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 3kls_1_B DATA FIRST_RESID 22 DATA SEQUENCE TYVISAPKIF RVGASENIVI QVYGYTEAFD ATISIKSYPD KKFSYSSGHV DATA SEQUENCE HLSSENKFQN SAILTIQPKQ LPGGQNPVSY VYLEVVSKHF SKSKRMPITY DATA SEQUENCE DNGFLFIHTD KPVYTPDQSV KVRVYSLNDD LKPAKRETVL TFIDPEGSEV DATA SEQUENCE DMVEEIDHIG IISFPDFKIP SNPRYGMWTI KAKYKEDFST TGTAYFEVKE DATA SEQUENCE YVLPHFSVSI EPEYNFIGYK NFKNFEITIK ARYFYNKVVT EADVYITFGI DATA SEQUENCE REDLKDDQKE MMQTAMQNTM LINGIAQVTF DSETAVKELS YYSLEDLNNK DATA SEQUENCE YLYIAVTVIE STGGFSEEAE IPGIKYVLSP YKLNLVATPL FLKPGIPYPI DATA SEQUENCE KVQVKDSLDQ LVGGVPVTLN AQTIDVNQET SDLDPSKSVT RVDDGVASFV DATA SEQUENCE LNLPSGVTVL EFNVKTDAPD LPEENQAREG YRAIAYSSLS QSYLYIDWTD DATA SEQUENCE NHKALLVGEH LNIIVTPKSP YIDKITHYNY LILSKGKIIH FGTREKFSDA DATA SEQUENCE SYQSINIPVT QNMVPSSRLL VYYIVTGEQT AELVSDSVWL NIEEKcGNQL DATA SEQUENCE QVHLSPDADA YSPGQTVSLN MATGMDSWVA LAAVDSAVYG VQRGAKKPLE DATA SEQUENCE RVFQFLEKSD LGcGAGGGLN NANVFHLAGL TFLTNANADD SQENDEPcKE DATA SEQUENCE ILXXXXXLQK KIEEIAAKYK HSVVKKccYD GACVNNDETc EQRAARISLG DATA SEQUENCE PRcIKAFTEc cVVASQLRAN ISXXXXXLGR LHMKTLLPVS KPEIRSYFPE DATA SEQUENCE SWLWEVHLVP RRKQLQFALP DSLTTWEIQG IGISNTGIcV ADTVKAKVFK DATA SEQUENCE DVFLEMNIPY SVVRGEQIQL KGTVYNYRTS GMQFcVKMSA VEGIcTSESX DATA SEQUENCE XXXXXXXXXX KcVRQKVEGS SSHLVTFTVL PLEIGLHNIN FSLETWFGKE DATA SEQUENCE ILVKTLRVVP EGVKRESYSG VTLDPRGIYG TISRRKEFPY RIPLDLVPKT DATA SEQUENCE EIKRILSVKG LLVGEILSAV LSQEGINILT HLPKGSAEAE LMSVVPVFYV DATA SEQUENCE FHYLETGNHW NIFHSDPLIE KQKLKKKLKE GMLSIMSYRN ADYSYSVWKG DATA SEQUENCE GSASTWLTAF ALRVLGQVNK YVEQNQNSIc NSLLWLVENY QLDNGSFKEN DATA SEQUENCE SQYQPIKLQG TLPVEARENS LYLTAFTVIG IRKAFDIcPL VKIDTALIKA DATA SEQUENCE DNFLLENTLP AQSTFTLAIS AYALSLGDKT HPQFRSIVSA LKREALVKGN DATA SEQUENCE PPIYRFWKDN LQHKDSSVPN TGTARMVETT AYALLTSLNL KDINYVNPVI DATA SEQUENCE KWLSEEQRYG GGFYSTQDTI NAIEGLTEYS LLVKQLRLSM DIDVSYKHKG DATA SEQUENCE ALHNYKMTDK NFLGRPVEVL LNDDLIVSTG FGSGLATVHV TTVVHKTSTS DATA SEQUENCE EEVcSFYLKI DTQDIXXXXX XXXXXXXYKR IVAcASYKPS REESSSGSSH DATA SEQUENCE AVMDISLPTG ISANEEDLKA LVEGVDQLFT DYQIKDGHVI LQLNSIPSSD DATA SEQUENCE FLcVRFRIFE LFEVGFLSPA TFTVYEYHRP DKQcTMFYST SNIKIQKVcE DATA SEQUENCE GAAcKcVEAD C 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 22 T HA 0.000 nan 4.350 nan 0.000 0.228 22 T C 0.000 174.732 174.700 0.053 0.000 1.109 22 T CA 0.000 62.048 62.100 -0.087 0.000 1.349 22 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 23 Y N -0.714 119.610 120.300 0.040 0.000 2.457 23 Y HA 0.904 5.453 4.550 -0.000 0.000 0.333 23 Y C -0.866 175.074 175.900 0.066 0.000 1.119 23 Y CA -2.505 55.641 58.100 0.078 0.000 1.143 23 Y CB 0.581 39.083 38.460 0.069 0.000 1.230 23 Y HN 0.637 nan 8.280 nan 0.000 0.469 24 V N 4.586 124.679 119.914 0.298 0.000 2.638 24 V HA 0.453 4.572 4.120 -0.000 0.000 0.306 24 V C -0.740 175.416 176.094 0.104 0.000 1.052 24 V CA -0.762 61.636 62.300 0.164 0.000 0.885 24 V CB 1.991 33.937 31.823 0.206 0.000 0.999 24 V HN 0.705 nan 8.190 nan 0.000 0.424 25 I N 3.792 124.364 120.570 0.003 0.000 2.542 25 I HA 0.323 4.493 4.170 -0.000 0.000 0.278 25 I C 0.146 176.244 176.117 -0.031 0.000 1.069 25 I CA 0.059 61.346 61.300 -0.022 0.000 1.100 25 I CB 1.730 39.675 38.000 -0.092 0.000 1.204 25 I HN 0.516 nan 8.210 nan 0.000 0.470 26 S N 4.081 119.780 115.700 -0.001 0.000 2.601 26 S HA 0.866 5.336 4.470 -0.000 0.000 0.271 26 S C 0.210 174.804 174.600 -0.010 0.000 1.305 26 S CA -0.448 57.753 58.200 0.002 0.000 1.022 26 S CB 2.167 65.415 63.200 0.080 0.000 0.940 26 S HN 0.787 nan 8.310 nan 0.000 0.525 27 A N 2.076 124.888 122.820 -0.013 0.000 2.583 27 A HA 0.700 5.020 4.320 -0.000 0.000 0.292 27 A C -3.271 174.260 177.584 -0.088 0.000 1.045 27 A CA -1.421 50.604 52.037 -0.021 0.000 0.672 27 A CB 0.173 19.193 19.000 0.033 0.000 1.283 27 A HN 0.508 nan 8.150 nan 0.000 0.419 28 P HA 0.037 nan 4.420 nan 0.000 0.270 28 P C 0.537 177.652 177.300 -0.308 0.000 1.216 28 P CA 0.250 63.241 63.100 -0.183 0.000 0.788 28 P CB 0.573 32.157 31.700 -0.194 0.000 0.883 29 K N 1.502 121.748 120.400 -0.255 0.000 2.217 29 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 29 K C 0.446 176.803 176.600 -0.406 0.000 1.051 29 K CA 1.704 57.808 56.287 -0.306 0.000 0.952 29 K CB -0.056 32.312 32.500 -0.220 0.000 0.736 29 K HN 0.281 nan 8.250 nan 0.000 0.453 30 I N 0.075 120.396 120.570 -0.416 0.000 2.934 30 I HA 0.287 4.456 4.170 -0.000 0.000 0.306 30 I C -0.265 175.532 176.117 -0.532 0.000 1.110 30 I CA -1.064 59.967 61.300 -0.449 0.000 1.019 30 I CB 1.584 39.427 38.000 -0.262 0.000 1.227 30 I HN -0.164 nan 8.210 nan 0.000 0.434 31 F N 2.558 122.408 119.950 -0.166 0.000 2.457 31 F HA 0.647 5.174 4.527 -0.001 0.000 0.330 31 F C 0.510 176.214 175.800 -0.161 0.000 1.069 31 F CA -0.776 57.134 58.000 -0.149 0.000 1.009 31 F CB 1.198 40.109 39.000 -0.148 0.000 1.276 31 F HN 0.142 nan 8.300 nan 0.000 0.492 32 R N 0.160 120.718 120.500 0.095 0.000 2.673 32 R HA 0.538 4.878 4.340 -0.000 0.000 0.281 32 R C -1.609 174.695 176.300 0.007 0.000 0.991 32 R CA -1.010 55.084 56.100 -0.011 0.000 0.896 32 R CB 2.366 32.625 30.300 -0.069 0.000 1.201 32 R HN 0.336 nan 8.270 nan 0.000 0.457 33 V N 1.699 121.648 119.914 0.057 0.000 2.740 33 V HA 0.156 4.276 4.120 -0.000 0.000 0.303 33 V C 1.466 177.726 176.094 0.277 0.000 1.054 33 V CA 1.108 63.508 62.300 0.165 0.000 1.106 33 V CB 1.030 33.044 31.823 0.318 0.000 0.957 33 V HN 1.115 nan 8.190 nan 0.000 0.486 34 G N 2.880 111.814 108.800 0.223 0.000 2.186 34 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.266 34 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.266 34 G C 0.324 175.246 174.900 0.038 0.000 0.982 34 G CA 0.311 45.545 45.100 0.223 0.000 0.670 34 G HN 1.627 nan 8.290 nan 0.000 0.533 35 A N 0.240 123.060 122.820 -0.001 0.000 2.276 35 A HA 0.734 5.054 4.320 -0.000 0.000 0.316 35 A C 0.659 178.234 177.584 -0.015 0.000 1.229 35 A CA 0.531 52.549 52.037 -0.031 0.000 0.851 35 A CB 0.843 19.821 19.000 -0.037 0.000 1.165 35 A HN 1.213 nan 8.150 nan 0.000 0.513 36 S N 3.267 118.962 115.700 -0.009 0.000 2.686 36 S HA 0.151 4.620 4.470 -0.000 0.000 0.324 36 S C -0.247 174.356 174.600 0.005 0.000 1.172 36 S CA -0.387 57.810 58.200 -0.005 0.000 1.127 36 S CB -0.132 63.069 63.200 0.002 0.000 1.338 36 S HN 0.632 nan 8.310 nan 0.000 0.547 37 E N 3.023 123.227 120.200 0.006 0.000 2.129 37 E HA 0.162 4.512 4.350 -0.000 0.000 0.283 37 E C -0.401 176.221 176.600 0.036 0.000 1.080 37 E CA -0.295 56.141 56.400 0.060 0.000 0.867 37 E CB 0.238 30.020 29.700 0.136 0.000 1.056 37 E HN 0.439 nan 8.360 nan 0.000 0.404 38 N N 2.722 121.436 118.700 0.024 0.000 2.470 38 N HA 0.146 4.886 4.740 -0.000 0.000 0.268 38 N C -0.578 174.918 175.510 -0.024 0.000 1.136 38 N CA 0.097 53.134 53.050 -0.021 0.000 0.961 38 N CB 0.534 38.993 38.487 -0.046 0.000 1.067 38 N HN 0.296 nan 8.380 nan 0.000 0.468 39 I N 2.900 123.431 120.570 -0.065 0.000 2.540 39 I HA 0.133 4.303 4.170 -0.000 0.000 0.280 39 I C -0.109 175.913 176.117 -0.159 0.000 1.083 39 I CA -0.990 60.269 61.300 -0.068 0.000 1.080 39 I CB 0.604 38.597 38.000 -0.012 0.000 1.205 39 I HN 0.179 nan 8.210 nan 0.000 0.459 40 V N 5.612 125.366 119.914 -0.266 0.000 2.881 40 V HA 0.627 4.747 4.120 -0.000 0.000 0.303 40 V C -0.125 175.892 176.094 -0.128 0.000 1.070 40 V CA -0.186 61.861 62.300 -0.421 0.000 1.074 40 V CB 2.323 33.601 31.823 -0.909 0.000 1.012 40 V HN 0.668 nan 8.190 nan 0.000 0.482 41 I N 3.929 124.486 120.570 -0.022 0.000 2.647 41 I HA 0.676 4.846 4.170 -0.000 0.000 0.295 41 I C -0.990 175.247 176.117 0.200 0.000 1.078 41 I CA -0.436 60.913 61.300 0.083 0.000 1.048 41 I CB 1.738 39.765 38.000 0.045 0.000 1.239 41 I HN 1.134 nan 8.210 nan 0.000 0.421 42 Q N 6.861 126.799 119.800 0.230 0.000 2.479 42 Q HA 0.598 4.938 4.340 -0.000 0.000 0.276 42 Q C -2.509 173.657 176.000 0.278 0.000 0.989 42 Q CA -0.574 55.389 55.803 0.268 0.000 0.864 42 Q CB 2.855 31.782 28.738 0.315 0.000 1.444 42 Q HN 0.672 nan 8.270 nan 0.000 0.388 43 V N 2.959 123.038 119.914 0.276 0.000 3.264 43 V HA 0.342 4.462 4.120 -0.000 0.000 0.294 43 V C -1.752 174.468 176.094 0.209 0.000 1.429 43 V CA -0.399 62.062 62.300 0.269 0.000 1.053 43 V CB 2.301 34.300 31.823 0.293 0.000 1.128 43 V HN 0.922 nan 8.190 nan 0.000 0.452 44 Y N 2.650 122.970 120.300 0.034 0.000 2.532 44 Y HA 0.561 5.111 4.550 -0.001 0.000 0.283 44 Y C 1.166 176.961 175.900 -0.175 0.000 1.181 44 Y CA 0.133 58.230 58.100 -0.006 0.000 1.256 44 Y CB -0.121 38.368 38.460 0.049 0.000 1.112 44 Y HN 0.779 nan 8.280 nan 0.000 0.521 45 G N 0.645 109.185 108.800 -0.434 0.000 2.414 45 G HA2 0.012 3.971 3.960 -0.000 0.000 0.236 45 G HA3 0.012 3.971 3.960 -0.000 0.000 0.236 45 G C -0.145 174.246 174.900 -0.847 0.000 1.293 45 G CA -0.127 44.464 45.100 -0.849 0.000 0.869 45 G HN 0.522 nan 8.290 nan 0.000 0.556 46 Y N 0.324 120.398 120.300 -0.377 0.000 2.321 46 Y HA 0.139 4.689 4.550 -0.000 0.000 0.434 46 Y C 2.223 178.085 175.900 -0.062 0.000 1.273 46 Y CA 0.367 58.340 58.100 -0.212 0.000 1.962 46 Y CB -0.990 37.376 38.460 -0.158 0.000 1.659 46 Y HN 0.407 nan 8.280 nan 0.000 0.726 47 T N -1.222 113.534 114.554 0.338 0.000 2.759 47 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 47 T C 0.470 175.404 174.700 0.391 0.000 1.042 47 T CA 1.562 63.854 62.100 0.319 0.000 1.140 47 T CB -0.501 68.488 68.868 0.202 0.000 0.864 47 T HN 0.544 nan 8.240 nan 0.000 0.455 48 E N 2.045 122.484 120.200 0.399 0.000 2.406 48 E HA 0.344 4.694 4.350 -0.000 0.000 0.247 48 E C 0.299 177.162 176.600 0.437 0.000 1.160 48 E CA -0.219 56.390 56.400 0.348 0.000 0.950 48 E CB -0.311 29.603 29.700 0.356 0.000 0.993 48 E HN 0.432 nan 8.360 nan 0.000 0.472 49 A N 4.384 127.489 122.820 0.474 0.000 2.599 49 A HA 0.322 4.642 4.320 -0.000 0.000 0.240 49 A C -0.073 177.897 177.584 0.643 0.000 1.109 49 A CA 0.937 53.306 52.037 0.553 0.000 0.798 49 A CB -0.175 19.048 19.000 0.372 0.000 1.050 49 A HN 0.887 nan 8.150 nan 0.000 0.518 50 F N -1.663 118.435 119.950 0.246 0.000 2.656 50 F HA 0.440 4.966 4.527 -0.000 0.000 0.326 50 F C -1.048 174.852 175.800 0.167 0.000 1.109 50 F CA -1.317 56.810 58.000 0.212 0.000 1.086 50 F CB 0.319 39.385 39.000 0.109 0.000 1.324 50 F HN 0.479 nan 8.300 nan 0.000 0.511 51 D N 2.478 123.049 120.400 0.285 0.000 2.390 51 D HA 0.484 5.124 4.640 -0.000 0.000 0.236 51 D C -0.354 175.887 176.300 -0.099 0.000 1.189 51 D CA 1.007 55.087 54.000 0.132 0.000 0.887 51 D CB 1.506 42.361 40.800 0.091 0.000 1.198 51 D HN 0.985 nan 8.370 nan 0.000 0.444 52 A N 1.146 123.853 122.820 -0.188 0.000 2.547 52 A HA 0.474 4.794 4.320 -0.000 0.000 0.279 52 A C -0.524 176.970 177.584 -0.149 0.000 1.088 52 A CA -0.645 51.306 52.037 -0.144 0.000 0.796 52 A CB 1.212 20.103 19.000 -0.182 0.000 1.308 52 A HN 0.314 nan 8.150 nan 0.000 0.415 53 T N 2.983 117.488 114.554 -0.082 0.000 2.829 53 T HA 0.719 5.068 4.350 -0.000 0.000 0.280 53 T C -0.155 174.556 174.700 0.018 0.000 0.999 53 T CA -0.085 62.000 62.100 -0.026 0.000 0.983 53 T CB 0.683 69.579 68.868 0.047 0.000 0.968 53 T HN 0.501 nan 8.240 nan 0.000 0.446 54 I N 1.675 122.260 120.570 0.024 0.000 3.108 54 I HA 0.762 4.931 4.170 -0.000 0.000 0.312 54 I C -0.239 175.897 176.117 0.031 0.000 1.095 54 I CA -0.813 60.501 61.300 0.023 0.000 1.000 54 I CB 2.424 40.428 38.000 0.007 0.000 1.229 54 I HN 0.768 nan 8.210 nan 0.000 0.454 55 S N 1.779 117.495 115.700 0.027 0.000 2.688 55 S HA 0.500 4.970 4.470 -0.000 0.000 0.266 55 S C -1.139 173.485 174.600 0.039 0.000 1.061 55 S CA -1.048 57.172 58.200 0.034 0.000 0.844 55 S CB 1.075 64.304 63.200 0.049 0.000 1.103 55 S HN 0.604 nan 8.310 nan 0.000 0.471 56 I N -0.913 119.707 120.570 0.083 0.000 2.382 56 I HA 0.737 4.907 4.170 -0.000 0.000 0.286 56 I C -0.997 175.299 176.117 0.298 0.000 1.002 56 I CA -0.612 60.773 61.300 0.141 0.000 1.135 56 I CB 1.251 39.310 38.000 0.100 0.000 1.288 56 I HN 0.515 nan 8.210 nan 0.000 0.448 57 K N 3.935 124.496 120.400 0.268 0.000 2.426 57 K HA 0.461 4.780 4.320 -0.000 0.000 0.251 57 K C -0.590 176.196 176.600 0.311 0.000 0.941 57 K CA -0.772 55.645 56.287 0.217 0.000 0.808 57 K CB 2.669 35.233 32.500 0.107 0.000 1.265 57 K HN 0.770 nan 8.250 nan 0.000 0.432 58 S N 2.502 118.350 115.700 0.246 0.000 2.439 58 S HA 0.134 4.604 4.470 -0.000 0.000 0.282 58 S C 0.481 175.261 174.600 0.300 0.000 1.170 58 S CA -0.579 57.815 58.200 0.323 0.000 1.054 58 S CB 0.002 63.371 63.200 0.281 0.000 0.956 58 S HN 0.649 nan 8.310 nan 0.000 0.490 59 Y N 4.395 124.873 120.300 0.296 0.000 1.352 59 Y HA -0.297 4.252 4.550 -0.000 0.000 0.092 59 Y C -1.774 173.960 175.900 -0.278 0.000 0.594 59 Y CA 2.145 60.411 58.100 0.276 0.000 0.340 59 Y CB -2.060 36.544 38.460 0.240 0.000 0.536 59 Y HN 0.507 nan 8.280 nan 0.000 0.828 60 P HA 0.063 nan 4.420 nan 0.000 0.236 60 P C -0.708 176.389 177.300 -0.339 0.000 1.177 60 P CA 1.586 64.373 63.100 -0.523 0.000 0.773 60 P CB -0.165 31.251 31.700 -0.473 0.000 0.878 61 D N 0.109 120.392 120.400 -0.195 0.000 2.373 61 D HA 0.087 4.727 4.640 -0.000 0.000 0.227 61 D C -0.187 176.049 176.300 -0.107 0.000 1.091 61 D CA -0.613 53.312 54.000 -0.125 0.000 0.840 61 D CB 1.281 42.050 40.800 -0.052 0.000 1.060 61 D HN -0.053 nan 8.370 nan 0.000 0.502 62 K N 2.006 122.330 120.400 -0.126 0.000 3.225 62 K HA 0.005 4.325 4.320 -0.000 0.000 0.282 62 K C 1.189 177.749 176.600 -0.065 0.000 1.060 62 K CA -0.208 56.028 56.287 -0.085 0.000 1.186 62 K CB 0.295 32.747 32.500 -0.080 0.000 1.214 62 K HN 0.220 nan 8.250 nan 0.000 0.428 63 K N 0.124 120.488 120.400 -0.061 0.000 2.017 63 K HA 0.034 4.354 4.320 -0.000 0.000 0.207 63 K C 0.478 176.983 176.600 -0.159 0.000 1.035 63 K CA 0.824 57.046 56.287 -0.109 0.000 0.947 63 K CB -0.204 32.229 32.500 -0.112 0.000 0.749 63 K HN 0.098 nan 8.250 nan 0.000 0.443 64 F N 2.050 121.890 119.950 -0.184 0.000 2.538 64 F HA -0.039 4.488 4.527 -0.000 0.000 0.371 64 F C 0.774 176.309 175.800 -0.442 0.000 1.087 64 F CA 0.129 57.923 58.000 -0.343 0.000 1.250 64 F CB 0.664 39.391 39.000 -0.455 0.000 1.110 64 F HN -0.060 nan 8.300 nan 0.000 0.570 65 S N 4.952 120.533 115.700 -0.198 0.000 2.664 65 S HA 0.267 4.736 4.470 -0.000 0.000 0.262 65 S C 0.265 174.808 174.600 -0.095 0.000 1.229 65 S CA -0.742 57.364 58.200 -0.157 0.000 1.151 65 S CB -0.035 63.136 63.200 -0.047 0.000 1.054 65 S HN 0.563 nan 8.310 nan 0.000 0.483 66 Y N 3.376 123.739 120.300 0.105 0.000 2.145 66 Y HA 0.049 4.599 4.550 -0.000 0.000 0.286 66 Y C 1.623 177.546 175.900 0.038 0.000 1.145 66 Y CA 0.943 59.087 58.100 0.074 0.000 1.148 66 Y CB -0.282 38.182 38.460 0.008 0.000 0.981 66 Y HN 0.846 nan 8.280 nan 0.000 0.507 67 S N -1.677 114.135 115.700 0.187 0.000 2.672 67 S HA 0.779 5.249 4.470 -0.000 0.000 0.271 67 S C -0.671 173.968 174.600 0.066 0.000 1.171 67 S CA -0.376 57.881 58.200 0.095 0.000 0.817 67 S CB 2.196 65.438 63.200 0.071 0.000 1.150 67 S HN 0.306 nan 8.310 nan 0.000 0.478 68 S N -0.928 114.801 115.700 0.048 0.000 2.755 68 S HA 0.941 5.411 4.470 -0.000 0.000 0.286 68 S C -0.461 174.168 174.600 0.049 0.000 1.207 68 S CA -0.521 57.707 58.200 0.046 0.000 0.892 68 S CB 0.818 64.053 63.200 0.058 0.000 1.240 68 S HN 2.271 nan 8.310 nan 0.000 0.525 69 G N -0.200 108.639 108.800 0.065 0.000 2.682 69 G HA2 0.499 4.458 3.960 -0.000 0.000 0.300 69 G HA3 0.499 4.458 3.960 -0.000 0.000 0.300 69 G C -2.079 172.886 174.900 0.107 0.000 1.396 69 G CA -0.722 44.424 45.100 0.078 0.000 1.104 69 G HN 0.845 nan 8.290 nan 0.000 0.587 70 H N 1.708 120.797 119.070 0.030 0.000 2.788 70 H HA 0.443 4.999 4.556 -0.001 0.000 0.254 70 H C 0.405 175.763 175.328 0.051 0.000 1.541 70 H CA -0.135 55.938 56.048 0.041 0.000 1.295 70 H CB 0.721 30.505 29.762 0.037 0.000 1.592 70 H HN 0.593 nan 8.280 nan 0.000 0.545 71 V N 2.418 122.318 119.914 -0.024 0.000 2.275 71 V HA 0.269 4.388 4.120 -0.000 0.000 0.272 71 V C -0.307 175.764 176.094 -0.038 0.000 1.028 71 V CA -0.972 61.331 62.300 0.004 0.000 0.810 71 V CB 0.466 32.293 31.823 0.006 0.000 1.043 71 V HN 0.705 nan 8.190 nan 0.000 0.453 72 H N 6.706 125.724 119.070 -0.087 0.000 2.820 72 H HA 0.620 5.175 4.556 -0.000 0.000 0.278 72 H C 0.080 175.347 175.328 -0.102 0.000 1.142 72 H CA -0.602 55.377 56.048 -0.116 0.000 1.346 72 H CB 0.721 30.449 29.762 -0.058 0.000 1.438 72 H HN 0.901 nan 8.280 nan 0.000 0.473 73 L N 2.754 123.643 121.223 -0.557 0.000 2.464 73 L HA 0.551 4.890 4.340 -0.000 0.000 0.224 73 L C 0.196 176.640 176.870 -0.710 0.000 1.219 73 L CA -0.506 54.052 54.840 -0.471 0.000 0.831 73 L CB 0.387 42.309 42.059 -0.229 0.000 1.284 73 L HN 0.757 nan 8.230 nan 0.000 0.522 74 S N -3.052 112.245 115.700 -0.671 0.000 2.663 74 S HA 0.160 4.629 4.470 -0.000 0.000 0.264 74 S C 0.117 173.777 174.600 -1.567 0.000 1.112 74 S CA -0.211 57.477 58.200 -0.853 0.000 0.823 74 S CB 0.735 63.737 63.200 -0.329 0.000 1.111 74 S HN 0.478 nan 8.310 nan 0.000 0.476 75 S N 0.227 115.230 115.700 -1.161 0.000 2.500 75 S HA -0.033 4.436 4.470 -0.000 0.000 0.239 75 S C 1.448 175.813 174.600 -0.392 0.000 0.989 75 S CA 1.325 59.097 58.200 -0.714 0.000 0.951 75 S CB -0.507 62.574 63.200 -0.198 0.000 0.759 75 S HN 0.664 nan 8.310 nan 0.000 0.523 76 E N 1.265 121.261 120.200 -0.340 0.000 2.122 76 E HA -0.015 4.334 4.350 -0.000 0.000 0.190 76 E C 1.199 177.685 176.600 -0.189 0.000 0.977 76 E CA 0.479 56.766 56.400 -0.190 0.000 0.820 76 E CB 0.015 29.643 29.700 -0.120 0.000 0.770 76 E HN 0.216 nan 8.360 nan 0.000 0.462 77 N N 0.942 119.487 118.700 -0.257 0.000 2.327 77 N HA 0.003 4.742 4.740 -0.000 0.000 0.231 77 N C -0.561 174.814 175.510 -0.224 0.000 1.130 77 N CA 0.109 53.039 53.050 -0.200 0.000 0.845 77 N CB 0.066 38.452 38.487 -0.170 0.000 1.073 77 N HN 0.019 nan 8.380 nan 0.000 0.496 78 K N 0.335 120.574 120.400 -0.267 0.000 2.914 78 K HA -0.254 4.066 4.320 -0.000 0.000 0.253 78 K C -0.487 176.079 176.600 -0.056 0.000 0.986 78 K CA 0.469 56.638 56.287 -0.197 0.000 0.730 78 K CB -2.512 29.899 32.500 -0.149 0.000 1.228 78 K HN 0.520 nan 8.250 nan 0.000 0.483 79 F N -0.617 119.283 119.950 -0.083 0.000 2.695 79 F HA -0.325 4.201 4.527 -0.000 0.000 0.305 79 F C 0.532 176.313 175.800 -0.031 0.000 1.044 79 F CA 0.958 58.911 58.000 -0.077 0.000 1.049 79 F CB -1.106 37.891 39.000 -0.006 0.000 1.267 79 F HN 0.251 nan 8.300 nan 0.000 0.828 80 Q N 0.695 120.545 119.800 0.084 0.000 2.386 80 Q HA 0.609 4.948 4.340 -0.000 0.000 0.274 80 Q C -0.829 175.291 176.000 0.201 0.000 1.011 80 Q CA -1.219 54.689 55.803 0.176 0.000 0.867 80 Q CB 3.172 31.952 28.738 0.070 0.000 1.409 80 Q HN 0.334 nan 8.270 nan 0.000 0.395 81 N N -0.431 118.466 118.700 0.328 0.000 3.261 81 N HA 0.477 5.217 4.740 -0.000 0.000 0.248 81 N C -1.844 173.724 175.510 0.096 0.000 1.498 81 N CA -0.280 52.900 53.050 0.217 0.000 0.884 81 N CB 2.401 40.926 38.487 0.064 0.000 1.428 81 N HN 0.458 nan 8.380 nan 0.000 0.517 82 S N -0.796 114.930 115.700 0.043 0.000 2.556 82 S HA 0.930 5.400 4.470 -0.000 0.000 0.271 82 S C -1.648 172.939 174.600 -0.022 0.000 1.135 82 S CA -0.412 57.754 58.200 -0.058 0.000 0.858 82 S CB 1.585 64.730 63.200 -0.092 0.000 1.114 82 S HN 0.738 nan 8.310 nan 0.000 0.468 83 A N 2.015 124.812 122.820 -0.038 0.000 2.488 83 A HA 0.700 5.020 4.320 -0.000 0.000 0.298 83 A C -0.708 176.865 177.584 -0.017 0.000 1.044 83 A CA -0.789 51.240 52.037 -0.013 0.000 0.693 83 A CB 0.738 19.734 19.000 -0.007 0.000 1.272 83 A HN 0.949 nan 8.150 nan 0.000 0.402 84 I N 1.523 122.089 120.570 -0.005 0.000 2.257 84 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 84 I C -0.459 175.650 176.117 -0.013 0.000 1.137 84 I CA -0.708 60.587 61.300 -0.008 0.000 1.255 84 I CB -0.272 37.729 38.000 0.001 0.000 1.485 84 I HN 0.257 nan 8.210 nan 0.000 0.534 85 L N 3.553 124.757 121.223 -0.033 0.000 2.394 85 L HA 0.368 4.708 4.340 -0.000 0.000 0.229 85 L C 0.730 177.559 176.870 -0.069 0.000 1.225 85 L CA 0.388 55.194 54.840 -0.057 0.000 0.829 85 L CB -0.095 41.892 42.059 -0.121 0.000 1.195 85 L HN 0.742 nan 8.230 nan 0.000 0.548 86 T N 0.600 115.096 114.554 -0.096 0.000 4.111 86 T HA 0.249 4.598 4.350 -0.000 0.000 0.370 86 T C -0.743 173.885 174.700 -0.119 0.000 0.846 86 T CA -0.556 61.487 62.100 -0.095 0.000 0.979 86 T CB -0.179 68.668 68.868 -0.036 0.000 1.246 86 T HN 0.328 nan 8.240 nan 0.000 0.443 87 I N 5.558 125.991 120.570 -0.227 0.000 2.389 87 I HA 0.190 4.360 4.170 -0.000 0.000 0.295 87 I C 1.296 177.281 176.117 -0.219 0.000 1.117 87 I CA -0.331 60.745 61.300 -0.374 0.000 1.317 87 I CB 0.528 38.237 38.000 -0.485 0.000 1.431 87 I HN 0.519 nan 8.210 nan 0.000 0.521 88 Q N 7.305 127.014 119.800 -0.152 0.000 2.247 88 Q HA 0.343 4.683 4.340 -0.000 0.000 0.184 88 Q C -2.154 173.774 176.000 -0.119 0.000 1.067 88 Q CA -1.724 54.030 55.803 -0.081 0.000 1.115 88 Q CB -0.172 28.550 28.738 -0.027 0.000 1.147 88 Q HN 0.331 nan 8.270 nan 0.000 0.599 89 P HA -0.027 nan 4.420 nan 0.000 0.262 89 P C -0.277 176.975 177.300 -0.080 0.000 1.199 89 P CA 0.619 63.648 63.100 -0.120 0.000 0.763 89 P CB 0.585 32.186 31.700 -0.166 0.000 0.790 90 K N 1.422 121.774 120.400 -0.080 0.000 2.678 90 K HA 0.152 4.472 4.320 -0.000 0.000 0.240 90 K C 0.227 176.776 176.600 -0.084 0.000 1.508 90 K CA 0.191 56.420 56.287 -0.095 0.000 0.824 90 K CB -0.484 31.953 32.500 -0.105 0.000 1.893 90 K HN 0.214 nan 8.250 nan 0.000 0.366 91 Q N 2.325 122.090 119.800 -0.058 0.000 2.276 91 Q HA 0.143 4.483 4.340 -0.000 0.000 0.267 91 Q C 0.877 176.859 176.000 -0.029 0.000 1.135 91 Q CA 0.411 56.198 55.803 -0.026 0.000 0.910 91 Q CB 0.257 29.004 28.738 0.014 0.000 1.271 91 Q HN 0.306 nan 8.270 nan 0.000 0.417 92 L N 3.083 124.281 121.223 -0.042 0.000 2.640 92 L HA 0.178 4.518 4.340 -0.000 0.000 0.230 92 L C -1.323 175.516 176.870 -0.052 0.000 1.123 92 L CA -0.680 54.123 54.840 -0.062 0.000 0.900 92 L CB -0.130 41.889 42.059 -0.066 0.000 1.146 92 L HN 0.339 nan 8.230 nan 0.000 0.484 93 P HA 0.087 nan 4.420 nan 0.000 0.264 93 P C 0.302 177.586 177.300 -0.027 0.000 1.229 93 P CA 0.156 63.244 63.100 -0.021 0.000 0.780 93 P CB 0.571 32.269 31.700 -0.003 0.000 0.808 94 G N 2.096 110.874 108.800 -0.036 0.000 2.380 94 G HA2 0.361 4.321 3.960 -0.000 0.000 0.242 94 G HA3 0.361 4.321 3.960 -0.000 0.000 0.242 94 G C 1.000 175.888 174.900 -0.019 0.000 1.298 94 G CA 0.280 45.357 45.100 -0.039 0.000 0.878 94 G HN 0.814 nan 8.290 nan 0.000 0.542 95 G N 1.247 110.039 108.800 -0.014 0.000 2.956 95 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.210 95 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.210 95 G C 0.795 175.703 174.900 0.013 0.000 1.316 95 G CA 0.548 45.648 45.100 0.001 0.000 0.819 95 G HN 1.093 nan 8.290 nan 0.000 0.544 96 Q N 1.744 121.552 119.800 0.015 0.000 2.304 96 Q HA 0.176 4.515 4.340 -0.000 0.000 0.301 96 Q C -0.319 175.706 176.000 0.042 0.000 1.063 96 Q CA 0.297 56.118 55.803 0.029 0.000 0.947 96 Q CB 0.116 28.872 28.738 0.030 0.000 1.201 96 Q HN 0.452 nan 8.270 nan 0.000 0.389 97 N N 6.794 125.527 118.700 0.055 0.000 2.819 97 N HA 0.194 4.934 4.740 -0.000 0.000 0.284 97 N C -2.438 173.132 175.510 0.100 0.000 1.196 97 N CA -0.957 52.140 53.050 0.079 0.000 1.114 97 N CB 0.237 38.767 38.487 0.072 0.000 1.437 97 N HN 0.468 nan 8.380 nan 0.000 0.518 98 P HA 0.223 nan 4.420 nan 0.000 0.279 98 P C 0.964 178.360 177.300 0.159 0.000 1.276 98 P CA -0.479 62.693 63.100 0.121 0.000 0.801 98 P CB 1.201 32.962 31.700 0.102 0.000 1.127 99 V N -2.231 117.755 119.914 0.120 0.000 0.595 99 V HA -0.278 3.842 4.120 -0.000 0.000 0.063 99 V C 0.623 176.726 176.094 0.015 0.000 2.679 99 V CA 2.223 64.569 62.300 0.076 0.000 3.697 99 V CB -2.721 29.195 31.823 0.155 0.000 1.169 99 V HN 0.729 nan 8.190 nan 0.000 1.121 100 S N 1.257 116.993 115.700 0.060 0.000 2.589 100 S HA 0.419 4.889 4.470 -0.000 0.000 0.306 100 S C -0.454 174.250 174.600 0.173 0.000 1.221 100 S CA 0.526 58.779 58.200 0.089 0.000 1.159 100 S CB -0.529 62.766 63.200 0.159 0.000 0.990 100 S HN 0.825 nan 8.310 nan 0.000 0.514 101 Y N -1.782 118.381 120.300 -0.228 0.000 2.577 101 Y HA -0.119 4.431 4.550 -0.000 0.000 0.021 101 Y C 0.054 175.849 175.900 -0.175 0.000 1.787 101 Y CA 0.091 57.999 58.100 -0.319 0.000 1.371 101 Y CB -1.076 36.954 38.460 -0.718 0.000 2.023 101 Y HN 0.779 nan 8.280 nan 0.000 0.263 102 V N -0.592 119.357 119.914 0.058 0.000 3.112 102 V HA 0.865 4.985 4.120 -0.000 0.000 0.310 102 V C -1.865 174.388 176.094 0.265 0.000 1.364 102 V CA -1.361 61.088 62.300 0.248 0.000 1.058 102 V CB 2.657 34.583 31.823 0.171 0.000 1.079 102 V HN 0.592 nan 8.190 nan 0.000 0.463 103 Y N 0.862 121.279 120.300 0.194 0.000 2.331 103 Y HA 0.773 5.322 4.550 -0.000 0.000 0.334 103 Y C -0.324 175.652 175.900 0.128 0.000 0.960 103 Y CA -0.627 57.578 58.100 0.175 0.000 1.130 103 Y CB 1.912 40.478 38.460 0.177 0.000 1.164 103 Y HN 0.764 nan 8.280 nan 0.000 0.458 104 L N 3.871 125.207 121.223 0.188 0.000 2.326 104 L HA 0.496 4.835 4.340 -0.000 0.000 0.278 104 L C -0.429 176.516 176.870 0.125 0.000 1.092 104 L CA -0.155 54.768 54.840 0.139 0.000 0.810 104 L CB 1.049 43.218 42.059 0.184 0.000 1.153 104 L HN 0.741 nan 8.230 nan 0.000 0.439 105 E N 2.716 122.970 120.200 0.089 0.000 2.356 105 E HA 0.698 5.048 4.350 -0.000 0.000 0.275 105 E C -1.904 174.724 176.600 0.046 0.000 0.904 105 E CA -0.713 55.735 56.400 0.080 0.000 0.757 105 E CB 2.126 31.882 29.700 0.094 0.000 1.232 105 E HN 0.439 nan 8.360 nan 0.000 0.442 106 V N 2.624 122.562 119.914 0.039 0.000 2.962 106 V HA 0.616 4.736 4.120 -0.000 0.000 0.313 106 V C -0.873 175.259 176.094 0.063 0.000 1.099 106 V CA -0.726 61.594 62.300 0.034 0.000 0.971 106 V CB 2.149 33.972 31.823 0.001 0.000 1.028 106 V HN 0.541 nan 8.190 nan 0.000 0.430 107 V N 1.692 121.649 119.914 0.072 0.000 2.971 107 V HA 0.919 5.039 4.120 -0.000 0.000 0.309 107 V C -0.255 175.916 176.094 0.128 0.000 1.130 107 V CA -0.227 62.129 62.300 0.094 0.000 0.964 107 V CB 2.002 33.869 31.823 0.072 0.000 1.029 107 V HN 1.134 nan 8.190 nan 0.000 0.427 108 S N 2.465 118.274 115.700 0.182 0.000 2.873 108 S HA 0.535 5.005 4.470 -0.000 0.000 0.303 108 S C 0.063 174.817 174.600 0.256 0.000 1.222 108 S CA -0.239 58.125 58.200 0.274 0.000 0.923 108 S CB 1.614 65.102 63.200 0.481 0.000 1.286 108 S HN 0.708 nan 8.310 nan 0.000 0.571 109 K N 0.587 121.188 120.400 0.335 0.000 2.284 109 K HA 0.248 4.567 4.320 -0.000 0.000 0.198 109 K C 1.491 178.217 176.600 0.209 0.000 1.048 109 K CA 1.425 57.851 56.287 0.232 0.000 0.987 109 K CB -0.900 31.736 32.500 0.227 0.000 0.800 109 K HN 0.791 nan 8.250 nan 0.000 0.486 110 H N -1.850 117.278 119.070 0.097 0.000 2.557 110 H HA 0.303 4.859 4.556 -0.000 0.000 0.281 110 H C -0.651 174.791 175.328 0.190 0.000 0.990 110 H CA -0.092 55.981 56.048 0.042 0.000 1.278 110 H CB 0.499 30.159 29.762 -0.170 0.000 1.451 110 H HN 0.149 nan 8.280 nan 0.000 0.516 111 F N -0.109 119.818 119.950 -0.038 0.000 2.711 111 F HA 0.432 4.958 4.527 -0.000 0.000 0.313 111 F C -1.213 174.643 175.800 0.093 0.000 1.141 111 F CA -0.641 57.348 58.000 -0.019 0.000 0.941 111 F CB 2.323 41.362 39.000 0.065 0.000 1.349 111 F HN -0.186 nan 8.300 nan 0.000 0.464 112 S N 2.425 118.138 115.700 0.022 0.000 2.548 112 S HA 0.710 5.180 4.470 -0.000 0.000 0.276 112 S C -1.704 173.065 174.600 0.282 0.000 1.129 112 S CA -0.526 57.761 58.200 0.146 0.000 0.931 112 S CB 1.570 64.766 63.200 -0.007 0.000 1.068 112 S HN 0.669 nan 8.310 nan 0.000 0.480 113 K N 1.272 121.803 120.400 0.219 0.000 2.551 113 K HA 0.771 5.091 4.320 -0.000 0.000 0.269 113 K C -1.307 175.326 176.600 0.056 0.000 0.949 113 K CA -0.404 55.976 56.287 0.156 0.000 0.849 113 K CB 1.761 34.306 32.500 0.076 0.000 1.411 113 K HN 0.692 nan 8.250 nan 0.000 0.432 114 S N 1.156 116.894 115.700 0.063 0.000 2.819 114 S HA 0.786 5.255 4.470 -0.000 0.000 0.299 114 S C -1.577 173.039 174.600 0.026 0.000 1.192 114 S CA -0.973 57.275 58.200 0.080 0.000 0.847 114 S CB 1.624 64.939 63.200 0.191 0.000 1.224 114 S HN 0.548 nan 8.310 nan 0.000 0.537 115 K N 0.428 120.825 120.400 -0.006 0.000 2.557 115 K HA 0.415 4.735 4.320 -0.000 0.000 0.261 115 K C -1.719 174.631 176.600 -0.416 0.000 0.932 115 K CA -0.501 55.689 56.287 -0.161 0.000 0.829 115 K CB 1.789 34.200 32.500 -0.149 0.000 1.358 115 K HN 0.622 nan 8.250 nan 0.000 0.430 116 R N 5.404 125.609 120.500 -0.492 0.000 2.221 116 R HA 0.488 4.827 4.340 -0.000 0.000 0.327 116 R C -1.168 174.976 176.300 -0.261 0.000 1.033 116 R CA -0.173 55.616 56.100 -0.517 0.000 0.887 116 R CB 0.140 30.290 30.300 -0.249 0.000 1.057 116 R HN 0.865 nan 8.270 nan 0.000 0.455 117 M N 3.216 122.650 119.600 -0.278 0.000 2.274 117 M HA 0.407 4.886 4.480 -0.000 0.000 0.272 117 M C -2.862 173.167 176.300 -0.452 0.000 1.053 117 M CA -2.083 53.008 55.300 -0.348 0.000 0.978 117 M CB 2.269 34.681 32.600 -0.313 0.000 1.836 117 M HN 0.194 nan 8.290 nan 0.000 0.484 118 P HA 0.256 nan 4.420 nan 0.000 0.267 118 P C -0.868 176.187 177.300 -0.408 0.000 1.201 118 P CA 0.006 62.681 63.100 -0.708 0.000 0.775 118 P CB 0.432 31.742 31.700 -0.651 0.000 0.854 119 I N -2.431 117.939 120.570 -0.334 0.000 3.174 119 I HA 0.783 4.953 4.170 -0.000 0.000 0.313 119 I C -1.043 174.875 176.117 -0.331 0.000 1.155 119 I CA -0.672 60.483 61.300 -0.240 0.000 0.977 119 I CB 2.692 40.616 38.000 -0.127 0.000 1.248 119 I HN 0.175 nan 8.210 nan 0.000 0.453 120 T N 0.812 115.173 114.554 -0.321 0.000 2.816 120 T HA 0.434 4.784 4.350 -0.000 0.000 0.299 120 T C -0.735 173.771 174.700 -0.323 0.000 1.230 120 T CA -0.205 61.654 62.100 -0.402 0.000 1.007 120 T CB 1.304 70.046 68.868 -0.209 0.000 1.289 120 T HN 0.589 nan 8.240 nan 0.000 0.508 121 Y N -0.612 119.698 120.300 0.017 0.000 2.467 121 Y HA 0.292 4.841 4.550 -0.001 0.000 0.250 121 Y C 0.838 176.780 175.900 0.070 0.000 1.155 121 Y CA -0.806 57.347 58.100 0.088 0.000 1.249 121 Y CB 0.352 38.865 38.460 0.088 0.000 1.146 121 Y HN 0.473 nan 8.280 nan 0.000 0.524 122 D N 1.895 122.341 120.400 0.077 0.000 2.348 122 D HA -0.014 4.626 4.640 -0.000 0.000 0.259 122 D C -0.522 175.638 176.300 -0.232 0.000 1.296 122 D CA 0.346 54.314 54.000 -0.054 0.000 0.931 122 D CB -0.150 40.596 40.800 -0.089 0.000 1.067 122 D HN 0.361 nan 8.370 nan 0.000 0.503 123 N N 2.359 120.795 118.700 -0.440 0.000 2.483 123 N HA 0.477 5.217 4.740 -0.000 0.000 0.267 123 N C 0.301 175.423 175.510 -0.646 0.000 0.998 123 N CA -0.384 52.242 53.050 -0.707 0.000 0.918 123 N CB 0.853 38.553 38.487 -1.313 0.000 1.215 123 N HN 0.460 nan 8.380 nan 0.000 0.500 124 G N 2.049 110.475 108.800 -0.623 0.000 2.508 124 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 124 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 124 G C -1.196 173.174 174.900 -0.883 0.000 1.287 124 G CA -0.513 44.209 45.100 -0.631 0.000 0.916 124 G HN 0.499 nan 8.290 nan 0.000 0.574 125 F N -0.824 119.117 119.950 -0.016 0.000 2.605 125 F HA 0.588 5.115 4.527 -0.000 0.000 0.320 125 F C -0.353 175.291 175.800 -0.260 0.000 1.159 125 F CA -1.003 56.921 58.000 -0.128 0.000 0.999 125 F CB 1.957 40.786 39.000 -0.285 0.000 1.258 125 F HN 0.383 nan 8.300 nan 0.000 0.464 126 L N 3.924 125.099 121.223 -0.080 0.000 2.272 126 L HA 0.450 4.790 4.340 -0.000 0.000 0.289 126 L C -0.959 175.796 176.870 -0.191 0.000 1.032 126 L CA -0.610 54.134 54.840 -0.161 0.000 0.810 126 L CB 0.590 42.542 42.059 -0.178 0.000 1.205 126 L HN 0.419 nan 8.230 nan 0.000 0.422 127 F N 4.491 124.456 119.950 0.026 0.000 2.382 127 F HA 0.440 4.967 4.527 -0.000 0.000 0.361 127 F C 0.555 176.334 175.800 -0.035 0.000 1.109 127 F CA -1.039 56.945 58.000 -0.027 0.000 1.031 127 F CB 0.897 39.960 39.000 0.105 0.000 1.234 127 F HN 0.230 nan 8.300 nan 0.000 0.445 128 I N 3.231 123.872 120.570 0.119 0.000 2.281 128 I HA 0.158 4.328 4.170 -0.000 0.000 0.293 128 I C 0.264 176.442 176.117 0.102 0.000 1.085 128 I CA -0.251 61.065 61.300 0.025 0.000 1.257 128 I CB 0.289 38.246 38.000 -0.072 0.000 1.430 128 I HN 0.590 nan 8.210 nan 0.000 0.489 129 H N 5.617 124.664 119.070 -0.038 0.000 2.882 129 H HA 0.156 4.712 4.556 -0.001 0.000 0.258 129 H C 0.333 175.780 175.328 0.197 0.000 1.579 129 H CA -0.478 55.613 56.048 0.071 0.000 1.340 129 H CB 0.586 30.348 29.762 -0.001 0.000 1.645 129 H HN 0.650 nan 8.280 nan 0.000 0.541 130 T N 1.828 116.570 114.554 0.314 0.000 2.918 130 T HA -0.082 4.268 4.350 -0.000 0.000 0.302 130 T C 1.548 176.420 174.700 0.288 0.000 1.045 130 T CA -0.245 61.949 62.100 0.157 0.000 1.114 130 T CB 0.846 69.737 68.868 0.038 0.000 0.965 130 T HN 0.822 nan 8.240 nan 0.000 0.540 131 D N 3.243 123.652 120.400 0.014 0.000 2.084 131 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 131 D C 0.753 177.142 176.300 0.148 0.000 0.985 131 D CA 1.353 55.374 54.000 0.036 0.000 0.826 131 D CB -0.022 40.481 40.800 -0.495 0.000 0.978 131 D HN 0.774 nan 8.370 nan 0.000 0.456 132 K N -0.789 119.619 120.400 0.013 0.000 2.409 132 K HA 0.466 4.786 4.320 -0.000 0.000 0.252 132 K C -2.717 173.753 176.600 -0.216 0.000 1.036 132 K CA -1.502 54.679 56.287 -0.176 0.000 0.871 132 K CB 2.767 35.053 32.500 -0.357 0.000 1.374 132 K HN -0.213 nan 8.250 nan 0.000 0.459 133 P HA 0.225 nan 4.420 nan 0.000 0.290 133 P C -0.874 176.370 177.300 -0.094 0.000 1.519 133 P CA -0.210 62.848 63.100 -0.069 0.000 1.189 133 P CB 0.716 32.358 31.700 -0.096 0.000 1.569 134 V N 0.544 120.212 119.914 -0.409 0.000 2.777 134 V HA 0.400 4.519 4.120 -0.000 0.000 0.306 134 V C -1.263 174.549 176.094 -0.471 0.000 1.112 134 V CA -0.576 61.585 62.300 -0.232 0.000 0.917 134 V CB 2.172 33.902 31.823 -0.156 0.000 1.018 134 V HN -0.068 nan 8.190 nan 0.000 0.426 135 Y N 1.473 121.854 120.300 0.135 0.000 2.570 135 Y HA 0.784 5.334 4.550 -0.000 0.000 0.345 135 Y C 0.557 176.540 175.900 0.138 0.000 1.014 135 Y CA -0.876 57.289 58.100 0.107 0.000 1.063 135 Y CB 2.512 41.032 38.460 0.100 0.000 1.272 135 Y HN 0.625 nan 8.280 nan 0.000 0.477 136 T N -0.457 114.265 114.554 0.281 0.000 2.887 136 T HA 0.438 4.788 4.350 -0.000 0.000 0.288 136 T C -3.069 171.777 174.700 0.242 0.000 1.021 136 T CA -2.746 59.516 62.100 0.269 0.000 1.000 136 T CB 1.608 70.619 68.868 0.238 0.000 1.034 136 T HN 0.163 nan 8.240 nan 0.000 0.467 137 P HA -0.016 nan 4.420 nan 0.000 0.258 137 P C 0.260 177.627 177.300 0.112 0.000 1.136 137 P CA 1.163 64.370 63.100 0.178 0.000 0.761 137 P CB -0.013 31.827 31.700 0.233 0.000 0.724 138 D N -0.364 120.058 120.400 0.037 0.000 2.802 138 D HA -0.123 4.516 4.640 -0.000 0.000 0.191 138 D C 0.176 176.481 176.300 0.009 0.000 0.962 138 D CA 0.791 54.794 54.000 0.004 0.000 1.004 138 D CB -0.957 39.860 40.800 0.028 0.000 1.055 138 D HN 0.532 nan 8.370 nan 0.000 0.451 139 Q N 0.300 120.133 119.800 0.054 0.000 2.492 139 Q HA 0.404 4.744 4.340 -0.000 0.000 0.238 139 Q C -0.012 175.965 176.000 -0.039 0.000 1.045 139 Q CA 0.430 56.278 55.803 0.076 0.000 0.934 139 Q CB 0.732 29.596 28.738 0.210 0.000 1.276 139 Q HN -0.059 nan 8.270 nan 0.000 0.521 140 S N 0.751 116.421 115.700 -0.051 0.000 2.474 140 S HA 0.238 4.708 4.470 -0.000 0.000 0.321 140 S C -0.491 173.980 174.600 -0.215 0.000 1.080 140 S CA -0.615 57.492 58.200 -0.156 0.000 1.106 140 S CB 0.957 64.079 63.200 -0.129 0.000 0.984 140 S HN 0.334 nan 8.310 nan 0.000 0.464 141 V N 5.993 125.667 119.914 -0.400 0.000 2.458 141 V HA 0.055 4.175 4.120 -0.000 0.000 0.287 141 V C 0.781 176.650 176.094 -0.375 0.000 1.009 141 V CA 0.208 62.153 62.300 -0.592 0.000 1.091 141 V CB -0.273 31.060 31.823 -0.817 0.000 0.960 141 V HN 0.668 nan 8.190 nan 0.000 0.476 142 K N 3.596 123.725 120.400 -0.451 0.000 2.270 142 K HA 0.589 4.908 4.320 -0.000 0.000 0.276 142 K C -0.404 175.894 176.600 -0.503 0.000 1.023 142 K CA -0.154 55.694 56.287 -0.730 0.000 0.955 142 K CB 1.770 33.317 32.500 -1.588 0.000 0.975 142 K HN 0.555 nan 8.250 nan 0.000 0.471 143 V N 2.618 122.466 119.914 -0.109 0.000 3.048 143 V HA 0.676 4.796 4.120 -0.000 0.000 0.303 143 V C -1.717 174.635 176.094 0.430 0.000 1.214 143 V CA -0.717 61.691 62.300 0.180 0.000 0.984 143 V CB 2.076 33.890 31.823 -0.015 0.000 1.054 143 V HN 1.015 nan 8.190 nan 0.000 0.430 144 R N 3.397 124.068 120.500 0.285 0.000 2.795 144 R HA 0.928 5.267 4.340 -0.000 0.000 0.268 144 R C -2.092 174.178 176.300 -0.050 0.000 1.041 144 R CA -0.934 55.238 56.100 0.119 0.000 0.927 144 R CB 2.245 32.451 30.300 -0.156 0.000 1.235 144 R HN 0.566 nan 8.270 nan 0.000 0.463 145 V N 1.619 121.482 119.914 -0.085 0.000 2.577 145 V HA 0.390 4.510 4.120 -0.000 0.000 0.303 145 V C -1.542 174.441 176.094 -0.186 0.000 1.042 145 V CA -0.742 61.508 62.300 -0.084 0.000 0.872 145 V CB 1.559 33.488 31.823 0.176 0.000 0.998 145 V HN 0.570 nan 8.190 nan 0.000 0.423 146 Y N 2.871 123.290 120.300 0.198 0.000 2.350 146 Y HA 0.607 5.157 4.550 -0.001 0.000 0.340 146 Y C 0.731 176.758 175.900 0.212 0.000 1.006 146 Y CA -0.683 57.543 58.100 0.210 0.000 1.166 146 Y CB 1.639 40.254 38.460 0.259 0.000 1.168 146 Y HN 0.626 nan 8.280 nan 0.000 0.502 147 S N 4.119 119.994 115.700 0.293 0.000 2.532 147 S HA 0.853 5.322 4.470 -0.000 0.000 0.299 147 S C -1.443 173.305 174.600 0.247 0.000 1.105 147 S CA -0.658 57.672 58.200 0.218 0.000 1.018 147 S CB 1.244 64.563 63.200 0.198 0.000 1.021 147 S HN 0.380 nan 8.310 nan 0.000 0.483 148 L N 3.262 124.631 121.223 0.243 0.000 2.333 148 L HA 0.647 4.987 4.340 -0.000 0.000 0.263 148 L C -0.178 176.799 176.870 0.178 0.000 1.014 148 L CA -0.545 54.441 54.840 0.244 0.000 0.820 148 L CB 1.970 44.222 42.059 0.321 0.000 1.352 148 L HN 0.990 nan 8.230 nan 0.000 0.421 149 N N -0.063 118.690 118.700 0.088 0.000 2.477 149 N HA 0.135 4.875 4.740 -0.000 0.000 0.284 149 N C 0.421 175.908 175.510 -0.039 0.000 1.182 149 N CA -0.302 52.705 53.050 -0.071 0.000 0.949 149 N CB 0.727 39.158 38.487 -0.094 0.000 1.204 149 N HN 0.674 nan 8.380 nan 0.000 0.526 150 D N -0.821 119.477 120.400 -0.171 0.000 2.664 150 D HA -0.305 4.334 4.640 -0.000 0.000 0.195 150 D C -0.039 176.289 176.300 0.046 0.000 1.063 150 D CA 1.726 55.667 54.000 -0.099 0.000 0.935 150 D CB -0.223 40.504 40.800 -0.122 0.000 0.877 150 D HN 0.584 nan 8.370 nan 0.000 0.464 151 D N -0.607 119.826 120.400 0.054 0.000 2.424 151 D HA 0.071 4.711 4.640 -0.000 0.000 0.220 151 D C 0.649 177.019 176.300 0.118 0.000 1.150 151 D CA -0.450 53.597 54.000 0.078 0.000 0.831 151 D CB 0.032 40.861 40.800 0.048 0.000 0.981 151 D HN -0.002 nan 8.370 nan 0.000 0.500 152 L N -0.395 120.936 121.223 0.180 0.000 3.781 152 L HA -0.310 4.030 4.340 -0.000 0.000 0.426 152 L C 0.229 177.184 176.870 0.141 0.000 1.197 152 L CA 1.331 56.287 54.840 0.194 0.000 0.907 152 L CB -2.290 39.869 42.059 0.166 0.000 1.812 152 L HN 0.199 nan 8.230 nan 0.000 0.956 153 K N -0.823 119.652 120.400 0.124 0.000 2.295 153 K HA 0.457 4.777 4.320 -0.000 0.000 0.239 153 K C -1.255 175.417 176.600 0.121 0.000 0.991 153 K CA -1.837 54.517 56.287 0.111 0.000 0.845 153 K CB 1.596 34.149 32.500 0.088 0.000 1.197 153 K HN -0.318 nan 8.250 nan 0.000 0.441 154 P HA -0.367 nan 4.420 nan 0.000 0.229 154 P C -0.081 177.294 177.300 0.126 0.000 1.147 154 P CA 2.675 65.856 63.100 0.135 0.000 0.949 154 P CB -0.024 31.753 31.700 0.128 0.000 0.786 155 A N -4.025 118.852 122.820 0.095 0.000 2.996 155 A HA -0.260 4.060 4.320 -0.000 0.000 0.257 155 A C 0.202 177.833 177.584 0.078 0.000 1.394 155 A CA 0.828 52.909 52.037 0.073 0.000 0.820 155 A CB -2.683 16.376 19.000 0.098 0.000 1.054 155 A HN 0.326 nan 8.150 nan 0.000 0.619 156 K N -0.475 119.963 120.400 0.064 0.000 2.550 156 K HA 0.323 4.643 4.320 -0.000 0.000 0.280 156 K C 0.678 177.313 176.600 0.058 0.000 0.987 156 K CA 0.952 57.271 56.287 0.054 0.000 1.048 156 K CB 0.156 32.661 32.500 0.009 0.000 0.879 156 K HN 0.677 nan 8.250 nan 0.000 0.491 157 R N 1.342 121.902 120.500 0.099 0.000 2.780 157 R HA 0.144 4.483 4.340 -0.000 0.000 0.280 157 R C -1.290 175.105 176.300 0.160 0.000 1.016 157 R CA -0.954 55.221 56.100 0.125 0.000 0.854 157 R CB 1.261 31.651 30.300 0.150 0.000 1.293 157 R HN 0.536 nan 8.270 nan 0.000 0.483 158 E N 1.014 121.310 120.200 0.160 0.000 2.156 158 E HA 0.342 4.692 4.350 -0.000 0.000 0.279 158 E C -0.877 175.847 176.600 0.207 0.000 0.965 158 E CA -0.344 56.136 56.400 0.134 0.000 0.789 158 E CB 2.085 31.827 29.700 0.070 0.000 1.098 158 E HN 0.316 nan 8.360 nan 0.000 0.397 159 T N 1.318 115.964 114.554 0.154 0.000 2.940 159 T HA 0.477 4.826 4.350 -0.000 0.000 0.288 159 T C -0.726 174.078 174.700 0.173 0.000 1.033 159 T CA -0.606 61.564 62.100 0.116 0.000 1.033 159 T CB 1.761 70.650 68.868 0.035 0.000 1.079 159 T HN 0.124 nan 8.240 nan 0.000 0.496 160 V N 3.233 123.207 119.914 0.100 0.000 2.567 160 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 160 V C -1.145 174.935 176.094 -0.023 0.000 1.047 160 V CA -0.848 61.514 62.300 0.104 0.000 0.880 160 V CB 1.258 33.127 31.823 0.076 0.000 1.009 160 V HN 0.710 nan 8.190 nan 0.000 0.429 161 L N 3.389 124.543 121.223 -0.114 0.000 2.376 161 L HA 1.004 5.344 4.340 -0.000 0.000 0.267 161 L C 0.271 177.051 176.870 -0.149 0.000 1.035 161 L CA -0.470 54.205 54.840 -0.275 0.000 0.800 161 L CB 1.444 43.134 42.059 -0.615 0.000 1.290 161 L HN 0.624 nan 8.230 nan 0.000 0.462 162 T N -0.370 114.064 114.554 -0.201 0.000 3.505 162 T HA 0.446 4.796 4.350 -0.000 0.000 0.308 162 T C -0.895 173.776 174.700 -0.048 0.000 0.767 162 T CA -0.409 61.679 62.100 -0.020 0.000 1.194 162 T CB -0.705 68.151 68.868 -0.020 0.000 0.997 162 T HN 0.294 nan 8.240 nan 0.000 0.504 163 F N 3.655 123.512 119.950 -0.154 0.000 2.629 163 F HA 0.387 4.914 4.527 -0.001 0.000 0.377 163 F C 0.947 176.695 175.800 -0.087 0.000 1.101 163 F CA -0.417 57.499 58.000 -0.141 0.000 1.301 163 F CB 0.292 39.103 39.000 -0.316 0.000 1.062 163 F HN 0.430 nan 8.300 nan 0.000 0.583 164 I N 3.327 123.915 120.570 0.029 0.000 2.468 164 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 164 I C -0.521 175.339 176.117 -0.427 0.000 1.038 164 I CA -1.194 60.017 61.300 -0.148 0.000 1.083 164 I CB 1.433 39.339 38.000 -0.158 0.000 1.223 164 I HN 0.534 nan 8.210 nan 0.000 0.443 165 D N 7.503 127.527 120.400 -0.628 0.000 2.364 165 D HA 0.021 4.661 4.640 -0.000 0.000 0.236 165 D C -2.064 173.733 176.300 -0.837 0.000 1.221 165 D CA -1.675 51.610 54.000 -1.191 0.000 0.891 165 D CB 0.405 40.709 40.800 -0.827 0.000 1.190 165 D HN 0.201 nan 8.370 nan 0.000 0.449 166 P HA -0.037 nan 4.420 nan 0.000 0.242 166 P C 0.244 177.369 177.300 -0.291 0.000 1.198 166 P CA 0.942 63.758 63.100 -0.473 0.000 0.756 166 P CB 0.066 31.566 31.700 -0.334 0.000 0.911 167 E N -2.256 117.761 120.200 -0.304 0.000 2.541 167 E HA 0.243 4.593 4.350 -0.000 0.000 0.219 167 E C 0.966 177.453 176.600 -0.188 0.000 0.922 167 E CA 0.310 56.584 56.400 -0.211 0.000 1.095 167 E CB 0.364 29.939 29.700 -0.209 0.000 1.112 167 E HN 0.111 nan 8.360 nan 0.000 0.516 168 G N 2.007 110.676 108.800 -0.217 0.000 2.131 168 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.201 168 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.201 168 G C -0.004 174.813 174.900 -0.140 0.000 1.000 168 G CA 0.407 45.410 45.100 -0.161 0.000 0.680 168 G HN 0.175 nan 8.290 nan 0.000 0.514 169 S N -0.240 115.357 115.700 -0.171 0.000 2.525 169 S HA 0.599 5.069 4.470 -0.000 0.000 0.290 169 S C 0.720 175.259 174.600 -0.102 0.000 1.152 169 S CA -0.417 57.711 58.200 -0.120 0.000 1.072 169 S CB 1.026 64.136 63.200 -0.150 0.000 1.027 169 S HN 0.399 nan 8.310 nan 0.000 0.500 170 E N 1.326 121.504 120.200 -0.036 0.000 2.455 170 E HA 0.125 4.474 4.350 -0.000 0.000 0.259 170 E C 0.085 176.697 176.600 0.020 0.000 1.245 170 E CA -0.091 56.308 56.400 -0.002 0.000 1.013 170 E CB 0.427 30.143 29.700 0.027 0.000 0.978 170 E HN 0.436 nan 8.360 nan 0.000 0.479 171 V N -0.811 119.154 119.914 0.086 0.000 3.406 171 V HA 0.085 4.205 4.120 -0.000 0.000 0.266 171 V C -0.348 175.847 176.094 0.169 0.000 1.697 171 V CA -0.011 62.368 62.300 0.131 0.000 1.046 171 V CB 0.939 32.879 31.823 0.194 0.000 0.879 171 V HN 0.653 nan 8.190 nan 0.000 0.399 172 D N -1.007 119.499 120.400 0.176 0.000 2.851 172 D HA 0.652 5.292 4.640 -0.000 0.000 0.339 172 D C -1.406 174.997 176.300 0.172 0.000 1.347 172 D CA -0.258 53.837 54.000 0.159 0.000 0.888 172 D CB 2.221 43.101 40.800 0.133 0.000 1.431 172 D HN -0.006 nan 8.370 nan 0.000 0.509 173 M N 0.843 120.545 119.600 0.170 0.000 2.724 173 M HA 0.409 4.888 4.480 -0.000 0.000 0.280 173 M C -2.296 174.100 176.300 0.160 0.000 1.090 173 M CA -0.527 54.865 55.300 0.154 0.000 0.838 173 M CB 1.551 34.208 32.600 0.095 0.000 1.729 173 M HN 0.272 nan 8.290 nan 0.000 0.530 174 V N 3.001 123.018 119.914 0.171 0.000 2.963 174 V HA 0.498 4.617 4.120 -0.000 0.000 0.272 174 V C -1.855 174.409 176.094 0.282 0.000 1.559 174 V CA -0.395 62.030 62.300 0.207 0.000 0.959 174 V CB 2.316 34.290 31.823 0.252 0.000 1.202 174 V HN 0.959 nan 8.190 nan 0.000 0.447 175 E N 4.282 124.607 120.200 0.208 0.000 2.254 175 E HA 0.867 5.216 4.350 -0.000 0.000 0.258 175 E C -0.746 175.910 176.600 0.093 0.000 1.033 175 E CA -0.783 55.731 56.400 0.191 0.000 0.893 175 E CB 2.703 32.465 29.700 0.104 0.000 1.204 175 E HN 0.730 nan 8.360 nan 0.000 0.425 176 E N -0.159 120.020 120.200 -0.035 0.000 2.396 176 E HA 0.280 4.630 4.350 -0.000 0.000 0.280 176 E C -1.719 174.794 176.600 -0.146 0.000 1.065 176 E CA -0.637 55.650 56.400 -0.187 0.000 0.831 176 E CB 1.366 30.757 29.700 -0.515 0.000 1.272 176 E HN 0.552 nan 8.360 nan 0.000 0.443 177 I N -0.429 120.070 120.570 -0.119 0.000 2.499 177 I HA 0.571 4.741 4.170 -0.000 0.000 0.296 177 I C -0.247 175.831 176.117 -0.064 0.000 0.992 177 I CA -0.115 61.149 61.300 -0.060 0.000 1.297 177 I CB 1.277 39.260 38.000 -0.029 0.000 1.410 177 I HN 0.290 nan 8.210 nan 0.000 0.507 178 