.223 -0.070 0.000 2.371 660 L HA 0.827 5.168 4.340 0.001 0.000 0.272 660 L C 0.288 177.263 176.870 0.176 0.000 1.124 660 L CA -0.777 54.079 54.840 0.026 0.000 0.816 660 L CB 1.175 43.143 42.059 -0.152 0.000 1.129 660 L HN 0.289 nan 8.230 nan 0.000 0.448 661 A N 3.620 126.597 122.820 0.261 0.000 2.465 661 A HA 0.718 5.038 4.320 0.001 0.000 0.292 661 A C -1.201 176.491 177.584 0.181 0.000 1.041 661 A CA -0.507 51.672 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 1.343 122.634 121.223 0.114 0.000 2.343 662 L HA 0.522 4.863 4.340 0.001 0.000 0.275 662 L C 0.002 176.890 176.870 0.030 0.000 1.056 662 L CA -0.114 54.752 54.840 0.043 0.000 0.804 662 L CB 0.778 42.790 42.059 -0.079 0.000 1.203 662 L HN 0.706 nan 8.230 nan 0.000 0.440 663 D N 1.566 121.986 120.400 0.034 0.000 2.829 663 D HA -0.178 4.462 4.640 0.001 0.000 0.219 663 D C -1.749 174.561 176.300 0.016 0.000 1.239 663 D CA 0.309 54.324 54.000 0.024 0.000 0.685 663 D CB -0.419 40.388 40.800 0.011 0.000 0.950 663 D HN 0.400 nan 8.370 nan 0.000 0.398 664 P HA -0.078 nan 4.420 nan 0.000 0.214 664 P C 1.681 178.975 177.300 -0.009 0.000 1.162 664 P CA 1.573 64.678 63.100 0.007 0.000 0.879 664 P CB 0.115 31.814 31.700 -0.001 0.000 0.786 665 G N 0.015 108.806 108.800 -0.015 0.000 2.535 665 G HA2 -0.164 3.796 3.960 0.001 0.000 0.218 665 G HA3 -0.164 3.796 3.960 0.001 0.000 0.218 665 G C 0.621 175.508 174.900 -0.021 0.000 1.122 665 G CA 0.035 45.120 45.100 -0.024 0.000 0.769 665 G HN 0.332 nan 8.290 nan 0.000 0.549 666 R N -0.409 120.082 120.500 -0.015 0.000 2.664 666 R HA 0.488 4.828 4.340 0.001 0.000 0.286 666 R C -0.345 175.946 176.300 -0.015 0.000 0.967 666 R CA -0.964 55.125 56.100 -0.017 0.000 0.933 666 R CB 1.073 31.362 30.300 -0.018 0.000 1.146 666 R HN -0.005 nan 8.270 nan 0.000 0.468 667 L N 2.022 123.235 121.223 -0.017 0.000 2.862 667 L HA 0.116 4.456 4.340 0.001 0.000 0.240 667 L C -0.092 176.768 176.870 -0.016 0.000 1.283 667 L CA 0.013 54.844 54.840 -0.015 0.000 1.117 667 L CB 0.034 42.084 42.059 -0.015 0.000 1.444 667 L HN 0.788 nan 8.230 nan 0.000 0.456 668 S N -1.711 113.979 115.700 -0.018 0.000 2.317 668 S HA 0.380 4.851 4.470 0.001 0.000 0.144 668 S C -2.564 172.024 174.600 -0.021 0.000 1.660 668 S CA -1.279 56.908 58.200 -0.022 0.000 1.273 668 S CB 0.514 63.696 63.200 -0.029 0.000 1.330 668 S HN -0.090 nan 8.310 nan 0.000 0.395 669 P HA 0.153 nan 4.420 nan 0.000 0.258 669 P C 0.499 177.783 177.300 -0.027 0.000 1.172 669 P CA 0.038 63.126 63.100 -0.021 0.000 0.762 669 P CB 0.419 32.108 31.700 -0.019 0.000 0.764 670 R N 2.341 122.826 120.500 -0.025 0.000 2.313 670 R HA 0.395 4.735 4.340 0.001 0.000 0.199 670 R C 0.302 176.580 176.300 -0.036 0.000 0.958 670 R CA 0.483 56.574 56.100 -0.015 0.000 1.047 670 R CB 0.078 30.393 30.300 0.024 0.000 0.955 670 R HN 0.619 nan 8.270 nan 0.000 0.481 671 A N -2.003 120.775 122.820 -0.070 0.000 2.438 671 A HA 0.538 4.858 4.320 0.001 0.000 0.301 671 A C -1.284 176.210 177.584 -0.151 0.000 1.101 671 A CA -0.265 51.706 52.037 -0.110 0.000 0.621 671 A CB 0.686 19.596 19.000 -0.149 0.000 1.350 671 A HN 0.167 nan 8.150 nan 0.000 0.496 672 T N -2.080 112.357 114.554 -0.196 0.000 2.885 672 T HA 0.665 5.015 4.350 0.001 0.000 0.322 672 T C -0.835 173.723 174.700 -0.237 0.000 1.387 672 T CA -0.541 61.443 62.100 -0.194 0.000 1.041 672 T CB 0.588 69.430 68.868 -0.042 0.000 1.287 672 T HN 0.780 nan 8.240 nan 0.000 0.491 673 F N 1.487 121.459 119.950 0.036 0.000 2.418 673 F HA 0.412 4.940 4.527 0.001 0.000 0.341 673 F C 2.171 178.004 175.800 0.055 0.000 1.120 673 F CA -0.547 57.484 58.000 0.053 0.000 1.232 673 F CB 1.034 40.051 39.000 0.028 0.000 1.175 673 F HN 0.777 nan 8.300 nan 0.000 0.569 674 Q N 0.964 120.917 119.800 0.255 0.000 2.096 674 Q HA -0.167 4.173 4.340 0.001 0.000 0.197 674 Q C 1.910 178.001 176.000 0.153 0.000 0.964 674 Q CA 1.271 57.171 55.803 0.161 0.000 0.838 674 Q CB 0.015 28.832 28.738 0.132 0.000 0.906 674 Q HN 0.767 nan 8.270 nan 0.000 0.444 675 E N -0.391 119.919 120.200 0.182 0.000 2.130 675 E HA -0.189 4.161 4.350 0.001 0.000 0.196 675 E C 1.494 178.155 176.600 0.102 0.000 0.998 675 E CA 1.966 58.447 56.400 0.135 0.000 0.806 675 E CB -0.187 29.603 29.700 0.149 0.000 0.738 675 E HN 0.304 nan 8.360 nan 0.000 0.459 676 T N -2.358 112.266 114.554 0.117 0.000 2.955 676 T HA 0.163 4.513 4.350 0.001 0.000 0.251 676 T C 0.791 175.548 174.700 0.095 0.000 1.002 676 T CA 0.670 62.823 62.100 0.088 0.000 0.970 676 T CB -0.142 68.767 68.868 0.068 0.000 1.091 676 T HN 0.282 nan 8.240 nan 0.000 0.495 677 K N -0.083 120.390 120.400 0.122 0.000 3.609 677 K HA -0.150 4.170 4.320 0.001 0.000 0.277 677 K C -0.336 176.317 176.600 0.088 0.000 1.196 677 K CA 0.879 57.222 56.287 0.092 0.000 1.022 677 K CB -1.385 31.152 32.500 0.063 0.000 1.292 677 K HN 0.351 nan 8.250 nan 0.000 0.484 678 N N 0.191 118.961 118.700 0.117 0.000 2.347 678 N HA 0.116 4.857 4.740 0.001 0.000 0.253 678 N C 0.827 176.417 175.510 0.134 0.000 1.274 678 N CA 0.310 53.425 53.050 0.110 0.000 0.941 678 N CB 0.526 39.078 38.487 0.107 0.000 1.200 678 N HN 0.275 nan 8.380 nan 0.000 0.514 679 R N -1.336 119.221 120.500 0.094 0.000 2.313 679 R HA 0.228 4.568 4.340 0.001 0.000 0.199 679 R C -0.224 176.180 176.300 0.173 0.000 0.958 679 R CA 0.139 56.272 56.100 0.055 0.000 1.047 679 R CB -0.431 29.884 30.300 0.024 0.000 0.955 679 R HN 0.423 nan 8.270 nan 0.000 0.481 680 S N -0.611 115.273 115.700 0.308 0.000 2.656 680 S HA 0.759 5.229 4.470 0.001 0.000 0.273 680 S C -1.107 173.610 174.600 0.195 0.000 1.168 680 S CA -0.734 57.701 58.200 0.391 0.000 0.817 680 S CB 1.575 64.884 63.200 0.182 0.000 1.146 680 S HN 0.353 nan 8.310 nan 0.000 0.475 681 L N -2.070 119.075 121.223 -0.130 0.000 2.710 681 L HA 0.972 5.312 4.340 0.001 0.000 0.260 681 L C -0.970 175.736 176.870 -0.273 0.000 0.993 681 L CA -0.428 54.249 54.840 -0.272 0.000 0.877 681 L CB 1.445 43.180 42.059 -0.540 0.000 1.461 681 L HN 0.896 nan 8.230 nan 0.000 0.413 682 S N 0.613 116.206 115.700 -0.178 0.000 2.541 682 S HA 0.892 5.362 4.470 0.001 0.000 0.280 682 S C -1.251 173.297 174.600 -0.086 0.000 1.112 682 S CA -0.643 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 2.320 122.788 120.500 -0.053 0.000 2.535 683 R HA 0.375 4.715 4.340 0.001 0.000 0.274 683 R C -1.733 174.581 176.300 0.022 0.000 1.090 683 R CA -0.722 55.382 56.100 0.006 0.000 0.930 683 R CB 1.938 32.274 30.300 0.060 0.000 1.223 683 R HN 0.464 nan 8.270 nan 0.000 0.441 684 V N 4.509 124.433 119.914 0.018 0.000 2.385 684 V HA 0.414 4.534 4.120 0.001 0.000 0.269 684 V C 0.286 176.378 176.094 -0.004 0.000 1.043 684 V CA -0.168 62.137 62.300 0.008 0.000 0.906 684 V CB 0.730 32.555 31.823 0.004 0.000 0.995 684 V HN 0.584 nan 8.190 nan 0.000 0.467 685 R N 3.069 123.546 120.500 -0.039 0.000 2.837 685 R HA 0.646 4.987 4.340 0.001 0.000 0.271 685 R C -1.173 175.010 176.300 -0.194 0.000 0.993 685 R CA -0.943 55.088 56.100 -0.115 0.000 0.931 685 R CB 2.531 32.739 30.300 -0.154 0.000 1.206 685 R HN 0.450 nan 8.270 nan 0.000 0.474 686 V N 3.798 123.577 119.914 -0.225 0.000 2.488 686 V HA 0.320 4.441 4.120 0.001 0.000 0.277 686 V C -0.179 175.779 176.094 -0.225 0.000 1.046 686 V CA -0.227 61.974 62.300 -0.165 0.000 0.986 686 V CB 0.578 32.352 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 0.924 5.265 4.340 0.001 0.000 0.264 687 L C 0.652 177.507 176.870 -0.025 0.000 1.061 687 L CA -0.066 54.728 54.840 -0.077 0.000 0.799 687 L CB 1.766 43.796 42.059 -0.048 0.000 1.240 687 L HN 0.815 nan 8.230 nan 0.000 0.461 688 G N -0.372 108.432 108.800 0.007 0.000 2.649 688 G HA2 0.401 4.362 3.960 0.001 0.000 0.290 688 G HA3 0.401 4.362 3.960 0.001 0.000 0.290 688 G C -0.190 174.723 174.900 0.022 0.000 1.426 688 G CA -0.657 44.450 45.100 0.011 0.000 0.794 688 G HN 0.523 nan 8.290 nan 0.000 0.483 689 L N -1.557 119.672 121.223 0.011 0.000 2.456 689 L HA 0.410 4.750 4.340 0.001 0.000 0.224 689 L C 1.017 177.922 176.870 0.058 0.000 1.148 689 L CA 0.883 55.734 54.840 0.018 0.000 0.825 689 L CB -0.587 41.469 42.059 -0.005 0.000 0.937 689 L HN 0.208 nan 8.230 nan 0.000 0.450 690 K N 1.841 122.270 120.400 0.050 0.000 2.183 690 K HA 0.661 4.982 4.320 0.001 0.000 0.274 690 K C 0.122 176.768 176.600 0.078 0.000 1.009 690 K CA -0.077 56.240 56.287 0.049 0.000 0.888 690 K CB 1.094 33.608 32.500 0.023 0.000 1.078 690 K HN 0.262 nan 8.250 nan 0.000 0.459 691 A N 3.329 126.188 122.820 0.065 0.000 2.615 691 A HA 0.024 4.344 4.320 0.001 0.000 0.230 691 A C -0.633 177.011 177.584 0.100 0.000 1.062 691 A CA 0.589 52.674 52.037 0.079 0.000 0.758 691 A CB -0.313 18.653 19.000 -0.056 0.000 0.995 691 A HN 0.907 nan 8.150 nan 0.000 0.511 692 H N -0.153 118.925 119.070 0.013 0.000 2.991 692 H HA 0.478 5.034 4.556 0.001 0.000 0.304 692 H C -1.275 174.042 175.328 -0.017 0.000 1.040 692 H CA -0.581 55.463 56.048 -0.007 0.000 1.410 692 H CB 0.634 30.397 29.762 0.001 0.000 1.529 692 H HN 0.648 nan 8.280 nan 0.000 0.509 693 c N 4.270 122.676 118.600 -0.324 0.000 2.295 693 c HA 0.469 5.040 4.570 0.001 0.000 0.331 693 c C -0.060 173.804 174.090 -0.377 0.000 1.280 693 c CA -0.512 55.667 56.329 -0.249 0.000 1.746 693 c CB 0.110 42.520 42.510 -0.166 0.000 2.328 693 c HN 0.883 nan 8.230 nan 0.000 0.521 694 E N 2.852 122.883 120.200 -0.280 0.000 2.275 694 E HA 0.409 4.759 4.350 0.001 0.000 0.270 694 E C -1.222 175.111 176.600 -0.445 0.000 0.882 694 E CA -0.381 55.785 56.400 -0.389 0.000 0.758 694 E CB 1.077 30.530 29.700 -0.410 0.000 1.195 694 E HN 0.833 nan 8.360 nan 0.000 0.419 695 N N 3.028 121.460 118.700 -0.445 0.000 2.430 695 N HA 0.417 5.158 4.740 0.001 0.000 0.292 695 N C -1.320 173.926 175.510 -0.440 0.000 1.051 695 N CA -0.339 52.532 53.050 -0.298 0.000 0.917 695 N CB 0.669 39.084 38.487 -0.120 0.000 1.164 695 N HN 0.176 nan 8.380 nan 0.000 0.484 696 F N -0.266 119.740 119.950 0.093 0.000 2.523 696 F HA 0.460 4.987 4.527 0.001 0.000 0.329 696 F C 0.481 176.392 175.800 0.186 0.000 1.061 696 F CA -1.063 57.022 58.000 0.142 0.000 0.967 696 F CB 1.261 40.369 39.000 0.180 0.000 1.218 696 F HN 0.268 nan 8.300 nan 0.000 0.480 697 N N 1.723 120.653 118.700 0.384 0.000 2.455 697 N HA 0.537 5.277 4.740 0.001 0.000 0.280 697 N C -1.290 174.374 175.510 0.258 0.000 1.055 697 N CA -0.322 52.880 53.050 0.253 0.000 0.961 697 N CB 1.458 40.049 38.487 0.173 0.000 1.121 697 N HN 0.308 nan 8.380 nan 0.000 0.476 698 L N 1.856 123.164 121.223 0.141 0.000 2.362 698 L HA 0.543 4.883 4.340 0.001 0.000 0.271 698 L C -0.719 176.148 176.870 -0.004 0.000 1.002 698 L CA -0.609 54.242 54.840 0.018 0.000 0.818 698 L CB 1.560 43.605 42.059 -0.024 0.000 1.298 698 L HN 0.267 nan 8.230 nan 0.000 0.420 699 L N 3.678 124.876 121.223 -0.042 0.000 2.342 699 L HA 0.512 4.852 4.340 0.001 0.000 0.276 699 L C -0.742 176.102 176.870 -0.045 0.000 0.997 699 L CA -0.013 54.812 54.840 -0.025 0.000 0.838 699 L CB 1.305 43.361 42.059 -0.005 0.000 1.224 699 L HN 0.374 nan 8.230 nan 0.000 0.416 700 L N 6.097 127.297 121.223 -0.038 0.000 2.265 700 L HA 0.471 4.811 4.340 0.001 0.000 0.288 700 L C -1.886 174.974 176.870 -0.016 0.000 1.058 700 L CA -1.794 53.025 54.840 -0.034 0.000 0.809 700 L CB 1.201 43.236 42.059 -0.040 0.000 1.179 700 L HN 0.342 nan 8.230 nan 0.000 0.429 701 P HA 0.011 nan 4.420 nan 0.000 0.268 701 P C 0.651 177.943 177.300 -0.013 0.000 1.204 701 P CA -0.181 62.910 63.100 -0.016 0.000 0.768 701 P CB 1.019 32.705 31.700 -0.023 0.000 0.842 702 S N 2.102 117.797 115.700 -0.009 0.000 2.372 702 S HA -0.155 4.315 4.470 0.001 0.000 0.227 702 S C 0.771 175.357 174.600 -0.025 0.000 1.044 702 S CA 0.832 59.031 58.200 -0.002 0.000 1.050 702 S CB -1.130 62.072 63.200 0.002 0.000 0.901 702 S HN 0.578 nan 8.310 nan 0.000 0.447 703 c N 1.982 120.556 118.600 -0.044 0.000 2.319 703 c HA 0.899 5.469 4.570 0.001 0.000 0.335 703 c C 0.002 174.029 174.090 -0.106 0.000 1.274 703 c CA -0.886 55.393 56.329 -0.083 0.000 1.806 703 c CB 0.548 43.020 42.510 -0.064 0.000 2.329 703 c HN 0.419 nan 8.230 nan 0.000 0.524 704 V N 2.654 122.461 119.914 -0.178 0.000 3.048 704 V HA 0.278 4.398 4.120 0.001 0.000 0.303 704 V C 0.252 176.198 176.094 -0.246 0.000 1.214 704 V CA -0.460 61.732 62.300 -0.180 0.000 0.984 704 V CB 1.830 33.563 31.823 -0.149 0.000 1.054 704 V HN 0.948 nan 8.190 nan 0.000 0.430 705 E N 0.814 120.902 120.200 -0.187 0.000 2.013 705 E HA -0.058 4.292 4.350 0.001 0.000 0.194 705 E C 0.180 176.640 176.600 -0.233 0.000 0.973 705 E CA 0.686 56.976 56.400 -0.183 0.000 0.842 705 E CB 0.083 29.709 29.700 -0.123 0.000 0.801 705 E HN 0.780 nan 8.360 nan 0.000 0.476 706 D N -0.181 120.092 120.400 -0.211 0.000 2.383 706 D HA -0.002 4.638 4.640 0.001 0.000 0.252 706 D C 0.248 176.284 176.300 -0.440 0.000 1.166 706 D CA 0.204 54.052 54.000 -0.253 0.000 0.879 706 D CB 1.084 41.774 40.800 -0.183 0.000 1.164 706 D HN 0.113 nan 8.370 nan 0.000 0.462 707 S N 1.593 116.971 115.700 -0.537 0.000 2.619 707 S HA -0.044 4.427 4.470 0.001 0.000 0.238 707 S C 1.969 176.016 174.600 -0.923 0.000 1.068 707 S CA 0.428 58.010 58.200 -1.030 0.000 0.926 707 S CB -0.535 62.419 63.200 -0.411 0.000 0.864 707 S HN 0.321 nan 8.310 nan 0.000 0.493 708 V N 2.423 122.073 119.914 -0.440 0.000 2.287 708 V HA 0.002 4.123 4.120 0.001 0.000 0.248 708 V C 1.432 177.414 176.094 -0.187 0.000 1.053 708 V CA 1.697 63.814 62.300 -0.304 0.000 1.027 708 V CB -2.338 29.372 31.823 -0.187 0.000 0.646 708 V HN 0.725 nan 8.190 nan 0.000 0.447 709 T N -0.472 113.977 114.554 -0.175 0.000 2.727 709 T HA 0.483 4.833 4.350 0.001 0.000 0.295 709 T C -2.256 172.471 174.700 0.044 0.000 0.915 709 T CA -1.717 60.359 62.100 -0.039 0.000 1.066 709 T CB 0.586 69.437 68.868 -0.028 0.000 0.891 709 T HN 0.355 nan 8.240 nan 0.000 0.516 710 P HA 0.099 nan 4.420 nan 0.000 0.269 710 P C 0.292 177.745 177.300 0.255 0.000 1.211 710 P CA -0.378 62.931 63.100 0.349 0.000 0.781 710 P CB 0.260 32.073 31.700 0.188 0.000 0.877 711 I N -1.523 119.172 120.570 0.207 0.000 2.371 711 I HA 0.359 4.529 4.170 0.001 0.000 0.290 711 I C 0.412 176.551 176.117 0.037 0.000 1.028 711 I CA -0.610 60.738 61.300 0.081 0.000 1.345 711 I CB 0.825 38.827 38.000 0.004 0.000 1.407 711 I HN 0.221 nan 8.210 nan 0.000 0.501 712 T N 4.883 119.488 114.554 0.085 0.000 2.909 712 T HA 0.572 4.922 4.350 0.001 0.000 0.289 712 T C -0.469 174.338 174.700 0.178 0.000 1.005 712 T CA -0.758 61.426 62.100 0.140 0.000 1.084 712 T CB 1.959 70.896 68.868 0.115 0.000 0.975 712 T HN 0.708 nan 8.240 nan 0.000 0.509 713 L N 2.733 124.120 121.223 0.274 0.000 2.504 713 L HA 0.609 4.949 4.340 0.001 0.000 0.265 713 L C -0.693 176.330 176.870 0.254 0.000 0.975 713 L CA -0.967 54.047 54.840 0.290 0.000 0.864 713 L CB 1.380 43.694 