D N 3.148 123.532 120.400 -0.028 0.000 2.499 178 D HA 0.164 4.804 4.640 -0.000 0.000 0.225 178 D C 0.629 176.917 176.300 -0.020 0.000 1.124 178 D CA 0.151 54.142 54.000 -0.015 0.000 0.938 178 D CB 0.029 40.853 40.800 0.040 0.000 1.014 178 D HN 0.788 nan 8.370 nan 0.000 0.517 179 H N 2.285 121.293 119.070 -0.104 0.000 2.428 179 H HA 0.039 4.595 4.556 -0.000 0.000 0.296 179 H C 1.790 177.041 175.328 -0.129 0.000 1.062 179 H CA 1.789 57.772 56.048 -0.109 0.000 1.350 179 H CB 0.569 30.243 29.762 -0.147 0.000 1.403 179 H HN 0.567 nan 8.280 nan 0.000 0.533 180 I N -7.096 113.439 120.570 -0.058 0.000 4.922 180 I HA 0.464 4.633 4.170 -0.000 0.000 0.331 180 I C 1.410 177.504 176.117 -0.038 0.000 1.260 180 I CA 0.580 61.798 61.300 -0.138 0.000 1.366 180 I CB 1.575 39.171 38.000 -0.673 0.000 1.386 180 I HN 0.224 nan 8.210 nan 0.000 0.483 181 G N 2.577 111.368 108.800 -0.016 0.000 2.485 181 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.181 181 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.181 181 G C 0.124 175.094 174.900 0.117 0.000 0.999 181 G CA -0.038 45.114 45.100 0.087 0.000 0.721 181 G HN 0.269 nan 8.290 nan 0.000 0.486 182 I N 2.944 123.527 120.570 0.022 0.000 2.966 182 I HA 0.362 4.532 4.170 -0.000 0.000 0.323 182 I C 0.708 176.766 176.117 -0.098 0.000 1.253 182 I CA -0.701 60.616 61.300 0.028 0.000 1.089 182 I CB 0.337 38.350 38.000 0.022 0.000 1.812 182 I HN 0.058 nan 8.210 nan 0.000 0.534 183 I N 2.344 122.860 120.570 -0.090 0.000 3.015 183 I HA -0.149 4.020 4.170 -0.000 0.000 0.309 183 I C 0.271 176.250 176.117 -0.231 0.000 1.229 183 I CA 0.983 62.166 61.300 -0.196 0.000 1.430 183 I CB 0.093 37.982 38.000 -0.186 0.000 1.347 183 I HN 0.441 nan 8.210 nan 0.000 0.544 184 S N 7.385 122.919 115.700 -0.278 0.000 2.532 184 S HA 0.481 4.951 4.470 -0.000 0.000 0.318 184 S C -0.295 174.215 174.600 -0.150 0.000 1.083 184 S CA -0.678 57.437 58.200 -0.141 0.000 1.131 184 S CB 0.260 63.399 63.200 -0.102 0.000 0.973 184 S HN 0.262 nan 8.310 nan 0.000 0.468 185 F N 3.094 123.066 119.950 0.037 0.000 2.368 185 F HA 0.511 5.038 4.527 -0.001 0.000 0.308 185 F C -1.863 173.981 175.800 0.072 0.000 1.198 185 F CA -1.919 56.113 58.000 0.054 0.000 1.130 185 F CB 0.207 39.245 39.000 0.062 0.000 1.300 185 F HN 0.259 nan 8.300 nan 0.000 0.537 186 P HA 0.234 nan 4.420 nan 0.000 0.292 186 P C -1.505 175.877 177.300 0.136 0.000 1.283 186 P CA -0.663 62.533 63.100 0.159 0.000 0.835 186 P CB 0.774 32.546 31.700 0.120 0.000 1.017 187 D N 1.178 121.606 120.400 0.046 0.000 2.515 187 D HA -0.021 4.619 4.640 -0.000 0.000 0.232 187 D C -0.651 175.640 176.300 -0.015 0.000 1.157 187 D CA 0.761 54.747 54.000 -0.024 0.000 0.871 187 D CB -0.127 40.615 40.800 -0.096 0.000 1.200 187 D HN 0.292 nan 8.370 nan 0.000 0.466 188 F N 1.909 121.709 119.950 -0.250 0.000 2.366 188 F HA 0.230 4.757 4.527 -0.001 0.000 0.366 188 F C -0.031 175.556 175.800 -0.355 0.000 1.096 188 F CA -1.330 56.445 58.000 -0.376 0.000 1.060 188 F CB 0.791 39.446 39.000 -0.575 0.000 1.282 188 F HN -0.012 nan 8.300 nan 0.000 0.450 189 K N 7.600 127.612 120.400 -0.645 0.000 2.378 189 K HA 0.235 4.555 4.320 -0.000 0.000 0.288 189 K C -0.438 175.756 176.600 -0.676 0.000 1.057 189 K CA -0.256 55.726 56.287 -0.508 0.000 0.971 189 K CB 0.101 32.398 32.500 -0.339 0.000 0.975 189 K HN 0.586 nan 8.250 nan 0.000 0.475 190 I N 6.913 127.209 120.570 -0.456 0.000 2.668 190 I HA 0.051 4.220 4.170 -0.000 0.000 0.285 190 I C -1.799 174.175 176.117 -0.239 0.000 1.168 190 I CA -1.817 59.266 61.300 -0.361 0.000 1.424 190 I CB 0.022 37.909 38.000 -0.188 0.000 1.377 190 I HN 0.554 nan 8.210 nan 0.000 0.560 191 P HA -0.018 nan 4.420 nan 0.000 0.267 191 P C 0.809 178.081 177.300 -0.047 0.000 1.195 191 P CA 0.336 63.377 63.100 -0.098 0.000 0.773 191 P CB 0.460 32.140 31.700 -0.033 0.000 0.837 192 S N 0.657 116.351 115.700 -0.010 0.000 2.374 192 S HA -0.191 4.279 4.470 -0.000 0.000 0.227 192 S C 1.007 175.634 174.600 0.046 0.000 1.037 192 S CA 1.772 59.988 58.200 0.026 0.000 1.024 192 S CB -0.651 62.577 63.200 0.046 0.000 0.861 192 S HN 0.663 nan 8.310 nan 0.000 0.456 193 N N 0.923 119.641 118.700 0.030 0.000 2.707 193 N HA 0.348 5.088 4.740 -0.000 0.000 0.249 193 N C -3.422 171.988 175.510 -0.166 0.000 1.299 193 N CA -1.996 51.045 53.050 -0.015 0.000 0.769 193 N CB 1.042 39.568 38.487 0.064 0.000 1.236 193 N HN -0.040 nan 8.380 nan 0.000 0.524 194 P HA 0.317 nan 4.420 nan 0.000 0.279 194 P C -0.635 176.396 177.300 -0.450 0.000 1.282 194 P CA -0.471 62.460 63.100 -0.282 0.000 0.788 194 P CB 0.695 32.276 31.700 -0.198 0.000 1.139 195 R N 0.267 120.694 120.500 -0.121 0.000 2.248 195 R HA 0.249 4.588 4.340 -0.000 0.000 0.337 195 R C -0.719 175.606 176.300 0.042 0.000 1.106 195 R CA -0.056 55.987 56.100 -0.096 0.000 0.959 195 R CB -1.169 29.076 30.300 -0.092 0.000 1.075 195 R HN 0.357 nan 8.270 nan 0.000 0.480 196 Y N 2.473 122.850 120.300 0.129 0.000 2.359 196 Y HA 0.492 5.042 4.550 -0.000 0.000 0.334 196 Y C 1.366 177.343 175.900 0.129 0.000 1.058 196 Y CA 1.076 59.275 58.100 0.165 0.000 1.244 196 Y CB 1.461 39.982 38.460 0.101 0.000 1.187 196 Y HN 0.812 nan 8.280 nan 0.000 0.510 197 G N 1.678 110.696 108.800 0.364 0.000 2.334 197 G HA2 0.065 4.025 3.960 -0.000 0.000 0.249 197 G HA3 0.065 4.025 3.960 -0.000 0.000 0.249 197 G C -1.395 173.632 174.900 0.211 0.000 1.327 197 G CA -1.202 44.022 45.100 0.207 0.000 0.979 197 G HN 0.332 nan 8.290 nan 0.000 0.471 198 M N 1.349 120.995 119.600 0.076 0.000 2.341 198 M HA 0.537 5.017 4.480 -0.000 0.000 0.336 198 M C -0.696 175.589 176.300 -0.024 0.000 1.489 198 M CA -1.524 53.821 55.300 0.076 0.000 1.278 198 M CB -1.038 31.598 32.600 0.059 0.000 1.657 198 M HN 0.376 nan 8.290 nan 0.000 0.455 199 W N 3.423 124.540 121.300 -0.304 0.000 2.129 199 W HA 0.506 5.166 4.660 -0.000 0.000 0.349 199 W C 0.140 176.496 176.519 -0.270 0.000 1.279 199 W CA -0.003 57.067 57.345 -0.459 0.000 1.306 199 W CB 0.667 29.374 29.460 -1.254 0.000 1.140 199 W HN 0.442 nan 8.180 nan 0.000 0.613 200 T N 2.800 117.305 114.554 -0.081 0.000 2.991 200 T HA 0.474 4.823 4.350 -0.000 0.000 0.303 200 T C -0.809 173.763 174.700 -0.214 0.000 1.015 200 T CA -0.673 61.260 62.100 -0.279 0.000 1.007 200 T CB 0.795 69.454 68.868 -0.350 0.000 1.034 200 T HN 0.105 nan 8.240 nan 0.000 0.446 201 I N 3.492 123.890 120.570 -0.287 0.000 2.354 201 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 201 I C 0.284 176.175 176.117 -0.378 0.000 1.007 201 I CA -0.774 60.278 61.300 -0.413 0.000 1.167 201 I CB 1.290 38.953 38.000 -0.563 0.000 1.320 201 I HN 0.367 nan 8.210 nan 0.000 0.458 202 K N 4.639 124.844 120.400 -0.324 0.000 2.090 202 K HA 0.843 5.162 4.320 -0.000 0.000 0.249 202 K C -0.500 175.950 176.600 -0.250 0.000 0.995 202 K CA -0.636 55.505 56.287 -0.242 0.000 0.914 202 K CB 2.049 34.447 32.500 -0.170 0.000 1.057 202 K HN 0.670 nan 8.250 nan 0.000 0.462 203 A N 2.016 124.719 122.820 -0.194 0.000 2.459 203 A HA 0.444 4.764 4.320 -0.000 0.000 0.296 203 A C -1.457 176.030 177.584 -0.161 0.000 1.039 203 A CA -0.961 50.957 52.037 -0.198 0.000 0.698 203 A CB 1.051 19.908 19.000 -0.237 0.000 1.261 203 A HN 0.749 nan 8.150 nan 0.000 0.405 204 K N 1.273 121.592 120.400 -0.135 0.000 2.443 204 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 204 K C -1.533 175.017 176.600 -0.082 0.000 0.972 204 K CA -0.743 55.489 56.287 -0.092 0.000 0.833 204 K CB 1.594 34.085 32.500 -0.015 0.000 1.317 204 K HN 0.516 nan 8.250 nan 0.000 0.441 205 Y N 2.023 122.365 120.300 0.070 0.000 2.402 205 Y HA 0.005 4.555 4.550 -0.000 0.000 0.333 205 Y C 1.825 177.762 175.900 0.062 0.000 1.076 205 Y CA 0.097 58.255 58.100 0.097 0.000 1.299 205 Y CB 1.552 40.121 38.460 0.183 0.000 1.197 205 Y HN 0.793 nan 8.280 nan 0.000 0.517 206 K N 1.926 122.458 120.400 0.221 0.000 1.987 206 K HA -0.186 4.134 4.320 -0.000 0.000 0.216 206 K C 0.799 177.446 176.600 0.078 0.000 1.051 206 K CA 1.436 57.792 56.287 0.115 0.000 0.942 206 K CB 0.033 32.589 32.500 0.093 0.000 0.722 206 K HN 0.669 nan 8.250 nan 0.000 0.444 207 E N 1.403 121.641 120.200 0.063 0.000 3.368 207 E HA -0.063 4.287 4.350 -0.000 0.000 0.320 207 E C -0.103 176.452 176.600 -0.075 0.000 1.507 207 E CA 0.501 56.879 56.400 -0.036 0.000 1.600 207 E CB -0.161 29.483 29.700 -0.093 0.000 1.117 207 E HN 0.435 nan 8.360 nan 0.000 0.726 208 D N -1.090 119.168 120.400 -0.237 0.000 2.361 208 D HA 0.337 4.977 4.640 -0.000 0.000 0.239 208 D C -0.294 175.826 176.300 -0.300 0.000 1.200 208 D CA 0.024 53.847 54.000 -0.295 0.000 0.915 208 D CB 0.132 40.682 40.800 -0.416 0.000 1.170 208 D HN 0.382 nan 8.370 nan 0.000 0.444 209 F N -1.441 118.493 119.950 -0.027 0.000 2.178 209 F HA -0.174 4.353 4.527 -0.000 0.000 0.443 209 F C 0.669 176.517 175.800 0.079 0.000 1.299 209 F CA -0.564 57.457 58.000 0.035 0.000 1.379 209 F CB -0.611 38.371 39.000 -0.030 0.000 3.435 209 F HN 0.447 nan 8.300 nan 0.000 0.535 210 S N 1.247 117.128 115.700 0.302 0.000 2.593 210 S HA 0.006 4.476 4.470 -0.000 0.000 0.217 210 S C 0.889 175.577 174.600 0.148 0.000 0.966 210 S CA 0.750 59.059 58.200 0.182 0.000 0.914 210 S CB -0.146 63.167 63.200 0.189 0.000 0.776 210 S HN 0.649 nan 8.310 nan 0.000 0.523 211 T N 1.658 116.319 114.554 0.177 0.000 2.933 211 T HA 0.219 4.569 4.350 -0.000 0.000 0.306 211 T C -0.069 174.673 174.700 0.069 0.000 1.045 211 T CA -0.081 62.083 62.100 0.107 0.000 1.143 211 T CB 0.645 69.584 68.868 0.119 0.000 1.003 211 T HN 0.147 nan 8.240 nan 0.000 0.540 212 T N 2.443 117.020 114.554 0.040 0.000 2.824 212 T HA 0.646 4.996 4.350 -0.000 0.000 0.282 212 T C 0.475 175.194 174.700 0.031 0.000 0.993 212 T CA -0.781 61.330 62.100 0.018 0.000 0.967 212 T CB 1.728 70.621 68.868 0.041 0.000 0.960 212 T HN 0.966 nan 8.240 nan 0.000 0.441 213 G N 1.305 110.081 108.800 -0.039 0.000 2.400 213 G HA2 0.654 4.614 3.960 -0.000 0.000 0.333 213 G HA3 0.654 4.614 3.960 -0.000 0.000 0.333 213 G C -0.845 174.022 174.900 -0.055 0.000 1.143 213 G CA -0.457 44.622 45.100 -0.034 0.000 0.914 213 G HN 0.674 nan 8.290 nan 0.000 0.480 214 T N -0.537 114.001 114.554 -0.027 0.000 2.894 214 T HA 0.761 5.111 4.350 -0.000 0.000 0.309 214 T C -0.400 174.266 174.700 -0.056 0.000 1.208 214 T CA 0.167 62.212 62.100 -0.093 0.000 1.016 214 T CB 1.901 70.736 68.868 -0.055 0.000 1.192 214 T HN 1.240 nan 8.240 nan 0.000 0.491 215 A N 1.641 124.350 122.820 -0.185 0.000 2.583 215 A HA 0.951 5.270 4.320 -0.000 0.000 0.289 215 A C -2.206 175.309 177.584 -0.114 0.000 1.151 215 A CA -0.797 51.247 52.037 0.013 0.000 0.695 215 A CB 1.260 20.260 19.000 0.001 0.000 1.290 215 A HN 0.799 nan 8.150 nan 0.000 0.419 216 Y N -1.465 118.916 120.300 0.135 0.000 2.644 216 Y HA 0.708 5.257 4.550 -0.000 0.000 0.338 216 Y C -0.528 175.597 175.900 0.377 0.000 1.119 216 Y CA -0.877 57.345 58.100 0.202 0.000 1.060 216 Y CB 2.213 40.739 38.460 0.111 0.000 1.294 216 Y HN 0.897 nan 8.280 nan 0.000 0.472 217 F N -1.353 118.787 119.950 0.316 0.000 2.654 217 F HA 0.671 5.197 4.527 -0.001 0.000 0.308 217 F C -1.536 174.457 175.800 0.322 0.000 1.108 217 F CA -1.076 57.093 58.000 0.282 0.000 0.957 217 F CB 1.984 41.169 39.000 0.307 0.000 1.309 217 F HN 0.419 nan 8.300 nan 0.000 0.446 218 E N 1.883 122.240 120.200 0.262 0.000 2.158 218 E HA 0.546 4.896 4.350 -0.000 0.000 0.271 218 E C -1.753 174.985 176.600 0.229 0.000 0.911 218 E CA -0.994 55.513 56.400 0.179 0.000 0.767 218 E CB 2.311 32.099 29.700 0.148 0.000 1.120 218 E HN 0.668 nan 8.360 nan 0.000 0.405 219 V N 5.415 125.461 119.914 0.221 0.000 2.348 219 V HA 0.253 4.373 4.120 -0.000 0.000 0.270 219 V C -0.332 175.986 176.094 0.372 0.000 1.037 219 V CA -0.189 62.274 62.300 0.270 0.000 0.872 219 V CB 0.960 32.896 31.823 0.189 0.000 1.002 219 V HN 0.617 nan 8.190 nan 0.000 0.464 220 K N 3.498 124.078 120.400 0.301 0.000 2.267 220 K HA 0.479 4.799 4.320 -0.000 0.000 0.246 220 K C -0.242 176.419 176.600 0.101 0.000 0.954 220 K CA -0.714 55.677 56.287 0.172 0.000 0.824 220 K CB 2.149 34.710 32.500 0.102 0.000 1.167 220 K HN 0.626 nan 8.250 nan 0.000 0.431 221 E N 3.038 123.062 120.200 -0.294 0.000 2.044 221 E HA 0.017 4.366 4.350 -0.000 0.000 0.282 221 E C -1.281 175.262 176.600 -0.095 0.000 1.031 221 E CA -0.384 55.778 56.400 -0.395 0.000 0.824 221 E CB 0.445 29.514 29.700 -1.051 0.000 1.076 221 E HN 0.507 nan 8.360 nan 0.000 0.395 222 Y N 4.316 124.605 120.300 -0.019 0.000 2.511 222 Y HA 0.205 4.755 4.550 -0.001 0.000 0.332 222 Y C -0.975 174.908 175.900 -0.029 0.000 1.177 222 Y CA 0.006 58.105 58.100 -0.003 0.000 1.422 222 Y CB 0.669 39.172 38.460 0.071 0.000 1.271 222 Y HN 0.225 nan 8.280 nan 0.000 0.550 223 V N 7.464 126.907 119.914 -0.784 0.000 2.709 223 V HA 0.191 4.311 4.120 -0.000 0.000 0.308 223 V C -0.539 175.137 176.094 -0.696 0.000 1.062 223 V CA -1.335 60.692 62.300 -0.455 0.000 0.901 223 V CB 1.774 33.410 31.823 -0.311 0.000 1.003 223 V HN 0.689 nan 8.190 nan 0.000 0.425 224 L N 5.907 127.015 121.223 -0.193 0.000 2.410 224 L HA 0.386 4.726 4.340 -0.000 0.000 0.273 224 L C -2.256 174.386 176.870 -0.381 0.000 1.152 224 L CA -0.835 53.918 54.840 -0.144 0.000 0.855 224 L CB 1.539 43.552 42.059 -0.077 0.000 1.129 224 L HN 0.500 nan 8.230 nan 0.000 0.463 225 P HA 0.337 nan 4.420 nan 0.000 0.290 225 P C -0.389 176.666 177.300 -0.408 0.000 1.276 225 P CA -0.351 62.554 63.100 -0.325 0.000 0.808 225 P CB 0.895 32.552 31.700 -0.072 0.000 0.966 226 H N 1.545 120.390 119.070 -0.376 0.000 2.465 226 H HA 0.215 4.770 4.556 -0.001 0.000 0.289 226 H C 0.130 175.475 175.328 0.028 0.000 1.022 226 H CA 0.830 56.603 56.048 -0.457 0.000 1.340 226 H CB 0.037 29.312 29.762 -0.811 0.000 1.437 226 H HN 0.433 nan 8.280 nan 0.000 0.539 227 F N -2.698 117.455 119.950 0.338 0.000 2.690 227 F HA 0.306 4.833 4.527 -0.000 0.000 0.311 227 F C -0.656 175.208 175.800 0.108 0.000 1.111 227 F CA -1.566 56.665 58.000 0.385 0.000 1.003 227 F CB 0.964 40.139 39.000 0.293 0.000 1.283 227 F HN -0.329 nan 8.300 nan 0.000 0.442 228 S N 2.041 117.750 115.700 0.014 0.000 2.506 228 S HA 0.409 4.879 4.470 -0.000 0.000 0.291 228 S C -0.601 174.008 174.600 0.015 0.000 1.230 228 S CA -0.243 57.870 58.200 -0.145 0.000 1.107 228 S CB -0.172 62.796 63.200 -0.386 0.000 0.942 228 S HN 0.614 nan 8.310 nan 0.000 0.502 229 V N 6.463 126.379 119.914 0.004 0.000 2.370 229 V HA 0.478 4.598 4.120 -0.000 0.000 0.279 229 V C 0.348 176.424 176.094 -0.029 0.000 1.029 229 V CA -0.441 61.881 62.300 0.036 0.000 0.870 229 V CB 1.476 33.342 31.823 0.071 0.000 0.984 229 V HN 1.001 nan 8.190 nan 0.000 0.451 230 S N 6.310 121.988 115.700 -0.036 0.000 2.593 230 S HA 0.838 5.308 4.470 -0.000 0.000 0.297 230 S C -0.635 173.942 174.600 -0.038 0.000 1.112 230 S CA -0.700 57.471 58.200 -0.048 0.000 1.043 230 S CB 2.061 65.223 63.200 -0.063 0.000 1.054 230 S HN 0.792 nan 8.310 nan 0.000 0.516 231 I N 0.824 121.371 120.570 -0.039 0.000 2.571 231 I HA 0.511 4.681 4.170 -0.000 0.000 0.286 231 I C -1.866 174.233 176.117 -0.029 0.000 1.134 231 I CA -0.471 60.810 61.300 -0.032 0.000 1.052 231 I CB 1.634 39.615 38.000 -0.033 0.000 1.237 231 I HN 0.864 nan 8.210 nan 0.000 0.435 232 E N 8.503 128.685 120.200 -0.030 0.000 2.210 232 E HA 0.573 4.922 4.350 -0.000 0.000 0.266 232 E C -2.718 173.855 176.600 -0.044 0.000 0.883 232 E CA -1.850 54.528 56.400 -0.037 0.000 0.761 232 E CB 2.167 31.834 29.700 -0.055 0.000 1.156 232 E HN 0.365 nan 8.360 nan 0.000 0.412 233 P HA 0.161 nan 4.420 nan 0.000 0.292 233 P C 0.154 177.285 177.300 -0.281 0.000 1.300 233 P CA -0.630 62.415 63.100 -0.090 0.000 0.900 233 P CB 1.537 33.299 31.700 0.102 0.000 1.139 234 E N 1.302 121.107 120.200 -0.659 0.000 2.048 234 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 234 E C -0.266 176.270 176.600 -0.105 0.000 1.021 234 E CA 1.750 57.897 56.400 -0.422 0.000 0.825 234 E CB -0.068 29.369 29.700 -0.437 0.000 0.756 234 E HN 0.539 nan 8.360 nan 0.000 0.454 235 Y N -2.948 117.102 120.300 -0.416 0.000 2.805 235 Y HA 0.301 4.851 4.550 -0.000 0.000 0.323 235 Y C 0.641 176.626 175.900 0.141 0.000 1.279 235 Y CA -1.616 56.449 58.100 -0.057 0.000 1.103 235 Y CB 0.667 39.139 38.460 0.019 0.000 1.324 235 Y HN -0.241 nan 8.280 nan 0.000 0.498 236 N N -0.115 118.839 118.700 0.423 0.000 2.412 236 N HA 0.182 4.921 4.740 -0.000 0.000 0.184 236 N C -1.118 174.581 175.510 0.315 0.000 1.101 236 N CA 0.611 53.870 53.050 0.349 0.000 0.881 236 N CB 0.230 38.933 38.487 0.360 0.000 0.969 236 N HN 0.354 nan 8.380 nan 0.000 0.459 237 F N -0.485 119.507 119.950 0.071 0.000 2.643 237 F HA 0.527 5.054 4.527 -0.001 0.000 0.314 237 F C -0.230 175.521 175.800 -0.081 0.000 1.096 237 F CA -1.381 56.580 58.000 -0.066 0.000 0.953 237 F CB 1.810 40.757 39.000 -0.088 0.000 1.345 237 F HN -0.380 nan 8.300 nan 0.000 0.468 238 I N 1.347 121.868 120.570 -0.082 0.000 2.392 238 I HA 0.708 4.878 4.170 -0.000 0.000 0.295 238 I C 0.047 176.148 176.117 -0.027 0.000 0.985 238 I CA -0.496 60.701 61.300 -0.172 0.000 1.221 238 I CB 1.461 39.092 38.000 -0.615 0.000 1.366 238 I HN 0.697 nan 8.210 nan 0.000 0.467 239 G N 3.222 111.990 108.800 -0.053 0.000 2.660 239 G HA2 0.348 4.308 3.960 -0.000 0.000 0.294 239 G HA3 0.348 4.308 3.960 -0.000 0.000 0.294 239 G C -0.045 174.761 174.900 -0.156 0.000 1.369 239 G CA -0.577 44.470 45.100 -0.087 0.000 0.912 239 G HN 0.718 nan 8.290 nan 0.000 0.479 240 Y N 0.223 120.466 120.300 -0.095 0.000 2.241 240 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 240 Y C 2.393 178.268 175.900 -0.040 0.000 1.166 240 Y CA 1.827 59.856 58.100 -0.117 0.000 1.203 240 Y CB -0.300 38.088 38.460 -0.121 0.000 0.977 240 Y HN 0.464 nan 8.280 nan 0.000 0.529 241 K N 1.290 121.038 120.400 -1.087 0.000 2.000 241 K HA -0.192 4.128 4.320 -0.000 0.000 0.218 241 K C 0.061 176.508 176.600 -0.256 0.000 1.053 241 K CA 1.944 57.778 56.287 -0.754 0.000 0.946 241 K CB -0.427 31.656 32.500 -0.696 0.000 0.723 241 K HN 0.671 nan 8.250 nan 0.000 0.446 242 N N -0.846 117.733 118.700 -0.202 0.000 2.421 242 N HA 0.294 5.034 4.740 -0.000 0.000 0.285 242 N C -0.443 175.145 175.510 0.130 0.000 1.027 242 N CA -0.271 52.761 53.050 -0.030 0.000 0.918 242 N CB 1.577 40.042 38.487 -0.035 0.000 1.152 242 N HN 0.120 nan 8.380 nan 0.000 0.485 243 F N 0.674 120.587 119.950 -0.062 0.000 3.372 243 F HA 0.106 4.633 4.527 -0.000 0.000 0.400 243 F C 0.049 175.792 175.800 -0.096 0.000 1.081 243 F CA -0.102 57.857 58.000 -0.069 0.000 0.664 243 F CB 0.193 39.182 39.000 -0.019 0.000 1.865 243 F HN 0.344 nan 8.300 nan 0.000 0.450 244 K N 1.059 121.456 120.400 -0.005 0.000 2.358 244 K HA 0.265 4.585 4.320 -0.000 0.000 0.200 244 K C -0.374 176.171 176.600 -0.091 0.000 1.030 244 K CA 0.567 56.796 56.287 -0.096 0.000 1.097 244 K CB 0.305 32.801 32.500 -0.007 0.000 0.862 244 K HN 0.425 nan 8.250 nan 0.000 0.534 245 N N -0.693 117.984 118.700 -0.039 0.000 3.043 245 N HA 0.146 4.886 4.740 -0.000 0.000 0.243 245 N C -1.701 173.909 175.510 0.166 0.000 1.347 245 N CA -0.662 52.403 53.050 0.026 0.000 0.896 245 N CB 0.749 39.255 38.487 0.033 0.000 1.501 245 N HN -0.126 nan 8.380 nan 0.000 0.504 246 F N 0.256 120.203 119.950 -0.004 0.000 3.483 246 F HA 0.268 4.794 4.527 -0.000 0.000 0.393 246 F C -0.685 175.163 175.800 0.081 0.000 1.240 246 F CA -0.420 57.603 58.000 0.038 0.000 1.320 246 F CB 1.196 40.229 39.000 0.056 0.000 1.965 246 F HN 0.658 nan 8.300 nan 0.000 0.715 247 E N 5.517 125.669 120.200 -0.081 0.000 1.939 247 E HA 0.215 4.565 4.350 -0.000 0.000 0.259 247 E C -0.257 176.283 176.600 -0.100 0.000 1.259 247 E CA 0.229 56.601 56.400 -0.046 0.000 0.971 247 E CB 0.154 29.831 29.700 -0.038 0.000 1.055 247 E HN 0.417 nan 8.360 nan 0.000 0.420 248 I N 4.302 124.878 120.570 0.010 0.000 2.322 248 I HA 0.093 4.262 4.170 -0.000 0.000 0.292 248 I C -0.044 176.082 176.117 0.015 0.000 1.060 248 I CA -0.328 60.989 61.300 0.028 0.000 1.309 248 I CB 0.826 38.916 38.000 0.150 0.000 1.415 248 I HN 0.289 nan 8.210 nan 0.000 0.492 249 T N 7.200 121.741 114.554 -0.022 0.000 2.743 249 T HA 0.516 4.866 4.350 -0.000 0.000 0.292 249 T C 0.053 174.739 174.700 -0.024 0.000 0.972 249 T CA -0.515 61.570 62.100 -0.025 0.000 0.967 249 T CB 0.986 69.826 68.868 -0.046 0.000 0.926 249 T HN 0.487 nan 8.240 nan 0.000 0.459 250 I N -0.063 120.496 120.570 -0.017 0.000 2.460 250 I HA 0.690 4.859 4.170 -0.000 0.000 0.298 250 I C -0.817 175.279 176.117 -0.034 0.000 0.989 250 I CA -1.008 60.280 61.300 -0.021 0.000 1.173 250 I CB 1.561 39.557 38.000 -0.008 0.000 1.338 250 I HN 0.400 nan 8.210 nan 0.000 0.456 251 K N 5.935 126.309 120.400 -0.043 0.000 2.613 251 K HA 0.688 5.008 4.320 -0.000 0.000 0.248 251 K C -1.125 175.430 176.600 -0.075 0.000 0.959 251 K CA -0.583 55.665 56.287 -0.065 0.000 0.855 251 K CB 2.241 34.698 32.500 -0.072 0.000 1.143 251 K HN 0.821 nan 8.250 nan 0.000 0.437 252 A N 3.519 126.276 122.820 -0.105 0.000 2.324 252 A HA 0.812 5.132 4.320 -0.000 0.000 0.330 252 A C -0.540 176.873 177.584 -0.285 0.000 1.165 252 A CA -0.748 51.209 52.037 -0.134 0.000 0.813 252 A CB 0.632 19.541 19.000 -0.152 0.000 1.197 252 A HN 0.928 nan 8.150 nan 0.000 0.484 253 R N 1.068 121.380 120.500 -0.312 0.000 2.633 253 R HA 0.439 4.779 4.340 -0.000 0.000 0.255 253 R C -1.873 174.205 176.300 -0.369 0.000 1.106 253 R CA -0.747 55.087 56.100 -0.442 0.000 0.959 253 R CB 0.225 30.360 30.300 -0.274 0.000 1.259 253 R HN 0.561 nan 8.270 nan 0.000 0.453 254 Y N 1.365 121.510 120.300 -0.259 0.000 2.299 254 Y HA 0.235 4.784 4.550 -0.001 0.000 0.335 254 Y C 1.045 176.830 175.900 -0.192 0.000 1.287 254 Y CA -0.690 57.254 58.100 -0.260 0.000 1.424 254 Y CB 0.564 38.461 38.460 -0.938 0.000 1.326 254 Y HN 0.509 nan 8.280 nan 0.000 0.567 255 F N -0.545 119.447 119.950 0.070 0.000 2.604 255 F HA -0.139 4.388 4.527 -0.001 0.000 0.298 255 F C 0.926 176.853 175.800 0.210 0.000 1.131 255 F CA 0.201 58.285 58.000 0.140 0.000 1.457 255 F CB -0.245 38.879 39.000 0.207 0.000 1.095 255 F HN 0.517 nan 8.300 nan 0.000 0.574 256 Y N 0.430 120.951 120.300 0.368 0.000 2.740 256 Y HA 0.213 4.763 4.550 -0.001 0.000 0.356 256 Y C 0.600 176.622 175.900 0.202 0.000 1.101 256 Y CA -0.957 57.296 58.100 0.256 0.000 1.477 256 Y CB -1.817 36.759 38.460 0.193 0.000 1.296 256 Y HN 0.246 nan 8.280 nan 0.000 0.507 257 N N 0.228 119.015 118.700 0.145 0.000 2.727 257 N HA -0.259 4.480 4.740 -0.000 0.000 0.249 257 N C -1.196 174.335 175.510 0.035 0.000 1.048 257 N CA 0.694 53.791 53.050 0.078 0.000 0.714 257 N CB -1.123 37.440 38.487 0.126 0.000 0.959 257 N HN 0.471 nan 8.380 nan 0.000 0.544 258 K N 0.989 121.355 120.400 -0.057 0.000 2.687 258 K HA 0.235 4.554 4.320 -0.000 0.000 0.249 258 K C 0.226 176.725 176.600 -0.169 0.000 0.994 258 K CA -0.576 55.689 56.287 -0.037 0.000 0.913 258 K CB 2.076 34.649 32.500 0.123 0.000 1.202 258 K HN 0.243 nan 8.250 nan 0.000 0.460 259 V N 1.296 121.103 119.914 -0.178 0.000 3.032 259 V HA 0.150 4.270 4.120 -0.000 0.000 0.307 259 V C 0.795 176.629 176.094 -0.434 0.000 1.097 259 V CA -0.524 61.595 62.300 -0.301 0.000 1.191 259 V CB 0.501 32.206 31.823 -0.196 0.000 0.964 259 V HN 0.331 nan 8.190 nan 0.000 0.494 260 V N 4.842 124.348 119.914 -0.681 0.000 3.061 260 V HA 0.062 4.182 4.120 -0.000 0.000 0.306 260 V C 1.323 177.248 176.094 -0.282 0.000 1.118 260 V CA 1.145 63.041 62.300 -0.674 0.000 1.231 260 V CB 0.514 31.931 31.823 -0.677 0.000 0.956 260 V HN 1.251 nan 8.190 nan 0.000 0.499 261 T N 2.027 116.493 114.554 -0.147 0.000 3.364 261 T HA 0.122 4.472 4.350 -0.000 0.000 0.190 261 T C 0.514 175.173 174.700 -0.068 0.000 0.798 261 T CA -0.070 61.985 62.100 -0.074 0.000 1.773 261 T CB 0.033 68.891 68.868 -0.015 0.000 2.078 261 T HN 0.786 nan 8.240 nan 0.000 0.437 262 E N 0.725 120.904 120.200 -0.035 0.000 2.373 262 E HA 0.498 4.848 4.350 -0.000 0.000 0.263 262 E C -1.125 175.453 176.600 -0.036 0.000 1.073 262 E CA -0.484 55.901 56.400 -0.024 0.000 0.894 262 E CB 0.671 30.371 29.700 0.001 0.000 1.008 262 E HN 0.553 nan 8.360 nan 0.000 0.420 263 A N 3.520 126.327 122.820 -0.021 0.000 2.608 263 A HA 0.308 4.627 4.320 -0.000 0.000 0.292 263 A C -1.682 175.927 177.584 0.042 0.000 1.066 263 A CA -0.818 51.213 52.037 -0.010 0.000 0.676 263 A CB 1.755 20.718 19.000 -0.062 0.000 1.277 263 A HN 0.630 nan 8.150 nan 0.000 0.413 264 D N 1.075 121.530 120.400 0.092 0.000 2.329 264 D HA 0.522 5.162 4.640 -0.000 0.000 0.232 264 D C -0.803 175.642 176.300 0.241 0.000 1.088 264 D CA 0.213 54.318 54.000 0.173 0.000 0.835 264 D CB 1.656 42.605 40.800 0.248 0.000 1.078 264 D HN 0.253 nan 8.370 nan 0.000 0.495 265 V N 4.455 124.461 119.914 0.153 0.000 2.427 265 V HA 0.306 4.426 4.120 -0.000 0.000 0.286 265 V C -0.754 175.394 176.094 0.090 0.000 1.034 265 V CA -0.600 61.785 62.300 0.142 0.000 0.893 265 V CB 1.123 32.964 31.823 0.030 0.000 0.982 265 V HN 0.388 nan 8.190 nan 0.000 0.452 266 Y N 4.727 125.020 120.300 -0.012 0.000 2.488 266 Y HA 0.582 5.132 4.550 -0.001 0.000 0.330 266 Y C -0.054 175.794 175.900 -0.086 0.000 1.013 266 Y CA -0.655 57.424 58.100 -0.034 0.000 1.304 266 Y CB 1.312 39.764 38.460 -0.013 0.000 1.098 266 Y HN 0.470 nan 8.280 nan 0.000 0.498 267 I N 3.616 124.138 120.570 -0.080 0.000 2.354 267 I HA 0.484 4.654 4.170 -0.000 0.000 0.292 267 I C -0.201 175.627 176.117 -0.481 0.000 0.989 267 I CA -0.595 60.547 61.300 -0.263 0.000 1.188 267 I CB 1.630 39.437 38.000 -0.322 0.000 1.342 267 I HN 0.485 nan 8.210 nan 0.000 0.457 268 T N 2.562 116.827 114.554 -0.481 0.000 2.861 268 T HA 0.679 5.029 4.350 -0.000 0.000 0.287 268 T C -0.555 173.848 174.700 -0.495 0.000 1.003 268 T CA -0.646 61.197 62.100 -0.429 0.000 0.977 268 T CB 1.278 70.102 68.868 -0.072 0.000 0.996 268 T HN 0.188 nan 8.240 nan 0.000 0.448 269 F N 0.647 120.600 119.950 0.005 0.000 2.525 269 F HA 0.898 5.424 4.527 -0.001 0.000 0.346 269 F C 1.167 177.048 175.800 0.135 0.000 1.072 269 F CA -0.643 57.352 58.000 -0.008 0.000 1.033 269 F CB 1.815 40.634 39.000 -0.302 0.000 1.324 269 F HN 1.085 nan 8.300 nan 0.000 0.491 270 G N 0.260 109.312 108.800 0.418 0.000 2.556 270 G HA2 0.463 4.422 3.960 -0.000 0.000 0.294 270 G HA3 0.463 4.422 3.960 -0.000 0.000 0.294 270 G C -1.570 173.495 174.900 0.274 0.000 1.516 270 G CA -0.844 44.424 45.100 0.280 0.000 0.824 270 G HN 0.307 nan 8.290 nan 0.000 0.535 271 I N -0.433 120.266 120.570 0.214 0.000 3.468 271 I HA 0.750 4.920 4.170 -0.000 0.000 0.276 271 I C 0.692 176.909 176.117 0.166 0.000 1.182 271 I CA -0.738 60.678 61.300 0.195 0.000 0.881 271 I CB 1.173 39.278 38.000 0.174 0.000 1.609 271 I HN 0.775 nan 8.210 nan 0.000 0.780 272 R N 0.461 121.058 120.500 0.161 0.000 3.070 272 R HA 0.112 4.452 4.340 -0.000 0.000 0.249 272 R C 0.259 176.635 176.300 0.126 0.000 1.124 272 R CA -0.322 55.852 56.100 0.124 0.000 1.111 272 R CB 1.011 31.396 30.300 0.141 0.000 1.268 272 R HN 0.480 nan 8.270 nan 0.000 0.466 273 E N 1.531 121.770 120.200 0.065 0.000 2.051 273 E HA -0.095 4.254 4.350 -0.000 0.000 0.192 273 E C 0.141 176.735 176.600 -0.010 0.000 0.991 273 E CA 1.977 58.412 56.400 0.059 0.000 0.799 273 E CB 0.139 29.859 29.700 0.033 0.000 0.748 273 E HN 0.732 nan 8.360 nan 0.000 0.449 274 D N -2.620 117.683 120.400 -0.162 0.000 2.946 274 D HA 0.079 4.719 4.640 -0.000 0.000 0.337 274 D C 0.254 176.287 176.300 -0.445 0.000 1.332 274 D CA -0.585 53.190 54.000 -0.376 0.000 0.935 274 D CB 0.268 40.953 40.800 -0.191 0.000 1.440 274 D HN -0.033 nan 8.370 nan 0.000 0.540 275 L N -0.486 120.493 121.223 -0.407 0.000 2.818 275 L HA 0.315 4.655 4.340 -0.000 0.000 0.243 275 L C 1.577 178.352 176.870 -0.157 0.000 1.185 275 L CA -0.046 54.636 54.840 -0.264 0.000 0.988 275 L CB 0.128 42.038 42.059 -0.248 0.000 1.292 275 L HN 0.290 nan 8.230 nan 0.000 0.519 276 K N 0.043 120.350 120.400 -0.154 0.000 2.387 276 K HA 0.052 4.372 4.320 -0.000 0.000 0.203 276 K C 0.009 176.544 176.600 -0.110 0.000 1.030 276 K CA -0.110 56.092 56.287 -0.142 0.000 1.099 276 K CB 0.596 32.985 32.500 -0.184 0.000 0.863 276 K HN -0.017 nan 8.250 nan 0.000 0.529 277 D N 1.769 122.110 120.400 -0.100 0.000 2.428 277 D HA -0.003 4.636 4.640 -0.000 0.000 0.221 277 D C 0.275 176.536 176.300 -0.065 0.000 1.123 277 D CA -0.416 53.539 54.000 -0.074 0.000 0.869 277 D CB 1.262 42.019 40.800 -0.072 0.000 1.032 277 D HN 0.196 nan 8.370 nan 0.000 0.506 278 D N 2.062 122.432 120.400 -0.051 0.000 2.351 278 D HA -0.150 4.490 4.640 -0.000 0.000 0.216 278 D C 0.381 176.639 176.300 -0.070 0.000 0.968 278 D CA 0.801 54.774 54.000 -0.044 0.000 0.899 278 D CB -0.009 40.776 40.800 -0.025 0.000 0.907 278 D HN 0.277 nan 8.370 nan 0.000 0.514 279 Q N 0.506 120.260 119.800 -0.076 0.000 2.394 279 Q HA 0.437 4.777 4.340 -0.000 0.000 0.273 279 Q C -1.356 174.585 176.000 -0.098 0.000 1.089 279 Q CA -0.773 54.974 55.803 -0.094 0.000 0.812 279 Q CB 1.705 30.400 28.738 -0.072 0.000 1.353 279 Q HN 0.084 nan 8.270 nan 0.000 0.438 280 K N 2.094 122.417 120.400 -0.129 0.000 2.571 280 K HA 0.301 4.620 4.320 -0.000 0.000 0.252 280 K C -1.148 175.397 176.600 -0.092 0.000 0.956 280 K CA -0.748 55.474 56.287 -0.108 0.000 0.822 280 K CB 1.237 33.627 32.500 -0.184 0.000 1.286 280 K HN 0.506 nan 8.250 nan 0.000 0.439 281 E N 4.483 124.674 120.200 -0.015 0.000 2.059 281 E HA 0.055 4.405 4.350 -0.000 0.000 0.262 281 E C 0.725 177.340 176.600 0.026 0.000 1.230 281 E CA 0.027 56.426 56.400 -0.001 0.000 0.951 281 E CB -0.052 29.673 29.700 0.041 0.000 1.038 281 E HN 0.427 nan 8.360 nan 0.000 0.425 282 M N 1.529 121.121 119.600 -0.013 0.000 1.790 282 M HA 0.117 4.596 4.480 -0.000 0.000 0.172 282 M C 0.570 176.924 176.300 0.090 0.000 1.275 282 M CA 0.773 56.097 55.300 0.039 0.000 0.784 282 M CB -0.179 32.427 32.600 0.010 0.000 1.117 282 M HN 0.408 nan 8.290 nan 0.000 0.337 283 M N 0.824 120.503 119.600 0.131 0.000 2.284 283 M HA 0.205 4.685 4.480 -0.000 0.000 0.281 283 M C -0.189 176.204 176.300 0.156 0.000 1.083 283 M CA -0.862 54.531 55.300 0.154 0.000 0.965 283 M CB 2.350 35.087 32.600 0.229 0.000 1.717 283 M HN 0.572 nan 8.290 nan 0.000 0.479 284 Q N 0.443 120.318 119.800 0.126 0.000 2.839 284 Q HA 0.088 4.428 4.340 -0.000 0.000 0.229 284 Q C -0.170 175.915 176.000 0.142 0.000 1.140 284 Q CA 0.729 56.607 55.803 0.124 0.000 1.077 284 Q CB -0.549 28.247 28.738 0.096 0.000 1.335 284 Q HN 0.867 nan 8.270 nan 0.000 0.610 285 T N -1.423 113.203 114.554 0.119 0.000 3.720 285 T HA -0.088 4.262 4.350 -0.000 0.000 0.381 285 T C -0.076 174.735 174.700 0.185 0.000 0.763 285 T CA 0.868 63.043 62.100 0.124 0.000 1.957 285 T CB -2.065 66.870 68.868 0.111 0.000 1.767 285 T HN 0.876 nan 8.240 nan 0.000 0.743 286 A N 1.893 124.806 122.820 0.154 0.000 2.294 286 A HA 0.686 5.006 4.320 -0.000 0.000 0.316 286 A C 0.761 178.367 177.584 0.036 0.000 1.359 286 A CA -0.615 51.503 52.037 0.134 0.000 0.956 286 A CB 0.177 19.168 19.000 -0.016 0.000 1.155 286 A HN 0.642 nan 8.150 nan 0.000 0.544 287 M N 2.201 121.871 119.600 0.116 0.000 2.188 287 M HA -0.131 4.348 4.480 -0.000 0.000 0.373 287 M C 0.784 177.041 176.300 -0.071 0.000 1.192 287 M CA 1.204 56.534 55.300 0.051 0.000 0.854 287 M CB 0.122 32.793 32.600 0.118 0.000 1.821 287 M HN 0.815 nan 8.290 nan 0.000 0.488 288 Q N 2.529 122.261 119.800 -0.114 0.000 2.306 288 Q HA 0.481 4.820 4.340 -0.000 0.000 0.265 288 Q C -0.756 175.071 176.000 -0.288 0.000 1.022 288 Q CA -1.306 54.324 55.803 -0.289 0.000 0.853 288 Q CB 1.096 29.655 28.738 -0.298 0.000 1.327 288 Q HN 0.671 nan 8.270 nan 0.000 0.449 289 N N 0.827 119.256 118.700 -0.452 0.000 2.492 289 N HA -0.147 4.592 4.740 -0.000 0.000 0.297 289 N C -1.115 174.320 175.510 -0.126 0.000 1.456 289 N CA 1.055 53.939 53.050 -0.276 0.000 0.683 289 N CB -0.765 37.585 38.487 -0.229 0.000 1.007 289 N HN 0.788 nan 8.380 nan 0.000 0.478 290 T N 3.064 117.570 114.554 -0.080 0.000 3.532 290 T HA 0.258 4.607 4.350 -0.000 0.000 0.241 290 T C 0.624 175.308 174.700 -0.027 0.000 1.238 290 T CA -0.558 61.519 62.100 -0.037 0.000 1.405 290 T CB -0.100 68.758 68.868 -0.016 0.000 0.971 290 T HN 0.383 nan 8.240 nan 0.000 0.640 291 M N 2.388 121.972 119.600 -0.027 0.000 2.151 291 M HA -0.133 4.347 4.480 -0.000 0.000 0.546 291 M C 0.488 176.782 176.300 -0.010 0.000 1.279 291 M CA 0.229 55.526 55.300 -0.005 0.000 0.613 291 M CB 0.032 32.637 32.600 0.007 0.000 1.928 291 M HN 0.214 nan 8.290 nan 0.000 0.574 292 L N 5.395 126.611 121.223 -0.011 0.000 2.554 292 L HA 0.128 4.468 4.340 -0.000 0.000 0.293 292 L C -0.163 176.683 176.870 -0.040 0.000 1.252 292 L CA 1.283 56.104 54.840 -0.031 0.000 0.862 292 L CB 0.121 42.152 42.059 -0.048 0.000 1.113 292 L HN 0.683 nan 8.230 nan 0.000 0.510 293 I N 5.299 125.840 120.570 -0.047 0.000 2.599 293 I HA 0.144 4.314 4.170 -0.000 0.000 0.285 293 I C 0.527 176.612 176.117 -0.054 0.000 1.168 293 I CA -0.363 60.910 61.300 -0.043 0.000 1.060 293 I CB 1.025 39.008 38.000 -0.028 0.000 1.249 293 I HN 0.763 nan 8.210 nan 0.000 0.442 294 N N 4.796 123.457 118.700 -0.064 0.000 2.741 294 N HA -0.192 4.547 4.740 -0.000 0.000 0.250 294 N C 0.725 176.181 175.510 -0.089 0.000 1.115 294 N CA 1.121 54.129 53.050 -0.070 0.000 0.724 294 N CB -0.284 38.175 38.487 -0.048 0.000 1.090 294 N HN 1.203 nan 8.380 nan 0.000 0.558 295 G N -1.190 107.541 108.800 -0.116 0.000 2.179 295 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.220 295 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.220 295 G C -0.142 174.697 174.900 -0.101 0.000 0.990 295 G CA 0.367 45.386 45.100 -0.135 0.000 0.646 295 G HN 0.409 nan 8.290 nan 0.000 0.517 296 I N -0.197 120.326 120.570 -0.077 0.000 2.827 296 I HA 0.789 4.958 4.170 -0.000 0.000 0.298 296 I C 0.031 176.122 176.117 -0.042 0.000 1.235 296 I CA -0.386 60.880 61.300 -0.057 0.000 1.021 296 I CB 1.845 39.815 38.000 -0.050 0.000 1.259 296 I HN 0.658 nan 8.210 nan 0.000 0.427 297 A N 4.159 126.961 122.820 -0.031 0.000 2.602 297 A HA 0.841 5.160 4.320 -0.000 0.000 0.290 297 A C -1.541 176.038 177.584 -0.008 0.000 1.114 297 A CA -0.520 51.507 52.037 -0.018 0.000 0.683 297 A CB 3.012 22.003 19.000 -0.014 0.000 1.281 297 A HN 0.702 nan 8.150 nan 0.000 0.416 298 Q N -0.623 119.179 119.800 0.004 0.000 2.435 298 Q HA 0.612 4.952 4.340 -0.000 0.000 0.282 298 Q C -1.723 174.301 176.000 0.040 0.000 1.020 298 Q CA -0.750 55.063 55.803 0.017 0.000 0.820 298 Q CB 2.861 31.603 28.738 0.006 0.000 1.436 298 Q HN 1.404 nan 8.270 nan 0.000 0.395 299 V N -1.998 117.960 119.914 0.073 0.000 3.048 299 V HA 0.708 4.828 4.120 -0.000 0.000 0.303 299 V C -0.400 175.778 176.094 0.141 0.000 1.214 299 V CA -0.971 61.392 62.300 0.105 0.000 0.984 299 V CB 1.444 33.352 31.823 0.141 0.000 1.054 299 V HN 0.869 nan 8.190 nan 0.000 0.430 300 T N 0.264 114.900 114.554 0.136 0.000 2.907 300 T HA 0.758 5.107 4.350 -0.000 0.000 0.284 300 T C -0.838 173.995 174.700 0.221 0.000 1.004 300 T CA -0.274 61.923 62.100 0.163 0.000 1.063 300 T CB 1.747 70.674 68.868 0.098 0.000 0.992 300 T HN 1.186 nan 8.240 nan 0.000 0.483 301 F N 2.544 122.510 119.950 0.027 0.000 2.382 301 F HA 0.355 4.881 4.527 -0.001 0.000 0.361 301 F C -0.414 175.296 175.800 -0.150 0.000 1.109 301 F CA -1.805 56.126 58.000 -0.115 0.000 1.031 301 F CB 0.863 39.660 39.000 -0.339 0.000 1.234 301 F HN 0.620 nan 8.300 nan 0.000 0.445 302 D N 3.961 124.097 120.400 -0.439 0.000 2.367 302 D HA 0.063 4.702 4.640 -0.000 0.000 0.255 302 D C 0.776 176.501 176.300 -0.958 0.000 1.300 302 D CA 0.419 54.099 54.000 -0.534 0.000 0.959 302 D CB 1.110 41.743 40.800 -0.278 0.000 1.064 302 D HN 0.595 nan 8.370 nan 0.000 0.509 303 S N 3.093 118.075 115.700 -1.197 0.000 2.402 303 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 303 S C 1.634 175.611 174.600 -1.038 0.000 1.021 303 S CA 0.498 57.933 58.200 -1.275 0.000 0.974 303 S CB 0.137 62.751 63.200 -0.976 0.000 0.800 303 S HN 0.640 nan 8.310 nan 0.000 0.484 304 E N 1.046 120.567 120.200 -1.132 0.000 2.007 304 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 304 E C 1.987 178.413 176.600 -0.290 0.000 0.999 304 E CA 1.656 57.682 56.400 -0.622 0.000 0.811 304 E CB -0.220 29.298 29.700 -0.304 0.000 0.762 304 E HN 0.413 nan 8.360 nan 0.000 0.450 305 T N 0.940 115.339 114.554 -0.258 0.000 2.544 305 T HA -0.226 4.124 4.350 -0.000 0.000 0.264 305 T C 1.654 176.283 174.700 -0.119 0.000 1.096 305 T CA 1.783 63.796 62.100 -0.145 0.000 1.181 305 T CB -0.519 68.269 68.868 -0.133 0.000 0.864 305 T HN 0.337 nan 8.240 nan 0.000 0.415 306 A N 0.231 122.941 122.820 -0.184 0.000 2.207 306 A HA 0.260 4.580 4.320 -0.000 0.000 0.205 306 A C 1.697 179.301 177.584 0.034 0.000 1.310 306 A CA 0.527 52.542 52.037 -0.036 0.000 0.926 306 A CB -0.511 18.484 19.000 -0.009 0.000 0.778 306 A HN 0.393 nan 8.150 nan 0.000 0.497 307 V N -2.166 117.746 119.914 -0.004 0.000 3.155 307 V HA -0.032 4.088 4.120 -0.000 0.000 0.225 307 V C 1.848 177.994 176.094 0.088 0.000 1.462 307 V CA 0.638 62.989 62.300 0.084 0.000 1.270 307 V CB -0.360 31.502 31.823 0.065 0.000 1.112 307 V HN 0.428 nan 8.190 nan 0.000 0.479 308 K N 0.982 121.409 120.400 0.044 0.000 1.980 308 K HA -0.318 4.002 4.320 -0.000 0.000 0.231 308 K C 1.891 178.508 176.600 0.027 0.000 1.018 308 K CA 2.492 58.806 56.287 0.045 0.000 1.063 308 K CB -0.312 32.203 32.500 0.025 0.000 0.731 308 K HN 0.340 nan 8.250 nan 0.000 0.456 309 E N 1.232 121.440 120.200 0.014 0.000 2.401 309 E HA -0.118 4.232 4.350 -0.000 0.000 0.199 309 E C 1.354 177.947 176.600 -0.012 0.000 1.023 309 E CA 0.774 57.172 56.400 -0.003 0.000 0.859 309 E CB -0.125 29.576 29.700 0.002 0.000 0.780 309 E HN 0.314 nan 8.360 nan 0.000 0.523 310 L N -0.610 120.621 121.223 0.014 0.000 2.611 310 L HA 0.303 4.643 4.340 -0.000 0.000 0.229 310 L C 0.221 177.096 176.870 0.008 0.000 1.137 310 L CA -0.207 54.648 54.840 0.025 0.000 0.901 310 L CB -0.097 42.007 42.059 0.076 0.000 1.098 310 L HN -0.069 nan 8.230 nan 0.000 0.456 311 S N -3.056 112.618 115.700 -0.043 0.000 2.663 311 S HA 0.173 4.643 4.470 -0.000 0.000 0.264 311 S C -0.179 174.264 174.600 -0.263 0.000 1.112 311 S CA -0.700 57.404 58.200 -0.161 0.000 0.823 311 S CB 0.342 63.529 63.200 -0.022 0.000 1.111 311 S HN 0.022 nan 8.310 nan 0.000 0.476 312 Y N 0.082 120.078 120.300 -0.508 0.000 2.716 312 Y HA -0.040 4.510 4.550 -0.000 0.000 0.302 312 Y C -0.083 175.585 175.900 -0.387 0.000 1.160 312 Y CA 0.799 58.624 58.100 -0.458 0.000 1.362 312 Y CB -0.116 38.054 38.460 -0.483 0.000 0.988 312 Y HN 0.401 nan 8.280 nan 0.000 0.546 313 Y N -0.474 119.896 120.300 0.117 0.000 2.594 313 Y HA 0.150 4.699 4.550 -0.000 0.000 0.342 313 Y C 1.108 177.029 175.900 0.036 0.000 1.010 313 Y CA -0.551 57.581 58.100 0.053 0.000 1.270 313 Y CB 0.649 39.113 38.460 0.007 0.000 1.125 313 Y HN -0.013 nan 8.280 nan 0.000 0.513 314 S N 1.275 117.073 115.700 0.163 0.000 2.564 314 S HA 0.253 4.723 4.470 -0.000 0.000 0.231 314 S C 0.061 174.720 174.600 0.098 0.000 1.067 314 S CA -0.173 58.091 58.200 0.107 0.000 0.908 314 S CB 0.304 63.548 63.200 0.073 0.000 0.809 314 S HN 0.437 nan 8.310 nan 0.000 0.491 315 L N 2.507 123.778 121.223 0.081 0.000 2.309 315 L HA 0.445 4.785 4.340 -0.000 0.000 0.282 315 L C 1.657 178.533 176.870 0.011 0.000 1.036 315 L CA -0.384 54.478 54.840 0.038 0.000 0.806 315 L CB 1.429 43.491 42.059 0.005 0.000 1.220 315 L HN 0.116 nan 8.230 nan 0.000 0.429 316 E N 1.627 121.778 120.200 -0.083 0.000 2.110 316 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 316 E C 1.004 177.471 176.600 -0.222 0.000 0.988 316 E CA 1.288 57.521 56.400 -0.278 0.000 0.804 316 E CB 0.224 29.320 29.700 -1.006 0.000 0.745 316 E HN 0.832 nan 8.360 nan 0.000 0.458 317 D N 1.036 121.336 120.400 -0.167 0.000 2.797 317 D HA -0.265 4.375 4.640 -0.000 0.000 0.222 317 D C 0.747 177.006 176.300 -0.068 0.000 1.070 317 D CA 1.339 55.280 54.000 -0.098 0.000 0.926 317 D CB -0.662 40.098 40.800 -0.066 0.000 1.136 317 D HN 0.206 nan 8.370 nan 0.000 0.487 318 L N 1.018 122.224 121.223 -0.028 0.000 3.918 318 L HA -0.102 4.238 4.340 -0.000 0.000 0.293 318 L C 0.076 176.939 176.870 -0.013 0.000 1.464 318 L CA 0.287 55.143 54.840 0.027 0.000 1.141 318 L CB -0.746 41.374 42.059 0.102 0.000 1.455 318 L HN 0.220 nan 8.230 nan 0.000 0.420 319 N N 2.017 120.667 118.700 -0.084 0.000 4.650 319 N HA -0.041 4.699 4.740 -0.000 0.000 0.147 319 N C -0.862 174.582 175.510 -0.111 0.000 1.331 319 N CA -0.226 52.695 53.050 -0.215 0.000 0.997 319 N CB 0.069 38.304 38.487 -0.419 0.000 1.701 319 N HN 0.281 nan 8.380 nan 0.000 0.857 320 N N 1.713 120.392 118.700 -0.035 0.000 2.433 320 N HA 0.102 4.842 4.740 -0.000 0.000 0.270 320 N C -0.264 175.274 175.510 0.046 0.000 1.354 320 N CA -0.102 52.959 53.050 0.019 0.000 0.889 320 N CB 1.011 39.513 38.487 0.025 0.000 1.285 320 N HN 0.533 nan 8.380 nan 0.000 0.503 321 K N -0.363 120.072 120.400 0.059 0.000 2.642 321 K HA 0.376 4.695 4.320 -0.000 0.000 0.273 321 K C -0.551 176.160 176.600 0.185 0.000 1.029 321 K CA -0.567 55.838 56.287 0.196 0.000 1.071 321 K CB 0.635 33.224 32.500 0.150 0.000 1.451 321 K HN -0.124 nan 8.250 nan 0.000 0.559 322 Y N -0.064 120.288 120.300 0.087 0.000 2.403 322 Y HA 0.325 4.875 4.550 -0.001 0.000 0.323 322 Y C -0.045 175.956 175.900 0.169 0.000 1.226 322 Y CA -1.309 56.848 58.100 0.096 0.000 1.235 322 Y CB 1.424 39.915 38.460 0.052 0.000 1.248 322 Y HN 0.170 nan 8.280 nan 0.000 0.489 323 L N 3.785 125.121 121.223 0.190 0.000 2.305 323 L HA 0.347 4.686 4.340 -0.000 0.000 0.284 323 L C -1.709 175.279 176.870 0.196 0.000 1.013 323 L CA -0.730 54.220 54.840 0.183 0.000 0.819 323 L CB 0.779 42.787 42.059 -0.085 0.000 1.227 323 L HN 0.765 nan 8.230 nan 0.000 0.417 324 Y N 6.352 126.728 120.300 0.126 0.000 2.328 324 Y HA 0.620 5.170 4.550 -0.000 0.000 0.337 324 Y C -0.597 175.378 175.900 0.126 0.000 1.008 324 Y CA -0.686 57.478 58.100 0.108 0.000 1.129 324 Y CB 1.074 39.589 38.460 0.092 0.000 1.185 324 Y HN 0.506 nan 8.280 nan 0.000 0.476 325 I N 5.679 126.014 120.570 -0.390 0.000 2.569 325 I HA 0.822 4.992 4.170 -0.000 0.000 0.296 325 I C -0.931 174.840 176.117 -0.577 0.000 1.028 325 I CA -1.253 59.888 61.300 -0.266 0.000 1.082 325 I CB 2.039 40.027 38.000 -0.020 0.000 1.264 325 I HN 0.742 nan 8.210 nan 0.000 0.429 326 A N 5.162 127.757 122.820 -0.374 0.000 2.485 326 A HA 0.669 4.988 4.320 -0.000 0.000 0.285 326 A C -1.048 176.454 177.584 -0.136 0.000 1.045 326 A CA -0.455 51.427 52.037 -0.259 0.000 0.792 326 A CB 1.137 20.033 19.000 -0.173 0.000 1.307 326 A HN 0.397 nan 8.150 nan 0.000 0.406 327 V N 1.267 121.125 119.914 -0.093 0.000 2.716 327 V HA 0.758 4.877 4.120 -0.000 0.000 0.304 327 V C 0.294 176.392 176.094 0.006 0.000 1.053 327 V CA -0.376 61.898 62.300 -0.043 0.000 0.984 327 V CB 1.889 33.697 31.823 -0.025 0.000 1.021 327 V HN 0.863 nan 8.190 nan 0.000 0.467 328 T N 2.379 116.970 114.554 0.061 0.000 2.864 328 T HA 0.452 4.802 4.350 -0.000 0.000 0.299 328 T C -0.602 174.185 174.700 0.144 0.000 1.011 328 T CA -0.326 61.821 62.100 0.078 0.000 0.975 328 T CB 1.316 70.211 68.868 0.045 0.000 0.962 328 T HN 0.356 nan 8.240 nan 0.000 0.448 329 V N 5.880 125.889 119.914 0.160 0.000 2.294 329 V HA 0.406 4.526 4.120 -0.000 0.000 0.272 329 V C 0.405 176.687 176.094 0.313 0.000 1.027 329 V CA -0.919 61.516 62.300 0.225 0.000 0.823 329 V CB 0.244 32.231 31.823 0.272 0.000 1.030 329 V HN 0.840 nan 8.190 nan 0.000 0.457 330 I N 1.073 121.779 120.570 0.227 0.000 2.304 330 I HA 0.554 4.724 4.170 -0.000 0.000 0.291 330 I C 0.374 176.592 176.117 0.168 0.000 1.018 330 I CA -0.364 61.066 61.300 0.217 0.000 1.260 330 I CB 1.077 39.125 38.000 0.081 0.000 1.390 330 I HN 0.651 nan 8.210 nan 0.000 0.475 331 E N 4.726 125.064 120.200 0.230 0.000 2.415 331 E HA -0.028 4.322 4.350 -0.000 0.000 0.263 331 E C 0.540 177.167 176.600 0.045 0.000 0.995 331 E CA -0.020 56.420 56.400 0.066 0.000 0.915 331 E CB 1.267 31.040 29.700 0.123 0.000 0.951 331 E HN 0.831 nan 8.360 nan 0.000 0.449 332 S N 2.720 118.424 115.700 0.007 0.000 2.371 332 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 332 S C 1.869 176.460 174.600 -0.016 0.000 1.029 332 S CA 1.833 60.032 58.200 -0.001 0.000 0.978 332 S CB -0.268 62.940 63.200 0.013 0.000 0.833 332 S HN 0.787 nan 8.310 nan 0.000 0.466 333 T N -0.100 114.444 114.554 -0.017 0.000 2.590 333 T HA 0.034 4.383 4.350 -0.000 0.000 0.257 333 T C 1.935 176.547 174.700 -0.146 0.000 1.080 333 T CA 1.885 63.942 62.100 -0.071 0.000 1.180 333 T CB -1.302 67.534 68.868 -0.052 0.000 0.865 333 T HN 0.396 nan 8.240 nan 0.000 0.403 334 G N -0.300 108.405 108.800 -0.159 0.000 2.448 334 G HA2 0.314 4.273 3.960 -0.000 0.000 0.218 334 G HA3 0.314 4.273 3.960 -0.000 0.000 0.218 334 G C 1.365 176.159 174.900 -0.176 0.000 1.135 334 G CA 0.412 45.325 45.100 -0.311 0.000 0.784 334 G HN 1.587 nan 8.290 nan 0.000 0.543 335 G N -1.068 107.686 108.800 -0.077 0.000 2.159 335 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.256 335 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.256 335 G C 0.529 175.486 174.900 0.095 0.000 0.977 335 G CA 0.175 45.277 45.100 0.003 0.000 0.652 335 G HN 0.391 nan 8.290 nan 0.000 0.531 336 F N 0.648 120.647 119.950 0.082 0.000 2.142 336 F HA 0.449 4.975 4.527 -0.001 0.000 0.262 336 F C 1.446 177.306 175.800 0.101 0.000 1.157 336 F CA 1.423 59.408 58.000 -0.024 0.000 1.267 336 F CB 0.219 39.075 39.000 -0.241 0.000 1.637 336 F HN 0.339 nan 8.300 nan 0.000 0.484 337 S N -0.403 115.539 115.700 0.402 0.000 2.556 337 S HA 0.425 4.894 4.470 -0.000 0.000 0.280 337 S C -1.876 172.790 174.600 0.110 0.000 1.141 337 S CA -0.690 57.669 58.200 0.266 0.000 0.883 337 S CB 1.557 64.852 63.200 0.159 0.000 1.103 337 S HN 0.462 nan 8.310 nan 0.000 0.453 338 E N 1.639 121.847 120.200 0.013 0.000 2.290 338 E HA 0.571 4.921 4.350 -0.000 0.000 0.274 338 E C -1.540 175.019 176.600 -0.069 0.000 0.889 338 E CA -0.362 55.909 56.400 -0.215 0.000 0.760 338 E CB 1.865 31.085 29.700 -0.800 0.000 1.206 338 E HN 0.653 nan 8.360 nan 0.000 0.419 339 E N 0.939 121.086 120.200 -0.090 0.000 2.221 339 E HA 0.899 5.249 4.350 -0.000 0.000 0.268 339 E C -1.248 175.313 176.600 -0.065 0.000 0.933 339 E CA -1.129 55.242 56.400 -0.049 0.000 0.809 339 E CB 2.034 31.709 29.700 -0.041 0.000 1.190 339 E HN 0.458 nan 8.360 nan 0.000 0.406 340 A N 1.951 124.743 122.820 -0.047 0.000 2.604 340 A HA 0.590 4.910 4.320 -0.000 0.000 0.295 340 A C -1.596 175.943 177.584 -0.074 0.000 1.067 340 A CA -0.865 51.137 52.037 -0.058 0.000 0.683 340 A CB 1.427 20.397 19.000 -0.051 0.000 1.281 340 A HN 0.663 nan 8.150 nan 0.000 0.407 341 E N 0.697 120.842 120.200 -0.092 0.000 2.383 341 E HA 0.750 5.100 4.350 -0.000 0.000 0.275 341 E C -1.556 174.935 176.600 -0.180 0.000 0.918 341 E CA -0.771 55.520 56.400 -0.181 0.000 0.764 341 E CB 1.868 31.467 29.700 -0.169 0.000 1.252 341 E HN 0.450 nan 8.360 nan 0.000 0.449 342 I N 2.888 123.293 120.570 -0.274 0.000 2.339 342 I HA 0.248 4.417 4.170 -0.000 0.000 0.290 342 I C -1.807 174.182 176.117 -0.213 0.000 0.994 342 I CA -2.494 58.702 61.300 -0.174 0.000 1.191 342 I CB 1.805 39.741 38.000 -0.107 0.000 1.343 342 I HN 0.525 nan 8.210 nan 0.000 0.458 343 P HA -0.033 nan 4.420 nan 0.000 0.213 343 P C 0.453 177.857 177.300 0.174 0.000 1.170 343 P CA 0.805 63.956 63.100 0.084 0.000 0.898 343 P CB 0.272 32.013 31.700 0.068 0.000 0.787 344 G N -1.887 107.001 108.800 0.146 0.000 2.623 344 G HA2 0.648 4.608 3.960 -0.000 0.000 0.290 344 G HA3 0.648 4.608 3.960 -0.000 0.000 0.290 344 G C -2.033 172.978 174.900 0.185 0.000 1.437 344 G CA -0.419 44.846 45.100 0.275 0.000 0.798 344 G HN 0.004 nan 8.290 nan 0.000 0.488 345 I N 0.989 121.595 120.570 0.060 0.000 2.563 345 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 345 I C -0.086 175.743 176.117 -0.481 0.000 1.123 345 I CA -0.674 60.504 61.300 -0.202 0.000 1.059 345 I CB 2.147 40.045 38.000 -0.170 0.000 1.229 345 I HN 0.412 nan 8.210 nan 0.000 0.442 346 K N 5.346 125.272 120.400 -0.790 0.000 2.448 346 K HA 0.189 4.509 4.320 -0.000 0.000 0.278 346 K C -1.041 175.297 176.600 -0.437 0.000 1.009 346 K CA 0.113 55.834 56.287 -0.943 0.000 0.995 346 K CB 0.598 32.559 32.500 -0.898 0.000 0.917 346 K HN 0.328 nan 8.250 nan 0.000 0.481 347 Y N 2.008 122.135 120.300 -0.289 0.000 2.301 347 Y HA 0.243 4.792 4.550 -0.000 0.000 0.328 347 Y C 0.107 175.967 175.900 -0.067 0.000 1.242 347 Y CA -0.211 57.813 58.100 -0.127 0.000 1.323 347 Y CB 1.435 39.831 38.460 -0.107 0.000 1.266 347 Y HN 0.163 nan 8.280 nan 0.000 0.527 348 V N 4.604 124.606 119.914 0.148 0.000 2.623 348 V HA 0.101 4.221 4.120 -0.000 0.000 0.304 348 V C 0.390 176.512 176.094 0.046 0.000 1.054 348 V CA -0.875 61.478 62.300 0.087 0.000 0.882 348 V CB 1.869 33.740 31.823 0.080 0.000 1.002 348 V HN 0.817 nan 8.190 nan 0.000 0.424 349 L N 2.712 123.947 121.223 0.020 0.000 2.005 349 L HA 0.153 4.492 4.340 -0.000 0.000 0.207 349 L C 0.967 177.852 176.870 0.025 0.000 1.072 349 L CA 2.042 56.880 54.840 -0.004 0.000 0.744 349 L CB 0.536 42.584 42.059 -0.019 0.000 0.895 349 L HN 0.726 nan 8.230 nan 0.000 0.433 350 S N -1.341 114.374 115.700 0.025 0.000 2.594 350 S HA 0.456 4.926 4.470 -0.000 0.000 0.296 350 S C -2.175 172.417 174.600 -0.014 0.000 1.124 350 S CA -1.138 57.083 58.200 0.035 0.000 1.011 350 S CB 1.816 65.052 63.200 0.060 0.000 1.016 350 S HN -0.049 nan 8.310 nan 0.000 0.485 351 P HA 0.182 nan 4.420 nan 0.000 0.245 351 P C -0.922 176.144 177.300 -0.389 0.000 1.212 351 P CA 0.491 63.419 63.100 -0.287 0.000 0.774 351 P CB -0.225 31.232 31.700 -0.406 0.000 0.999 352 Y N 0.627 120.924 120.300 -0.005 0.000 2.602 352 Y HA 0.522 5.071 4.550 -0.000 0.000 0.330 352 Y C 0.908 176.818 175.900 0.016 0.000 1.114 352 Y CA -1.031 57.071 58.100 0.003 0.000 1.182 352 Y CB 1.516 39.982 38.460 0.010 0.000 1.305 352 Y HN -0.312 nan 8.280 nan 0.000 0.502 353 K N 2.054 122.572 120.400 0.197 0.000 2.652 353 K HA 0.430 4.749 4.320 -0.000 0.000 0.249 353 K C -1.869 174.802 176.600 0.118 0.000 0.986 353 K CA -0.724 55.640 56.287 0.129 0.000 0.867 353 K CB 1.438 33.997 32.500 0.098 0.000 1.201 353 K HN 0.350 nan 8.250 nan 0.000 0.450 354 L N 2.986 124.274 121.223 0.107 0.000 2.395 354 L HA 0.402 4.741 4.340 -0.000 0.000 0.269 354 L C 0.166 177.108 176.870 0.120 0.000 1.133 354 L CA -0.069 54.829 54.840 0.097 0.000 0.812 354 L CB -0.060 42.054 42.059 0.092 0.000 1.125 354 L HN 0.878 nan 8.230 nan 0.000 0.452 355 N N 2.423 121.186 118.700 0.104 0.000 2.493 355 N HA 0.269 5.009 4.740 -0.000 0.000 0.279 355 N C -0.960 174.587 175.510 0.060 0.000 1.082 355 N CA -0.686 52.444 53.050 0.134 0.000 0.963 355 N CB 1.519 40.073 38.487 0.111 0.000 1.627 355 N HN 0.437 nan 8.380 nan 0.000 0.499 356 L N 0.729 121.952 121.223 -0.001 0.000 2.503 356 L HA 0.150 4.489 4.340 -0.000 0.000 0.287 356 L C 0.010 176.876 176.870 -0.006 0.000 1.252 356 L CA -0.028 54.745 54.840 -0.112 0.000 0.835 356 L CB 0.376 42.270 42.059 -0.275 0.000 1.099 356 L HN 0.360 nan 8.230 nan 0.000 0.516 357 V N 1.860 121.771 119.914 -0.004 0.000 2.482 357 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 357 V C 0.378 176.519 176.094 0.080 0.000 1.026 357 V CA -0.419 61.913 62.300 0.053 0.000 0.856 357 V CB 1.444 33.296 31.823 0.048 0.000 1.001 357 V HN 0.958 nan 8.190 nan 0.000 0.424 358 A N 4.088 127.004 122.820 0.161 0.000 2.311 358 A HA -0.143 4.177 4.320 -0.000 0.000 0.284 358 A C 0.635 178.305 177.584 0.143 0.000 1.409 358 A CA 1.361 53.539 52.037 0.236 0.000 0.764 358 A CB -1.375 17.834 19.000 0.349 0.000 1.095 358 A HN 1.600 nan 8.150 nan 0.000 0.369 359 T N -0.987 113.617 114.554 0.084 0.000 3.141 359 T HA 0.588 4.938 4.350 -0.000 0.000 0.377 359 T C -2.357 172.392 174.700 0.083 0.000 1.258 359 T CA -1.744 60.378 62.100 0.036 0.000 1.263 359 T CB 1.480 70.295 68.868 -0.089 0.000 1.066 359 T HN 0.201 nan 8.240 nan 0.000 0.546 360 P HA 0.092 nan 4.420 nan 0.000 0.264 360 P C 0.053 177.399 177.300 0.077 0.000 1.179 360 P CA -0.328 62.829 63.100 0.094 0.000 0.763 360 P CB 0.494 32.289 31.700 0.158 0.000 0.806 361 L N 2.883 123.956 121.223 -0.249 0.000 2.912 361 L HA 0.310 4.650 4.340 -0.000 0.000 0.240 361 L C -0.361 176.159 176.870 -0.582 0.000 1.262 361 L CA 0.479 55.129 54.840 -0.317 0.000 1.058 361 L CB -0.807 41.036 42.059 -0.361 0.000 1.383 361 L HN 0.289 nan 8.230 nan 0.000 0.512 362 F N -0.101 119.816 119.950 -0.054 0.000 2.547 362 F HA 0.510 5.036 4.527 -0.000 0.000 0.316 362 F C -0.514 175.120 175.800 -0.276 0.000 1.121 362 F CA -1.393 56.519 58.000 -0.147 0.000 0.911 362 F CB 1.530 40.483 39.000 -0.078 0.000 1.179 362 F HN -0.281 nan 8.300 nan 0.000 0.443 363 L N 1.720 122.837 121.223 -0.178 0.000 2.275 363 L HA 0.599 4.939 4.340 -0.000 0.000 0.288 363 L C -0.657 176.112 176.870 -0.168 0.000 1.046 363 L CA -0.927 53.738 54.840 -0.291 0.000 0.805 363 L CB 0.167 41.990 42.059 -0.393 0.000 1.193 363 L HN 0.328 nan 8.230 nan 0.000 0.426 364 K N 3.620 123.919 120.400 -0.168 0.000 2.218 364 K HA 0.522 4.842 4.320 -0.000 0.000 0.276 364 K C -2.354 174.093 176.600 -0.254 0.000 1.022 364 K CA -1.286 54.861 56.287 -0.233 0.000 0.946 364 K CB 0.240 32.682 32.500 -0.097 0.000 1.000 364 K HN 0.405 nan 8.250 nan 0.000 0.468 365 P HA 0.270 nan 4.420 nan 0.000 0.285 365 P C 0.473 177.770 177.300 -0.004 0.000 1.269 365 P CA -0.439 62.546 63.100 -0.192 0.000 0.844 365 P CB 1.363 32.925 31.700 -0.231 0.000 1.094 366 G N 0.537 109.364 108.800 0.044 0.000 2.353 366 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.258 366 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.258 366 G C 0.202 175.159 174.900 0.096 0.000 1.013 366 G CA 0.071 45.224 45.100 0.089 0.000 0.622 366 G HN 0.498 nan 8.290 nan 0.000 0.535 367 I N 2.972 123.597 120.570 0.093 0.000 2.532 367 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 367 I C -1.901 174.280 176.117 0.106 0.000 1.014 367 I CA -2.323 59.059 61.300 0.136 0.000 1.340 367 I CB 1.566 39.688 38.000 0.204 0.000 1.422 367 I HN -0.063 nan 8.210 nan 0.000 0.528 368 P HA 0.111 nan 4.420 nan 0.000 0.286 368 P C -1.236 176.147 177.300 0.138 0.000 1.269 368 P CA -0.258 62.906 63.100 0.106 0.000 0.787 368 P CB 0.367 32.113 31.700 0.077 0.000 0.920 369 Y N 6.118 126.395 120.300 -0.038 0.000 2.393 369 Y HA 0.347 4.897 4.550 -0.000 0.000 0.338 369 Y C -2.431 173.422 175.900 -0.079 0.000 1.029 369 Y CA -2.873 55.180 58.100 -0.078 0.000 1.239 369 Y CB 0.234 38.637 38.460 -0.096 0.000 1.170 369 Y HN 0.332 nan 8.280 nan 0.000 0.515 370 P HA 0.375 nan 4.420 nan 0.000 0.284 370 P C -0.662 176.238 177.300 -0.665 0.000 1.253 370 P CA 0.018 62.890 63.100 -0.380 0.000 0.800 370 P CB 1.157 32.755 31.700 -0.170 0.000 0.961 371 I N 1.964 122.262 120.570 -0.454 0.000 2.908 371 I HA 0.115 4.285 4.170 -0.000 0.000 0.319 371 I C -0.123 175.858 176.117 -0.227 0.000 1.471 371 I CA -0.511 60.484 61.300 -0.508 0.000 0.809 371 I CB 0.361 37.883 38.000 -0.797 0.000 2.186 371 I HN 0.120 nan 8.210 nan 0.000 0.607 372 K N 2.736 123.056 120.400 -0.135 0.000 2.253 372 K HA 0.139 4.459 4.320 -0.000 0.000 0.273 372 K C 0.406 176.977 176.600 -0.048 0.000 1.118 372 K CA -0.105 56.154 56.287 -0.045 0.000 1.100 372 K CB 0.065 32.532 32.500 -0.056 0.000 0.932 372 K HN 0.349 nan 8.250 nan 0.000 0.433 373 V N 0.864 120.769 119.914 -0.016 0.000 3.264 373 V HA 0.199 4.319 4.120 -0.000 0.000 0.304 373 V C -0.201 175.902 176.094 0.014 0.000 1.086 373 V CA -0.538 61.742 62.300 -0.033 0.000 1.090 373 V CB 1.368 33.160 31.823 -0.052 0.000 1.112 373 V HN 0.904 nan 8.190 nan 0.000 0.472 374 Q N 1.450 121.262 119.800 0.021 0.000 2.309 374 Q HA 0.546 4.885 4.340 -0.000 0.000 0.254 374 Q C -1.963 174.065 176.000 0.046 0.000 0.938 374 Q CA -0.616 55.207 55.803 0.033 0.000 0.789 374 Q CB 2.090 30.850 28.738 0.038 0.000 1.313 374 Q HN 0.808 nan 8.270 nan 0.000 0.438 375 V N 3.683 123.620 119.914 0.038 0.000 2.607 375 V HA 0.505 4.624 4.120 -0.000 0.000 0.289 375 V C -0.134 176.021 176.094 0.102 0.000 1.053 375 V CA -0.113 62.222 62.300 0.058 0.000 0.996 375 V CB 1.543 33.361 31.823 -0.009 0.000 0.995 375 V HN 0.745 nan 8.190 nan 0.000 0.476 376 K N 1.933 122.423 120.400 0.150 0.000 2.508 376 K HA 0.460 4.780 4.320 -0.000 0.000 0.260 376 K C -1.441 175.250 176.600 0.150 0.000 0.949 376 K CA -0.867 55.501 56.287 0.134 0.000 0.834 376 K CB 2.043 34.602 32.500 0.099 0.000 1.365 376 K HN 0.856 nan 8.250 nan 0.000 0.437 377 D N -0.251 120.196 120.400 0.078 0.000 2.332 377 D HA 0.053 4.693 4.640 -0.000 0.000 0.252 377 D C 0.406 176.673 176.300 -0.055 0.000 1.050 377 D CA -0.632 53.345 54.000 -0.039 0.000 0.970 377 D CB 1.154 41.897 40.800 -0.096 0.000 1.141 377 D HN 0.431 nan 8.370 nan 0.000 0.485 378 S N -0.372 115.224 115.700 -0.173 0.000 2.547 378 S HA -0.151 4.319 4.470 -0.000 0.000 0.255 378 S C 1.239 175.850 174.600 0.020 0.000 0.977 378 S CA 0.478 58.584 58.200 -0.156 0.000 0.960 378 S CB -0.601 62.277 63.200 -0.537 0.000 0.746 378 S HN 0.529 nan 8.310 nan 0.000 0.532 379 L N 0.719 121.950 121.223 0.013 0.000 3.229 379 L HA 0.238 4.577 4.340 -0.000 0.000 0.286 379 L C -0.313 176.614 176.870 0.095 0.000 1.239 379 L CA -0.079 54.832 54.840 0.118 0.000 1.035 379 L CB 0.160 42.266 42.059 0.078 0.000 1.408 379 L HN 0.068 nan 8.230 nan 0.000 0.593 380 D N 0.737 121.187 120.400 0.083 0.000 2.792 380 D HA -0.223 4.417 4.640 -0.000 0.000 0.231 380 D C 0.266 176.607 176.300 0.068 0.000 1.160 380 D CA 0.991 55.039 54.000 0.079 0.000 0.697 380 D CB -0.392 40.461 40.800 0.088 0.000 1.070 380 D HN 0.444 nan 8.370 nan 0.000 0.426 381 Q N -0.430 119.404 119.800 0.057 0.000 2.212 381 Q HA 0.611 4.951 4.340 -0.000 0.000 0.238 381 Q C 0.677 176.713 176.000 0.059 0.000 0.955 381 Q CA -0.481 55.354 55.803 0.052 0.000 0.906 381 Q CB 1.362 30.124 28.738 0.041 0.000 1.215 381 Q HN 0.212 nan 8.270 nan 0.000 0.478 382 L N 1.186 122.442 121.223 0.055 0.000 2.426 382 L HA 0.383 4.723 4.340 -0.000 0.000 0.271 382 L C -0.475 176.433 176.870 0.063 0.000 1.169 382 L CA -0.585 54.290 54.840 0.058 0.000 0.836 382 L CB 0.762 42.849 42.059 0.046 0.000 1.112 382 L HN 0.441 nan 8.230 nan 0.000 0.465 383 V N 2.011 121.972 119.914 0.078 0.000 2.525 383 V HA 0.802 4.922 4.120 -0.000 0.000 0.299 383 V C -0.033 176.089 176.094 0.048 0.000 1.034 383 V CA -0.198 62.155 62.300 0.088 0.000 0.863 383 V CB 1.413 33.342 31.823 0.176 0.000 0.999 383 V HN 0.733 nan 8.190 nan 0.000 0.423 384 G N 3.352 112.169 108.800 0.028 0.000 2.488 384 G HA2 0.601 4.561 3.960 -0.000 0.000 0.318 384 G HA3 0.601 4.561 3.960 -0.000 0.000 0.318 384 G C 0.850 175.743 174.900 -0.012 0.000 1.188 384 G CA -0.338 44.762 45.100 -0.001 0.000 0.944 384 G HN 2.353 nan 8.290 nan 0.000 0.495 385 G N -1.874 106.906 108.800 -0.034 0.000 2.160 385 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.251 385 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.251 385 G C 0.124 174.985 174.900 -0.064 0.000 1.008 385 G CA 0.303 45.379 45.100 -0.040 0.000 0.724 385 G HN 1.344 nan 8.290 nan 0.000 0.514 386 V N 0.265 120.114 119.914 -0.108 0.000 2.481 386 V HA 0.595 4.715 4.120 -0.000 0.000 0.286 386 V C -1.627 174.386 176.094 -0.135 0.000 1.042 386 V CA -2.087 60.100 62.300 -0.188 0.000 0.928 386 V CB 1.713 33.287 31.823 -0.416 0.000 0.986 386 V HN 0.153 nan 8.190 nan 0.000 0.462 387 P HA 0.402 nan 4.420 nan 0.000 0.282 387 P C -0.926 176.343 177.300 -0.052 0.000 1.249 387 P CA -0.411 62.647 63.100 -0.070 0.000 0.806 387 P CB 1.267 32.936 31.700 -0.052 0.000 0.984 388 V N 2.829 122.755 119.914 0.020 0.000 2.462 388 V HA 0.235 4.355 4.120 -0.000 0.000 0.288 388 V C 0.040 176.261 176.094 0.212 0.000 1.020 388 V CA -0.402 61.953 62.300 0.093 0.000 0.857 388 V CB 1.607 33.516 31.823 0.143 0.000 1.013 388 V HN 0.618 nan 8.190 nan 0.000 0.431 389 T N 3.664 118.286 114.554 0.113 0.000 2.899 389 T HA 0.590 4.939 4.350 -0.000 0.000 0.295 389 T C -0.342 174.382 174.700 0.039 0.000 1.033 389 T CA -0.391 61.783 62.100 0.123 0.000 1.084 389 T CB 1.606 70.510 68.868 0.060 0.000 0.979 389 T HN 0.466 nan 8.240 nan 0.000 0.532 390 L N 1.995 123.230 121.223 0.020 0.000 2.490 390 L HA 0.494 4.834 4.340 -0.000 0.000 0.256 390 L C -1.141 175.693 176.870 -0.061 0.000 1.089 390 L CA -0.562 54.157 54.840 -0.201 0.000 0.916 390 L CB 0.511 42.125 42.059 -0.743 0.000 1.188 390 L HN 0.517 nan 8.230 nan 0.000 0.476 391 N N 3.012 121.709 118.700 -0.005 0.000 2.514 391 N HA 0.798 5.538 4.740 -0.000 0.000 0.277 391 N C -0.463 175.083 175.510 0.060 0.000 1.126 391 N CA 0.333 53.399 53.050 0.027 0.000 0.978 391 N CB 1.656 40.162 38.487 0.031 0.000 1.106 391 N HN 0.725 nan 8.380 nan 0.000 0.461 392 A N 1.275 124.132 122.820 0.062 0.000 2.566 392 A HA 0.741 5.061 4.320 -0.000 0.000 0.292 392 A C -1.500 176.133 177.584 0.083 0.000 1.112 392 A CA -0.554 51.548 52.037 0.108 0.000 0.707 392 A CB 2.001 21.054 19.000 0.087 0.000 1.302 392 A HN 0.461 nan 8.150 nan 0.000 0.409 393 Q N 0.256 120.114 119.800 0.097 0.000 2.353 393 Q HA 0.649 4.988 4.340 -0.000 0.000 0.275 393 Q C -1.845 174.191 176.000 0.060 0.000 1.029 393 Q CA -0.143 55.697 55.803 0.063 0.000 0.848 393 Q CB 2.447 31.214 28.738 0.048 0.000 1.390 393 Q HN 0.792 nan 8.270 nan 0.000 0.401 394 T N 3.307 117.885 114.554 0.042 0.000 2.956 394 T HA 0.664 5.013 4.350 -0.000 0.000 0.312 394 T C -0.756 173.959 174.700 0.024 0.000 1.151 394 T CA -0.462 61.659 62.100 0.035 0.000 1.024 394 T CB 0.955 69.844 68.868 0.036 0.000 1.140 394 T HN 0.562 nan 8.240 nan 0.000 0.473 395 I N -0.415 120.167 120.570 0.020 0.000 2.785 395 I HA 0.831 5.001 4.170 -0.000 0.000 0.302 395 I C -0.659 175.466 176.117 0.014 0.000 1.069 395 I CA -0.836 60.474 61.300 0.016 0.000 1.045 395 I CB 1.841 39.849 38.000 0.013 0.000 1.236 395 I HN 0.309 nan 8.210 nan 0.000 0.429 396 D N 2.365 122.773 120.400 0.014 0.000 2.358 396 D HA 0.143 4.783 4.640 -0.000 0.000 0.244 396 D C 0.813 177.122 176.300 0.015 0.000 1.163 396 D CA -0.280 53.729 54.000 0.015 0.000 0.945 396 D CB 2.027 42.837 40.800 0.016 0.000 1.152 396 D HN 0.473 nan 8.370 nan 0.000 0.451 397 V N 2.070 121.995 119.914 0.017 0.000 2.759 397 V HA -0.160 3.960 4.120 -0.000 0.000 0.256 397 V C 1.503 177.608 176.094 0.018 0.000 1.080 397 V CA 1.437 63.749 62.300 0.019 0.000 1.101 397 V CB -0.536 31.302 31.823 0.025 0.000 0.698 397 V HN 0.451 nan 8.190 nan 0.000 0.477 398 N N 0.477 119.187 118.700 0.018 0.000 2.571 398 N HA -0.056 4.684 4.740 -0.000 0.000 0.189 398 N C 0.834 176.352 175.510 0.014 0.000 1.154 398 N CA 0.300 53.360 53.050 0.017 0.000 0.907 398 N CB -0.080 38.418 38.487 0.017 0.000 0.977 398 N HN 0.481 nan 8.380 nan 0.000 0.449 399 Q N -0.910 118.898 119.800 0.014 0.000 2.503 399 Q HA -0.228 4.112 4.340 -0.000 0.000 0.267 399 Q C -0.718 175.289 176.000 0.011 0.000 1.030 399 Q CA 0.789 56.599 55.803 0.012 0.000 1.041 399 Q CB -2.020 26.724 28.738 0.011 0.000 1.406 399 Q HN 0.625 nan 8.270 nan 0.000 0.524 400 E N 0.241 120.449 120.200 0.013 0.000 2.214 400 E HA 0.467 4.817 4.350 -0.000 0.000 0.274 400 E C 0.425 177.033 176.600 0.013 0.000 0.977 400 E CA 0.204 56.612 56.400 0.012 0.000 0.827 400 E CB 1.002 30.710 29.700 0.013 0.000 1.130 400 E HN 0.273 nan 8.360 nan 0.000 0.394 401 T N -0.591 113.971 114.554 0.013 0.000 2.880 401 T HA 0.652 5.002 4.350 -0.000 0.000 0.279 401 T C -0.392 174.317 174.700 0.016 0.000 0.990 401 T CA -0.702 61.407 62.100 0.015 0.000 0.938 401 T CB 1.271 70.147 68.868 0.014 0.000 1.206 401 T HN 0.369 nan 8.240 nan 0.000 0.573 402 S N -0.216 115.495 115.700 0.019 0.000 2.652 402 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 402 S C -1.729 172.885 174.600 0.022 0.000 1.172 402 S CA -0.981 57.230 58.200 0.020 0.000 1.009 402 S CB 1.213 64.425 63.200 0.021 0.000 1.094 402 S HN 0.695 nan 8.310 nan 0.000 0.471 403 D N 3.458 123.870 120.400 0.020 0.000 2.500 403 D HA 0.275 4.914 4.640 -0.000 0.000 0.219 403 D C 0.665 176.979 176.300 0.022 0.000 1.137 403 D CA -0.146 53.867 54.000 0.022 0.000 0.946 403 D CB 0.474 41.285 40.800 0.017 0.000 1.022 403 D HN 0.574 nan 8.370 nan 0.000 0.518 404 L N 1.273 122.513 121.223 0.027 0.000 2.557 404 L HA -0.146 4.193 4.340 -0.000 0.000 0.308 404 L C 1.055 177.939 176.870 0.024 0.000 1.283 404 L CA 0.767 55.623 54.840 0.027 0.000 0.847 404 L CB 0.322 42.400 42.059 0.032 0.000 1.088 404 L HN 0.198 nan 8.230 nan 0.000 0.537 405 D N 1.621 122.035 120.400 0.023 0.000 2.255 405 D HA 0.305 4.944 4.640 -0.000 0.000 0.249 405 D C -2.142 174.176 176.300 0.029 0.000 1.078 405 D CA -0.945 53.068 54.000 0.022 0.000 0.896 405 D CB 1.274 42.085 40.800 0.017 0.000 1.194 405 D HN 0.251 nan 8.370 nan 0.000 0.429 406 P HA 0.211 nan 4.420 nan 0.000 0.285 406 P C -0.924 176.411 177.300 0.060 0.000 1.259 406 P CA -0.458 62.667 63.100 0.042 0.000 0.794 406 P CB 0.944 32.665 31.700 0.034 0.000 0.940 407 S N 1.812 117.576 115.700 0.107 0.000 2.664 407 S HA 0.710 5.180 4.470 -0.000 0.000 0.304 407 S C -0.565 174.159 174.600 0.207 0.000 1.099 407 S CA -0.862 57.422 58.200 0.140 0.000 1.003 407 S CB 1.837 65.163 63.200 0.209 0.000 1.092 407 S HN 0.438 nan 8.310 nan 0.000 0.525 408 K N 0.287 120.741 120.400 0.089 0.000 2.501 408 K HA 0.623 4.943 4.320 -0.000 0.000 0.252 408 K C -0.937 175.571 176.600 -0.153 0.000 0.934 408 K CA -0.300 56.022 56.287 0.058 0.000 0.797 408 K CB 1.980 34.493 32.500 0.023 0.000 1.270 408 K HN 0.660 nan 8.250 nan 0.000 0.431 409 S N 2.054 117.600 115.700 -0.256 0.000 2.900 409 S HA 0.762 5.232 4.470 -0.000 0.000 0.320 409 S C -1.491 172.998 174.600 -0.184 0.000 1.130 409 S CA -0.574 57.410 58.200 -0.360 0.000 0.863 409 S CB 1.611 64.376 63.200 -0.725 0.000 1.295 409 S HN 0.304 nan 8.310 nan 0.000 0.596 410 V N 0.918 120.728 119.914 -0.174 0.000 3.007 410 V HA 0.524 4.644 4.120 -0.000 0.000 0.311 410 V C -0.067 175.970 176.094 -0.096 0.000 1.120 410 V CA -0.821 61.415 62.300 -0.107 0.000 0.980 410 V CB 1.768 33.537 31.823 -0.090 0.000 1.033 410 V HN 0.912 nan 8.190 nan 0.000 0.429 411 T N 3.245 117.756 114.554 -0.071 0.000 2.814 411 T HA 0.292 4.641 4.350 -0.000 0.000 0.297 411 T C 0.289 174.960 174.700 -0.049 0.000 0.956 411 T CA -0.120 61.949 62.100 -0.052 0.000 1.123 411 T CB 0.043 68.880 68.868 -0.051 0.000 0.902 411 T HN 0.709 nan 8.240 nan 0.000 0.528 412 R N 3.260 123.732 120.500 -0.046 0.000 2.861 412 R HA 0.107 4.447 4.340 -0.000 0.000 0.268 412 R C 1.102 177.386 176.300 -0.027 0.000 1.027 412 R CA -0.122 55.952 56.100 -0.042 0.000 1.163 412 R CB 0.191 30.466 30.300 -0.042 0.000 1.060 412 R HN 0.576 nan 8.270 nan 0.000 0.483 413 V N 1.488 121.387 119.914 -0.024 0.000 2.500 413 V HA -0.130 3.990 4.120 -0.000 0.000 0.243 413 V C 1.562 177.651 176.094 -0.008 0.000 1.039 413 V CA 1.847 64.138 62.300 -0.015 0.000 1.053 413 V CB -0.533 31.280 31.823 -0.017 0.000 0.695 413 V HN 0.935 nan 8.190 nan 0.000 0.463 414 D N -0.823 119.570 120.400 -0.012 0.000 2.348 414 D HA -0.116 4.524 4.640 -0.000 0.000 0.211 414 D C 1.427 177.727 176.300 -0.001 0.000 0.998 414 D CA 0.761 54.756 54.000 -0.008 0.000 0.873 414 D CB 0.304 41.095 40.800 -0.014 0.000 0.925 414 D HN 0.396 nan 8.370 nan 0.000 0.524 415 D N 0.310 120.708 120.400 -0.003 0.000 2.463 415 D HA 0.060 4.700 4.640 -0.000 0.000 0.237 415 D C 1.854 178.160 176.300 0.009 0.000 1.013 415 D CA 1.883 55.884 54.000 0.001 0.000 0.910 415 D CB 0.385 41.176 40.800 -0.014 0.000 1.080 415 D HN 0.272 nan 8.370 nan 0.000 0.498 416 G N 0.481 109.285 108.800 0.007 0.000 2.189 416 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.267 416 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.267 416 G C 0.310 175.216 174.900 0.009 0.000 0.975 416 G CA 0.729 45.838 45.100 0.015 0.000 0.644 416 G HN 0.365 nan 8.290 nan 0.000 0.537 417 V N 0.784 120.697 119.914 -0.002 0.000 2.472 417 V HA 0.742 4.862 4.120 -0.000 0.000 0.290 417 V C 0.592 176.679 176.094 -0.012 0.000 1.037 417 V CA -0.039 62.259 62.300 -0.003 0.000 0.908 417 V CB 1.744 33.559 31.823 -0.013 0.000 0.985 417 V HN 1.099 nan 8.190 nan 0.000 0.454 418 A N 3.766 126.597 122.820 0.019 0.000 2.316 418 A HA 0.647 4.967 4.320 -0.000 0.000 0.324 418 A C 0.199 177.837 177.584 0.090 0.000 1.375 418 A CA -0.419 51.635 52.037 0.028 0.000 0.882 418 A CB 0.253 19.317 19.000 0.108 0.000 1.152 418 A HN 0.763 nan 8.150 nan 0.000 0.512 419 S N 2.294 117.964 115.700 -0.050 0.000 2.489 419 S HA 0.671 5.141 4.470 -0.000 0.000 0.277 419 S C -0.388 174.150 174.600 -0.104 0.000 1.230 419 S CA -0.154 58.033 58.200 -0.021 0.000 1.053 419 S CB 0.225 63.370 63.200 -0.092 0.000 0.955 419 S HN 0.498 nan 8.310 nan 0.000 0.488 420 F N 0.849 120.684 119.950 -0.192 0.000 2.585 420 F HA 0.817 5.344 4.527 -0.001 0.000 0.350 420 F C 0.132 175.800 175.800 -0.219 0.000 1.074 420 F CA -1.112 56.768 58.000 -0.200 0.000 1.032 420 F CB 1.329 40.189 39.000 -0.234 0.000 1.330 420 F HN 0.235 nan 8.300 nan 0.000 0.495 421 V N 1.536 121.468 119.914 0.030 0.000 2.903 421 V HA 0.346 4.466 4.120 -0.000 0.000 0.289 421 V C -1.605 174.477 176.094 -0.020 0.000 1.355 421 V CA -0.752 61.516 62.300 -0.052 0.000 0.953 421 V CB 2.246 34.038 31.823 -0.052 0.000 1.102 421 V HN 0.516 nan 8.190 nan 0.000 0.435 422 L N 3.341 124.548 121.223 -0.027 0.000 2.362 422 L HA 0.675 5.015 4.340 -0.000 0.000 0.271 422 L C -0.087 176.804 176.870 0.035 0.000 1.002 422 L CA -0.648 54.198 54.840 0.009 0.000 0.818 422 L CB 1.574 43.637 42.059 0.006 0.000 1.298 422 L HN 0.468 nan 8.230 nan 0.000 0.420 423 N N 3.350 122.070 118.700 0.032 0.000 2.426 423 N HA 0.433 5.172 4.740 -0.000 0.000 0.257 423 N C -1.196 174.338 175.510 0.040 0.000 1.002 423 N CA -0.413 52.660 53.050 0.039 0.000 0.942 423 N CB 1.816 40.321 38.487 0.030 0.000 1.112 423 N HN 0.490 nan 8.380 nan 0.000 0.499 424 L N 3.644 124.894 121.223 0.045 0.000 2.282 424 L HA 0.359 4.699 4.340 -0.000 0.000 0.288 424 L C -2.039 174.846 176.870 0.025 0.000 1.033 424 L CA -1.844 53.016 54.840 0.033 0.000 0.807 424 L CB 1.261 43.336 42.059 0.026 0.000 1.209 424 L HN 0.183 nan 8.230 nan 0.000 0.423 425 P HA 0.009 nan 4.420 nan 0.000 0.259 425 P C 0.861 178.174 177.300 0.022 0.000 1.211 425 P CA 0.027 63.142 63.100 0.025 0.000 0.810 425 P CB 0.552 32.266 31.700 0.023 0.000 0.815 426 S N 3.257 118.976 115.700 0.031 0.000 2.545 426 S HA -0.315 4.155 4.470 -0.000 0.000 0.311 426 S C 1.934 176.550 174.600 0.027 0.000 1.239 426 S CA 1.858 60.080 58.200 0.037 0.000 1.200 426 S CB -1.962 61.276 63.200 0.064 0.000 1.217 426 S HN 0.608 nan 8.310 nan 0.000 0.441 427 G N 1.614 110.433 108.800 0.031 0.000 3.229 427 G HA2 0.331 4.291 3.960 -0.000 0.000 0.214 427 G HA3 0.331 4.291 3.960 -0.000 0.000 0.214 427 G C 0.129 175.037 174.900 0.014 0.000 1.256 427 G CA 0.237 45.353 45.100 0.027 0.000 1.042 427 G HN 0.513 nan 8.290 nan 0.000 0.497 428 V N -0.359 119.555 119.914 0.001 0.000 2.997 428 V HA 0.722 4.842 4.120 -0.000 0.000 0.311 428 V C 1.157 177.239 176.094 -0.020 0.000 1.066 428 V CA 0.617 62.913 62.300 -0.007 0.000 1.039 428 V CB 2.051 33.867 31.823 -0.012 0.000 1.081 428 V HN 0.459 nan 8.190 nan 0.000 0.467 429 T N 1.220 115.765 114.554 -0.016 0.000 3.482 429 T HA 0.274 4.623 4.350 -0.000 0.000 0.195 429 T C -0.051 174.644 174.700 -0.008 0.000 0.940 429 T CA 0.255 62.349 62.100 -0.010 0.000 1.044 429 T CB 0.152 69.022 68.868 0.004 0.000 1.209 429 T HN 0.541 nan 8.240 nan 0.000 0.318 430 V N 3.317 123.233 119.914 0.003 0.000 2.417 430 V HA 0.605 4.725 4.120 -0.000 0.000 0.291 430 V C -0.552 175.553 176.094 0.018 0.000 1.024 430 V CA -0.964 61.343 62.300 0.011 0.000 0.861 430 V CB 1.584 33.415 31.823 0.014 0.000 0.985 430 V HN 0.579 nan 8.190 nan 0.000 0.436 431 L N 4.247 125.488 121.223 0.030 0.000 2.307 431 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 431 L C -0.435 176.515 176.870 0.134 0.000 1.023 431 L CA -0.327 54.565 54.840 0.086 0.000 0.810 431 L CB 1.567 43.684 42.059 0.097 0.000 1.231 431 L HN 0.643 nan 8.230 nan 0.000 0.423 432 E N 6.202 126.478 120.200 0.127 0.000 2.129 432 E HA 0.291 4.641 4.350 -0.000 0.000 0.268 432 E C -1.229 175.477 176.600 0.176 0.000 0.900 432 E CA -0.363 56.089 56.400 0.087 0.000 0.755 432 E CB 1.693 31.409 29.700 0.027 0.000 1.117 432 E HN 0.419 nan 8.360 nan 0.000 0.410 433 F N 0.882 120.861 119.950 0.048 0.000 2.508 433 F HA 0.561 5.088 4.527 -0.001 0.000 0.325 433 F C -0.059 175.768 175.800 0.046 0.000 1.090 433 F CA -1.091 56.924 58.000 0.025 0.000 0.945 433 F CB 1.030 40.019 39.000 -0.018 0.000 1.156 433 F HN -0.010 nan 8.300 nan 0.000 0.463 434 N N 1.714 120.513 118.700 0.164 0.000 2.417 434 N HA 0.666 5.405 4.740 -0.000 0.000 0.300 434 N C -1.588 173.986 175.510 0.107 0.000 1.102 434 N CA -0.632 52.476 53.050 0.097 0.000 0.886 434 N CB 2.668 41.182 38.487 0.045 0.000 1.203 434 N HN 0.548 nan 8.380 nan 0.000 0.496 435 V N 1.416 121.380 119.914 0.084 0.000 2.668 435 V HA 0.397 4.517 4.120 -0.000 0.000 0.304 435 V C -0.735 175.373 176.094 0.023 0.000 1.071 435 V CA -0.665 61.646 62.300 0.019 0.000 0.894 435 V CB 2.200 34.040 31.823 0.027 0.000 1.008 435 V HN 0.837 nan 8.190 nan 0.000 0.425 436 K N 1.905 122.308 120.400 0.004 0.000 2.509 436 K HA 0.795 5.115 4.320 -0.000 0.000 0.266 436 K C -0.544 176.058 176.600 0.003 0.000 0.987 436 K CA -0.718 55.577 56.287 0.013 0.000 0.868 436 K CB 2.034 34.542 32.500 0.013 0.000 1.421 436 K HN 0.554 nan 8.250 nan 0.000 0.444 437 T N -1.129 113.418 114.554 -0.012 0.000 2.869 437 T HA 0.198 4.548 4.350 -0.000 0.000 0.295 437 T C -0.271 174.406 174.700 -0.039 0.000 0.987 437 T CA -0.458 61.604 62.100 -0.064 0.000 1.109 437 T CB 0.813 69.603 68.868 -0.130 0.000 0.932 437 T HN 0.582 nan 8.240 nan 0.000 0.518 438 D N 1.720 122.090 120.400 -0.051 0.000 2.755 438 D HA 0.390 5.030 4.640 -0.000 0.000 0.257 438 D C 0.805 177.086 176.300 -0.031 0.000 1.291 438 D CA -0.410 53.573 54.000 -0.029 0.000 0.836 438 D CB -0.290 40.501 40.800 -0.014 0.000 1.059 438 D HN 0.971 nan 8.370 nan 0.000 0.486 439 A N 1.504 124.299 122.820 -0.041 0.000 2.602 439 A HA -0.067 4.253 4.320 -0.000 0.000 0.257 439 A C -1.296 176.303 177.584 0.025 0.000 0.973 439 A CA -0.202 51.845 52.037 0.017 0.000 0.862 439 A CB 0.313 19.392 19.000 0.130 0.000 0.855 439 A HN 0.181 nan 8.150 nan 0.000 0.492 440 P HA -0.010 nan 4.420 nan 0.000 0.230 440 P C 0.504 177.820 177.300 0.025 0.000 1.168 440 P CA 1.232 64.341 63.100 0.015 0.000 0.793 440 P CB 0.208 31.915 31.700 0.012 0.000 0.851 441 D N -1.619 118.809 120.400 0.048 0.000 2.407 441 D HA 0.033 4.673 4.640 -0.000 0.000 0.208 441 D C 0.550 176.897 176.300 0.078 0.000 1.083 441 D CA -0.018 54.018 54.000 0.061 0.000 0.844 441 D CB -0.364 40.480 40.800 0.074 0.000 0.967 441 D HN 0.166 nan 8.370 nan 0.000 0.506 442 L N 1.765 123.034 121.223 0.075 0.000 2.331 442 L HA 0.315 4.654 4.340 -0.000 0.000 0.278 442 L C -2.200 174.637 176.870 -0.055 0.000 1.106 442 L CA -1.635 53.232 54.840 0.046 0.000 0.824 442 L CB 1.327 43.447 42.059 0.102 0.000 1.142 442 L HN -0.226 nan 8.230 nan 0.000 0.443 443 P HA 0.060 nan 4.420 nan 0.000 0.274 443 P C 0.349 177.543 177.300 -0.177 0.000 1.237 443 P CA -0.421 62.548 63.100 -0.218 0.000 0.793 443 P CB 0.810 32.264 31.700 -0.410 0.000 0.977 444 E N 1.581 121.707 120.200 -0.123 0.000 2.038 444 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 444 E C 1.420 177.963 176.600 -0.094 0.000 1.000 444 E CA 1.760 58.110 56.400 -0.084 0.000 0.803 444 E CB -0.295 29.368 29.700 -0.062 0.000 0.750 444 E HN 0.475 nan 8.360 nan 0.000 0.448 445 E N 0.263 120.391 120.200 -0.121 0.000 2.063 445 E HA -0.259 4.091 4.350 -0.000 0.000 0.221 445 E C 1.635 178.168 176.600 -0.112 0.000 1.052 445 E CA 2.067 58.396 56.400 -0.119 0.000 0.891 445 E CB -0.513 29.095 29.700 -0.153 0.000 0.792 445 E HN 0.372 nan 8.360 nan 0.000 0.482 446 N N 0.924 119.521 118.700 -0.172 0.000 2.626 446 N HA -0.063 4.677 4.740 -0.000 0.000 0.193 446 N C -0.074 175.420 175.510 -0.025 0.000 1.213 446 N CA 0.082 53.068 53.050 -0.106 0.000 0.914 446 N CB 0.126 38.513 38.487 -0.166 0.000 0.994 446 N HN 0.102 nan 8.380 nan 0.000 0.447 447 Q N 0.986 120.771 119.800 -0.025 0.000 2.361 447 Q HA 0.218 4.558 4.340 -0.000 0.000 0.276 447 Q C -0.108 175.919 176.000 0.045 0.000 1.022 447 Q CA -0.041 55.781 55.803 0.030 0.000 0.898 447 Q CB 0.800 29.540 28.738 0.003 0.000 1.246 447 Q HN 0.304 nan 8.270 nan 0.000 0.410 448 A N 4.368 127.242 122.820 0.090 0.000 2.320 448 A HA 0.541 4.860 4.320 -0.000 0.000 0.287 448 A C -0.031 177.586 177.584 0.054 0.000 1.181 448 A CA -0.458 51.628 52.037 0.083 0.000 0.831 448 A CB 0.400 19.485 19.000 0.141 0.000 1.102 448 A HN 0.734 nan 8.150 nan 0.000 0.513 449 R N 1.862 122.387 120.500 0.041 0.000 2.808 449 R HA 0.900 5.240 4.340 -0.000 0.000 0.272 449 R C -1.434 174.889 176.300 0.038 0.000 0.995 449 R CA -0.915 55.207 56.100 0.036 0.000 0.917 449 R CB 1.771 32.080 30.300 0.016 0.000 1.217 449 R HN 0.493 nan 8.270 nan 0.000 0.471 450 E N -0.010 120.228 120.200 0.063 0.000 2.390 450 E HA 0.490 4.840 4.350 -0.000 0.000 0.280 450 E C -1.264 175.381 176.600 0.076 0.000 0.992 450 E CA -0.728 55.709 56.400 0.061 0.000 0.790 450 E CB 2.544 32.388 29.700 0.240 0.000 1.248 450 E HN 0.869 nan 8.360 nan 0.000 0.447 451 G N 0.623 109.344 108.800 -0.132 0.000 2.612 451 G HA2 0.744 4.704 3.960 -0.000 0.000 0.298 451 G HA3 0.744 4.704 3.960 -0.000 0.000 0.298 451 G C -1.627 172.995 174.900 -0.463 0.000 1.336 451 G CA -0.327 44.694 45.100 -0.133 0.000 0.953 451 G HN 0.298 nan 8.290 nan 0.000 0.482 452 Y N -0.685 119.253 120.300 -0.603 0.000 2.655 452 Y HA 0.732 5.282 4.550 -0.001 0.000 0.336 452 Y C 0.063 175.556 175.900 -0.678 0.000 1.154 452 Y CA -1.210 56.458 58.100 -0.721 0.000 1.055 452 Y CB 2.687 40.516 38.460 -1.051 0.000 1.295 452 Y HN 0.607 nan 8.280 nan 0.000 0.465 453 R N 1.363 121.702 120.500 -0.267 0.000 2.604 453 R HA 0.892 5.232 4.340 -0.000 0.000 0.281 453 R C -2.030 174.243 176.300 -0.044 0.000 1.020 453 R CA -0.639 55.382 56.100 -0.130 0.000 0.899 453 R CB 1.864 32.109 30.300 -0.091 0.000 1.205 453 R HN 0.835 nan 8.270 nan 0.000 0.450 454 A N 4.650 127.486 122.820 0.026 0.000 2.401 454 A HA 0.781 5.101 4.320 -0.000 0.000 0.310 454 A C -1.185 176.402 177.584 0.004 0.000 1.075 454 A CA -0.751 51.273 52.037 -0.021 0.000 0.746 454 A CB 1.271 20.201 19.000 -0.116 0.000 1.277 454 A HN 0.638 nan 8.150 nan 0.000 0.425 455 I N 0.646 121.284 120.570 0.114 0.000 2.722 455 I HA 0.557 4.727 4.170 -0.000 0.000 0.295 455 I C 0.382 176.562 176.117 0.105 0.000 1.161 455 I CA -0.456 60.920 61.300 0.127 0.000 1.032 455 I CB 2.284 40.396 38.000 0.186 0.000 1.244 455 I HN 0.781 nan 8.210 nan 0.000 0.421 456 A N 4.763 127.586 122.820 0.005 0.000 2.409 456 A HA 0.198 4.518 4.320 -0.000 0.000 0.262 456 A C -0.487 177.090 177.584 -0.012 0.000 1.113 456 A CA -0.051 51.961 52.037 -0.042 0.000 0.790 456 A CB -0.101 18.847 19.000 -0.086 0.000 1.046 456 A HN 0.784 nan 8.150 nan 0.000 0.496 457 Y N 3.762 123.955 120.300 -0.179 0.000 2.781 457 Y HA 0.054 4.604 4.550 -0.000 0.000 0.365 457 Y C 0.195 176.076 175.900 -0.032 0.000 1.291 457 Y CA -0.344 57.680 58.100 -0.127 0.000 1.772 457 Y CB -0.190 38.231 38.460 -0.066 0.000 1.361 457 Y HN 0.665 nan 8.280 nan 0.000 0.484 458 S N 4.161 120.042 115.700 0.303 0.000 2.488 458 S HA 0.172 4.641 4.470 -0.000 0.000 0.278 458 S C -0.142 174.672 174.600 0.357 0.000 1.259 458 S CA -0.520 57.833 58.200 0.254 0.000 1.061 458 S CB 1.292 64.564 63.200 0.119 0.000 0.910 458 S HN 0.580 nan 8.310 nan 0.000 0.491 459 S N 2.004 117.884 115.700 0.299 0.000 2.649 459 S HA 0.322 4.792 4.470 -0.000 0.000 0.274 459 S C 0.303 174.903 174.600 -0.001 0.000 1.176 459 S CA -0.673 57.603 58.200 0.127 0.000 0.988 459 S CB 0.903 64.093 63.200 -0.018 0.000 1.071 459 S HN 0.637 nan 8.310 nan 0.000 0.478 460 L N 4.296 125.505 121.223 -0.022 0.000 2.275 460 L HA 0.117 4.457 4.340 -0.000 0.000 0.215 460 L C 1.983 178.761 176.870 -0.154 0.000 1.119 460 L CA 1.528 56.333 54.840 -0.058 0.000 0.790 460 L CB -0.146 41.890 42.059 -0.038 0.000 0.919 460 L HN 0.666 nan 8.230 nan 0.000 0.443 461 S N -0.447 115.116 115.700 -0.227 0.000 2.595 461 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 461 S C 0.978 175.312 174.600 -0.444 0.000 0.974 461 S CA 0.315 58.277 58.200 -0.396 0.000 0.942 461 S CB -0.187 62.775 63.200 -0.398 0.000 0.766 461 S HN 0.494 nan 8.310 nan 0.000 0.536 462 Q N -0.001 119.586 119.800 -0.356 0.000 2.348 462 Q HA -0.177 4.162 4.340 -0.000 0.000 0.221 462 Q C 0.250 175.728 176.000 -0.869 0.000 0.735 462 Q CA 0.911 56.461 55.803 -0.422 0.000 1.351 462 Q CB -1.991 26.622 28.738 -0.209 0.000 1.640 462 Q HN 0.588 nan 8.270 nan 0.000 0.667 463 S N -0.293 114.947 115.700 -0.766 0.000 2.525 463 S HA 0.633 5.102 4.470 -0.000 0.000 0.278 463 S C -0.600 173.476 174.600 -0.873 0.000 1.234 463 S CA -0.396 57.429 58.200 -0.625 0.000 1.058 463 S CB 0.555 63.586 63.200 -0.282 0.000 0.983 463 S HN 0.211 nan 8.310 nan 0.000 0.495 464 Y N 1.985 122.250 120.300 -0.058 0.000 2.818 464 Y HA 0.802 5.352 4.550 -0.000 0.000 0.322 464 Y C -0.697 175.243 175.900 0.065 0.000 1.323 464 Y CA -1.273 56.699 58.100 -0.214 0.000 1.090 464 Y CB 0.909 39.248 38.460 -0.201 0.000 1.328 464 Y HN 0.632 nan 8.280 nan 0.000 0.482 465 L N 0.688 122.083 121.223 0.288 0.000 2.506 465 L HA 0.625 4.965 4.340 -0.000 0.000 0.257 465 L C -2.395 174.697 176.870 0.370 0.000 0.964 465 L CA -0.792 54.243 54.840 0.325 0.000 0.836 465 L CB 2.321 44.627 42.059 0.412 0.000 1.384 465 L HN 0.590 nan 8.230 nan 0.000 0.410 466 Y N 5.557 125.949 120.300 0.153 0.000 2.315 466 Y HA 0.640 5.190 4.550 -0.001 0.000 0.324 466 Y C -1.233 174.722 175.900 0.091 0.000 1.062 466 Y CA -1.956 56.225 58.100 0.134 0.000 1.159 466 Y CB 1.275 39.801 38.460 0.110 0.000 1.145 466 Y HN 0.625 nan 8.280 nan 0.000 0.442 467 I N 2.911 123.759 120.570 0.463 0.000 2.603 467 I HA 0.831 5.000 4.170 -0.000 0.000 0.300 467 I C -1.165 175.052 176.117 0.166 0.000 1.017 467 I CA -0.446 60.913 61.300 0.098 0.000 1.098 467 I CB 2.422 40.475 38.000 0.088 0.000 1.279 467 I HN 0.442 nan 8.210 nan 0.000 0.437 468 D N 3.617 124.043 120.400 0.044 0.000 2.825 468 D HA 0.676 5.316 4.640 -0.000 0.000 0.327 468 D C -2.066 174.477 176.300 0.405 0.000 1.277 468 D CA -0.181 54.005 54.000 0.310 0.000 0.950 468 D CB 1.947 42.730 40.800 -0.028 0.000 1.438 468 D HN 0.842 nan 8.370 nan 0.000 0.526 469 W N -0.740 120.498 121.300 -0.103 0.000 3.173 469 W HA 0.605 5.264 4.660 -0.001 0.000 0.313 469 W C -1.985 174.479 176.519 -0.092 0.000 1.228 469 W CA -0.699 56.581 57.345 -0.108 0.000 1.185 469 W CB 0.466 29.867 29.460 -0.099 0.000 1.390 469 W HN 0.286 nan 8.180 nan 0.000 0.568 470 T N 2.373 116.758 114.554 -0.283 0.000 2.916 470 T HA 0.534 4.884 4.350 -0.000 0.000 0.292 470 T C -1.928 172.622 174.700 -0.251 0.000 1.055 470 T CA -0.534 61.296 62.100 -0.451 0.000 1.009 470 T CB 1.938 70.614 68.868 -0.320 0.000 1.118 470 T HN 0.586 nan 8.240 nan 0.000 0.497 471 D N 0.748 120.978 120.400 -0.283 0.000 2.795 471 D HA 0.102 4.741 4.640 -0.000 0.000 0.206 471 D C -0.106 176.065 176.300 -0.215 0.000 1.278 471 D CA -0.436 53.430 54.000 -0.222 0.000 0.839 471 D CB 1.273 41.973 40.800 -0.167 0.000 1.700 471 D HN 0.466 nan 8.370 nan 0.000 0.549 472 N N 1.818 120.441 118.700 -0.128 0.000 2.512 472 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 472 N C 0.126 175.761 175.510 0.209 0.000 1.073 472 N CA 0.820 53.911 53.050 0.068 0.000 0.911 472 N CB -0.424 38.150 38.487 0.145 0.000 0.964 472 N HN 0.524 nan 8.380 nan 0.000 0.447 473 H N -0.865 118.191 119.070 -0.023 0.000 2.573 473 H HA 0.348 4.904 4.556 -0.000 0.000 0.351 473 H C 0.582 175.912 175.328 0.004 0.000 1.163 473 H CA -1.312 54.731 56.048 -0.009 0.000 1.205 473 H CB 1.607 31.367 29.762 -0.002 0.000 1.605 473 H HN -0.011 nan 8.280 nan 0.000 0.525 474 K N 0.722 121.201 120.400 0.131 0.000 2.585 474 K HA 0.209 4.528 4.320 -0.000 0.000 0.194 474 K C 0.058 176.697 176.600 0.066 0.000 1.037 474 K CA 0.743 57.079 56.287 0.082 0.000 0.964 474 K CB 0.368 32.913 32.500 0.075 0.000 0.787 474 K HN 0.455 nan 8.250 nan 0.000 0.488 475 A N 1.393 124.251 122.820 0.063 0.000 2.459 475 A HA 0.460 4.780 4.320 -0.000 0.000 0.296 475 A C -1.032 176.555 177.584 0.005 0.000 1.039 475 A CA -0.986 51.063 52.037 0.019 0.000 0.698 475 A CB 1.083 20.093 19.000 0.016 0.000 1.261 475 A HN 0.203 nan 8.150 nan 0.000 0.405 476 L N 3.204 124.406 121.223 -0.036 0.000 2.315 476 L HA 0.310 4.649 4.340 -0.000 0.000 0.283 476 L C -0.372 176.472 176.870 -0.043 0.000 1.089 476 L CA -0.281 54.529 54.840 -0.049 0.000 0.833 476 L CB 0.182 42.196 42.059 -0.075 0.000 1.170 476 L HN 0.576 nan 8.230 nan 0.000 0.442 477 L N 3.732 124.948 121.223 -0.011 0.000 2.416 477 L HA 0.184 4.523 4.340 -0.000 0.000 0.272 477 L C 0.538 177.392 176.870 -0.028 0.000 1.161 477 L CA -0.258 54.581 54.840 -0.002 0.000 0.845 477 L CB 1.029 43.109 42.059 0.035 0.000 1.119 477 L HN 0.329 nan 8.230 nan 0.000 0.464 478 V N 3.686 123.581 119.914 -0.031 0.000 2.740 478 V HA 0.285 4.405 4.120 -0.000 0.000 0.303 478 V C 1.182 177.257 176.094 -0.032 0.000 1.054 478 V CA 1.667 63.942 62.300 -0.042 0.000 1.106 478 V CB 0.867 32.675 31.823 -0.025 0.000 0.957 478 V HN 1.062 nan 8.190 nan 0.000 0.486 479 G N 3.873 112.639 108.800 -0.058 0.000 2.284 479 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.230 479 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.230 479 G C 0.342 175.226 174.900 -0.028 0.000 1.021 479 G CA 0.307 45.387 45.100 -0.034 0.000 0.619 479 G HN 0.683 nan 8.290 nan 0.000 0.510 480 E N 0.220 120.397 120.200 -0.038 0.000 2.605 480 E HA 0.449 4.798 4.350 -0.000 0.000 0.255 480 E C -0.319 176.227 176.600 -0.090 0.000 1.369 480 E CA -0.271 56.131 56.400 0.004 0.000 1.017 480 E CB 0.278 29.975 29.700 -0.006 0.000 1.086 480 E HN 0.477 nan 8.360 nan 0.000 0.605 481 H N 0.691 119.732 119.070 -0.049 0.000 2.924 481 H HA 0.218 4.774 4.556 -0.001 0.000 0.333 481 H C -0.999 174.292 175.328 -0.062 0.000 0.979 481 H CA -0.475 55.534 56.048 -0.064 0.000 1.326 481 H CB 0.969 30.700 29.762 -0.052 0.000 1.600 481 H HN 0.264 nan 8.280 nan 0.000 0.520 482 L N 4.265 125.471 121.223 -0.028 0.000 2.295 482 L HA 0.142 4.482 4.340 -0.000 0.000 0.288 482 L C 0.006 176.865 176.870 -0.020 0.000 1.079 482 L CA -0.387 54.432 54.840 -0.035 0.000 0.830 482 L CB -0.035 41.931 42.059 -0.155 0.000 1.200 482 L HN 0.459 nan 8.230 nan 0.000 0.438 483 N N 5.437 124.158 118.700 0.034 0.000 2.408 483 N HA 0.319 5.059 4.740 -0.000 0.000 0.257 483 N C -0.918 174.621 175.510 0.049 0.000 1.064 483 N CA -0.173 52.887 53.050 0.017 0.000 0.952 483 N CB 0.756 39.253 38.487 0.017 0.000 1.093 483 N HN 0.572 nan 8.380 nan 0.000 0.490 484 I N 3.581 124.147 120.570 -0.008 0.000 2.447 484 I HA 0.425 4.595 4.170 -0.000 0.000 0.287 484 I C -1.319 174.763 176.117 -0.059 0.000 1.023 484 I CA -0.969 60.339 61.300 0.013 0.000 1.083 484 I CB 0.832 38.791 38.000 -0.069 0.000 1.245 484 I HN 0.286 nan 8.210 nan 0.000 0.434 485 I N 8.613 129.144 120.570 -0.065 0.000 2.301 485 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 485 I C 0.044 176.042 176.117 -0.197 0.000 1.046 485 I CA -0.660 60.552 61.300 -0.147 0.000 1.282 485 I CB 1.125 38.992 38.000 -0.221 0.000 1.409 485 I HN 0.256 nan 8.210 nan 0.000 0.484 486 V N 6.051 125.839 119.914 -0.210 0.000 2.322 486 V HA 0.273 4.392 4.120 -0.000 0.000 0.258 486 V C 0.527 176.514 176.094 -0.178 0.000 1.074 486 V CA -0.624 61.518 62.300 -0.264 0.000 0.909 486 V CB 0.011 31.487 31.823 -0.580 0.000 1.090 486 V HN 0.821 nan 8.190 nan 0.000 0.486 487 T N 2.864 117.355 114.554 -0.104 0.000 2.853 487 T HA 0.406 4.756 4.350 -0.000 0.000 0.317 487 T C -2.109 172.632 174.700 0.068 0.000 1.059 487 T CA -2.057 60.046 62.100 0.004 0.000 0.954 487 T CB 1.716 70.549 68.868 -0.059 0.000 0.994 487 T HN 0.372 nan 8.240 nan 0.000 0.479 488 P HA 0.089 nan 4.420 nan 0.000 0.241 488 P C 0.395 177.734 177.300 0.065 0.000 1.191 488 P CA -0.147 62.926 63.100 -0.044 0.000 0.771 488 P CB -0.005 31.579 31.700 -0.193 0.000 0.929 489 K N 0.767 121.241 120.400 0.122 0.000 2.483 489 K HA -0.250 4.069 4.320 -0.000 0.000 0.253 489 K C 0.408 177.113 176.600 0.175 0.000 1.039 489 K CA 1.328 57.708 56.287 0.154 0.000 1.115 489 K CB -0.280 32.329 32.500 0.182 0.000 0.738 489 K HN 0.082 nan 8.250 nan 0.000 0.445 490 S N 0.254 116.040 115.700 0.144 0.000 1.289 490 S HA -0.133 4.337 4.470 -0.000 0.000 0.253 490 S C -2.474 172.152 174.600 0.043 0.000 0.595 490 S CA 0.262 58.531 58.200 0.115 0.000 1.069 490 S CB -2.054 61.276 63.200 0.216 0.000 0.855 490 S HN 0.815 nan 8.310 nan 0.000 0.490 491 P HA -0.106 nan 4.420 nan 0.000 0.255 491 P C 1.193 178.637 177.300 0.241 0.000 1.123 491 P CA 1.288 64.439 63.100 0.085 0.000 0.766 491 P CB -0.633 31.197 31.700 0.217 0.000 0.705 492 Y N 3.151 123.417 120.300 -0.056 0.000 2.271 492 Y HA -0.158 4.392 4.550 -0.001 0.000 0.284 492 Y C 0.715 176.611 175.900 -0.006 0.000 1.189 492 Y CA 0.375 58.458 58.100 -0.029 0.000 1.229 492 Y CB -0.178 38.261 38.460 -0.034 0.000 0.973 492 Y HN 0.172 nan 8.280 nan 0.000 0.537 493 I N 0.719 121.465 120.570 0.294 0.000 3.191 493 I HA 0.052 4.222 4.170 -0.000 0.000 0.313 493 I C -0.418 175.748 176.117 0.082 0.000 1.193 493 I CA -0.802 60.468 61.300 -0.050 0.000 0.968 493 I CB 2.107 39.843 38.000 -0.440 0.000 1.262 493 I HN 0.046 nan 8.210 nan 0.000 0.456 494 D N 1.296 121.704 120.400 0.014 0.000 2.402 494 D HA 0.016 4.655 4.640 -0.000 0.000 0.216 494 D C 0.326 176.636 176.300 0.016 0.000 1.128 494 D CA -0.138 53.879 54.000 0.029 0.000 0.833 494 D CB 0.186 40.992 40.800 0.010 0.000 0.971 494 D HN 0.071 nan 8.370 nan 0.000 0.503 495 K N 1.024 121.434 120.400 0.017 0.000 3.077 495 K HA 0.164 4.483 4.320 -0.000 0.000 0.269 495 K C 0.045 176.649 176.600 0.006 0.000 0.973 495 K CA -0.300 55.989 56.287 0.004 0.000 1.162 495 K CB -0.979 31.517 32.500 -0.006 0.000 1.079 495 K HN 0.344 nan 8.250 nan 0.000 0.456 496 I N 0.082 120.650 120.570 -0.004 0.000 2.533 496 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 496 I C 1.928 177.971 176.117 -0.124 0.000 1.109 496 I CA 0.165 61.434 61.300 -0.053 0.000 1.412 496 I CB 1.014 38.918 38.000 -0.161 0.000 1.396 496 I HN 0.058 nan 8.210 nan 0.000 0.543 497 T N 4.609 119.096 114.554 -0.111 0.000 2.739 497 T HA 0.066 4.416 4.350 -0.000 0.000 0.246 497 T C 0.344 174.839 174.700 -0.341 0.000 1.058 497 T CA 1.013 63.032 62.100 -0.135 0.000 1.184 497 T CB -0.055 68.900 68.868 0.146 0.000 0.887 497 T HN 0.633 nan 8.240 nan 0.000 0.408 498 H N -1.074 117.981 119.070 -0.024 0.000 2.717 498 H HA 0.498 5.053 4.556 -0.001 0.000 0.366 498 H C -1.457 173.773 175.328 -0.162 0.000 1.132 498 H CA -0.780 55.240 56.048 -0.046 0.000 1.180 498 H CB 1.115 30.928 29.762 0.085 0.000 1.678 498 H HN 0.259 nan 8.280 nan 0.000 0.537 499 Y N 1.515 121.903 120.300 0.146 0.000 2.304 499 Y HA 0.238 4.788 4.550 -0.000 0.000 0.328 499 Y C 0.197 176.104 175.900 0.011 0.000 1.123 499 Y CA -0.417 57.723 58.100 0.068 0.000 1.218 499 Y CB 0.709 39.181 38.460 0.020 0.000 1.207 499 Y HN 0.544 nan 8.280 nan 0.000 0.495 500 N N 3.396 122.081 118.700 -0.026 0.000 2.346 500 N HA 0.223 4.963 4.740 -0.000 0.000 0.289 500 N C -1.185 174.199 175.510 -0.210 0.000 1.027 500 N CA -0.756 52.136 53.050 -0.262 0.000 0.864 500 N CB 1.928 40.000 38.487 -0.693 0.000 1.370 500 N HN 0.672 nan 8.380 nan 0.000 0.481 501 Y N 0.305 120.553 120.300 -0.087 0.000 2.654 