42.059 0.425 0.000 1.212 713 L HN 0.975 nan 8.230 nan 0.000 0.416 714 R N 3.788 124.421 120.500 0.222 0.000 2.732 714 R HA 0.825 5.166 4.340 0.001 0.000 0.278 714 R C -1.539 174.907 176.300 0.243 0.000 0.976 714 R CA -0.745 55.494 56.100 0.232 0.000 0.963 714 R CB 1.446 31.863 30.300 0.194 0.000 1.150 714 R HN 0.420 nan 8.270 nan 0.000 0.478 715 L N -0.224 121.170 121.223 0.284 0.000 2.341 715 L HA 0.611 4.951 4.340 0.001 0.000 0.278 715 L C -0.862 176.195 176.870 0.312 0.000 1.005 715 L CA -0.988 54.011 54.840 0.265 0.000 0.818 715 L CB 1.745 43.946 42.059 0.237 0.000 1.259 715 L HN 0.729 nan 8.230 nan 0.000 0.418 716 N N 3.338 122.184 118.700 0.243 0.000 2.434 716 N HA 0.517 5.258 4.740 0.001 0.000 0.272 716 N C -1.328 174.258 175.510 0.127 0.000 1.040 716 N CA -0.377 52.725 53.050 0.087 0.000 0.956 716 N CB 0.777 39.334 38.487 0.117 0.000 1.108 716 N HN 0.689 nan 8.380 nan 0.000 0.481 717 F N 0.804 120.700 119.950 -0.090 0.000 2.578 717 F HA 0.744 5.271 4.527 0.001 0.000 0.311 717 F C -0.167 175.595 175.800 -0.064 0.000 1.094 717 F CA -0.684 57.292 58.000 -0.040 0.000 0.923 717 F CB 1.240 40.252 39.000 0.020 0.000 1.230 717 F HN 0.446 nan 8.300 nan 0.000 0.450 718 T N 0.372 114.895 114.554 -0.051 0.000 2.565 718 T HA 0.667 5.017 4.350 0.001 0.000 0.253 718 T C -1.380 173.344 174.700 0.041 0.000 0.868 718 T CA -0.918 61.100 62.100 -0.136 0.000 1.213 718 T CB 1.159 69.950 68.868 -0.128 0.000 1.518 718 T HN 0.773 nan 8.240 nan 0.000 0.474 719 L N 1.471 122.701 121.223 0.011 0.000 2.442 719 L HA 0.644 4.984 4.340 0.001 0.000 0.261 719 L C -0.458 176.423 176.870 0.018 0.000 1.000 719 L CA -0.847 54.016 54.840 0.037 0.000 0.882 719 L CB 1.632 43.716 42.059 0.041 0.000 1.207 719 L HN 0.553 nan 8.230 nan 0.000 0.443 720 V N 3.155 123.080 119.914 0.019 0.000 2.904 720 V HA 0.741 4.861 4.120 0.001 0.000 0.305 720 V C 1.211 177.309 176.094 0.007 0.000 1.067 720 V CA 1.287 63.593 62.300 0.010 0.000 1.044 720 V CB 1.442 33.271 31.823 0.009 0.000 1.050 720 V HN 0.926 nan 8.190 nan 0.000 0.475 721 G N 3.186 111.989 108.800 0.006 0.000 5.426 721 G HA2 -0.359 3.601 3.960 0.001 0.000 0.297 721 G HA3 -0.359 3.601 3.960 0.001 0.000 0.297 721 G C 0.588 175.492 174.900 0.006 0.000 1.422 721 G CA 0.545 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 0.001 0.000 0.285 722 K C -2.473 174.115 176.600 -0.020 0.000 1.196 722 K CA 1.060 57.348 56.287 0.001 0.000 0.838 722 K CB -1.579 30.933 32.500 0.020 0.000 1.262 722 K HN 0.694 nan 8.250 nan 0.000 0.492 723 P HA 0.384 nan 4.420 nan 0.000 0.301 723 P C -0.662 176.564 177.300 -0.124 0.000 1.348 723 P CA -0.333 62.700 63.100 -0.112 0.000 0.826 723 P CB 0.935 32.578 31.700 -0.095 0.000 0.945 724 L N 5.306 126.427 121.223 -0.169 0.000 2.529 724 L HA 0.181 4.522 4.340 0.001 0.000 0.258 724 L C 0.616 177.391 176.870 -0.159 0.000 1.032 724 L CA -0.672 54.091 54.840 -0.128 0.000 0.899 724 L CB 1.413 43.425 42.059 -0.079 0.000 1.174 724 L HN 0.303 nan 8.230 nan 0.000 0.458 725 L N 2.498 123.628 121.223 -0.155 0.000 5.323 725 L HA -0.346 3.995 4.340 0.001 0.000 0.053 725 L C 0.703 177.439 176.870 -0.222 0.000 3.097 725 L CA 2.160 56.915 54.840 -0.141 0.000 1.447 725 L CB -1.038 40.972 42.059 -0.082 0.000 2.992 725 L HN 0.661 nan 8.230 nan 0.000 0.968 726 A N -0.937 121.796 122.820 -0.145 0.000 2.292 726 A HA 0.482 4.802 4.320 0.001 0.000 0.265 726 A C 0.247 177.700 177.584 -0.217 0.000 1.133 726 A CA 0.510 52.482 52.037 -0.109 0.000 0.807 726 A CB -0.262 18.751 19.000 0.022 0.000 1.102 726 A HN 0.535 nan 8.150 nan 0.000 0.502 727 F N -0.573 119.387 119.950 0.017 0.000 2.873 727 F HA 0.229 4.757 4.527 0.000 0.000 0.289 727 F C 1.684 177.496 175.800 0.021 0.000 1.206 727 F CA 0.127 58.138 58.000 0.019 0.000 1.401 727 F CB -0.001 39.013 39.000 0.023 0.000 0.996 727 F HN 0.502 nan 8.300 nan 0.000 0.511 728 R N 0.267 120.834 120.500 0.113 0.000 2.317 728 R HA 0.035 4.375 4.340 0.001 0.000 0.208 728 R C 1.618 177.942 176.300 0.039 0.000 0.914 728 R CA 0.440 56.585 56.100 0.075 0.000 1.060 728 R CB -0.052 30.277 30.300 0.048 0.000 1.015 728 R HN 0.363 nan 8.270 nan 0.000 0.498 729 N N 0.554 119.274 118.700 0.033 0.000 2.482 729 N HA -0.006 4.735 4.740 0.001 0.000 0.179 729 N C 1.301 176.840 175.510 0.048 0.000 1.039 729 N CA 0.194 53.258 53.050 0.025 0.000 0.884 729 N CB 0.127 38.617 38.487 0.005 0.000 1.113 729 N HN 0.043 nan 8.380 nan 0.000 0.440 730 L N -0.482 120.787 121.223 0.076 0.000 4.438 730 L HA -0.370 3.970 4.340 0.001 0.000 0.053 730 L C 0.409 177.318 176.870 0.065 0.000 3.682 730 L CA 2.275 57.178 54.840 0.104 0.000 1.233 730 L CB -1.029 41.099 42.059 0.115 0.000 3.182 730 L HN 0.527 nan 8.230 nan 0.000 0.885 731 R N 1.833 122.369 120.500 0.060 0.000 2.239 731 R HA 0.523 4.864 4.340 0.001 0.000 0.332 731 R C -2.833 173.498 176.300 0.052 0.000 0.988 731 R CA -1.561 54.570 56.100 0.052 0.000 0.859 731 R CB 1.513 31.845 30.300 0.054 0.000 1.148 731 R HN 0.010 nan 8.270 nan 0.000 0.482 732 P HA 0.378 nan 4.420 nan 0.000 0.279 732 P C -0.748 176.598 177.300 0.077 0.000 1.276 732 P CA -0.751 62.385 63.100 0.060 0.000 0.801 732 P CB 1.087 32.815 31.700 0.047 0.000 1.127 733 M N -1.880 117.785 119.600 0.108 0.000 3.419 733 M HA 0.492 4.972 4.480 0.001 0.000 0.287 733 M C -1.822 174.574 176.300 0.160 0.000 1.333 733 M CA -0.885 54.485 55.300 0.118 0.000 0.843 733 M CB 1.005 33.689 32.600 0.141 0.000 1.686 733 M HN -0.072 nan 8.290 nan 0.000 0.491 734 L N 1.043 122.337 121.223 0.118 0.000 2.365 734 L HA 0.942 5.283 4.340 0.001 0.000 0.267 734 L C 0.392 177.308 176.870 0.078 0.000 1.033 734 L CA -0.917 53.998 54.840 0.125 0.000 0.802 734 L CB 1.627 43.688 42.059 0.004 0.000 1.267 734 L HN 0.950 nan 8.230 nan 0.000 0.457 735 A N 0.337 123.175 122.820 0.029 0.000 2.301 735 A HA 0.654 4.974 4.320 0.001 0.000 0.287 735 A C 1.042 178.278 177.584 -0.580 0.000 1.274 735 A CA 0.446 52.310 52.037 -0.288 0.000 0.865 735 A CB 0.123 18.983 19.000 -0.233 0.000 1.324 735 A HN 0.858 nan 8.150 nan 0.000 0.508 736 A N -0.708 121.654 122.820 -0.762 0.000 1.832 736 A HA -0.002 4.319 4.320 0.001 0.000 0.214 736 A C 0.691 178.070 177.584 -0.342 0.000 1.200 736 A CA 1.583 53.287 52.037 -0.554 0.000 0.610 736 A CB -0.755 17.961 19.000 -0.474 0.000 0.842 736 A HN 0.661 nan 8.150 nan 0.000 0.444 737 D N 1.018 121.236 120.400 -0.304 0.000 2.541 737 D HA 0.423 5.063 4.640 0.001 0.000 0.231 737 D C -0.342 175.850 176.300 -0.181 0.000 1.163 737 D CA 0.628 54.501 54.000 -0.213 0.000 1.077 737 D CB -0.065 40.623 40.800 -0.187 0.000 1.110 737 D HN 0.363 nan 8.370 nan 0.000 0.499 738 A N 2.738 125.450 122.820 -0.179 0.000 2.412 738 A HA 0.174 4.494 4.320 0.001 0.000 0.334 738 A C 0.547 178.008 177.584 -0.205 0.000 1.419 738 A CA -0.729 51.219 52.037 -0.148 0.000 0.930 738 A CB 0.483 19.361 19.000 -0.203 0.000 1.149 738 A HN 0.125 nan 8.150 nan 0.000 0.515 739 Q N 2.167 121.858 119.800 -0.183 0.000 2.945 739 Q HA 0.067 4.408 4.340 0.001 0.000 0.323 739 Q C 0.814 176.302 176.000 -0.854 0.000 1.188 739 Q CA -0.026 55.507 55.803 -0.450 0.000 0.929 739 Q CB -0.196 28.297 28.738 -0.408 0.000 1.531 739 Q HN 0.762 nan 8.270 nan 0.000 0.444 740 R N -0.234 119.923 120.500 -0.572 0.000 2.261 740 R HA -0.135 4.205 4.340 0.001 0.000 0.236 740 R C -0.114 175.880 176.300 -0.510 0.000 1.141 740 R CA 0.972 56.696 56.100 -0.626 0.000 1.001 740 R CB 0.052 29.790 30.300 -0.937 0.000 0.866 740 R HN 0.250 nan 8.270 nan 0.000 0.468 741 Y N 0.018 120.093 120.300 -0.376 0.000 2.594 741 Y HA 0.218 4.768 4.550 0.001 0.000 0.342 741 Y C -0.552 175.177 175.900 -0.285 0.000 1.010 741 Y CA -0.934 57.040 58.100 -0.210 0.000 1.270 741 Y CB 0.167 38.546 38.460 -0.136 0.000 1.125 741 Y HN -0.199 nan 8.280 nan 0.000 0.513 742 F N 1.087 121.207 119.950 0.283 0.000 2.444 742 F HA 0.557 5.084 4.527 0.001 0.000 0.342 742 F C 0.285 176.191 175.800 0.177 0.000 1.121 742 F CA -0.975 57.146 58.000 0.201 0.000 0.997 742 F CB 1.818 40.918 39.000 0.167 0.000 1.130 742 F HN 0.121 nan 8.300 nan 0.000 0.454 743 T N 2.521 117.280 114.554 0.342 0.000 2.863 743 T HA 0.827 5.178 4.350 0.001 0.000 0.285 743 T C -0.770 174.063 174.700 0.221 0.000 1.009 743 T CA -0.752 61.498 62.100 0.250 0.000 0.989 743 T CB 1.766 70.751 68.868 0.197 0.000 1.004 743 T HN 0.682 nan 8.240 nan 0.000 0.455 744 A N 2.113 125.064 122.820 0.220 0.000 2.386 744 A HA 0.838 5.158 4.320 0.001 0.000 0.311 744 A C 0.098 177.938 177.584 0.427 0.000 1.068 744 A CA -0.853 51.320 52.037 0.226 0.000 0.743 744 A CB 1.195 20.222 19.000 0.044 0.000 1.258 744 A HN 0.878 nan 8.150 nan 0.000 0.429 745 S N 1.290 117.232 115.700 0.403 0.000 2.608 745 S HA 0.733 5.203 4.470 0.001 0.000 0.291 745 S C -0.544 174.226 174.600 0.282 0.000 1.146 745 S CA -0.633 57.758 58.200 0.318 0.000 1.043 745 S CB 1.245 64.560 63.200 0.191 0.000 1.037 745 S HN 0.935 nan 8.310 nan 0.000 0.520 746 L N 2.679 123.812 121.223 -0.150 0.000 2.345 746 L HA 0.520 4.861 4.340 0.001 0.000 0.274 746 L C -2.762 173.939 176.870 -0.282 0.000 0.999 746 L CA -2.379 52.173 54.840 -0.481 0.000 0.849 746 L CB 2.092 43.401 42.059 -1.250 0.000 1.220 746 L HN 0.528 nan 8.230 nan 0.000 0.422 747 P HA 0.344 nan 4.420 nan 0.000 0.277 747 P C -1.241 175.978 177.300 -0.135 0.000 1.276 747 P CA -0.099 63.019 63.100 0.030 0.000 0.788 747 P CB 0.645 32.386 31.700 0.069 0.000 1.114 748 F N -1.623 118.309 119.950 -0.029 0.000 2.579 748 F HA 0.317 4.844 4.527 0.001 0.000 0.324 748 F C 0.945 176.710 175.800 -0.058 0.000 1.058 748 F CA -0.878 57.113 58.000 -0.015 0.000 0.944 748 F CB 0.964 39.996 39.000 0.053 0.000 1.245 748 F HN 0.236 nan 8.300 nan 0.000 0.477 749 E N 2.390 122.638 120.200 0.080 0.000 1.775 749 E HA 0.058 4.408 4.350 0.001 0.000 0.266 749 E C -0.375 176.129 176.600 -0.160 0.000 1.191 749 E CA -0.531 55.839 56.400 -0.050 0.000 1.048 749 E CB 0.143 29.786 29.700 -0.096 0.000 1.081 749 E HN 0.385 nan 8.360 nan 0.000 0.434 750 K N 3.343 123.674 120.400 -0.114 0.000 2.511 750 K HA -0.062 4.259 4.320 0.001 0.000 0.280 750 K C -0.620 175.859 176.600 -0.201 0.000 1.008 750 K CA 0.016 56.185 56.287 -0.196 0.000 1.050 750 K CB 0.152 32.492 32.500 -0.266 0.000 0.889 750 K HN 0.322 nan 8.250 nan 0.000 0.484 751 N N 3.613 122.161 118.700 -0.254 0.000 2.412 751 N HA -0.041 4.699 4.740 0.001 0.000 0.279 751 N C 0.069 175.555 175.510 -0.040 0.000 1.287 751 N CA 0.016 52.959 53.050 -0.179 0.000 0.948 751 N CB -0.277 38.130 38.487 -0.134 0.000 1.255 751 N HN 0.621 nan 8.380 nan 0.000 0.485 752 c N 0.960 119.558 118.600 -0.004 0.000 2.396 752 c HA 0.696 5.266 4.570 0.001 0.000 0.334 752 c C 0.911 175.055 174.090 0.091 0.000 1.313 752 c CA -0.324 56.052 56.329 0.078 0.000 1.719 752 c CB -1.518 41.065 42.510 0.121 0.000 1.893 752 c HN 0.697 nan 8.230 nan 0.000 0.589 753 G N -0.712 108.113 108.800 0.042 0.000 2.392 753 G HA2 0.426 4.386 3.960 0.001 0.000 0.677 753 G HA3 0.426 4.386 3.960 0.001 0.000 0.677 753 G C 0.373 175.289 174.900 0.027 0.000 1.334 753 G CA -0.367 44.755 45.100 0.037 0.000 0.961 753 G HN 1.149 nan 8.290 nan 0.000 0.616 754 A N -0.301 122.533 122.820 0.024 0.000 2.178 754 A HA 0.380 4.700 4.320 0.001 0.000 0.218 754 A C 1.184 178.783 177.584 0.025 0.000 1.157 754 A CA 2.695 54.744 52.037 0.020 0.000 0.689 754 A CB -0.591 18.420 19.000 0.018 0.000 0.787 754 A HN 1.769 nan 8.150 nan 0.000 0.465 755 D N -5.953 114.475 120.400 0.047 0.000 3.309 755 D HA 0.268 4.908 4.640 0.001 0.000 0.335 755 D C 0.304 176.685 176.300 0.135 0.000 1.393 755 D CA 0.179 54.216 54.000 0.060 0.000 0.963 755 D CB -0.133 40.699 40.800 0.053 0.000 1.431 755 D HN 0.322 nan 8.370 nan 0.000 0.583 756 H N -1.347 117.716 119.070 -0.011 0.000 3.642 756 H HA -0.214 4.343 4.556 0.001 0.000 0.185 756 H C 0.907 176.228 175.328 -0.012 0.000 0.992 756 H CA 1.459 57.501 56.048 -0.010 0.000 1.216 756 H CB -1.091 28.666 29.762 -0.008 0.000 1.055 756 H HN 0.734 nan 8.280 nan 0.000 0.351 757 I N -1.839 118.666 120.570 -0.110 0.000 5.405 757 I HA -0.353 3.817 4.170 0.001 0.000 0.184 757 I C 0.673 176.698 176.117 -0.153 0.000 1.786 757 I CA 1.296 62.512 61.300 -0.140 0.000 1.490 757 I CB -1.906 36.002 38.000 -0.153 0.000 3.212 757 I HN 0.844 nan 8.210 nan 0.000 0.244 758 c N 2.165 120.660 118.600 -0.174 0.000 2.594 758 c HA -0.157 4.414 4.570 0.001 0.000 0.258 758 c C 0.659 174.694 174.090 -0.092 0.000 1.074 758 c CA 0.493 56.775 56.329 -0.077 0.000 2.731 758 c CB -1.585 40.912 42.510 -0.022 0.000 1.633 758 c HN 0.506 nan 8.230 nan 0.000 0.391 759 Q N 1.806 121.534 119.800 -0.120 0.000 2.296 759 Q HA 0.255 4.595 4.340 0.001 0.000 0.257 759 Q C -0.019 175.970 176.000 -0.019 0.000 0.942 759 Q CA 0.060 55.817 55.803 -0.075 0.000 0.939 759 Q CB 1.219 29.898 28.738 -0.099 0.000 1.198 759 Q HN 0.541 nan 8.270 nan 0.000 0.429 760 D N 2.711 123.109 120.400 -0.003 0.000 2.393 760 D HA 0.102 4.742 4.640 0.001 0.000 0.232 760 D C -0.356 175.957 176.300 0.022 0.000 1.192 760 D CA 0.035 54.048 54.000 0.022 0.000 0.882 760 D CB 0.287 41.108 40.800 0.035 0.000 1.038 760 D HN 0.272 nan 8.370 nan 0.000 0.499 761 N N 3.498 122.211 118.700 0.021 0.000 2.573 761 N HA 0.340 5.081 4.740 0.001 0.000 0.262 761 N C -1.602 173.939 175.510 0.051 0.000 1.029 761 N CA -0.402 52.662 53.050 0.023 0.000 0.882 761 N CB 0.555 39.041 38.487 -0.001 0.000 1.204 761 N HN 0.201 nan 8.380 nan 0.000 0.519 762 L N 1.541 122.820 121.223 0.094 0.000 2.431 762 L HA 0.789 5.129 4.340 0.001 0.000 0.266 762 L C 0.685 177.684 176.870 0.215 0.000 0.978 762 L CA -1.136 53.809 54.840 0.175 0.000 0.822 762 L CB 2.253 44.431 42.059 0.199 0.000 1.310 762 L HN 0.462 nan 8.230 nan 0.000 0.409 763 G N 1.820 110.841 108.800 0.369 0.000 2.597 763 G HA2 0.865 4.825 3.960 0.001 0.000 0.317 763 G HA3 0.865 4.825 3.960 0.001 0.000 0.317 763 G C -1.498 173.765 174.900 0.604 0.000 1.230 763 G CA -0.598 44.794 45.100 0.485 0.000 0.996 763 G HN 0.600 nan 8.290 nan 0.000 0.490 764 I N -1.055 119.822 120.570 0.511 0.000 2.842 764 I HA 0.675 4.846 4.170 0.001 0.000 0.297 764 I C -1.343 174.682 176.117 -0.152 0.000 1.380 764 I CA -0.586 60.768 61.300 0.091 0.000 1.018 764 I CB 2.190 40.238 38.000 0.080 0.000 1.311 764 I HN 0.714 nan 8.210 nan 0.000 0.439 765 S N 5.572 120.920 115.700 -0.586 0.000 2.542 765 S HA 0.792 5.263 4.470 0.001 0.000 0.276 765 S C -1.538 172.591 174.600 -0.784 0.000 1.148 765 S CA -0.488 56.984 58.200 -1.214 0.000 0.886 765 S CB 1.241 63.958 63.200 -0.805 0.000 1.109 765 S HN 0.659 nan 8.310 nan 0.000 0.458 766 F N 1.224 120.736 119.950 -0.730 0.000 2.643 766 F HA 0.939 5.466 4.527 0.001 0.000 0.314 766 F C -0.302 175.366 175.800 -0.220 0.000 1.096 766 F CA -0.562 57.228 58.000 -0.350 0.000 0.953 766 F CB 1.130 