501 Y HA 0.868 5.417 4.550 -0.000 0.000 0.328 501 Y C -0.857 175.128 175.900 0.141 0.000 1.174 501 Y CA -1.348 56.762 58.100 0.016 0.000 1.293 501 Y CB 1.019 39.484 38.460 0.008 0.000 1.464 501 Y HN 0.285 nan 8.280 nan 0.000 0.559 502 L N 1.773 123.146 121.223 0.250 0.000 2.949 502 L HA 0.422 4.761 4.340 -0.000 0.000 0.258 502 L C -2.002 175.014 176.870 0.244 0.000 0.941 502 L CA -0.623 54.346 54.840 0.215 0.000 1.053 502 L CB 1.296 43.512 42.059 0.263 0.000 1.550 502 L HN 0.728 nan 8.230 nan 0.000 0.493 503 I N 5.580 126.314 120.570 0.272 0.000 2.382 503 I HA 0.461 4.630 4.170 -0.000 0.000 0.286 503 I C -0.722 175.479 176.117 0.140 0.000 1.002 503 I CA -0.775 60.657 61.300 0.219 0.000 1.135 503 I CB 1.469 39.652 38.000 0.306 0.000 1.288 503 I HN 0.310 nan 8.210 nan 0.000 0.448 504 L N 4.383 125.664 121.223 0.096 0.000 2.400 504 L HA 0.685 5.025 4.340 -0.000 0.000 0.264 504 L C 0.224 177.130 176.870 0.060 0.000 1.061 504 L CA -0.608 54.272 54.840 0.066 0.000 0.799 504 L CB 1.362 43.465 42.059 0.072 0.000 1.240 504 L HN 0.612 nan 8.230 nan 0.000 0.461 505 S N 0.215 115.947 115.700 0.054 0.000 2.581 505 S HA 0.350 4.819 4.470 -0.000 0.000 0.306 505 S C -1.217 173.430 174.600 0.080 0.000 1.080 505 S CA -0.823 57.415 58.200 0.065 0.000 0.925 505 S CB 0.111 63.340 63.200 0.048 0.000 1.128 505 S HN 0.594 nan 8.310 nan 0.000 0.451 506 K N 3.084 123.550 120.400 0.109 0.000 3.619 506 K HA -0.169 4.150 4.320 -0.000 0.000 0.275 506 K C 0.927 177.591 176.600 0.105 0.000 0.993 506 K CA 0.960 57.327 56.287 0.133 0.000 0.787 506 K CB -1.702 30.887 32.500 0.149 0.000 1.431 506 K HN 1.771 nan 8.250 nan 0.000 0.451 507 G N -0.027 108.826 108.800 0.088 0.000 2.205 507 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.269 507 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.269 507 G C -0.051 174.869 174.900 0.033 0.000 0.977 507 G CA 1.197 46.330 45.100 0.054 0.000 0.652 507 G HN 0.400 nan 8.290 nan 0.000 0.539 508 K N -0.298 120.125 120.400 0.037 0.000 2.443 508 K HA 0.572 4.891 4.320 -0.000 0.000 0.252 508 K C 0.484 177.086 176.600 0.003 0.000 0.933 508 K CA -1.031 55.265 56.287 0.015 0.000 0.792 508 K CB 1.638 34.145 32.500 0.011 0.000 1.185 508 K HN 0.181 nan 8.250 nan 0.000 0.425 509 I N 5.294 125.858 120.570 -0.011 0.000 2.683 509 I HA -0.053 4.117 4.170 -0.000 0.000 0.286 509 I C 1.204 177.272 176.117 -0.081 0.000 1.175 509 I CA 0.598 61.882 61.300 -0.027 0.000 1.429 509 I CB 0.185 38.153 38.000 -0.055 0.000 1.371 509 I HN 0.671 nan 8.210 nan 0.000 0.569 510 I N 2.020 122.519 120.570 -0.118 0.000 4.592 510 I HA 0.270 4.439 4.170 -0.000 0.000 0.329 510 I C 0.248 176.082 176.117 -0.471 0.000 1.309 510 I CA -0.168 60.946 61.300 -0.311 0.000 1.243 510 I CB 0.271 38.022 38.000 -0.415 0.000 1.241 510 I HN 0.474 nan 8.210 nan 0.000 0.434 511 H N 1.995 121.189 119.070 0.208 0.000 2.928 511 H HA 0.705 5.260 4.556 -0.001 0.000 0.371 511 H C -1.403 174.178 175.328 0.421 0.000 1.186 511 H CA -0.647 55.605 56.048 0.339 0.000 1.134 511 H CB 2.786 32.723 29.762 0.293 0.000 1.824 511 H HN 0.169 nan 8.280 nan 0.000 0.554 512 F N -1.651 118.299 119.950 -0.001 0.000 2.746 512 F HA 0.600 5.127 4.527 -0.001 0.000 0.311 512 F C -0.682 174.748 175.800 -0.617 0.000 1.135 512 F CA -0.671 57.064 58.000 -0.443 0.000 0.954 512 F CB 1.351 40.246 39.000 -0.175 0.000 1.276 512 F HN 0.867 nan 8.300 nan 0.000 0.440 513 G N 0.459 108.519 108.800 -1.235 0.000 2.427 513 G HA2 0.569 4.529 3.960 -0.000 0.000 0.306 513 G HA3 0.569 4.529 3.960 -0.000 0.000 0.306 513 G C -2.020 172.684 174.900 -0.326 0.000 1.280 513 G CA -0.648 44.025 45.100 -0.712 0.000 0.837 513 G HN 0.826 nan 8.290 nan 0.000 0.482 514 T N 0.829 115.361 114.554 -0.037 0.000 3.172 514 T HA 0.593 4.943 4.350 -0.000 0.000 0.320 514 T C -0.980 173.785 174.700 0.108 0.000 1.085 514 T CA -0.719 61.398 62.100 0.027 0.000 1.052 514 T CB 1.578 70.375 68.868 -0.118 0.000 1.107 514 T HN 0.496 nan 8.240 nan 0.000 0.458 515 R N 1.999 122.605 120.500 0.177 0.000 2.460 515 R HA 0.467 4.807 4.340 -0.000 0.000 0.303 515 R C 0.028 176.474 176.300 0.242 0.000 0.968 515 R CA -0.992 55.195 56.100 0.145 0.000 0.889 515 R CB 1.152 31.485 30.300 0.056 0.000 1.123 515 R HN 0.721 nan 8.270 nan 0.000 0.455 516 E N 1.957 122.289 120.200 0.220 0.000 2.392 516 E HA -0.007 4.343 4.350 -0.000 0.000 0.264 516 E C -0.410 176.192 176.600 0.003 0.000 1.024 516 E CA -0.208 56.298 56.400 0.177 0.000 0.903 516 E CB 0.803 30.592 29.700 0.150 0.000 0.963 516 E HN 0.140 nan 8.360 nan 0.000 0.432 517 K N 4.497 124.865 120.400 -0.054 0.000 2.322 517 K HA 0.071 4.390 4.320 -0.000 0.000 0.283 517 K C -0.876 175.785 176.600 0.101 0.000 1.042 517 K CA -0.417 55.866 56.287 -0.006 0.000 0.958 517 K CB 0.286 32.667 32.500 -0.198 0.000 0.984 517 K HN 0.423 nan 8.250 nan 0.000 0.473 518 F N 3.377 123.387 119.950 0.101 0.000 2.502 518 F HA -0.010 4.517 4.527 -0.001 0.000 0.361 518 F C 1.789 177.592 175.800 0.005 0.000 1.157 518 F CA 0.067 58.088 58.000 0.034 0.000 1.096 518 F CB -0.562 38.447 39.000 0.015 0.000 1.141 518 F HN 0.564 nan 8.300 nan 0.000 0.579 519 S N 1.731 117.547 115.700 0.194 0.000 2.390 519 S HA -0.322 4.147 4.470 -0.000 0.000 0.234 519 S C 1.573 176.205 174.600 0.054 0.000 1.063 519 S CA 1.948 60.198 58.200 0.082 0.000 1.108 519 S CB -0.416 62.813 63.200 0.049 0.000 0.975 519 S HN 0.768 nan 8.310 nan 0.000 0.442 520 D N 3.162 123.584 120.400 0.037 0.000 1.971 520 D HA 0.111 4.751 4.640 -0.000 0.000 0.253 520 D C 1.068 177.374 176.300 0.010 0.000 1.019 520 D CA 0.985 54.987 54.000 0.003 0.000 0.947 520 D CB -1.235 39.544 40.800 -0.036 0.000 1.256 520 D HN 0.437 nan 8.370 nan 0.000 0.493 521 A N -0.374 122.440 122.820 -0.010 0.000 2.409 521 A HA 0.287 4.607 4.320 -0.000 0.000 0.246 521 A C 1.625 179.187 177.584 -0.037 0.000 1.099 521 A CA 0.544 52.544 52.037 -0.061 0.000 0.789 521 A CB 0.198 19.105 19.000 -0.156 0.000 1.053 521 A HN 0.377 nan 8.150 nan 0.000 0.503 522 S N -0.789 114.855 115.700 -0.093 0.000 2.436 522 S HA -0.039 4.430 4.470 -0.000 0.000 0.208 522 S C 0.672 175.286 174.600 0.023 0.000 1.063 522 S CA 1.598 59.792 58.200 -0.009 0.000 1.120 522 S CB -0.725 62.508 63.200 0.054 0.000 1.053 522 S HN 0.844 nan 8.310 nan 0.000 0.407 523 Y N 2.059 122.377 120.300 0.030 0.000 2.301 523 Y HA 0.637 5.186 4.550 -0.000 0.000 0.325 523 Y C 0.255 176.139 175.900 -0.028 0.000 1.203 523 Y CA -1.005 57.071 58.100 -0.040 0.000 1.255 523 Y CB 0.336 38.753 38.460 -0.071 0.000 1.232 523 Y HN 0.518 nan 8.280 nan 0.000 0.501 524 Q N 0.885 120.701 119.800 0.028 0.000 3.022 524 Q HA 0.748 5.088 4.340 -0.000 0.000 0.313 524 Q C -1.315 174.662 176.000 -0.039 0.000 1.018 524 Q CA -1.186 54.632 55.803 0.024 0.000 0.799 524 Q CB 1.683 30.340 28.738 -0.135 0.000 1.498 524 Q HN 0.691 nan 8.270 nan 0.000 0.494 525 S N 0.287 115.962 115.700 -0.042 0.000 2.549 525 S HA 0.615 5.085 4.470 -0.000 0.000 0.297 525 S C -0.246 174.274 174.600 -0.132 0.000 1.115 525 S CA -0.736 57.424 58.200 -0.066 0.000 1.059 525 S CB 0.724 63.921 63.200 -0.006 0.000 1.046 525 S HN 0.427 nan 8.310 nan 0.000 0.506 526 I N 2.731 123.210 120.570 -0.152 0.000 2.389 526 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 526 I C -0.256 175.762 176.117 -0.165 0.000 0.999 526 I CA -0.539 60.653 61.300 -0.181 0.000 1.129 526 I CB 1.256 39.113 38.000 -0.240 0.000 1.288 526 I HN 0.506 nan 8.210 nan 0.000 0.444 527 N N 7.610 126.230 118.700 -0.133 0.000 2.589 527 N HA 0.367 5.107 4.740 -0.000 0.000 0.232 527 N C -1.024 174.415 175.510 -0.119 0.000 1.015 527 N CA -0.481 52.517 53.050 -0.087 0.000 0.931 527 N CB 0.843 39.322 38.487 -0.013 0.000 1.150 527 N HN 0.417 nan 8.380 nan 0.000 0.512 528 I N 4.684 125.134 120.570 -0.201 0.000 2.315 528 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 528 I C -1.962 173.998 176.117 -0.263 0.000 1.006 528 I CA -2.161 58.976 61.300 -0.271 0.000 1.265 528 I CB 1.006 38.785 38.000 -0.368 0.000 1.387 528 I HN 0.265 nan 8.210 nan 0.000 0.475 529 P HA -0.039 nan 4.420 nan 0.000 0.265 529 P C -0.329 176.730 177.300 -0.401 0.000 1.187 529 P CA -0.091 62.651 63.100 -0.597 0.000 0.766 529 P CB 0.526 31.930 31.700 -0.495 0.000 0.820 530 V N 3.988 123.693 119.914 -0.348 0.000 2.432 530 V HA 0.186 4.305 4.120 -0.000 0.000 0.271 530 V C 0.392 176.379 176.094 -0.178 0.000 1.046 530 V CA 0.419 62.583 62.300 -0.228 0.000 0.945 530 V CB 0.691 32.410 31.823 -0.173 0.000 0.992 530 V HN 0.541 nan 8.190 nan 0.000 0.471 531 T N 4.084 118.565 114.554 -0.120 0.000 2.929 531 T HA 0.245 4.595 4.350 -0.000 0.000 0.284 531 T C 0.763 175.476 174.700 0.021 0.000 1.014 531 T CA -0.247 61.833 62.100 -0.034 0.000 1.051 531 T CB 1.781 70.675 68.868 0.044 0.000 1.028 531 T HN 0.838 nan 8.240 nan 0.000 0.485 532 Q N 2.507 122.325 119.800 0.030 0.000 2.308 532 Q HA -0.097 4.242 4.340 -0.000 0.000 0.209 532 Q C 1.459 177.497 176.000 0.065 0.000 0.985 532 Q CA 2.141 57.968 55.803 0.041 0.000 0.881 532 Q CB -0.405 28.358 28.738 0.042 0.000 0.917 532 Q HN 0.779 nan 8.270 nan 0.000 0.443 533 N N -1.183 117.573 118.700 0.093 0.000 2.459 533 N HA -0.027 4.712 4.740 -0.000 0.000 0.181 533 N C 0.785 176.345 175.510 0.083 0.000 1.046 533 N CA 1.051 54.156 53.050 0.091 0.000 0.904 533 N CB 0.039 38.577 38.487 0.086 0.000 0.964 533 N HN 0.372 nan 8.380 nan 0.000 0.444 534 M N 0.137 119.785 119.600 0.079 0.000 2.561 534 M HA 0.075 4.554 4.480 -0.000 0.000 0.238 534 M C 1.501 177.792 176.300 -0.015 0.000 1.131 534 M CA 0.179 55.499 55.300 0.033 0.000 1.046 534 M CB 0.086 32.690 32.600 0.006 0.000 1.532 534 M HN 0.029 nan 8.290 nan 0.000 0.497 535 V N -0.951 118.969 119.914 0.009 0.000 2.317 535 V HA -0.177 3.942 4.120 -0.000 0.000 0.251 535 V C -0.718 175.294 176.094 -0.136 0.000 1.065 535 V CA 1.626 63.911 62.300 -0.024 0.000 1.049 535 V CB -2.546 29.313 31.823 0.061 0.000 0.651 535 V HN 0.315 nan 8.190 nan 0.000 0.450 536 P HA 0.136 nan 4.420 nan 0.000 0.220 536 P C 0.713 177.885 177.300 -0.213 0.000 1.154 536 P CA 1.775 64.675 63.100 -0.334 0.000 0.830 536 P CB 0.157 31.800 31.700 -0.094 0.000 0.803 537 S N -3.820 111.811 115.700 -0.115 0.000 2.654 537 S HA 0.631 5.101 4.470 -0.000 0.000 0.267 537 S C -1.255 173.268 174.600 -0.129 0.000 1.151 537 S CA -0.534 57.554 58.200 -0.188 0.000 0.873 537 S CB 0.743 63.913 63.200 -0.050 0.000 1.181 537 S HN -0.119 nan 8.310 nan 0.000 0.489 538 S N -0.472 115.099 115.700 -0.215 0.000 2.636 538 S HA 0.680 5.150 4.470 -0.000 0.000 0.266 538 S C -1.772 172.760 174.600 -0.113 0.000 1.147 538 S CA -1.095 57.048 58.200 -0.095 0.000 0.815 538 S CB 1.500 64.646 63.200 -0.091 0.000 1.119 538 S HN 0.878 nan 8.310 nan 0.000 0.470 539 R N 0.408 120.911 120.500 0.005 0.000 2.807 539 R HA 0.793 5.133 4.340 -0.000 0.000 0.276 539 R C -1.518 174.788 176.300 0.010 0.000 0.979 539 R CA -0.990 55.120 56.100 0.017 0.000 0.928 539 R CB 1.121 31.500 30.300 0.130 0.000 1.191 539 R HN 0.443 nan 8.270 nan 0.000 0.471 540 L N -0.007 121.202 121.223 -0.022 0.000 2.333 540 L HA 0.799 5.139 4.340 -0.000 0.000 0.263 540 L C -1.112 175.773 176.870 0.025 0.000 1.014 540 L CA -1.035 53.819 54.840 0.022 0.000 0.820 540 L CB 1.532 43.593 42.059 0.004 0.000 1.352 540 L HN 0.737 nan 8.230 nan 0.000 0.421 541 L N 1.632 122.888 121.223 0.056 0.000 2.445 541 L HA 0.939 5.279 4.340 -0.000 0.000 0.262 541 L C -1.738 175.195 176.870 0.104 0.000 0.974 541 L CA -0.576 54.269 54.840 0.008 0.000 0.822 541 L CB 2.331 44.291 42.059 -0.164 0.000 1.339 541 L HN 0.565 nan 8.230 nan 0.000 0.409 542 V N 4.169 124.162 119.914 0.132 0.000 2.686 542 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 542 V C -1.508 174.771 176.094 0.309 0.000 1.065 542 V CA -0.365 62.054 62.300 0.199 0.000 0.894 542 V CB 1.914 33.831 31.823 0.157 0.000 1.004 542 V HN 0.753 nan 8.190 nan 0.000 0.424 543 Y N 4.460 124.900 120.300 0.232 0.000 2.470 543 Y HA 0.834 5.384 4.550 -0.001 0.000 0.341 543 Y C -1.144 174.985 175.900 0.382 0.000 1.021 543 Y CA -1.626 56.649 58.100 0.291 0.000 1.025 543 Y CB 1.248 39.813 38.460 0.175 0.000 1.266 543 Y HN 0.674 nan 8.280 nan 0.000 0.448 544 Y N 2.083 122.538 120.300 0.258 0.000 2.420 544 Y HA 0.806 5.356 4.550 -0.000 0.000 0.334 544 Y C -0.890 175.113 175.900 0.171 0.000 1.094 544 Y CA -3.325 54.842 58.100 0.110 0.000 1.126 544 Y CB 0.912 39.351 38.460 -0.035 0.000 1.217 544 Y HN 0.628 nan 8.280 nan 0.000 0.462 545 I N 3.930 124.511 120.570 0.019 0.000 2.297 545 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 545 I C -0.767 175.235 176.117 -0.193 0.000 1.033 545 I CA -0.959 60.282 61.300 -0.097 0.000 1.253 545 I CB 1.139 39.116 38.000 -0.038 0.000 1.396 545 I HN 0.393 nan 8.210 nan 0.000 0.476 546 V N 5.686 125.444 119.914 -0.261 0.000 2.350 546 V HA 0.159 4.278 4.120 -0.000 0.000 0.276 546 V C 0.543 176.587 176.094 -0.084 0.000 1.028 546 V CA -0.213 61.988 62.300 -0.164 0.000 0.860 546 V CB 1.744 33.430 31.823 -0.229 0.000 0.990 546 V HN 0.737 nan 8.190 nan 0.000 0.453 547 T N 5.369 119.908 114.554 -0.024 0.000 4.104 547 T HA 0.209 4.559 4.350 -0.000 0.000 0.285 547 T C 0.830 175.583 174.700 0.088 0.000 1.346 547 T CA -0.050 62.051 62.100 0.002 0.000 1.158 547 T CB -0.133 68.731 68.868 -0.007 0.000 1.290 547 T HN 0.839 nan 8.240 nan 0.000 0.975 548 G N 2.165 110.990 108.800 0.043 0.000 2.414 548 G HA2 0.101 4.060 3.960 -0.000 0.000 0.236 548 G HA3 0.101 4.060 3.960 -0.000 0.000 0.236 548 G C 1.241 176.186 174.900 0.075 0.000 1.293 548 G CA -0.556 44.577 45.100 0.055 0.000 0.869 548 G HN 0.603 nan 8.290 nan 0.000 0.556 549 E N 1.776 122.054 120.200 0.129 0.000 2.118 549 E HA -0.280 4.069 4.350 -0.000 0.000 0.195 549 E C 1.967 178.588 176.600 0.035 0.000 0.992 549 E CA 1.658 58.105 56.400 0.078 0.000 0.804 549 E CB -0.334 29.420 29.700 0.089 0.000 0.741 549 E HN 0.749 nan 8.360 nan 0.000 0.458 550 Q N 1.078 120.887 119.800 0.016 0.000 2.083 550 Q HA 0.011 4.351 4.340 -0.000 0.000 0.198 550 Q C 0.168 176.162 176.000 -0.009 0.000 0.969 550 Q CA 1.109 56.912 55.803 -0.000 0.000 0.838 550 Q CB -0.035 28.695 28.738 -0.013 0.000 0.900 550 Q HN 0.154 nan 8.270 nan 0.000 0.436 551 T N 0.322 114.864 114.554 -0.021 0.000 3.047 551 T HA 0.563 4.913 4.350 -0.000 0.000 0.340 551 T C -1.531 173.146 174.700 -0.038 0.000 1.421 551 T CA -0.236 61.849 62.100 -0.025 0.000 1.090 551 T CB 1.679 70.531 68.868 -0.026 0.000 1.292 551 T HN 0.434 nan 8.240 nan 0.000 0.480 552 A N 2.248 125.047 122.820 -0.035 0.000 2.522 552 A HA 0.391 4.711 4.320 -0.000 0.000 0.256 552 A C 0.288 177.841 177.584 -0.051 0.000 1.086 552 A CA 0.234 52.243 52.037 -0.047 0.000 0.763 552 A CB -0.037 18.936 19.000 -0.045 0.000 1.024 552 A HN 0.733 nan 8.150 nan 0.000 0.502 553 E N 2.691 122.842 120.200 -0.082 0.000 2.109 553 E HA 0.348 4.698 4.350 -0.000 0.000 0.278 553 E C -0.769 175.764 176.600 -0.112 0.000 0.954 553 E CA -0.354 55.990 56.400 -0.093 0.000 0.779 553 E CB 0.892 30.506 29.700 -0.144 0.000 1.093 553 E HN 0.656 nan 8.360 nan 0.000 0.401 554 L N 3.649 124.852 121.223 -0.034 0.000 2.371 554 L HA 0.401 4.740 4.340 -0.000 0.000 0.272 554 L C -0.316 176.551 176.870 -0.005 0.000 1.124 554 L CA -0.346 54.488 54.840 -0.011 0.000 0.816 554 L CB 1.198 43.284 42.059 0.045 0.000 1.129 554 L HN 0.291 nan 8.230 nan 0.000 0.448 555 V N 1.959 121.860 119.914 -0.022 0.000 2.851 555 V HA 0.603 4.723 4.120 -0.000 0.000 0.307 555 V C -0.629 175.648 176.094 0.306 0.000 1.129 555 V CA -0.439 61.920 62.300 0.099 0.000 0.932 555 V CB 2.373 34.098 31.823 -0.164 0.000 1.024 555 V HN 0.946 nan 8.190 nan 0.000 0.426 556 S N 2.273 118.226 115.700 0.421 0.000 2.578 556 S HA 0.734 5.204 4.470 -0.000 0.000 0.272 556 S C -1.513 173.296 174.600 0.349 0.000 1.145 556 S CA -0.733 57.680 58.200 0.356 0.000 0.835 556 S CB 2.207 65.494 63.200 0.146 0.000 1.104 556 S HN 0.882 nan 8.310 nan 0.000 0.458 557 D N 0.005 120.568 120.400 0.272 0.000 2.585 557 D HA 0.831 5.471 4.640 -0.000 0.000 0.254 557 D C -0.829 175.547 176.300 0.125 0.000 1.067 557 D CA 0.023 54.156 54.000 0.222 0.000 1.090 557 D CB 2.219 43.204 40.800 0.308 0.000 1.408 557 D HN 1.089 nan 8.370 nan 0.000 0.554 558 S N -0.775 115.000 115.700 0.126 0.000 2.567 558 S HA 0.635 5.104 4.470 -0.000 0.000 0.270 558 S C -1.307 173.371 174.600 0.129 0.000 1.152 558 S CA -0.595 57.655 58.200 0.085 0.000 0.835 558 S CB 0.902 64.114 63.200 0.021 0.000 1.115 558 S HN 1.142 nan 8.310 nan 0.000 0.459 559 V N -1.627 118.337 119.914 0.083 0.000 2.808 559 V HA 0.819 4.939 4.120 -0.000 0.000 0.308 559 V C -1.248 174.889 176.094 0.072 0.000 1.099 559 V CA -0.893 61.466 62.300 0.099 0.000 0.920 559 V CB 1.305 33.128 31.823 0.000 0.000 1.014 559 V HN 1.201 nan 8.190 nan 0.000 0.425 560 W N 5.587 126.887 121.300 0.000 0.000 2.322 560 W HA 0.719 5.379 4.660 -0.001 0.000 0.307 560 W C -0.828 175.662 176.519 -0.049 0.000 1.220 560 W CA -1.064 56.275 57.345 -0.010 0.000 1.210 560 W CB 1.161 30.644 29.460 0.039 0.000 1.223 560 W HN 0.692 nan 8.180 nan 0.000 0.511 561 L N 7.602 128.313 121.223 -0.854 0.000 2.321 561 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 561 L C 0.204 176.425 176.870 -1.082 0.000 1.050 561 L CA -0.801 53.544 54.840 -0.825 0.000 0.893 561 L CB 0.146 41.855 42.059 -0.584 0.000 1.272 561 L HN 0.459 nan 8.230 nan 0.000 0.435 562 N N 4.549 122.519 118.700 -1.217 0.000 2.475 562 N HA 0.346 5.086 4.740 -0.000 0.000 0.267 562 N C -0.652 174.626 175.510 -0.387 0.000 1.169 562 N CA -0.000 52.511 53.050 -0.897 0.000 0.947 562 N CB 0.810 38.991 38.487 -0.509 0.000 1.061 562 N HN 0.591 nan 8.380 nan 0.000 0.466 563 I N -0.176 120.211 120.570 -0.304 0.000 3.206 563 I HA 0.528 4.698 4.170 -0.000 0.000 0.313 563 I C -0.312 175.707 176.117 -0.164 0.000 1.103 563 I CA -1.127 60.054 61.300 -0.198 0.000 0.985 563 I CB 1.721 39.605 38.000 -0.192 0.000 1.240 563 I HN 0.575 nan 8.210 nan 0.000 0.464 564 E N 1.687 121.819 120.200 -0.114 0.000 2.414 564 E HA 0.019 4.369 4.350 -0.000 0.000 0.263 564 E C -0.650 175.865 176.600 -0.143 0.000 1.000 564 E CA -0.115 56.230 56.400 -0.091 0.000 0.914 564 E CB 0.427 30.104 29.700 -0.039 0.000 0.948 564 E HN 0.590 nan 8.360 nan 0.000 0.444 565 E N 2.504 122.609 120.200 -0.158 0.000 2.975 565 E HA -0.057 4.292 4.350 -0.000 0.000 0.301 565 E C -0.343 176.276 176.600 0.032 0.000 1.554 565 E CA -0.016 56.268 56.400 -0.194 0.000 1.716 565 E CB -0.110 29.519 29.700 -0.118 0.000 1.365 565 E HN 0.331 nan 8.360 nan 0.000 0.469 566 K N 0.657 121.067 120.400 0.016 0.000 2.451 566 K HA 0.023 4.343 4.320 -0.000 0.000 0.280 566 K C -0.285 176.396 176.600 0.136 0.000 1.020 566 K CA -0.423 55.901 56.287 0.063 0.000 1.008 566 K CB 0.432 32.952 32.500 0.032 0.000 0.917 566 K HN 0.177 nan 8.250 nan 0.000 0.478 567 c N 3.049 121.725 118.600 0.127 0.000 2.640 567 c HA 0.203 4.773 4.570 -0.000 0.000 0.330 567 c C 1.999 176.139 174.090 0.085 0.000 1.416 567 c CA 0.036 56.436 56.329 0.118 0.000 2.396 567 c CB 0.488 43.029 42.510 0.052 0.000 2.330 567 c HN 1.077 nan 8.230 nan 0.000 0.704 568 G N 0.110 108.947 108.800 0.062 0.000 2.559 568 G HA2 0.016 3.976 3.960 -0.000 0.000 0.209 568 G HA3 0.016 3.976 3.960 -0.000 0.000 0.209 568 G C 0.290 175.205 174.900 0.026 0.000 1.151 568 G CA 0.381 45.510 45.100 0.048 0.000 0.824 568 G HN 0.651 nan 8.290 nan 0.000 0.543 569 N N 1.122 119.829 118.700 0.011 0.000 2.621 569 N HA 0.371 5.110 4.740 -0.000 0.000 0.237 569 N C -0.927 174.575 175.510 -0.013 0.000 0.997 569 N CA -0.287 52.760 53.050 -0.004 0.000 0.918 569 N CB 1.404 39.883 38.487 -0.014 0.000 1.122 569 N HN 0.038 nan 8.380 nan 0.000 0.510 570 Q N 1.454 121.251 119.800 -0.005 0.000 2.283 570 Q HA 0.077 4.416 4.340 -0.000 0.000 0.269 570 Q C -0.332 175.652 176.000 -0.027 0.000 1.187 570 Q CA 0.042 55.840 55.803 -0.009 0.000 0.922 570 Q CB 0.141 28.881 28.738 0.004 0.000 1.323 570 Q HN 0.424 nan 8.270 nan 0.000 0.432 571 L N 2.789 123.985 121.223 -0.045 0.000 2.276 571 L HA 0.512 4.851 4.340 -0.000 0.000 0.286 571 L C -1.116 175.702 176.870 -0.087 0.000 1.061 571 L CA -0.288 54.514 54.840 -0.064 0.000 0.807 571 L CB 1.437 43.452 42.059 -0.073 0.000 1.177 571 L HN 0.418 nan 8.230 nan 0.000 0.429 572 Q N 3.970 123.702 119.800 -0.113 0.000 2.274 572 Q HA 0.591 4.931 4.340 -0.000 0.000 0.268 572 Q C -1.606 174.188 176.000 -0.343 0.000 1.015 572 Q CA -0.613 55.065 55.803 -0.208 0.000 0.775 572 Q CB 1.911 30.560 28.738 -0.148 0.000 1.256 572 Q HN 0.648 nan 8.270 nan 0.000 0.442 573 V N 1.567 121.241 119.914 -0.400 0.000 2.539 573 V HA 0.745 4.865 4.120 -0.000 0.000 0.292 573 V C -0.456 175.315 176.094 -0.539 0.000 1.045 573 V CA -0.497 61.595 62.300 -0.346 0.000 0.945 573 V CB 1.544 33.263 31.823 -0.174 0.000 0.993 573 V HN 0.779 nan 8.190 nan 0.000 0.464 574 H N 3.153 122.230 119.070 0.011 0.000 2.894 574 H HA 0.572 5.128 4.556 -0.000 0.000 0.367 574 H C -0.905 174.442 175.328 0.032 0.000 1.144 574 H CA -0.779 55.285 56.048 0.027 0.000 1.180 574 H CB 2.242 32.017 29.762 0.023 0.000 1.758 574 H HN 0.616 nan 8.280 nan 0.000 0.541 575 L N 1.199 122.543 121.223 0.203 0.000 2.350 575 L HA 0.166 4.506 4.340 -0.000 0.000 0.275 575 L C 1.436 178.387 176.870 0.134 0.000 1.099 575 L CA -0.172 54.752 54.840 0.139 0.000 0.808 575 L CB 1.371 43.549 42.059 0.198 0.000 1.149 575 L HN 0.598 nan 8.230 nan 0.000 0.442 576 S N 2.124 117.871 115.700 0.079 0.000 2.344 576 S HA -0.037 4.433 4.470 -0.000 0.000 0.217 576 S C -1.629 173.030 174.600 0.097 0.000 1.033 576 S CA 0.968 59.208 58.200 0.066 0.000 1.017 576 S CB -0.682 62.532 63.200 0.023 0.000 0.941 576 S HN 0.573 nan 8.310 nan 0.000 0.430 577 P HA 0.228 nan 4.420 nan 0.000 0.277 577 P C -0.487 176.908 177.300 0.160 0.000 1.354 577 P CA -0.016 63.176 63.100 0.153 0.000 0.891 577 P CB 0.422 32.255 31.700 0.223 0.000 1.058 578 D N 2.589 123.034 120.400 0.074 0.000 2.371 578 D HA -0.017 4.623 4.640 -0.000 0.000 0.234 578 D C 0.536 176.830 176.300 -0.011 0.000 1.049 578 D CA 0.085 54.124 54.000 0.066 0.000 0.907 578 D CB -0.011 40.800 40.800 0.019 0.000 0.891 578 D HN 0.335 nan 8.370 nan 0.000 0.531 579 A N 0.981 123.730 122.820 -0.120 0.000 2.520 579 A HA -0.004 4.316 4.320 -0.000 0.000 0.235 579 A C 0.871 178.270 177.584 -0.308 0.000 1.065 579 A CA 0.249 52.151 52.037 -0.226 0.000 0.764 579 A CB 0.242 19.072 19.000 -0.283 0.000 1.002 579 A HN 0.243 nan 8.150 nan 0.000 0.502 580 D N -0.369 119.928 120.400 -0.172 0.000 2.336 580 D HA 0.447 5.087 4.640 -0.000 0.000 0.228 580 D C -0.012 176.247 176.300 -0.070 0.000 1.120 580 D CA 0.626 54.580 54.000 -0.077 0.000 0.839 580 D CB -0.048 40.740 40.800 -0.020 0.000 0.932 580 D HN 0.773 nan 8.370 nan 0.000 0.509 581 A N -0.498 122.196 122.820 -0.211 0.000 2.555 581 A HA 0.588 4.908 4.320 -0.000 0.000 0.297 581 A C -1.859 175.594 177.584 -0.218 0.000 1.060 581 A CA -0.935 51.063 52.037 -0.065 0.000 0.710 581 A CB 0.882 19.910 19.000 0.045 0.000 1.282 581 A HN 0.098 nan 8.150 nan 0.000 0.399 582 Y N 0.581 120.973 120.300 0.153 0.000 2.570 582 Y HA 0.607 5.157 4.550 -0.000 0.000 0.345 582 Y C 0.965 176.939 175.900 0.124 0.000 1.014 582 Y CA -0.350 57.831 58.100 0.135 0.000 1.063 582 Y CB 2.215 40.771 38.460 0.160 0.000 1.272 582 Y HN 0.777 nan 8.280 nan 0.000 0.477 583 S N 1.130 116.993 115.700 0.272 0.000 2.548 583 S HA 0.285 4.755 4.470 -0.000 0.000 0.277 583 S C -2.741 171.949 174.600 0.151 0.000 1.315 583 S CA -1.533 56.760 58.200 0.156 0.000 1.050 583 S CB 0.903 64.174 63.200 0.117 0.000 0.918 583 S HN 0.330 nan 8.310 nan 0.000 0.497 584 P HA 0.248 nan 4.420 nan 0.000 0.238 584 P C 0.796 178.133 177.300 0.062 0.000 1.679 584 P CA 0.403 63.548 63.100 0.075 0.000 1.080 584 P CB -0.414 31.284 31.700 -0.003 0.000 1.961 585 G N 0.240 109.088 108.800 0.081 0.000 4.106 585 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 585 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 585 G C 0.046 174.980 174.900 0.058 0.000 0.853 585 G CA -0.490 44.642 45.100 0.054 0.000 0.920 585 G HN 0.421 nan 8.290 nan 0.000 0.715 586 Q N 2.537 122.387 119.800 0.084 0.000 2.283 586 Q HA 0.375 4.714 4.340 -0.000 0.000 0.301 586 Q C 0.833 176.852 176.000 0.032 0.000 1.063 586 Q CA 0.771 56.621 55.803 0.079 0.000 0.952 586 Q CB 0.375 29.201 28.738 0.146 0.000 1.166 586 Q HN 0.410 nan 8.270 nan 0.000 0.381 587 T N 0.616 115.180 114.554 0.018 0.000 2.901 587 T HA 0.424 4.774 4.350 -0.000 0.000 0.301 587 T C -0.265 174.391 174.700 -0.073 0.000 1.012 587 T CA -0.806 61.281 62.100 -0.022 0.000 1.135 587 T CB 1.416 70.285 68.868 0.001 0.000 0.936 587 T HN 0.447 nan 8.240 nan 0.000 0.539 588 V N 1.991 121.777 119.914 -0.213 0.000 2.882 588 V HA 0.492 4.611 4.120 -0.000 0.000 0.295 588 V C -0.818 175.011 176.094 -0.442 0.000 1.273 588 V CA -0.747 61.395 62.300 -0.262 0.000 0.949 588 V CB 2.355 34.011 31.823 -0.279 0.000 1.071 588 V HN 1.169 nan 8.190 nan 0.000 0.432 589 S N 7.080 122.638 115.700 -0.236 0.000 2.489 589 S HA 0.682 5.152 4.470 -0.000 0.000 0.277 589 S C -0.445 174.061 174.600 -0.157 0.000 1.230 589 S CA -0.384 57.702 58.200 -0.191 0.000 1.053 589 S CB 1.243 64.403 63.200 -0.066 0.000 0.955 589 S HN 1.061 nan 8.310 nan 0.000 0.488 590 L N 3.267 124.416 121.223 -0.123 0.000 2.322 590 L HA 0.583 4.922 4.340 -0.000 0.000 0.279 590 L C -0.648 176.232 176.870 0.016 0.000 1.036 590 L CA -0.250 54.583 54.840 -0.010 0.000 0.807 590 L CB 0.995 43.111 42.059 0.096 0.000 1.226 590 L HN 0.476 nan 8.230 nan 0.000 0.433 591 N N 4.382 123.098 118.700 0.025 0.000 2.362 591 N HA 0.474 5.213 4.740 -0.000 0.000 0.298 591 N C -0.880 174.616 175.510 -0.024 0.000 1.048 591 N CA -0.455 52.605 53.050 0.018 0.000 0.858 591 N CB 1.886 40.410 38.487 0.063 0.000 1.218 591 N HN 0.599 nan 8.380 nan 0.000 0.488 592 M N 1.330 120.906 119.600 -0.039 0.000 2.471 592 M HA 0.634 5.114 4.480 -0.000 0.000 0.309 592 M C -0.352 175.924 176.300 -0.040 0.000 1.186 592 M CA -0.392 54.872 55.300 -0.060 0.000 1.008 592 M CB 1.636 34.197 32.600 -0.066 0.000 1.551 592 M HN 0.635 nan 8.290 nan 0.000 0.477 593 A N 0.611 123.400 122.820 -0.052 0.000 2.540 593 A HA 0.853 5.173 4.320 -0.000 0.000 0.297 593 A C -1.325 176.237 177.584 -0.037 0.000 1.056 593 A CA -0.616 51.403 52.037 -0.031 0.000 0.700 593 A CB 1.237 20.229 19.000 -0.013 0.000 1.280 593 A HN 0.709 nan 8.150 nan 0.000 0.398 594 T N 0.237 114.774 114.554 -0.028 0.000 2.957 594 T HA 0.517 4.867 4.350 -0.000 0.000 0.336 594 T C 0.738 175.425 174.700 -0.021 0.000 1.462 594 T CA -0.048 62.034 62.100 -0.030 0.000 1.073 594 T CB 1.567 70.408 68.868 -0.046 0.000 1.319 594 T HN 1.368 nan 8.240 nan 0.000 0.485 595 G N 0.898 109.689 108.800 -0.015 0.000 2.920 595 G HA2 0.353 4.312 3.960 -0.000 0.000 0.208 595 G HA3 0.353 4.312 3.960 -0.000 0.000 0.208 595 G C 0.185 175.077 174.900 -0.014 0.000 1.159 595 G CA 0.323 45.418 45.100 -0.008 0.000 0.784 595 G HN 0.455 nan 8.290 nan 0.000 0.535 596 M N 0.918 120.503 119.600 -0.026 0.000 2.414 596 M HA 0.205 4.685 4.480 -0.000 0.000 0.287 596 M C -1.692 174.570 176.300 -0.062 0.000 1.181 596 M CA -1.010 54.270 55.300 -0.034 0.000 0.933 596 M CB 1.999 34.586 32.600 -0.021 0.000 1.732 596 M HN -0.092 nan 8.290 nan 0.000 0.486 597 D N 2.019 122.370 120.400 -0.081 0.000 2.703 597 D HA 0.119 4.759 4.640 -0.000 0.000 0.225 597 D C -0.022 176.170 176.300 -0.181 0.000 1.119 597 D CA 1.029 54.945 54.000 -0.140 0.000 0.845 597 D CB 0.738 41.449 40.800 -0.149 0.000 1.182 597 D HN 0.501 nan 8.370 nan 0.000 0.493 598 S N 0.963 116.507 115.700 -0.260 0.000 2.565 598 S HA 0.405 4.874 4.470 -0.000 0.000 0.269 598 S C -1.760 172.627 174.600 -0.355 0.000 1.153 598 S CA -0.890 57.161 58.200 -0.249 0.000 0.835 598 S CB 0.580 63.721 63.200 -0.097 0.000 1.122 598 S HN 0.414 nan 8.310 nan 0.000 0.462 599 W N 2.313 123.619 121.300 0.010 0.000 2.315 599 W HA 0.577 5.237 4.660 -0.001 0.000 0.316 599 W C 0.185 176.698 176.519 -0.009 0.000 1.211 599 W CA -0.502 56.851 57.345 0.014 0.000 1.201 599 W CB 1.004 30.480 29.460 0.027 0.000 1.184 599 W HN 0.448 nan 8.180 nan 0.000 0.544 600 V N 1.925 122.012 119.914 0.289 0.000 3.369 600 V HA 0.885 5.004 4.120 -0.000 0.000 0.301 600 V C -0.081 176.082 176.094 0.116 0.000 1.184 600 V CA -1.292 61.083 62.300 0.126 0.000 1.013 600 V CB 1.540 33.415 31.823 0.087 0.000 1.230 600 V HN 0.578 nan 8.190 nan 0.000 0.464 601 A N 1.277 124.116 122.820 0.030 0.000 2.517 601 A HA 0.487 4.807 4.320 -0.000 0.000 0.300 601 A C -0.883 176.654 177.584 -0.077 0.000 1.225 601 A CA -0.551 51.478 52.037 -0.012 0.000 0.883 601 A CB -0.198 18.843 19.000 0.068 0.000 1.459 601 A HN 0.595 nan 8.150 nan 0.000 0.437 602 L N 0.805 121.970 121.223 -0.095 0.000 2.468 602 L HA 0.716 5.055 4.340 -0.000 0.000 0.253 602 L C 0.816 177.602 176.870 -0.140 0.000 1.237 602 L CA 0.220 54.990 54.840 -0.116 0.000 0.823 602 L CB 0.688 42.667 42.059 -0.132 0.000 1.124 602 L HN 1.048 nan 8.230 nan 0.000 0.504 603 A N 0.253 123.010 122.820 -0.104 0.000 2.586 603 A HA 0.674 4.994 4.320 -0.000 0.000 0.296 603 A C -1.410 176.070 177.584 -0.174 0.000 1.040 603 A CA -0.050 51.992 52.037 0.008 0.000 0.701 603 A CB 1.060 20.194 19.000 0.223 0.000 1.277 603 A HN 0.835 nan 8.150 nan 0.000 0.413 604 A N 1.532 124.150 122.820 -0.337 0.000 2.651 604 A HA 0.629 4.948 4.320 -0.000 0.000 0.290 604 A C -0.747 176.701 177.584 -0.225 0.000 1.185 604 A CA -0.314 51.367 52.037 -0.593 0.000 0.746 604 A CB 0.494 18.373 19.000 -1.869 0.000 1.213 604 A HN 1.571 nan 8.150 nan 0.000 0.429 605 V N 1.783 121.785 119.914 0.147 0.000 2.644 605 V HA 0.222 4.341 4.120 -0.000 0.000 0.295 605 V C 0.351 176.795 176.094 0.584 0.000 1.053 605 V CA -0.508 61.988 62.300 0.327 0.000 0.987 605 V CB 1.712 33.728 31.823 0.321 0.000 1.006 605 V HN 0.892 nan 8.190 nan 0.000 0.472 606 D N 3.122 123.884 120.400 0.602 0.000 2.356 606 D HA -0.048 4.592 4.640 -0.000 0.000 0.272 606 D C 1.552 178.000 176.300 0.246 0.000 1.337 606 D CA 0.741 54.955 54.000 0.356 0.000 0.970 606 D CB 0.895 41.840 40.800 0.241 0.000 1.092 606 D HN 0.690 nan 8.370 nan 0.000 0.516 607 S N 3.023 118.882 115.700 0.265 0.000 2.481 607 S HA -0.272 4.197 4.470 -0.000 0.000 0.253 607 S C 1.822 176.568 174.600 0.244 0.000 0.998 607 S CA 0.984 59.353 58.200 0.283 0.000 0.972 607 S CB -0.322 62.986 63.200 0.179 0.000 0.751 607 S HN 0.504 nan 8.310 nan 0.000 0.515 608 A N 1.452 124.358 122.820 0.143 0.000 2.119 608 A HA 0.214 4.534 4.320 -0.000 0.000 0.217 608 A C 2.347 179.894 177.584 -0.062 0.000 1.153 608 A CA 1.054 53.175 52.037 0.140 0.000 0.692 608 A CB -0.983 18.190 19.000 0.287 0.000 0.799 608 A HN 0.946 nan 8.150 nan 0.000 0.458 609 V N -1.872 117.734 119.914 -0.513 0.000 2.215 609 V HA -0.366 3.753 4.120 -0.000 0.000 0.246 609 V C 2.181 177.987 176.094 -0.480 0.000 1.047 609 V CA 1.937 63.643 62.300 -0.990 0.000 0.999 609 V CB -2.016 29.089 31.823 -1.197 0.000 0.635 609 V HN 0.560 nan 8.190 nan 0.000 0.450 610 Y N 2.391 122.579 120.300 -0.188 0.000 1.974 610 Y HA 0.109 4.659 4.550 -0.001 0.000 0.255 610 Y C 2.715 178.584 175.900 -0.051 0.000 1.125 610 Y CA 1.834 59.880 58.100 -0.090 0.000 1.085 610 Y CB -1.837 36.590 38.460 -0.054 0.000 0.957 610 Y HN 0.569 nan 8.280 nan 0.000 0.484 611 G N 0.394 109.318 108.800 0.206 0.000 2.805 611 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.360 611 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.360 611 G C 0.284 175.228 174.900 0.075 0.000 1.164 611 G CA 1.857 47.024 45.100 0.112 0.000 0.954 611 G HN 1.027 nan 8.290 nan 0.000 0.597 612 V N -0.586 119.363 119.914 0.059 0.000 2.539 612 V HA 0.330 4.450 4.120 -0.000 0.000 0.294 612 V C 0.782 176.900 176.094 0.040 0.000 0.994 612 V CA 1.508 63.832 62.300 0.040 0.000 1.169 612 V CB -0.205 31.638 31.823 0.033 0.000 0.898 612 V HN 1.629 nan 8.190 nan 0.000 0.471 613 Q N 2.570 122.390 119.800 0.034 0.000 2.368 613 Q HA -0.268 4.072 4.340 -0.000 0.000 0.354 613 Q C 0.331 176.357 176.000 0.045 0.000 1.260 613 Q CA 1.107 56.932 55.803 0.037 0.000 1.081 613 Q CB -0.513 28.246 28.738 0.035 0.000 1.196 613 Q HN 0.981 nan 8.270 nan 0.000 0.299 614 R N 2.979 123.506 120.500 0.045 0.000 2.605 614 R HA 0.201 4.541 4.340 -0.000 0.000 0.271 614 R C 0.523 176.845 176.300 0.036 0.000 1.418 614 R CA 0.701 56.828 56.100 0.046 0.000 1.102 614 R CB -0.143 30.170 30.300 0.022 0.000 1.131 614 R HN 0.608 nan 8.270 nan 0.000 0.554 615 G N 2.618 111.445 108.800 0.045 0.000 2.163 615 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.239 615 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.239 615 G C 1.101 176.026 174.900 0.042 0.000 1.148 615 G CA 0.159 45.289 45.100 0.049 0.000 0.880 615 G HN 0.830 nan 8.290 nan 0.000 0.466 616 A N 3.172 126.022 122.820 0.049 0.000 1.869 616 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 616 A C 2.334 179.941 177.584 0.039 0.000 1.203 616 A CA 2.721 54.783 52.037 0.043 0.000 0.638 616 A CB -0.758 18.274 19.000 0.053 0.000 0.831 616 A HN 1.209 nan 8.150 nan 0.000 0.450 617 K N -2.584 117.846 120.400 0.051 0.000 2.363 617 K HA -0.269 4.050 4.320 -0.000 0.000 0.156 617 K C -0.165 176.462 176.600 0.045 0.000 0.818 617 K CA 2.432 58.749 56.287 0.051 0.000 0.554 617 K CB -0.481 32.047 32.500 0.047 0.000 0.683 617 K HN 0.532 nan 8.250 nan 0.000 0.838 618 K N -1.808 118.612 120.400 0.033 0.000 2.736 618 K HA 0.214 4.534 4.320 -0.000 0.000 0.290 618 K C -2.370 174.230 176.600 -0.001 0.000 1.033 618 K CA -0.410 55.892 56.287 0.025 0.000 0.852 618 K CB 1.111 33.638 32.500 0.046 0.000 1.494 618 K HN 0.250 nan 8.250 nan 0.000 0.378 619 P HA 0.095 nan 4.420 nan 0.000 0.210 619 P C 1.272 178.535 177.300 -0.063 0.000 1.173 619 P CA 0.201 63.267 63.100 -0.056 0.000 0.898 619 P CB 0.316 31.977 31.700 -0.065 0.000 0.758 620 L N -0.019 121.180 121.223 -0.040 0.000 2.395 620 L HA 0.086 4.425 4.340 -0.000 0.000 0.218 620 L C 2.012 178.905 176.870 0.039 0.000 1.130 620 L CA 1.534 56.346 54.840 -0.046 0.000 0.826 620 L CB -0.919 41.129 42.059 -0.018 0.000 0.941 620 L HN -0.056 nan 8.230 nan 0.000 0.451 621 E N -0.450 119.805 120.200 0.092 0.000 2.285 621 E HA -0.228 4.121 4.350 -0.000 0.000 0.194 621 E C 2.213 178.882 176.600 0.115 0.000 0.997 621 E CA 0.255 56.752 56.400 0.162 0.000 0.845 621 E CB -0.017 29.757 29.700 0.123 0.000 0.782 621 E HN 0.522 nan 8.360 nan 0.000 0.491 622 R N 0.209 120.731 120.500 0.037 0.000 2.112 622 R HA -0.185 4.154 4.340 -0.000 0.000 0.242 622 R C 2.244 178.546 176.300 0.004 0.000 1.137 622 R CA 1.976 58.084 56.100 0.014 0.000 0.944 622 R CB -0.408 29.866 30.300 -0.044 0.000 0.857 622 R HN 0.139 nan 8.270 nan 0.000 0.435 623 V N 0.145 119.987 119.914 -0.120 0.000 2.270 623 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 623 V C 2.031 178.132 176.094 0.011 0.000 1.043 623 V CA 1.884 64.046 62.300 -0.230 0.000 1.014 623 V CB -0.470 30.998 31.823 -0.591 0.000 0.645 623 V HN 0.339 nan 8.190 nan 0.000 0.447 624 F N 0.013 119.960 119.950 -0.005 0.000 2.154 624 F HA -0.314 4.212 4.527 -0.001 0.000 0.301 624 F C 2.637 178.492 175.800 0.091 0.000 1.087 624 F CA 1.882 59.906 58.000 0.040 0.000 1.274 624 F CB -0.081 38.936 39.000 0.028 0.000 1.009 624 F HN 0.232 nan 8.300 nan 0.000 0.485 625 Q N -0.429 119.555 119.800 0.306 0.000 1.975 625 Q HA -0.265 4.075 4.340 -0.000 0.000 0.205 625 Q C 2.146 178.293 176.000 0.245 0.000 0.990 625 Q CA 2.250 58.194 55.803 0.235 0.000 0.845 625 Q CB -0.683 28.168 28.738 0.188 0.000 0.913 625 Q HN 0.491 nan 8.270 nan 0.000 0.420 626 F N 1.657 121.684 119.950 0.128 0.000 2.025 626 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 626 F C 1.997 177.872 175.800 0.125 0.000 1.132 626 F CA 1.708 59.799 58.000 0.151 0.000 1.191 626 F CB -0.420 38.705 39.000 0.207 0.000 0.963 626 F HN 0.105 nan 8.300 nan 0.000 0.481 627 L N 1.212 122.657 121.223 0.369 0.000 2.740 627 L HA -0.114 4.226 4.340 -0.000 0.000 0.242 627 L C 0.663 177.433 176.870 -0.166 0.000 1.175 627 L CA 1.437 56.208 54.840 -0.116 0.000 0.859 627 L CB -0.909 41.149 42.059 -0.002 0.000 0.992 627 L HN 0.607 nan 8.230 nan 0.000 0.454 628 E N -1.908 118.309 120.200 0.028 0.000 3.575 628 E HA 0.118 4.468 4.350 -0.000 0.000 0.201 628 E C 0.122 176.767 176.600 0.076 0.000 0.999 628 E CA -0.556 55.908 56.400 0.106 0.000 1.315 628 E CB 0.314 30.124 29.700 0.183 0.000 1.146 628 E HN 0.114 nan 8.360 nan 0.000 0.453 629 K N 0.404 120.807 120.400 0.005 0.000 2.387 629 K HA 0.084 4.404 4.320 -0.000 0.000 0.198 629 K C 1.252 177.870 176.600 0.029 0.000 1.022 629 K CA 0.422 56.703 56.287 -0.010 0.000 1.128 629 K CB 0.661 33.108 32.500 -0.087 0.000 0.853 629 K HN 0.320 nan 8.250 nan 0.000 0.523 630 S N 0.105 115.873 115.700 0.114 0.000 2.603 630 S HA -0.009 4.461 4.470 -0.000 0.000 0.220 630 S C 0.560 175.216 174.600 0.093 0.000 0.967 630 S CA -0.306 57.967 58.200 0.121 0.000 0.920 630 S CB -0.178 63.184 63.200 0.271 0.000 0.773 630 S HN 0.141 nan 8.310 nan 0.000 0.529 631 D N 1.817 122.274 120.400 0.094 0.000 2.348 631 D HA 0.123 4.763 4.640 -0.000 0.000 0.259 631 D C 1.084 177.419 176.300 0.059 0.000 1.296 631 D CA -0.061 53.996 54.000 0.095 0.000 0.931 631 D CB 0.534 41.412 40.800 0.130 0.000 1.067 631 D HN 0.283 nan 8.370 nan 0.000 0.503 632 L N 3.671 124.923 121.223 0.048 0.000 2.046 632 L HA 0.011 4.350 4.340 -0.000 0.000 0.208 632 L C 2.062 178.960 176.870 0.046 0.000 1.077 632 L CA 0.763 55.619 54.840 0.027 0.000 0.747 632 L CB -0.868 41.194 42.059 0.005 0.000 0.896 632 L HN 0.348 nan 8.230 nan 0.000 0.432 633 G N -1.337 107.505 108.800 0.070 0.000 2.332 633 G HA2 0.134 4.094 3.960 -0.000 0.000 0.311 633 G HA3 0.134 4.094 3.960 -0.000 0.000 0.311 633 G C -0.453 174.476 174.900 0.049 0.000 1.392 633 G CA 0.482 45.633 45.100 0.085 0.000 1.110 633 G HN 0.396 nan 8.290 nan 0.000 0.594 634 c N -3.474 115.150 118.600 0.040 0.000 3.068 634 c HA 0.625 5.195 4.570 -0.000 0.000 0.344 634 c C 0.323 174.406 174.090 -0.012 0.000 1.223 634 c CA 0.911 57.230 56.329 -0.016 0.000 1.153 634 c CB 0.416 42.920 42.510 -0.010 0.000 1.396 634 c HN 2.803 nan 8.230 nan 0.000 0.485 635 G N 1.731 110.487 108.800 -0.073 0.000 2.760 635 G HA2 0.374 4.334 3.960 -0.000 0.000 0.246 635 G HA3 0.374 4.334 3.960 -0.000 0.000 0.246 635 G C 0.637 175.520 174.900 -0.030 0.000 1.359 635 G CA 0.312 45.382 45.100 -0.050 0.000 0.861 635 G HN 2.364 nan 8.290 nan 0.000 0.541 636 A N -0.713 122.127 122.820 0.034 0.000 2.123 636 A HA 0.673 4.993 4.320 -0.000 0.000 0.214 636 A C 1.943 179.668 177.584 0.234 0.000 1.152 636 A CA 2.281 54.407 52.037 0.148 0.000 0.728 636 A CB -0.389 18.692 19.000 0.135 0.000 0.814 636 A HN 2.869 nan 8.150 nan 0.000 0.464 637 G N -3.344 105.564 108.800 0.181 0.000 2.369 637 G HA2 0.513 4.473 3.960 -0.000 0.000 0.293 637 G HA3 0.513 4.473 3.960 -0.000 0.000 0.293 637 G C 0.272 175.308 174.900 0.226 0.000 1.301 637 G CA 0.023 45.243 45.100 0.201 0.000 0.913 637 G HN 2.044 nan 8.290 nan 0.000 0.540 638 G N -1.082 107.840 108.800 0.203 0.000 3.177 638 G HA2 0.438 4.398 3.960 -0.000 0.000 0.682 638 G HA3 0.438 4.398 3.960 -0.000 0.000 0.682 638 G C 1.008 176.060 174.900 0.253 0.000 1.002 638 G CA 0.855 46.086 45.100 0.218 0.000 0.910 638 G HN 2.159 nan 8.290 nan 0.000 0.538 639 G N -0.173 108.565 108.800 -0.104 0.000 3.229 639 G HA2 0.666 4.626 3.960 -0.000 0.000 0.165 639 G HA3 0.666 4.626 3.960 -0.000 0.000 0.165 639 G C 0.973 175.220 174.900 -1.088 0.000 1.753 639 G CA 0.972 45.809 45.100 -0.437 0.000 1.054 639 G HN 1.703 nan 8.290 nan 0.000 0.544 640 L N -1.947 118.721 121.223 -0.925 0.000 3.705 640 L HA 0.370 4.710 4.340 -0.000 0.000 0.382 640 L C -0.827 175.704 176.870 -0.565 0.000 0.971 640 L CA 0.112 54.461 54.840 -0.818 0.000 1.566 640 L CB -0.468 41.140 42.059 -0.752 0.000 2.300 640 L HN 0.424 nan 8.230 nan 0.000 0.609 641 N N -0.180 118.203 118.700 -0.528 0.000 2.455 641 N HA 0.245 4.984 4.740 -0.000 0.000 0.278 641 N C 0.231 175.540 175.510 -0.336 0.000 1.291 641 N CA -0.112 52.771 53.050 -0.278 0.000 0.780 641 N CB 0.927 39.376 38.487 -0.063 0.000 1.520 641 N HN 0.051 nan 8.380 nan 0.000 0.486 642 N N 0.323 119.009 118.700 -0.023 0.000 2.348 642 N HA -0.177 4.562 4.740 -0.000 0.000 0.185 642 N C 1.209 176.787 175.510 0.113 0.000 1.019 642 N CA 0.987 54.082 53.050 0.076 0.000 0.880 642 N CB 0.221 38.831 38.487 0.206 0.000 0.965 642 N HN 0.588 nan 8.380 nan 0.000 0.437 643 A N 1.498 124.411 122.820 0.156 0.000 1.823 643 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 643 A C 1.929 179.616 177.584 0.171 0.000 1.227 643 A CA 1.641 53.834 52.037 0.261 0.000 0.616 643 A CB -1.480 17.640 19.000 0.199 0.000 0.874 643 A HN 0.541 nan 8.150 nan 0.000 0.455 644 N N -0.624 118.105 118.700 0.049 0.000 2.157 644 N HA -0.271 4.469 4.740 -0.000 0.000 0.198 644 N C 1.690 177.193 175.510 -0.012 0.000 0.987 644 N CA 2.547 55.586 53.050 -0.018 0.000 0.899 644 N CB -0.345 38.008 38.487 -0.222 0.000 1.077 644 N HN 0.197 nan 8.380 nan 0.000 0.586 645 V N 0.359 120.179 119.914 -0.156 0.000 2.252 645 V HA -0.314 3.806 4.120 -0.000 0.000 0.255 645 V C 1.936 177.977 176.094 -0.089 0.000 1.071 645 V CA 2.226 64.433 62.300 -0.155 0.000 1.050 645 V CB -0.899 30.776 31.823 -0.248 0.000 0.654 645 V HN 0.351 nan 8.190 nan 0.000 0.448 646 F N -1.166 118.719 119.950 -0.109 0.000 2.171 646 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 646 F C 2.487 178.296 175.800 0.015 0.000 1.090 646 F CA 1.898 59.823 58.000 -0.125 0.000 1.293 646 F CB -0.339 38.434 39.000 -0.378 0.000 1.013 646 F HN 0.239 nan 8.300 nan 0.000 0.486 647 H N 0.747 119.913 119.070 0.160 0.000 2.325 647 H HA -0.158 4.398 4.556 -0.000 0.000 0.296 647 H C 2.356 177.722 175.328 0.063 0.000 1.053 647 H CA 2.096 58.202 56.048 0.098 0.000 1.204 647 H CB -0.848 28.947 29.762 0.055 0.000 1.383 647 H HN 0.151 nan 8.280 nan 0.000 0.532 648 L N 0.568 121.947 121.223 0.259 0.000 2.283 648 L HA -0.260 4.080 4.340 -0.000 0.000 0.217 648 L C 2.812 179.764 176.870 0.137 0.000 1.104 648 L CA 1.127 56.057 54.840 0.150 0.000 0.772 648 L CB -0.573 41.552 42.059 0.110 0.000 0.899 648 L HN 0.347 nan 8.230 nan 0.000 0.439 649 A N -0.569 122.327 122.820 0.127 0.000 2.070 649 A HA 0.065 4.385 4.320 -0.000 0.000 0.220 649 A C 1.962 179.613 177.584 0.112 0.000 1.159 649 A CA 1.326 53.424 52.037 0.102 0.000 0.656 649 A CB -0.561 18.476 19.000 0.061 0.000 0.800 649 A HN 0.600 nan 8.150 nan 0.000 0.453 650 G N -2.566 106.307 108.800 0.121 0.000 2.179 650 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 650 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 650 G C 0.002 174.920 174.900 0.031 0.000 0.990 650 G CA 0.169 45.315 45.100 0.078 0.000 0.646 650 G HN 0.441 nan 8.290 nan 0.000 0.517 651 L N 0.270 121.534 121.223 0.068 0.000 2.330 651 L HA 0.843 5.183 4.340 -0.000 0.000 0.271 651 L C 0.285 177.144 176.870 -0.018 0.000 1.013 651 L CA -0.808 54.064 54.840 0.054 0.000 0.816 651 L CB 2.286 44.475 42.059 0.217 0.000 1.287 651 L HN 0.115 nan 8.230 nan 0.000 0.435 652 T N 1.460 115.961 114.554 -0.087 0.000 2.876 652 T HA 0.684 5.034 4.350 -0.000 0.000 0.289 652 T C -0.845 173.821 174.700 -0.058 0.000 1.014 652 T CA -0.405 61.655 62.100 -0.067 0.000 0.986 652 T CB 0.881 69.609 68.868 -0.233 0.000 1.021 652 T HN 0.364 nan 8.240 nan 0.000 0.458 653 F N 2.455 122.165 119.950 -0.400 0.000 2.631 653 F HA 0.907 5.433 4.527 -0.000 0.000 0.350 653 F C -1.162 174.425 175.800 -0.355 0.000 1.080 653 F CA -1.423 56.300 58.000 -0.463 0.000 1.026 653 F CB 0.987 39.448 39.000 -0.898 0.000 1.347 653 F HN 0.307 nan 8.300 nan 0.000 0.501 654 L N 1.795 122.837 121.223 -0.301 0.000 2.470 654 L HA 0.482 4.822 4.340 -0.000 0.000 0.253 654 L C -1.097 175.579 176.870 -0.324 0.000 1.163 654 L CA -0.146 54.486 54.840 -0.346 0.000 0.932 654 L CB 0.531 42.452 42.059 -0.230 0.000 1.213 654 L HN 0.842 nan 8.230 nan 0.000 0.485 655 T N 2.017 116.367 114.554 -0.340 0.000 3.186 655 T HA 0.304 4.654 4.350 -0.000 0.000 0.320 655 T C -0.128 174.540 174.700 -0.054 0.000 0.955 655 T CA -0.482 61.548 62.100 -0.116 0.000 1.030 655 T CB 0.686 69.612 68.868 0.097 0.000 1.013 655 T HN 0.344 nan 8.240 nan 0.000 0.454 656 N N 2.379 121.144 118.700 0.109 0.000 2.399 656 N HA 0.465 5.204 4.740 -0.000 0.000 0.259 656 N C 0.659 176.185 175.510 0.025 0.000 1.160 656 N CA -0.104 52.976 53.050 0.051 0.000 0.946 656 N CB 0.603 39.071 38.487 -0.032 0.000 1.156 656 N HN 0.786 nan 8.380 nan 0.000 0.489 657 A N 3.323 126.136 122.820 -0.011 0.000 3.495 657 A HA -0.001 4.319 4.320 -0.000 0.000 0.132 657 A C -0.423 177.161 177.584 -0.001 0.000 1.316 657 A CA -0.377 51.655 52.037 -0.008 0.000 1.328 657 A CB -0.059 18.948 19.000 0.011 0.000 1.062 657 A HN 0.552 nan 8.150 nan 0.000 0.486 658 N N 0.600 119.320 118.700 0.034 0.000 2.509 658 N HA 0.532 5.272 4.740 -0.000 0.000 0.287 658 N C -0.041 175.463 175.510 -0.011 0.000 1.121 658 N CA 0.175 53.261 53.050 0.059 0.000 0.977 658 N CB 1.429 40.015 38.487 0.165 0.000 1.167 658 N HN 0.727 nan 8.380 nan 0.000 0.476 659 A N 1.778 124.591 122.820 -0.011 0.000 2.513 659 A HA -0.038 4.282 4.320 -0.000 0.000 0.274 659 A C 0.456 177.941 177.584 -0.165 0.000 1.115 659 A CA -0.120 51.868 52.037 -0.081 0.000 0.792 659 A CB -0.414 18.568 19.000 -0.030 0.000 1.053 659 A HN 0.800 nan 8.150 nan 0.000 0.515 660 D N 2.154 122.245 120.400 -0.514 0.000 2.390 660 D HA -0.041 4.599 4.640 -0.000 0.000 0.235 660 D C 0.455 176.447 176.300 -0.513 0.000 1.040 660 D CA 0.461 53.750 54.000 -1.186 0.000 0.923 660 D CB -0.446 39.324 40.800 -1.718 0.000 0.886 660 D HN 0.773 nan 8.370 nan 0.000 0.532 661 D N 0.089 120.356 120.400 -0.221 0.000 2.300 661 D HA 0.023 4.663 4.640 -0.000 0.000 0.235 661 D C 0.099 176.382 176.300 -0.029 0.000 1.338 661 D CA 0.095 54.030 54.000 -0.110 0.000 0.903 661 D CB 0.431 41.201 40.800 -0.049 0.000 1.180 661 D HN 0.027 nan 8.370 nan 0.000 0.485 662 S N -0.866 114.835 115.700 0.001 0.000 2.680 662 S HA 0.060 4.529 4.470 -0.000 0.000 0.153 662 S C -0.794 173.895 174.600 0.147 0.000 1.224 662 S CA -1.008 57.244 58.200 0.087 0.000 1.197 662 S CB 0.106 63.202 63.200 -0.174 0.000 1.634 662 S HN 0.442 nan 8.310 nan 0.000 0.422 663 Q N 3.472 123.342 119.800 0.116 0.000 4.051 663 Q HA -0.150 4.190 4.340 -0.000 0.000 0.398 663 Q C 0.560 176.597 176.000 0.061 0.000 1.037 663 Q CA 1.872 57.713 55.803 0.063 0.000 1.328 663 Q CB -1.154 27.604 28.738 0.034 0.000 1.070 663 Q HN 1.003 nan 8.270 nan 0.000 0.484 664 E N 1.639 121.865 120.200 0.043 0.000 5.340 664 E HA -0.386 3.964 4.350 -0.000 0.000 0.418 664 E C 0.373 176.997 176.600 0.041 0.000 0.397 664 E CA 0.634 57.056 56.400 0.037 0.000 1.120 664 E CB -0.073 29.644 29.700 0.028 0.000 0.694 664 E HN 0.883 nan 8.360 nan 0.000 0.369 665 N N 1.970 120.691 118.700 0.034 0.000 1.673 665 N HA -0.269 4.471 4.740 -0.000 0.000 0.120 665 N C -1.299 174.231 175.510 0.034 0.000 0.843 665 N CA 2.058 55.123 53.050 0.024 0.000 0.859 665 N CB -0.657 37.842 38.487 0.021 0.000 0.883 665 N HN 1.061 nan 8.380 nan 0.000 0.676 666 D N 0.467 120.884 120.400 0.028 0.000 2.333 666 D HA 0.161 4.801 4.640 -0.000 0.000 0.225 666 D C -0.924 175.389 176.300 0.020 0.000 1.345 666 D CA -0.213 53.824 54.000 0.062 0.000 0.971 666 D CB 0.247 41.096 40.800 0.083 0.000 1.451 666 D HN 0.517 nan 8.370 nan 0.000 0.561 667 E N 1.184 121.371 120.200 -0.021 0.000 2.024 667 E HA -0.189 4.161 4.350 -0.000 0.000 0.163 667 E C -1.753 174.830 176.600 -0.028 0.000 1.490 667 E CA 0.116 56.483 56.400 -0.054 0.000 0.586 667 E CB -1.283 28.345 29.700 -0.119 0.000 1.041 667 E HN 0.451 nan 8.360 nan 0.000 0.296 668 P HA -0.034 nan 4.420 nan 0.000 0.299 668 P C 0.611 177.897 177.300 -0.024 0.000 1.515 668 P CA -0.161 62.928 63.100 -0.019 0.000 0.770 668 P CB -0.494 31.196 31.700 -0.016 0.000 1.614 669 c N 0.935 119.517 118.600 -0.030 0.000 2.149 669 c HA -0.054 4.515 4.570 -0.000 0.000 0.391 669 c C 0.646 174.714 174.090 -0.036 0.000 1.484 669 c CA 0.465 56.773 56.329 -0.036 0.000 1.517 669 c CB -1.122 41.368 42.510 -0.034 0.000 2.605 669 c HN 0.332 nan 8.230 nan 0.000 0.561 670 K N 3.912 124.286 120.400 -0.044 0.000 2.762 670 K HA 0.304 4.624 4.320 -0.000 0.000 0.272 670 K C -0.076 176.492 176.600 -0.053 0.000 1.093 670 K CA 0.122 56.384 56.287 -0.042 0.000 1.048 670 K CB 0.080 32.561 32.500 -0.033 0.000 1.304 670 K HN 0.865 nan 8.250 nan 0.000 0.511 671 E N 3.521 123.684 120.200 -0.063 0.000 2.320 671 E HA -0.263 4.087 4.350 -0.000 0.000 0.234 671 E C 0.315 176.869 176.600 -0.076 0.000 1.183 671 E CA 0.800 57.157 56.400 -0.070 0.000 0.713 671 E CB -1.009 28.663 29.700 -0.046 0.000 1.226 671 E HN 0.669 nan 8.360 nan 0.000 0.382 672 I N 0.209 120.725 120.570 -0.090 0.000 4.035 672 I HA 0.083 4.253 4.170 -0.000 0.000 0.321 672 I C 1.326 177.382 176.117 -0.102 0.000 1.289 672 I CA -0.182 61.072 61.300 -0.077 0.000 1.236 672 I CB 0.410 38.366 38.000 -0.074 0.000 1.076 672 I HN 0.272 nan 8.210 nan 0.000 0.418 680 Q N 2.019 121.824 119.800 0.008 0.000 2.424 680 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 680 Q C 1.157 177.162 176.000 0.009 0.000 0.933 680 Q CA 1.093 56.897 55.803 0.002 0.000 0.929 680 Q CB 0.201 28.945 28.738 0.009 0.000 1.037 680 Q HN 0.504 nan 8.270 nan 0.000 0.511 681 K N 0.868 121.282 120.400 0.022 0.000 2.217 681 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 681 K C 1.966 178.584 176.600 0.029 0.000 1.051 681 K CA 1.282 57.590 56.287 0.035 0.000 0.952 681 K CB 0.018 32.541 32.500 0.039 0.000 0.736 681 K HN 0.037 nan 8.250 nan 0.000 0.453 682 K N 2.084 122.495 120.400 0.018 0.000 2.211 682 K HA -0.062 4.257 4.320 -0.000 0.000 0.203 682 K C 1.517 178.126 176.600 0.014 0.000 1.050 682 K CA 1.222 57.518 56.287 0.015 0.000 0.945 682 K CB -0.102 32.403 32.500 0.008 0.000 0.732 682 K HN 0.201 nan 8.250 nan 0.000 0.451 683 I N -0.033 120.543 120.570 0.009 0.000 2.585 683 I HA -0.039 4.131 4.170 -0.000 0.000 0.254 683 I C 1.782 177.919 176.117 0.034 0.000 1.129 683 I CA 0.657 61.962 61.300 0.008 0.000 1.455 683 I CB -0.278 37.710 38.000 -0.021 0.000 1.111 683 I HN 0.122 nan 8.210 nan 0.000 0.433 684 E N 1.565 121.791 120.200 0.043 0.000 2.409 684 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 684 E C 1.807 178.454 176.600 0.077 0.000 1.024 684 E CA 0.903 57.353 56.400 0.084 0.000 0.861 684 E CB -0.015 29.744 29.700 0.098 0.000 0.788 684 E HN 0.648 nan 8.360 nan 0.000 0.521 685 E N 0.597 120.830 120.200 0.056 0.000 2.216 685 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 685 E C 1.343 177.975 176.600 0.054 0.000 0.988 685 E CA 0.435 56.864 56.400 0.048 0.000 0.834 685 E CB 0.000 29.722 29.700 0.036 0.000 0.772 685 E HN 0.172 nan 8.360 nan 0.000 0.479 686 I N 1.934 122.540 120.570 0.059 0.000 3.616 686 I HA 0.057 4.227 4.170 -0.000 0.000 0.306 686 I C 1.581 177.752 176.117 0.089 0.000 1.232 686 I CA 0.266 61.605 61.300 0.065 0.000 1.182 686 I CB -1.207 36.826 38.000 0.054 0.000 1.007 686 I HN 0.098 nan 8.210 nan 0.000 0.479 687 A N 0.922 123.799 122.820 0.095 0.000 2.235 687 A HA 0.239 4.559 4.320 -0.000 0.000 0.208 687 A C 2.334 179.989 177.584 0.119 0.000 1.172 687 A CA 0.876 52.979 52.037 0.110 0.000 0.786 687 A CB -0.179 18.870 19.000 0.082 0.000 0.804 687 A HN 0.410 nan 8.150 nan 0.000 0.479 688 A N 0.924 123.800 122.820 0.093 0.000 2.178 688 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 688 A C 1.638 179.280 177.584 0.096 0.000 1.157 688 A CA 1.374 53.463 52.037 0.087 0.000 0.689 688 A CB -0.445 18.591 19.000 0.060 0.000 0.787 688 A HN 0.657 nan 8.150 nan 0.000 0.465 689 K N -0.875 119.588 120.400 0.105 0.000 2.681 689 K HA 0.198 4.517 4.320 -0.000 0.000 0.211 689 K C -0.228 176.444 176.600 0.119 0.000 1.075 689 K CA -0.799 55.542 56.287 0.090 0.000 1.141 689 K CB -0.343 32.201 32.500 0.073 0.000 0.896 689 K HN 0.272 nan 8.250 nan 0.000 0.470 690 Y N 3.303 123.627 120.300 0.039 0.000 2.610 690 Y HA -0.075 4.475 4.550 -0.000 0.000 0.332 690 Y C 0.368 176.297 175.900 0.048 0.000 1.201 690 Y CA 0.550 58.673 58.100 0.039 0.000 1.465 690 Y CB 0.713 39.185 38.460 0.019 0.000 1.283 690 Y HN 0.436 nan 8.280 nan 0.000 0.563 691 K N 2.634 122.620 120.400 -0.691 0.000 2.541 691 K HA 0.144 4.464 4.320 -0.000 0.000 0.151 691 K C -1.118 175.323 176.600 -0.264 0.000 1.459 691 K CA -0.425 55.522 56.287 -0.566 0.000 1.096 691 K CB -0.670 31.700 32.500 -0.217 0.000 1.331 691 K HN 0.749 nan 8.250 nan 0.000 0.480 692 H N -0.747 118.137 119.070 -0.311 0.000 2.868 692 H HA 0.038 4.593 4.556 -0.000 0.000 0.258 692 H C 0.304 175.738 175.328 0.176 0.000 1.271 692 H CA 0.089 56.135 56.048 -0.002 0.000 1.607 692 H CB 1.099 30.851 29.762 -0.016 0.000 1.874 692 H HN -0.003 nan 8.280 nan 0.000 0.487 693 S N 1.224 116.765 115.700 -0.265 0.000 2.353 693 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 693 S C 1.752 176.310 174.600 -0.070 0.000 1.035 693 S CA 2.098 60.213 58.200 -0.142 0.000 1.025 693 S CB -0.367 62.689 63.200 -0.239 0.000 0.902 693 S HN 0.386 nan 8.310 nan 0.000 0.440 694 V N 1.794 121.640 119.914 -0.114 0.000 2.660 694 V HA -0.127 3.993 4.120 -0.000 0.000 0.257 694 V C 2.374 178.536 176.094 0.113 0.000 1.088 694 V CA 1.657 63.995 62.300 0.063 0.000 1.106 694 V CB -0.855 31.083 31.823 0.192 0.000 0.686 694 V HN 0.485 nan 8.190 nan 0.000 0.481 695 V N -0.113 119.886 119.914 0.143 0.000 2.591 695 V HA -0.146 3.973 4.120 -0.000 0.000 0.249 695 V C 2.409 178.587 176.094 0.140 0.000 1.053 695 V CA 1.754 64.138 62.300 0.139 0.000 1.068 695 V CB -0.536 31.369 31.823 0.136 0.000 0.689 695 V HN 0.553 nan 8.190 nan 0.000 0.462 696 K N 2.145 122.622 120.400 0.128 0.000 1.977 696 K HA -0.271 4.048 4.320 -0.000 0.000 0.218 696 K C 2.089 178.768 176.600 0.133 0.000 1.051 696 K CA 2.423 58.779 56.287 0.115 0.000 0.953 696 K CB -0.694 31.831 32.500 0.042 0.000 0.727 696 K HN 0.253 nan 8.250 nan 0.000 0.445 697 K N 0.342 120.787 120.400 0.076 0.000 2.127 697 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 697 K C 2.015 178.718 176.600 0.171 0.000 1.047 697 K CA 2.013 58.362 56.287 0.105 0.000 0.927 697 K CB -0.991 31.536 32.500 0.045 0.000 0.716 697 K HN 0.385 nan 8.250 nan 0.000 0.450 698 c N -0.472 118.219 118.600 0.151 0.000 2.388 698 c HA -0.192 4.378 4.570 -0.000 0.000 0.277 698 c C 3.092 177.358 174.090 0.293 0.000 1.210 698 c CA 1.104 57.540 56.329 0.178 0.000 1.743 698 c CB -1.211 41.387 42.510 0.146 0.000 2.047 698 c HN 0.824 nan 8.230 nan 0.000 0.458 699 c N -1.237 117.512 118.600 0.249 0.000 2.476 699 c HA -0.085 4.485 4.570 -0.000 0.000 0.278 699 c C 2.481 176.703 174.090 0.221 0.000 1.274 699 c CA 1.153 57.616 56.329 0.224 0.000 1.713 699 c CB -1.693 40.918 42.510 0.167 0.000 2.039 699 c HN 0.664 nan 8.230 nan 0.000 0.484 700 Y N 2.587 122.950 120.300 0.105 0.000 1.979 700 Y HA -0.249 4.300 4.550 -0.000 0.000 0.262 700 Y C 2.334 178.291 175.900 0.094 0.000 1.142 700 Y CA 2.777 60.925 58.100 0.081 0.000 1.096 700 Y CB -0.381 38.117 38.460 0.063 0.000 0.958 700 Y HN 0.570 nan 8.280 nan 0.000 0.484 701 D N -0.780 119.803 120.400 0.304 0.000 2.392 701 D HA -0.042 4.597 4.640 -0.000 0.000 0.228 701 D C 1.985 178.447 176.300 0.271 0.000 1.003 701 D CA 1.002 55.131 54.000 0.214 0.000 0.917 701 D CB -0.962 39.955 40.800 0.196 0.000 0.890 701 D HN 0.441 nan 8.370 nan 0.000 0.532 702 G N 0.519 109.516 108.800 0.329 0.000 2.404 702 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.215 702 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.215 702 G C 1.678 176.564 174.900 -0.023 0.000 1.174 702 G CA 0.926 46.300 45.100 0.458 0.000 0.780 702 G HN 0.471 nan 8.290 nan 0.000 0.537 703 A N -0.527 122.270 122.820 -0.039 0.000 2.021 703 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 703 A C 2.333 179.883 177.584 -0.056 0.000 1.163 703 A CA 1.232 53.206 52.037 -0.105 0.000 0.676 703 A CB -1.046 17.897 19.000 -0.095 0.000 0.818 703 A HN 0.451 nan 8.150 nan 0.000 0.453 704 C N -0.912 118.382 119.300 -0.011 0.000 2.170 704 C HA -0.247 4.213 4.460 -0.000 0.000 0.240 704 C C 0.998 175.980 174.990 -0.013 0.000 1.066 704 C CA 2.301 61.312 59.018 -0.011 0.000 1.796 704 C CB -1.082 26.680 27.740 0.038 0.000 1.555 704 C HN 1.274 nan 8.230 nan 0.000 0.365 705 V N -1.089 118.831 119.914 0.009 0.000 3.566 705 V HA 0.404 4.523 4.120 -0.000 0.000 0.254 705 V C -0.983 175.124 176.094 0.023 0.000 0.864 705 V CA -0.449 61.857 62.300 0.010 0.000 1.124 705 V CB 0.097 31.930 31.823 0.017 0.000 0.884 705 V HN 0.665 nan 8.190 nan 0.000 0.504 706 N N 3.458 122.168 118.700 0.018 0.000 2.617 706 N HA 0.403 5.143 4.740 -0.000 0.000 0.263 706 N C 0.404 175.926 175.510 0.021 0.000 1.074 706 N CA -0.172 52.898 53.050 0.033 0.000 0.841 706 N CB 1.857 40.382 38.487 0.063 0.000 1.221 706 N HN 0.781 nan 8.380 nan 0.000 0.529 707 N N 0.864 119.576 118.700 0.020 0.000 2.280 707 N HA 0.073 4.812 4.740 -0.000 0.000 0.192 707 N C 0.005 175.524 175.510 0.015 0.000 1.109 707 N CA 0.060 53.117 53.050 0.011 0.000 0.855 707 N CB 0.595 39.086 38.487 0.006 0.000 0.974 707 N HN 0.270 nan 8.380 nan 0.000 0.482 708 D N 0.539 120.955 120.400 0.026 0.000 2.350 708 D HA 0.043 4.683 4.640 -0.000 0.000 0.213 708 D C -0.068 176.251 176.300 0.033 0.000 1.031 708 D CA 0.430 54.447 54.000 0.028 0.000 0.861 708 D CB 0.519 41.340 40.800 0.035 0.000 0.926 708 D HN 0.616 nan 8.370 nan 0.000 0.520 709 E N -0.956 119.266 120.200 0.036 0.000 2.390 709 E HA 0.320 4.669 4.350 -0.000 0.000 0.277 709 E C -0.191 176.428 176.600 0.033 0.000 0.939 709 E CA -0.874 55.550 56.400 0.040 0.000 0.769 709 E CB 1.136 30.869 29.700 0.055 0.000 1.251 709 E HN -0.100 nan 8.360 nan 0.000 0.450 710 T N -1.565 113.007 114.554 0.029 0.000 2.663 710 T HA -0.043 4.307 4.350 -0.000 0.000 0.325 710 T C 1.100 175.811 174.700 0.017 0.000 1.059 710 T CA -0.082 62.029 62.100 0.017 0.000 1.039 710 T CB 0.715 69.595 68.868 0.020 0.000 0.996 710 T HN 0.674 nan 8.240 nan 0.000 0.539 711 c N 1.399 119.989 118.600 -0.016 0.000 2.462 711 c HA -0.013 4.557 4.570 -0.000 0.000 0.278 711 c C 2.783 176.898 174.090 0.042 0.000 1.253 711 c CA 1.271 57.566 56.329 -0.057 0.000 1.713 711 c CB -1.516 40.920 42.510 -0.124 0.000 2.049 711 c HN 1.079 nan 8.230 nan 0.000 0.477 712 E N 0.096 120.326 120.200 0.049 0.000 2.478 712 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 712 E C 1.692 178.349 176.600 0.096 0.000 1.046 712 E CA 0.734 57.186 56.400 0.088 0.000 0.870 712 E CB -0.355 29.381 29.700 0.059 0.000 0.818 712 E HN 0.684 nan 8.360 nan 0.000 0.527 713 Q N 0.718 120.569 119.800 0.086 0.000 2.083 713 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 713 Q C 2.123 178.190 176.000 0.111 0.000 0.969 713 Q CA 1.229 57.081 55.803 0.081 0.000 0.838 713 Q CB 0.093 28.869 28.738 0.064 0.000 0.900 713 Q HN 0.245 nan 8.270 nan 0.000 0.436 714 R N 0.226 120.831 120.500 0.174 0.000 2.066 714 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 714 R C 2.270 178.729 176.300 0.264 0.000 1.131 714 R CA 1.206 57.463 56.100 0.262 0.000 0.955 714 R CB -0.393 30.179 30.300 0.453 0.000 0.851 714 R HN 0.179 nan 8.270 nan 0.000 0.432 715 A N 1.351 124.404 122.820 0.388 0.000 1.978 715 A HA -0.153 4.166 4.320 -0.000 0.000 0.220 715 A C 2.365 180.003 177.584 0.089 0.000 1.170 715 A CA 1.679 53.880 52.037 0.274 0.000 0.636 715 A CB -0.717 18.478 19.000 0.324 0.000 0.810 715 A HN 0.412 nan 8.150 nan 0.000 0.448 716 A N -0.185 122.687 122.820 0.087 0.000 1.873 716 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 716 A C 2.201 179.793 177.584 0.014 0.000 1.193 716 A CA 1.859 53.924 52.037 0.046 0.000 0.629 716 A CB -0.527 18.501 19.000 0.047 0.000 0.826 716 A HN 0.505 nan 8.150 nan 0.000 0.447 717 R N -0.615 119.886 120.500 0.001 0.000 2.357 717 R HA 0.096 4.436 4.340 -0.000 0.000 0.202 717 R C -0.258 176.005 176.300 -0.062 0.000 1.047 717 R CA -0.046 56.036 56.100 -0.030 0.000 1.034 717 R CB -0.442 29.836 30.300 -0.037 0.000 0.875 717 R HN 0.546 nan 8.270 nan 0.000 0.473 718 I N 0.061 120.580 120.570 -0.084 0.000 2.496 718 I HA -0.080 4.089 4.170 -0.000 0.000 0.285 718 I C 1.133 177.220 176.117 -0.050 0.000 1.080 718 I CA 0.206 61.433 61.300 -0.121 0.000 1.404 718 I CB 1.737 39.632 38.000 -0.174 0.000 1.403 718 I HN 0.062 nan 8.210 nan 0.000 0.539 719 S N 5.174 120.853 115.700 -0.034 0.000 2.691 719 S HA 0.151 4.621 4.470 -0.000 0.000 0.241 719 S C 1.755 176.362 174.600 0.012 0.000 1.077 719 S CA -0.069 58.133 58.200 0.005 0.000 0.900 719 S CB 0.006 63.223 63.200 0.029 0.000 0.805 719 S HN 0.628 nan 8.310 nan 0.000 0.529 720 L N 1.201 122.428 121.223 0.008 0.000 2.198 720 L HA -0.098 4.242 4.340 -0.000 0.000 0.218 720 L C 1.190 178.077 176.870 0.029 0.000 1.084 720 L CA 1.228 56.084 54.840 0.028 0.000 0.779 720 L CB -0.895 41.179 42.059 0.025 0.000 0.890 720 L HN 0.590 nan 8.230 nan 0.000 0.439 721 G N -2.828 105.983 108.800 0.018 0.000 2.196 721 G HA2 0.117 4.077 3.960 -0.000 0.000 0.215 721 G HA3 0.117 4.077 3.960 -0.000 0.000 0.215 721 G C -2.502 172.409 174.900 0.019 0.000 1.640 721 G CA -0.825 44.285 45.100 0.017 0.000 0.946 721 G HN -0.272 nan 8.290 nan 0.000 0.710 722 P HA -0.149 nan 4.420 nan 0.000 0.225 722 P C 1.836 179.154 177.300 0.029 0.000 1.141 722 P CA 0.857 63.973 63.100 0.026 0.000 0.774 722 P CB 0.064 31.777 31.700 0.021 0.000 0.760 723 R N -0.878 119.636 120.500 0.022 0.000 2.115 723 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 723 R C 2.120 178.447 176.300 0.045 0.000 1.111 723 R CA 1.742 57.855 56.100 0.022 0.000 0.976 723 R CB -1.196 29.106 30.300 0.004 0.000 0.870 723 R HN 0.397 nan 8.270 nan 0.000 0.445 724 c N -1.720 116.915 118.600 0.058 0.000 3.228 724 c HA 0.420 4.990 4.570 -0.000 0.000 0.290 724 c C 2.185 176.345 174.090 0.117 0.000 1.301 724 c CA -0.802 55.579 56.329 0.088 0.000 1.703 724 c CB -0.478 42.085 42.510 0.089 0.000 2.141 724 c HN 0.303 nan 8.230 nan 0.000 0.656 725 I N 1.889 122.517 120.570 0.096 0.000 2.248 725 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 725 I C 2.773 178.998 176.117 0.180 0.000 1.107 725 I CA 1.682 63.066 61.300 0.139 0.000 1.373 725 I CB -0.374 37.684 38.000 0.096 0.000 1.055 725 I HN 0.404 nan 8.210 nan 0.000 0.418 726 K N 0.794 121.265 120.400 0.119 0.000 2.002 726 K HA -0.139 4.180 4.320 -0.000 0.000 0.209 726 K C 2.256 178.923 176.600 0.111 0.000 1.048 726 K CA 1.483 57.828 56.287 0.097 0.000 0.930 726 K CB -0.263 32.276 32.500 0.066 0.000 0.714 726 K HN 0.291 nan 8.250 nan 0.000 0.438 727 A N 0.725 123.620 122.820 0.126 0.000 2.084 727 A HA -0.204 4.115 4.320 -0.000 0.000 0.221 727 A C 1.880 179.575 177.584 0.186 0.000 1.161 727 A CA 1.320 53.440 52.037 0.137 0.000 0.653 727 A CB -0.530 18.555 19.000 0.141 0.000 0.802 727 A HN 0.357 nan 8.150 nan 0.000 0.457 728 F N 1.295 121.273 119.950 0.046 0.000 2.123 728 F HA -0.060 4.466 4.527 -0.001 0.000 0.289 728 F C 2.662 178.482 175.800 0.032 0.000 1.099 728 F CA 2.139 60.164 58.000 0.042 0.000 1.234 728 F CB -0.803 38.222 39.000 0.042 0.000 1.034 728 F HN 0.256 nan 8.300 nan 0.000 0.479 729 T N -0.827 113.727 114.554 0.000 0.000 2.788 729 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 729 T C 1.777 176.422 174.700 -0.092 0.000 1.044 729 T CA 1.313 63.350 62.100 -0.104 0.000 1.139 729 T CB -0.467 68.410 68.868 0.016 0.000 0.867 729 T HN 0.251 nan 8.240 nan 0.000 0.454 730 E N 0.865 121.049 120.200 -0.026 0.000 2.000 730 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 730 E C 2.617 179.190 176.600 -0.046 0.000 1.011 730 E CA 1.557 57.946 56.400 -0.018 0.000 0.836 730 E CB -0.703 29.007 29.700 0.017 0.000 0.778 730 E HN 0.507 nan 8.360 nan 0.000 0.462 731 c N 0.835 119.413 118.600 -0.037 0.000 2.410 731 c HA -0.146 4.424 4.570 -0.000 0.000 0.281 731 c C 3.003 177.032 174.090 -0.103 0.000 1.318 731 c CA 0.344 56.647 56.329 -0.043 0.000 1.776 731 c CB -1.290 41.219 42.510 -0.002 0.000 1.942 731 c HN 0.608 nan 8.230 nan 0.000 0.508 732 c N 0.312 118.794 118.600 -0.196 0.000 2.462 732 c HA -0.051 4.519 4.570 -0.000 0.000 0.278 732 c C 2.815 176.811 174.090 -0.157 0.000 1.253 732 c CA 1.495 57.669 56.329 -0.258 0.000 1.713 732 c CB -1.243 40.968 42.510 -0.498 0.000 2.049 732 c HN 0.469 nan 8.230 nan 0.000 0.477 733 V N 0.919 120.757 119.914 -0.127 0.000 2.255 733 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 733 V C 2.561 178.620 176.094 -0.058 0.000 1.051 733 V CA 2.374 64.627 62.300 -0.079 0.000 1.018 733 V CB -0.830 30.959 31.823 -0.057 0.000 0.641 733 V HN 0.530 nan 8.190 nan 0.000 0.445 734 V N 0.351 120.234 119.914 -0.052 0.000 2.277 734 V HA -0.362 3.757 4.120 -0.000 0.000 0.253 734 V C 2.524 178.596 176.094 -0.037 0.000 1.067 734 V CA 2.482 64.761 62.300 -0.036 0.000 1.047 734 V CB -1.085 30.722 31.823 -0.027 0.000 0.649 734 V HN 0.611 nan 8.190 nan 0.000 0.447 735 A N -1.566 121.223 122.820 -0.051 0.000 2.169 735 A HA -0.008 4.312 4.320 -0.000 0.000 0.212 735 A C 2.324 179.883 177.584 -0.043 0.000 1.153 735 A CA 1.325 53.335 52.037 -0.046 0.000 0.756 735 A CB -0.208 18.758 19.000 -0.057 0.000 0.813 735 A HN 0.504 nan 8.150 nan 0.000 0.471 736 S N -0.073 115.598 115.700 -0.049 0.000 2.404 736 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 736 S C 2.010 176.591 174.600 -0.031 0.000 1.040 736 S CA 0.836 59.010 58.200 -0.042 0.000 0.957 736 S CB -0.158 63.011 63.200 -0.052 0.000 0.826 736 S HN 0.676 nan 8.310 nan 0.000 0.491 737 Q N 0.925 120.708 119.800 -0.029 0.000 2.167 737 Q HA 0.048 4.387 4.340 -0.000 0.000 0.202 737 Q C 2.121 178.110 176.000 -0.019 0.000 0.970 737 Q CA 0.676 56.466 55.803 -0.022 0.000 0.855 737 Q CB -0.662 28.064 28.738 -0.019 0.000 0.911 737 Q HN 0.400 nan 8.270 nan 0.000 0.438 738 L N 2.153 123.364 121.223 -0.020 0.000 2.131 738 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 738 L C 2.506 179.366 176.870 -0.015 0.000 1.092 738 L CA 1.567 56.398 54.840 -0.016 0.000 0.759 738 L CB -0.217 41.833 42.059 -0.015 0.000 0.903 738 L HN 0.182 nan 8.230 nan 0.000 0.435 739 R N -0.862 119.627 120.500 -0.018 0.000 2.276 739 R HA 0.084 4.424 4.340 -0.000 0.000 0.203 739 R C 1.764 178.050 176.300 -0.024 0.000 1.017 739 R CA 0.878 56.966 56.100 -0.020 0.000 1.010 739 R CB -0.615 29.672 30.300 -0.021 0.000 0.900 739 R HN 0.302 nan 8.270 nan 0.000 0.469 740 A N 1.009 123.817 122.820 -0.021 0.000 2.119 740 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 740 A C 1.206 178.780 177.584 -0.018 0.000 1.152 740 A CA 0.955 52.980 52.037 -0.020 0.000 0.708 740 A CB -0.260 18.730 19.000 -0.017 0.000 0.805 740 A HN 0.526 nan 8.150 nan 0.000 0.460 741 N N -0.957 117.734 118.700 -0.016 0.000 2.460 741 N HA 0.213 4.953 4.740 -0.000 0.000 0.193 741 N C 1.219 176.721 175.510 -0.013 0.000 1.080 741 N CA 0.217 53.259 53.050 -0.013 0.000 0.869 741 N CB 0.130 38.611 38.487 -0.010 0.000 1.201 741 N HN 0.373 nan 8.380 nan 0.000 0.457 742 I N 0.557 121.119 120.570 -0.014 0.000 2.756 742 I HA -0.074 4.096 4.170 -0.000 0.000 0.262 742 I C 0.402 176.509 176.117 -0.017 0.000 1.225 742 I CA 0.408 61.700 61.300 -0.013 0.000 1.472 742 I CB -0.360 37.634 38.000 -0.010 0.000 1.094 742 I HN 0.122 nan 8.210 nan 0.000 0.454 750 G N 0.720 109.518 108.800 -0.003 0.000 4.250 750 G HA2 0.279 4.238 3.960 -0.000 0.000 0.295 750 G HA3 0.279 4.238 3.960 -0.000 0.000 0.295 750 G C -0.461 174.419 174.900 -0.034 0.000 1.081 750 G CA -0.364 44.726 45.100 -0.017 0.000 0.854 750 G HN 0.158 nan 8.290 nan 0.000 0.524 751 R N 0.885 121.359 120.500 -0.043 0.000 2.235 751 R HA 0.469 4.809 4.340 -0.000 0.000 0.338 751 R C -1.225 174.853 176.300 -0.370 0.000 1.087 751 R CA -0.583 55.455 56.100 -0.104 0.000 0.948 751 R CB 1.097 31.442 30.300 0.076 0.000 1.099 751 R HN 0.277 nan 8.270 nan 0.000 0.483 752 L N 3.047 123.877 121.223 -0.655 0.000 2.464 752 L HA 0.438 4.778 4.340 -0.000 0.000 0.266 752 L C -1.517 174.911 176.870 -0.737 0.000 0.965 752 L CA -0.536 53.928 54.840 -0.626 0.000 0.833 752 L CB 1.633 43.548 42.059 -0.240 0.000 1.296 752 L HN 0.688 nan 8.230 nan 0.000 0.405 753 H N 4.209 123.305 119.070 0.044 0.000 3.198 753 H HA 0.496 5.051 4.556 -0.001 0.000 0.317 753 H C -0.573 174.796 175.328 0.068 0.000 1.178 753 H CA -0.768 55.307 56.048 0.044 0.000 1.609 753 H CB 0.554 30.343 29.762 0.046 0.000 1.819 753 H HN 0.538 nan 8.280 nan 0.000 0.533 754 M N 1.959 121.630 119.600 0.118 0.000 2.061 754 M HA 0.275 4.755 4.480 -0.000 0.000 0.266 754 M C 0.030 176.402 176.300 0.120 0.000 1.284 754 M CA 0.445 55.808 55.300 0.104 0.000 1.112 754 M CB 0.409 33.035 32.600 0.042 0.000 1.365 754 M HN 0.384 nan 8.290 nan 0.000 0.453 755 K N -0.703 119.771 120.400 0.123 0.000 2.809 755 K HA 0.449 4.769 4.320 -0.000 0.000 0.293 755 K C -1.630 175.008 176.600 0.065 0.000 1.061 755 K CA -0.656 55.665 56.287 0.058 0.000 0.837 755 K CB 1.784 34.230 32.500 -0.090 0.000 1.524 755 K HN 0.697 nan 8.250 nan 0.000 0.370 756 T N 1.296 115.834 114.554 -0.028 0.000 3.505 756 T HA 0.164 4.513 4.350 -0.000 0.000 0.308 756 T C -0.837 173.839 174.700 -0.040 0.000 0.767 756 T CA -0.592 61.467 62.100 -0.070 0.000 1.194 756 T CB 0.350 69.031 68.868 -0.313 0.000 0.997 756 T HN 0.404 nan 8.240 nan 0.000 0.504 757 L N 3.194 124.469 121.223 0.086 0.000 2.529 757 L HA 0.519 4.858 4.340 -0.000 0.000 0.287 757 L C -0.455 176.551 176.870 0.226 0.000 1.241 757 L CA 0.585 55.485 54.840 0.101 0.000 0.857 757 L CB 0.281 42.399 42.059 0.098 0.000 1.113 757 L HN 0.691 nan 8.230 nan 0.000 0.504 758 L N 5.867 127.213 121.223 0.204 0.000 3.096 758 L HA 0.211 4.551 4.340 -0.000 0.000 0.242 758 L C -2.065 174.862 176.870 0.096 0.000 0.957 758 L CA -0.886 54.061 54.840 0.178 0.000 1.141 758 L CB 1.630 43.842 42.059 0.255 0.000 1.584 758 L HN 0.516 nan 8.230 nan 0.000 0.570 759 P HA -0.049 nan 4.420 nan 0.000 0.231 759 P C 1.020 178.329 177.300 0.015 0.000 1.154 759 P CA 0.802 63.920 63.100 0.031 0.000 0.762 759 P CB 0.012 31.729 31.700 0.029 0.000 0.790 760 V N -3.325 116.593 119.914 0.006 0.000 2.886 760 V HA -0.328 3.792 4.120 -0.000 0.000 0.162 760 V C 0.958 177.032 176.094 -0.033 0.000 0.448 760 V CA 1.093 63.382 62.300 -0.018 0.000 1.186 760 V CB -3.017 28.811 31.823 0.007 0.000 1.373 760 V HN 0.468 nan 8.190 nan 0.000 1.100 761 S N -1.428 114.250 115.700 -0.036 0.000 3.593 761 S HA -0.207 4.263 4.470 -0.000 0.000 0.301 761 S C 0.204 174.792 174.600 -0.020 0.000 1.209 761 S CA 1.620 59.793 58.200 -0.045 0.000 0.878 761 S CB -0.910 62.251 63.200 -0.065 0.000 1.000 761 S HN 0.933 nan 8.310 nan 0.000 0.578 762 K N 1.421 121.813 120.400 -0.012 0.000 2.258 762 K HA 0.394 4.714 4.320 -0.000 0.000 0.284 762 K C -2.676 173.903 176.600 -0.035 0.000 1.051 762 K CA -1.878 54.400 56.287 -0.016 0.000 0.923 762 K CB 0.700 33.183 32.500 -0.028 0.000 1.046 762 K HN 0.095 nan 8.250 nan 0.000 0.474 763 P HA -0.008 nan 4.420 nan 0.000 0.263 763 P C -0.947 176.278 177.300 -0.126 0.000 1.601 763 P CA -0.088 62.991 63.100 -0.035 0.000 1.161 763 P CB 0.138 31.857 31.700 0.031 0.000 1.730 764 E N 2.763 122.896 120.200 -0.111 0.000 2.280 764 E HA 0.624 4.973 4.350 -0.000 0.000 0.261 764 E C -0.517 176.017 176.600 -0.109 0.000 1.088 764 E CA -1.092 55.219 56.400 -0.149 0.000 0.915 764 E CB 1.613 31.229 29.700 -0.139 0.000 1.141 764 E HN 0.193 nan 8.360 nan 0.000 0.433 765 I N 0.822 121.298 120.570 -0.156 0.000 2.606 765 I HA 0.084 4.253 4.170 -0.000 0.000 0.275 765 I C -0.114 175.824 176.117 -0.298 0.000 1.220 765 I CA -0.519 60.702 61.300 -0.132 0.000 1.098 765 I CB 0.934 38.930 38.000 -0.008 0.000 1.321 765 I HN 0.454 nan 8.210 nan 0.000 0.468 766 R N 3.773 124.090 120.500 -0.304 0.000 2.391 766 R HA 0.144 4.484 4.340 -0.000 0.000 0.225 766 R C 0.026 176.126 176.300 -0.333 0.000 1.079 766 R CA 0.181 56.016 56.100 -0.442 0.000 1.147 766 R CB -0.754 29.371 30.300 -0.291 0.000 1.103 766 R HN 0.593 nan 8.270 nan 0.000 0.499 767 S N -1.062 114.496 115.700 -0.237 0.000 2.575 767 S HA 0.338 4.808 4.470 -0.000 0.000 0.278 767 S C -0.983 173.498 174.600 -0.199 0.000 1.139 767 S CA -1.029 57.092 58.200 -0.132 0.000 0.954 767 S CB 1.627 64.686 63.200 -0.234 0.000 1.054 767 S HN 0.242 nan 8.310 nan 0.000 0.483 768 Y N 2.626 122.845 120.300 -0.134 0.000 2.316 768 Y HA 0.690 5.240 4.550 -0.000 0.000 0.324 768 Y C -1.403 174.143 175.900 -0.590 0.000 1.267 768 Y CA -0.849 57.096 58.100 -0.258 0.000 1.311 768 Y CB 0.821 39.138 38.460 -0.238 0.000 1.267 768 Y HN 0.681 nan 8.280 nan 0.000 0.516 769 F N 4.807 124.380 119.950 -0.629 0.000 2.539 769 F HA 0.427 4.954 4.527 -0.000 0.000 0.328 769 F C -2.408 173.084 175.800 -0.514 0.000 1.148 769 F CA -2.713 55.066 58.000 -0.369 0.000 0.940 769 F CB 1.222 40.054 39.000 -0.279 0.000 1.194 769 F HN 0.374 nan 8.300 nan 0.000 0.438 770 P HA -0.047 nan 4.420 nan 0.000 0.265 770 P C -0.048 177.443 177.300 0.318 0.000 1.187 770 P CA -0.043 63.308 63.100 0.418 0.000 0.766 770 P CB 0.600 32.606 31.700 0.510 0.000 0.820 771 E N 1.920 122.294 120.200 0.291 0.000 2.481 771 E HA 0.023 4.373 4.350 -0.000 0.000 0.263 771 E C -0.304 176.459 176.600 0.273 0.000 0.992 771 E CA 0.155 56.676 56.400 0.202 0.000 0.938 771 E CB 0.343 30.133 29.700 0.151 0.000 0.933 771 E HN 0.366 nan 8.360 nan 0.000 0.453 772 S N 3.305 119.113 115.700 0.181 0.000 2.655 772 S HA 0.471 4.941 4.470 -0.000 0.000 0.265 772 S C -0.630 174.100 174.600 0.215 0.000 1.240 772 S CA -0.359 57.955 58.200 0.190 0.000 0.986 772 S CB 0.428 63.660 63.200 0.052 0.000 0.985 772 S HN 0.632 nan 8.310 nan 0.000 0.562 773 W N -1.543 119.664 121.300 -0.154 0.000 2.895 773 W HA 0.480 5.140 4.660 -0.000 0.000 0.377 773 W C -1.076 175.364 176.519 -0.132 0.000 1.191 773 W CA -1.029 56.215 57.345 -0.168 0.000 1.179 773 W CB -0.142 29.129 29.460 -0.315 0.000 1.469 773 W HN 0.571 nan 8.180 nan 0.000 0.577 774 L N 0.977 122.207 121.223 0.012 0.000 4.040 774 L HA -0.240 4.100 4.340 -0.000 0.000 0.410 774 L C 0.855 177.701 176.870 -0.041 0.000 1.187 774 L CA 0.914 55.644 54.840 -0.183 0.000 0.956 774 L CB -0.743 40.970 42.059 -0.577 0.000 2.022 774 L HN 0.768 nan 8.230 nan 0.000 0.897 775 W N 2.971 124.201 121.300 -0.117 0.000 3.446 775 W HA 0.070 4.730 4.660 -0.001 0.000 0.298 775 W C 0.891 177.387 176.519 -0.039 0.000 1.299 775 W CA 0.216 57.509 57.345 -0.087 0.000 1.686 775 W CB 0.071 29.485 29.460 -0.076 0.000 1.046 775 W HN 0.428 nan 8.180 nan 0.000 0.746 776 E N 0.776 120.980 120.200 0.007 0.000 2.343 776 E HA 0.271 4.620 4.350 -0.000 0.000 0.269 776 E C -0.213 176.386 176.600 -0.002 0.000 1.047 776 E CA -0.568 55.837 56.400 0.009 0.000 0.874 776 E CB 1.876 31.643 29.700 0.111 0.000 1.033 776 E HN -0.223 nan 8.360 nan 0.000 0.409 777 V N 2.007 121.896 119.914 -0.041 0.000 3.170 777 V HA 0.243 4.362 4.120 -0.000 0.000 0.309 777 V C 0.076 176.248 176.094 0.130 0.000 1.071 777 V CA -0.200 62.116 62.300 0.027 0.000 1.063 777 V CB 1.017 32.790 31.823 -0.083 0.000 1.123 777 V HN 0.669 nan 8.190 nan 0.000 0.464 778 H N 1.075 120.246 119.070 0.169 0.000 3.042 778 H HA 0.356 4.911 4.556 -0.000 0.000 0.346 778 H C -1.499 174.061 175.328 0.388 0.000 1.294 778 H CA -0.761 55.416 56.048 0.215 0.000 1.141 778 H CB 2.232 32.057 29.762 0.104 0.000 1.872 778 H HN 0.448 nan 8.280 nan 0.000 0.541 779 L N 3.019 124.450 121.223 0.347 0.000 2.321 779 L HA 0.291 4.630 4.340 -0.000 0.000 0.272 779 L C -1.154 175.643 176.870 -0.121 0.000 1.050 779 L CA -0.398 54.372 54.840 -0.117 0.000 0.893 779 L CB 0.204 42.121 42.059 -0.236 0.000 1.272 779 L HN 0.272 nan 8.230 nan 0.000 0.435 780 V N 7.047 126.883 119.914 -0.130 0.000 2.304 780 V HA 0.376 4.496 4.120 -0.000 0.000 0.269 780 V C -2.051 173.962 176.094 -0.136 0.000 1.036 780 V CA -1.306 60.943 62.300 -0.084 0.000 0.840 780 V CB 0.979 32.778 31.823 -0.040 0.000 1.036 780 V HN 0.641 nan 8.190 nan 0.000 0.466 781 P HA 0.347 nan 4.420 nan 0.000 0.256 781 P C 0.551 177.812 177.300 -0.064 0.000 1.689 781 P CA -0.296 62.741 63.100 -0.106 0.000 1.124 781 P CB 0.190 31.837 31.700 -0.087 0.000 1.766 782 R N 0.044 120.507 120.500 -0.062 0.000 3.995 782 R HA -0.234 4.106 4.340 -0.000 0.000 0.445 782 R C 0.233 176.519 176.300 -0.024 0.000 0.997 782 R CA 1.245 57.323 56.100 -0.037 0.000 1.513 782 R CB -1.201 29.082 30.300 -0.028 0.000 2.145 782 R HN 0.476 nan 8.270 nan 0.000 0.533 783 R N -0.674 119.811 120.500 -0.025 0.000 2.664 783 R HA 0.448 4.788 4.340 -0.000 0.000 0.260 783 R C -1.659 174.636 176.300 -0.007 0.000 1.062 783 R CA -0.887 55.207 56.100 -0.010 0.000 0.902 783 R CB 2.248 32.547 30.300 -0.001 0.000 1.258 783 R HN 0.077 nan 8.270 nan 0.000 0.465 784 K N 1.643 122.043 120.400 -0.000 0.000 2.688 784 K HA 0.104 4.424 4.320 -0.000 0.000 0.270 784 K C -2.204 174.400 176.600 0.006 0.000 1.013 784 K CA -0.527 55.768 56.287 0.013 0.000 0.924 784 K CB 2.123 34.639 32.500 0.028 0.000 1.378 784 K HN 0.595 nan 8.250 nan 0.000 0.402 785 Q N 5.099 124.913 119.800 0.023 0.000 2.323 785 Q HA 0.564 4.903 4.340 -0.000 0.000 0.271 785 Q C -1.602 174.427 176.000 0.048 0.000 1.048 785 Q CA -0.854 54.963 55.803 0.024 0.000 0.792 785 Q CB 1.454 30.206 28.738 0.024 0.000 1.280 785 Q HN 0.609 nan 8.270 nan 0.000 0.441 786 L N 2.030 123.291 121.223 0.064 0.000 2.489 786 L HA 0.394 4.734 4.340 -0.000 0.000 0.257 786 L C -0.077 176.914 176.870 0.202 0.000 1.215 786 L CA -1.048 53.874 54.840 0.136 0.000 0.915 786 L CB 0.963 43.115 42.059 0.155 0.000 1.146 786 L HN 0.630 nan 8.230 nan 0.000 0.494 787 Q N 2.005 121.857 119.800 0.087 0.000 2.624 787 Q HA 0.432 4.772 4.340 -0.000 0.000 0.256 787 Q C -0.834 175.265 176.000 0.165 0.000 1.119 787 Q CA 0.181 55.969 55.803 -0.024 0.000 0.995 787 Q CB 0.460 29.184 28.738 -0.024 0.000 1.318 787 Q HN 0.647 nan 8.270 nan 0.000 0.534 788 F N -4.520 115.459 119.950 0.048 0.000 2.822 788 F HA 0.596 5.122 4.527 -0.001 0.000 0.323 788 F C -2.038 173.778 175.800 0.027 0.000 1.133 788 F CA -0.902 57.125 58.000 0.045 0.000 0.941 788 F CB 0.295 39.343 39.000 0.080 0.000 1.263 788 F HN 0.750 nan 8.300 nan 0.000 0.451 789 A N 2.725 125.658 122.820 0.188 0.000 2.309 789 A HA 0.793 5.112 4.320 -0.000 0.000 0.298 789 A C -0.594 177.073 177.584 0.138 0.000 1.165 789 A CA -0.802 51.289 52.037 0.091 0.000 0.821 789 A CB 0.462 19.491 19.000 0.049 0.000 1.102 789 A HN 0.864 nan 8.150 nan 0.000 0.500 790 L N 1.703 122.987 121.223 0.102 0.000 2.453 790 L HA 0.500 4.840 4.340 -0.000 0.000 0.261 790 L C -2.326 174.498 176.870 -0.076 0.000 1.179 790 L CA -1.889 52.948 54.840 -0.004 0.000 0.813 790 L CB -0.709 41.487 42.059 0.229 0.000 1.110 790 L HN 0.330 nan 8.230 nan 0.000 0.466 791 P HA 0.014 nan 4.420 nan 0.000 0.271 791 P C -0.720 176.619 177.300 0.065 0.000 1.216 791 P CA -0.272 62.746 63.100 -0.137 0.000 0.771 791 P CB 0.336 31.910 31.700 -0.210 0.000 0.864 792 D N 1.969 122.384 120.400 0.026 0.000 2.389 792 D HA 0.134 4.774 4.640 -0.000 0.000 0.278 792 D C -0.626 175.707 176.300 0.055 0.000 1.398 792 D CA 1.048 55.070 54.000 0.035 0.000 1.090 792 D CB -0.677 40.127 40.800 0.008 0.000 1.108 792 D HN 0.182 nan 8.370 nan 0.000 0.532 793 S N 3.582 119.330 115.700 0.079 0.000 2.602 793 S HA 0.153 4.623 4.470 -0.000 0.000 0.301 793 S C -1.255 173.351 174.600 0.010 0.000 1.091 793 S CA -0.883 57.348 58.200 0.051 0.000 0.895 793 S CB 0.172 63.439 63.200 0.111 0.000 1.090 793 S HN 0.162 nan 8.310 nan 0.000 0.449 794 L N 5.047 126.266 121.223 -0.006 0.000 2.652 794 L HA 0.309 4.648 4.340 -0.000 0.000 0.284 794 L C 0.588 177.408 176.870 -0.082 0.000 1.204 794 L CA 1.072 55.932 54.840 0.035 0.000 1.105 794 L CB -1.003 41.112 42.059 0.095 0.000 1.393 794 L HN 0.764 nan 8.230 nan 0.000 0.452 795 T N -1.851 112.562 114.554 -0.234 0.000 2.982 795 T HA 0.334 4.684 4.350 -0.000 0.000 0.321 795 T C -0.024 174.398 174.700 -0.464 0.000 1.229 795 T CA -0.830 60.984 62.100 -0.477 0.000 1.044 795 T CB 1.250 69.504 68.868 -1.023 0.000 1.184 795 T HN 0.126 nan 8.240 nan 0.000 0.477 796 T N 2.723 117.126 114.554 -0.251 0.000 2.863 796 T HA 0.195 4.545 4.350 -0.000 0.000 0.299 796 T C -0.344 174.376 174.700 0.033 0.000 0.973 796 T CA -0.364 61.694 62.100 -0.070 0.000 0.994 796 T CB -0.481 68.395 68.868 0.013 0.000 0.961 796 T HN 0.539 nan 8.240 nan 0.000 0.552 797 W N 3.181 124.619 121.300 0.229 0.000 2.659 797 W HA 0.168 4.828 4.660 -0.000 0.000 0.342 797 W C 0.931 177.528 176.519 0.130 0.000 1.287 797 W CA -0.849 56.631 57.345 0.224 0.000 1.460 797 W CB 0.140 29.800 29.460 0.334 0.000 1.503 797 W HN 0.593 nan 8.180 nan 0.000 0.483 798 E N 5.485 125.895 120.200 0.349 0.000 2.070 798 E HA 0.087 4.437 4.350 -0.000 0.000 0.282 798 E C -0.434 176.242 176.600 0.127 0.000 1.104 798 E CA -0.417 56.098 56.400 0.192 0.000 0.876 798 E CB 0.382 30.153 29.700 0.118 0.000 1.055 798 E HN 0.541 nan 8.360 nan 0.000 0.401 799 I N 6.239 126.847 120.570 0.063 0.000 2.313 799 I HA 0.085 4.254 4.170 -0.000 0.000 0.286 799 I C 0.186 176.278 176.117 -0.041 0.000 1.091 799 I CA -0.613 60.655 61.300 -0.054 0.000 1.216 799 I CB 0.163 38.079 38.000 -0.140 0.000 1.434 799 I HN 0.601 nan 8.210 nan 0.000 0.487 800 Q N 5.918 125.703 119.800 -0.025 0.000 2.396 800 Q HA 0.581 4.921 4.340 -0.000 0.000 0.221 800 Q C -0.419 175.557 176.000 -0.040 0.000 1.025 800 Q CA -0.619 55.166 55.803 -0.031 0.000 0.946 800 Q CB 1.627 30.357 28.738 -0.014 0.000 1.224 800 Q HN 0.753 nan 8.270 nan 0.000 0.539 801 G N 1.544 110.308 108.800 -0.059 0.000 2.532 801 G HA2 0.331 4.291 3.960 -0.000 0.000 0.300 801 G HA3 0.331 4.291 3.960 -0.000 0.000 0.300 801 G C -0.947 173.891 174.900 -0.104 0.000 1.911 801 G CA -0.610 44.449 45.100 -0.069 0.000 0.948 801 G HN 0.737 nan 8.290 nan 0.000 0.453 802 I N 1.591 122.082 120.570 -0.133 0.000 2.882 802 I HA 0.810 4.980 4.170 -0.000 0.000 0.286 802 I C 0.470 176.467 176.117 -0.200 0.000 1.139 802 I CA 0.107 61.259 61.300 -0.247 0.000 1.379 802 I CB 1.397 39.109 38.000 -0.480 0.000 1.410 802 I HN 0.431 nan 8.210 nan 0.000 0.594 803 G N 6.811 115.491 108.800 -0.201 0.000 2.620 803 G HA2 0.683 4.643 3.960 -0.000 0.000 0.301 803 G HA3 0.683 4.643 3.960 -0.000 0.000 0.301 803 G C -1.193 173.654 174.900 -0.088 0.000 1.347 803 G CA -0.784 44.258 45.100 -0.096 0.000 0.971 803 G HN 1.004 nan 8.290 nan 0.000 0.488 804 I N -1.321 119.272 120.570 0.038 0.000 2.619 804 I HA 0.863 5.033 4.170 -0.000 0.000 0.292 804 I C -0.714 175.516 176.117 0.189 0.000 1.100 804 I CA -0.741 60.606 61.300 0.080 0.000 1.043 804 I CB 2.088 40.140 38.000 0.086 0.000 1.239 804 I HN 0.427 nan 8.210 nan 0.000 0.420 805 S N 3.030 118.808 115.700 0.129 0.000 2.843 805 S HA 0.344 4.814 4.470 -0.000 0.000 0.301 805 S C 0.296 174.956 174.600 0.101 0.000 1.206 805 S CA -0.702 57.575 58.200 0.129 0.000 0.875 805 S CB 1.694 64.918 63.200 0.040 0.000 1.248 805 S HN 0.832 nan 8.310 nan 0.000 0.555 806 N N 0.969 119.716 118.700 0.079 0.000 2.609 806 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 806 N C 1.385 176.932 175.510 0.063 0.000 1.157 806 N CA 1.198 54.292 53.050 0.074 0.000 0.918 806 N CB 0.035 38.559 38.487 0.062 0.000 0.978 806 N HN 0.609 nan 8.380 nan 0.000 0.448 807 T N -3.781 110.805 114.554 0.055 0.000 3.031 807 T HA 0.438 4.787 4.350 -0.000 0.000 0.254 807 T C 1.085 175.821 174.700 0.059 0.000 1.060 807 T CA 0.351 62.482 62.100 0.052 0.000 1.135 807 T CB 0.452 69.344 68.868 0.039 0.000 0.896 807 T HN 0.237 nan 8.240 nan 0.000 0.472 808 G N 1.060 109.895 108.800 0.057 0.000 2.278 808 G HA2 0.184 4.144 3.960 -0.000 0.000 0.265 808 G HA3 0.184 4.144 3.960 -0.000 0.000 0.265 808 G C -1.657 173.249 174.900 0.010 0.000 1.329 808 G CA -0.496 44.634 45.100 0.051 0.000 1.017 808 G HN 0.660 nan 8.290 nan 0.000 0.472 809 I N -0.055 120.490 120.570 -0.042 0.000 2.331 809 I HA 0.647 4.816 4.170 -0.000 0.000 0.292 809 I C -0.384 175.600 176.117 -0.222 0.000 0.998 809 I CA -0.829 60.392 61.300 -0.131 0.000 1.267 809 I CB 1.053 38.966 38.000 -0.145 0.000 1.386 809 I HN 0.801 nan 8.210 nan 0.000 0.476 810 c N 8.510 126.986 118.600 -0.207 0.000 2.801 810 c HA 0.443 5.013 4.570 -0.000 0.000 0.296 810 c C -0.271 173.699 174.090 -0.199 0.000 1.054 810 c CA -0.450 55.765 56.329 -0.190 0.000 1.442 810 c CB -0.291 42.158 42.510 -0.101 0.000 1.860 810 c HN 0.634 nan 8.230 nan 0.000 0.459 811 V N 5.374 125.141 119.914 -0.245 0.000 2.673 811 V HA 0.390 4.510 4.120 -0.000 0.000 0.303 811 V C 1.124 177.132 176.094 -0.142 0.000 1.046 811 V CA 0.802 62.972 62.300 -0.217 0.000 1.126 811 V CB 0.539 32.223 31.823 -0.232 0.000 0.934 811 V HN 1.003 nan 8.190 nan 0.000 0.487 812 A N 4.051 126.795 122.820 -0.127 0.000 2.269 812 A HA 0.478 4.797 4.320 -0.000 0.000 0.319 812 A C -0.029 177.505 177.584 -0.084 0.000 1.110 812 A CA -0.819 51.159 52.037 -0.098 0.000 0.847 812 A CB 0.349 19.284 19.000 -0.108 0.000 1.161 812 A HN 0.831 nan 8.150 nan 0.000 0.497 813 D N 1.695 122.057 120.400 -0.063 0.000 2.450 813 D HA 0.163 4.803 4.640 -0.000 0.000 0.247 813 D C 0.922 177.193 176.300 -0.049 0.000 1.162 813 D CA 0.685 54.659 54.000 -0.043 0.000 0.879 813 D CB 0.771 41.563 40.800 -0.014 0.000 1.163 813 D HN 0.612 nan 8.370 nan 0.000 0.472 814 T N 0.548 115.075 114.554 -0.045 0.000 2.595 814 T HA 0.038 4.388 4.350 -0.000 0.000 0.339 814 T C -0.002 174.695 174.700 -0.005 0.000 1.059 814 T CA -0.108 61.969 62.100 -0.038 0.000 1.035 814 T CB 0.467 69.308 68.868 -0.044 0.000 1.003 814 T HN 0.113 nan 8.240 nan 0.000 0.540 815 V N 3.097 123.022 119.914 0.019 0.000 2.675 815 V HA 0.291 4.411 4.120 -0.000 0.000 0.266 815 V C -0.427 175.732 176.094 0.109 0.000 0.974 815 V CA -0.996 61.345 62.300 0.068 0.000 0.890 815 V CB 1.324 33.192 31.823 0.076 0.000 1.055 815 V HN 0.885 nan 8.190 nan 0.000 0.477 816 K N 2.481 122.950 120.400 0.115 0.000 2.469 816 K HA 0.527 4.846 4.320 -0.000 0.000 0.274 816 K C 0.489 177.228 176.600 0.232 0.000 0.983 816 K CA 0.818 57.199 56.287 0.157 0.000 0.974 816 K CB 0.634 33.206 32.500 0.119 0.000 0.913 816 K HN 0.830 nan 8.250 nan 0.000 0.493 817 A N 2.920 125.923 122.820 0.304 0.000 3.474 817 A HA 0.129 4.448 4.320 -0.000 0.000 0.251 817 A C -0.707 177.143 177.584 0.445 0.000 1.062 817 A CA -0.831 51.456 52.037 0.417 0.000 0.945 817 A CB -0.325 18.878 19.000 0.338 0.000 1.296 817 A HN 0.686 nan 8.150 nan 0.000 0.592 818 K N 0.692 121.284 120.400 0.320 0.000 2.472 818 K HA 0.339 4.658 4.320 -0.000 0.000 0.280 818 K C 0.043 176.844 176.600 0.334 0.000 1.028 818 K CA 0.130 56.551 56.287 0.224 0.000 1.045 818 K CB 0.460 33.036 32.500 0.126 0.000 0.902 818 K HN 0.552 nan 8.250 nan 0.000 0.478 819 V N 1.171 121.253 119.914 0.280 0.000 2.975 819 V HA 0.857 4.977 4.120 -0.000 0.000 0.318 819 V C -0.604 175.692 176.094 0.336 0.000 1.077 819 V CA -0.956 61.543 62.300 0.332 0.000 1.000 819 V CB 0.794 32.809 31.823 0.319 0.000 1.066 819 V HN 0.989 nan 8.190 nan 0.000 0.452 820 F N 0.791 120.807 119.950 0.110 0.000 2.689 820 F HA 0.511 5.037 4.527 -0.001 0.000 0.314 820 F C -1.171 174.686 175.800 0.094 0.000 1.061 820 F CA -0.791 57.252 58.000 0.072 0.000 1.013 820 F CB 1.101 40.154 39.000 0.089 0.000 1.256 820 F HN 0.796 nan 8.300 nan 0.000 0.480 821 K N 4.181 123.991 120.400 -0.984 0.000 2.156 821 K HA 0.387 4.706 4.320 -0.000 0.000 0.271 821 K C 0.123 176.022 176.600 -1.170 0.000 0.995 821 K CA -0.206 55.603 56.287 -0.797 0.000 0.890 821 K CB 1.373 33.645 32.500 -0.380 0.000 1.073 821 K HN 0.645 nan 8.250 nan 0.000 0.454 822 D N 1.476 121.583 120.400 -0.488 0.000 2.077 822 D HA -0.081 4.559 4.640 -0.000 0.000 0.193 822 D C -0.127 176.307 176.300 0.223 0.000 0.989 822 D CA 1.266 55.248 54.000 -0.029 0.000 0.831 822 D CB 0.211 41.139 40.800 0.214 0.000 0.979 822 D HN 0.206 nan 8.370 nan 0.000 0.449 823 V N 0.279 120.290 119.914 0.162 0.000 2.656 823 V HA 0.514 4.633 4.120 -0.000 0.000 0.307 823 V C -0.823 175.377 176.094 0.178 0.000 1.051 823 V CA -0.900 61.482 62.300 0.137 0.000 0.893 823 V CB 1.809 33.657 31.823 0.041 0.000 0.999 823 V HN 0.158 nan 8.190 nan 0.000 0.426 824 F N 3.998 123.902 119.950 -0.078 0.000 2.641 824 F HA 0.841 5.368 4.527 -0.000 0.000 0.308 824 F C -1.539 174.172 175.800 -0.149 0.000 1.105 824 F CA -1.231 56.719 58.000 -0.082 0.000 0.964 824 F CB 1.546 40.526 39.000 -0.033 0.000 1.294 824 F HN 0.449 nan 8.300 nan 0.000 0.442 825 L N 3.020 124.142 121.223 -0.169 0.000 2.331 825 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 825 L C -0.772 175.994 176.870 -0.174 0.000 1.022 825 L CA -0.173 54.459 54.840 -0.346 0.000 0.812 825 L CB 1.810 43.690 42.059 -0.298 0.000 1.257 825 L HN 0.871 nan 8.230 nan 0.000 0.435 826 E N 4.545 124.568 120.200 -0.295 0.000 2.238 826 E HA 0.565 4.915 4.350 -0.000 0.000 0.267 826 E C -1.529 174.937 176.600 -0.224 0.000 0.887 826 E CA -0.965 55.352 56.400 -0.138 0.000 0.769 826 E CB 1.866 31.547 29.700 -0.031 0.000 1.187 826 E HN 0.440 nan 8.360 nan 0.000 0.416 827 M N 2.544 122.037 119.600 -0.178 0.000 2.311 827 M HA 0.303 4.783 4.480 -0.000 0.000 0.325 827 M C -0.842 175.411 176.300 -0.078 0.000 1.061 827 M CA -0.879 54.281 55.300 -0.233 0.000 0.957 827 M CB 1.191 33.545 32.600 -0.411 0.000 1.646 827 M HN 0.589 nan 8.290 nan 0.000 0.434 828 N N 3.432 122.108 118.700 -0.040 0.000 2.521 828 N HA 0.299 5.039 4.740 -0.000 0.000 0.236 828 N C -0.902 174.677 175.510 0.116 0.000 1.067 828 N CA -0.167 52.905 53.050 0.037 0.000 0.939 828 N CB 0.306 38.814 38.487 0.034 0.000 1.201 828 N HN 0.438 nan 8.380 nan 0.000 0.511 829 I N 3.129 123.773 120.570 0.123 0.000 2.581 829 I HA 0.367 4.536 4.170 -0.000 0.000 0.288 829 I C -1.624 174.613 176.117 0.200 0.000 1.047 829 I CA -2.047 59.354 61.300 0.169 0.000 1.374 829 I CB 0.321 38.408 38.000 0.145 0.000 1.423 829 I HN 0.361 nan 8.210 nan 0.000 0.549 830 P HA 0.226 nan 4.420 nan 0.000 0.279 830 P C 0.618 178.073 177.300 0.257 0.000 1.276 830 P CA -0.316 62.953 63.100 0.282 0.000 0.801 830 P CB 1.045 32.985 31.700 0.399 0.000 1.127 831 Y N 0.660 121.025 120.300 0.108 0.000 2.062 831 Y HA -0.160 4.390 4.550 -0.001 0.000 0.272 831 Y C 0.848 176.808 175.900 0.100 0.000 1.117 831 Y CA 1.618 59.773 58.100 0.093 0.000 1.095 831 Y CB 0.011 38.521 38.460 0.083 0.000 0.985 831 Y HN 0.467 nan 8.280 nan 0.000 0.479 832 S N -0.490 115.250 115.700 0.066 0.000 2.595 832 S HA 0.688 5.157 4.470 -0.000 0.000 0.281 832 S C -1.391 173.235 174.600 0.043 0.000 1.117 832 S CA -0.753 57.393 58.200 -0.091 0.000 0.873 832 S CB 2.268 65.313 63.200 -0.258 0.000 1.108 832 S HN 0.105 nan 8.310 nan 0.000 0.477 833 V N 0.909 120.826 119.914 0.005 0.000 2.789 833 V HA 0.570 4.690 4.120 -0.000 0.000 0.311 833 V C -0.070 176.028 176.094 0.007 0.000 1.073 833 V CA -0.958 61.359 62.300 0.029 0.000 0.921 833 V CB 1.564 33.391 31.823 0.008 0.000 1.009 833 V HN 0.861 nan 8.190 nan 0.000 0.426 834 V N 3.022 122.952 119.914 0.027 0.000 2.924 834 V HA 0.259 4.378 4.120 -0.000 0.000 0.305 834 V C 0.862 176.949 176.094 -0.012 0.000 1.073 834 V CA -0.350 61.960 62.300 0.017 0.000 1.098 834 V CB 1.114 32.959 31.823 0.035 0.000 1.000 834 V HN 1.000 nan 8.190 nan 0.000 0.484 835 R N 2.995 123.476 120.500 -0.030 0.000 2.484 835 R HA 0.331 4.671 4.340 -0.000 0.000 0.293 835 R C 0.950 177.209 176.300 -0.068 0.000 1.023 835 R CA 0.876 56.943 56.100 -0.055 0.000 1.037 835 R CB -0.176 30.085 30.300 -0.066 0.000 0.951 835 R HN 1.174 nan 8.270 nan 0.000 0.418 836 G N 2.492 111.240 108.800 -0.086 0.000 2.160 836 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.251 836 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.251 