39.999 39.000 -0.218 0.000 1.345 766 F HN 0.640 nan 8.300 nan 0.000 0.468 767 S N -0.098 115.601 115.700 -0.003 0.000 2.840 767 S HA 0.812 5.282 4.470 0.001 0.000 0.307 767 S C -1.818 172.574 174.600 -0.348 0.000 1.180 767 S CA -0.749 57.392 58.200 -0.099 0.000 0.846 767 S CB 1.786 64.966 63.200 -0.032 0.000 1.233 767 S HN 0.563 nan 8.310 nan 0.000 0.548 768 F N 1.439 121.466 119.950 0.128 0.000 2.552 768 F HA 0.488 5.015 4.527 0.001 0.000 0.369 768 F C -2.719 173.104 175.800 0.038 0.000 1.112 768 F CA -1.952 56.090 58.000 0.071 0.000 1.129 768 F CB 1.296 40.334 39.000 0.064 0.000 1.360 768 F HN 0.276 nan 8.300 nan 0.000 0.473 769 P HA 0.220 nan 4.420 nan 0.000 0.264 769 P C 0.893 178.247 177.300 0.089 0.000 1.236 769 P CA 0.770 63.925 63.100 0.092 0.000 0.811 769 P CB 0.461 32.191 31.700 0.051 0.000 0.840 770 G N 2.682 111.527 108.800 0.075 0.000 2.179 770 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 770 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 770 G C 0.008 174.936 174.900 0.046 0.000 0.977 770 G CA -0.181 44.949 45.100 0.051 0.000 0.641 770 G HN 0.598 nan 8.290 nan 0.000 0.533 771 L N 1.880 123.144 121.223 0.068 0.000 2.638 771 L HA 0.475 4.815 4.340 0.001 0.000 0.273 771 L C 0.841 177.713 176.870 0.003 0.000 1.147 771 L CA 0.230 55.083 54.840 0.022 0.000 0.941 771 L CB -0.019 42.043 42.059 0.005 0.000 1.251 771 L HN 0.350 nan 8.230 nan 0.000 0.479 772 K N 3.267 123.659 120.400 -0.013 0.000 2.414 772 K HA 0.471 4.791 4.320 0.001 0.000 0.251 772 K C 0.572 177.154 176.600 -0.030 0.000 1.037 772 K CA 0.064 56.343 56.287 -0.012 0.000 0.980 772 K CB 0.967 33.465 32.500 -0.003 0.000 1.280 772 K HN 0.629 nan 8.250 nan 0.000 0.451 773 S N 2.519 118.196 115.700 -0.038 0.000 1.630 773 S HA -0.231 4.239 4.470 0.001 0.000 0.242 773 S C 0.073 174.623 174.600 -0.085 0.000 0.845 773 S CA 1.044 59.215 58.200 -0.048 0.000 1.337 773 S CB -1.349 61.835 63.200 -0.028 0.000 1.633 773 S HN 1.479 nan 8.310 nan 0.000 0.521 774 L N 0.694 121.859 121.223 -0.097 0.000 3.521 774 L HA -0.076 4.264 4.340 0.001 0.000 0.653 774 L C -0.500 176.271 176.870 -0.165 0.000 1.077 774 L CA 1.540 56.297 54.840 -0.138 0.000 1.144 774 L CB -1.563 40.384 42.059 -0.186 0.000 1.447 774 L HN 0.914 nan 8.230 nan 0.000 0.811 775 L N 2.305 123.451 121.223 -0.128 0.000 2.334 775 L HA 0.898 5.238 4.340 0.001 0.000 0.272 775 L C 0.102 176.895 176.870 -0.128 0.000 1.020 775 L CA -0.798 53.952 54.840 -0.150 0.000 0.812 775 L CB 1.621 43.653 42.059 -0.045 0.000 1.264 775 L HN 0.055 nan 8.230 nan 0.000 0.439 776 V N 3.527 123.345 119.914 -0.160 0.000 2.370 776 V HA 0.613 4.733 4.120 0.001 0.000 0.257 776 V C 0.976 177.103 176.094 0.054 0.000 1.064 776 V CA 0.908 63.183 62.300 -0.042 0.000 0.975 776 V CB -0.654 31.194 31.823 0.041 0.000 1.067 776 V HN 1.206 nan 8.190 nan 0.000 0.485 777 G N 3.885 112.705 108.800 0.033 0.000 4.220 777 G HA2 -0.113 3.847 3.960 0.001 0.000 0.197 777 G HA3 -0.113 3.847 3.960 0.001 0.000 0.197 777 G C 0.355 175.269 174.900 0.023 0.000 1.518 777 G CA 0.196 45.323 45.100 0.045 0.000 0.955 777 G HN 0.578 nan 8.290 nan 0.000 0.353 778 S N 0.541 116.250 115.700 0.014 0.000 2.686 778 S HA 0.496 4.967 4.470 0.001 0.000 0.270 778 S C 0.424 175.014 174.600 -0.018 0.000 1.194 778 S CA 0.253 58.453 58.200 0.001 0.000 0.990 778 S CB 0.479 63.681 63.200 0.003 0.000 1.029 778 S HN 0.830 nan 8.310 nan 0.000 0.560 779 N N 0.080 118.767 118.700 -0.023 0.000 2.671 779 N HA -0.172 4.568 4.740 0.001 0.000 0.261 779 N C 0.185 175.673 175.510 -0.036 0.000 1.053 779 N CA 0.304 53.332 53.050 -0.037 0.000 0.732 779 N CB -1.194 37.257 38.487 -0.061 0.000 0.887 779 N HN 0.503 nan 8.380 nan 0.000 0.546 780 L N 0.426 121.637 121.223 -0.021 0.000 2.049 780 L HA -0.042 4.299 4.340 0.001 0.000 0.203 780 L C 1.368 178.230 176.870 -0.014 0.000 1.074 780 L CA 1.034 55.867 54.840 -0.012 0.000 0.749 780 L CB 0.052 42.108 42.059 -0.005 0.000 0.907 780 L HN 0.447 nan 8.230 nan 0.000 0.439 781 E N 0.783 120.972 120.200 -0.017 0.000 2.366 781 E HA 0.245 4.595 4.350 0.001 0.000 0.266 781 E C -0.916 175.679 176.600 -0.008 0.000 1.051 781 E CA -0.556 55.836 56.400 -0.014 0.000 0.884 781 E CB 1.364 31.050 29.700 -0.024 0.000 1.006 781 E HN 0.100 nan 8.360 nan 0.000 0.417 782 L N 3.695 124.932 121.223 0.023 0.000 2.345 782 L HA 0.338 4.678 4.340 0.001 0.000 0.274 782 L C -1.483 175.465 176.870 0.131 0.000 0.999 782 L CA -0.738 54.117 54.840 0.025 0.000 0.849 782 L CB 1.083 43.123 42.059 -0.032 0.000 1.220 782 L HN 0.495 nan 8.230 nan 0.000 0.422 783 N N 4.392 123.171 118.700 0.132 0.000 2.411 783 N HA 0.524 5.264 4.740 0.001 0.000 0.259 783 N C -0.416 175.253 175.510 0.265 0.000 1.103 783 N CA -0.081 53.059 53.050 0.151 0.000 0.954 783 N CB 1.594 40.133 38.487 0.086 0.000 1.085 783 N HN 0.634 nan 8.380 nan 0.000 0.485 784 A N 1.903 124.813 122.820 0.149 0.000 2.287 784 A HA 0.294 4.614 4.320 0.001 0.000 0.317 784 A C 0.020 177.505 177.584 -0.164 0.000 1.220 784 A CA -0.750 51.243 52.037 -0.073 0.000 0.835 784 A CB 0.619 19.485 19.000 -0.224 0.000 1.180 784 A HN 0.638 nan 8.150 nan 0.000 0.500 785 E N 2.894 122.982 120.200 -0.187 0.000 2.028 785 E HA 0.384 4.734 4.350 0.001 0.000 0.266 785 E C -1.302 175.156 176.600 -0.237 0.000 0.962 785 E CA -0.259 56.026 56.400 -0.191 0.000 0.784 785 E CB 0.949 30.577 29.700 -0.119 0.000 1.114 785 E HN 0.458 nan 8.360 nan 0.000 0.414 786 V N 6.410 126.088 119.914 -0.392 0.000 2.383 786 V HA 0.367 4.488 4.120 0.001 0.000 0.275 786 V C -0.245 175.559 176.094 -0.482 0.000 1.036 786 V CA -0.406 61.660 62.300 -0.391 0.000 0.889 786 V CB 1.328 32.869 31.823 -0.471 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 0.771 5.251 4.480 0.001 0.000 0.309 787 M C -1.365 174.599 176.300 -0.560 0.000 1.202 787 M CA -0.389 54.637 55.300 -0.458 0.000 0.975 787 M CB 1.951 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 2.600 122.168 119.914 -0.578 0.000 3.147 788 V HA 0.548 4.668 4.120 0.001 0.000 0.299 788 V C -1.911 174.014 176.094 -0.282 0.000 1.302 788 V CA -0.548 61.483 62.300 -0.447 0.000 1.015 788 V CB 2.441 34.185 31.823 -0.131 0.000 1.086 788 V HN 0.949 nan 8.190 nan 0.000 0.437 789 W N 2.465 123.896 121.300 0.218 0.000 2.703 789 W HA 0.567 5.227 4.660 0.001 0.000 0.359 789 W C -0.156 176.461 176.519 0.162 0.000 1.168 789 W CA -0.631 56.829 57.345 0.192 0.000 1.177 789 W CB 1.631 31.127 29.460 0.060 0.000 1.434 789 W HN 0.644 nan 8.180 nan 0.000 0.618 790 N N 0.967 119.764 118.700 0.163 0.000 2.824 790 N HA 0.066 4.807 4.740 0.001 0.000 0.224 790 N C -0.877 174.580 175.510 -0.089 0.000 1.418 790 N CA 0.014 52.966 53.050 -0.164 0.000 0.743 790 N CB -0.050 37.914 38.487 -0.873 0.000 1.395 790 N HN 0.104 nan 8.380 nan 0.000 0.548 791 D N 0.187 120.584 120.400 -0.005 0.000 2.336 791 D HA 0.272 4.913 4.640 0.001 0.000 0.228 791 D C 0.813 177.097 176.300 -0.028 0.000 1.120 791 D CA 0.380 54.364 54.000 -0.026 0.000 0.839 791 D CB 0.438 41.209 40.800 -0.048 0.000 0.932 791 D HN 0.579 nan 8.370 nan 0.000 0.509 792 G N -0.471 108.310 108.800 -0.033 0.000 3.135 792 G HA2 0.316 4.276 3.960 0.001 0.000 0.278 792 G HA3 0.316 4.276 3.960 0.001 0.000 0.278 792 G C -0.604 174.293 174.900 -0.006 0.000 1.302 792 G CA -0.493 44.602 45.100 -0.009 0.000 0.880 792 G HN -0.062 nan 8.290 nan 0.000 0.574 793 E N 0.302 120.523 120.200 0.035 0.000 2.458 793 E HA 0.116 4.466 4.350 0.001 0.000 0.264 793 E C -0.389 176.218 176.600 0.011 0.000 1.097 793 E CA 0.015 56.453 56.400 0.063 0.000 0.973 793 E CB 0.267 30.021 29.700 0.090 0.000 0.963 793 E HN 0.245 nan 8.360 nan 0.000 0.451 794 D N 1.314 121.722 120.400 0.013 0.000 2.450 794 D HA 0.050 4.690 4.640 0.001 0.000 0.247 794 D C -0.587 175.726 176.300 0.021 0.000 1.162 794 D CA 0.286 54.246 54.000 -0.067 0.000 0.879 794 D CB 0.335 41.054 40.800 -0.135 0.000 1.163 794 D HN 0.344 nan 8.370 nan 0.000 0.472 795 S N 2.135 117.829 115.700 -0.010 0.000 2.475 795 S HA 0.294 4.764 4.470 0.001 0.000 0.281 795 S C 0.296 174.949 174.600 0.088 0.000 1.198 795 S CA -0.557 57.715 58.200 0.121 0.000 1.063 795 S CB 0.821 64.121 63.200 0.166 0.000 0.972 795 S HN 0.341 nan 8.310 nan 0.000 0.486 796 Y N 3.351 123.709 120.300 0.096 0.000 2.226 796 Y HA 0.339 4.889 4.550 0.001 0.000 0.281 796 Y C 2.412 178.363 175.900 0.085 0.000 1.107 796 Y CA 1.040 59.194 58.100 0.089 0.000 1.109 796 Y CB -0.666 37.838 38.460 0.073 0.000 1.047 796 Y HN 0.801 nan 8.280 nan 0.000 0.494 797 G N 0.068 109.026 108.800 0.264 0.000 3.530 797 G HA2 0.037 3.997 3.960 0.001 0.000 0.269 797 G HA3 0.037 3.997 3.960 0.001 0.000 0.269 797 G C 0.122 175.090 174.900 0.114 0.000 1.314 797 G CA -0.046 45.149 45.100 0.159 0.000 1.441 797 G HN 0.162 nan 8.290 nan 0.000 0.595 798 T N 1.246 115.870 114.554 0.116 0.000 2.891 798 T HA 0.279 4.629 4.350 0.001 0.000 0.296 798 T C 0.879 175.595 174.700 0.025 0.000 1.025 798 T CA 0.887 63.044 62.100 0.094 0.000 1.149 798 T CB 0.141 69.092 68.868 0.139 0.000 1.007 798 T HN 0.466 nan 8.240 nan 0.000 0.528 799 T N 3.117 117.686 114.554 0.025 0.000 2.912 799 T HA 0.678 5.028 4.350 0.001 0.000 0.288 799 T C -0.732 173.946 174.700 -0.036 0.000 1.030 799 T CA -1.071 61.020 62.100 -0.015 0.000 1.020 799 T CB 1.544 70.417 68.868 0.008 0.000 1.056 799 T HN 0.544 nan 8.240 nan 0.000 0.480 800 I N 2.698 123.218 120.570 -0.083 0.000 2.497 800 I HA 0.512 4.683 4.170 0.001 0.000 0.284 800 I C -0.190 175.782 176.117 -0.242 0.000 1.060 800 I CA -0.205 61.010 61.300 -0.143 0.000 1.071 800 I CB 1.636 39.581 38.000 -0.090 0.000 1.216 800 I HN 1.080 nan 8.210 nan 0.000 0.442 801 T N 3.688 118.086 114.554 -0.260 0.000 2.888 801 T HA 0.752 5.102 4.350 0.001 0.000 0.284 801 T C -0.510 173.989 174.700 -0.334 0.000 1.017 801 T CA -0.385 61.603 62.100 -0.186 0.000 1.022 801 T CB 1.031 69.878 68.868 -0.034 0.000 1.013 801 T HN 0.233 nan 8.240 nan 0.000 0.465 802 F N 1.105 121.127 119.950 0.120 0.000 2.538 802 F HA 0.645 5.172 4.527 0.001 0.000 0.325 802 F C 0.749 176.623 175.800 0.123 0.000 1.066 802 F CA -0.889 57.188 58.000 0.127 0.000 0.946 802 F CB 2.346 41.427 39.000 0.135 0.000 1.199 802 F HN 0.819 nan 8.300 nan 0.000 0.473 803 S N 0.754 116.634 115.700 0.299 0.000 2.473 803 S HA 0.780 5.250 4.470 0.001 0.000 0.307 803 S C -1.283 173.430 174.600 0.187 0.000 1.094 803 S CA -0.508 57.788 58.200 0.161 0.000 1.070 803 S CB 0.826 64.103 63.200 0.127 0.000 1.019 803 S HN 0.821 nan 8.310 nan 0.000 0.480 804 H N -0.053 119.111 119.070 0.158 0.000 3.046 804 H HA 0.744 5.300 4.556 0.001 0.000 0.361 804 H C -3.360 172.154 175.328 0.310 0.000 1.235 804 H CA -2.014 54.114 56.048 0.134 0.000 1.146 804 H CB 0.697 30.454 29.762 -0.009 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 0.642 178.264 177.300 0.537 0.000 1.223 805 P CA 0.203 63.493 63.100 0.317 0.000 0.785 805 P CB 0.857 32.677 31.700 0.201 0.000 0.923 806 A N 2.630 125.610 122.820 0.267 0.000 2.042 806 A HA -0.144 4.177 4.320 0.001 0.000 0.222 806 A C 2.155 180.002 177.584 0.439 0.000 1.167 806 A CA 2.034 54.185 52.037 0.189 0.000 0.649 806 A CB -1.808 17.071 19.000 -0.201 0.000 0.809 806 A HN 0.688 nan 8.150 nan 0.000 0.457 807 G N -1.035 107.959 108.800 0.324 0.000 2.916 807 G HA2 0.349 4.309 3.960 0.001 0.000 0.205 807 G HA3 0.349 4.309 3.960 0.001 0.000 0.205 807 G C 0.168 175.219 174.900 0.251 0.000 1.163 807 G CA 0.905 46.152 45.100 0.245 0.000 0.821 807 G HN 0.974 nan 8.290 nan 0.000 0.515 808 L N -4.511 116.924 121.223 0.354 0.000 2.794 808 L HA 0.840 5.181 4.340 0.001 0.000 0.261 808 L C -0.715 176.243 176.870 0.148 0.000 0.989 808 L CA -1.003 53.966 54.840 0.215 0.000 0.900 808 L CB 1.356 43.483 42.059 0.113 0.000 1.473 808 L HN -0.180 nan 8.230 nan 0.000 0.414 809 S N -0.759 114.991 115.700 0.084 0.000 2.671 809 S HA 0.600 5.071 4.470 0.001 0.000 0.277 809 S C -1.728 172.758 174.600 -0.190 0.000 1.165 809 S CA -0.628 57.539 58.200 -0.054 0.000 0.822 809 S CB 1.432 64.622 63.200 -0.016 0.000 1.150 809 S HN 0.759 nan 8.310 nan 0.000 0.479 810 Y N 2.791 122.773 120.300 -0.530 0.000 2.304 810 Y HA 0.573 5.124 4.550 0.001 0.000 0.328 810 Y C 0.168 175.846 175.900 -0.370 0.000 1.123 810 Y CA -0.462 57.163 58.100 -0.792 0.000 1.218 810 Y CB 0.548 38.533 38.460 -0.792 0.000 1.207 810 Y HN 0.660 nan 8.280 nan 0.000 0.495 811 R N 5.199 125.030 120.500 -1.115 0.000 2.621 811 R HA 0.317 4.657 4.340 0.001 0.000 0.292 811 R C -1.816 173.806 176.300 -1.130 0.000 0.969 811 R CA -0.929 54.664 56.100 -0.844 0.000 0.887 811 R CB 0.966 31.021 30.300 -0.408 0.000 1.180 811 R HN 0.705 nan 8.270 nan 0.000 0.450 812 Y N 2.895 122.732 120.300 -0.772 0.000 2.702 812 Y HA -0.045 4.506 4.550 0.001 0.000 0.336 812 Y C 0.816 176.551 175.900 -0.275 0.000 1.235 812 Y CA 0.418 58.263 58.100 -0.425 0.000 1.492 812 Y CB 0.987 39.345 38.460 -0.170 0.000 1.308 812 Y HN 0.516 nan 8.280 nan 0.000 0.589 813 V N 4.615 124.087 119.914 -0.737 0.000 2.331 813 V HA 0.019 4.139 4.120 0.001 0.000 0.242 813 V C 1.228 177.075 176.094 -0.412 0.000 1.034 813 V CA 1.009 63.028 62.300 -0.468 0.000 1.027 813 V CB -1.321 30.298 31.823 -0.341 0.000 0.667 813 V HN 1.157 nan 8.190 nan 0.000 0.457 814 A N 0.670 123.058 122.820 -0.719 0.000 2.667 814 A HA -0.198 4.122 4.320 0.001 0.000 0.298 814 A C 0.270 177.824 177.584 -0.050 0.000 1.483 814 A CA 0.749 52.717 52.037 -0.115 0.000 0.738 814 A CB -1.679 17.485 19.000 0.273 0.000 1.067 814 A HN 0.541 nan 8.150 nan 0.000 0.451 815 E N -1.499 118.647 120.200 -0.091 0.000 2.232 815 E HA 0.706 5.056 4.350 0.001 0.000 0.264 815 E C 1.078 177.674 176.600 -0.008 0.000 0.973 815 E CA 0.311 56.686 56.400 -0.041 0.000 0.849 815 E CB 1.850 31.517 29.700 -0.055 0.000 1.198 815 E HN 0.959 nan 8.360 nan 0.000 0.407 816 G N 0.041 108.842 108.800 0.002 0.000 4.103 816 G HA2 -0.162 3.798 3.960 0.001 0.000 0.123 816 G HA3 -0.162 3.798 3.960 0.001 0.000 0.123 816 G C 0.669 175.575 174.900 0.011 0.000 1.189 816 G CA 0.076 45.185 45.100 0.014 0.000 1.111 816 G HN 0.465 nan 8.290 nan 0.000 0.399 817 Q N 0.559 120.366 119.800 0.011 0.000 2.305 817 Q HA -0.258 4.083 4.340 0.001 0.000 0.219 817 Q C -0.012 175.994 176.000 0.010 0.000 1.024 817 Q CA 2.090 57.900 55.803 0.011 0.000 0.958 817 Q CB -0.475 28.268 28.738 0.009 0.000 1.005 817 Q HN 0.684 nan 8.270 nan 0.000 0.418 818 K N -1.436 118.969 120.400 0.008 0.000 2.335 818 K HA 0.323 4.643 4.320 0.001 0.000 0.365 818 K C -1.577 175.026 176.600 0.005 0.000 1.490 818 K CA -0.201 56.091 56.287 0.008 0.000 1.129 818 K CB 0.408 32.913 32.500 0.008 0.000 1.406 818 K HN -0.078 nan 8.250 nan 0.000 0.487 819 Q N 1.395 121.197 119.800 0.004 0.000 2.281 819 Q HA 0.657 4.998 4.340 0.001 0.000 0.263 819 Q C -0.545 175.455 176.000 