836 G C -0.190 174.644 174.900 -0.111 0.000 1.008 836 G CA 0.432 45.441 45.100 -0.152 0.000 0.724 836 G HN 0.696 nan 8.290 nan 0.000 0.514 837 E N -0.045 120.163 120.200 0.012 0.000 2.197 837 E HA 0.400 4.750 4.350 -0.000 0.000 0.281 837 E C 0.332 177.019 176.600 0.144 0.000 0.995 837 E CA -0.558 55.918 56.400 0.126 0.000 0.808 837 E CB 0.616 30.357 29.700 0.068 0.000 1.093 837 E HN 0.340 nan 8.360 nan 0.000 0.394 838 Q N 4.599 124.553 119.800 0.256 0.000 2.349 838 Q HA 0.250 4.590 4.340 -0.000 0.000 0.254 838 Q C -1.142 174.851 176.000 -0.011 0.000 0.980 838 Q CA -0.498 55.392 55.803 0.146 0.000 0.924 838 Q CB 0.618 29.480 28.738 0.207 0.000 1.209 838 Q HN 0.459 nan 8.270 nan 0.000 0.445 839 I N 2.864 123.392 120.570 -0.069 0.000 2.437 839 I HA 0.164 4.334 4.170 -0.000 0.000 0.298 839 I C -0.663 175.304 176.117 -0.251 0.000 0.984 839 I CA -0.213 60.951 61.300 -0.227 0.000 1.214 839 I CB 1.821 39.686 38.000 -0.225 0.000 1.365 839 I HN 0.599 nan 8.210 nan 0.000 0.469 840 Q N 7.208 126.744 119.800 -0.440 0.000 2.398 840 Q HA 0.363 4.703 4.340 -0.000 0.000 0.251 840 Q C -1.393 174.470 176.000 -0.228 0.000 0.999 840 Q CA -0.524 55.124 55.803 -0.258 0.000 0.874 840 Q CB 1.032 29.677 28.738 -0.154 0.000 1.215 840 Q HN 0.624 nan 8.270 nan 0.000 0.470 841 L N 4.960 126.168 121.223 -0.024 0.000 2.328 841 L HA 0.283 4.623 4.340 -0.000 0.000 0.280 841 L C 0.262 177.206 176.870 0.123 0.000 1.111 841 L CA -0.024 54.861 54.840 0.076 0.000 0.909 841 L CB 0.414 42.556 42.059 0.139 0.000 1.277 841 L HN 0.384 nan 8.230 nan 0.000 0.433 842 K N 1.766 122.232 120.400 0.110 0.000 2.488 842 K HA 0.814 5.134 4.320 -0.000 0.000 0.255 842 K C 0.259 176.834 176.600 -0.042 0.000 1.036 842 K CA -0.536 55.776 56.287 0.042 0.000 0.990 842 K CB 1.036 33.560 32.500 0.039 0.000 1.304 842 K HN 0.570 nan 8.250 nan 0.000 0.505 843 G N -0.403 108.337 108.800 -0.100 0.000 2.340 843 G HA2 0.275 4.234 3.960 -0.000 0.000 0.300 843 G HA3 0.275 4.234 3.960 -0.000 0.000 0.300 843 G C -1.461 173.294 174.900 -0.241 0.000 1.488 843 G CA -0.672 44.316 45.100 -0.186 0.000 0.878 843 G HN 0.584 nan 8.290 nan 0.000 0.618 844 T N -2.282 112.057 114.554 -0.359 0.000 2.893 844 T HA 0.735 5.085 4.350 -0.000 0.000 0.293 844 T C -1.052 173.133 174.700 -0.858 0.000 1.027 844 T CA -0.620 61.194 62.100 -0.478 0.000 0.988 844 T CB 1.932 70.647 68.868 -0.255 0.000 1.043 844 T HN 1.812 nan 8.240 nan 0.000 0.461 845 V N 4.866 124.305 119.914 -0.793 0.000 2.370 845 V HA 0.524 4.644 4.120 -0.000 0.000 0.283 845 V C -1.450 174.198 176.094 -0.744 0.000 1.023 845 V CA -0.970 60.809 62.300 -0.869 0.000 0.857 845 V CB 0.560 31.821 31.823 -0.937 0.000 0.985 845 V HN 0.965 nan 8.190 nan 0.000 0.443 846 Y N 5.954 125.835 120.300 -0.699 0.000 2.383 846 Y HA 0.410 4.960 4.550 -0.000 0.000 0.344 846 Y C 0.732 176.347 175.900 -0.475 0.000 0.986 846 Y CA -0.428 57.209 58.100 -0.771 0.000 1.175 846 Y CB 1.044 38.631 38.460 -1.456 0.000 1.152 846 Y HN 0.598 nan 8.280 nan 0.000 0.511 847 N N 2.910 121.583 118.700 -0.045 0.000 2.419 847 N HA 0.125 4.865 4.740 -0.000 0.000 0.277 847 N C -0.758 174.968 175.510 0.361 0.000 1.006 847 N CA -0.127 53.002 53.050 0.132 0.000 0.923 847 N CB 0.719 39.305 38.487 0.165 0.000 1.140 847 N HN 0.600 nan 8.380 nan 0.000 0.488 848 Y N 1.076 121.550 120.300 0.291 0.000 2.540 848 Y HA 0.247 4.797 4.550 -0.001 0.000 0.257 848 Y C 0.643 176.714 175.900 0.285 0.000 1.090 848 Y CA -0.455 57.837 58.100 0.319 0.000 1.242 848 Y CB 0.066 38.903 38.460 0.628 0.000 1.325 848 Y HN 0.450 nan 8.280 nan 0.000 0.544 849 R N 1.376 122.130 120.500 0.423 0.000 2.679 849 R HA 0.041 4.381 4.340 -0.000 0.000 0.268 849 R C 1.474 177.903 176.300 0.214 0.000 1.044 849 R CA 1.208 57.489 56.100 0.302 0.000 1.105 849 R CB 0.528 31.007 30.300 0.298 0.000 0.989 849 R HN 0.303 nan 8.270 nan 0.000 0.447 850 T N -0.556 114.088 114.554 0.151 0.000 2.833 850 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 850 T C 0.896 175.651 174.700 0.090 0.000 1.054 850 T CA 1.058 63.217 62.100 0.098 0.000 1.135 850 T CB -0.398 68.508 68.868 0.063 0.000 0.869 850 T HN 0.601 nan 8.240 nan 0.000 0.466 851 S N 0.514 116.274 115.700 0.100 0.000 2.730 851 S HA 0.705 5.174 4.470 -0.000 0.000 0.284 851 S C 0.667 175.335 174.600 0.113 0.000 1.153 851 S CA -0.658 57.594 58.200 0.086 0.000 0.995 851 S CB 1.136 64.376 63.200 0.066 0.000 1.058 851 S HN 0.571 nan 8.310 nan 0.000 0.552 852 G N -0.214 108.642 108.800 0.092 0.000 2.563 852 G HA2 0.625 4.585 3.960 -0.000 0.000 0.283 852 G HA3 0.625 4.585 3.960 -0.000 0.000 0.283 852 G C -0.357 174.612 174.900 0.115 0.000 1.309 852 G CA -0.665 44.500 45.100 0.108 0.000 1.022 852 G HN 1.138 nan 8.290 nan 0.000 0.501 853 M N -2.295 117.383 119.600 0.131 0.000 3.084 853 M HA 0.451 4.930 4.480 -0.000 0.000 0.273 853 M C -1.904 174.477 176.300 0.135 0.000 1.242 853 M CA -0.949 54.426 55.300 0.124 0.000 0.819 853 M CB 1.615 34.309 32.600 0.157 0.000 1.625 853 M HN 0.393 nan 8.290 nan 0.000 0.493 854 Q N 1.535 121.402 119.800 0.111 0.000 2.271 854 Q HA 0.652 4.992 4.340 -0.000 0.000 0.258 854 Q C -1.313 174.778 176.000 0.151 0.000 0.936 854 Q CA -0.611 55.232 55.803 0.067 0.000 0.909 854 Q CB 1.797 30.564 28.738 0.048 0.000 1.253 854 Q HN 0.573 nan 8.270 nan 0.000 0.440 855 F N -1.051 118.933 119.950 0.058 0.000 2.780 855 F HA 0.817 5.344 4.527 -0.000 0.000 0.394 855 F C -0.325 175.501 175.800 0.043 0.000 1.244 855 F CA -1.454 56.567 58.000 0.035 0.000 1.133 855 F CB 1.078 40.082 39.000 0.007 0.000 1.528 855 F HN 0.524 nan 8.300 nan 0.000 0.496 856 c N 2.485 121.286 118.600 0.336 0.000 2.706 856 c HA 0.465 5.034 4.570 -0.000 0.000 0.393 856 c C -0.977 173.262 174.090 0.248 0.000 0.830 856 c CA -0.522 55.912 56.329 0.175 0.000 1.151 856 c CB -1.055 41.503 42.510 0.080 0.000 1.416 856 c HN 0.983 nan 8.230 nan 0.000 0.589 857 V N 3.150 123.264 119.914 0.333 0.000 2.498 857 V HA 0.714 4.834 4.120 -0.000 0.000 0.279 857 V C -0.118 176.192 176.094 0.359 0.000 1.048 857 V CA 0.099 62.574 62.300 0.293 0.000 0.967 857 V CB 1.142 33.124 31.823 0.264 0.000 0.988 857 V HN 0.867 nan 8.190 nan 0.000 0.473 858 K N 5.233 125.832 120.400 0.331 0.000 2.427 858 K HA 0.737 5.056 4.320 -0.000 0.000 0.252 858 K C -0.791 175.958 176.600 0.248 0.000 0.931 858 K CA -0.896 55.592 56.287 0.335 0.000 0.793 858 K CB 2.541 35.152 32.500 0.185 0.000 1.211 858 K HN 0.868 nan 8.250 nan 0.000 0.426 859 M N 1.811 121.519 119.600 0.179 0.000 2.363 859 M HA 0.259 4.739 4.480 -0.000 0.000 0.343 859 M C -0.750 175.433 176.300 -0.195 0.000 1.165 859 M CA -0.253 54.913 55.300 -0.225 0.000 1.046 859 M CB 2.002 34.271 32.600 -0.551 0.000 1.648 859 M HN 0.786 nan 8.290 nan 0.000 0.452 860 S N 3.720 119.222 115.700 -0.331 0.000 2.439 860 S HA 0.560 5.029 4.470 -0.000 0.000 0.282 860 S C 0.092 174.585 174.600 -0.177 0.000 1.170 860 S CA -0.561 57.517 58.200 -0.204 0.000 1.054 860 S CB 0.368 63.447 63.200 -0.201 0.000 0.956 860 S HN 0.893 nan 8.310 nan 0.000 0.490 861 A N 5.691 128.451 122.820 -0.099 0.000 2.500 861 A HA 0.409 4.729 4.320 -0.000 0.000 0.285 861 A C 0.139 177.678 177.584 -0.074 0.000 1.183 861 A CA -0.310 51.683 52.037 -0.073 0.000 0.851 861 A CB -0.619 18.360 19.000 -0.036 0.000 1.091 861 A HN 0.835 nan 8.150 nan 0.000 0.521 862 V N 3.580 123.442 119.914 -0.086 0.000 2.481 862 V HA 0.120 4.239 4.120 -0.000 0.000 0.286 862 V C 1.565 177.630 176.094 -0.049 0.000 1.042 862 V CA -0.563 61.695 62.300 -0.069 0.000 0.928 862 V CB 1.329 33.106 31.823 -0.078 0.000 0.986 862 V HN 1.047 nan 8.190 nan 0.000 0.462 863 E N 3.889 124.067 120.200 -0.037 0.000 2.196 863 E HA -0.294 4.056 4.350 -0.000 0.000 0.222 863 E C 1.884 178.465 176.600 -0.031 0.000 1.072 863 E CA 2.268 58.650 56.400 -0.030 0.000 0.902 863 E CB -0.154 29.532 29.700 -0.023 0.000 0.780 863 E HN 0.962 nan 8.360 nan 0.000 0.467 864 G N -0.145 108.635 108.800 -0.033 0.000 3.233 864 G HA2 0.244 4.204 3.960 -0.000 0.000 0.227 864 G HA3 0.244 4.204 3.960 -0.000 0.000 0.227 864 G C 0.618 175.494 174.900 -0.041 0.000 1.175 864 G CA -0.256 44.822 45.100 -0.036 0.000 0.781 864 G HN 0.065 nan 8.290 nan 0.000 0.542 865 I N 0.574 121.120 120.570 -0.040 0.000 2.418 865 I HA 0.263 4.432 4.170 -0.000 0.000 0.287 865 I C -0.043 176.059 176.117 -0.026 0.000 1.008 865 I CA -1.019 60.259 61.300 -0.038 0.000 1.104 865 I CB 1.718 39.689 38.000 -0.048 0.000 1.264 865 I HN -0.194 nan 8.210 nan 0.000 0.438 866 c N 4.372 122.962 118.600 -0.016 0.000 2.656 866 c HA 0.637 5.206 4.570 -0.000 0.000 0.391 866 c C 0.795 174.893 174.090 0.014 0.000 1.300 866 c CA 0.448 56.776 56.329 -0.001 0.000 2.302 866 c CB 0.367 42.880 42.510 0.006 0.000 2.655 866 c HN 0.955 nan 8.230 nan 0.000 0.656 867 T N -0.377 114.192 114.554 0.024 0.000 2.686 867 T HA 0.174 4.524 4.350 -0.000 0.000 0.308 867 T C 0.190 174.915 174.700 0.043 0.000 1.667 867 T CA -0.602 61.525 62.100 0.044 0.000 0.987 867 T CB 0.892 69.789 68.868 0.049 0.000 1.652 867 T HN 0.408 nan 8.240 nan 0.000 0.496 868 S N -0.201 115.533 115.700 0.056 0.000 2.496 868 S HA 0.064 4.534 4.470 -0.000 0.000 0.224 868 S C 0.723 175.345 174.600 0.037 0.000 0.996 868 S CA 0.288 58.513 58.200 0.042 0.000 0.927 868 S CB -0.085 63.140 63.200 0.040 0.000 0.774 868 S HN 0.627 nan 8.310 nan 0.000 0.524 869 E N 2.798 123.025 120.200 0.044 0.000 2.349 869 E HA 0.202 4.552 4.350 -0.000 0.000 0.265 869 E C 0.309 176.922 176.600 0.022 0.000 1.064 869 E CA -0.124 56.296 56.400 0.035 0.000 0.886 869 E CB 1.096 30.822 29.700 0.044 0.000 1.036 869 E HN 0.327 nan 8.360 nan 0.000 0.413 883 c N 3.962 122.589 118.600 0.046 0.000 2.615 883 c HA 0.268 4.838 4.570 -0.000 0.000 0.503 883 c C 0.629 174.732 174.090 0.021 0.000 1.039 883 c CA -0.327 56.027 56.329 0.043 0.000 1.226 883 c CB -1.724 40.805 42.510 0.032 0.000 1.447 883 c HN 0.434 nan 8.230 nan 0.000 0.572 884 V N 4.965 124.890 119.914 0.019 0.000 2.302 884 V HA 0.280 4.400 4.120 -0.000 0.000 0.244 884 V C 0.674 176.736 176.094 -0.053 0.000 1.160 884 V CA -0.321 61.970 62.300 -0.016 0.000 1.127 884 V CB -0.731 31.076 31.823 -0.027 0.000 1.253 884 V HN 0.814 nan 8.190 nan 0.000 0.496 885 R N 2.827 123.283 120.500 -0.072 0.000 2.267 885 R HA 0.623 4.962 4.340 -0.000 0.000 0.319 885 R C -0.218 175.930 176.300 -0.253 0.000 1.067 885 R CA -0.491 55.522 56.100 -0.145 0.000 0.936 885 R CB 0.963 31.222 30.300 -0.069 0.000 1.006 885 R HN 0.681 nan 8.270 nan 0.000 0.452 886 Q N 2.408 121.875 119.800 -0.556 0.000 2.527 886 Q HA 0.426 4.765 4.340 -0.000 0.000 0.220 886 Q C -1.254 174.397 176.000 -0.581 0.000 1.014 886 Q CA -0.715 54.732 55.803 -0.594 0.000 0.978 886 Q CB 1.483 29.782 28.738 -0.732 0.000 1.245 886 Q HN 0.587 nan 8.270 nan 0.000 0.513 887 K N 0.022 120.222 120.400 -0.333 0.000 2.507 887 K HA 0.439 4.759 4.320 -0.000 0.000 0.252 887 K C -1.595 175.072 176.600 0.111 0.000 0.943 887 K CA -0.640 55.586 56.287 -0.101 0.000 0.808 887 K CB 1.836 34.297 32.500 -0.065 0.000 1.142 887 K HN 0.360 nan 8.250 nan 0.000 0.426 888 V N 0.581 120.675 119.914 0.299 0.000 2.364 888 V HA 0.315 4.435 4.120 -0.000 0.000 0.272 888 V C 0.431 176.637 176.094 0.187 0.000 1.036 888 V CA -0.996 61.507 62.300 0.338 0.000 0.880 888 V CB 0.596 32.642 31.823 0.372 0.000 0.991 888 V HN 0.788 nan 8.190 nan 0.000 0.460 889 E N 3.647 123.930 120.200 0.137 0.000 2.442 889 E HA 0.132 4.482 4.350 -0.000 0.000 0.262 889 E C 0.583 177.256 176.600 0.122 0.000 1.004 889 E CA 0.181 56.642 56.400 0.101 0.000 0.928 889 E CB 0.795 30.539 29.700 0.072 0.000 0.937 889 E HN 0.893 nan 8.360 nan 0.000 0.446 890 G N 1.680 110.545 108.800 0.107 0.000 2.414 890 G HA2 0.101 4.061 3.960 -0.000 0.000 0.236 890 G HA3 0.101 4.061 3.960 -0.000 0.000 0.236 890 G C 0.190 175.172 174.900 0.137 0.000 1.293 890 G CA 0.089 45.264 45.100 0.125 0.000 0.869 890 G HN 0.699 nan 8.290 nan 0.000 0.556 891 S N -0.199 115.614 115.700 0.189 0.000 3.641 891 S HA -0.181 4.289 4.470 -0.000 0.000 0.346 891 S C 0.872 175.605 174.600 0.221 0.000 1.074 891 S CA 1.074 59.403 58.200 0.215 0.000 1.026 891 S CB -1.666 61.595 63.200 0.102 0.000 0.908 891 S HN 0.953 nan 8.310 nan 0.000 0.479 892 S N -0.705 115.135 115.700 0.234 0.000 3.359 892 S HA 0.874 5.344 4.470 -0.000 0.000 0.323 892 S C -0.442 174.290 174.600 0.220 0.000 1.143 892 S CA -0.166 58.156 58.200 0.203 0.000 0.989 892 S CB 2.091 65.380 63.200 0.149 0.000 1.375 892 S HN 0.536 nan 8.310 nan 0.000 0.728 893 S N 0.345 116.169 115.700 0.206 0.000 2.548 893 S HA 0.449 4.919 4.470 -0.000 0.000 0.278 893 S C -2.320 172.390 174.600 0.183 0.000 1.150 893 S CA -0.530 57.775 58.200 0.174 0.000 0.907 893 S CB 1.019 64.402 63.200 0.305 0.000 1.108 893 S HN 0.722 nan 8.310 nan 0.000 0.459 894 H N 4.397 123.456 119.070 -0.019 0.000 2.541 894 H HA 0.550 5.105 4.556 -0.000 0.000 0.316 894 H C -0.278 175.030 175.328 -0.035 0.000 1.043 894 H CA -0.525 55.557 56.048 0.057 0.000 1.232 894 H CB 0.372 30.306 29.762 0.286 0.000 1.406 894 H HN 0.668 nan 8.280 nan 0.000 0.469 895 L N 4.903 126.303 121.223 0.295 0.000 2.554 895 L HA 0.028 4.367 4.340 -0.000 0.000 0.293 895 L C -0.264 176.409 176.870 -0.328 0.000 1.252 895 L CA 0.646 55.484 54.840 -0.002 0.000 0.862 895 L CB 0.243 42.357 42.059 0.091 0.000 1.113 895 L HN 0.443 nan 8.230 nan 0.000 0.510 896 V N 1.342 121.084 119.914 -0.286 0.000 3.040 896 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 896 V C -0.128 175.859 176.094 -0.179 0.000 1.115 896 V CA -0.458 61.664 62.300 -0.298 0.000 0.998 896 V CB 2.093 33.764 31.823 -0.253 0.000 1.042 896 V HN 0.872 nan 8.190 nan 0.000 0.433 897 T N 0.216 114.619 114.554 -0.251 0.000 2.802 897 T HA 0.792 5.141 4.350 -0.000 0.000 0.311 897 T C -1.851 172.639 174.700 -0.350 0.000 1.405 897 T CA -0.418 61.611 62.100 -0.118 0.000 1.016 897 T CB 1.680 70.494 68.868 -0.091 0.000 1.352 897 T HN 0.409 nan 8.240 nan 0.000 0.498 898 F N 0.717 120.656 119.950 -0.019 0.000 2.619 898 F HA 0.587 5.114 4.527 -0.000 0.000 0.308 898 F C 0.327 176.126 175.800 -0.002 0.000 1.097 898 F CA -0.924 57.090 58.000 0.022 0.000 0.953 898 F CB 2.652 41.714 39.000 0.104 0.000 1.287 898 F HN 0.835 nan 8.300 nan 0.000 0.446 899 T N 0.280 114.929 114.554 0.159 0.000 2.824 899 T HA 0.857 5.207 4.350 -0.000 0.000 0.280 899 T C -0.582 174.173 174.700 0.092 0.000 0.995 899 T CA -0.575 61.570 62.100 0.075 0.000 1.009 899 T CB 1.397 70.278 68.868 0.021 0.000 0.955 899 T HN 0.647 nan 8.240 nan 0.000 0.452 900 V N 0.742 120.684 119.914 0.047 0.000 3.105 900 V HA 0.930 5.050 4.120 -0.000 0.000 0.311 900 V C -0.854 175.251 176.094 0.018 0.000 1.287 900 V CA -1.495 60.825 62.300 0.034 0.000 1.066 900 V CB 1.622 33.456 31.823 0.017 0.000 1.105 900 V HN 1.226 nan 8.190 nan 0.000 0.462 901 L N 0.552 121.780 121.223 0.010 0.000 2.969 901 L HA 0.606 4.946 4.340 -0.000 0.000 0.250 901 L C -3.242 173.616 176.870 -0.019 0.000 0.953 901 L CA -0.727 54.120 54.840 0.010 0.000 1.066 901 L CB 2.170 44.263 42.059 0.057 0.000 1.497 901 L HN 0.593 nan 8.230 nan 0.000 0.512 902 P HA 0.370 nan 4.420 nan 0.000 0.288 902 P C -0.176 177.087 177.300 -0.062 0.000 1.267 902 P CA -0.617 62.452 63.100 -0.051 0.000 0.815 902 P CB 1.325 32.988 31.700 -0.063 0.000 0.989 903 L N 0.166 121.350 121.223 -0.064 0.000 2.537 903 L HA 0.254 4.594 4.340 -0.000 0.000 0.224 903 L C 0.749 177.579 176.870 -0.068 0.000 1.065 903 L CA 0.930 55.727 54.840 -0.072 0.000 0.860 903 L CB -1.017 41.000 42.059 -0.070 0.000 1.086 903 L HN 0.381 nan 8.230 nan 0.000 0.482 904 E N 2.132 122.294 120.200 -0.063 0.000 2.223 904 E HA 0.287 4.637 4.350 -0.000 0.000 0.282 904 E C -0.062 176.489 176.600 -0.082 0.000 1.046 904 E CA -0.310 56.053 56.400 -0.062 0.000 0.857 904 E CB 1.675 31.347 29.700 -0.048 0.000 1.055 904 E HN 0.115 nan 8.360 nan 0.000 0.409 905 I N 1.402 121.922 120.570 -0.083 0.000 2.836 905 I HA -0.022 4.148 4.170 -0.000 0.000 0.285 905 I C 1.718 177.759 176.117 -0.126 0.000 1.174 905 I CA 0.562 61.800 61.300 -0.104 0.000 1.405 905 I CB 0.327 38.266 38.000 -0.102 0.000 1.385 905 I HN 0.889 nan 8.210 nan 0.000 0.594 906 G N 3.914 112.604 108.800 -0.183 0.000 2.623 906 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.241 906 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.241 906 G C 0.401 174.852 174.900 -0.748 0.000 1.114 906 G CA 0.541 45.467 45.100 -0.290 0.000 0.682 906 G HN 0.596 nan 8.290 nan 0.000 0.524 907 L N 2.154 123.168 121.223 -0.349 0.000 2.640 907 L HA 0.409 4.749 4.340 -0.000 0.000 0.300 907 L C 0.620 177.285 176.870 -0.341 0.000 1.259 907 L CA 0.817 55.556 54.840 -0.168 0.000 0.879 907 L CB 0.094 42.113 42.059 -0.067 0.000 1.125 907 L HN 0.578 nan 8.230 nan 0.000 0.507 908 H N 2.216 121.264 119.070 -0.038 0.000 3.448 908 H HA 0.486 5.042 4.556 -0.001 0.000 0.311 908 H C -0.284 175.011 175.328 -0.055 0.000 1.666 908 H CA -0.829 55.196 56.048 -0.039 0.000 1.221 908 H CB 0.142 29.887 29.762 -0.028 0.000 1.749 908 H HN 0.869 nan 8.280 nan 0.000 0.659 909 N N 0.261 119.021 118.700 0.101 0.000 4.111 909 N HA -0.177 4.563 4.740 -0.000 0.000 0.311 909 N C -1.581 173.874 175.510 -0.093 0.000 2.201 909 N CA 0.265 53.310 53.050 -0.008 0.000 2.853 909 N CB -0.225 38.251 38.487 -0.017 0.000 0.348 909 N HN 0.554 nan 8.380 nan 0.000 0.660 910 I N 2.514 122.979 120.570 -0.174 0.000 2.571 910 I HA 0.159 4.329 4.170 -0.000 0.000 0.286 910 I C -0.697 175.135 176.117 -0.476 0.000 1.134 910 I CA -0.720 60.358 61.300 -0.370 0.000 1.052 910 I CB 1.702 39.406 38.000 -0.493 0.000 1.237 910 I HN 0.466 nan 8.210 nan 0.000 0.435 911 N N 5.343 123.795 118.700 -0.414 0.000 2.530 911 N HA 0.527 5.266 4.740 -0.000 0.000 0.273 911 N C -1.300 173.903 175.510 -0.513 0.000 1.173 911 N CA 0.200 53.062 53.050 -0.315 0.000 0.967 911 N CB 0.770 39.155 38.487 -0.170 0.000 1.109 911 N HN 0.238 nan 8.380 nan 0.000 0.453 912 F N 0.046 119.936 119.950 -0.100 0.000 2.551 912 F HA 0.564 5.090 4.527 -0.001 0.000 0.316 912 F C 0.369 176.134 175.800 -0.058 0.000 1.089 912 F CA -0.748 57.178 58.000 -0.123 0.000 0.915 912 F CB 1.990 40.898 39.000 -0.153 0.000 1.186 912 F HN 0.273 nan 8.300 nan 0.000 0.456 913 S N 3.243 119.054 115.700 0.186 0.000 2.570 913 S HA 0.925 5.395 4.470 -0.000 0.000 0.286 913 S C -1.716 172.956 174.600 0.120 0.000 1.099 913 S CA -0.568 57.699 58.200 0.112 0.000 0.913 913 S CB 1.118 64.363 63.200 0.074 0.000 1.085 913 S HN 0.526 nan 8.310 nan 0.000 0.480 914 L N 0.979 122.250 121.223 0.081 0.000 2.376 914 L HA 0.899 5.239 4.340 -0.000 0.000 0.258 914 L C -1.112 175.803 176.870 0.075 0.000 1.013 914 L CA -0.866 54.031 54.840 0.094 0.000 0.822 914 L CB 0.810 42.901 42.059 0.053 0.000 1.388 914 L HN 0.550 nan 8.230 nan 0.000 0.413 915 E N -0.014 120.250 120.200 0.106 0.000 2.218 915 E HA 0.793 5.143 4.350 -0.000 0.000 0.263 915 E C -1.158 175.491 176.600 0.082 0.000 0.879 915 E CA -0.356 56.085 56.400 0.067 0.000 0.762 915 E CB 2.207 31.941 29.700 0.058 0.000 1.166 915 E HN 0.789 nan 8.360 nan 0.000 0.415 916 T N 2.001 116.565 114.554 0.017 0.000 2.900 916 T HA 0.095 4.444 4.350 -0.000 0.000 0.295 916 T C 0.109 174.828 174.700 0.032 0.000 1.044 916 T CA -0.755 61.349 62.100 0.008 0.000 0.995 916 T CB 0.931 69.693 68.868 -0.176 0.000 1.072 916 T HN 0.568 nan 8.240 nan 0.000 0.473 917 W N 2.263 123.530 121.300 -0.056 0.000 2.257 917 W HA -0.284 4.376 4.660 -0.001 0.000 0.325 917 W C 1.049 177.634 176.519 0.109 0.000 1.296 917 W CA 2.078 59.458 57.345 0.059 0.000 1.297 917 W CB -0.219 29.340 29.460 0.164 0.000 1.131 917 W HN 0.802 nan 8.180 nan 0.000 0.492 918 F N -0.500 119.605 119.950 0.259 0.000 2.654 918 F HA 0.631 5.157 4.527 -0.001 0.000 0.303 918 F C 0.225 176.085 175.800 0.099 0.000 1.099 918 F CA 0.126 58.214 58.000 0.146 0.000 1.270 918 F CB -0.441 38.663 39.000 0.172 0.000 1.024 918 F HN -0.193 nan 8.300 nan 0.000 0.548 919 G N 1.303 109.977 108.800 -0.210 0.000 2.753 919 G HA2 0.479 4.438 3.960 -0.000 0.000 0.295 919 G HA3 0.479 4.438 3.960 -0.000 0.000 0.295 919 G C -2.142 172.711 174.900 -0.077 0.000 1.437 919 G CA -1.051 43.966 45.100 -0.139 0.000 1.094 919 G HN 0.186 nan 8.290 nan 0.000 0.540 920 K N 1.410 121.795 120.400 -0.024 0.000 2.613 920 K HA 0.550 4.869 4.320 -0.000 0.000 0.248 920 K C -1.340 175.266 176.600 0.009 0.000 0.959 920 K CA -0.612 55.673 56.287 -0.005 0.000 0.855 920 K CB 2.057 34.556 32.500 -0.002 0.000 1.143 920 K HN 0.453 nan 8.250 nan 0.000 0.437 921 E N 4.244 124.454 120.200 0.016 0.000 2.266 921 E HA 0.436 4.786 4.350 -0.000 0.000 0.268 921 E C -1.371 175.250 176.600 0.035 0.000 0.879 921 E CA -0.647 55.768 56.400 0.024 0.000 0.762 921 E CB 1.328 31.044 29.700 0.026 0.000 1.199 921 E HN 0.528 nan 8.360 nan 0.000 0.422 922 I N 4.752 125.343 120.570 0.035 0.000 2.418 922 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 922 I C -1.184 174.962 176.117 0.047 0.000 1.008 922 I CA -1.155 60.169 61.300 0.040 0.000 1.104 922 I CB 1.427 39.440 38.000 0.021 0.000 1.264 922 I HN 0.458 nan 8.210 nan 0.000 0.438 923 L N 9.204 130.473 121.223 0.076 0.000 2.313 923 L HA 0.614 4.954 4.340 -0.000 0.000 0.283 923 L C -0.813 176.113 176.870 0.092 0.000 1.013 923 L CA -0.286 54.608 54.840 0.090 0.000 0.816 923 L CB 1.569 43.695 42.059 0.112 0.000 1.236 923 L HN 0.264 nan 8.230 nan 0.000 0.419 924 V N 3.980 123.926 119.914 0.053 0.000 2.630 924 V HA 0.752 4.872 4.120 -0.000 0.000 0.305 924 V C -0.064 176.059 176.094 0.049 0.000 1.046 924 V CA -0.723 61.589 62.300 0.020 0.000 0.934 924 V CB 1.509 33.324 31.823 -0.014 0.000 1.003 924 V HN 0.806 nan 8.190 nan 0.000 0.451 925 K N 1.191 121.610 120.400 0.032 0.000 2.509 925 K HA 0.811 5.131 4.320 -0.000 0.000 0.266 925 K C -1.038 175.584 176.600 0.037 0.000 0.987 925 K CA -0.391 55.939 56.287 0.071 0.000 0.868 925 K CB 2.481 35.079 32.500 0.164 0.000 1.421 925 K HN 0.972 nan 8.250 nan 0.000 0.444 926 T N -0.298 114.296 114.554 0.067 0.000 2.971 926 T HA 0.459 4.809 4.350 -0.000 0.000 0.304 926 T C -1.086 173.676 174.700 0.104 0.000 1.038 926 T CA -0.732 61.422 62.100 0.090 0.000 1.007 926 T CB 0.806 69.735 68.868 0.102 0.000 1.055 926 T HN 0.403 nan 8.240 nan 0.000 0.451 927 L N 2.982 124.251 121.223 0.078 0.000 2.277 927 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 927 L C 0.089 176.896 176.870 -0.105 0.000 1.028 927 L CA -0.939 53.903 54.840 0.003 0.000 0.835 927 L CB 0.648 42.694 42.059 -0.021 0.000 1.215 927 L HN 0.656 nan 8.230 nan 0.000 0.425 928 R N 3.152 123.598 120.500 -0.090 0.000 2.399 928 R HA 0.259 4.598 4.340 -0.000 0.000 0.324 928 R C -0.758 175.437 176.300 -0.175 0.000 1.030 928 R CA -0.023 55.970 56.100 -0.179 0.000 0.984 928 R CB 0.588 30.757 30.300 -0.218 0.000 0.961 928 R HN 0.374 nan 8.270 nan 0.000 0.433 929 V N 4.512 124.298 119.914 -0.213 0.000 2.667 929 V HA 0.513 4.632 4.120 -0.000 0.000 0.308 929 V C 0.131 176.160 176.094 -0.108 0.000 1.048 929 V CA -0.640 61.576 62.300 -0.141 0.000 0.928 929 V CB 1.978 33.713 31.823 -0.146 0.000 1.004 929 V HN 0.418 nan 8.190 nan 0.000 0.444 930 V N 4.476 124.357 119.914 -0.055 0.000 3.156 930 V HA 0.605 4.724 4.120 -0.000 0.000 0.310 930 V C -2.426 173.671 176.094 0.005 0.000 1.234 930 V CA -1.468 60.831 62.300 -0.002 0.000 1.065 930 V CB 2.439 34.292 31.823 0.050 0.000 1.088 930 V HN 0.746 nan 8.190 nan 0.000 0.451 931 P HA 0.587 nan 4.420 nan 0.000 0.329 931 P C -1.601 175.831 177.300 0.220 0.000 1.293 931 P CA -0.462 62.685 63.100 0.078 0.000 0.813 931 P CB 0.799 32.440 31.700 -0.098 0.000 1.960 932 E N -1.087 119.291 120.200 0.296 0.000 2.528 932 E HA 0.558 4.908 4.350 -0.000 0.000 0.277 932 E C -0.968 175.882 176.600 0.417 0.000 0.980 932 E CA -0.490 56.075 56.400 0.275 0.000 0.796 932 E CB 0.554 30.318 29.700 0.106 0.000 1.427 932 E HN 0.721 nan 8.360 nan 0.000 0.394 933 G N 1.151 110.201 108.800 0.416 0.000 2.929 933 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.335 933 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.335 933 G C -0.621 174.301 174.900 0.036 0.000 1.054 933 G CA -0.673 44.590 45.100 0.272 0.000 1.067 933 G HN 0.402 nan 8.290 nan 0.000 0.472 934 V N 3.570 123.418 119.914 -0.110 0.000 2.293 934 V HA 0.500 4.620 4.120 -0.000 0.000 0.275 934 V C 0.107 176.101 176.094 -0.167 0.000 1.021 934 V CA -0.795 61.332 62.300 -0.289 0.000 0.815 934 V CB 1.362 32.913 31.823 -0.453 0.000 1.025 934 V HN 0.562 nan 8.190 nan 0.000 0.448 935 K N 4.774 125.114 120.400 -0.100 0.000 2.138 935 K HA 0.611 4.930 4.320 -0.000 0.000 0.263 935 K C -0.004 176.587 176.600 -0.016 0.000 0.965 935 K CA -0.546 55.722 56.287 -0.032 0.000 0.868 935 K CB 1.456 33.959 32.500 0.006 0.000 1.083 935 K HN 0.765 nan 8.250 nan 0.000 0.443 936 R N 1.331 121.840 120.500 0.015 0.000 2.476 936 R HA 0.355 4.695 4.340 -0.000 0.000 0.305 936 R C -1.034 175.270 176.300 0.007 0.000 0.965 936 R CA -0.596 55.511 56.100 0.013 0.000 0.867 936 R CB 1.297 31.610 30.300 0.022 0.000 1.176 936 R HN 0.637 nan 8.270 nan 0.000 0.447 937 E N 2.521 122.706 120.200 -0.026 0.000 2.114 937 E HA 0.211 4.560 4.350 -0.000 0.000 0.266 937 E C -0.388 176.114 176.600 -0.163 0.000 0.896 937 E CA -0.903 55.471 56.400 -0.045 0.000 0.750 937 E CB 1.787 31.484 29.700 -0.004 0.000 1.121 937 E HN 0.781 nan 8.360 nan 0.000 0.413 938 S N 2.519 118.116 115.700 -0.172 0.000 2.526 938 S HA -0.098 4.372 4.470 -0.000 0.000 0.220 938 S C 1.565 176.064 174.600 -0.168 0.000 1.017 938 S CA -0.148 57.935 58.200 -0.195 0.000 0.930 938 S CB -0.840 62.199 63.200 -0.268 0.000 0.856 938 S HN 0.651 nan 8.310 nan 0.000 0.497 939 Y N 3.954 124.213 120.300 -0.068 0.000 2.491 939 Y HA -0.033 4.516 4.550 -0.000 0.000 0.280 939 Y C 0.714 176.589 175.900 -0.041 0.000 1.177 939 Y CA 0.004 58.067 58.100 -0.061 0.000 1.366 939 Y CB -1.925 36.510 38.460 -0.042 0.000 0.966 939 Y HN 0.367 nan 8.280 nan 0.000 0.573 940 S N 0.121 115.753 115.700 -0.114 0.000 2.565 940 S HA 0.715 5.185 4.470 -0.000 0.000 0.276 940 S C 0.300 174.976 174.600 0.128 0.000 1.326 940 S CA -0.067 58.167 58.200 0.056 0.000 1.045 940 S CB 1.394 64.701 63.200 0.179 0.000 0.918 940 S HN 1.065 nan 8.310 nan 0.000 0.505 941 G N 0.264 109.161 108.800 0.161 0.000 2.328 941 G HA2 0.499 4.459 3.960 -0.000 0.000 0.295 941 G HA3 0.499 4.459 3.960 -0.000 0.000 0.295 941 G C -1.644 173.238 174.900 -0.029 0.000 1.413 941 G CA -0.324 44.804 45.100 0.046 0.000 0.817 941 G HN 1.268 nan 8.290 nan 0.000 0.546 942 V N -1.018 118.854 119.914 -0.071 0.000 3.147 942 V HA 0.755 4.874 4.120 -0.000 0.000 0.306 942 V C -0.323 175.714 176.094 -0.095 0.000 1.209 942 V CA -0.928 61.327 62.300 -0.074 0.000 1.023 942 V CB 2.118 33.922 31.823 -0.031 0.000 1.059 942 V HN 0.891 nan 8.190 nan 0.000 0.435 943 T N 3.559 118.077 114.554 -0.060 0.000 2.770 943 T HA 0.495 4.845 4.350 -0.000 0.000 0.297 943 T C -0.187 174.485 174.700 -0.046 0.000 0.997 943 T CA -0.214 61.844 62.100 -0.071 0.000 0.949 943 T CB 0.323 69.132 68.868 -0.098 0.000 0.941 943 T HN 0.401 nan 8.240 nan 0.000 0.457 944 L N 4.033 125.229 121.223 -0.045 0.000 2.500 944 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 944 L C 0.280 177.130 176.870 -0.032 0.000 1.149 944 L CA 0.230 55.050 54.840 -0.033 0.000 0.897 944 L CB 0.238 42.274 42.059 -0.039 0.000 1.178 944 L HN 0.589 nan 8.230 nan 0.000 0.473 945 D N 6.117 126.514 120.400 -0.005 0.000 2.358 945 D HA 0.258 4.898 4.640 -0.000 0.000 0.253 945 D C -1.972 174.351 176.300 0.038 0.000 1.288 945 D CA -1.456 52.560 54.000 0.027 0.000 0.950 945 D CB 1.994 42.839 40.800 0.074 0.000 1.197 945 D HN 0.148 nan 8.370 nan 0.000 0.550 946 P HA 0.117 nan 4.420 nan 0.000 0.235 946 P C 0.861 178.237 177.300 0.126 0.000 1.177 946 P CA 0.194 63.323 63.100 0.048 0.000 0.785 946 P CB 0.631 32.303 31.700 -0.046 0.000 0.885 947 R N -0.529 120.022 120.500 0.084 0.000 2.546 947 R HA 0.297 4.637 4.340 -0.000 0.000 0.320 947 R C 1.249 177.609 176.300 0.100 0.000 1.021 947 R CA 0.379 56.550 56.100 0.118 0.000 1.088 947 R CB -0.698 29.628 30.300 0.043 0.000 1.278 947 R HN 0.166 nan 8.270 nan 0.000 0.557 948 G N 2.073 110.929 108.800 0.093 0.000 2.249 948 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.273 948 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.273 948 G C 1.258 176.194 174.900 0.059 0.000 0.995 948 G CA 0.725 45.867 45.100 0.071 0.000 0.671 948 G HN 0.347 nan 8.290 nan 0.000 0.539 949 I N -1.205 119.409 120.570 0.073 0.000 2.244 949 I HA -0.313 3.857 4.170 -0.000 0.000 0.252 949 I C 2.118 178.123 176.117 -0.188 0.000 1.062 949 I CA 2.153 63.447 61.300 -0.009 0.000 1.342 949 I CB -0.924 37.155 38.000 0.132 0.000 1.031 949 I HN 0.449 nan 8.210 nan 0.000 0.433 950 Y N -0.246 120.051 120.300 -0.004 0.000 2.458 950 Y HA 0.324 4.874 4.550 -0.000 0.000 0.256 950 Y C 1.795 177.660 175.900 -0.058 0.000 1.159 950 Y CA 0.614 58.703 58.100 -0.019 0.000 1.261 950 Y CB 0.740 39.192 38.460 -0.013 0.000 1.119 950 Y HN 0.332 nan 8.280 nan 0.000 0.524 951 G N -0.876 107.922 108.800 -0.003 0.000 2.485 951 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.181 951 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.181 951 G C 0.234 175.116 174.900 -0.029 0.000 0.999 951 G CA 0.064 45.138 45.100 -0.043 0.000 0.721 951 G HN 0.371 nan 8.290 nan 0.000 0.486 952 T N -0.901 113.652 114.554 -0.001 0.000 2.677 952 T HA 0.543 4.893 4.350 -0.000 0.000 0.305 952 T C -1.375 173.342 174.700 0.027 0.000 1.569 952 T CA 0.172 62.274 62.100 0.004 0.000 0.984 952 T CB 1.026 69.889 68.868 -0.010 0.000 1.629 952 T HN 1.513 nan 8.240 nan 0.000 0.494 953 I N 1.481 122.066 120.570 0.025 0.000 2.297 953 I HA 0.712 4.882 4.170 -0.000 0.000 0.291 953 I C -0.350 175.784 176.117 0.027 0.000 1.033 953 I CA -0.168 61.155 61.300 0.039 0.000 1.253 953 I CB 1.256 39.284 38.000 0.045 0.000 1.396 953 I HN 0.409 nan 8.210 nan 0.000 0.476 954 S N 6.761 122.478 115.700 0.029 0.000 2.466 954 S HA 0.469 4.939 4.470 -0.000 0.000 0.313 954 S C 0.452 175.057 174.600 0.009 0.000 1.078 954 S CA -0.642 57.565 58.200 0.012 0.000 1.115 954 S CB 0.083 63.287 63.200 0.007 0.000 1.006 954 S HN 0.794 nan 8.310 nan 0.000 0.487 955 R N 2.613 123.117 120.500 0.007 0.000 2.629 955 R HA 0.374 4.714 4.340 -0.000 0.000 0.386 955 R C -0.059 176.235 176.300 -0.010 0.000 1.071 955 R CA -0.083 56.020 56.100 0.004 0.000 1.104 955 R CB 0.708 31.022 30.300 0.023 0.000 1.370 955 R HN 0.345 nan 8.270 nan 0.000 0.574 956 R N 0.294 120.782 120.500 -0.020 0.000 2.644 956 R HA 0.241 4.580 4.340 -0.000 0.000 0.257 956 R C -1.823 174.438 176.300 -0.065 0.000 1.082 956 R CA -0.767 55.314 56.100 -0.032 0.000 0.927 956 R CB 1.880 32.161 30.300 -0.031 0.000 1.258 956 R HN -0.128 nan 8.270 nan 0.000 0.459 957 K N 1.314 121.656 120.400 -0.096 0.000 2.501 957 K HA 0.270 4.590 4.320 -0.000 0.000 0.252 957 K C -1.618 174.821 176.600 -0.269 0.000 0.934 957 K CA -0.597 55.538 56.287 -0.254 0.000 0.797 957 K CB 2.209 34.441 32.500 -0.446 0.000 1.270 957 K HN 0.491 nan 8.250 nan 0.000 0.431 958 E N 4.268 124.295 120.200 -0.289 0.000 2.134 958 E HA 0.291 4.641 4.350 -0.000 0.000 0.278 958 E C -1.289 175.133 176.600 -0.297 0.000 0.959 958 E CA -0.709 55.598 56.400 -0.154 0.000 0.783 958 E CB 0.605 30.265 29.700 -0.066 0.000 1.095 958 E HN 0.408 nan 8.360 nan 0.000 0.399 959 F N 5.914 125.844 119.950 -0.033 0.000 2.415 959 F HA 0.454 4.980 4.527 -0.000 0.000 0.348 959 F C -2.043 173.764 175.800 0.011 0.000 1.119 959 F CA -2.050 55.932 58.000 -0.029 0.000 1.069 959 F CB 1.087 40.049 39.000 -0.064 0.000 1.124 959 F HN 0.358 nan 8.300 nan 0.000 0.472 960 P HA 0.295 nan 4.420 nan 0.000 0.319 960 P C -1.528 175.917 177.300 0.242 0.000 1.291 960 P CA -1.057 62.171 63.100 0.212 0.000 0.817 960 P CB 1.043 32.839 31.700 0.159 0.000 1.349 961 Y N 0.049 120.403 120.300 0.090 0.000 2.402 961 Y HA 0.292 4.841 4.550 -0.001 0.000 0.333 961 Y C 1.206 177.142 175.900 0.061 0.000 1.076 961 Y CA 0.345 58.489 58.100 0.072 0.000 1.299 961 Y CB 0.676 39.180 38.460 0.074 0.000 1.197 961 Y HN 0.135 nan 8.280 nan 0.000 0.517 962 R N 5.582 126.118 120.500 0.059 0.000 2.507 962 R HA 0.439 4.778 4.340 -0.000 0.000 0.298 962 R C -1.936 174.379 176.300 0.025 0.000 1.087 962 R CA -0.359 55.785 56.100 0.073 0.000 0.917 962 R CB 0.332 30.671 30.300 0.065 0.000 1.173 962 R HN 0.677 nan 8.270 nan 0.000 0.472 963 I N 5.828 126.444 120.570 0.077 0.000 2.312 963 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 963 I C -1.820 174.335 176.117 0.062 0.000 1.031 963 I CA -2.207 59.130 61.300 0.061 0.000 1.293 963 I CB 1.227 39.293 38.000 0.110 0.000 1.403 963 I HN 0.414 nan 8.210 nan 0.000 0.484 964 P HA 0.229 nan 4.420 nan 0.000 0.281 964 P C 0.468 177.804 177.300 0.060 0.000 1.252 964 P CA -0.437 62.698 63.100 0.058 0.000 0.778 964 P CB 0.832 32.567 31.700 0.058 0.000 0.895 965 L N 1.510 122.768 121.223 0.059 0.000 2.749 965 L HA -0.047 4.293 4.340 -0.000 0.000 0.245 965 L C 0.583 177.488 176.870 0.058 0.000 1.156 965 L CA 0.917 55.790 54.840 0.055 0.000 0.890 965 L CB -0.460 41.629 42.059 0.050 0.000 1.036 965 L HN 0.361 nan 8.230 nan 0.000 0.441 966 D N -0.221 120.219 120.400 0.066 0.000 2.395 966 D HA 0.103 4.743 4.640 -0.000 0.000 0.213 966 D C 0.422 176.773 176.300 0.085 0.000 1.110 966 D CA -0.169 53.878 54.000 0.077 0.000 0.835 966 D CB 0.625 41.478 40.800 0.087 0.000 0.965 966 D HN 0.079 nan 8.370 nan 0.000 0.505 967 L N 2.354 123.621 121.223 0.074 0.000 2.499 967 L HA 0.021 4.361 4.340 -0.000 0.000 0.273 967 L C 0.216 177.127 176.870 0.069 0.000 1.195 967 L CA -0.377 54.509 54.840 0.076 0.000 0.882 967 L CB 0.677 42.772 42.059 0.060 0.000 1.133 967 L HN -0.127 nan 8.230 nan 0.000 0.483 968 V N 5.252 125.214 119.914 0.081 0.000 2.450 968 V HA 0.277 4.396 4.120 -0.000 0.000 0.281 968 V C -2.004 174.101 176.094 0.019 0.000 1.019 968 V CA -1.561 60.772 62.300 0.054 0.000 1.062 968 V CB -0.600 31.266 31.823 0.071 0.000 0.979 968 V HN 0.783 nan 8.190 nan 0.000 0.477 969 P HA -0.032 nan 4.420 nan 0.000 0.266 969 P C 0.365 177.655 177.300 -0.017 0.000 1.180 969 P CA 0.338 63.437 63.100 -0.002 0.000 0.765 969 P CB 0.104 31.798 31.700 -0.009 0.000 0.806 970 K N -1.150 119.241 120.400 -0.015 0.000 3.071 970 K HA -0.190 4.130 4.320 -0.000 0.000 0.262 970 K C -0.145 176.432 176.600 -0.038 0.000 0.977 970 K CA 1.266 57.539 56.287 -0.024 0.000 0.721 970 K CB -1.869 30.611 32.500 -0.032 0.000 1.293 970 K HN 0.749 nan 8.250 nan 0.000 0.475 971 T N -1.605 112.927 114.554 -0.036 0.000 2.881 971 T HA 0.380 4.730 4.350 -0.000 0.000 0.291 971 T C -0.115 174.562 174.700 -0.039 0.000 0.990 971 T CA -1.062 60.997 62.100 -0.068 0.000 0.976 971 T CB 1.512 70.307 68.868 -0.122 0.000 0.970 971 T HN 0.233 nan 8.240 nan 0.000 0.438 972 E N 3.804 123.984 120.200 -0.034 0.000 2.392 972 E HA 0.435 4.785 4.350 -0.000 0.000 0.259 972 E C -0.320 176.273 176.600 -0.011 0.000 1.108 972 E CA -0.878 55.522 56.400 0.000 0.000 0.916 972 E CB 0.852 30.559 29.700 0.011 0.000 0.989 972 E HN 0.655 nan 8.360 nan 0.000 0.432 973 I N 1.781 122.343 120.570 -0.013 0.000 2.301 973 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 973 I C 0.427 176.520 176.117 -0.040 0.000 1.046 973 I CA -0.489 60.780 61.300 -0.053 0.000 1.282 973 I CB 0.585 38.482 38.000 -0.171 0.000 1.409 973 I HN 0.420 nan 8.210 nan 0.000 0.484 974 K N 8.125 128.523 120.400 -0.003 0.000 2.218 974 K HA 0.548 4.867 4.320 -0.000 0.000 0.276 974 K C -0.578 176.017 176.600 -0.008 0.000 1.022 974 K CA -0.532 55.763 56.287 0.014 0.000 0.946 974 K CB 0.832 33.361 32.500 0.048 0.000 1.000 974 K HN 0.710 nan 8.250 nan 0.000 0.468 975 R N 3.257 123.749 120.500 -0.012 0.000 2.579 975 R HA 0.350 4.690 4.340 -0.000 0.000 0.260 975 R C -1.414 174.863 176.300 -0.039 0.000 1.103 975 R CA -0.820 55.258 56.100 -0.036 0.000 0.942 975 R CB 0.316 30.565 30.300 -0.085 0.000 1.251 975 R HN 0.397 nan 8.270 nan 0.000 0.450 976 I N 2.394 122.942 120.570 -0.037 0.000 2.562 976 I HA 0.460 4.629 4.170 -0.000 0.000 0.301 976 I C -0.550 175.467 176.117 -0.167 0.000 1.003 976 I CA -1.226 60.038 61.300 -0.061 0.000 1.127 976 I CB 1.949 39.968 38.000 0.033 0.000 1.304 976 I HN 0.511 nan 8.210 nan 0.000 0.446 977 L N 4.150 125.242 121.223 -0.218 0.000 2.325 977 L HA 0.558 4.897 4.340 -0.000 0.000 0.281 977 L C -0.304 176.387 176.870 -0.298 0.000 1.004 977 L CA 0.182 54.858 54.840 -0.275 0.000 0.823 977 L CB 1.543 43.453 42.059 -0.247 0.000 1.236 977 L HN 0.642 nan 8.230 nan 0.000 0.415 978 S N 4.638 120.141 115.700 -0.328 0.000 2.406 978 S HA 0.475 4.944 4.470 -0.000 0.000 0.224 978 S C -0.841 173.692 174.600 -0.113 0.000 1.426 978 S CA -0.570 57.416 58.200 -0.357 0.000 1.179 978 S CB 0.393 63.132 63.200 -0.768 0.000 1.042 978 S HN 0.374 nan 8.310 nan 0.000 0.479 979 V N 7.059 126.958 119.914 -0.025 0.000 2.385 979 V HA 0.545 4.665 4.120 -0.000 0.000 0.269 979 V C -0.088 176.073 176.094 0.113 0.000 1.043 979 V CA -0.397 61.950 62.300 0.078 0.000 0.906 979 V CB 0.593 32.534 31.823 0.196 0.000 0.995 979 V HN 0.731 nan 8.190 nan 0.000 0.467 980 K N 3.357 123.819 120.400 0.103 0.000 2.527 980 K HA 0.601 4.920 4.320 -0.000 0.000 0.260 980 K C -0.069 176.611 176.600 0.135 0.000 0.937 980 K CA -0.672 55.700 56.287 0.141 0.000 0.826 980 K CB 2.027 34.599 32.500 0.119 0.000 1.359 980 K HN 0.626 nan 8.250 nan 0.000 0.434 981 G N 1.868 110.796 108.800 0.214 0.000 2.527 981 G HA2 0.480 4.440 3.960 -0.000 0.000 0.248 981 G HA3 0.480 4.440 3.960 -0.000 0.000 0.248 981 G C -0.023 174.859 174.900 -0.031 0.000 1.231 981 G CA -0.649 44.469 45.100 0.031 0.000 0.838 981 G HN 0.613 nan 8.290 nan 0.000 0.570 982 L N -0.310 120.818 121.223 -0.157 0.000 0.589 982 L HA -0.159 4.181 4.340 -0.000 0.000 0.356 982 L C 0.622 177.438 176.870 -0.091 0.000 1.004 982 L CA -0.757 53.986 54.840 -0.162 0.000 1.223 982 L CB -0.580 41.334 42.059 -0.242 0.000 0.059 982 L HN 0.472 nan 8.230 nan 0.000 0.097 983 L N 2.287 123.457 121.223 -0.088 0.000 2.275 983 L HA -0.001 4.339 4.340 -0.000 0.000 0.215 983 L C 1.809 178.628 176.870 -0.085 0.000 1.119 983 L CA 1.574 56.367 54.840 -0.077 0.000 0.790 983 L CB -0.331 41.694 42.059 -0.056 0.000 0.919 983 L HN 0.542 nan 8.230 nan 0.000 0.443 984 V N -0.692 119.139 119.914 -0.137 0.000 3.099 984 V HA 0.295 4.415 4.120 -0.000 0.000 0.356 984 V C 1.708 177.670 176.094 -0.219 0.000 1.364 984 V CA 0.543 62.705 62.300 -0.230 0.000 1.229 984 V CB 0.319 31.889 31.823 -0.422 0.000 1.227 984 V HN 0.401 nan 8.190 nan 0.000 0.493 985 G N -0.445 108.303 108.800 -0.088 0.000 2.539 985 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.215 985 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.215 985 G C 1.203 176.095 174.900 -0.013 0.000 1.141 985 G CA 0.536 45.642 45.100 0.011 0.000 0.806 985 G HN 0.505 nan 8.290 nan 0.000 0.533 986 E N 0.994 121.174 120.200 -0.033 0.000 2.031 986 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 986 E C 2.472 179.042 176.600 -0.049 0.000 0.994 986 E CA 0.770 57.145 56.400 -0.042 0.000 0.800 986 E CB -0.291 29.350 29.700 -0.098 0.000 0.752 986 E HN 0.476 nan 8.360 nan 0.000 0.447 987 I N 0.414 120.939 120.570 -0.075 0.000 2.700 987 I HA -0.222 3.948 4.170 -0.000 0.000 0.261 987 I C 2.002 178.082 176.117 -0.062 0.000 1.219 987 I CA 0.697 61.959 61.300 -0.064 0.000 1.463 987 I CB -0.359 37.593 38.000 -0.079 0.000 1.092 987 I HN 0.125 nan 8.210 nan 0.000 0.452 988 L N -0.166 121.004 121.223 -0.088 0.000 2.145 988 L HA -0.074 4.265 4.340 -0.000 0.000 0.201 988 L C 2.749 179.595 176.870 -0.039 0.000 1.075 988 L CA 0.863 55.655 54.840 -0.079 0.000 0.773 988 L CB -0.358 41.630 42.059 -0.117 0.000 0.936 988 L HN 0.163 nan 8.230 nan 0.000 0.451 989 S N -0.015 115.660 115.700 -0.042 0.000 2.399 989 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 989 S C 2.057 176.660 174.600 0.004 0.000 1.022 989 S CA 1.288 59.472 58.200 -0.027 0.000 0.983 989 S CB -0.059 63.129 63.200 -0.020 0.000 0.803 989 S HN 0.427 nan 8.310 nan 0.000 0.480 990 A N 0.220 123.043 122.820 0.005 0.000 1.969 990 A HA 0.050 4.369 4.320 -0.000 0.000 0.218 990 A C 2.092 179.687 177.584 0.019 0.000 1.169 990 A CA 1.567 53.608 52.037 0.007 0.000 0.635 990 A CB -0.446 18.547 19.000 -0.010 0.000 0.810 990 A HN 0.478 nan 8.150 nan 0.000 0.445 991 V N -0.918 119.015 119.914 0.032 0.000 3.590 991 V HA 0.147 4.267 4.120 -0.000 0.000 0.265 991 V C 0.652 176.790 176.094 0.074 0.000 1.239 991 V CA 0.744 63.079 62.300 0.058 0.000 1.117 991 V CB -0.160 31.712 31.823 0.081 0.000 0.818 991 V HN 0.495 nan 8.190 nan 0.000 0.451 992 L N -0.992 120.271 121.223 0.067 0.000 3.083 992 L HA 0.464 4.804 4.340 -0.000 0.000 0.286 992 L C 0.591 177.491 176.870 0.050 0.000 1.307 992 L CA 0.198 55.091 54.840 0.088 0.000 0.897 992 L CB 0.606 42.760 42.059 0.160 0.000 1.306 992 L HN 0.018 nan 8.230 nan 0.000 0.569 993 S N -0.796 114.923 115.700 0.031 0.000 2.590 993 S HA 0.063 4.533 4.470 -0.000 0.000 0.281 993 S C 0.104 174.713 174.600 0.014 0.000 1.068 993 S CA -0.337 57.872 58.200 0.016 0.000 1.193 993 S CB 0.777 63.982 63.200 0.009 0.000 1.040 993 S HN 0.577 nan 8.310 nan 0.000 0.544 994 Q N 1.283 121.094 119.800 0.017 0.000 2.342 994 Q HA 0.776 5.116 4.340 -0.000 0.000 0.267 994 Q C -1.014 174.995 176.000 0.016 0.000 1.038 994 Q CA -0.709 55.102 55.803 0.013 0.000 0.832 994 Q CB 1.401 30.144 28.738 0.008 0.000 1.323 994 Q HN -0.083 nan 8.270 nan 0.000 0.448 995 E N 1.083 121.289 120.200 0.010 0.000 2.351 995 E HA 0.559 4.908 4.350 -0.000 0.000 0.255 995 E C -0.316 176.288 176.600 0.007 0.000 1.188 995 E CA 0.663 57.069 56.400 0.009 0.000 0.940 995 E CB 0.779 30.480 29.700 0.002 0.000 1.094 995 E HN 0.926 nan 8.360 nan 0.000 0.474 996 G N 1.232 110.034 108.800 0.003 0.000 3.255 996 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.673 996 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.673 996 G C 0.233 175.136 174.900 0.006 0.000 0.995 996 G CA 0.124 45.223 45.100 -0.002 0.000 0.988 996 G HN 0.668 nan 8.290 nan 0.000 0.540 997 I N 0.043 120.617 120.570 0.006 0.000 2.932 997 I HA 0.435 4.604 4.170 -0.000 0.000 0.295 997 I C 0.172 176.296 176.117 0.013 0.000 1.227 997 I CA 0.398 61.707 61.300 0.015 0.000 1.429 997 I CB 1.065 39.073 38.000 0.013 0.000 1.339 997 I HN 0.843 nan 8.210 nan 0.000 0.589 998 N N 5.293 124.004 118.700 0.017 0.000 2.367 998 N HA 0.425 5.164 4.740 -0.000 0.000 0.278 998 N C -1.001 174.516 175.510 0.012 0.000 1.117 998 N CA -0.778 52.279 53.050 0.011 0.000 0.867 998 N CB 1.524 40.011 38.487 -0.001 0.000 1.649 998 N HN 0.575 nan 8.380 nan 0.000 0.479 999 I N 2.252 122.830 120.570 0.012 0.000 2.882 999 I HA 0.110 4.280 4.170 -0.000 0.000 0.286 999 I C 1.124 177.225 176.117 -0.027 0.000 1.139 999 I CA -0.107 61.201 61.300 0.013 0.000 1.379 999 I CB 0.304 38.324 38.000 0.032 0.000 1.410 999 I HN 0.663 nan 8.210 nan 0.000 0.594 1000 L N 3.282 124.486 121.223 -0.031 0.000 2.741 1000 L HA 0.137 4.477 4.340 -0.000 0.000 0.237 1000 L C 0.086 176.887 176.870 -0.116 0.000 1.178 1000 L CA 0.291 55.090 54.840 -0.069 0.000 0.973 1000 L CB -0.142 41.894 42.059 -0.039 0.000 1.255 1000 L HN 0.795 nan 8.230 nan 0.000 0.498 1001 T N -4.965 109.509 114.554 -0.133 0.000 2.618 1001 T HA 0.223 4.573 4.350 -0.000 0.000 0.286 1001 T C 0.261 174.822 174.700 -0.232 0.000 1.027 1001 T CA -0.580 61.401 62.100 -0.197 0.000 1.063 1001 T CB 1.067 69.825 68.868 -0.183 0.000 1.440 1001 T HN -0.046 nan 8.240 nan 0.000 0.505 1002 H N -0.423 118.626 119.070 -0.036 0.000 2.539 1002 H HA 0.350 4.906 4.556 -0.000 0.000 0.267 1002 H C 0.278 175.630 175.328 0.040 0.000 0.982 1002 H CA -0.076 55.979 56.048 0.011 0.000 1.146 1002 H CB -0.152 29.628 29.762 0.030 0.000 1.382 1002 H HN 0.054 nan 8.280 nan 0.000 0.577 1003 L N 4.257 125.532 121.223 0.087 0.000 2.562 1003 L HA 0.066 4.406 4.340 -0.000 0.000 0.271 1003 L C -1.720 175.305 176.870 0.258 0.000 1.167 1003 L CA -1.446 53.492 54.840 0.164 0.000 0.917 1003 L CB 0.012 42.070 42.059 -0.002 0.000 1.187 1003 L HN 0.071 nan 8.230 nan 0.000 0.482 1004 P HA -0.052 nan 4.420 nan 0.000 0.263 1004 P C 0.003 177.404 177.300 0.169 0.000 1.175 1004 P CA -0.058 63.162 63.100 0.200 0.000 0.761 1004 P CB 0.641 32.460 31.700 0.199 0.000 0.794 1005 K N 2.211 122.685 120.400 0.123 0.000 2.551 1005 K HA 0.012 4.331 4.320 -0.000 0.000 0.192 1005 K C 2.014 178.693 176.600 0.132 0.000 1.027 1005 K CA 0.522 56.880 56.287 0.119 0.000 1.059 1005 K CB -0.610 31.948 32.500 0.098 0.000 0.831 1005 K HN 0.633 nan 8.250 nan 0.000 0.508 1006 G N 1.358 110.240 108.800 0.136 0.000 2.446 1006 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.217 1006 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.217 1006 G C 0.912 176.051 174.900 0.399 0.000 1.168 1006 G CA 0.422 45.663 45.100 0.236 0.000 0.771 1006 G HN 0.355 nan 8.290 nan 0.000 0.551 1007 S N -0.208 115.625 115.700 0.220 0.000 2.580 1007 S HA 0.387 4.857 4.470 -0.000 0.000 0.266 1007 S C 1.816 176.276 174.600 -0.233 0.000 1.354 1007 S CA 0.364 58.536 58.200 -0.046 0.000 1.008 1007 S CB 1.079 64.184 63.200 -0.158 0.000 0.898 1007 S HN 0.616 nan 8.310 nan 0.000 0.555 1008 A N 1.815 124.316 122.820 -0.532 0.000 2.015 1008 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 1008 A C 2.020 179.350 177.584 -0.423 0.000 1.163 1008 A CA 1.430 52.864 52.037 -1.005 0.000 0.646 1008 A CB -0.757 17.847 19.000 -0.660 0.000 0.806 1008 A HN 0.969 nan 8.150 nan 0.000 0.448 1009 E N -0.069 120.007 120.200 -0.206 0.000 2.209 1009 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 1009 E C 1.935 178.578 176.600 0.071 0.000 0.993 1009 E CA 0.939 57.331 56.400 -0.014 0.000 0.819 1009 E CB -0.138 29.631 29.700 0.115 0.000 