0.001 0.000 0.989 819 Q CA -0.561 55.243 55.803 0.001 0.000 0.852 819 Q CB 2.545 31.282 28.738 -0.002 0.000 1.337 819 Q HN 0.960 nan 8.270 nan 0.000 0.418 820 G N 1.198 109.999 108.800 0.001 0.000 2.278 820 G HA2 -0.058 3.903 3.960 0.001 0.000 0.265 820 G HA3 -0.058 3.903 3.960 0.001 0.000 0.265 820 G C -1.324 173.575 174.900 -0.001 0.000 1.329 820 G CA -0.707 44.392 45.100 -0.002 0.000 1.017 820 G HN 0.416 nan 8.290 nan 0.000 0.472 821 Q N -0.426 119.372 119.800 -0.004 0.000 2.409 821 Q HA 0.503 4.843 4.340 0.001 0.000 0.345 821 Q C -0.541 175.454 176.000 -0.009 0.000 0.847 821 Q CA -0.174 55.626 55.803 -0.005 0.000 1.092 821 Q CB 1.219 29.953 28.738 -0.007 0.000 1.377 821 Q HN 0.534 nan 8.270 nan 0.000 0.399 822 L N -1.272 119.949 121.223 -0.003 0.000 2.441 822 L HA 0.527 4.868 4.340 0.001 0.000 0.240 822 L C -0.811 176.067 176.870 0.014 0.000 1.145 822 L CA -0.839 53.999 54.840 -0.004 0.000 1.025 822 L CB 1.082 43.136 42.059 -0.008 0.000 1.585 822 L HN 0.114 nan 8.230 nan 0.000 0.410 823 R N -0.263 120.253 120.500 0.026 0.000 2.678 823 R HA 0.204 4.545 4.340 0.001 0.000 0.264 823 R C -0.504 175.811 176.300 0.025 0.000 0.995 823 R CA 1.365 57.493 56.100 0.048 0.000 1.098 823 R CB 0.239 30.568 30.300 0.048 0.000 0.949 823 R HN 0.661 nan 8.270 nan 0.000 0.422 824 S N 3.166 118.882 115.700 0.027 0.000 2.927 824 S HA 0.200 4.670 4.470 0.001 0.000 0.246 824 S C -0.974 173.652 174.600 0.043 0.000 0.907 824 S CA -0.544 57.675 58.200 0.031 0.000 1.326 824 S CB 0.469 63.683 63.200 0.023 0.000 1.216 824 S HN 0.435 nan 8.310 nan 0.000 0.652 825 L N 2.725 123.967 121.223 0.032 0.000 2.349 825 L HA 0.487 4.827 4.340 0.001 0.000 0.278 825 L C -0.222 176.682 176.870 0.056 0.000 0.996 825 L CA -0.651 54.186 54.840 -0.005 0.000 0.825 825 L CB 1.096 43.092 42.059 -0.106 0.000 1.243 825 L HN 0.295 nan 8.230 nan 0.000 0.412 826 H N 5.614 124.674 119.070 -0.016 0.000 2.944 826 H HA 0.428 4.984 4.556 0.001 0.000 0.278 826 H C -1.270 174.003 175.328 -0.092 0.000 1.083 826 H CA -0.344 55.731 56.048 0.045 0.000 1.479 826 H CB 0.849 30.712 29.762 0.167 0.000 1.486 826 H HN 0.462 nan 8.280 nan 0.000 0.493 827 L N 2.682 123.747 121.223 -0.263 0.000 2.388 827 L HA 0.508 4.848 4.340 0.001 0.000 0.264 827 L C -0.527 176.207 176.870 -0.226 0.000 0.998 827 L CA -0.879 53.816 54.840 -0.241 0.000 0.817 827 L CB 1.935 43.817 42.059 -0.295 0.000 1.338 827 L HN 0.242 nan 8.230 nan 0.000 0.414 828 T N 1.097 115.562 114.554 -0.147 0.000 2.758 828 T HA 0.598 4.948 4.350 0.001 0.000 0.285 828 T C -0.690 173.976 174.700 -0.057 0.000 0.981 828 T CA -0.184 61.866 62.100 -0.082 0.000 0.965 828 T CB 0.545 69.404 68.868 -0.015 0.000 0.927 828 T HN 0.741 nan 8.240 nan 0.000 0.448 829 c N 3.173 121.758 118.600 -0.024 0.000 2.417 829 c HA 0.691 5.261 4.570 0.001 0.000 0.324 829 c C -0.443 173.672 174.090 0.042 0.000 1.240 829 c CA -1.006 55.307 56.329 -0.027 0.000 1.632 829 c CB 1.012 43.446 42.510 -0.126 0.000 2.241 829 c HN 0.765 nan 8.230 nan 0.000 0.499 830 D N 1.614 122.041 120.400 0.045 0.000 2.542 830 D HA 0.346 4.987 4.640 0.001 0.000 0.252 830 D C -0.141 176.194 176.300 0.058 0.000 1.222 830 D CA 0.110 54.153 54.000 0.071 0.000 0.895 830 D CB 1.763 42.619 40.800 0.094 0.000 1.207 830 D HN 0.680 nan 8.370 nan 0.000 0.558 831 S N 0.853 116.576 115.700 0.038 0.000 2.600 831 S HA 0.820 5.290 4.470 0.001 0.000 0.265 831 S C 0.030 174.641 174.600 0.019 0.000 1.325 831 S CA -0.561 57.613 58.200 -0.042 0.000 1.002 831 S CB 1.600 64.712 63.200 -0.148 0.000 0.921 831 S HN 0.620 nan 8.310 nan 0.000 0.554 832 A N 1.266 124.086 122.820 0.000 0.000 2.580 832 A HA 0.628 4.948 4.320 0.001 0.000 0.301 832 A C -3.317 174.516 177.584 0.415 0.000 1.054 832 A CA -1.296 50.868 52.037 0.212 0.000 0.751 832 A CB 0.711 19.800 19.000 0.149 0.000 1.275 832 A HN 0.642 nan 8.150 nan 0.000 0.403 833 P HA 0.413 nan 4.420 nan 0.000 0.276 833 P C 0.095 177.573 177.300 0.297 0.000 1.235 833 P CA 0.094 63.520 63.100 0.544 0.000 0.772 833 P CB 1.491 33.371 31.700 0.300 0.000 0.871 834 V N 3.213 123.283 119.914 0.261 0.000 3.671 834 V HA 0.277 4.397 4.120 0.001 0.000 0.202 834 V C 1.561 177.711 176.094 0.094 0.000 1.188 834 V CA 1.075 63.466 62.300 0.152 0.000 1.325 834 V CB -0.979 30.928 31.823 0.140 0.000 1.470 834 V HN 0.674 nan 8.190 nan 0.000 0.520 835 G N -0.335 108.517 108.800 0.086 0.000 2.750 835 G HA2 0.136 4.097 3.960 0.001 0.000 0.250 835 G HA3 0.136 4.097 3.960 0.001 0.000 0.250 835 G C 1.281 176.196 174.900 0.025 0.000 1.230 835 G CA 0.716 45.845 45.100 0.049 0.000 0.883 835 G HN 0.322 nan 8.290 nan 0.000 0.573 836 S N -0.973 114.735 115.700 0.014 0.000 2.365 836 S HA -0.155 4.315 4.470 0.001 0.000 0.221 836 S C 1.201 175.797 174.600 -0.006 0.000 1.037 836 S CA 2.068 60.269 58.200 0.003 0.000 1.060 836 S CB -0.240 62.961 63.200 0.001 0.000 0.974 836 S HN 0.614 nan 8.310 nan 0.000 0.427 837 Q N -0.834 118.960 119.800 -0.010 0.000 3.021 837 Q HA 0.468 4.808 4.340 0.001 0.000 0.234 837 Q C -0.166 175.813 176.000 -0.036 0.000 0.930 837 Q CA 0.198 55.985 55.803 -0.027 0.000 0.714 837 Q CB 0.757 29.484 28.738 -0.019 0.000 1.325 837 Q HN 0.634 nan 8.270 nan 0.000 0.473 838 G N 1.095 109.852 108.800 -0.071 0.000 3.826 838 G HA2 -0.207 3.753 3.960 0.001 0.000 0.194 838 G HA3 -0.207 3.753 3.960 0.001 0.000 0.194 838 G C 0.172 174.998 174.900 -0.123 0.000 2.087 838 G CA 0.017 45.060 45.100 -0.095 0.000 1.230 838 G HN 0.600 nan 8.290 nan 0.000 0.393 839 T N -0.243 114.311 114.554 -0.001 0.000 2.766 839 T HA 0.572 4.923 4.350 0.001 0.000 0.295 839 T C -0.049 174.785 174.700 0.224 0.000 1.024 839 T CA 0.871 63.041 62.100 0.116 0.000 1.018 839 T CB 1.395 70.329 68.868 0.109 0.000 1.002 839 T HN 1.889 nan 8.240 nan 0.000 0.532 840 W N -1.222 119.968 121.300 -0.183 0.000 3.173 840 W HA 0.600 5.260 4.660 0.001 0.000 0.313 840 W C -1.601 174.750 176.519 -0.280 0.000 1.228 840 W CA -1.358 55.889 57.345 -0.164 0.000 1.185 840 W CB 0.534 29.945 29.460 -0.080 0.000 1.390 840 W HN 0.834 nan 8.180 nan 0.000 0.568 841 S N 1.093 116.776 115.700 -0.029 0.000 2.451 841 S HA 0.723 5.193 4.470 0.001 0.000 0.301 841 S C -0.365 174.229 174.600 -0.009 0.000 1.116 841 S CA -0.018 58.165 58.200 -0.028 0.000 1.093 841 S CB 0.619 63.854 63.200 0.059 0.000 1.017 841 S HN 0.698 nan 8.310 nan 0.000 0.482 842 T N 2.073 116.722 114.554 0.160 0.000 2.947 842 T HA 0.502 4.853 4.350 0.001 0.000 0.337 842 T C 0.206 175.019 174.700 0.188 0.000 1.139 842 T CA -0.779 61.430 62.100 0.182 0.000 0.992 842 T CB 0.237 69.275 68.868 0.283 0.000 1.043 842 T HN 0.605 nan 8.240 nan 0.000 0.498 843 S N 1.510 117.266 115.700 0.092 0.000 2.592 843 S HA 0.545 5.015 4.470 0.001 0.000 0.271 843 S C -0.052 174.554 174.600 0.010 0.000 1.326 843 S CA -0.805 57.425 58.200 0.049 0.000 1.024 843 S CB 0.512 63.734 63.200 0.038 0.000 0.921 843 S HN 0.846 nan 8.310 nan 0.000 0.527 844 c N 2.853 121.433 118.600 -0.034 0.000 3.171 844 c HA 0.427 4.998 4.570 0.001 0.000 0.336 844 c C 0.100 174.118 174.090 -0.120 0.000 1.035 844 c CA -0.893 55.377 56.329 -0.099 0.000 1.361 844 c CB -0.311 42.108 42.510 -0.151 0.000 1.804 844 c HN 1.044 nan 8.230 nan 0.000 0.535 845 R N 2.184 122.635 120.500 -0.081 0.000 2.267 845 R HA 0.543 4.883 4.340 0.001 0.000 0.319 845 R C -0.417 175.810 176.300 -0.121 0.000 1.067 845 R CA -0.297 55.760 56.100 -0.072 0.000 0.936 845 R CB 0.624 30.921 30.300 -0.006 0.000 1.006 845 R HN 0.689 nan 8.270 nan 0.000 0.452 846 I N 4.464 124.930 120.570 -0.174 0.000 2.849 846 I HA -0.179 3.991 4.170 0.001 0.000 0.288 846 I C 1.259 177.297 176.117 -0.132 0.000 1.156 846 I CA 0.111 61.277 61.300 -0.223 0.000 1.394 846 I CB -0.342 37.493 38.000 -0.274 0.000 1.462 846 I HN 0.789 nan 8.210 nan 0.000 0.587 847 N N 5.204 123.840 118.700 -0.107 0.000 2.002 847 N HA -0.243 4.497 4.740 0.001 0.000 0.199 847 N C 1.038 176.572 175.510 0.040 0.000 1.067 847 N CA 1.952 55.010 53.050 0.014 0.000 0.870 847 N CB -0.086 38.503 38.487 0.170 0.000 1.073 847 N HN 0.721 nan 8.380 nan 0.000 0.432 848 H N -1.026 118.090 119.070 0.077 0.000 2.412 848 H HA 0.585 5.141 4.556 0.001 0.000 0.239 848 H C -0.734 174.616 175.328 0.038 0.000 1.388 848 H CA -0.860 55.219 56.048 0.051 0.000 1.148 848 H CB -0.447 29.329 29.762 0.022 0.000 1.637 848 H HN 0.209 nan 8.280 nan 0.000 0.542 849 L N -2.761 118.481 121.223 0.031 0.000 3.207 849 L HA 0.463 4.804 4.340 0.001 0.000 0.286 849 L C -1.533 175.346 176.870 0.015 0.000 0.968 849 L CA -1.292 53.579 54.840 0.051 0.000 1.023 849 L CB 0.711 42.800 42.059 0.050 0.000 1.564 849 L HN 0.068 nan 8.230 nan 0.000 0.384 850 I N 0.830 121.398 120.570 -0.004 0.000 2.664 850 I HA 0.456 4.627 4.170 0.001 0.000 0.308 850 I C -1.052 175.090 176.117 0.041 0.000 0.984 850 I CA -0.241 61.013 61.300 -0.076 0.000 1.213 850 I CB 1.652 39.505 38.000 -0.243 0.000 1.379 850 I HN 0.615 nan 8.210 nan 0.000 0.501 851 F N 5.023 124.868 119.950 -0.176 0.000 2.434 851 F HA 0.482 5.010 4.527 0.001 0.000 0.367 851 F C -0.008 175.724 175.800 -0.113 0.000 1.093 851 F CA -0.682 57.254 58.000 -0.107 0.000 1.085 851 F CB 0.360 39.321 39.000 -0.065 0.000 1.322 851 F HN 0.429 nan 8.300 nan 0.000 0.452 852 R N 2.964 123.363 120.500 -0.169 0.000 2.782 852 R HA 0.658 4.998 4.340 0.001 0.000 0.258 852 R C 0.583 176.724 176.300 -0.265 0.000 1.055 852 R CA -0.151 55.813 56.100 -0.227 0.000 1.065 852 R CB 1.378 31.599 30.300 -0.130 0.000 1.172 852 R HN 0.823 nan 8.270 nan 0.000 0.510 853 G N 0.257 108.944 108.800 -0.188 0.000 2.586 853 G HA2 -0.338 3.623 3.960 0.001 0.000 0.308 853 G HA3 -0.338 3.623 3.960 0.001 0.000 0.308 853 G C 0.544 175.343 174.900 -0.168 0.000 1.317 853 G CA -0.018 45.000 45.100 -0.136 0.000 0.922 853 G HN 0.785 nan 8.290 nan 0.000 0.551 854 G N 0.017 108.764 108.800 -0.088 0.000 3.374 854 G HA2 0.609 4.569 3.960 0.001 0.000 0.252 854 G HA3 0.609 4.569 3.960 0.001 0.000 0.252 854 G C 0.603 175.497 174.900 -0.010 0.000 1.326 854 G CA 1.312 46.384 45.100 -0.047 0.000 1.133 854 G HN 1.694 nan 8.290 nan 0.000 0.528 855 A N 0.498 123.279 122.820 -0.066 0.000 2.363 855 A HA 0.606 4.927 4.320 0.001 0.000 0.270 855 A C 0.381 178.071 177.584 0.175 0.000 1.121 855 A CA -0.553 51.510 52.037 0.043 0.000 0.800 855 A CB 0.456 19.490 19.000 0.057 0.000 1.052 855 A HN 0.577 nan 8.150 nan 0.000 0.493 856 Q N 1.290 121.220 119.800 0.217 0.000 2.248 856 Q HA 0.808 5.149 4.340 0.001 0.000 0.263 856 Q C -0.719 175.381 176.000 0.168 0.000 1.007 856 Q CA -0.729 55.207 55.803 0.222 0.000 0.877 856 Q CB 1.650 30.418 28.738 0.050 0.000 1.315 856 Q HN 0.849 nan 8.270 nan 0.000 0.454 857 I N -1.912 118.679 120.570 0.035 0.000 2.752 857 I HA 0.620 4.790 4.170 0.001 0.000 0.295 857 I C -1.213 174.847 176.117 -0.094 0.000 1.219 857 I CA -0.823 60.447 61.300 -0.050 0.000 1.030 857 I CB 2.732 40.647 38.000 -0.142 0.000 1.259 857 I HN 0.778 nan 8.210 nan 0.000 0.423 858 T N 2.189 116.710 114.554 -0.055 0.000 2.824 858 T HA 0.796 5.146 4.350 0.001 0.000 0.282 858 T C -0.719 173.992 174.700 0.018 0.000 0.993 858 T CA -0.545 61.497 62.100 -0.096 0.000 0.967 858 T CB 1.435 70.225 68.868 -0.130 0.000 0.960 858 T HN 0.707 nan 8.240 nan 0.000 0.441 859 F N 0.996 120.880 119.950 -0.110 0.000 2.640 859 F HA 0.841 5.368 4.527 0.001 0.000 0.324 859 F C -1.685 174.079 175.800 -0.060 0.000 1.077 859 F CA -1.976 55.973 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 2.226 123.506 121.223 0.095 0.000 2.313 860 L HA 0.877 5.217 4.340 0.001 0.000 0.283 860 L C -1.044 175.909 176.870 0.138 0.000 1.013 860 L CA -0.764 54.076 54.840 -0.001 0.000 0.816 860 L CB 1.414 43.468 42.059 -0.008 0.000 1.236 860 L HN 1.034 nan 8.230 nan 0.000 0.419 861 A N 3.291 126.163 122.820 0.086 0.000 2.335 861 A HA 0.718 5.038 4.320 0.001 0.000 0.304 861 A C -0.613 177.063 177.584 0.153 0.000 1.118 861 A CA -0.398 51.764 52.037 0.209 0.000 0.757 861 A CB 1.470 20.552 19.000 0.137 0.000 1.188 861 A HN 0.603 nan 8.150 nan 0.000 0.460 862 T N 2.245 116.852 114.554 0.087 0.000 2.823 862 T HA 0.624 4.974 4.350 0.001 0.000 0.279 862 T C -1.128 173.471 174.700 -0.168 0.000 0.998 862 T CA 0.149 62.257 62.100 0.015 0.000 0.994 862 T CB 0.246 69.072 68.868 -0.070 0.000 0.960 862 T HN 0.330 nan 8.240 nan 0.000 0.448 863 F N 2.243 122.144 119.950 -0.083 0.000 2.427 863 F HA 0.332 4.860 4.527 0.001 0.000 0.348 863 F C 0.529 176.265 175.800 -0.106 0.000 1.125 863 F CA -1.338 56.590 58.000 -0.120 0.000 0.989 863 F CB 0.992 39.887 39.000 -0.176 0.000 1.165 863 F HN 0.384 nan 8.300 nan 0.000 0.442 864 D N 2.238 122.643 120.400 0.008 0.000 2.424 864 D HA 0.178 4.819 4.640 0.001 0.000 0.244 864 D C -0.494 175.839 176.300 0.056 0.000 1.134 864 D CA 0.388 54.394 54.000 0.010 0.000 0.881 864 D CB 1.867 42.654 40.800 -0.021 0.000 1.191 864 D HN 0.268 nan 8.370 nan 0.000 0.445 865 V N 1.991 121.930 119.914 0.042 0.000 2.540 865 V HA 0.329 4.449 4.120 0.001 0.000 0.302 865 V C -0.082 176.046 176.094 0.056 0.000 1.035 865 V CA -0.627 61.705 62.300 0.054 0.000 0.873 865 V CB 1.892 33.726 31.823 0.019 0.000 0.992 865 V HN 0.685 nan 8.190 nan 0.000 0.428 866 S N 6.510 122.259 115.700 0.082 0.000 2.576 866 S HA 0.396 4.866 4.470 0.001 0.000 0.276 866 S C -1.791 172.857 174.600 0.080 0.000 1.339 866 S CA -0.671 57.578 58.200 0.082 0.000 1.039 866 S CB 1.199 64.460 63.200 0.100 0.000 0.902 866 S HN 0.667 nan 8.310 nan 0.000 0.516 867 P HA 0.018 nan 4.420 nan 0.000 0.220 867 P C 0.303 177.670 177.300 0.113 0.000 1.148 867 P CA 1.089 64.238 63.100 0.082 0.000 0.803 867 P CB 0.084 31.824 31.700 0.066 0.000 0.782 868 K N 0.007 120.472 120.400 0.108 0.000 3.045 868 K HA 0.450 4.771 4.320 0.001 0.000 0.214 868 K C -0.633 176.043 176.600 0.126 0.000 1.213 868 K CA -0.564 55.792 56.287 0.115 0.000 1.111 868 K CB -0.265 32.286 32.500 0.086 0.000 1.454 868 K HN -0.134 nan 8.250 nan 0.000 0.498 869 A N 2.036 124.954 122.820 0.164 0.000 2.437 869 A HA 0.237 4.557 4.320 0.001 0.000 0.303 869 A C -0.111 177.590 177.584 0.195 0.000 1.324 869 A CA -0.504 51.633 52.037 0.166 0.000 0.983 869 A CB 0.251 19.340 19.000 0.150 0.000 1.142 869 A HN 0.284 nan 8.150 nan 0.000 0.541 870 V N 4.701 124.693 119.914 0.130 0.000 2.421 870 V HA 0.349 4.469 4.120 0.001 0.000 0.271 870 V C -0.069 176.095 176.094 0.116 0.000 1.031 870 V CA 0.486 62.846 62.300 0.099 0.000 1.032 870 V CB -0.721 31.133 31.823 0.052 0.000 1.009 870 V HN 0.842 nan 8.190 nan 0.000 0.477 871 L N 3.585 124.896 121.223 0.147 0.000 2.672 871 L HA 0.877 5.217 4.340 0.001 0.000 0.256 871 L C 0.141 177.103 176.870 0.153 0.000 0.946 871 L CA -0.441 54.483 54.840 0.140 0.000 0.889 871 L CB 0.886 43.033 42.059 0.147 0.000 1.441 871 L HN 0.516 nan 8.230 nan 0.000 0.418 872 G N 0.349 109.210 108.800 0.102 0.000 2.794 872 G HA2 0.214 4.174 3.960 0.001 0.000 0.249 872 G HA3 0.214 4.174 3.960 0.001 0.000 0.249 872 G C 0.453 175.424 174.900 0.119 0.000 1.236 872 G CA 0.427 45.578 45.100 0.084 0.000 0.880 872 G HN 1.092 nan 8.290 nan 0.000 0.586 873 D N -1.295 119.157 120.400 0.086 0.000 2.384 873 D HA -0.074 4.566 4.640 0.001 0.000 0.222 873 D C 0.846 177.179 176.300 0.055 0.000 0.976 873 D CA 0.804 54.858 54.000 0.090 0.000 0.915 873 D CB 0.087 40.912 40.800 0.042 0.000 0.896 873 D HN 0.389 nan 8.370 nan 0.000 0.523 874 R N -0.357 120.172 120.500 0.047 0.000 2.698 874 R HA 0.579 4.920 4.340 0.001 0.000 0.275 874 R C -1.176 175.144 176.300 0.033 0.000 1.001 874 R CA -1.102 55.013 56.100 0.025 0.000 0.896 874 R CB 1.997 32.309 30.300 0.021 0.000 1.218 874 R HN 0.059 nan 8.270 nan 0.000 0.462 875 L N 0.772 122.007 121.223 0.019 0.000 2.376 875 L HA 0.598 4.939 4.340 0.001 0.000 0.275 875 L C -0.897 175.999 176.870 0.045 0.000 0.987 875 L CA -0.906 53.954 54.840 0.033 0.000 0.828 875 L CB 1.404 43.472 42.059 0.015 0.000 1.249 875 L HN 0.522 nan 8.230 nan 0.000 0.409 876 L N 2.947 124.210 121.223 0.066 0.000 2.358 876 L HA 1.002 5.343 4.340 0.001 0.000 0.268 876 L C -0.756 176.187 176.870 0.120 0.000 1.032 876 L CA -0.841 54.051 54.840 0.086 0.000 0.805 876 L CB 1.620 43.718 42.059 0.064 0.000 1.253 876 L HN 0.797 nan 8.230 nan 0.000 0.452 877 L N -1.547 119.778 121.223 0.171 0.000 2.556 877 L HA 0.935 5.275 4.340 0.001 0.000 0.257 877 L C -0.253 176.810 176.870 0.323 0.000 0.955 877 L CA -0.149 54.817 54.840 0.210 0.000 0.850 877 L CB 1.429 43.575 42.059 0.145 0.000 1.398 877 L HN 0.997 nan 8.230 nan 0.000 0.412 878 T N -1.006 113.738 114.554 0.316 0.000 2.807 878 T HA 0.983 5.333 4.350 0.001 0.000 0.277 878 T C -0.374 174.583 174.700 0.429 0.000 1.006 878 T CA -0.392 61.919 62.100 0.352 0.000 1.006 878 T CB 1.887 70.870 68.868 0.192 0.000 1.274 878 T HN 1.801 nan 8.240 nan 0.000 0.569 879 A N 1.823 124.850 122.820 0.346 0.000 2.684 879 A HA 0.580 4.900 4.320 0.001 0.000 0.289 879 A C -0.876 176.749 177.584 0.067 0.000 1.139 879 A CA -0.905 51.196 52.037 0.107 0.000 0.793 879 A CB 0.106 19.248 19.000 0.237 0.000 1.334 879 A HN 0.681 nan 8.150 nan 0.000 0.408 880 N N 0.594 119.294 118.700 -0.001 0.000 2.497 880 N HA 0.362 5.103 4.740 0.001 0.000 0.268 880 N C -0.559 174.945 175.510 -0.009 0.000 1.171 880 N CA 0.073 53.136 53.050 0.021 0.000 0.948 880 N CB 1.816 40.316 38.487 0.021 0.000 1.069 880 N HN 0.483 nan 8.380 nan 0.000 0.460 881 V N 1.342 121.281 119.914 0.042 0.000 2.588 881 V HA 0.798 4.919 4.120 0.001 0.000 0.304 881 V C -0.630 175.510 176.094 0.076 0.000 1.042 881 V CA -0.241 62.089 62.300 0.050 0.000 0.877 881 V CB 1.314 33.188 31.823 0.085 0.000 0.996 881 V HN 0.927 nan 8.190 nan 0.000 0.425 882 S N 3.858 119.603 115.700 0.074 0.000 2.643 882 S HA 0.714 5.185 4.470 0.001 0.000 0.270 882 S C -0.372 174.286 174.600 0.097 0.000 1.166 882 S CA -0.091 58.159 58.200 0.084 0.000 0.815 882 S CB 1.591 64.831 63.200 0.066 0.000 1.139 882 S HN 1.629 nan 8.310 nan 0.000 0.472 883 S N -0.219 115.542 115.700 0.102 0.000 2.681 883 S HA 0.406 4.876 4.470 0.001 0.000 0.270 883 S C 0.957 175.625 174.600 0.112 0.000 1.209 883 S CA -0.054 58.219 58.200 0.121 0.000 0.988 883 S CB 0.661 63.936 63.200 0.125 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 4.146 4.350 0.001 0.000 0.195 884 E C 0.315 176.979 176.600 0.107 0.000 0.991 884 E CA 1.079 57.556 56.400 0.129 0.000 0.810 884 E CB -0.306 29.492 29.700 0.163 0.000 0.742 884 E HN 0.606 nan 8.360 nan 0.000 0.466 885 N N 2.031 120.792 118.700 0.103 0.000 2.482 885 N HA -0.005 4.736 4.740 0.001 0.000 0.220 885 N C -0.579 174.966 175.510 0.059 0.000 1.255 885 N CA 0.152 53.246 53.050 0.073 0.000 0.850 885 N CB -0.419 38.108 38.487 0.066 0.000 1.127 885 N HN 0.194 nan 8.380 nan 0.000 0.475 886 N N -0.660 118.079 118.700 0.065 0.000 5.925 886 N HA -0.190 4.551 4.740 0.001 0.000 0.361 886 N C -0.330 175.210 175.510 0.050 0.000 0.922 886 N CA 1.342 54.426 53.050 0.056 0.000 1.177 886 N CB -0.853 37.664 38.487 0.049 0.000 0.806 886 N HN 0.348 nan 8.380 nan 0.000 0.456 887 T N -2.263 112.316 114.554 0.042 0.000 3.149 887 T HA 0.569 4.919 4.350 0.001 0.000 0.373 887 T C -1.899 172.818 174.700 0.027 0.000 1.364 887 T CA -1.301 60.822 62.100 0.037 0.000 1.110 887 T CB 1.303 70.194 68.868 0.038 0.000 1.127 887 T HN 0.209 nan 8.240 nan 0.000 0.576 888 P HA 0.084 nan 4.420 nan 0.000 0.228 888 P C 0.661 177.966 177.300 0.009 0.000 1.151 888 P CA 0.592 63.700 63.100 0.013 0.000 0.770 888 P CB 0.363 32.067 31.700 0.007 0.000 0.786 889 R N -2.770 117.737 120.500 0.012 0.000 3.404 889 R HA 0.415 4.756 4.340 0.001 0.000 0.243 889 R C 0.994 177.301 176.300 0.011 0.000 1.474 889 R CA -0.500 55.605 56.100 0.008 0.000 1.018 889 R CB -0.218 30.084 30.300 0.003 0.000 1.568 889 R HN -0.320 nan 8.270 nan 0.000 0.498 890 T N 0.323 114.883 114.554 0.009 0.000 3.266 890 T HA -0.022 4.328 4.350 0.001 0.000 0.215 890 T C 0.693 175.402 174.700 0.014 0.000 0.957 890 T CA 0.444 62.550 62.100 0.009 0.000 1.730 890 T CB -0.327 68.544 68.868 0.005 0.000 1.427 890 T HN 0.328 nan 8.240 nan 0.000 0.445 891 S N 2.841 118.549 115.700 0.013 0.000 2.430 891 S HA 0.172 4.643 4.470 0.001 0.000 0.282 891 S C -0.058 174.557 174.600 0.026 0.000 1.186 891 S CA -0.693 57.517 58.200 0.017 0.000 1.060 891 S CB -0.224 62.983 63.200 0.013 0.000 0.966 891 S HN 0.111 nan 8.310 nan 0.000 0.501 892 K N 3.028 123.447 120.400 0.032 0.000 2.380 892 K HA 0.050 4.370 4.320 0.001 0.000 0.267 892 K C 0.639 177.272 176.600 0.055 0.000 0.990 892 K CA 0.055 56.368 56.287 0.043 0.000 0.946 892 K CB 0.325 32.852 32.500 0.045 0.000 0.937 892 K HN 0.577 nan 8.250 nan 0.000 0.491 893 T N 1.377 115.973 114.554 0.071 0.000 3.383 893 T HA 0.124 4.474 4.350 0.001 0.000 0.324 893 T C -0.298 174.479 174.700 0.127 0.000 1.822 893 T CA -0.589 61.568 62.100 0.096 0.000 1.424 893 T CB -0.617 68.313 68.868 0.103 0.000 1.093 893 T HN 0.593 nan 8.240 nan 0.000 0.748 894 T N 1.025 115.651 114.554 0.120 0.000 2.922 894 T HA 0.658 5.008 4.350 0.001 0.000 0.285 894 T C -0.621 174.205 174.700 0.209 0.000 1.005 894 T CA -0.812 61.377 62.100 0.147 0.000 1.061 894 T CB 1.114 70.044 68.868 0.102 0.000 1.007 894 T HN 0.371 nan 8.240 nan 0.000 0.502 895 F N 2.968 122.965 119.950 0.079 0.000 2.536 895 F HA 0.490 5.017 4.527 0.001 0.000 0.322 895 F C -0.504 175.322 175.800 0.044 0.000 1.144 895 F CA -0.669 57.343 58.000 0.019 0.000 0.924 895 F CB 1.735 40.711 39.000 -0.040 0.000 1.181 895 F HN 0.943 nan 8.300 nan 0.000 0.438 896 Q N 5.699 125.074 119.800 -0.708 0.000 2.496 896 Q HA 0.855 5.196 4.340 0.001 0.000 0.286 896 Q C -2.046 173.586 176.000 -0.613 0.000 1.103 896 Q CA -1.287 54.279 55.803 -0.394 0.000 0.813 896 Q CB 3.166 31.828 28.738 -0.126 0.000 1.444 896 Q HN 0.800 nan 8.270 nan 0.000 0.443 897 L N -2.896 118.208 121.223 -0.197 0.000 2.612 897 L HA 0.643 4.983 4.340 0.001 0.000 0.256 897 L C -1.410 175.488 176.870 0.047 0.000 0.949 897 L CA -0.732 54.040 54.840 -0.114 0.000 0.867 897 L CB 2.251 44.252 42.059 -0.096 0.000 1.417 897 L HN 0.853 nan 8.230 nan 0.000 0.414 898 E N 1.771 121.987 120.200 0.028 0.000 2.199 898 E HA 0.787 5.138 4.350 0.001 0.000 0.269 898 E C -1.639 174.986 176.600 0.042 0.000 0.899 898 E CA -0.738 55.686 56.400 0.041 0.000 0.772 898 E CB 1.814 31.524 29.700 0.017 0.000 1.155 898 E HN 0.747 nan 8.360 nan 0.000 0.408 899 L N 4.874 126.115 121.223 0.030 0.000 2.354 899 L HA 0.513 4.853 4.340 0.001 0.000 0.269 899 L C -2.331 174.528 176.870 -0.019 0.000 1.005 899 L CA -2.434 52.407 54.840 0.003 0.000 0.819 899 L CB 2.018 44.056 42.059 -0.036 0.000 1.311 899 L HN 0.432 nan 8.230 nan 0.000 0.423 900 P HA 0.089 nan 4.420 nan 0.000 0.271 900 P C -0.867 176.391 177.300 -0.071 0.000 1.226 900 P CA -0.023 63.058 63.100 -0.032 0.000 0.765 900 P CB 1.173 32.860 31.700 -0.023 0.000 0.835 901 V N 4.788 124.651 119.914 -0.085 0.000 2.547 901 V HA 0.415 4.535 4.120 0.001 0.000 0.299 901 V C -0.087 175.869 176.094 -0.229 0.000 1.040 901 V CA -0.408 61.774 62.300 -0.197 0.000 0.913 901 V CB 1.274 32.957 31.823 -0.233 0.000 0.992 901 V HN 0.456 nan 8.190 nan 0.000 0.449 902 K N 4.426 124.613 120.400 -0.354 0.000 2.246 902 K HA 0.668 4.988 4.320 0.001 0.000 0.239 902 K C -1.928 174.333 176.600 -0.564 0.000 1.089 902 K CA -0.757 55.384 56.287 -0.243 0.000 0.892 902 K CB 2.111 34.577 32.500 -0.057 0.000 1.334 902 K HN 0.585 nan 8.250 nan 0.000 0.507 903 Y N -0.586 119.742 120.300 0.047 0.000 2.519 903 Y HA 0.374 4.925 4.550 0.001 0.000 0.336 903 Y C -0.628 175.370 175.900 0.163 0.000 1.089 903 Y CA -1.157 57.006 58.100 0.105 0.000 1.025 903 Y CB 1.999 40.539 38.460 0.133 0.000 1.318 903 Y HN 0.674 nan 8.280 nan 0.000 0.452 904 A N 1.944 124.917 122.820 0.255 0.000 2.425 904 A HA 0.691 5.012 4.320 0.001 0.000 0.249 904 A C -0.801 176.892 177.584 0.181 0.000 1.084 904 A CA -0.163 51.985 52.037 0.185 0.000 0.781 904 A CB 0.217 19.296 19.000 0.132 0.000 1.019 904 A HN 0.523 nan 8.150 nan 0.000 0.490 905 V N 1.634 121.627 119.914 0.132 0.000 2.932 905 V HA 0.278 4.399 4.120 0.001 0.000 0.307 905 V C -1.390 174.762 176.094 0.096 0.000 1.147 905 V CA -0.439 61.891 62.300 0.051 0.000 0.951 905 V CB 1.939 33.680 31.823 -0.136 0.000 1.031 905 V HN 0.843 nan 8.190 nan 0.000 0.426 906 Y N 2.072 122.353 120.300 -0.032 0.000 2.342 906 Y HA 0.653 5.203 4.550 0.000 0.000 0.338 906 Y C 0.090 175.998 175.900 0.013 0.000 0.965 906 Y CA -0.031 58.069 58.100 0.000 0.000 1.159 906 Y CB 1.655 40.126 38.460 0.019 0.000 1.157 906 Y HN 0.685 nan 8.280 nan 0.000 0.486 907 T N 5.808 120.231 114.554 -0.219 0.000 2.906 907 T HA 0.528 4.878 4.350 0.001 0.000 0.302 907 T C -1.105 173.536 174.700 -0.099 0.000 1.002 907 T CA -0.580 61.469 62.100 -0.086 0.000 0.988 907 T CB 0.899 69.702 68.868 -0.108 0.000 0.972 907 T HN 0.326 nan 8.240 nan 0.000 0.447 908 V N 2.936 122.846 119.914 -0.007 0.000 3.001 908 V HA 0.865 4.985 4.120 0.001 0.000 0.314 908 V C -0.738 175.391 176.094 0.059 0.000 1.099 908 V CA -0.832 61.501 62.300 0.055 0.000 0.989 908 V CB 2.388 34.291 31.823 0.134 0.000 1.040 908 V HN 0.649 nan 8.190 nan 0.000 0.434 909 V N 2.068 122.009 119.914 0.044 0.000 2.777 909 V HA 0.772 4.893 4.120 0.001 0.000 0.306 909 V C -0.639 175.478 176.094 0.038 0.000 1.112 909 V CA 0.131 62.447 62.300 0.026 0.000 0.917 909 V CB 2.363 34.179 31.823 -0.012 0.000 1.018 909 V HN 1.002 nan 8.190 nan 0.000 0.426 910 S N 3.643 119.385 115.700 0.070 0.000 2.677 910 S HA 0.673 5.143 4.470 0.001 0.000 0.304 910 S C -0.506 174.198 174.600 0.173 0.000 1.108 910 S CA -0.091 58.151 58.200 0.071 0.000 0.944 910 S CB 2.007 65.215 63.200 0.013 0.000 1.127 910 S HN 1.193 nan 8.310 nan 0.000 0.511 911 S N 1.851 117.607 115.700 0.094 0.000 2.466 911 S HA 0.270 4.740 4.470 0.001 0.000 0.313 911 S C -0.172 174.424 174.600 -0.006 0.000 1.078 911 S CA -0.503 57.674 58.200 -0.039 0.000 1.115 911 S CB -0.631 62.494 63.200 -0.126 0.000 1.006 911 S HN 0.795 nan 8.310 nan 0.000 0.487 912 H N 3.075 122.090 119.070 -0.093 0.000 3.092 912 H HA -0.024 4.532 4.556 0.000 0.000 0.332 912 H C 1.353 176.673 175.328 -0.012 0.000 1.029 912 H CA 0.835 56.858 56.048 -0.042 0.000 1.376 912 H CB 0.709 30.452 29.762 -0.032 0.000 1.329 912 H HN 0.824 nan 8.280 nan 0.000 0.598 913 E N 3.226 123.347 120.200 -0.131 0.000 2.485 913 E HA -0.097 4.253 4.350 0.001 0.000 0.194 913 E C 0.009 176.508 176.600 -0.169 0.000 1.098 913 E CA 0.171 56.522 56.400 -0.082 0.000 0.878 913 E CB 0.076 29.753 29.700 -0.038 0.000 0.939 913 E HN 0.638 nan 8.360 nan 0.000 0.503 914 Q N 1.244 120.830 119.800 -0.357 0.000 3.170 914 Q HA 0.155 4.495 4.340 0.001 0.000 0.346 914 Q C -1.109 174.843 176.000 -0.080 0.000 1.333 914 Q CA -0.318 55.345 55.803 -0.234 0.000 0.958 914 Q CB -0.337 28.236 28.738 -0.275 0.000 1.600 914 Q HN 0.342 nan 8.270 nan 0.000 0.482 915 F N -1.300 118.535 119.950 -0.192 0.000 2.482 915 F HA 0.389 4.916 4.527 0.000 0.000 0.331 915 F C -0.285 175.413 175.800 -0.170 0.000 1.115 915 F CA -0.815 57.057 58.000 -0.213 0.000 0.955 915 F CB 1.519 40.394 39.000 -0.208 0.000 1.136 915 F HN -0.224 nan 8.300 nan 0.000 0.452 916 T N 5.438 119.663 114.554 -0.548 0.000 3.176 916 T HA 0.138 4.488 4.350 0.001 0.000 0.301 916 T C -0.160 174.214 174.700 -0.544 0.000 1.115 916 T CA -0.278 61.552 62.100 -0.449 0.000 1.027 916 T CB -0.496 68.283 68.868 -0.149 0.000 1.063 916 T HN 0.577 nan 8.240 nan 0.000 0.669 917 K N 3.035 122.945 120.400 -0.816 0.000 2.300 917 K HA 0.250 4.570 4.320 0.001 0.000 0.264 917 K C 0.038 176.498 176.600 -0.234 0.000 1.083 917 K CA -0.696 55.293 56.287 -0.496 0.000 0.958 917 K CB 0.236 32.412 32.500 -0.541 0.000 1.318 917 K HN 0.713 nan 8.250 nan 0.000 0.448 918 Y N 3.602 123.780 120.300 -0.203 0.000 2.527 918 Y HA 0.212 4.762 4.550 0.001 0.000 0.247 918 Y C -0.051 175.744 175.900 -0.173 0.000 1.138 918 Y CA -1.132 56.872 58.100 -0.161 0.000 1.228 918 Y CB -0.442 37.954 38.460 -0.106 0.000 1.252 918 Y HN 0.306 nan 8.280 nan 0.000 0.531 919 L N 2.561 123.400 121.223 -0.640 0.000 2.640 919 L HA 0.120 4.460 4.340 0.001 0.000 0.300 919 L C -0.282 176.397 176.870 -0.319 0.000 1.259 919 L CA 0.047 54.567 54.840 -0.534 0.000 0.879 919 L CB -0.055 41.746 42.059 -0.431 0.000 1.125 919 L HN 0.615 nan 8.230 nan 0.000 0.507 920 N N 1.316 119.847 118.700 -0.281 0.000 3.043 920 N HA 0.168 4.908 4.740 0.001 0.000 0.243 920 N C -0.139 175.238 175.510 -0.223 0.000 1.347 920 N CA -0.725 52.136 53.050 -0.315 0.000 0.896 920 N CB 0.030 38.454 38.487 -0.106 0.000 1.501 920 N HN 0.421 nan 8.380 nan 0.000 0.504 921 F N 0.708 120.669 119.950 0.018 0.000 2.451 921 F HA -0.005 4.522 4.527 0.001 0.000 0.299 921 F C 1.707 177.516 175.800 0.016 0.000 1.101 921 F CA 0.834 58.859 58.000 0.042 0.000 1.436 921 F CB -0.208 38.825 39.000 0.054 0.000 1.074 921 F HN 0.543 nan 8.300 nan 0.000 0.553 922 S N 0.700 116.481 115.700 0.135 0.000 3.455 922 S HA 0.152 4.622 4.470 0.001 0.000 0.288 922 S C -0.038 174.542 174.600 -0.033 0.000 1.231 922 S CA -0.428 57.800 58.200 0.046 0.000 1.031 922 S CB -0.093 63.117 63.200 0.016 0.000 1.570 922 S HN 0.328 nan 8.310 nan 0.000 0.519 923 E N 2.389 122.573 120.200 -0.027 0.000 3.037 923 E HA 0.303 4.654 4.350 0.001 0.000 0.220 923 E C 0.757 177.306 176.600 -0.086 0.000 1.142 923 E CA -0.243 56.107 56.400 -0.084 0.000 0.888 923 E CB 0.324 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 1.919 117.560 115.700 -0.097 0.000 2.404 924 S HA 0.154 4.624 4.470 0.001 0.000 0.223 924 S C 0.607 175.159 174.600 -0.079 0.000 1.040 924 S CA 0.135 58.288 58.200 -0.079 0.000 