0.745 1009 E HN 0.586 nan 8.360 nan 0.000 0.477 1010 A N 0.335 123.178 122.820 0.039 0.000 2.072 1010 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 1010 A C 1.827 179.434 177.584 0.040 0.000 1.156 1010 A CA 0.729 52.828 52.037 0.103 0.000 0.701 1010 A CB -0.030 19.053 19.000 0.138 0.000 0.816 1010 A HN 0.074 nan 8.150 nan 0.000 0.458 1011 E N -0.032 120.130 120.200 -0.063 0.000 2.112 1011 E HA 0.035 4.384 4.350 -0.000 0.000 0.190 1011 E C 1.865 178.455 176.600 -0.015 0.000 0.979 1011 E CA 0.558 56.921 56.400 -0.061 0.000 0.814 1011 E CB -0.255 29.336 29.700 -0.182 0.000 0.762 1011 E HN 0.593 nan 8.360 nan 0.000 0.460 1012 L N -0.487 120.739 121.223 0.005 0.000 2.005 1012 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 1012 L C 2.231 179.160 176.870 0.099 0.000 1.072 1012 L CA 1.046 55.922 54.840 0.059 0.000 0.744 1012 L CB -0.248 41.922 42.059 0.185 0.000 0.895 1012 L HN 0.236 nan 8.230 nan 0.000 0.433 1013 M N -0.297 119.409 119.600 0.176 0.000 2.623 1013 M HA -0.165 4.315 4.480 -0.000 0.000 0.258 1013 M C 2.212 178.576 176.300 0.106 0.000 1.067 1013 M CA 1.455 56.861 55.300 0.176 0.000 1.068 1013 M CB -0.332 32.380 32.600 0.187 0.000 1.409 1013 M HN 0.350 nan 8.290 nan 0.000 0.504 1014 S N -2.066 113.677 115.700 0.071 0.000 2.388 1014 S HA -0.055 4.415 4.470 -0.000 0.000 0.223 1014 S C 1.848 176.473 174.600 0.042 0.000 1.034 1014 S CA 0.878 59.107 58.200 0.049 0.000 0.963 1014 S CB -1.022 62.198 63.200 0.033 0.000 0.827 1014 S HN 0.365 nan 8.310 nan 0.000 0.481 1015 V N 1.800 121.728 119.914 0.024 0.000 2.594 1015 V HA -0.087 4.033 4.120 -0.000 0.000 0.253 1015 V C 2.288 178.410 176.094 0.046 0.000 1.069 1015 V CA 1.627 63.934 62.300 0.012 0.000 1.082 1015 V CB -0.630 31.167 31.823 -0.043 0.000 0.680 1015 V HN 0.466 nan 8.190 nan 0.000 0.469 1016 V N 0.934 120.881 119.914 0.055 0.000 2.217 1016 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 1016 V C 0.282 176.461 176.094 0.142 0.000 1.050 1016 V CA 3.160 65.514 62.300 0.089 0.000 1.007 1016 V CB -1.935 29.990 31.823 0.170 0.000 0.639 1016 V HN 0.509 nan 8.190 nan 0.000 0.452 1017 P HA -0.090 nan 4.420 nan 0.000 0.221 1017 P C 1.659 179.042 177.300 0.139 0.000 1.145 1017 P CA 1.101 64.297 63.100 0.160 0.000 0.795 1017 P CB -0.059 31.701 31.700 0.100 0.000 0.775 1018 V N -0.872 119.121 119.914 0.132 0.000 2.283 1018 V HA -0.210 3.909 4.120 -0.000 0.000 0.243 1018 V C 2.124 178.343 176.094 0.207 0.000 1.039 1018 V CA 1.542 63.936 62.300 0.157 0.000 1.016 1018 V CB -1.431 30.470 31.823 0.130 0.000 0.650 1018 V HN 0.035 nan 8.190 nan 0.000 0.449 1019 F N 0.953 120.918 119.950 0.025 0.000 2.065 1019 F HA -0.272 4.255 4.527 -0.001 0.000 0.298 1019 F C 2.320 178.181 175.800 0.102 0.000 1.112 1019 F CA 1.768 59.768 58.000 -0.000 0.000 1.212 1019 F CB -0.890 37.956 39.000 -0.257 0.000 0.975 1019 F HN 0.184 nan 8.300 nan 0.000 0.476 1020 Y N 0.112 120.267 120.300 -0.240 0.000 2.128 1020 Y HA -0.187 4.363 4.550 -0.001 0.000 0.284 1020 Y C 2.748 178.591 175.900 -0.096 0.000 1.154 1020 Y CA 1.579 59.493 58.100 -0.309 0.000 1.149 1020 Y CB -1.446 36.951 38.460 -0.106 0.000 0.976 1020 Y HN -0.030 nan 8.280 nan 0.000 0.505 1021 V N -0.606 119.382 119.914 0.124 0.000 2.287 1021 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 1021 V C 2.142 178.280 176.094 0.074 0.000 1.053 1021 V CA 2.016 64.365 62.300 0.083 0.000 1.027 1021 V CB -0.820 31.052 31.823 0.082 0.000 0.646 1021 V HN 0.393 nan 8.190 nan 0.000 0.447 1022 F N -0.232 119.710 119.950 -0.013 0.000 2.293 1022 F HA -0.177 4.349 4.527 -0.001 0.000 0.300 1022 F C 2.385 178.044 175.800 -0.234 0.000 1.086 1022 F CA 2.076 60.030 58.000 -0.076 0.000 1.375 1022 F CB -0.299 38.706 39.000 0.008 0.000 1.045 1022 F HN 0.303 nan 8.300 nan 0.000 0.516 1023 H N -1.479 117.532 119.070 -0.099 0.000 2.333 1023 H HA -0.235 4.320 4.556 -0.001 0.000 0.302 1023 H C 2.209 177.513 175.328 -0.040 0.000 1.075 1023 H CA 1.851 57.891 56.048 -0.014 0.000 1.348 1023 H CB -0.711 28.994 29.762 -0.095 0.000 1.393 1023 H HN 0.450 nan 8.280 nan 0.000 0.509 1024 Y N 1.100 121.253 120.300 -0.246 0.000 2.274 1024 Y HA -0.174 4.376 4.550 -0.000 0.000 0.290 1024 Y C 2.385 178.092 175.900 -0.321 0.000 1.145 1024 Y CA 1.112 59.052 58.100 -0.266 0.000 1.203 1024 Y CB -0.316 38.058 38.460 -0.144 0.000 0.984 1024 Y HN 0.153 nan 8.280 nan 0.000 0.533 1025 L N -0.029 121.006 121.223 -0.313 0.000 2.072 1025 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 1025 L C 2.373 178.552 176.870 -1.152 0.000 1.079 1025 L CA 1.913 56.271 54.840 -0.804 0.000 0.752 1025 L CB -0.275 41.022 42.059 -1.270 0.000 0.906 1025 L HN 0.285 nan 8.230 nan 0.000 0.436 1026 E N -0.829 118.837 120.200 -0.890 0.000 2.099 1026 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 1026 E C 1.794 178.231 176.600 -0.273 0.000 0.962 1026 E CA 1.136 57.259 56.400 -0.462 0.000 0.826 1026 E CB 0.079 29.504 29.700 -0.458 0.000 0.788 1026 E HN 0.004 nan 8.360 nan 0.000 0.461 1027 T N -0.781 113.603 114.554 -0.284 0.000 3.160 1027 T HA 0.155 4.505 4.350 -0.000 0.000 0.257 1027 T C 0.736 175.254 174.700 -0.303 0.000 1.147 1027 T CA 0.886 62.871 62.100 -0.191 0.000 1.064 1027 T CB 0.028 68.797 68.868 -0.166 0.000 0.949 1027 T HN 0.263 nan 8.240 nan 0.000 0.526 1028 G N 2.114 110.630 108.800 -0.473 0.000 4.432 1028 G HA2 0.199 4.159 3.960 -0.000 0.000 0.294 1028 G HA3 0.199 4.159 3.960 -0.000 0.000 0.294 1028 G C -0.081 174.271 174.900 -0.914 0.000 1.141 1028 G CA -0.863 43.881 45.100 -0.594 0.000 0.895 1028 G HN 0.618 nan 8.290 nan 0.000 0.548 1029 N N 0.150 118.517 118.700 -0.555 0.000 1.545 1029 N HA -0.282 4.458 4.740 -0.000 0.000 0.377 1029 N C 0.126 175.205 175.510 -0.718 0.000 1.173 1029 N CA 0.586 53.362 53.050 -0.457 0.000 0.786 1029 N CB -0.025 38.361 38.487 -0.168 0.000 0.999 1029 N HN 0.313 nan 8.380 nan 0.000 0.543 1030 H N 1.263 120.090 119.070 -0.405 0.000 3.367 1030 H HA 0.041 4.597 4.556 -0.000 0.000 0.257 1030 H C 0.140 175.326 175.328 -0.237 0.000 1.201 1030 H CA -0.410 55.445 56.048 -0.322 0.000 1.102 1030 H CB -0.231 29.295 29.762 -0.393 0.000 1.656 1030 H HN 0.732 nan 8.280 nan 0.000 0.662 1031 W N 2.802 124.104 121.300 0.003 0.000 2.389 1031 W HA -0.164 4.496 4.660 -0.001 0.000 0.267 1031 W C 1.825 178.409 176.519 0.108 0.000 1.219 1031 W CA 0.949 58.361 57.345 0.111 0.000 1.189 1031 W CB 0.029 29.545 29.460 0.094 0.000 1.129 1031 W HN 0.283 nan 8.180 nan 0.000 0.581 1032 N N 0.953 119.772 118.700 0.199 0.000 2.434 1032 N HA -0.059 4.681 4.740 -0.000 0.000 0.196 1032 N C 1.082 176.579 175.510 -0.022 0.000 1.183 1032 N CA 0.599 53.716 53.050 0.111 0.000 0.849 1032 N CB -0.762 37.762 38.487 0.062 0.000 0.992 1032 N HN 0.274 nan 8.380 nan 0.000 0.460 1033 I N -0.121 120.349 120.570 -0.168 0.000 2.335 1033 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 1033 I C 0.130 176.041 176.117 -0.343 0.000 1.129 1033 I CA 0.861 61.976 61.300 -0.307 0.000 1.402 1033 I CB -0.298 37.339 38.000 -0.605 0.000 1.069 1033 I HN -0.071 nan 8.210 nan 0.000 0.424 1034 F N 0.989 120.974 119.950 0.059 0.000 2.445 1034 F HA 0.135 4.662 4.527 -0.001 0.000 0.359 1034 F C 1.728 177.542 175.800 0.024 0.000 1.101 1034 F CA -0.228 57.828 58.000 0.095 0.000 1.177 1034 F CB -0.055 39.035 39.000 0.150 0.000 1.110 1034 F HN -0.006 nan 8.300 nan 0.000 0.522 1035 H N 0.553 119.754 119.070 0.218 0.000 2.428 1035 H HA -0.053 4.503 4.556 -0.000 0.000 0.296 1035 H C 1.535 176.944 175.328 0.134 0.000 1.062 1035 H CA 0.933 57.062 56.048 0.135 0.000 1.350 1035 H CB 0.106 29.922 29.762 0.090 0.000 1.403 1035 H HN 0.582 nan 8.280 nan 0.000 0.533 1036 S N 1.036 116.915 115.700 0.298 0.000 2.562 1036 S HA -0.061 4.409 4.470 -0.000 0.000 0.256 1036 S C 0.430 175.101 174.600 0.117 0.000 1.248 1036 S CA -0.747 57.549 58.200 0.160 0.000 0.988 1036 S CB 0.840 64.100 63.200 0.100 0.000 1.035 1036 S HN 0.192 nan 8.310 nan 0.000 0.548 1037 D N 0.952 121.375 120.400 0.038 0.000 2.317 1037 D HA 0.356 4.996 4.640 -0.000 0.000 0.252 1037 D C -1.818 174.454 176.300 -0.046 0.000 1.174 1037 D CA -2.246 51.757 54.000 0.005 0.000 0.866 1037 D CB 1.321 42.106 40.800 -0.024 0.000 1.127 1037 D HN 0.141 nan 8.370 nan 0.000 0.467 1038 P HA -0.045 nan 4.420 nan 0.000 0.221 1038 P C 1.492 178.657 177.300 -0.226 0.000 1.155 1038 P CA -0.054 63.043 63.100 -0.004 0.000 0.812 1038 P CB 0.326 32.141 31.700 0.191 0.000 0.801 1039 L N -0.825 120.283 121.223 -0.192 0.000 2.131 1039 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 1039 L C 1.830 178.561 176.870 -0.232 0.000 1.092 1039 L CA 1.781 56.473 54.840 -0.246 0.000 0.759 1039 L CB -1.182 40.787 42.059 -0.150 0.000 0.903 1039 L HN -0.082 nan 8.230 nan 0.000 0.435 1040 I N -1.083 119.377 120.570 -0.184 0.000 3.035 1040 I HA -0.042 4.128 4.170 -0.000 0.000 0.271 1040 I C 2.190 178.201 176.117 -0.176 0.000 1.190 1040 I CA 0.658 61.869 61.300 -0.148 0.000 1.472 1040 I CB -0.312 37.626 38.000 -0.104 0.000 1.116 1040 I HN 0.260 nan 8.210 nan 0.000 0.443 1041 E N 0.793 120.833 120.200 -0.267 0.000 2.268 1041 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 1041 E C 2.165 178.650 176.600 -0.191 0.000 0.995 1041 E CA 0.974 57.170 56.400 -0.340 0.000 0.836 1041 E CB -0.048 29.155 29.700 -0.829 0.000 0.763 1041 E HN 0.328 nan 8.360 nan 0.000 0.491 1042 K N -0.452 119.768 120.400 -0.300 0.000 2.137 1042 K HA -0.118 4.201 4.320 -0.000 0.000 0.202 1042 K C 1.803 178.386 176.600 -0.029 0.000 1.052 1042 K CA 0.610 56.727 56.287 -0.283 0.000 0.961 1042 K CB 0.124 32.139 32.500 -0.810 0.000 0.741 1042 K HN -0.036 nan 8.250 nan 0.000 0.452 1043 Q N 1.624 121.370 119.800 -0.091 0.000 2.077 1043 Q HA -0.161 4.178 4.340 -0.000 0.000 0.206 1043 Q C 1.842 177.831 176.000 -0.019 0.000 0.989 1043 Q CA 1.707 57.481 55.803 -0.048 0.000 0.853 1043 Q CB -0.212 28.489 28.738 -0.061 0.000 0.907 1043 Q HN 0.297 nan 8.270 nan 0.000 0.418 1044 K N -0.078 120.311 120.400 -0.019 0.000 2.044 1044 K HA -0.132 4.187 4.320 -0.000 0.000 0.210 1044 K C 2.163 178.786 176.600 0.038 0.000 1.049 1044 K CA 1.268 57.555 56.287 -0.000 0.000 0.927 1044 K CB -0.232 32.261 32.500 -0.010 0.000 0.713 1044 K HN 0.171 nan 8.250 nan 0.000 0.443 1045 L N 0.713 122.005 121.223 0.115 0.000 2.109 1045 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 1045 L C 2.231 179.095 176.870 -0.009 0.000 1.086 1045 L CA 1.026 55.966 54.840 0.167 0.000 0.760 1045 L CB -0.386 41.960 42.059 0.479 0.000 0.910 1045 L HN 0.144 nan 8.230 nan 0.000 0.437 1046 K N 0.669 121.014 120.400 -0.091 0.000 2.020 1046 K HA -0.268 4.051 4.320 -0.000 0.000 0.212 1046 K C 2.088 178.624 176.600 -0.107 0.000 1.050 1046 K CA 1.706 57.865 56.287 -0.213 0.000 0.929 1046 K CB -0.195 32.224 32.500 -0.136 0.000 0.714 1046 K HN 0.174 nan 8.250 nan 0.000 0.443 1047 K N 1.660 122.026 120.400 -0.056 0.000 1.977 1047 K HA -0.206 4.113 4.320 -0.000 0.000 0.218 1047 K C 2.068 178.642 176.600 -0.043 0.000 1.051 1047 K CA 1.784 58.045 56.287 -0.044 0.000 0.953 1047 K CB -0.039 32.441 32.500 -0.033 0.000 0.727 1047 K HN -0.046 nan 8.250 nan 0.000 0.445 1048 K N 0.228 120.615 120.400 -0.021 0.000 2.144 1048 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 1048 K C 2.163 178.754 176.600 -0.016 0.000 1.047 1048 K CA 1.684 57.965 56.287 -0.009 0.000 0.927 1048 K CB -0.277 32.238 32.500 0.026 0.000 0.716 1048 K HN 0.170 nan 8.250 nan 0.000 0.454 1049 L N 1.225 122.432 121.223 -0.027 0.000 2.093 1049 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 1049 L C 2.335 179.174 176.870 -0.052 0.000 1.085 1049 L CA 1.645 56.463 54.840 -0.036 0.000 0.755 1049 L CB -0.203 41.807 42.059 -0.081 0.000 0.904 1049 L HN 0.053 nan 8.230 nan 0.000 0.435 1050 K N -0.477 119.887 120.400 -0.060 0.000 2.021 1050 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 1050 K C 2.025 178.585 176.600 -0.066 0.000 1.047 1050 K CA 1.231 57.483 56.287 -0.058 0.000 0.943 1050 K CB -0.133 32.335 32.500 -0.053 0.000 0.725 1050 K HN 0.497 nan 8.250 nan 0.000 0.439 1051 E N -0.274 119.880 120.200 -0.078 0.000 2.118 1051 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 1051 E C 1.776 178.326 176.600 -0.083 0.000 0.992 1051 E CA 1.548 57.882 56.400 -0.109 0.000 0.804 1051 E CB -0.452 29.175 29.700 -0.122 0.000 0.741 1051 E HN 0.400 nan 8.360 nan 0.000 0.458 1052 G N 0.538 109.305 108.800 -0.054 0.000 2.471 1052 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.219 1052 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.219 1052 G C 1.430 176.310 174.900 -0.033 0.000 1.125 1052 G CA 0.825 45.904 45.100 -0.035 0.000 0.775 1052 G HN 0.168 nan 8.290 nan 0.000 0.548 1053 M N 0.338 119.913 119.600 -0.042 0.000 2.156 1053 M HA 0.260 4.739 4.480 -0.000 0.000 0.264 1053 M C 2.356 178.652 176.300 -0.007 0.000 1.067 1053 M CA 0.940 56.217 55.300 -0.038 0.000 1.131 1053 M CB -0.494 32.076 32.600 -0.050 0.000 1.368 1053 M HN 0.160 nan 8.290 nan 0.000 0.416 1054 L N -1.496 119.719 121.223 -0.013 0.000 2.046 1054 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 1054 L C 2.451 179.339 176.870 0.031 0.000 1.077 1054 L CA 1.374 56.221 54.840 0.011 0.000 0.747 1054 L CB -1.257 40.782 42.059 -0.033 0.000 0.896 1054 L HN 0.394 nan 8.230 nan 0.000 0.432 1055 S N 0.525 116.227 115.700 0.003 0.000 2.422 1055 S HA -0.281 4.189 4.470 -0.000 0.000 0.241 1055 S C 1.971 176.634 174.600 0.104 0.000 1.076 1055 S CA 2.041 60.260 58.200 0.032 0.000 1.066 1055 S CB -0.428 62.780 63.200 0.013 0.000 0.890 1055 S HN 0.497 nan 8.310 nan 0.000 0.465 1056 I N -0.279 120.351 120.570 0.099 0.000 2.716 1056 I HA 0.037 4.207 4.170 -0.000 0.000 0.259 1056 I C 2.005 178.284 176.117 0.270 0.000 1.172 1056 I CA 1.516 62.911 61.300 0.158 0.000 1.478 1056 I CB -1.083 36.959 38.000 0.071 0.000 1.104 1056 I HN 0.419 nan 8.210 nan 0.000 0.439 1057 M N 1.748 121.452 119.600 0.173 0.000 2.192 1057 M HA -0.264 4.216 4.480 -0.000 0.000 0.256 1057 M C 2.155 178.485 176.300 0.051 0.000 1.076 1057 M CA 2.439 57.801 55.300 0.103 0.000 1.075 1057 M CB -0.422 32.221 32.600 0.070 0.000 1.368 1057 M HN 0.378 nan 8.290 nan 0.000 0.406 1058 S N -0.971 114.780 115.700 0.085 0.000 2.400 1058 S HA -0.176 4.294 4.470 -0.000 0.000 0.232 1058 S C 1.267 175.769 174.600 -0.164 0.000 1.025 1058 S CA 1.349 59.499 58.200 -0.084 0.000 0.993 1058 S CB -0.812 62.281 63.200 -0.179 0.000 0.808 1058 S HN 0.620 nan 8.310 nan 0.000 0.478 1059 Y N 1.112 121.394 120.300 -0.031 0.000 2.471 1059 Y HA 0.325 4.875 4.550 -0.001 0.000 0.286 1059 Y C 1.055 176.877 175.900 -0.129 0.000 1.188 1059 Y CA -0.527 57.553 58.100 -0.033 0.000 1.286 1059 Y CB -0.265 38.211 38.460 0.026 0.000 1.072 1059 Y HN 0.053 nan 8.280 nan 0.000 0.517 1060 R N 1.641 122.061 120.500 -0.133 0.000 2.234 1060 R HA 0.149 4.489 4.340 -0.000 0.000 0.324 1060 R C -0.304 175.741 176.300 -0.424 0.000 1.054 1060 R CA -0.277 55.496 56.100 -0.546 0.000 0.912 1060 R CB 0.302 30.188 30.300 -0.690 0.000 1.030 1060 R HN 0.168 nan 8.270 nan 0.000 0.455 1061 N N 1.427 119.860 118.700 -0.446 0.000 2.322 1061 N HA 0.110 4.849 4.740 -0.000 0.000 0.270 1061 N C 0.778 176.044 175.510 -0.406 0.000 1.286 1061 N CA 0.451 53.297 53.050 -0.340 0.000 0.948 1061 N CB 0.563 38.888 38.487 -0.269 0.000 1.164 1061 N HN 0.669 nan 8.380 nan 0.000 0.551 1062 A N -0.213 122.421 122.820 -0.309 0.000 1.929 1062 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 1062 A C 1.000 178.346 177.584 -0.397 0.000 1.176 1062 A CA 1.602 53.441 52.037 -0.330 0.000 0.628 1062 A CB -0.523 18.366 19.000 -0.186 0.000 0.816 1062 A HN 0.776 nan 8.150 nan 0.000 0.444 1063 D N -3.715 116.535 120.400 -0.251 0.000 2.349 1063 D HA 0.040 4.679 4.640 -0.000 0.000 0.224 1063 D C 0.140 176.430 176.300 -0.015 0.000 1.029 1063 D CA 0.224 54.183 54.000 -0.068 0.000 0.879 1063 D CB -0.445 40.406 40.800 0.084 0.000 0.906 1063 D HN 0.485 nan 8.370 nan 0.000 0.528 1064 Y N -0.759 119.407 120.300 -0.223 0.000 4.866 1064 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 1064 Y C 0.484 176.147 175.900 -0.394 0.000 0.899 1064 Y CA 0.466 58.411 58.100 -0.257 0.000 1.720 1064 Y CB -2.294 36.119 38.460 -0.078 0.000 1.107 1064 Y HN 0.218 nan 8.280 nan 0.000 0.460 1065 S N 1.019 116.387 115.700 -0.554 0.000 2.505 1065 S HA 0.528 4.998 4.470 -0.000 0.000 0.276 1065 S C -0.161 174.108 174.600 -0.551 0.000 1.274 1065 S CA -0.632 57.020 58.200 -0.914 0.000 1.053 1065 S CB 0.413 62.451 63.200 -1.935 0.000 0.919 1065 S HN 0.164 nan 8.310 nan 0.000 0.490 1066 Y N 2.113 122.166 120.300 -0.412 0.000 2.281 1066 Y HA 0.591 5.141 4.550 -0.001 0.000 0.337 1066 Y C 1.161 176.924 175.900 -0.229 0.000 1.304 1066 Y CA -0.859 57.104 58.100 -0.228 0.000 1.465 1066 Y CB 0.737 39.114 38.460 -0.138 0.000 1.350 1066 Y HN 0.750 nan 8.280 nan 0.000 0.575 1067 S N -0.237 115.492 115.700 0.048 0.000 2.572 1067 S HA 0.263 4.733 4.470 -0.000 0.000 0.274 1067 S C 0.332 174.932 174.600 0.001 0.000 1.150 1067 S CA -0.595 57.599 58.200 -0.009 0.000 0.944 1067 S CB 1.369 64.563 63.200 -0.009 0.000 1.071 1067 S HN 0.664 nan 8.310 nan 0.000 0.479 1068 V N 5.427 125.209 119.914 -0.219 0.000 2.223 1068 V HA -0.097 4.022 4.120 -0.000 0.000 0.253 1068 V C 0.296 176.155 176.094 -0.391 0.000 1.061 1068 V CA 1.867 63.829 62.300 -0.563 0.000 1.035 1068 V CB -0.247 30.853 31.823 -1.205 0.000 0.653 1068 V HN 0.764 nan 8.190 nan 0.000 0.454 1069 W N -1.150 120.231 121.300 0.134 0.000 2.703 1069 W HA 0.490 5.150 4.660 -0.000 0.000 0.359 1069 W C 0.111 176.695 176.519 0.108 0.000 1.168 1069 W CA -1.176 56.319 57.345 0.249 0.000 1.177 1069 W CB 0.507 30.043 29.460 0.126 0.000 1.434 1069 W HN -0.055 nan 8.180 nan 0.000 0.618 1070 K N 0.763 121.260 120.400 0.162 0.000 2.419 1070 K HA 0.190 4.509 4.320 -0.000 0.000 0.282 1070 K C 0.859 177.469 176.600 0.016 0.000 1.056 1070 K CA 1.186 57.400 56.287 -0.121 0.000 1.035 1070 K CB 0.030 32.361 32.500 -0.282 0.000 0.921 1070 K HN 0.833 nan 8.250 nan 0.000 0.472 1071 G N 2.581 111.379 108.800 -0.003 0.000 2.179 1071 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 1071 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 1071 G C 0.458 175.403 174.900 0.075 0.000 0.977 1071 G CA -0.014 45.098 45.100 0.019 0.000 0.641 1071 G HN 0.820 nan 8.290 nan 0.000 0.533 1072 G N 0.552 109.435 108.800 0.139 0.000 2.432 1072 G HA2 0.601 4.561 3.960 -0.000 0.000 0.257 1072 G HA3 0.601 4.561 3.960 -0.000 0.000 0.257 1072 G C 0.677 175.659 174.900 0.136 0.000 1.238 1072 G CA 0.774 45.995 45.100 0.202 0.000 0.838 1072 G HN 1.427 nan 8.290 nan 0.000 0.547 1073 S N 0.810 116.596 115.700 0.144 0.000 2.554 1073 S HA 0.321 4.791 4.470 -0.000 0.000 0.290 1073 S C 0.895 175.559 174.600 0.106 0.000 1.309 1073 S CA -0.105 58.171 58.200 0.126 0.000 1.047 1073 S CB 0.757 64.045 63.200 0.148 0.000 0.828 1073 S HN 1.398 nan 8.310 nan 0.000 0.509 1074 A N 2.364 125.243 122.820 0.098 0.000 2.567 1074 A HA 0.407 4.727 4.320 -0.000 0.000 0.240 1074 A C 0.776 178.417 177.584 0.094 0.000 1.053 1074 A CA 0.113 52.165 52.037 0.025 0.000 0.755 1074 A CB -0.328 18.698 19.000 0.044 0.000 0.978 1074 A HN 1.338 nan 8.150 nan 0.000 0.507 1075 S N 2.151 117.862 115.700 0.019 0.000 2.437 1075 S HA 0.338 4.808 4.470 -0.000 0.000 0.305 1075 S C 0.910 175.597 174.600 0.145 0.000 1.109 1075 S CA 0.153 58.403 58.200 0.084 0.000 1.099 1075 S CB 1.347 64.542 63.200 -0.010 0.000 1.004 1075 S HN 0.687 nan 8.310 nan 0.000 0.475 1076 T N 3.209 117.904 114.554 0.235 0.000 2.833 1076 T HA -0.087 4.262 4.350 -0.000 0.000 0.269 1076 T C 1.103 175.938 174.700 0.225 0.000 1.054 1076 T CA 1.809 64.085 62.100 0.293 0.000 1.135 1076 T CB -0.413 68.543 68.868 0.146 0.000 0.869 1076 T HN 0.831 nan 8.240 nan 0.000 0.466 1077 W N 0.902 122.178 121.300 -0.040 0.000 2.380 1077 W HA 0.028 4.687 4.660 -0.001 0.000 0.317 1077 W C 1.973 178.364 176.519 -0.213 0.000 1.196 1077 W CA 0.817 58.029 57.345 -0.222 0.000 1.307 1077 W CB -0.717 28.621 29.460 -0.203 0.000 1.157 1077 W HN 0.196 nan 8.180 nan 0.000 0.483 1078 L N 0.139 121.349 121.223 -0.021 0.000 2.141 1078 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 1078 L C 2.352 179.138 176.870 -0.141 0.000 1.094 1078 L CA 2.018 56.760 54.840 -0.163 0.000 0.763 1078 L CB -0.825 41.179 42.059 -0.092 0.000 0.908 1078 L HN -0.084 nan 8.230 nan 0.000 0.437 1079 T N -0.176 114.332 114.554 -0.078 0.000 2.684 1079 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 1079 T C 1.886 176.530 174.700 -0.094 0.000 1.036 1079 T CA 1.375 63.431 62.100 -0.075 0.000 1.148 1079 T CB -0.435 68.421 68.868 -0.020 0.000 0.863 1079 T HN 0.554 nan 8.240 nan 0.000 0.436 1080 A N 1.371 124.166 122.820 -0.043 0.000 1.841 1080 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 1080 A C 2.028 179.595 177.584 -0.029 0.000 1.199 1080 A CA 1.746 53.779 52.037 -0.008 0.000 0.621 1080 A CB -1.263 17.752 19.000 0.025 0.000 0.835 1080 A HN 0.471 nan 8.150 nan 0.000 0.445 1081 F N 0.930 120.771 119.950 -0.183 0.000 2.192 1081 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 1081 F C 2.433 178.080 175.800 -0.256 0.000 1.079 1081 F CA 1.160 59.059 58.000 -0.168 0.000 1.303 1081 F CB -0.275 38.501 39.000 -0.372 0.000 1.024 1081 F HN 0.264 nan 8.300 nan 0.000 0.494 1082 A N 0.551 123.208 122.820 -0.271 0.000 1.841 1082 A HA -0.107 4.213 4.320 -0.000 0.000 0.214 1082 A C 2.244 179.529 177.584 -0.499 0.000 1.195 1082 A CA 1.610 53.349 52.037 -0.496 0.000 0.611 1082 A CB -1.189 17.280 19.000 -0.884 0.000 0.835 1082 A HN 0.426 nan 8.150 nan 0.000 0.443 1083 L N -0.644 120.335 121.223 -0.406 0.000 1.976 1083 L HA -0.355 3.984 4.340 -0.000 0.000 0.223 1083 L C 2.783 179.488 176.870 -0.275 0.000 1.081 1083 L CA 2.417 57.097 54.840 -0.267 0.000 0.784 1083 L CB -0.611 41.364 42.059 -0.140 0.000 0.896 1083 L HN 0.602 nan 8.230 nan 0.000 0.438 1084 R N 0.030 120.365 120.500 -0.276 0.000 2.133 1084 R HA -0.212 4.128 4.340 -0.000 0.000 0.245 1084 R C 1.876 177.925 176.300 -0.417 0.000 1.137 1084 R CA 2.600 58.513 56.100 -0.312 0.000 0.947 1084 R CB -0.939 29.154 30.300 -0.346 0.000 0.865 1084 R HN 0.226 nan 8.270 nan 0.000 0.437 1085 V N 0.692 120.266 119.914 -0.567 0.000 2.667 1085 V HA -0.117 4.003 4.120 -0.000 0.000 0.252 1085 V C 2.316 178.111 176.094 -0.499 0.000 1.065 1085 V CA 1.014 62.973 62.300 -0.568 0.000 1.083 1085 V CB -0.377 31.085 31.823 -0.602 0.000 0.692 1085 V HN 0.302 nan 8.190 nan 0.000 0.468 1086 L N 0.754 121.734 121.223 -0.406 0.000 2.044 1086 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 1086 L C 2.628 179.305 176.870 -0.322 0.000 1.075 1086 L CA 2.365 57.011 54.840 -0.324 0.000 0.747 1086 L CB -1.820 40.085 42.059 -0.256 0.000 0.903 1086 L HN 0.419 nan 8.230 nan 0.000 0.435 1087 G N -0.673 107.951 108.800 -0.294 0.000 2.459 1087 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 1087 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 1087 G C 1.416 176.119 174.900 -0.328 0.000 1.183 1087 G CA 0.543 45.495 45.100 -0.245 0.000 0.776 1087 G HN 0.442 nan 8.290 nan 0.000 0.552 1088 Q N -0.241 119.294 119.800 -0.442 0.000 2.082 1088 Q HA -0.159 4.180 4.340 -0.000 0.000 0.211 1088 Q C 2.688 178.074 176.000 -1.024 0.000 1.002 1088 Q CA 1.969 57.335 55.803 -0.728 0.000 0.868 1088 Q CB -0.473 27.674 28.738 -0.985 0.000 0.931 1088 Q HN 0.446 nan 8.270 nan 0.000 0.414 1089 V N 1.328 120.702 119.914 -0.899 0.000 3.306 1089 V HA -0.092 4.027 4.120 -0.000 0.000 0.264 1089 V C 1.772 177.685 176.094 -0.302 0.000 1.149 1089 V CA 0.947 62.875 62.300 -0.620 0.000 1.143 1089 V CB -0.545 31.005 31.823 -0.455 0.000 0.767 1089 V HN 0.351 nan 8.190 nan 0.000 0.476 1090 N N 1.211 119.732 118.700 -0.298 0.000 2.289 1090 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 1090 N C 1.765 177.160 175.510 -0.192 0.000 1.016 1090 N CA 1.217 54.149 53.050 -0.196 0.000 0.872 1090 N CB -0.078 38.304 38.487 -0.176 0.000 0.973 1090 N HN 0.432 nan 8.380 nan 0.000 0.433 1091 K N -0.568 119.649 120.400 -0.305 0.000 2.034 1091 K HA -0.191 4.129 4.320 -0.000 0.000 0.214 1091 K C 1.188 177.585 176.600 -0.338 0.000 1.051 1091 K CA 1.654 57.681 56.287 -0.433 0.000 0.931 1091 K CB -0.206 31.771 32.500 -0.871 0.000 0.715 1091 K HN 0.371 nan 8.250 nan 0.000 0.446 1092 Y N -1.163 119.212 120.300 0.125 0.000 2.481 1092 Y HA 0.170 4.719 4.550 -0.000 0.000 0.258 1092 Y C 0.274 176.151 175.900 -0.039 0.000 1.103 1092 Y CA -0.314 57.847 58.100 0.102 0.000 1.287 1092 Y CB 0.885 39.417 38.460 0.120 0.000 1.108 1092 Y HN -0.303 nan 8.280 nan 0.000 0.529 1093 V N 1.107 121.046 119.914 0.042 0.000 2.462 1093 V HA 0.143 4.263 4.120 -0.000 0.000 0.288 1093 V C -0.314 175.758 176.094 -0.037 0.000 1.020 1093 V CA -1.595 60.697 62.300 -0.012 0.000 0.857 1093 V CB 1.726 33.522 31.823 -0.045 0.000 1.013 1093 V HN 0.094 nan 8.190 nan 0.000 0.431 1094 E N 4.221 124.409 120.200 -0.021 0.000 2.465 1094 E HA 0.092 4.442 4.350 -0.000 0.000 0.260 1094 E C -0.500 176.077 176.600 -0.038 0.000 0.980 1094 E CA -0.077 56.303 56.400 -0.033 0.000 0.927 1094 E CB 0.633 30.324 29.700 -0.016 0.000 0.934 1094 E HN 0.556 nan 8.360 nan 0.000 0.459 1095 Q N 2.687 122.454 119.800 -0.054 0.000 2.248 1095 Q HA 0.171 4.510 4.340 -0.000 0.000 0.263 1095 Q C -0.498 175.482 176.000 -0.033 0.000 1.007 1095 Q CA -0.835 54.942 55.803 -0.043 0.000 0.877 1095 Q CB 0.986 29.687 28.738 -0.062 0.000 1.315 1095 Q HN 0.609 nan 8.270 nan 0.000 0.454 1096 N N 0.884 119.576 118.700 -0.013 0.000 2.440 1096 N HA -0.115 4.624 4.740 -0.000 0.000 0.265 1096 N C 0.952 176.438 175.510 -0.041 0.000 1.239 1096 N CA 0.286 53.328 53.050 -0.013 0.000 0.909 1096 N CB 0.708 39.204 38.487 0.015 0.000 1.066 1096 N HN 0.497 nan 8.380 nan 0.000 0.474 1097 Q N 3.595 123.363 119.800 -0.054 0.000 1.967 1097 Q HA -0.318 4.022 4.340 -0.000 0.000 0.202 1097 Q C 1.629 177.567 176.000 -0.104 0.000 0.985 1097 Q CA 1.471 57.227 55.803 -0.077 0.000 0.839 1097 Q CB -0.289 28.404 28.738 -0.075 0.000 0.906 1097 Q HN 0.850 nan 8.270 nan 0.000 0.423 1098 N N -0.171 118.463 118.700 -0.111 0.000 2.089 1098 N HA -0.268 4.472 4.740 -0.000 0.000 0.198 1098 N C 1.884 177.198 175.510 -0.328 0.000 1.017 1098 N CA 1.883 54.829 53.050 -0.173 0.000 0.880 1098 N CB -0.320 38.088 38.487 -0.132 0.000 1.042 1098 N HN 0.227 nan 8.380 nan 0.000 0.446 1099 S N 0.739 116.267 115.700 -0.287 0.000 2.378 1099 S HA -0.136 4.333 4.470 -0.000 0.000 0.221 1099 S C 2.166 176.636 174.600 -0.217 0.000 1.037 1099 S CA 1.383 59.377 58.200 -0.345 0.000 1.069 1099 S CB -0.474 62.753 63.200 0.045 0.000 1.006 1099 S HN 0.358 nan 8.310 nan 0.000 0.423 1100 I N 1.488 122.009 120.570 -0.081 0.000 2.315 1100 I HA -0.195 3.974 4.170 -0.000 0.000 0.251 1100 I C 2.684 178.770 176.117 -0.053 0.000 1.125 1100 I CA 0.904 62.182 61.300 -0.037 0.000 1.392 1100 I CB -1.762 36.204 38.000 -0.056 0.000 1.065 1100 I HN 0.490 nan 8.210 nan 0.000 0.424 1101 c N 0.942 119.478 118.600 -0.107 0.000 2.442 1101 c HA -0.162 4.408 4.570 -0.000 0.000 0.279 1101 c C 2.638 176.702 174.090 -0.043 0.000 1.237 1101 c CA 0.911 57.190 56.329 -0.082 0.000 1.722 1101 c CB -1.219 41.226 42.510 -0.107 0.000 2.056 1101 c HN 0.553 nan 8.230 nan 0.000 0.469 1102 N N 1.047 119.665 118.700 -0.136 0.000 2.223 1102 N HA -0.089 4.651 4.740 -0.000 0.000 0.185 1102 N C 1.864 177.464 175.510 0.149 0.000 1.016 1102 N CA 1.364 54.385 53.050 -0.049 0.000 0.863 1102 N CB -0.521 37.785 38.487 -0.301 0.000 0.983 1102 N HN 0.472 nan 8.380 nan 0.000 0.429 1103 S N 1.273 117.052 115.700 0.132 0.000 2.356 1103 S HA -0.023 4.446 4.470 -0.000 0.000 0.223 1103 S C 2.142 176.906 174.600 0.273 0.000 1.032 1103 S CA 0.674 59.026 58.200 0.252 0.000 1.005 1103 S CB -0.275 63.105 63.200 0.300 0.000 0.867 1103 S HN 0.246 nan 8.310 nan 0.000 0.449 1104 L N 0.828 122.160 121.223 0.182 0.000 1.994 1104 L HA -0.067 4.272 4.340 -0.000 0.000 0.208 1104 L C 2.114 179.128 176.870 0.240 0.000 1.071 1104 L CA 1.135 56.089 54.840 0.190 0.000 0.745 1104 L CB -0.483 41.644 42.059 0.114 0.000 0.892 1104 L HN 0.266 nan 8.230 nan 0.000 0.431 1105 L N -1.609 119.729 121.223 0.193 0.000 2.549 1105 L HA -0.236 4.104 4.340 -0.000 0.000 0.230 1105 L C 2.049 179.065 176.870 0.243 0.000 1.162 1105 L CA 0.904 55.849 54.840 0.176 0.000 0.834 1105 L CB -0.365 41.764 42.059 0.116 0.000 0.947 1105 L HN 0.431 nan 8.230 nan 0.000 0.452 1106 W N -0.069 121.307 121.300 0.127 0.000 2.480 1106 W HA -0.053 4.607 4.660 -0.000 0.000 0.299 1106 W C 1.993 178.629 176.519 0.194 0.000 1.187 1106 W CA 0.655 58.093 57.345 0.154 0.000 1.347 1106 W CB -0.062 29.489 29.460 0.151 0.000 1.121 1106 W HN -0.080 nan 8.180 nan 0.000 0.533 1107 L N 0.269 121.725 121.223 0.388 0.000 1.994 1107 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 1107 L C 2.542 179.439 176.870 0.044 0.000 1.071 1107 L CA 1.936 56.913 54.840 0.228 0.000 0.745 1107 L CB -1.758 40.629 42.059 0.546 0.000 0.892 1107 L HN 0.056 nan 8.230 nan 0.000 0.431 1108 V N -0.781 119.215 119.914 0.137 0.000 2.548 1108 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 1108 V C 2.170 178.200 176.094 -0.108 0.000 1.055 1108 V CA 1.733 64.044 62.300 0.019 0.000 1.065 1108 V CB -0.193 31.730 31.823 0.166 0.000 0.681 1108 V HN 0.555 nan 8.190 nan 0.000 0.462 1109 E N 0.077 120.236 120.200 -0.068 0.000 2.230 1109 E HA -0.079 4.270 4.350 -0.000 0.000 0.192 1109 E C 1.565 178.046 176.600 -0.198 0.000 0.987 1109 E CA 1.418 57.758 56.400 -0.100 0.000 0.841 1109 E CB -0.022 29.655 29.700 -0.037 0.000 0.783 1109 E HN 0.764 nan 8.360 nan 0.000 0.481 1110 N N -1.079 117.455 118.700 -0.277 0.000 2.397 1110 N HA 0.042 4.782 4.740 -0.000 0.000 0.190 1110 N C 0.070 175.115 175.510 -0.776 0.000 1.099 1110 N CA 0.215 52.975 53.050 -0.484 0.000 0.876 1110 N CB 0.563 38.749 38.487 -0.500 0.000 1.143 1110 N HN 0.027 nan 8.380 nan 0.000 0.468 1111 Y N 0.657 120.643 120.300 -0.524 0.000 2.698 1111 Y HA 0.359 4.909 4.550 -0.000 0.000 0.261 1111 Y C -0.416 175.003 175.900 -0.802 0.000 1.104 1111 Y CA -0.539 57.247 58.100 -0.523 0.000 1.145 1111 Y CB 0.621 38.803 38.460 -0.463 0.000 1.191 1111 Y HN -0.070 nan 8.280 nan 0.000 0.564 1112 Q N 1.517 120.881 119.800 -0.727 0.000 2.320 1112 Q HA 0.471 4.811 4.340 -0.000 0.000 0.268 1112 Q C -1.186 174.577 176.000 -0.395 0.000 1.023 1112 Q CA -0.580 54.727 55.803 -0.827 0.000 0.744 1112 Q CB 1.187 29.397 28.738 -0.881 0.000 1.246 1112 Q HN 0.393 nan 8.270 nan 0.000 0.462 1113 L N 2.114 123.167 121.223 -0.283 0.000 2.476 1113 L HA 0.081 4.420 4.340 -0.000 0.000 0.264 1113 L C 0.813 177.603 176.870 -0.133 0.000 1.224 1113 L CA -0.129 54.600 54.840 -0.185 0.000 0.821 1113 L CB 0.399 42.370 42.059 -0.148 0.000 1.101 1113 L HN 0.674 nan 8.230 nan 0.000 0.488 1114 D N 0.720 121.065 120.400 -0.092 0.000 2.490 1114 D HA -0.050 4.590 4.640 -0.000 0.000 0.255 1114 D C 0.748 177.038 176.300 -0.016 0.000 1.248 1114 D CA 0.504 54.472 54.000 -0.053 0.000 0.887 1114 D CB -0.289 40.486 40.800 -0.042 0.000 0.978 1114 D HN 0.645 nan 8.370 nan 0.000 0.491 1115 N N -2.763 115.925 118.700 -0.018 0.000 2.113 1115 N HA 0.114 4.854 4.740 -0.000 0.000 0.223 1115 N C 1.320 176.868 175.510 0.063 0.000 1.310 1115 N CA 0.179 53.260 53.050 0.052 0.000 0.896 1115 N CB 1.174 39.722 38.487 0.102 0.000 1.097 1115 N HN -0.006 nan 8.380 nan 0.000 0.507 1116 G N 1.229 110.020 108.800 -0.015 0.000 2.194 1116 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.236 1116 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.236 1116 G C 0.144 175.042 174.900 -0.004 0.000 0.987 1116 G CA 0.290 45.411 45.100 0.034 0.000 0.635 1116 G HN 0.719 nan 8.290 nan 0.000 0.520 1117 S N -0.172 115.336 115.700 -0.320 0.000 2.632 1117 S HA 0.760 5.229 4.470 -0.000 0.000 0.267 1117 S C -0.272 174.336 174.600 0.014 0.000 1.276 1117 S CA -0.484 57.454 58.200 -0.437 0.000 0.998 1117 S CB 1.310 63.788 63.200 -1.202 0.000 0.953 1117 S HN 0.467 nan 8.310 nan 0.000 0.547 1118 F N 1.227 121.074 119.950 -0.171 0.000 2.436 1118 F HA 0.460 4.987 4.527 -0.001 0.000 0.340 1118 F C 0.554 176.365 175.800 0.017 0.000 1.113 1118 F CA -1.148 56.830 58.000 -0.036 0.000 1.022 1118 F CB 1.843 40.858 39.000 0.024 0.000 1.128 1118 F HN 0.669 nan 8.300 nan 0.000 0.466 1119 K N 1.088 121.565 120.400 0.130 0.000 2.143 1119 K HA 0.518 4.837 4.320 -0.000 0.000 0.272 1119 K C -0.546 176.221 176.600 0.278 0.000 1.001 1119 K CA -0.903 55.482 56.287 0.163 0.000 0.915 1119 K CB 1.589 34.135 32.500 0.077 0.000 1.047 1119 K HN 0.378 nan 8.250 nan 0.000 0.458 1120 E N 1.629 121.970 120.200 0.236 0.000 2.331 1120 E HA 0.018 4.368 4.350 -0.000 0.000 0.272 1120 E C 0.013 176.767 176.600 0.257 0.000 1.036 1120 E CA -0.149 56.392 56.400 0.237 0.000 0.864 1120 E CB 1.291 31.118 29.700 0.212 0.000 1.035 1120 E HN 0.760 nan 8.360 nan 0.000 0.408 1121 N N 2.214 121.062 118.700 0.246 0.000 2.255 1121 N HA -0.058 4.681 4.740 -0.000 0.000 0.192 1121 N C 0.166 175.812 175.510 0.226 0.000 1.049 1121 N CA 1.179 54.419 53.050 0.316 0.000 0.886 1121 N CB -0.214 38.437 38.487 0.274 0.000 1.064 1121 N HN 0.482 nan 8.380 nan 0.000 0.457 1122 S N -0.454 115.366 115.700 0.200 0.000 2.617 1122 S HA 0.007 4.477 4.470 -0.000 0.000 0.255 1122 S C 0.830 175.535 174.600 0.174 0.000 1.318 1122 S CA -0.204 58.106 58.200 0.183 0.000 0.978 1122 S CB 0.328 63.637 63.200 0.182 0.000 0.961 1122 S HN 0.448 nan 8.310 nan 0.000 0.582 1123 Q N -0.999 118.904 119.800 0.172 0.000 2.451 1123 Q HA 0.058 4.398 4.340 -0.000 0.000 0.206 1123 Q C -0.505 175.579 176.000 0.139 0.000 0.947 1123 Q CA -0.006 55.879 55.803 0.137 0.000 0.937 1123 Q CB -0.179 28.626 28.738 0.112 0.000 1.025 1123 Q HN 0.753 nan 8.270 nan 0.000 0.511 1124 Y N 3.279 123.603 120.300 0.041 0.000 2.815 1124 Y HA -0.155 4.395 4.550 -0.001 0.000 0.346 1124 Y C -0.033 175.816 175.900 -0.085 0.000 1.267 1124 Y CA 0.369 58.450 58.100 -0.032 0.000 1.604 1124 Y CB 0.276 38.644 38.460 -0.152 0.000 1.218 1124 Y HN -0.008 nan 8.280 nan 0.000 0.527 1125 Q N 9.126 128.654 119.800 -0.454 0.000 2.322 1125 Q HA 0.167 4.506 4.340 -0.000 0.000 0.256 1125 Q C -1.952 173.583 176.000 -0.774 0.000 0.960 1125 Q CA -1.802 53.743 55.803 -0.430 0.000 0.934 1125 Q CB 1.562 30.142 28.738 -0.264 0.000 1.200 1125 Q HN 0.544 nan 8.270 nan 0.000 0.435 1126 P HA 0.022 nan 4.420 nan 0.000 0.214 1126 P C 0.051 177.229 177.300 -0.203 0.000 1.152 1126 P CA 0.489 63.264 63.100 -0.542 0.000 0.874 1126 P CB 0.322 31.478 31.700 -0.908 0.000 0.782 1127 I N -2.623 117.749 120.570 -0.330 0.000 2.750 1127 I HA 0.638 4.807 4.170 -0.000 0.000 0.308 1127 I C -0.132 175.809 176.117 -0.293 0.000 1.016 1127 I CA -2.373 58.730 61.300 -0.328 0.000 1.098 1127 I CB 0.562 38.218 38.000 -0.572 0.000 1.279 1127 I HN -0.320 nan 8.210 nan 0.000 0.454 1128 K N 4.041 124.290 120.400 -0.251 0.000 2.263 1128 K HA 0.685 5.005 4.320 -0.000 0.000 0.272 1128 K C -1.380 175.101 176.600 -0.199 0.000 1.033 1128 K CA -0.200 55.977 56.287 -0.184 0.000 0.884 1128 K CB 0.418 32.835 32.500 -0.138 0.000 1.107 1128 K HN 0.743 nan 8.250 nan 0.000 0.460 1129 L N 3.325 124.451 121.223 -0.162 0.000 2.387 1129 L HA 0.408 4.748 4.340 -0.000 0.000 0.266 1129 L C 0.458 177.292 176.870 -0.060 0.000 1.059 1129 L CA -1.210 53.549 54.840 -0.135 0.000 0.801 1129 L CB 1.432 43.439 42.059 -0.086 0.000 1.223 1129 L HN 0.636 nan 8.230 nan 0.000 0.456 1130 Q N 0.293 120.073 119.800 -0.034 0.000 2.317 1130 Q HA 0.680 5.020 4.340 -0.000 0.000 0.229 1130 Q C 0.033 176.037 176.000 0.007 0.000 0.984 1130 Q CA -0.421 55.374 55.803 -0.013 0.000 0.911 1130 Q CB 1.485 30.221 28.738 -0.003 0.000 1.217 1130 Q HN 0.840 nan 8.270 nan 0.000 0.501 1131 G N 0.103 108.903 108.800 -0.001 0.000 2.369 1131 G HA2 0.016 3.976 3.960 -0.000 0.000 0.307 1131 G HA3 0.016 3.976 3.960 -0.000 0.000 0.307 1131 G C -0.958 173.944 174.900 0.003 0.000 1.327 1131 G CA -0.903 44.203 45.100 0.011 0.000 0.963 1131 G HN 0.513 nan 8.290 nan 0.000 0.590 1132 T N 0.574 115.134 114.554 0.010 0.000 2.849 1132 T HA 0.424 4.773 4.350 -0.000 0.000 0.284 1132 T C 1.897 176.606 174.700 0.016 0.000 1.004 1132 T CA -0.226 61.879 62.100 0.008 0.000 1.021 1132 T CB 1.287 70.162 68.868 0.011 0.000 1.013 1132 T HN 0.525 nan 8.240 nan 0.000 0.527 1133 L N 1.860 123.091 121.223 0.014 0.000 2.089 1133 L HA -0.054 4.286 4.340 -0.000 0.000 0.213 1133 L C -0.645 176.242 176.870 0.029 0.000 1.079 1133 L CA 2.137 56.989 54.840 0.020 0.000 0.758 1133 L CB -1.591 40.479 42.059 0.018 0.000 0.891 1133 L HN 0.589 nan 8.230 nan 0.000 0.433 1134 P HA -0.046 nan 4.420 nan 0.000 0.213 1134 P C 2.080 179.410 177.300 0.050 0.000 1.169 1134 P CA 0.690 63.814 63.100 0.040 0.000 0.885 1134 P CB 0.074 31.795 31.700 0.035 0.000 0.779 1135 V N 0.667 120.609 119.914 0.046 0.000 2.222 1135 V HA -0.359 3.761 4.120 -0.000 0.000 0.252 1135 V C 2.524 178.657 176.094 0.066 0.000 1.060 1135 V CA 2.547 64.881 62.300 0.056 0.000 1.027 1135 V CB -1.214 30.637 31.823 0.047 0.000 0.644 1135 V HN 0.232 nan 8.190 nan 0.000 0.448 1136 E N -0.035 120.196 120.200 0.052 0.000 2.082 1136 E HA -0.352 3.998 4.350 -0.000 0.000 0.215 1136 E C 2.149 178.794 176.600 0.074 0.000 1.048 1136 E CA 2.295 58.727 56.400 0.052 0.000 0.869 1136 E CB -0.520 29.199 29.700 0.031 0.000 0.773 1136 E HN 0.557 nan 8.360 nan 0.000 0.466 1137 A N 0.803 123.665 122.820 0.070 0.000 1.917 1137 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 1137 A C 2.212 179.866 177.584 0.117 0.000 1.182 1137 A CA 2.101 54.189 52.037 0.085 0.000 0.633 1137 A CB -0.792 18.251 19.000 0.071 0.000 0.819 1137 A HN 0.375 nan 8.150 nan 0.000 0.448 1138 R N -0.531 120.038 120.500 0.115 0.000 2.096 1138 R HA -0.168 4.172 4.340 -0.000 0.000 0.229 1138 R C 2.205 178.610 176.300 0.176 0.000 1.134 1138 R CA 1.787 57.974 56.100 0.146 0.000 0.917 1138 R CB -0.367 30.002 30.300 0.114 0.000 0.832 1138 R HN 0.501 nan 8.270 nan 0.000 0.430 1139 E N 0.533 120.824 120.200 0.152 0.000 2.068 1139 E HA -0.322 4.028 4.350 -0.000 0.000 0.207 1139 E C 1.797 178.534 176.600 0.229 0.000 1.032 1139 E CA 1.877 58.383 56.400 0.178 0.000 0.839 1139 E CB -0.765 29.019 29.700 0.141 0.000 0.758 1139 E HN 0.525 nan 8.360 nan 0.000 0.457 1140 N N 0.007 118.818 118.700 0.185 0.000 2.091 1140 N HA -0.208 4.531 4.740 -0.000 0.000 0.193 1140 N C 2.043 177.721 175.510 0.281 0.000 1.021 1140 N CA 1.478 54.651 53.050 0.204 0.000 0.862 1140 N CB -0.041 38.521 38.487 0.126 0.000 1.018 1140 N HN -0.021 nan 8.380 nan 0.000 0.429 1141 S N 0.492 116.335 115.700 0.239 0.000 2.353 1141 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 1141 S C 1.999 176.780 174.600 0.302 0.000 1.035 1141 S CA 0.882 59.224 58.200 0.238 0.000 1.025 1141 S CB -0.467 62.859 63.200 0.210 0.000 0.902 1141 S HN 0.366 nan 8.310 nan 0.000 0.440 1142 L N 0.014 121.458 121.223 0.368 0.000 1.963 1142 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 1142 L C 2.344 179.398 176.870 0.307 0.000 1.076 1142 L CA 2.476 57.542 54.840 0.376 0.000 0.772 1142 L CB -0.709 41.515 42.059 0.275 0.000 0.892 1142 L HN 0.575 nan 8.230 nan 0.000 0.435 1143 Y N -0.335 120.109 120.300 0.239 0.000 2.102 1143 Y HA -0.367 4.183 4.550 -0.000 0.000 0.280 1143 Y C 2.261 178.356 175.900 0.325 0.000 1.178 1143 Y CA 2.105 60.374 58.100 0.281 0.000 1.146 1143 Y CB -0.261 38.407 38.460 0.347 0.000 0.968 1143 Y HN 0.178 nan 8.280 nan 0.000 0.504 1144 L N -0.261 121.163 121.223 0.336 0.000 1.988 1144 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 1144 L C 2.441 179.380 176.870 0.115 0.000 1.071 1144 L CA 2.679 57.659 54.840 0.234 0.000 0.744 1144 L CB -1.172 41.062 42.059 0.292 0.000 0.893 1144 L HN 0.291 nan 8.230 nan 0.000 0.433 1145 T N -0.007 114.619 114.554 0.121 0.000 2.699 1145 T HA -0.267 4.082 4.350 -0.000 0.000 0.268 1145 T C 1.869 176.549 174.700 -0.034 0.000 1.036 1145 T CA 1.499 63.612 62.100 0.021 0.000 1.147 1145 T CB -0.705 68.204 68.868 0.068 0.000 0.862 1145 T HN 0.534 nan 8.240 nan 0.000 0.446 1146 A N 1.046 123.879 122.820 0.022 0.000 1.865 1146 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 1146 A C 2.046 179.586 177.584 -0.073 0.000 1.191 1146 A CA 1.670 53.678 52.037 -0.048 0.000 0.623 1146 A CB -1.210 17.740 19.000 -0.082 0.000 0.826 1146 A HN 0.520 nan 8.150 nan 0.000 0.444 1147 F N 0.665 120.461 119.950 -0.256 0.000 2.043 1147 F HA -0.250 4.277 4.527 -0.001 0.000 0.297 1147 F C 2.833 178.519 175.800 -0.191 0.000 1.121 1147 F CA 2.384 60.244 58.000 -0.233 0.000 1.199 1147 F CB -0.297 38.519 39.000 -0.308 0.000 0.968 1147 F HN 0.306 nan 8.300 nan 0.000 0.478 1148 T N -0.866 113.785 114.554 0.162 0.000 2.929 1148 T HA -0.125 4.225 4.350 -0.000 0.000 0.271 1148 T C 1.821 176.381 174.700 -0.233 0.000 1.085 1148 T CA 1.367 63.429 62.100 -0.064 0.000 1.125 1148 T CB -0.683 68.051 68.868 -0.222 0.000 0.874 1148 T HN 0.142 nan 8.240 nan 0.000 0.494 1149 V N 2.013 121.784 119.914 -0.238 0.000 2.229 1149 V HA -0.081 4.039 4.120 -0.000 0.000 0.243 1149 V C 2.603 178.611 176.094 -0.144 0.000 1.042 1149 V CA 2.027 64.196 62.300 -0.219 0.000 1.000 1149 V CB -0.576 31.133 31.823 -0.189 0.000 0.637 1149 V HN 0.583 nan 8.190 nan 0.000 0.446 1150 I N 0.735 121.230 120.570 -0.125 0.000 2.227 1150 I HA -0.301 3.869 4.170 -0.000 0.000 0.250 1150 I C 2.422 178.490 176.117 -0.082 0.000 1.087 1150 I CA 1.934 63.171 61.300 -0.106 0.000 1.352 1150 I CB -1.413 36.550 38.000 -0.062 0.000 1.043 1150 I HN 0.461 nan 8.210 nan 0.000 0.425 1151 G N 1.691 110.457 108.800 -0.058 0.000 2.424 1151 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 1151 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 1151 G C 1.673 176.546 174.900 -0.044 0.000 1.202 1151 G CA 0.626 45.696 45.100 -0.051 0.000 0.793 1151 G HN 0.343 nan 8.290 nan 0.000 0.534 1152 I N 0.242 120.794 120.570 -0.030 0.000 2.179 1152 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 1152 I C 3.009 179.155 176.117 0.048 0.000 1.088 1152 I CA 0.779 62.096 61.300 0.027 0.000 1.357 1152 I CB -0.218 37.796 38.000 0.024 0.000 1.051 1152 I HN -0.032 nan 8.210 nan 0.000 0.409 1153 R N 1.171 121.651 120.500 -0.034 0.000 2.112 1153 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 1153 R C 2.191 178.483 176.300 -0.013 0.000 1.137 1153 R CA 1.400 57.465 56.100 -0.058 0.000 0.944 1153 R CB -0.764 29.454 30.300 -0.136 0.000 0.857 1153 R HN 0.327 nan 8.270 nan 0.000 0.435 1154 K N -0.225 120.150 120.400 -0.040 0.000 2.209 1154 K HA -0.027 4.292 4.320 -0.000 0.000 0.204 1154 K C 1.586 178.157 176.600 -0.049 0.000 1.048 1154 K CA 1.354 57.611 56.287 -0.050 0.000 0.940 1154 K CB 0.112 32.560 32.500 -0.085 0.000 0.729 1154 K HN 0.198 nan 8.250 nan 0.000 0.451 1155 A N -0.681 122.124 122.820 -0.026 0.000 2.419 1155 A HA 0.080 4.399 4.320 -0.000 0.000 0.233 1155 A C 1.472 179.056 177.584 0.001 0.000 1.217 1155 A CA -0.410 51.597 52.037 -0.050 0.000 0.944 1155 A CB -0.267 18.682 19.000 -0.085 0.000 1.025 1155 A HN 0.235 nan 8.150 nan 0.000 0.524 1156 F N 1.525 121.433 119.950 -0.069 0.000 2.225 1156 F HA -0.243 4.283 4.527 -0.001 0.000 0.302 1156 F C 1.354 177.126 175.800 -0.046 0.000 1.068 1156 F CA 2.083 60.054 58.000 -0.049 0.000 1.327 1156 F CB 0.059 39.032 39.000 -0.045 0.000 1.043 1156 F HN 0.236 nan 8.300 nan 0.000 0.506 1157 D N 0.655 121.003 120.400 -0.086 0.000 2.310 1157 D HA -0.101 4.539 4.640 -0.000 0.000 0.212 1157 D C 1.895 178.050 176.300 -0.242 0.000 0.965 1157 D CA 1.360 55.259 54.000 -0.168 0.000 0.879 1157 D CB -0.194 40.595 40.800 -0.018 0.000 0.921 1157 D HN 0.499 nan 8.370 nan 0.000 0.510 1158 I N -1.532 118.904 120.570 -0.223 0.000 3.793 1158 I HA 0.080 4.249 4.170 -0.000 0.000 0.315 1158 I C 1.103 177.089 176.117 -0.218 0.000 1.275 1158 I CA 0.039 61.230 61.300 -0.182 0.000 1.214 1158 I CB 0.451 38.369 38.000 -0.138 0.000 1.018 1158 I HN -0.080 nan 8.210 nan 0.000 0.439 1159 c N 2.433 120.831 118.600 -0.337 0.000 3.254 1159 c HA 0.312 4.882 4.570 -0.000 0.000 0.264 1159 c C -2.434 171.315 174.090 -0.569 0.000 2.396 1159 c CA -1.162 54.971 56.329 -0.327 0.000 1.468 1159 c CB -0.276 42.114 42.510 -0.200 0.000 2.871 1159 c HN 0.092 nan 8.230 nan 0.000 0.480 1160 P HA 0.127 nan 4.420 nan 0.000 0.258 1160 P C -0.738 176.384 177.300 -0.296 0.000 1.172 1160 P CA 0.748 63.215 63.100 -1.055 0.000 0.762 1160 P CB 0.625 32.008 31.700 -0.529 0.000 0.764 1161 L N 6.213 127.412 121.223 -0.040 0.000 2.482 1161 L HA 0.079 4.418 4.340 -0.000 0.000 0.269 1161 L C 1.179 178.125 176.870 0.128 0.000 0.967 1161 L CA -0.701 54.157 54.840 0.031 0.000 0.851 1161 L CB 1.427 43.494 42.059 0.013 0.000 1.242 1161 L HN 0.125 nan 8.230 nan 0.000 0.404 1162 V N 3.057 123.023 119.914 0.087 0.000 2.250 1162 V HA -0.325 3.795 4.120 -0.000 0.000 0.253 1162 V C 2.178 178.327 176.094 0.092 0.000 1.065 1162 V CA 2.266 64.618 62.300 0.087 0.000 1.039 1162 V CB -1.106 30.748 31.823 0.052 0.000 0.647 1162 V HN 0.886 nan 8.190 nan 0.000 0.446 1163 K N 0.434 120.878 120.400 0.074 0.000 2.152 1163 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 1163 K C 2.031 178.685 176.600 0.091 0.000 1.048 1163 K CA 2.078 58.405 56.287 0.066 0.000 0.933 1163 K CB -0.220 32.310 32.500 0.050 0.000 0.721 1163 K HN 0.805 nan 8.250 nan 0.000 0.447 1164 I N -1.979 118.673 120.570 0.138 0.000 3.883 1164 I HA 0.004 4.174 4.170 -0.000 0.000 0.326 1164 I C 1.222 177.442 176.117 0.173 0.000 1.283 1164 I CA 0.640 62.046 61.300 0.175 0.000 1.161 1164 I CB 0.100 38.229 38.000 0.214 0.000 1.012 1164 I HN -0.037 nan 8.210 nan 0.000 0.421 1165 D N 1.401 121.895 120.400 0.156 0.000 2.120 1165 D HA -0.148 4.491 4.640 -0.000 0.000 0.202 1165 D C 1.962 178.260 176.300 -0.004 0.000 