0.957 924 S CB 0.118 63.278 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 0.001 0.000 0.255 925 E C -1.230 175.316 176.600 -0.089 0.000 0.933 925 E CA -0.708 55.646 56.400 -0.078 0.000 0.823 925 E CB 0.885 30.547 29.700 -0.064 0.000 1.352 925 E HN 0.279 nan 8.360 nan 0.000 0.406 926 E N 1.006 121.185 120.200 -0.035 0.000 2.167 926 E HA 0.219 4.569 4.350 0.001 0.000 0.247 926 E C -0.635 175.992 176.600 0.045 0.000 0.961 926 E CA -0.188 56.225 56.400 0.022 0.000 0.797 926 E CB 0.768 30.502 29.700 0.056 0.000 1.182 926 E HN 0.197 nan 8.360 nan 0.000 0.437 927 K N 1.198 121.599 120.400 0.001 0.000 2.842 927 K HA 0.195 4.516 4.320 0.001 0.000 0.310 927 K C 1.112 177.869 176.600 0.262 0.000 0.992 927 K CA -0.264 56.054 56.287 0.052 0.000 1.207 927 K CB 0.571 33.020 32.500 -0.084 0.000 1.478 927 K HN 0.352 nan 8.250 nan 0.000 0.601 928 E N -0.860 119.510 120.200 0.283 0.000 3.441 928 E HA 0.057 4.408 4.350 0.001 0.000 0.195 928 E C 0.049 176.854 176.600 0.342 0.000 1.172 928 E CA -0.334 56.250 56.400 0.307 0.000 1.457 928 E CB 0.436 30.244 29.700 0.180 0.000 1.388 928 E HN 0.156 nan 8.360 nan 0.000 0.551 929 S N 0.553 116.412 115.700 0.265 0.000 2.567 929 S HA 0.163 4.633 4.470 0.001 0.000 0.262 929 S C -0.843 173.878 174.600 0.201 0.000 1.237 929 S CA -0.627 57.688 58.200 0.193 0.000 1.093 929 S CB 0.081 63.345 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 4.758 4.556 0.001 0.000 0.250 930 H C 0.295 175.550 175.328 -0.122 0.000 1.256 930 H CA -0.276 55.739 56.048 -0.054 0.000 1.000 930 H CB 0.386 30.054 29.762 -0.157 0.000 1.801 930 H HN 0.517 nan 8.280 nan 0.000 0.569 931 V N 1.865 121.761 119.914 -0.030 0.000 2.964 931 V HA -0.088 4.033 4.120 0.001 0.000 0.286 931 V C 0.154 176.252 176.094 0.006 0.000 1.363 931 V CA 0.924 63.256 62.300 0.053 0.000 1.411 931 V CB -0.479 31.365 31.823 0.036 0.000 0.835 931 V HN 0.628 nan 8.190 nan 0.000 0.487 932 A N 7.794 130.714 122.820 0.166 0.000 2.264 932 A HA 0.818 5.138 4.320 0.001 0.000 0.304 932 A C -0.105 177.584 177.584 0.176 0.000 1.100 932 A CA -0.673 51.422 52.037 0.097 0.000 0.839 932 A CB 1.017 20.029 19.000 0.021 0.000 1.121 932 A HN 1.085 nan 8.150 nan 0.000 0.496 933 M N 2.005 121.614 119.600 0.015 0.000 2.090 933 M HA 0.258 4.738 4.480 0.001 0.000 0.277 933 M C -1.410 174.858 176.300 -0.053 0.000 0.935 933 M CA -0.082 55.242 55.300 0.040 0.000 0.966 933 M CB 1.110 33.706 32.600 -0.006 0.000 1.635 933 M HN 0.800 nan 8.290 nan 0.000 0.446 934 H N 3.724 122.863 119.070 0.114 0.000 2.724 934 H HA 0.288 4.845 4.556 0.000 0.000 0.278 934 H C -0.570 174.703 175.328 -0.091 0.000 1.159 934 H CA -0.320 55.732 56.048 0.007 0.000 1.254 934 H CB 0.851 30.645 29.762 0.053 0.000 1.412 934 H HN 0.535 nan 8.280 nan 0.000 0.488 935 R N 3.578 124.058 120.500 -0.033 0.000 2.254 935 R HA 0.212 4.552 4.340 0.001 0.000 0.318 935 R C -1.266 174.975 176.300 -0.098 0.000 1.031 935 R CA -0.426 55.687 56.100 0.022 0.000 0.905 935 R CB 0.510 30.882 30.300 0.120 0.000 1.050 935 R HN 0.452 nan 8.270 nan 0.000 0.456 936 Y N 2.586 122.958 120.300 0.119 0.000 2.341 936 Y HA 0.245 4.795 4.550 0.000 0.000 0.338 936 Y C -0.040 175.807 175.900 -0.088 0.000 0.965 936 Y CA -0.627 57.517 58.100 0.074 0.000 1.108 936 Y CB 2.205 40.782 38.460 0.194 0.000 1.180 936 Y HN 0.415 nan 8.280 nan 0.000 0.458 937 Q N 2.503 122.341 119.800 0.064 0.000 2.274 937 Q HA 0.693 5.034 4.340 0.001 0.000 0.260 937 Q C -1.388 174.584 176.000 -0.047 0.000 0.974 937 Q CA -0.971 54.789 55.803 -0.073 0.000 0.876 937 Q CB 3.202 31.862 28.738 -0.130 0.000 1.297 937 Q HN 0.504 nan 8.270 nan 0.000 0.446 938 V N 2.470 122.335 119.914 -0.081 0.000 3.078 938 V HA 0.702 4.822 4.120 0.001 0.000 0.311 938 V C -1.942 174.239 176.094 0.145 0.000 1.138 938 V CA -0.432 61.858 62.300 -0.017 0.000 1.007 938 V CB 2.470 34.206 31.823 -0.145 0.000 1.045 938 V HN 1.072 nan 8.190 nan 0.000 0.432 939 N N 1.942 120.791 118.700 0.248 0.000 2.935 939 N HA 0.374 5.114 4.740 0.001 0.000 0.248 939 N C -2.089 173.617 175.510 0.327 0.000 1.276 939 N CA -0.765 52.497 53.050 0.355 0.000 0.906 939 N CB 1.147 39.725 38.487 0.153 0.000 1.564 939 N HN 0.642 nan 8.380 nan 0.000 0.500 940 N N 0.924 119.753 118.700 0.214 0.000 2.399 940 N HA 0.320 5.061 4.740 0.001 0.000 0.280 940 N C -1.023 174.547 175.510 0.100 0.000 1.008 940 N CA -0.661 52.493 53.050 0.174 0.000 0.894 940 N CB 1.327 39.910 38.487 0.158 0.000 1.273 940 N HN 0.521 nan 8.380 nan 0.000 0.486 941 L N 1.567 122.934 121.223 0.240 0.000 2.688 941 L HA 0.342 4.682 4.340 0.001 0.000 0.234 941 L C 1.634 178.573 176.870 0.116 0.000 1.192 941 L CA -0.118 54.819 54.840 0.162 0.000 0.984 941 L CB -0.449 41.703 42.059 0.155 0.000 1.232 941 L HN 0.785 nan 8.230 nan 0.000 0.465 942 G N -0.384 108.487 108.800 0.118 0.000 2.418 942 G HA2 0.127 4.088 3.960 0.001 0.000 0.276 942 G HA3 0.127 4.088 3.960 0.001 0.000 0.276 942 G C 0.351 175.273 174.900 0.037 0.000 1.442 942 G CA -0.202 44.944 45.100 0.076 0.000 1.066 942 G HN 0.425 nan 8.290 nan 0.000 0.553 943 Q N -0.957 118.862 119.800 0.031 0.000 2.038 943 Q HA 0.268 4.608 4.340 0.001 0.000 0.240 943 Q C -0.226 175.784 176.000 0.016 0.000 0.831 943 Q CA -0.043 55.778 55.803 0.030 0.000 1.068 943 Q CB 1.419 30.187 28.738 0.050 0.000 1.241 943 Q HN 0.352 nan 8.270 nan 0.000 0.435 944 R N 0.523 121.014 120.500 -0.015 0.000 2.604 944 R HA 0.252 4.593 4.340 0.001 0.000 0.270 944 R C -1.661 174.586 176.300 -0.088 0.000 1.052 944 R CA -0.821 55.261 56.100 -0.031 0.000 0.902 944 R CB 1.622 31.926 30.300 0.006 0.000 1.233 944 R HN 0.028 nan 8.270 nan 0.000 0.455 945 D N 3.372 123.729 120.400 -0.072 0.000 2.390 945 D HA 0.310 4.950 4.640 0.001 0.000 0.249 945 D C -0.507 175.729 176.300 -0.107 0.000 1.144 945 D CA 0.190 54.139 54.000 -0.085 0.000 0.880 945 D CB 0.751 41.524 40.800 -0.045 0.000 1.182 945 D HN 0.278 nan 8.370 nan 0.000 0.451 946 L N -0.022 121.110 121.223 -0.152 0.000 2.543 946 L HA 0.584 4.924 4.340 0.001 0.000 0.265 946 L C -3.044 173.769 176.870 -0.095 0.000 0.945 946 L CA -2.093 52.582 54.840 -0.275 0.000 0.869 946 L CB 1.980 43.501 42.059 -0.897 0.000 1.294 946 L HN -0.030 nan 8.230 nan 0.000 0.405 947 P HA 0.335 nan 4.420 nan 0.000 0.267 947 P C -0.637 176.694 177.300 0.051 0.000 1.200 947 P CA -0.160 62.975 63.100 0.059 0.000 0.772 947 P CB 1.055 32.810 31.700 0.091 0.000 0.855 948 V N -1.426 118.514 119.914 0.043 0.000 3.202 948 V HA 0.854 4.974 4.120 0.001 0.000 0.306 948 V C -0.968 175.123 176.094 -0.005 0.000 1.283 948 V CA -0.864 61.456 62.300 0.033 0.000 1.065 948 V CB 2.074 33.854 31.823 -0.072 0.000 1.079 948 V HN 0.446 nan 8.190 nan 0.000 0.448 949 S N 0.649 116.339 115.700 -0.017 0.000 2.750 949 S HA 0.643 5.113 4.470 0.001 0.000 0.276 949 S C -1.022 173.509 174.600 -0.116 0.000 1.165 949 S CA -0.503 57.658 58.200 -0.065 0.000 1.047 949 S CB 0.474 63.645 63.200 -0.047 0.000 1.056 949 S HN 0.751 nan 8.310 nan 0.000 0.481 950 I N 4.935 125.409 120.570 -0.160 0.000 2.301 950 I HA 0.272 4.442 4.170 0.001 0.000 0.292 950 I C 0.354 176.209 176.117 -0.437 0.000 1.046 950 I CA -0.410 60.730 61.300 -0.267 0.000 1.282 950 I CB 0.755 38.664 38.000 -0.153 0.000 1.409 950 I HN 0.586 nan 8.210 nan 0.000 0.484 951 N N 5.121 123.535 118.700 -0.477 0.000 2.493 951 N HA 0.618 5.359 4.740 0.001 0.000 0.275 951 N C -1.053 173.949 175.510 -0.846 0.000 1.186 951 N CA -0.174 52.558 53.050 -0.531 0.000 0.978 951 N CB 1.113 39.382 38.487 -0.363 0.000 1.184 951 N HN 0.257 nan 8.380 nan 0.000 0.487 952 F N -0.432 119.215 119.950 -0.505 0.000 2.675 952 F HA 0.544 5.071 4.527 0.001 0.000 0.324 952 F C -1.260 174.078 175.800 -0.770 0.000 1.106 952 F CA -0.631 57.123 58.000 -0.410 0.000 0.970 952 F CB 1.366 40.276 39.000 -0.150 0.000 1.385 952 F HN 0.418 nan 8.300 nan 0.000 0.489 953 W N 1.289 122.790 121.300 0.334 0.000 2.680 953 W HA 0.639 5.300 4.660 0.001 0.000 0.305 953 W C -1.929 174.705 176.519 0.192 0.000 1.033 953 W CA -0.592 56.878 57.345 0.207 0.000 1.242 953 W CB 1.364 30.889 29.460 0.108 0.000 1.138 953 W HN 0.141 nan 8.180 nan 0.000 0.358 954 V N 4.465 124.603 119.914 0.374 0.000 2.378 954 V HA 0.444 4.564 4.120 0.001 0.000 0.288 954 V C -1.999 174.273 176.094 0.296 0.000 1.016 954 V CA -2.307 60.187 62.300 0.323 0.000 0.840 954 V CB 1.803 33.758 31.823 0.220 0.000 0.994 954 V HN 0.099 nan 8.190 nan 0.000 0.431 955 P HA 0.273 nan 4.420 nan 0.000 0.269 955 P C -0.044 177.391 177.300 0.225 0.000 1.209 955 P CA 0.396 63.601 63.100 0.175 0.000 0.776 955 P CB 1.319 33.046 31.700 0.045 0.000 0.876 956 V N 0.591 120.545 119.914 0.067 0.000 5.619 956 V HA 0.119 4.239 4.120 0.001 0.000 0.099 956 V C 0.097 176.163 176.094 -0.046 0.000 0.898 956 V CA -0.240 62.086 62.300 0.043 0.000 1.288 956 V CB -0.663 31.157 31.823 -0.005 0.000 2.171 956 V HN 0.330 nan 8.190 nan 0.000 0.497 957 E N 2.120 122.295 120.200 -0.041 0.000 2.534 957 E HA 0.167 4.517 4.350 0.001 0.000 0.264 957 E C -0.769 175.767 176.600 -0.107 0.000 0.981 957 E CA 0.446 56.814 56.400 -0.054 0.000 0.948 957 E CB 0.573 30.250 29.700 -0.038 0.000 0.934 957 E HN 0.390 nan 8.360 nan 0.000 0.459 958 L N 4.215 125.372 121.223 -0.111 0.000 2.492 958 L HA 0.216 4.556 4.340 0.001 0.000 0.259 958 L C -0.542 176.252 176.870 -0.127 0.000 1.229 958 L CA -0.152 54.583 54.840 -0.175 0.000 0.903 958 L CB 0.042 41.950 42.059 -0.252 0.000 1.114 958 L HN 0.544 nan 8.230 nan 0.000 0.494 959 N N 3.201 121.838 118.700 -0.104 0.000 2.746 959 N HA -0.264 4.477 4.740 0.001 0.000 0.250 959 N C 0.612 176.123 175.510 0.001 0.000 1.055 959 N CA 1.603 54.628 53.050 -0.042 0.000 0.699 959 N CB -1.044 37.417 38.487 -0.042 0.000 0.919 959 N HN 0.972 nan 8.380 nan 0.000 0.548 960 Q N -2.128 117.672 119.800 -0.001 0.000 2.261 960 Q HA -0.340 4.001 4.340 0.001 0.000 0.155 960 Q C -0.758 175.262 176.000 0.033 0.000 0.598 960 Q CA 2.149 57.963 55.803 0.017 0.000 1.376 960 Q CB -1.015 27.740 28.738 0.029 0.000 1.356 960 Q HN 0.626 nan 8.270 nan 0.000 0.947 961 E N 0.912 121.136 120.200 0.041 0.000 1.996 961 E HA 0.566 4.916 4.350 0.001 0.000 0.280 961 E C -0.589 176.061 176.600 0.082 0.000 1.092 961 E CA 0.681 57.135 56.400 0.089 0.000 0.862 961 E CB 0.744 30.524 29.700 0.134 0.000 1.066 961 E HN 0.422 nan 8.360 nan 0.000 0.396 962 A N 3.692 126.567 122.820 0.092 0.000 2.531 962 A HA 0.078 4.399 4.320 0.001 0.000 0.236 962 A C 0.996 178.646 177.584 0.111 0.000 1.062 962 A CA -0.233 51.851 52.037 0.079 0.000 0.760 962 A CB 0.577 19.634 19.000 0.095 0.000 0.995 962 A HN 0.611 nan 8.150 nan 0.000 0.501 963 V N 1.830 121.733 119.914 -0.017 0.000 2.326 963 V HA 0.101 4.221 4.120 0.001 0.000 0.238 963 V C 0.448 176.709 176.094 0.279 0.000 1.038 963 V CA 1.765 63.925 62.300 -0.233 0.000 1.032 963 V CB -0.339 31.167 31.823 -0.530 0.000 0.675 963 V HN 1.036 nan 8.190 nan 0.000 0.467 964 W N -0.310 120.974 121.300 -0.028 0.000 3.259 964 W HA 0.741 5.402 4.660 0.001 0.000 0.331 964 W C -1.418 175.121 176.519 0.033 0.000 1.144 964 W CA -2.147 55.224 57.345 0.043 0.000 1.227 964 W CB 0.133 29.628 29.460 0.059 0.000 1.371 964 W HN 0.080 nan 8.180 nan 0.000 0.491 965 M N 3.172 122.831 119.600 0.097 0.000 2.513 965 M HA 0.300 4.780 4.480 0.001 0.000 0.291 965 M C 0.203 176.447 176.300 -0.094 0.000 1.190 965 M CA -0.442 54.850 55.300 -0.013 0.000 0.960 965 M CB 0.483 33.111 32.600 0.046 0.000 1.517 965 M HN 0.385 nan 8.290 nan 0.000 0.499 966 D N 0.357 120.709 120.400 -0.080 0.000 2.704 966 D HA -0.107 4.534 4.640 0.001 0.000 0.232 966 D C -1.114 175.099 176.300 -0.145 0.000 1.183 966 D CA 0.418 54.370 54.000 -0.080 0.000 0.647 966 D CB -1.467 39.309 40.800 -0.040 0.000 1.013 966 D HN 0.278 nan 8.370 nan 0.000 0.415 967 V N 0.599 120.377 119.914 -0.226 0.000 2.406 967 V HA 0.283 4.403 4.120 0.001 0.000 0.272 967 V C 0.829 176.819 176.094 -0.173 0.000 1.043 967 V CA 0.027 62.115 62.300 -0.354 0.000 0.915 967 V CB 1.600 33.019 31.823 -0.673 0.000 0.988 967 V HN 0.092 nan 8.190 nan 0.000 0.466 968 E N 2.587 122.660 120.200 -0.213 0.000 2.423 968 E HA 0.685 5.036 4.350 0.001 0.000 0.269 968 E C -1.520 174.905 176.600 -0.293 0.000 0.948 968 E CA -0.876 55.427 56.400 -0.162 0.000 0.802 968 E CB 2.862 32.521 29.700 -0.068 0.000 1.339 968 E HN 0.405 nan 8.360 nan 0.000 0.445 969 V N 1.132 120.887 119.914 -0.264 0.000 2.407 969 V HA 0.374 4.495 4.120 0.001 0.000 0.291 969 V C -0.718 175.303 176.094 -0.121 0.000 1.018 969 V CA -0.236 61.899 62.300 -0.275 0.000 0.842 969 V CB 1.529 33.093 31.823 -0.432 0.000 0.996 969 V HN 0.642 nan 8.190 nan 0.000 0.426 970 S N 4.716 120.392 115.700 -0.040 0.000 2.584 970 S HA 0.414 4.885 4.470 0.001 0.000 0.273 970 S C -0.349 174.342 174.600 0.151 0.000 1.311 970 S CA -0.112 58.111 58.200 0.039 0.000 1.034 970 S CB 0.388 63.614 63.200 0.043 0.000 0.939 970 S HN 1.016 nan 8.310 nan 0.000 0.513 971 H N 3.858 122.947 119.070 0.032 0.000 2.379 971 H HA 0.505 5.062 4.556 0.001 0.000 0.229 971 H C -2.792 172.600 175.328 0.107 0.000 1.423 971 H CA -2.005 54.105 56.048 0.103 0.000 1.375 971 H CB 0.081 29.843 29.762 0.001 0.000 1.592 971 H HN 0.394 nan 8.280 nan 0.000 0.507 972 P HA 0.053 nan 4.420 nan 0.000 0.273 972 P C 0.064 177.276 177.300 -0.146 0.000 1.250 972 P CA 0.036 63.100 63.100 -0.059 0.000 0.793 972 P CB 0.681 32.388 31.700 0.012 0.000 1.011 973 Q N -2.126 117.613 119.800 -0.102 0.000 2.393 973 Q HA -0.201 4.139 4.340 0.001 0.000 0.235 973 Q C -0.586 175.333 176.000 -0.136 0.000 0.823 973 Q CA 1.379 57.130 55.803 -0.087 0.000 1.284 973 Q CB -2.152 26.557 28.738 -0.048 0.000 1.669 973 Q HN 0.622 nan 8.270 nan 0.000 0.597 974 N N -0.460 118.082 118.700 -0.263 0.000 2.598 974 N HA 0.343 5.083 4.740 0.001 0.000 0.263 974 N C -2.713 172.672 175.510 -0.208 0.000 1.254 974 N CA -1.091 51.790 53.050 -0.282 0.000 0.863 974 N CB 1.835 40.015 38.487 -0.512 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 -0.145 177.219 177.300 0.106 0.000 1.216 975 P CA 0.036 63.161 63.100 0.041 0.000 0.788 975 P CB 0.186 31.929 31.700 0.072 0.000 0.883 976 S N 0.879 116.625 115.700 0.077 0.000 2.437 976 S HA 0.247 4.717 4.470 0.001 0.000 0.304 976 S C 0.229 174.882 174.600 0.088 0.000 1.167 976 S CA -0.590 57.662 58.200 0.087 0.000 1.106 976 S CB -0.802 62.423 63.200 0.041 0.000 1.099 976 S HN 0.185 nan 8.310 nan 0.000 0.524 977 L N 3.056 124.349 121.223 0.116 0.000 2.416 977 L HA 0.493 4.834 4.340 0.001 0.000 0.262 977 L C 0.976 177.828 176.870 -0.030 0.000 1.093 977 L CA -0.238 54.616 54.840 0.024 0.000 0.801 977 L CB 0.606 42.629 42.059 -0.060 0.000 1.191 977 L HN 0.619 nan 8.230 nan 0.000 0.459 978 R N 0.302 120.776 120.500 -0.044 0.000 2.265 978 R HA 0.545 4.885 4.340 0.001 0.000 0.319 978 R C -1.254 175.003 176.300 -0.071 0.000 1.006 978 R CA -0.471 55.602 56.100 -0.046 0.000 0.880 978 R CB 0.841 31.122 30.300 -0.032 0.000 1.077 978 R HN 0.476 nan 8.270 nan 0.000 0.454 979 c N 1.153 119.718 118.600 -0.058 0.000 2.634 979 c HA 0.507 5.077 4.570 0.001 0.000 0.313 979 c C 0.477 174.545 174.090 -0.037 0.000 1.198 979 c CA -0.566 55.735 56.329 -0.046 0.000 1.605 979 c CB 2.033 44.532 42.510 -0.019 0.000 2.196 979 c HN 0.824 nan 8.230 nan 0.000 0.486 980 S N 1.169 116.833 115.700 -0.060 0.000 2.690 980 S HA 0.857 5.328 4.470 0.001 0.000 0.291 980 S C -0.389 174.074 174.600 -0.228 0.000 1.138 980 S CA -0.284 57.846 58.200 -0.118 0.000 1.013 980 S CB 0.942 64.070 63.200 -0.121 0.000 1.053 980 S HN 1.074 nan 8.310 nan 0.000 0.539 981 S N 1.688 117.215 115.700 -0.288 0.000 2.575 981 S HA 0.686 5.156 4.470 0.001 0.000 0.278 981 S C -1.546 172.852 174.600 -0.337 0.000 1.139 981 S CA -0.851 57.061 58.200 -0.479 0.000 0.954 981 S CB 1.461 64.385 63.200 -0.461 0.000 1.054 981 S HN 0.728 nan 8.310 nan 0.000 0.483 982 E N 1.246 121.230 120.200 -0.360 0.000 2.321 982 E HA 0.340 4.690 4.350 0.001 0.000 0.281 982 E C -1.366 175.125 176.600 -0.181 0.000 0.910 982 E CA -0.777 55.493 56.400 -0.217 0.000 0.770 982 E CB 2.340 31.943 29.700 -0.160 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 0.652 4.973 4.320 0.001 0.000 0.261 983 K C -0.080 176.504 176.600 -0.026 0.000 0.987 983 K CA -0.465 55.779 56.287 -0.072 0.000 0.916 983 K CB 1.040 33.501 32.500 -0.065 0.000 1.039 983 K HN 0.458 nan 8.250 nan 0.000 0.455 984 I N -2.341 118.233 120.570 0.007 0.000 2.913 984 I HA 0.607 4.777 4.170 0.001 0.000 0.302 984 I C -1.345 174.780 176.117 0.014 0.000 1.246 984 I CA -1.229 60.084 61.300 0.023 0.000 1.010 984 I CB 2.358 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 4.663 127.485 122.820 0.004 0.000 2.271 985 A HA 0.869 5.189 4.320 0.001 0.000 0.317 985 A C -2.333 175.244 177.584 -0.010 0.000 1.245 985 A CA -1.344 50.689 52.037 -0.007 0.000 0.857 985 A CB -0.146 18.850 19.000 -0.007 0.000 1.175 985 A HN 0.680 nan 8.150 nan 0.000 0.512 986 P HA 0.204 nan 4.420 nan 0.000 0.280 986 P C -1.545 175.740 177.300 -0.024 0.000 1.278 986 P CA -0.803 62.276 63.100 -0.035 0.000 0.787 986 P CB 0.004 31.667 31.700 -0.060 0.000 1.163 987 P HA -0.044 nan 4.420 nan 0.000 0.223 987 P C 0.300 177.603 177.300 0.005 0.000 1.151 987 P CA 1.497 64.591 63.100 -0.011 0.000 0.787 987 P CB -0.302 31.390 31.700 -0.013 0.000 0.788 988 A N -1.515 121.312 122.820 0.011 0.000 3.031 988 A HA -0.136 4.185 4.320 0.001 0.000 0.244 988 A C 0.798 178.422 177.584 0.067 0.000 1.341 988 A CA 0.523 52.590 52.037 0.051 0.000 0.943 988 A CB -2.694 16.333 19.000 0.045 0.000 1.122 988 A HN 0.312 nan 8.150 nan 0.000 0.760 989 S N 0.204 115.932 115.700 0.048 0.000 2.598 989 S HA 0.303 4.773 4.470 0.001 0.000 0.256 989 S C 0.371 175.008 174.600 0.062 0.000 1.350 989 S CA 0.331 58.561 58.200 0.050 0.000 0.984 989 S CB 0.255 63.490 63.200 0.059 0.000 0.930 989 S HN 0.655 nan 8.310 nan 0.000 0.577 990 D N 1.114 121.523 120.400 0.015 0.000 2.359 990 D HA 0.014 4.655 4.640 0.001 0.000 0.273 990 D C 0.804 177.083 176.300 -0.036 0.000 1.362 990 D CA -0.291 53.658 54.000 -0.085 0.000 1.010 990 D CB -0.329 40.423 40.800 -0.080 0.000 1.090 990 D HN 0.443 nan 8.370 nan 0.000 0.521 991 F N 3.064 123.040 119.950 0.044 0.000 2.456 991 F HA 0.032 4.559 4.527 0.001 0.000 0.298 991 F C 1.812 177.675 175.800 0.105 0.000 1.104 991 F CA -0.180 57.854 58.000 0.057 0.000 1.435 991 F CB -0.750 38.249 39.000 -0.001 0.000 1.078 991 F HN 0.323 nan 8.300 nan 0.000 0.546 992 L N 1.468 122.463 121.223 -0.380 0.000 1.951 992 L HA -0.253 4.087 4.340 0.001 0.000 0.222 992 L C 2.669 179.562 176.870 0.037 0.000 1.078 992 L CA 2.259 57.018 54.840 -0.136 0.000 0.778 992 L CB -0.865 41.041 42.059 -0.255 0.000 0.893 992 L HN 0.266 nan 8.230 nan 0.000 0.436 993 A N -1.720 121.105 122.820 0.008 0.000 2.014 993 A HA -0.238 4.082 4.320 0.001 0.000 0.218 993 A C 2.196 179.829 177.584 0.081 0.000 1.163 993 A CA 1.270 53.329 52.037 0.036 0.000 0.652 993 A CB -0.995 18.009 19.000 0.008 0.000 0.808 993 A HN 0.777 nan 8.150 nan 0.000 0.449 994 H N 1.097 120.195 119.070 0.046 0.000 2.267 994 H HA -0.166 4.390 4.556 0.001 0.000 0.297 994 H C 1.879 177.250 175.328 0.071 0.000 1.080 994 H CA 2.257 58.343 56.048 0.064 0.000 1.278 994 H CB -0.219 29.602 29.762 0.098 0.000 1.365 994 H HN 0.585 nan 8.280 nan 0.000 0.489 995 I N -0.490 120.258 120.570 0.298 0.000 3.564 995 I HA 0.009 4.179 4.170 0.001 0.000 0.294 995 I C 2.404 178.590 176.117 0.115 0.000 1.289 995 I CA 0.646 62.075 61.300 0.215 0.000 1.325 995 I CB -0.229 37.925 38.000 0.257 0.000 1.039 995 I HN 0.173 nan 8.210 nan 0.000 0.474 996 Q N 1.931 121.786 119.800 0.092 0.000 2.119 996 Q HA -0.175 4.165 4.340 0.001 0.000 0.201 996 Q C 2.023 178.035 176.000 0.020 0.000 0.972 996 Q CA 1.430 57.266 55.803 0.055 0.000 0.847 996 Q CB 0.086 28.851 28.738 0.045 0.000 0.903 996 Q HN 0.558 nan 8.270 nan 0.000 0.433 997 K N 0.205 120.598 120.400 -0.011 0.000 2.000 997 K HA -0.148 4.172 4.320 0.001 0.000 0.218 997 K C 0.619 177.205 176.600 -0.024 0.000 1.053 997 K CA 1.207 57.470 56.287 -0.040 0.000 0.946 997 K CB -0.074 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 -0.893 117.794 118.700 -0.021 0.000 2.461 998 N HA 0.175 4.915 4.740 0.001 0.000 0.284 998 N C -2.505 173.033 175.510 0.046 0.000 1.049 998 N CA -2.066 50.986 53.050 0.003 0.000 0.889 998 N CB 1.855 40.334 38.487 -0.014 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 0.355 177.710 177.300 0.092 0.000 1.142 999 P CA 0.727 63.871 63.100 0.073 0.000 0.778 999 P CB -0.010 31.719 31.700 0.047 0.000 0.764 1000 V N -2.091 117.870 119.914 0.078 0.000 2.928 1000 V HA -0.037 4.083 4.120 0.001 0.000 0.307 1000 V C 0.313 176.468 176.094 0.102 0.000 1.105 1000 V CA 0.018 62.366 62.300 0.080 0.000 1.223 1000 V CB -0.045 31.818 31.823 0.066 0.000 0.930 1000 V HN -0.062 nan 8.190 nan 0.000 0.499 1001 L N 4.193 125.457 121.223 0.069 0.000 2.495 1001 L HA 0.469 4.809 4.340 0.001 0.000 0.248 1001 L C -0.161 176.707 176.870 -0.004 0.000 1.229 1001 L CA -0.539 54.316 54.840 0.025 0.000 0.942 1001 L CB 0.345 42.383 42.059 -0.035 0.000 1.242 1001 L HN 1.060 nan 8.230 nan 0.000 0.484 1002 D N 0.003 120.415 120.400 0.021 0.000 2.393 1002 D HA -0.002 4.639 4.640 0.001 0.000 0.246 1002 D C 1.082 177.364 176.300 -0.030 0.000 1.275 1002 D CA -0.494 53.509 54.000 0.005 0.000 0.979 1002 D CB 0.652 41.462 40.800 0.016 0.000 1.101 1002 D HN 0.270 nan 8.370 nan 0.000 0.505 1003 c N -0.454 118.130 118.600 -0.027 0.000 2.472 1003 c HA -0.034 4.537 4.570 0.001 0.000 0.278 1003 c C 2.515 176.563 174.090 -0.070 0.000 1.447 1003 c CA 0.849 57.163 56.329 -0.025 0.000 1.773 1003 c CB -1.731 40.791 42.510 0.019 0.000 1.793 1003 c HN 0.749 nan 8.230 nan 0.000 0.544 1004 S N 0.358 116.001 115.700 -0.095 0.000 2.481 1004 S HA 0.002 4.473 4.470 0.001 0.000 0.231 1004 S C 1.484 175.982 174.600 -0.170 0.000 0.996 1004 S CA 1.064 59.192 58.200 -0.121 0.000 0.942 1004 S CB -0.301 62.835 63.200 -0.106 0.000 0.768 1004 S HN 0.502 nan 8.310 nan 0.000 0.520 1005 I N 1.322 121.783 120.570 -0.182 0.000 2.899 1005 I HA 0.386 4.557 4.170 0.001 0.000 0.257 1005 I C 1.357 177.365 176.117 -0.181 0.000 1.115 1005 I CA 0.451 61.631 61.300 -0.200 0.000 1.451 1005 I CB -1.246 36.636 38.000 -0.197 0.000 1.251 1005 I HN 0.365 nan 8.210 nan 0.000 0.456 1006 A N 0.697 123.413 122.820 -0.174 0.000 2.305 1006 A HA 0.620 4.940 4.320 0.001 0.000 0.322 1006 A C 0.589 178.111 177.584 -0.103 0.000 1.187 1006 A CA -0.193 51.734 52.037 -0.182 0.000 0.825 1006 A CB 0.360 19.210 19.000 -0.249 0.000 1.164 1006 A HN 0.367 nan 8.150 nan 0.000 0.498 1007 G N 1.081 109.829 108.800 -0.087 0.000 2.151 1007 G HA2 0.233 4.194 3.960 0.001 0.000 0.269 1007 G HA3 0.233 4.194 3.960 0.001 0.000 0.269 1007 G C 0.452 175.348 174.900 -0.008 0.000 1.069 1007 G CA 0.381 45.457 45.100 -0.040 0.000 1.080 1007 G HN 0.907 nan 8.290 nan 0.000 0.405 1008 c N 2.590 121.214 118.600 0.039 0.000 2.694 1008 c HA 0.778 5.349 4.570 0.001 0.000 0.324 1008 c C 0.405 174.552 174.090 0.095 0.000 1.813 1008 c CA -0.689 55.705 56.329 0.109 0.000 2.009 1008 c CB 0.465 43.097 42.510 0.203 0.000 1.939 1008 c HN 0.678 nan 8.230 nan 0.000 0.551 1009 L N 2.383 123.688 121.223 0.136 0.000 2.541 1009 L HA 0.424 4.765 4.340 0.001 0.000 0.266 1009 L C -0.426 176.411 176.870 -0.056 0.000 0.966 1009 L CA -0.284 54.550 54.840 -0.010 0.000 0.871 1009 L CB 0.601 42.638 42.059 -0.037 0.000 1.232 1009 L HN 0.748 nan 8.230 nan 0.000 0.408 1010 R N 3.855 124.209 120.500 -0.243 0.000 2.265 1010 R HA 0.415 4.755 4.340 0.001 0.000 0.314 1010 R C -1.717 174.279 176.300 -0.506 0.000 1.053 1010 R CA -0.216 55.590 56.100 -0.490 0.000 0.931 1010 R CB 0.670 30.587 30.300 -0.640 0.000 1.024 1010 R HN 0.384 nan 8.270 nan 0.000 0.457 1011 F N 3.715 123.475 119.950 -0.316 0.000 2.402 1011 F HA 0.365 4.893 4.527 0.000 0.000 0.355 1011 F C 0.676 176.351 175.800 -0.208 0.000 1.123 1011 F CA -0.689 57.210 58.000 -0.169 0.000 1.021 1011 F CB 1.500 40.493 39.000 -0.013 0.000 1.160 1011 F HN 0.360 nan 8.300 nan 0.000 0.451 1012 R N 3.533 123.985 120.500 -0.080 0.000 2.471 1012 R HA 0.447 4.787 4.340 0.001 0.000 0.292 1012 R C -1.417 174.831 176.300 -0.087 0.000 1.192 1012 R CA -0.249 55.779 56.100 -0.121 0.000 1.257 1012 R CB 0.030 30.246 30.300 -0.139 0.000 1.130 1012 R HN 0.730 nan 8.270 nan 0.000 0.558 1013 c N 4.341 122.882 118.600 -0.098 0.000 2.252 1013 c HA 0.234 4.804 4.570 0.001 0.000 0.342 1013 c C 0.144 174.149 174.090 -0.142 0.000 1.110 1013 c CA -0.967 55.273 56.329 -0.147 0.000 1.581 1013 c CB -0.750 41.600 42.510 -0.267 0.000 2.087 1013 c HN 0.691 nan 8.230 nan 0.000 0.500 1014 D N 1.271 121.609 120.400 -0.103 0.000 2.361 1014 D HA 0.361 5.001 4.640 0.001 0.000 0.239 1014 D C -0.181 176.080 176.300 -0.065 0.000 1.200 1014 D CA 0.311 54.269 54.000 -0.070 0.000 0.915 1014 D CB 1.060 41.834 40.800 -0.044 0.000 1.170 1014 D HN 0.260 nan 8.370 nan 0.000 0.444 1015 V N 2.397 122.295 119.914 -0.027 0.000 2.668 1015 V HA 0.134 4.254 4.120 0.001 0.000 0.304 1015 V C -1.511 174.608 176.094 0.042 0.000 1.071 1015 V CA -1.120 61.184 62.300 0.007 0.000 0.894 1015 V CB 2.261 34.087 31.823 0.004 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 0.472 177.814 177.300 0.070 0.000 1.170 1016 P CA 1.048 64.182 63.100 0.056 0.000 0.893 1016 P CB 0.461 32.195 31.700 0.056 0.000 0.784 1017 S N -1.565 114.190 115.700 0.092 0.000 2.609 1017 S HA 0.324 4.794 4.470 0.001 0.000 0.250 1017 S C -1.200 173.487 174.600 0.145 0.000 1.112 1017 S CA -0.687 57.567 58.200 0.091 0.000 1.102 1017 S CB -0.496 62.735 63.200 0.052 0.000 1.124 1017 S HN -0.065 nan 8.310 nan 0.000 0.460 1018 F N 5.589 125.522 119.950 -0.029 0.000 2.678 1018 F HA 0.384 4.911 4.527 0.000 0.000 0.358 1018 F C 0.905 176.682 175.800 -0.038 0.000 1.256 1018 F CA -0.306 57.678 58.000 -0.027 0.000 1.278 1018 F CB -0.540 38.428 39.000 -0.053 0.000 1.681 1018 F HN 0.570 nan 8.300 nan 0.000 0.661 1019 S N 2.763 118.364 115.700 -0.165 0.000 2.561 1019 S HA 0.086 4.556 4.470 0.001 0.000 0.294 1019 S C 0.342 174.706 174.600 -0.394 0.000 1.294 1019 S CA -0.625 57.450 58.200 -0.209 0.000 1.055 1019 S CB 0.229 63.357 63.200 -0.120 0.000 0.819 1019 S HN 0.298 nan 8.310 nan 0.000 0.503 1020 V N 6.371 126.132 119.914 -0.256 0.000 2.901 1020 V HA 0.049 4.170 4.120 0.001 0.000 0.307 1020 V C 1.246 177.227 176.094 -0.187 0.000 1.084 1020 V CA 0.809 62.969 62.300 -0.233 0.000 1.184 1020 V CB 0.255 32.020 31.823 -0.096 0.000 0.941 1020 V HN 1.148 nan 8.190 nan 0.000 0.493 1021 Q N -0.312 119.389 119.800 -0.166 0.000 2.404 1021 Q HA -0.246 4.094 4.340 0.001 0.000 0.151 1021 Q C 0.616 176.555 176.000 -0.102 0.000 0.589 1021 Q CA 1.759 57.523 55.803 -0.065 0.000 1.298 1021 Q CB -0.990 27.777 28.738 0.049 0.000 1.175 1021 Q HN 0.905 nan 8.270 nan 0.000 1.025 1022 E N 1.877 121.929 120.200 -0.246 0.000 2.406 1022 E HA -0.013 4.337 4.350 0.001 0.000 0.258 1022 E C 0.154 176.702 176.600 -0.087 0.000 1.043 1022 E CA 0.203 56.489 56.400 -0.190 0.000 0.929 1022 E CB 0.437 29.965 29.700 -0.288 0.000 0.969 1022 E HN 0.221 nan 8.360 nan 0.000 0.462 1023 E N 5.495 125.713 120.200 0.029 0.000 2.311 1023 E HA 0.044 4.395 4.350 0.001 0.000 0.198 1023 E C 0.058 176.734 176.600 0.127 0.000 1.115 1023 E CA -0.325 56.122 56.400 0.078 0.000 1.140 1023 E CB 0.042 29.740 29.700 -0.004 0.000 1.204 1023 E HN 0.632 nan 8.360 nan 0.000 0.446 1024 L N 3.036 124.413 121.223 0.257 0.000 2.841 1024 L HA -0.142 4.199 4.340 0.001 0.000 0.282 1024 L C -0.515 176.414 176.870 0.098 0.000 1.130 1024 L CA 0.446 55.458 54.840 0.287 0.000 0.996 1024 L CB 0.040 42.386 42.059 0.478 0.000 1.364 1024 L HN 0.212 nan 8.230 nan 0.000 0.466 1025 D N 4.610 125.039 120.400 0.048 0.000 2.490 1025 D HA 0.698 5.339 4.640 0.001 0.000 0.232 1025 D C -0.722 175.589 176.300 0.018 0.000 1.053 1025 D CA -0.482 53.412 54.000 -0.177 0.000 0.914 1025 D CB 1.685 42.417 40.800 -0.114 0.000 1.431 1025 D HN 0.271 nan 8.370 nan 0.000 0.483 1026 F N -2.428 117.657 119.950 0.226 0.000 2.719 1026 F HA 0.662 5.189 4.527 0.000 0.000 0.309 1026 F C -0.804 175.093 175.800 0.162 0.000 1.138 1026 F CA -1.025 57.110 58.000 0.224 0.000 0.943 1026 F CB 1.516 40.702 39.000 0.310 0.000 1.304 1026 F HN 0.430 nan 8.300 nan 0.000 0.445 1027 T N 1.352 116.123 114.554 0.362 0.000 2.916 1027 T HA 0.865 5.215 4.350 0.001 0.000 0.292 1027 T C -1.725 173.017 174.700 0.070 0.000 1.064 1027 T CA -0.684 61.534 62.100 0.197 0.000 1.011 1027 T CB 1.496 70.442 68.868 0.130 0.000 1.152 1027 T HN 1.112 nan 8.240 nan 0.000 0.510 1028 L N 1.254 122.473 121.223 -0.005 0.000 2.408 1028 L HA 0.907 5.247 4.340 0.001 0.000 0.268 1028 L C -0.829 176.032 176.870 -0.015 0.000 0.986 1028 L CA -0.912 53.846 54.840 -0.136 0.000 0.820 1028 L CB 1.696 43.519 42.059 -0.394 0.000 1.303 1028 L HN 0.807 nan 8.230 nan 0.000 0.411 1029 K N 0.807 121.165 120.400 -0.069 0.000 2.482 1029 K HA 1.021 5.341 4.320 0.001 0.000 0.257 1029 K C -0.784 175.749 176.600 -0.112 0.000 0.969 1029 K CA -0.818 55.484 56.287 0.024 0.000 0.842 1029 K CB 2.456 34.978 32.500 0.037 0.000 1.359 1029 K HN 1.042 nan 8.250 nan 0.000 0.441 1030 G N 1.012 109.812 108.800 0.001 0.000 2.716 1030 G HA2 0.192 4.152 3.960 0.001 0.000 0.299 1030 G HA3 0.192 4.152 3.960 0.001 0.000 0.299 1030 G C -1.694 173.331 174.900 0.210 0.000 1.450 1030 G CA -1.033 44.018 45.100 -0.081 0.000 0.968 1030 G HN 0.489 nan 8.290 nan 0.000 0.566 1031 N N 0.297 119.078 118.700 0.135 0.000 2.365 1031 N HA 0.039 4.779 4.740 0.001 0.000 0.265 1031 N C -0.109 175.586 175.510 0.310 0.000 1.288 1031 N CA 0.129 53.290 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 1.792 123.195 121.223 0.300 0.000 2.255 1032 L HA 0.240 4.581 4.340 0.001 0.000 0.289 1032 L C 0.422 177.338 176.870 0.077 0.000 1.046 1032 L CA -0.348 54.661 54.840 0.282 0.000 0.816 1032 L CB 0.727 42.843 42.059 0.095 0.000 1.197 1032 L HN 0.410 nan 8.230 nan 0.000 0.427 1033 S N 3.251 119.086 115.700 0.224 0.000 2.576 1033 S HA 0.222 4.692 4.470 0.001 0.000 0.276 1033 S C 0.649 175.292 174.600 0.071 0.000 1.339 1033 S CA -0.085 58.254 58.200 0.232 0.000 1.039 1033 S CB 0.432 63.825 63.200 0.322 0.000 0.902 1033 S HN 0.563 nan 8.310 nan 0.000 0.516 1034 F N 2.421 122.435 119.950 0.106 0.000 2.749 1034 F HA 0.281 4.809 4.527 0.000 0.000 0.300 1034 F C 2.240 177.947 175.800 -0.156 0.000 1.103 1034 F CA 0.100 58.060 58.000 -0.067 0.000 1.342 1034 F CB -0.306 38.674 39.000 -0.033 0.000 1.098 1034 F HN 0.760 nan 8.300 nan 0.000 0.586 1035 G N 1.451 110.339 108.800 0.147 0.000 2.433 1035 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 1035 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 1035 G C 1.497 176.431 174.900 0.056 0.000 1.186 1035 G CA 0.791 45.959 45.100 0.112 0.000 0.779 1035 G HN 0.613 nan 8.290 nan 0.000 0.543 1036 W N 1.245 122.588 121.300 0.073 0.000 2.538 1036 W HA 0.017 4.678 4.660 0.000 0.000 0.254 1036 W C 1.339 177.884 176.519 0.043 0.000 1.249 1036 W CA 0.768 58.139 57.345 0.043 0.000 1.253 1036 W CB -0.993 28.480 29.460 0.022 0.000 1.130 1036 W HN 0.098 nan 8.180 nan 0.000 0.618 1037 V N 1.989 121.400 119.914 -0.839 0.000 2.469 1037 V HA -0.291 3.829 4.120 0.001 0.000 0.251 1037 V C 2.867 178.786 176.094 -0.293 0.000 1.064 1037 V CA 2.482 64.249 62.300 -0.889 0.000 1.066 1037 V CB -1.058 30.360 31.823 -0.675 0.000 0.667 1037 V HN 0.245 nan 8.190 nan 0.000 0.461 1038 R N -0.026 120.400 120.500 -0.124 0.000 2.161 1038 R HA -0.132 4.208 4.340 0.001 0.000 0.213 1038 R C 2.310 178.644 176.300 0.057 0.000 1.055 1038 R CA 0.968 57.056 56.100 -0.019 0.000 0.996 1038 R CB -0.113 30.187 30.300 -0.000 0.000 0.901 1038 R HN 0.488 nan 8.270 nan 0.000 0.456 1039 Q N 1.275 121.138 119.800 0.105 0.000 2.268 1039 Q HA -0.169 4.172 4.340 0.001 0.000 0.210 1039 Q C 1.544 177.673 176.000 0.215 0.000 0.988 1039 Q CA 2.041 57.945 55.803 0.168 0.000 0.883 1039 Q CB -0.124 28.738 28.738 0.206 0.000 0.911 1039 Q HN 0.622 nan 8.270 nan 0.000 0.430 1040 I N -4.810 115.884 120.570 0.208 0.000 4.070 1040 I HA 0.264 4.434 4.170 0.001 0.000 0.328 1040 I C 0.163 176.381 176.117 0.168 0.000 1.298 1040 I CA -0.307 61.144 61.300 0.251 0.000 1.173 1040 I CB 0.603 38.779 38.000 0.292 0.000 1.051 1040 I HN 0.039 nan 8.210 nan 0.000 0.409 1041 L N 0.965 122.255 121.223 0.111 0.000 3.512 1041 L HA -0.214 4.127 4.340 0.001 0.000 0.446 1041 L C -0.434 176.483 176.870 0.078 0.000 1.290 1041 L CA 1.123 56.013 54.840 0.082 0.000 0.871 1041 L CB -1.614 40.495 42.059 0.083 0.000 1.767 1041 L HN 0.735 nan 8.230 nan 0.000 0.855 1042 Q N -0.381 119.461 119.800 0.070 0.000 2.831 1042 Q HA 0.682 5.022 4.340 0.001 0.000 0.322 1042 Q C -0.904 175.126 176.000 0.050 0.000 0.923 1042 Q CA -1.192 54.650 55.803 0.066 0.000 0.767 1042 Q CB 2.018 30.798 28.738 0.071 0.000 1.469 1042 Q HN 0.067 nan 8.270 nan 0.000 0.496 1043 K N 0.705 121.134 120.400 0.048 0.000 2.444 1043 K HA 0.356 4.677 4.320 0.001 0.000 0.252 1043 K C -0.828 175.767 176.600 -0.008 0.000 0.993 1043 K CA -0.781 55.525 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 0.139 120.513 120.400 -0.044 0.000 3.230 1044 K HA -0.156 4.164 4.320 0.001 0.000 0.285 1044 K C -0.262 176.317 176.600 -0.036 0.000 1.196 1044 K CA 0.228 56.474 56.287 -0.067 0.000 0.838 1044 K CB -0.875 31.587 32.500 -0.063 0.000 1.262 1044 K HN 0.409 nan 8.250 nan 0.000 0.492 1045 V N 1.411 121.314 119.914 -0.019 0.000 3.237 1045 V HA 0.380 4.500 4.120 0.001 0.000 0.305 1045 V C 0.060 176.180 176.094 0.044 0.000 1.096 1045 V CA 0.848 63.177 62.300 0.048 0.000 1.130 1045 V CB 1.514 33.406 31.823 0.114 0.000 1.048 1045 V HN 0.475 nan 8.190 nan 0.000 0.484 1046 S N 4.360 120.114 115.700 0.090 0.000 2.619 1046 S HA 0.557 5.027 4.470 0.001 0.000 0.280 1046 S C -0.953 173.701 174.600 0.090 0.000 1.150 1046 S CA -0.635 57.606 58.200 0.069 0.000 0.978 1046 S CB 1.249 64.475 63.200 0.044 0.000 1.041 1046 S HN 1.012 nan 8.310 nan 0.000 0.485 1047 V N 3.661 123.617 119.914 0.070 0.000 2.481 1047 V HA 0.720 4.840 4.120 0.001 0.000 0.286 1047 V C -0.661 175.442 176.094 0.014 0.000 1.042 1047 V CA -0.299 62.002 62.300 0.002 0.000 0.928 1047 V CB 1.415 33.172 31.823 -0.111 0.000 0.986 1047 V HN 0.896 nan 8.190 nan 0.000 0.462 1048 V N 6.070 125.990 119.914 0.010 0.000 2.628 1048 V HA 0.656 4.777 4.120 0.001 0.000 0.306 1048 V C -0.021 176.091 176.094 0.029 0.000 1.045 1048 V CA -0.239 62.081 62.300 0.034 0.000 0.905 1048 V CB 2.353 34.203 31.823 0.045 0.000 0.997 1048 V HN 1.040 nan 8.190 nan 0.000 0.436 1049 S N 3.460 119.170 115.700 0.018 0.000 2.473 1049 S HA 0.795 5.265 4.470 0.001 0.000 0.307 1049 S C -0.953 173.786 174.600 0.232 0.000 1.094 1049 S CA -0.642 57.617 58.200 0.099 0.000 1.070 1049 S CB 1.691 64.854 63.200 -0.061 0.000 1.019 1049 S HN 0.418 nan 8.310 nan 0.000 0.480 1050 V N 2.198 122.289 119.914 0.296 0.000 2.483 1050 V HA 0.836 4.956 4.120 0.001 0.000 0.295 1050 V C 0.242 176.551 176.094 0.358 0.000 1.035 1050 V CA -0.529 61.944 62.300 0.289 0.000 0.896 1050 V CB 1.292 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 3.866 126.729 122.820 0.070 0.000 2.332 1051 A HA 0.746 5.067 4.320 0.001 0.000 0.300 1051 A C -0.572 176.886 177.584 -0.208 0.000 1.153 1051 A CA -0.517 51.391 52.037 -0.215 0.000 0.764 1051 A CB 1.025 19.515 19.000 -0.851 0.000 1.174 1051 A HN 0.827 nan 8.150 nan 0.000 0.467 1052 E N 3.100 123.201 120.200 -0.165 0.000 2.224 1052 E HA 0.504 4.854 4.350 0.001 0.000 0.265 1052 E C -1.385 175.107 176.600 -0.181 0.000 0.878 1052 E CA -0.525 55.821 56.400 -0.090 0.000 0.759 1052 E CB 1.504 31.247 29.700 0.072 0.000 1.164 1052 E HN 0.738 nan 8.360 nan 0.000 0.414 1053 I N 3.784 124.270 120.570 -0.140 0.000 2.472 1053 I HA 0.325 4.495 4.170 0.001 0.000 0.290 1053 I C -0.299 175.790 176.117 -0.048 0.000 1.016 1053 I CA 0.118 61.352 61.300 -0.110 0.000 1.348 1053 I CB 1.083 39.042 38.000 -0.068 0.000 1.417 1053 I HN 0.665 nan 8.210 nan 0.000 0.521 1054 T N 3.489 118.020 114.554 -0.038 0.000 2.887 1054 T HA 0.780 5.130 4.350 0.001 0.000 0.292 1054 T C -0.767 173.963 174.700 0.051 0.000 1.087 1054 T CA -0.661 61.340 62.100 -0.165 0.000 1.009 1054 T CB 1.852 70.624 68.868 -0.159 0.000 1.203 1054 T HN 0.576 nan 8.240 nan 0.000 0.518 1055 F N -1.720 118.226 119.950 -0.007 0.000 2.770 1055 F HA 0.581 5.108 4.527 0.001 0.000 0.313 1055 F C -1.037 174.808 175.800 0.075 0.000 1.154 1055 F CA -1.447 56.570 58.000 0.028 0.000 0.923 1055 F CB 0.252 39.266 39.000 0.024 0.000 1.301 1055 F HN 0.575 nan 8.300 nan 0.000 0.449 1056 D N 1.629 122.215 120.400 0.310 0.000 2.402 1056 D HA 0.042 4.682 4.640 0.001 0.000 0.268 1056 D C 1.453 177.880 176.300 0.211 0.000 1.294 1056 D CA 1.106 55.229 54.000 0.206 0.000 0.945 1056 D CB 1.119 42.049 40.800 0.217 0.000 1.112 1056 D HN 0.794 nan 8.370 nan 0.000 0.517 1057 T N 1.926 116.520 114.554 0.066 0.000 2.760 1057 T HA -0.200 4.150 4.350 0.001 0.000 0.269 1057 T C 0.943 175.702 174.700 0.099 0.000 1.047 1057 T CA 1.563 63.693 62.100 0.050 0.000 1.139 1057 T CB -0.064 68.797 68.868 -0.011 0.000 0.855 1057 T HN 0.311 nan 8.240 nan 0.000 0.471 1058 S N -1.184 114.565 115.700 0.081 0.000 2.586 1058 S HA 0.477 4.947 4.470 0.001 0.000 0.274 1058 S C 1.071 175.694 174.600 0.038 0.000 1.281 1058 S CA -0.213 58.018 58.200 0.052 0.000 1.035 1058 S CB 1.008 64.224 63.200 0.027 0.000 0.962 1058 S HN 0.608 nan 8.310 nan 0.000 0.512 1059 V N 2.537 122.441 119.914 -0.017 0.000 0.441 1059 V HA -0.270 3.851 4.120 0.001 0.000 0.092 1059 V C -0.378 175.611 176.094 -0.175 0.000 2.557 1059 V CA 1.989 64.201 62.300 -0.147 0.000 3.721 1059 V CB -2.289 29.326 31.823 -0.347 0.000 0.992 1059 V HN 0.882 nan 8.190 nan 0.000 1.042 1060 Y N 1.080 121.512 120.300 0.221 0.000 2.509 1060 Y HA 0.781 5.331 4.550 0.001 0.000 0.341 1060 Y C 0.336 176.400 175.900 0.273 0.000 1.038 1060 Y CA -0.105 58.137 58.100 0.237 0.000 1.089 1060 Y CB 2.098 40.678 38.460 0.200 0.000 1.241 1060 Y HN 0.487 nan 8.280 nan 0.000 0.468 1061 S N 0.295 116.249 115.700 0.424 0.000 2.752 1061 S HA 0.538 5.009 4.470 0.001 0.000 0.284 1061 S C -1.480 173.312 174.600 0.320 0.000 1.189 1061 S CA -1.262 57.170 58.200 0.387 0.000 0.835 1061 S CB 2.214 65.541 63.200 0.212 0.000 1.192 1061 S HN 0.625 nan 8.310 nan 0.000 0.506 1062 Q N -0.211 119.756 119.800 0.278 0.000 2.266 1062 Q HA 0.551 4.891 4.340 0.001 0.000 0.261 1062 Q C 0.486 176.561 176.000 0.124 0.000 0.985 1062 Q CA -0.867 55.046 55.803 0.182 0.000 0.873 1062 Q CB 1.372 30.216 28.738 0.177 0.000 1.306 1062 Q HN 0.715 nan 8.270 nan 0.000 0.447 1063 L N 2.369 123.666 121.223 0.122 0.000 2.145 1063 L HA 0.297 4.637 4.340 0.001 0.000 0.201 1063 L C -0.991 175.918 176.870 0.065 0.000 1.075 1063 L CA 0.482 55.383 54.840 0.102 0.000 0.773 1063 L CB -1.681 40.451 42.059 0.121 0.000 0.936 1063 L HN 0.542 nan 8.230 nan 0.000 0.451 1064 P HA 0.132 nan 4.420 nan 0.000 0.234 1064 P C 0.965 178.271 177.300 0.009 0.000 1.167 1064 P CA 1.566 64.683 63.100 0.028 0.000 0.763 1064 P CB 0.340 32.051 31.700 0.018 0.000 0.835 1065 G N -0.289 108.520 108.800 0.014 0.000 2.261 1065 G HA2 -0.126 3.834 3.960 0.001 0.000 0.228 1065 G HA3 -0.126 3.834 3.960 0.001 0.000 0.228 1065 G C -0.927 173.976 174.900 0.004 0.000 2.090 1065 G CA -0.460 44.643 45.100 0.006 0.000 1.588 1065 G HN 0.397 nan 8.290 nan 0.000 0.520 1066 Q N 0.774 120.567 119.800 -0.013 0.000 2.334 1066 Q HA 0.517 4.857 4.340 0.001 0.000 0.249 1066 Q C -1.803 174.165 176.000 -0.054 0.000 0.909 1066 Q CA -0.291 55.501 55.803 -0.018 0.000 0.823 1066 Q CB 2.491 31.225 28.738 -0.008 0.000 1.353 1066 Q HN 0.525 nan 8.270 nan 0.000 0.433 1067 E N 1.059 121.208 120.200 -0.085 0.000 2.176 1067 E HA 0.498 4.848 4.350 0.001 0.000 0.267 1067 E C -0.338 176.236 176.600 -0.044 0.000 0.893 1067 E CA -0.495 55.797 56.400 -0.180 0.000 0.761 1067 E CB 1.636 31.079 29.700 -0.429 0.000 1.133 1067 E HN 0.689 nan 8.360 nan 0.000 0.409 1068 A N 3.618 126.484 122.820 0.076 0.000 2.370 1068 A HA 0.094 4.414 4.320 0.001 0.000 0.238 1068 A C 0.476 178.231 177.584 0.285 0.000 1.289 1068 A CA -0.170 51.954 52.037 0.144 0.000 0.885 1068 A CB -0.295 18.776 19.000 0.118 0.000 0.961 1068 A HN 0.512 nan 8.150 nan 0.000 0.499 1069 F N 0.413 120.341 119.950 -0.036 0.000 2.664 1069 F HA -0.055 4.472 4.527 0.001 0.000 0.297 1069 F C 1.850 177.622 175.800 -0.046 0.000 1.164 1069 F CA 0.456 58.429 58.000 -0.045 0.000 1.472 1069 F CB -0.623 38.318 39.000 -0.098 0.000 1.108 1069 F HN 0.440 nan 8.300 nan 0.000 0.596 1070 M N -0.653 119.035 119.600 0.146 0.000 2.738 1070 M HA 0.327 4.808 4.480 0.001 0.000 0.295 1070 M C 0.124 176.441 176.300 0.029 0.000 1.266 1070 M CA 0.263 55.607 55.300 0.074 0.000 0.985 1070 M CB 0.255 32.916 32.600 0.101 0.000 1.365 1070 M HN -0.029 nan 8.290 nan 0.000 0.492 1071 R N 1.278 121.801 120.500 0.038 0.000 3.107 1071 R HA 0.618 4.958 4.340 0.001 0.000 0.251 1071 R C -1.434 174.885 176.300 0.032 0.000 1.818 1071 R CA -0.004 56.105 56.100 0.017 0.000 1.228 1071 R CB 0.877 31.192 30.300 0.025 0.000 1.459 1071 R HN 0.408 nan 8.270 nan 0.000 0.520 1072 A N 1.995 124.833 122.820 0.029 0.000 2.240 1072 A HA 0.610 4.930 4.320 0.001 0.000 0.292 1072 A C -0.688 177.014 177.584 0.195 0.000 1.121 1072 A CA -0.352 51.761 52.037 0.126 0.000 0.851 1072 A CB 1.185 20.340 19.000 0.259 0.000 1.167 1072 A HN 0.654 nan 8.150 nan 0.000 0.503 1073 Q N -1.324 118.640 119.800 0.273 0.000 2.426 1073 Q HA 0.534 4.874 4.340 0.001 0.000 0.278 1073 Q C -1.915 174.165 176.000 0.134 0.000 1.007 1073 Q CA -0.444 55.496 55.803 0.228 0.000 0.850 1073 Q CB 2.218 31.013 28.738 0.094 0.000 1.427 1073 Q HN 0.670 nan 8.270 nan 0.000 0.391 1074 T N 1.915 116.538 114.554 0.114 0.000 2.965 1074 T HA 0.273 4.623 4.350 0.001 0.000 0.306 1074 T C -1.091 173.608 174.700 -0.003 0.000 0.991 1074 T CA -0.428 61.612 62.100 -0.100 0.000 1.001 1074 T CB 1.473 70.388 68.868 0.077 0.000 0.984 1074 T HN 0.462 nan 8.240 nan 0.000 0.446 1075 T N 3.223 117.689 114.554 -0.147 0.000 2.801 1075 T HA 0.468 4.818 4.350 0.001 0.000 0.306 1075 T C 0.072 174.949 174.700 0.295 0.000 1.020 1075 T CA -0.179 61.961 62.100 0.065 0.000 0.948 1075 T CB 0.182 69.068 68.868 0.031 0.000 0.962 1075 T HN 0.498 nan 8.240 nan 0.000 0.465 1076 T N 4.086 118.860 114.554 0.367 0.000 2.918 1076 T HA 0.598 4.948 4.350 0.001 0.000 0.283 1076 T C -0.363 174.382 174.700 0.075 0.000 1.001 1076 T CA -0.513 61.773 62.100 0.309 0.000 1.041 1076 T CB 1.255 70.248 68.868 0.208 0.000 1.028 1076 T HN 0.491 nan 8.240 nan 0.000 0.511 1077 V N 2.985 122.849 119.914 -0.083 0.000 2.604 1077 V HA 0.423 4.544 4.120 0.001 0.000 0.305 1077 V C -0.564 175.275 176.094 -0.425 0.000 1.043 1077 V CA -0.755 61.436 62.300 -0.181 0.000 0.888 1077 V CB 1.696 33.418 31.823 -0.168 0.000 0.995 1077 V HN 0.616 nan 8.190 nan 0.000 0.429 1078 L N 3.451 124.492 121.223 -0.303 0.000 3.030 1078 L HA 0.365 4.705 4.340 0.001 0.000 0.252 1078 L C 0.593 177.309 176.870 -0.257 0.000 1.316 1078 L CA 0.406 55.028 54.840 -0.363 0.000 0.975 1078 L CB 0.448 42.372 42.059 -0.225 0.000 1.357 1078 L HN 0.751 nan 8.230 nan 0.000 0.534 1079 E N 2.438 122.468 120.200 -0.284 0.000 2.104 1079 E HA 0.180 4.530 4.350 0.001 0.000 0.278 1079 E C -0.681 175.795 176.600 -0.206 0.000 1.127 1079 E CA -0.094 56.177 56.400 -0.215 0.000 0.897 1079 E CB 0.381 29.932 29.700 -0.249 0.000 1.043 1079 E HN 0.144 nan 8.360 nan 0.000 0.410 1080 K N 4.860 125.215 120.400 -0.075 0.000 2.637 1080 K HA 0.156 4.476 4.320 0.001 0.000 0.248 1080 K C -1.488 175.187 176.600 0.124 0.000 0.971 1080 K CA -0.706 55.582 56.287 0.001 0.000 0.858 1080 K CB 1.230 33.761 32.500 0.051 0.000 1.170 1080 K HN 0.457 nan 8.250 nan 0.000 0.443 1081 Y N 2.324 122.658 120.300 0.057 0.000 2.593 1081 Y HA 0.369 4.919 4.550 0.001 0.000 0.330 1081 Y C 0.360 176.317 175.900 0.095 0.000 1.223 1081 Y CA -0.036 58.130 58.100 0.110 0.000 1.350 1081 Y CB 0.824 39.425 38.460 0.235 0.000 1.499 1081 Y HN 0.546 nan 8.280 nan 0.000 0.554 1082 K N 0.000 120.026 120.400 -0.623 0.000 2.780 1082 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1082 K CA 0.000 56.034 56.287 -0.421 0.000 0.838 1082 K CB 0.000 32.421 32.500 -0.132 0.000 1.064 1082 K HN 0.000 nan 8.250 nan 0.000 0.543