0.972 1165 D CA 1.952 55.964 54.000 0.020 0.000 0.837 1165 D CB 0.084 40.914 40.800 0.051 0.000 0.989 1165 D HN 0.236 nan 8.370 nan 0.000 0.469 1166 T N 0.138 114.712 114.554 0.032 0.000 2.592 1166 T HA -0.287 4.062 4.350 -0.000 0.000 0.267 1166 T C 1.940 176.664 174.700 0.040 0.000 1.060 1166 T CA 2.384 64.502 62.100 0.029 0.000 1.167 1166 T CB -0.889 68.001 68.868 0.035 0.000 0.863 1166 T HN 0.314 nan 8.240 nan 0.000 0.431 1167 A N 0.995 123.855 122.820 0.066 0.000 1.892 1167 A HA -0.092 4.227 4.320 -0.000 0.000 0.218 1167 A C 2.380 180.030 177.584 0.111 0.000 1.188 1167 A CA 1.627 53.728 52.037 0.108 0.000 0.631 1167 A CB -1.075 18.016 19.000 0.152 0.000 0.822 1167 A HN 0.513 nan 8.150 nan 0.000 0.447 1168 L N -1.133 120.119 121.223 0.047 0.000 2.081 1168 L HA -0.221 4.118 4.340 -0.000 0.000 0.212 1168 L C 2.493 179.345 176.870 -0.030 0.000 1.080 1168 L CA 1.465 56.288 54.840 -0.028 0.000 0.754 1168 L CB -0.314 41.651 42.059 -0.157 0.000 0.893 1168 L HN 0.456 nan 8.230 nan 0.000 0.433 1169 I N -0.826 119.733 120.570 -0.019 0.000 2.141 1169 I HA -0.249 3.921 4.170 -0.000 0.000 0.236 1169 I C 2.416 178.555 176.117 0.037 0.000 1.071 1169 I CA 0.847 62.142 61.300 -0.008 0.000 1.345 1169 I CB -0.228 37.766 38.000 -0.010 0.000 1.066 1169 I HN 0.066 nan 8.210 nan 0.000 0.406 1170 K N 0.954 121.389 120.400 0.057 0.000 2.144 1170 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 1170 K C 2.008 178.685 176.600 0.128 0.000 1.047 1170 K CA 1.800 58.137 56.287 0.084 0.000 0.927 1170 K CB -0.885 31.660 32.500 0.074 0.000 0.716 1170 K HN 0.425 nan 8.250 nan 0.000 0.454 1171 A N 1.619 124.521 122.820 0.138 0.000 1.832 1171 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 1171 A C 1.987 179.644 177.584 0.121 0.000 1.204 1171 A CA 1.752 53.883 52.037 0.157 0.000 0.606 1171 A CB -0.719 18.346 19.000 0.108 0.000 0.849 1171 A HN 0.193 nan 8.150 nan 0.000 0.445 1172 D N -0.004 120.418 120.400 0.038 0.000 2.191 1172 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 1172 D C 1.815 178.129 176.300 0.024 0.000 1.003 1172 D CA 1.348 55.346 54.000 -0.003 0.000 0.867 1172 D CB -0.464 40.304 40.800 -0.053 0.000 0.926 1172 D HN 0.579 nan 8.370 nan 0.000 0.450 1173 N N -0.871 117.863 118.700 0.056 0.000 2.013 1173 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 1173 N C 1.863 177.422 175.510 0.083 0.000 1.051 1173 N CA 0.904 53.987 53.050 0.055 0.000 0.851 1173 N CB -0.342 38.192 38.487 0.078 0.000 1.044 1173 N HN 0.130 nan 8.380 nan 0.000 0.422 1174 F N 2.304 122.260 119.950 0.011 0.000 2.111 1174 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 1174 F C 2.059 177.864 175.800 0.008 0.000 1.088 1174 F CA 1.398 59.412 58.000 0.023 0.000 1.243 1174 F CB -0.368 38.664 39.000 0.054 0.000 0.996 1174 F HN 0.020 nan 8.300 nan 0.000 0.483 1175 L N -0.362 120.907 121.223 0.077 0.000 2.005 1175 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 1175 L C 2.574 179.365 176.870 -0.131 0.000 1.072 1175 L CA 1.287 56.101 54.840 -0.043 0.000 0.744 1175 L CB -0.921 41.167 42.059 0.049 0.000 0.895 1175 L HN 0.228 nan 8.230 nan 0.000 0.433 1176 L N -0.292 120.862 121.223 -0.114 0.000 1.990 1176 L HA -0.268 4.071 4.340 -0.000 0.000 0.213 1176 L C 2.433 179.204 176.870 -0.166 0.000 1.072 1176 L CA 1.594 56.337 54.840 -0.162 0.000 0.755 1176 L CB -0.605 41.296 42.059 -0.262 0.000 0.889 1176 L HN 0.342 nan 8.230 nan 0.000 0.432 1177 E N -0.643 119.454 120.200 -0.171 0.000 2.478 1177 E HA -0.105 4.245 4.350 -0.000 0.000 0.198 1177 E C 0.905 177.358 176.600 -0.245 0.000 1.046 1177 E CA 0.314 56.617 56.400 -0.162 0.000 0.870 1177 E CB 0.132 29.769 29.700 -0.106 0.000 0.818 1177 E HN 0.426 nan 8.360 nan 0.000 0.527 1178 N N -0.953 117.527 118.700 -0.367 0.000 2.116 1178 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 1178 N C 0.639 175.981 175.510 -0.280 0.000 1.326 1178 N CA 0.191 52.970 53.050 -0.453 0.000 0.867 1178 N CB 0.975 38.825 38.487 -1.061 0.000 1.174 1178 N HN -0.039 nan 8.380 nan 0.000 0.506 1179 T N 0.897 115.341 114.554 -0.182 0.000 2.781 1179 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 1179 T C 2.036 176.702 174.700 -0.056 0.000 1.039 1179 T CA 0.442 62.489 62.100 -0.088 0.000 1.147 1179 T CB 0.157 68.989 68.868 -0.060 0.000 0.865 1179 T HN 0.070 nan 8.240 nan 0.000 0.423 1180 L N 0.909 122.095 121.223 -0.061 0.000 2.141 1180 L HA 0.025 4.365 4.340 -0.000 0.000 0.209 1180 L C -1.256 175.599 176.870 -0.024 0.000 1.094 1180 L CA 0.575 55.391 54.840 -0.040 0.000 0.763 1180 L CB -1.084 40.948 42.059 -0.044 0.000 0.908 1180 L HN 0.159 nan 8.230 nan 0.000 0.437 1181 P HA 0.035 nan 4.420 nan 0.000 0.252 1181 P C -0.585 176.718 177.300 0.005 0.000 1.694 1181 P CA 0.130 63.225 63.100 -0.007 0.000 1.163 1181 P CB -0.021 31.676 31.700 -0.005 0.000 1.934 1182 A N 2.177 125.001 122.820 0.006 0.000 2.520 1182 A HA 0.032 4.351 4.320 -0.000 0.000 0.245 1182 A C 1.434 179.044 177.584 0.043 0.000 1.072 1182 A CA 0.168 52.219 52.037 0.023 0.000 0.761 1182 A CB 0.371 19.384 19.000 0.021 0.000 1.004 1182 A HN 0.297 nan 8.150 nan 0.000 0.499 1183 Q N 1.456 121.298 119.800 0.070 0.000 2.259 1183 Q HA 0.132 4.472 4.340 -0.000 0.000 0.201 1183 Q C 0.695 176.773 176.000 0.129 0.000 0.938 1183 Q CA 1.535 57.398 55.803 0.100 0.000 0.872 1183 Q CB 0.284 29.083 28.738 0.102 0.000 0.971 1183 Q HN 0.877 nan 8.270 nan 0.000 0.494 1184 S N -1.875 113.909 115.700 0.140 0.000 2.541 1184 S HA 0.386 4.855 4.470 -0.000 0.000 0.280 1184 S C 0.447 175.150 174.600 0.172 0.000 1.112 1184 S CA -0.189 58.113 58.200 0.170 0.000 0.925 1184 S CB 1.365 64.694 63.200 0.215 0.000 1.067 1184 S HN 0.214 nan 8.310 nan 0.000 0.479 1185 T N 3.539 118.198 114.554 0.174 0.000 2.653 1185 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 1185 T C 1.337 176.144 174.700 0.179 0.000 1.035 1185 T CA 2.378 64.588 62.100 0.183 0.000 1.154 1185 T CB -0.735 68.274 68.868 0.235 0.000 0.862 1185 T HN 0.658 nan 8.240 nan 0.000 0.441 1186 F N 2.004 122.021 119.950 0.111 0.000 2.025 1186 F HA -0.248 4.278 4.527 -0.000 0.000 0.297 1186 F C 2.535 178.380 175.800 0.075 0.000 1.132 1186 F CA 2.102 60.169 58.000 0.112 0.000 1.191 1186 F CB -1.007 38.071 39.000 0.131 0.000 0.963 1186 F HN 0.098 nan 8.300 nan 0.000 0.481 1187 T N 1.714 116.486 114.554 0.364 0.000 2.653 1187 T HA -0.300 4.049 4.350 -0.000 0.000 0.268 1187 T C 1.778 176.477 174.700 -0.002 0.000 1.035 1187 T CA 1.826 64.052 62.100 0.210 0.000 1.154 1187 T CB -0.851 68.161 68.868 0.240 0.000 0.862 1187 T HN 0.284 nan 8.240 nan 0.000 0.441 1188 L N 1.417 122.651 121.223 0.017 0.000 1.970 1188 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 1188 L C 2.756 179.568 176.870 -0.096 0.000 1.071 1188 L CA 2.212 57.041 54.840 -0.018 0.000 0.751 1188 L CB -1.184 40.886 42.059 0.019 0.000 0.889 1188 L HN 0.270 nan 8.230 nan 0.000 0.432 1189 A N -0.385 122.345 122.820 -0.151 0.000 1.917 1189 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 1189 A C 2.281 179.672 177.584 -0.321 0.000 1.182 1189 A CA 2.391 54.304 52.037 -0.207 0.000 0.633 1189 A CB -0.978 17.898 19.000 -0.206 0.000 0.819 1189 A HN 0.561 nan 8.150 nan 0.000 0.448 1190 I N -1.375 118.797 120.570 -0.662 0.000 2.133 1190 I HA -0.211 3.958 4.170 -0.000 0.000 0.238 1190 I C 2.786 178.733 176.117 -0.282 0.000 1.074 1190 I CA 1.459 62.281 61.300 -0.797 0.000 1.342 1190 I CB -0.713 36.724 38.000 -0.939 0.000 1.053 1190 I HN 0.390 nan 8.210 nan 0.000 0.404 1191 S N 0.502 116.092 115.700 -0.182 0.000 2.390 1191 S HA -0.340 4.130 4.470 -0.000 0.000 0.234 1191 S C 2.131 176.725 174.600 -0.011 0.000 1.063 1191 S CA 2.068 60.230 58.200 -0.064 0.000 1.108 1191 S CB -0.376 62.807 63.200 -0.028 0.000 0.975 1191 S HN 0.533 nan 8.310 nan 0.000 0.442 1192 A N 0.262 123.087 122.820 0.008 0.000 1.841 1192 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 1192 A C 2.002 179.695 177.584 0.181 0.000 1.199 1192 A CA 2.037 54.148 52.037 0.123 0.000 0.621 1192 A CB -1.528 17.505 19.000 0.055 0.000 0.835 1192 A HN 0.752 nan 8.150 nan 0.000 0.445 1193 Y N 0.840 121.155 120.300 0.026 0.000 2.298 1193 Y HA -0.157 4.393 4.550 -0.000 0.000 0.287 1193 Y C 2.475 178.378 175.900 0.004 0.000 1.164 1193 Y CA 1.173 59.310 58.100 0.061 0.000 1.229 1193 Y CB -0.434 38.125 38.460 0.164 0.000 0.977 1193 Y HN 0.306 nan 8.280 nan 0.000 0.538 1194 A N -0.296 122.430 122.820 -0.157 0.000 1.970 1194 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 1194 A C 2.195 179.614 177.584 -0.275 0.000 1.170 1194 A CA 1.414 53.299 52.037 -0.254 0.000 0.645 1194 A CB -0.799 18.114 19.000 -0.145 0.000 0.816 1194 A HN 0.514 nan 8.150 nan 0.000 0.447 1195 L N -0.843 120.259 121.223 -0.201 0.000 2.023 1195 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 1195 L C 2.744 179.269 176.870 -0.574 0.000 1.073 1195 L CA 1.238 55.885 54.840 -0.321 0.000 0.745 1195 L CB -0.717 41.242 42.059 -0.167 0.000 0.900 1195 L HN 0.459 nan 8.230 nan 0.000 0.435 1196 S N 0.632 116.033 115.700 -0.499 0.000 2.448 1196 S HA -0.236 4.233 4.470 -0.000 0.000 0.250 1196 S C 1.292 175.656 174.600 -0.392 0.000 1.088 1196 S CA 1.367 59.330 58.200 -0.394 0.000 1.058 1196 S CB -0.542 62.623 63.200 -0.059 0.000 0.873 1196 S HN 0.381 nan 8.310 nan 0.000 0.473 1197 L N 0.933 121.899 121.223 -0.429 0.000 3.064 1197 L HA 0.520 4.860 4.340 -0.000 0.000 0.233 1197 L C 0.983 177.680 176.870 -0.288 0.000 1.333 1197 L CA -0.187 54.447 54.840 -0.343 0.000 1.140 1197 L CB -0.174 41.652 42.059 -0.388 0.000 1.519 1197 L HN 0.435 nan 8.230 nan 0.000 0.493 1198 G N -0.491 108.127 108.800 -0.304 0.000 3.206 1198 G HA2 0.012 3.972 3.960 -0.000 0.000 0.146 1198 G HA3 0.012 3.972 3.960 -0.000 0.000 0.146 1198 G C -1.490 173.265 174.900 -0.240 0.000 1.214 1198 G CA -0.259 44.685 45.100 -0.260 0.000 1.297 1198 G HN 0.147 nan 8.290 nan 0.000 0.659 1199 D N 1.596 121.856 120.400 -0.234 0.000 2.347 1199 D HA 0.324 4.964 4.640 -0.000 0.000 0.235 1199 D C 0.548 176.664 176.300 -0.306 0.000 1.149 1199 D CA -0.340 53.549 54.000 -0.184 0.000 0.850 1199 D CB 0.747 41.496 40.800 -0.084 0.000 1.061 1199 D HN 0.389 nan 8.370 nan 0.000 0.487 1200 K N 1.853 122.089 120.400 -0.273 0.000 2.811 1200 K HA 0.145 4.465 4.320 -0.000 0.000 0.217 1200 K C 0.417 177.103 176.600 0.143 0.000 1.115 1200 K CA -0.287 55.801 56.287 -0.331 0.000 1.179 1200 K CB -0.126 32.248 32.500 -0.210 0.000 0.994 1200 K HN 0.362 nan 8.250 nan 0.000 0.464 1201 T N -4.515 110.114 114.554 0.125 0.000 3.080 1201 T HA -0.008 4.342 4.350 -0.000 0.000 0.280 1201 T C 0.292 175.100 174.700 0.180 0.000 0.926 1201 T CA -0.350 61.849 62.100 0.165 0.000 0.883 1201 T CB -0.513 68.396 68.868 0.069 0.000 1.194 1201 T HN 0.460 nan 8.240 nan 0.000 0.541 1202 H N 3.603 122.726 119.070 0.089 0.000 3.140 1202 H HA 0.090 4.645 4.556 -0.000 0.000 0.316 1202 H C -1.579 173.820 175.328 0.118 0.000 0.986 1202 H CA -0.767 55.329 56.048 0.080 0.000 1.397 1202 H CB 0.910 30.710 29.762 0.063 0.000 1.377 1202 H HN -0.018 nan 8.280 nan 0.000 0.585 1203 P HA -0.248 nan 4.420 nan 0.000 0.215 1203 P C 1.437 178.870 177.300 0.222 0.000 1.157 1203 P CA 1.392 64.604 63.100 0.187 0.000 0.874 1203 P CB 0.185 31.951 31.700 0.110 0.000 0.790 1204 Q N -0.682 119.343 119.800 0.374 0.000 2.045 1204 Q HA -0.227 4.112 4.340 -0.000 0.000 0.206 1204 Q C 1.967 178.006 176.000 0.064 0.000 0.991 1204 Q CA 1.841 57.714 55.803 0.117 0.000 0.851 1204 Q CB -1.587 27.089 28.738 -0.103 0.000 0.911 1204 Q HN 0.149 nan 8.270 nan 0.000 0.418 1205 F N 1.051 120.977 119.950 -0.040 0.000 2.063 1205 F HA -0.262 4.265 4.527 -0.001 0.000 0.298 1205 F C 1.922 177.718 175.800 -0.007 0.000 1.109 1205 F CA 2.250 60.228 58.000 -0.035 0.000 1.212 1205 F CB -0.406 38.587 39.000 -0.011 0.000 0.973 1205 F HN 0.092 nan 8.300 nan 0.000 0.480 1206 R N -0.301 120.119 120.500 -0.133 0.000 2.159 1206 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 1206 R C 2.561 178.740 176.300 -0.201 0.000 1.131 1206 R CA 1.237 57.190 56.100 -0.246 0.000 0.982 1206 R CB -0.956 29.308 30.300 -0.060 0.000 0.868 1206 R HN 0.362 nan 8.270 nan 0.000 0.453 1207 S N 1.030 116.662 115.700 -0.114 0.000 2.345 1207 S HA -0.061 4.409 4.470 -0.000 0.000 0.220 1207 S C 2.030 176.559 174.600 -0.119 0.000 1.031 1207 S CA 0.922 59.070 58.200 -0.086 0.000 0.996 1207 S CB -0.048 63.129 63.200 -0.040 0.000 0.882 1207 S HN 0.205 nan 8.310 nan 0.000 0.445 1208 I N 1.393 121.877 120.570 -0.143 0.000 2.179 1208 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 1208 I C 2.234 178.245 176.117 -0.176 0.000 1.088 1208 I CA 1.145 62.368 61.300 -0.128 0.000 1.357 1208 I CB -1.185 36.764 38.000 -0.086 0.000 1.051 1208 I HN 0.183 nan 8.210 nan 0.000 0.409 1209 V N 0.943 120.645 119.914 -0.353 0.000 2.469 1209 V HA -0.280 3.839 4.120 -0.000 0.000 0.251 1209 V C 2.806 178.797 176.094 -0.172 0.000 1.064 1209 V CA 2.142 64.248 62.300 -0.324 0.000 1.066 1209 V CB -0.806 30.683 31.823 -0.556 0.000 0.667 1209 V HN 0.534 nan 8.190 nan 0.000 0.461 1210 S N 0.403 116.004 115.700 -0.165 0.000 2.354 1210 S HA -0.236 4.234 4.470 -0.000 0.000 0.219 1210 S C 2.228 176.799 174.600 -0.049 0.000 1.035 1210 S CA 1.948 60.088 58.200 -0.100 0.000 1.037 1210 S CB -0.562 62.585 63.200 -0.090 0.000 0.956 1210 S HN 0.644 nan 8.310 nan 0.000 0.428 1211 A N 2.283 125.075 122.820 -0.047 0.000 1.883 1211 A HA -0.227 4.092 4.320 -0.000 0.000 0.222 1211 A C 2.307 179.913 177.584 0.037 0.000 1.339 1211 A CA 2.421 54.450 52.037 -0.013 0.000 0.692 1211 A CB -1.619 17.369 19.000 -0.021 0.000 0.845 1211 A HN 0.791 nan 8.150 nan 0.000 0.467 1212 L N -0.348 120.904 121.223 0.048 0.000 2.013 1212 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 1212 L C 2.256 179.325 176.870 0.331 0.000 1.073 1212 L CA 2.925 57.856 54.840 0.152 0.000 0.753 1212 L CB -0.685 41.413 42.059 0.065 0.000 0.890 1212 L HN 0.497 nan 8.230 nan 0.000 0.432 1213 K N -0.841 119.687 120.400 0.213 0.000 2.288 1213 K HA -0.155 4.165 4.320 -0.000 0.000 0.201 1213 K C 2.301 178.984 176.600 0.138 0.000 1.048 1213 K CA 0.898 57.344 56.287 0.264 0.000 0.956 1213 K CB -0.074 32.436 32.500 0.017 0.000 0.746 1213 K HN 0.396 nan 8.250 nan 0.000 0.461 1214 R N 0.145 120.686 120.500 0.068 0.000 2.161 1214 R HA -0.026 4.314 4.340 -0.000 0.000 0.213 1214 R C 1.183 177.473 176.300 -0.017 0.000 1.055 1214 R CA 0.885 56.985 56.100 0.000 0.000 0.996 1214 R CB 0.190 30.482 30.300 -0.014 0.000 0.901 1214 R HN 0.088 nan 8.270 nan 0.000 0.456 1215 E N 0.949 121.185 120.200 0.059 0.000 2.274 1215 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 1215 E C 0.616 177.115 176.600 -0.167 0.000 0.996 1215 E CA 0.667 57.088 56.400 0.035 0.000 0.840 1215 E CB 0.055 29.866 29.700 0.185 0.000 0.772 1215 E HN 0.424 nan 8.360 nan 0.000 0.491 1216 A N 0.711 123.244 122.820 -0.478 0.000 2.387 1216 A HA 0.373 4.692 4.320 -0.000 0.000 0.251 1216 A C 0.163 177.257 177.584 -0.816 0.000 1.113 1216 A CA 0.069 51.348 52.037 -1.263 0.000 0.794 1216 A CB 0.215 18.089 19.000 -1.877 0.000 1.069 1216 A HN 0.119 nan 8.150 nan 0.000 0.506 1217 L N -1.649 118.955 121.223 -1.032 0.000 2.359 1217 L HA 0.761 5.101 4.340 -0.000 0.000 0.256 1217 L C -0.852 175.465 176.870 -0.922 0.000 1.026 1217 L CA -0.952 53.389 54.840 -0.832 0.000 0.828 1217 L CB 2.071 43.653 42.059 -0.794 0.000 1.406 1217 L HN 0.617 nan 8.230 nan 0.000 0.413 1218 V N -1.442 118.130 119.914 -0.570 0.000 3.012 1218 V HA 0.638 4.758 4.120 -0.000 0.000 0.307 1218 V C -0.985 175.040 176.094 -0.115 0.000 1.166 1218 V CA -0.871 61.225 62.300 -0.340 0.000 0.974 1218 V CB 1.845 33.527 31.823 -0.235 0.000 1.040 1218 V HN 0.661 nan 8.190 nan 0.000 0.428 1219 K N 1.781 122.223 120.400 0.070 0.000 2.323 1219 K HA 0.751 5.070 4.320 -0.000 0.000 0.259 1219 K C 0.189 176.868 176.600 0.132 0.000 0.947 1219 K CA 0.436 56.846 56.287 0.206 0.000 0.819 1219 K CB 1.596 34.392 32.500 0.493 0.000 1.109 1219 K HN 1.786 nan 8.250 nan 0.000 0.429 1220 G N 2.303 111.152 108.800 0.081 0.000 2.731 1220 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 1220 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 1220 G C -1.083 173.813 174.900 -0.006 0.000 1.395 1220 G CA -0.794 44.327 45.100 0.035 0.000 0.870 1220 G HN 0.693 nan 8.290 nan 0.000 0.591 1221 N N 1.659 120.353 118.700 -0.011 0.000 2.417 1221 N HA 0.597 5.336 4.740 -0.000 0.000 0.274 1221 N C -1.418 174.077 175.510 -0.026 0.000 0.987 1221 N CA -1.203 51.834 53.050 -0.022 0.000 0.912 1221 N CB 1.302 39.777 38.487 -0.019 0.000 1.177 1221 N HN 0.472 nan 8.380 nan 0.000 0.490 1222 P HA 0.391 nan 4.420 nan 0.000 0.293 1222 P C -2.780 174.491 177.300 -0.048 0.000 1.298 1222 P CA -1.139 61.939 63.100 -0.037 0.000 0.757 1222 P CB -0.693 30.987 31.700 -0.035 0.000 1.262 1223 P HA 0.031 nan 4.420 nan 0.000 0.258 1223 P C 0.332 177.579 177.300 -0.089 0.000 1.172 1223 P CA 0.877 63.935 63.100 -0.070 0.000 0.762 1223 P CB -0.061 31.595 31.700 -0.074 0.000 0.764 1224 I N 1.670 122.162 120.570 -0.130 0.000 3.526 1224 I HA 0.053 4.223 4.170 -0.000 0.000 0.294 1224 I C 0.089 175.968 176.117 -0.396 0.000 1.229 1224 I CA 0.626 61.758 61.300 -0.280 0.000 1.408 1224 I CB 0.108 37.873 38.000 -0.392 0.000 1.127 1224 I HN 0.241 nan 8.210 nan 0.000 0.439 1225 Y N 0.861 121.206 120.300 0.075 0.000 2.425 1225 Y HA 0.602 5.152 4.550 -0.000 0.000 0.344 1225 Y C -0.012 175.871 175.900 -0.029 0.000 0.969 1225 Y CA -1.082 57.096 58.100 0.130 0.000 1.052 1225 Y CB 1.456 40.092 38.460 0.294 0.000 1.215 1225 Y HN -0.104 nan 8.280 nan 0.000 0.451 1226 R N 3.211 123.744 120.500 0.055 0.000 2.854 1226 R HA 0.847 5.187 4.340 -0.000 0.000 0.271 1226 R C -1.933 174.137 176.300 -0.382 0.000 0.994 1226 R CA -0.651 55.233 56.100 -0.360 0.000 0.945 1226 R CB 1.824 31.845 30.300 -0.465 0.000 1.194 1226 R HN 0.668 nan 8.270 nan 0.000 0.476 1227 F N -1.282 118.240 119.950 -0.714 0.000 2.799 1227 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 1227 F C -1.717 173.882 175.800 -0.334 0.000 1.155 1227 F CA -1.504 56.132 58.000 -0.607 0.000 0.916 1227 F CB 0.816 38.884 39.000 -1.554 0.000 1.294 1227 F HN 0.326 nan 8.300 nan 0.000 0.447 1228 W N 1.116 122.331 121.300 -0.142 0.000 2.509 1228 W HA 0.634 5.294 4.660 -0.001 0.000 0.351 1228 W C -0.352 176.257 176.519 0.149 0.000 1.107 1228 W CA -0.981 56.345 57.345 -0.033 0.000 1.264 1228 W CB 1.965 31.425 29.460 -0.001 0.000 1.312 1228 W HN 0.408 nan 8.180 nan 0.000 0.608 1229 K N 0.588 121.195 120.400 0.345 0.000 2.123 1229 K HA 0.039 4.358 4.320 -0.000 0.000 0.248 1229 K C 0.730 177.493 176.600 0.271 0.000 0.969 1229 K CA -0.439 56.023 56.287 0.291 0.000 0.882 1229 K CB 1.468 34.093 32.500 0.209 0.000 1.080 1229 K HN 0.311 nan 8.250 nan 0.000 0.441 1230 D N 1.691 122.232 120.400 0.234 0.000 2.084 1230 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 1230 D C 0.430 176.853 176.300 0.205 0.000 0.985 1230 D CA 1.154 55.294 54.000 0.234 0.000 0.826 1230 D CB -0.217 40.679 40.800 0.160 0.000 0.978 1230 D HN 0.689 nan 8.370 nan 0.000 0.456 1231 N N 0.195 118.994 118.700 0.165 0.000 2.081 1231 N HA -0.164 4.575 4.740 -0.000 0.000 0.206 1231 N C -0.232 175.370 175.510 0.153 0.000 1.364 1231 N CA 0.321 53.475 53.050 0.174 0.000 0.867 1231 N CB 0.269 38.854 38.487 0.165 0.000 1.019 1231 N HN 0.327 nan 8.380 nan 0.000 0.430 1232 L N -0.194 121.089 121.223 0.100 0.000 2.504 1232 L HA 0.122 4.462 4.340 -0.000 0.000 0.265 1232 L C 0.423 177.100 176.870 -0.321 0.000 0.975 1232 L CA -0.360 54.450 54.840 -0.050 0.000 0.864 1232 L CB 0.878 42.923 42.059 -0.024 0.000 1.212 1232 L HN 0.874 nan 8.230 nan 0.000 0.416 1233 Q N 2.066 121.759 119.800 -0.178 0.000 2.375 1233 Q HA -0.320 4.020 4.340 -0.000 0.000 0.242 1233 Q C -0.494 175.374 176.000 -0.220 0.000 0.956 1233 Q CA 2.067 57.757 55.803 -0.190 0.000 1.163 1233 Q CB -1.889 26.745 28.738 -0.172 0.000 1.680 1233 Q HN 0.846 nan 8.270 nan 0.000 0.547 1234 H N 1.000 120.085 119.070 0.025 0.000 2.539 1234 H HA 0.135 4.691 4.556 -0.000 0.000 0.269 1234 H C 0.410 175.748 175.328 0.016 0.000 0.980 1234 H CA 0.603 56.663 56.048 0.019 0.000 1.152 1234 H CB 0.475 30.250 29.762 0.022 0.000 1.407 1234 H HN 0.241 nan 8.280 nan 0.000 0.564 1235 K N 1.730 122.183 120.400 0.088 0.000 3.333 1235 K HA -0.222 4.098 4.320 -0.000 0.000 0.267 1235 K C 0.721 177.355 176.600 0.057 0.000 0.863 1235 K CA 0.552 56.870 56.287 0.051 0.000 0.646 1235 K CB -0.823 31.689 32.500 0.019 0.000 1.499 1235 K HN 0.439 nan 8.250 nan 0.000 0.461 1236 D N 0.441 120.883 120.400 0.069 0.000 2.264 1236 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 1236 D C 0.814 177.137 176.300 0.038 0.000 0.966 1236 D CA 1.323 55.351 54.000 0.047 0.000 0.864 1236 D CB 0.129 40.953 40.800 0.041 0.000 0.933 1236 D HN 0.418 nan 8.370 nan 0.000 0.499 1237 S N -1.111 114.617 115.700 0.046 0.000 3.127 1237 S HA -0.237 4.233 4.470 -0.000 0.000 0.281 1237 S C 0.141 174.770 174.600 0.047 0.000 1.293 1237 S CA 1.023 59.251 58.200 0.045 0.000 1.156 1237 S CB -2.210 61.008 63.200 0.031 0.000 1.389 1237 S HN 0.462 nan 8.310 nan 0.000 0.672 1238 S N 1.466 117.191 115.700 0.041 0.000 3.024 1238 S HA 0.410 4.879 4.470 -0.000 0.000 0.316 1238 S C 0.592 175.219 174.600 0.044 0.000 1.197 1238 S CA 0.022 58.242 58.200 0.032 0.000 1.097 1238 S CB 0.526 63.736 63.200 0.018 0.000 1.471 1238 S HN 1.443 nan 8.310 nan 0.000 0.543 1239 V N -0.239 119.709 119.914 0.057 0.000 3.023 1239 V HA 0.372 4.491 4.120 -0.000 0.000 0.384 1239 V C -2.203 173.902 176.094 0.019 0.000 1.289 1239 V CA -2.022 60.319 62.300 0.068 0.000 1.383 1239 V CB -0.734 31.174 31.823 0.141 0.000 1.388 1239 V HN 0.592 nan 8.190 nan 0.000 0.551 1240 P HA -0.029 nan 4.420 nan 0.000 0.196 1240 P C 0.036 177.298 177.300 -0.062 0.000 1.360 1240 P CA 0.567 63.652 63.100 -0.025 0.000 1.128 1240 P CB -0.783 30.901 31.700 -0.027 0.000 1.750 1241 N N -0.493 118.168 118.700 -0.066 0.000 2.696 1241 N HA -0.165 4.574 4.740 -0.000 0.000 0.249 1241 N C -0.312 175.100 175.510 -0.163 0.000 1.090 1241 N CA 1.853 54.827 53.050 -0.126 0.000 0.716 1241 N CB -1.861 36.522 38.487 -0.173 0.000 1.020 1241 N HN 0.570 nan 8.380 nan 0.000 0.548 1242 T N -4.268 110.224 114.554 -0.104 0.000 3.172 1242 T HA 0.638 4.988 4.350 -0.000 0.000 0.320 1242 T C 0.585 175.248 174.700 -0.062 0.000 1.085 1242 T CA -0.337 61.709 62.100 -0.090 0.000 1.052 1242 T CB 1.982 70.799 68.868 -0.084 0.000 1.107 1242 T HN 0.176 nan 8.240 nan 0.000 0.458 1243 G N 0.922 109.703 108.800 -0.032 0.000 2.553 1243 G HA2 0.615 4.575 3.960 -0.000 0.000 0.278 1243 G HA3 0.615 4.575 3.960 -0.000 0.000 0.278 1243 G C -0.695 173.987 174.900 -0.362 0.000 1.349 1243 G CA -0.576 44.524 45.100 -0.001 0.000 1.037 1243 G HN 0.995 nan 8.290 nan 0.000 0.508 1244 T N -1.814 112.421 114.554 -0.532 0.000 3.289 1244 T HA 0.422 4.772 4.350 -0.000 0.000 0.370 1244 T C 1.018 175.559 174.700 -0.265 0.000 1.546 1244 T CA 0.280 62.028 62.100 -0.586 0.000 1.144 1244 T CB 1.225 69.992 68.868 -0.169 0.000 1.379 1244 T HN 0.968 nan 8.240 nan 0.000 0.478 1245 A N 2.529 125.207 122.820 -0.237 0.000 1.929 1245 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 1245 A C 2.070 179.742 177.584 0.147 0.000 1.211 1245 A CA 2.547 54.636 52.037 0.085 0.000 0.657 1245 A CB -0.475 18.523 19.000 -0.004 0.000 0.827 1245 A HN 0.771 nan 8.150 nan 0.000 0.462 1246 R N -1.716 118.843 120.500 0.098 0.000 2.093 1246 R HA 0.055 4.395 4.340 -0.000 0.000 0.224 1246 R C 2.286 178.757 176.300 0.285 0.000 1.101 1246 R CA 1.161 57.375 56.100 0.189 0.000 0.979 1246 R CB -0.267 30.065 30.300 0.053 0.000 0.877 1246 R HN 0.626 nan 8.270 nan 0.000 0.441 1247 M N 0.151 119.890 119.600 0.231 0.000 2.180 1247 M HA -0.228 4.252 4.480 -0.000 0.000 0.260 1247 M C 1.919 178.475 176.300 0.427 0.000 1.071 1247 M CA 1.950 57.442 55.300 0.320 0.000 1.096 1247 M CB -0.162 32.616 32.600 0.296 0.000 1.276 1247 M HN 0.026 nan 8.290 nan 0.000 0.426 1248 V N 0.407 120.610 119.914 0.480 0.000 2.546 1248 V HA -0.296 3.823 4.120 -0.000 0.000 0.254 1248 V C 2.171 178.441 176.094 0.292 0.000 1.076 1248 V CA 2.303 64.896 62.300 0.488 0.000 1.087 1248 V CB -1.113 30.932 31.823 0.369 0.000 0.674 1248 V HN 0.626 nan 8.190 nan 0.000 0.470 1249 E N 0.840 121.204 120.200 0.273 0.000 2.015 1249 E HA -0.233 4.116 4.350 -0.000 0.000 0.191 1249 E C 2.381 179.086 176.600 0.174 0.000 0.991 1249 E CA 2.139 58.662 56.400 0.205 0.000 0.802 1249 E CB -0.359 29.586 29.700 0.408 0.000 0.759 1249 E HN 0.725 nan 8.360 nan 0.000 0.447 1250 T N -1.467 113.282 114.554 0.325 0.000 2.684 1250 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 1250 T C 2.205 176.908 174.700 0.006 0.000 1.036 1250 T CA 2.465 64.707 62.100 0.238 0.000 1.148 1250 T CB -1.480 67.555 68.868 0.279 0.000 0.863 1250 T HN 0.375 nan 8.240 nan 0.000 0.436 1251 T N 0.599 115.193 114.554 0.066 0.000 2.833 1251 T HA 0.100 4.450 4.350 -0.000 0.000 0.269 1251 T C 2.263 176.874 174.700 -0.148 0.000 1.054 1251 T CA 1.415 63.478 62.100 -0.062 0.000 1.135 1251 T CB -0.904 68.063 68.868 0.165 0.000 0.869 1251 T HN 0.586 nan 8.240 nan 0.000 0.466 1252 A N 0.152 122.918 122.820 -0.090 0.000 1.930 1252 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 1252 A C 2.129 179.480 177.584 -0.387 0.000 1.175 1252 A CA 1.283 53.183 52.037 -0.229 0.000 0.627 1252 A CB -1.130 17.699 19.000 -0.286 0.000 0.815 1252 A HN 0.600 nan 8.150 nan 0.000 0.443 1253 Y N 0.085 120.220 120.300 -0.276 0.000 2.181 1253 Y HA -0.111 4.439 4.550 -0.001 0.000 0.288 1253 Y C 2.900 178.625 175.900 -0.292 0.000 1.146 1253 Y CA 0.668 58.580 58.100 -0.314 0.000 1.164 1253 Y CB -0.797 37.492 38.460 -0.285 0.000 0.982 1253 Y HN 0.338 nan 8.280 nan 0.000 0.515 1254 A N 0.139 122.741 122.820 -0.364 0.000 1.834 1254 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 1254 A C 2.217 179.645 177.584 -0.261 0.000 1.203 1254 A CA 1.772 53.467 52.037 -0.571 0.000 0.621 1254 A CB -1.347 16.582 19.000 -1.785 0.000 0.841 1254 A HN 0.411 nan 8.150 nan 0.000 0.446 1255 L N -0.432 120.628 121.223 -0.272 0.000 2.151 1255 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 1255 L C 2.187 179.064 176.870 0.011 0.000 1.084 1255 L CA 1.865 56.671 54.840 -0.056 0.000 0.764 1255 L CB -0.378 41.658 42.059 -0.038 0.000 0.891 1255 L HN 0.443 nan 8.230 nan 0.000 0.435 1256 L N -1.880 119.312 121.223 -0.051 0.000 2.162 1256 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 1256 L C 2.273 179.318 176.870 0.292 0.000 1.086 1256 L CA 1.300 56.149 54.840 0.014 0.000 0.778 1256 L CB -0.669 41.135 42.059 -0.425 0.000 0.928 1256 L HN 0.294 nan 8.230 nan 0.000 0.446 1257 T N -0.649 114.094 114.554 0.315 0.000 2.595 1257 T HA -0.196 4.153 4.350 -0.000 0.000 0.264 1257 T C 2.073 176.921 174.700 0.247 0.000 1.058 1257 T CA 1.813 64.106 62.100 0.322 0.000 1.166 1257 T CB -0.295 68.715 68.868 0.236 0.000 0.863 1257 T HN 0.246 nan 8.240 nan 0.000 0.415 1258 S N 1.592 117.417 115.700 0.208 0.000 2.380 1258 S HA -0.121 4.348 4.470 -0.000 0.000 0.229 1258 S C 2.055 176.784 174.600 0.215 0.000 1.050 1258 S CA 1.245 59.585 58.200 0.232 0.000 1.100 1258 S CB -0.832 62.565 63.200 0.329 0.000 0.984 1258 S HN 0.318 nan 8.310 nan 0.000 0.434 1259 L N 1.567 122.915 121.223 0.207 0.000 2.189 1259 L HA -0.205 4.135 4.340 -0.000 0.000 0.214 1259 L C 2.346 179.320 176.870 0.174 0.000 1.097 1259 L CA 0.910 55.870 54.840 0.200 0.000 0.764 1259 L CB -0.548 41.631 42.059 0.200 0.000 0.900 1259 L HN 0.336 nan 8.230 nan 0.000 0.436 1260 N N 0.219 119.030 118.700 0.185 0.000 2.106 1260 N HA -0.079 4.660 4.740 -0.000 0.000 0.188 1260 N C 1.353 176.939 175.510 0.128 0.000 1.029 1260 N CA 1.055 54.195 53.050 0.150 0.000 0.848 1260 N CB -0.091 38.480 38.487 0.141 0.000 1.007 1260 N HN 0.293 nan 8.380 nan 0.000 0.423 1261 L N 2.058 123.373 121.223 0.153 0.000 2.777 1261 L HA 0.142 4.481 4.340 -0.000 0.000 0.244 1261 L C 0.241 177.177 176.870 0.110 0.000 1.235 1261 L CA -0.019 54.902 54.840 0.134 0.000 1.062 1261 L CB -0.518 41.635 42.059 0.156 0.000 1.340 1261 L HN 0.017 nan 8.230 nan 0.000 0.439 1262 K N -0.371 120.092 120.400 0.105 0.000 3.077 1262 K HA -0.270 4.050 4.320 -0.000 0.000 0.254 1262 K C 0.386 177.046 176.600 0.101 0.000 0.879 1262 K CA 0.631 56.973 56.287 0.091 0.000 0.647 1262 K CB -1.109 31.427 32.500 0.060 0.000 1.373 1262 K HN 0.365 nan 8.250 nan 0.000 0.478 1263 D N 0.991 121.473 120.400 0.136 0.000 2.403 1263 D HA 0.000 4.640 4.640 -0.000 0.000 0.260 1263 D C 1.503 177.916 176.300 0.187 0.000 1.243 1263 D CA 0.096 54.188 54.000 0.153 0.000 0.918 1263 D CB -0.217 40.704 40.800 0.202 0.000 0.939 1263 D HN 0.387 nan 8.370 nan 0.000 0.507 1264 I N 0.294 120.953 120.570 0.149 0.000 2.267 1264 I HA -0.483 3.686 4.170 -0.000 0.000 0.239 1264 I C 2.228 178.450 176.117 0.175 0.000 0.984 1264 I CA 1.282 62.672 61.300 0.151 0.000 1.272 1264 I CB -0.463 37.583 38.000 0.077 0.000 0.976 1264 I HN 0.200 nan 8.210 nan 0.000 0.407 1265 N N -0.267 118.516 118.700 0.138 0.000 2.120 1265 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 1265 N C 1.893 177.513 175.510 0.183 0.000 1.024 1265 N CA 1.430 54.554 53.050 0.124 0.000 0.852 1265 N CB -0.404 38.132 38.487 0.081 0.000 1.003 1265 N HN 0.373 nan 8.380 nan 0.000 0.424 1266 Y N 1.959 122.305 120.300 0.077 0.000 2.139 1266 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 1266 Y C 2.318 178.289 175.900 0.119 0.000 1.179 1266 Y CA 1.023 59.174 58.100 0.084 0.000 1.161 1266 Y CB -0.593 37.930 38.460 0.105 0.000 0.970 1266 Y HN -0.190 nan 8.280 nan 0.000 0.511 1267 V N 0.593 120.614 119.914 0.178 0.000 2.649 1267 V HA -0.222 3.897 4.120 -0.000 0.000 0.248 1267 V C 2.012 178.161 176.094 0.092 0.000 1.054 1267 V CA 1.417 63.788 62.300 0.118 0.000 1.073 1267 V CB -0.538 31.439 31.823 0.258 0.000 0.699 1267 V HN 0.446 nan 8.190 nan 0.000 0.463 1268 N N 1.069 119.862 118.700 0.154 0.000 2.055 1268 N HA -0.197 4.543 4.740 -0.000 0.000 0.200 1268 N C -0.572 175.028 175.510 0.150 0.000 1.037 1268 N CA 2.485 55.633 53.050 0.164 0.000 0.881 1268 N CB -2.170 36.355 38.487 0.062 0.000 1.075 1268 N HN 0.387 nan 8.380 nan 0.000 0.470 1269 P HA -0.020 nan 4.420 nan 0.000 0.222 1269 P C 1.800 179.202 177.300 0.169 0.000 1.147 1269 P CA 0.477 63.638 63.100 0.102 0.000 0.790 1269 P CB 0.043 31.739 31.700 -0.005 0.000 0.780 1270 V N 0.834 120.797 119.914 0.082 0.000 2.220 1270 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 1270 V C 2.411 178.634 176.094 0.216 0.000 1.049 1270 V CA 2.383 64.773 62.300 0.149 0.000 1.003 1270 V CB -1.259 30.624 31.823 0.100 0.000 0.634 1270 V HN 0.091 nan 8.190 nan 0.000 0.444 1271 I N 0.063 120.661 120.570 0.047 0.000 2.493 1271 I HA -0.165 4.005 4.170 -0.000 0.000 0.254 1271 I C 2.208 178.353 176.117 0.047 0.000 1.160 1271 I CA 2.073 63.344 61.300 -0.048 0.000 1.445 1271 I CB -0.794 36.938 38.000 -0.448 0.000 1.086 1271 I HN 0.233 nan 8.210 nan 0.000 0.433 1272 K N 0.387 120.880 120.400 0.155 0.000 2.152 1272 K HA -0.266 4.053 4.320 -0.000 0.000 0.206 1272 K C 1.939 178.738 176.600 0.330 0.000 1.048 1272 K CA 2.150 58.547 56.287 0.184 0.000 0.933 1272 K CB -0.780 31.878 32.500 0.263 0.000 0.721 1272 K HN 0.692 nan 8.250 nan 0.000 0.447 1273 W N 0.144 121.568 121.300 0.207 0.000 2.539 1273 W HA 0.085 4.744 4.660 -0.000 0.000 0.281 1273 W C 1.150 177.678 176.519 0.014 0.000 1.220 1273 W CA 0.300 57.712 57.345 0.112 0.000 1.332 1273 W CB 0.128 29.698 29.460 0.183 0.000 1.095 1273 W HN -0.019 nan 8.180 nan 0.000 0.571 1274 L N 0.171 121.590 121.223 0.326 0.000 1.961 1274 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 1274 L C 2.345 179.155 176.870 -0.100 0.000 1.072 1274 L CA 1.657 56.507 54.840 0.015 0.000 0.749 1274 L CB -1.413 40.715 42.059 0.115 0.000 0.889 1274 L HN -0.229 nan 8.230 nan 0.000 0.432 1275 S N -0.723 114.944 115.700 -0.055 0.000 2.872 1275 S HA -0.094 4.375 4.470 -0.000 0.000 0.240 1275 S C 0.904 175.459 174.600 -0.075 0.000 0.983 1275 S CA 0.720 58.884 58.200 -0.060 0.000 1.012 1275 S CB -0.497 62.643 63.200 -0.101 0.000 0.797 1275 S HN 0.357 nan 8.310 nan 0.000 0.540 1276 E N -1.295 118.822 120.200 -0.139 0.000 2.767 1276 E HA 0.063 4.413 4.350 -0.000 0.000 0.192 1276 E C 0.693 177.103 176.600 -0.317 0.000 0.938 1276 E CA 0.064 56.329 56.400 -0.225 0.000 1.312 1276 E CB 0.475 30.068 29.700 -0.180 0.000 1.072 1276 E HN 0.196 nan 8.360 nan 0.000 0.511 1277 E N 0.337 120.333 120.200 -0.340 0.000 2.290 1277 E HA 0.077 4.427 4.350 -0.000 0.000 0.195 1277 E C 0.084 176.502 176.600 -0.303 0.000 0.938 1277 E CA 0.397 56.513 56.400 -0.473 0.000 1.018 1277 E CB 0.337 29.545 29.700 -0.820 0.000 1.042 1277 E HN -0.079 nan 8.360 nan 0.000 0.483 1278 Q N 1.877 121.538 119.800 -0.231 0.000 2.394 1278 Q HA -0.084 4.255 4.340 -0.000 0.000 0.347 1278 Q C 0.025 175.958 176.000 -0.112 0.000 1.144 1278 Q CA 0.942 56.639 55.803 -0.176 0.000 1.050 1278 Q CB 0.154 28.813 28.738 -0.131 0.000 1.188 1278 Q HN 0.212 nan 8.270 nan 0.000 0.406 1279 R N 1.178 121.564 120.500 -0.190 0.000 2.691 1279 R HA 0.264 4.604 4.340 -0.000 0.000 0.259 1279 R C 0.028 176.149 176.300 -0.300 0.000 1.048 1279 R CA -0.941 55.045 56.100 -0.191 0.000 1.086 1279 R CB 0.643 30.768 30.300 -0.292 0.000 1.166 1279 R HN 0.686 nan 8.270 nan 0.000 0.526 1280 Y N 0.398 120.479 120.300 -0.365 0.000 2.881 1280 Y HA -0.143 4.407 4.550 -0.001 0.000 0.335 1280 Y C 1.158 176.921 175.900 -0.228 0.000 1.263 1280 Y CA 1.173 59.075 58.100 -0.330 0.000 1.572 1280 Y CB 0.154 38.519 38.460 -0.159 0.000 1.237 1280 Y HN 0.956 nan 8.280 nan 0.000 0.568 1281 G N 3.237 112.107 108.800 0.117 0.000 3.206 1281 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.217 1281 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.217 1281 G C 0.231 175.058 174.900 -0.122 0.000 1.350 1281 G CA -0.149 44.870 45.100 -0.136 0.000 0.836 1281 G HN 1.712 nan 8.290 nan 0.000 0.548 1282 G N -1.845 106.872 108.800 -0.139 0.000 2.561 1282 G HA2 0.599 4.559 3.960 -0.000 0.000 0.310 1282 G HA3 0.599 4.559 3.960 -0.000 0.000 0.310 1282 G C 0.682 175.524 174.900 -0.096 0.000 1.292 1282 G CA 0.882 45.920 45.100 -0.103 0.000 0.811 1282 G HN 1.585 nan 8.290 nan 0.000 0.482 1283 G N -0.398 108.354 108.800 -0.079 0.000 3.024 1283 G HA2 0.153 4.113 3.960 -0.000 0.000 0.202 1283 G HA3 0.153 4.113 3.960 -0.000 0.000 0.202 1283 G C 1.229 176.060 174.900 -0.116 0.000 1.195 1283 G CA 1.057 46.099 45.100 -0.096 0.000 0.924 1283 G HN 0.818 nan 8.290 nan 0.000 0.500 1284 F N 0.353 120.136 119.950 -0.279 0.000 2.084 1284 F HA -0.331 4.196 4.527 -0.001 0.000 0.240 1284 F C 0.893 176.600 175.800 -0.155 0.000 1.101 1284 F CA 1.332 59.169 58.000 -0.271 0.000 1.657 1284 F CB -0.909 37.864 39.000 -0.379 0.000 0.785 1284 F HN 0.297 nan 8.300 nan 0.000 0.430 1285 Y N 1.666 121.939 120.300 -0.044 0.000 2.650 1285 Y HA 0.352 4.902 4.550 -0.001 0.000 0.342 1285 Y C 0.964 176.736 175.900 -0.213 0.000 1.110 1285 Y CA 0.060 58.052 58.100 -0.180 0.000 1.438 1285 Y CB -0.322 38.117 38.460 -0.034 0.000 1.181 1285 Y HN 0.447 nan 8.280 nan 0.000 0.526 1286 S N 2.118 117.704 115.700 -0.190 0.000 2.865 1286 S HA -0.330 4.140 4.470 -0.000 0.000 0.630 1286 S C 1.365 175.877 174.600 -0.147 0.000 3.160 1286 S CA 2.192 60.245 58.200 -0.245 0.000 3.629 1286 S CB -1.077 61.997 63.200 -0.209 0.000 0.312 1286 S HN 0.940 nan 8.310 nan 0.000 1.632 1287 T N -1.758 112.740 114.554 -0.092 0.000 3.156 1287 T HA 0.247 4.597 4.350 -0.000 0.000 0.236 1287 T C 1.866 176.610 174.700 0.073 0.000 0.978 1287 T CA 0.676 62.780 62.100 0.007 0.000 1.240 1287 T CB -0.782 68.131 68.868 0.075 0.000 0.951 1287 T HN 0.558 nan 8.240 nan 0.000 0.420 1288 Q N 1.803 121.656 119.800 0.088 0.000 2.096 1288 Q HA -0.160 4.179 4.340 -0.000 0.000 0.204 1288 Q C 2.244 178.305 176.000 0.101 0.000 0.982 1288 Q CA 2.063 57.937 55.803 0.118 0.000 0.850 1288 Q CB -0.500 28.296 28.738 0.097 0.000 0.901 1288 Q HN 0.819 nan 8.270 nan 0.000 0.422 1289 D N -0.663 119.790 120.400 0.089 0.000 2.084 1289 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 1289 D C 1.596 177.895 176.300 -0.001 0.000 0.990 1289 D CA 1.580 55.608 54.000 0.046 0.000 0.826 1289 D CB -0.788 40.080 40.800 0.113 0.000 0.971 1289 D HN 0.066 nan 8.370 nan 0.000 0.453 1290 T N 1.394 115.960 114.554 0.020 0.000 2.822 1290 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 1290 T C 1.929 176.638 174.700 0.014 0.000 1.064 1290 T CA 0.873 62.973 62.100 -0.001 0.000 1.131 1290 T CB -0.325 68.539 68.868 -0.007 0.000 0.858 1290 T HN 0.295 nan 8.240 nan 0.000 0.483 1291 I N 0.655 121.266 120.570 0.068 0.000 2.353 1291 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 1291 I C 2.012 178.110 176.117 -0.031 0.000 1.119 1291 I CA 1.203 62.580 61.300 0.129 0.000 1.417 1291 I CB -0.039 38.114 38.000 0.253 0.000 1.078 1291 I HN 0.128 nan 8.210 nan 0.000 0.421 1292 N N 1.792 120.413 118.700 -0.131 0.000 2.092 1292 N HA -0.101 4.638 4.740 -0.000 0.000 0.189 1292 N C 1.975 177.311 175.510 -0.290 0.000 1.040 1292 N CA 1.749 54.614 53.050 -0.308 0.000 0.845 1292 N CB -0.687 37.477 38.487 -0.539 0.000 1.017 1292 N HN 0.431 nan 8.380 nan 0.000 0.426 1293 A N 2.051 124.747 122.820 -0.207 0.000 1.958 1293 A HA -0.149 4.170 4.320 -0.000 0.000 0.221 1293 A C 2.278 179.755 177.584 -0.178 0.000 1.178 1293 A CA 1.099 53.048 52.037 -0.146 0.000 0.642 1293 A CB -0.652 18.306 19.000 -0.070 0.000 0.816 1293 A HN 0.206 nan 8.150 nan 0.000 0.453 1294 I N -0.789 119.656 120.570 -0.209 0.000 2.163 1294 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 1294 I C 2.542 178.344 176.117 -0.526 0.000 1.081 1294 I CA 1.913 63.040 61.300 -0.288 0.000 1.353 1294 I CB -1.078 36.791 38.000 -0.217 0.000 1.054 1294 I HN 0.583 nan 8.210 nan 0.000 0.407 1295 E N 0.999 120.727 120.200 -0.787 0.000 2.049 1295 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 1295 E C 2.145 178.551 176.600 -0.324 0.000 1.007 1295 E CA 1.701 57.610 56.400 -0.818 0.000 0.809 1295 E CB -0.307 29.112 29.700 -0.468 0.000 0.749 1295 E HN 0.498 nan 8.360 nan 0.000 0.450 1296 G N 1.359 110.018 108.800 -0.235 0.000 2.739 1296 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.216 1296 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.216 1296 G C 1.472 176.353 174.900 -0.033 0.000 1.298 1296 G CA 1.322 46.361 45.100 -0.103 0.000 0.804 1296 G HN 0.300 nan 8.290 nan 0.000 0.623 1297 L N 0.763 121.942 121.223 -0.073 0.000 2.151 1297 L HA -0.244 4.096 4.340 -0.000 0.000 0.219 1297 L C 3.212 180.098 176.870 0.027 0.000 1.083 1297 L CA 2.534 57.350 54.840 -0.041 0.000 0.782 1297 L CB -0.649 41.357 42.059 -0.089 0.000 0.891 1297 L HN 0.391 nan 8.230 nan 0.000 0.439 1298 T N -2.334 112.203 114.554 -0.028 0.000 2.706 1298 T HA -0.168 4.182 4.350 -0.000 0.000 0.255 1298 T C 1.744 176.537 174.700 0.156 0.000 1.048 1298 T CA 1.018 63.153 62.100 0.058 0.000 1.153 1298 T CB -0.283 68.610 68.868 0.041 0.000 0.865 1298 T HN 0.174 nan 8.240 nan 0.000 0.414 1299 E N 0.530 120.811 120.200 0.134 0.000 2.130 1299 E HA -0.177 4.172 4.350 -0.000 0.000 0.196 1299 E C 1.782 178.488 176.600 0.175 0.000 0.998 1299 E CA 1.215 57.720 56.400 0.174 0.000 0.806 1299 E CB -0.439 29.360 29.700 0.165 0.000 0.738 1299 E HN 0.693 nan 8.360 nan 0.000 0.459 1300 Y N -0.543 119.797 120.300 0.066 0.000 2.293 1300 Y HA -0.091 4.459 4.550 -0.000 0.000 0.291 1300 Y C 2.204 178.151 175.900 0.079 0.000 1.137 1300 Y CA 1.529 59.674 58.100 0.074 0.000 1.202 1300 Y CB -0.122 38.383 38.460 0.075 0.000 0.990 1300 Y HN -0.046 nan 8.280 nan 0.000 0.537 1301 S N 0.126 115.987 115.700 0.267 0.000 2.522 1301 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 1301 S C 1.731 176.372 174.600 0.068 0.000 0.986 1301 S CA 0.589 58.898 58.200 0.181 0.000 0.929 1301 S CB -0.209 63.147 63.200 0.260 0.000 0.769 1301 S HN 0.448 nan 8.310 nan 0.000 0.529 1302 L N 0.782 122.036 121.223 0.052 0.000 2.084 1302 L HA 0.037 4.377 4.340 -0.000 0.000 0.202 1302 L C 2.347 179.178 176.870 -0.064 0.000 1.074 1302 L CA 0.646 55.472 54.840 -0.023 0.000 0.757 1302 L CB -0.386 41.670 42.059 -0.006 0.000 0.918 1302 L HN 0.322 nan 8.230 nan 0.000 0.444 1303 L N 0.279 121.458 121.223 -0.074 0.000 2.017 1303 L HA -0.009 4.330 4.340 -0.000 0.000 0.208 1303 L C 1.052 177.811 176.870 -0.184 0.000 1.073 1303 L CA 1.617 56.396 54.840 -0.103 0.000 0.745 1303 L CB -0.497 41.527 42.059 -0.058 0.000 0.894 1303 L HN -0.120 nan 8.230 nan 0.000 0.432 1304 V N 1.310 121.009 119.914 -0.359 0.000 2.686 1304 V HA 0.165 4.285 4.120 -0.000 0.000 0.295 1304 V C 0.580 176.566 176.094 -0.180 0.000 1.057 1304 V CA -0.699 61.402 62.300 -0.331 0.000 1.012 1304 V CB 1.206 32.665 31.823 -0.606 0.000 1.006 1304 V HN 0.255 nan 8.190 nan 0.000 0.477 1305 K N 2.461 122.799 120.400 -0.104 0.000 2.319 1305 K HA 0.150 4.470 4.320 -0.000 0.000 0.265 1305 K C 0.448 177.029 176.600 -0.031 0.000 1.000 1305 K CA 0.018 56.270 56.287 -0.058 0.000 0.943 1305 K CB 0.445 32.919 32.500 -0.043 0.000 0.950 1305 K HN 0.714 nan 8.250 nan 0.000 0.485 1306 Q N 0.961 120.752 119.800 -0.015 0.000 2.697 1306 Q HA 0.191 4.531 4.340 -0.000 0.000 0.196 1306 Q C -0.971 175.011 176.000 -0.031 0.000 1.121 1306 Q CA -0.066 55.721 55.803 -0.026 0.000 1.151 1306 Q CB 0.403 29.109 28.738 -0.054 0.000 1.250 1306 Q HN 0.285 nan 8.270 nan 0.000 0.658 1307 L N 0.939 122.128 121.223 -0.057 0.000 2.573 1307 L HA 0.304 4.643 4.340 -0.000 0.000 0.260 1307 L C -0.670 176.144 176.870 -0.093 0.000 0.997 1307 L CA -0.386 54.421 54.840 -0.054 0.000 0.890 1307 L CB 1.221 43.268 42.059 -0.021 0.000 1.179 1307 L HN 0.503 nan 8.230 nan 0.000 0.439 1308 R N 2.835 123.281 120.500 -0.089 0.000 3.958 1308 R HA -0.087 4.253 4.340 -0.000 0.000 0.186 1308 R C -0.789 175.441 176.300 -0.115 0.000 0.520 1308 R CA 0.364 56.404 56.100 -0.100 0.000 0.917 1308 R CB -0.081 30.178 30.300 -0.069 0.000 1.014 1308 R HN 0.633 nan 8.270 nan 0.000 0.296 1309 L N 4.182 125.315 121.223 -0.150 0.000 2.455 1309 L HA 0.069 4.409 4.340 -0.000 0.000 0.272 1309 L C 0.913 177.725 176.870 -0.096 0.000 1.174 1309 L CA 0.620 55.377 54.840 -0.139 0.000 0.869 1309 L CB 1.288 43.239 42.059 -0.179 0.000 1.130 1309 L HN 0.863 nan 8.230 nan 0.000 0.474 1310 S N 3.525 119.162 115.700 -0.105 0.000 2.530 1310 S HA 0.294 4.764 4.470 -0.000 0.000 0.203 1310 S C -0.188 174.339 174.600 -0.122 0.000 0.787 1310 S CA -0.658 57.486 58.200 -0.093 0.000 1.015 1310 S CB 0.049 63.196 63.200 -0.089 0.000 1.687 1310 S HN 0.521 nan 8.310 nan 0.000 0.484 1311 M N 1.402 120.929 119.600 -0.122 0.000 1.782 1311 M HA 0.351 4.831 4.480 -0.000 0.000 0.199 1311 M C 0.230 176.455 176.300 -0.125 0.000 1.314 1311 M CA 0.453 55.674 55.300 -0.131 0.000 0.877 1311 M CB 0.252 32.771 32.600 -0.134 0.000 1.222 1311 M HN 0.287 nan 8.290 nan 0.000 0.419 1312 D N 0.551 120.867 120.400 -0.141 0.000 3.118 1312 D HA 0.268 4.908 4.640 -0.000 0.000 0.286 1312 D C -0.929 175.261 176.300 -0.182 0.000 1.255 1312 D CA -0.094 53.825 54.000 -0.135 0.000 0.748 1312 D CB 0.282 41.039 40.800 -0.071 0.000 1.332 1312 D HN 0.313 nan 8.370 nan 0.000 0.575 1313 I N 0.321 120.692 120.570 -0.331 0.000 2.993 1313 I HA 0.172 4.341 4.170 -0.000 0.000 0.286 1313 I C 0.545 176.502 176.117 -0.267 0.000 1.215 1313 I CA 0.482 61.576 61.300 -0.344 0.000 1.393 1313 I CB 0.687 38.355 38.000 -0.552 0.000 1.371 1313 I HN 0.200 nan 8.210 nan 0.000 0.602 1314 D N 4.284 124.579 120.400 -0.174 0.000 2.616 1314 D HA 0.201 4.840 4.640 -0.000 0.000 0.238 1314 D C -1.599 174.613 176.300 -0.148 0.000 1.354 1314 D CA -0.276 53.649 54.000 -0.126 0.000 0.970 1314 D CB 2.311 43.064 40.800 -0.078 0.000 1.369 1314 D HN 0.294 nan 8.370 nan 0.000 0.585 1315 V N 2.916 122.685 119.914 -0.241 0.000 2.509 1315 V HA 0.740 4.860 4.120 -0.000 0.000 0.284 1315 V C -0.778 175.140 176.094 -0.294 0.000 1.047 1315 V CA 0.218 62.337 62.300 -0.301 0.000 0.952 1315 V CB 1.427 32.981 31.823 -0.447 0.000 0.988 1315 V HN 0.605 nan 8.190 nan 0.000 0.469 1316 S N 4.235 119.768 115.700 -0.278 0.000 2.542 1316 S HA 0.536 5.006 4.470 -0.000 0.000 0.276 1316 S C -1.587 172.868 174.600 -0.241 0.000 1.148 1316 S CA -0.539 57.533 58.200 -0.213 0.000 0.886 1316 S CB 1.067 64.216 63.200 -0.086 0.000 1.109 1316 S HN 0.643 nan 8.310 nan 0.000 0.458 1317 Y N 3.180 123.472 120.300 -0.013 0.000 2.335 1317 Y HA 0.284 4.834 4.550 -0.000 0.000 0.331 1317 Y C 1.607 177.479 175.900 -0.048 0.000 1.094 1317 Y CA -0.079 58.020 58.100 -0.001 0.000 1.253 1317 Y CB 0.957 39.432 38.460 0.025 0.000 1.203 1317 Y HN 0.866 nan 8.280 nan 0.000 0.508 1318 K N 1.557 121.978 120.400 0.035 0.000 2.059 1318 K HA -0.272 4.047 4.320 -0.000 0.000 0.212 1318 K C 0.512 176.891 176.600 -0.367 0.000 1.050 1318 K CA 2.591 58.747 56.287 -0.219 0.000 0.927 1318 K CB -0.067 32.210 32.500 -0.372 0.000 0.714 1318 K HN 0.902 nan 8.250 nan 0.000 0.447 1319 H N -1.529 117.591 119.070 0.083 0.000 2.594 1319 H HA 0.224 4.779 4.556 -0.000 0.000 0.274 1319 H C 0.104 175.454 175.328 0.036 0.000 0.982 1319 H CA -0.078 55.994 56.048 0.040 0.000 1.228 1319 H CB 0.049 29.815 29.762 0.006 0.000 1.447 1319 H HN -0.031 nan 8.280 nan 0.000 0.485 1320 K N 2.044 122.537 120.400 0.156 0.000 2.319 1320 K HA 0.152 4.472 4.320 -0.000 0.000 0.265 1320 K C 0.786 177.449 176.600 0.105 0.000 1.000 1320 K CA 0.277 56.595 56.287 0.051 0.000 0.943 1320 K CB 0.246 32.652 32.500 -0.157 0.000 0.950 1320 K HN 0.315 nan 8.250 nan 0.000 0.485 1321 G N 1.547 110.385 108.800 0.064 0.000 2.818 1321 G HA2 0.227 4.187 3.960 -0.000 0.000 0.235 1321 G HA3 0.227 4.187 3.960 -0.000 0.000 0.235 1321 G C -0.500 174.489 174.900 0.147 0.000 1.244 1321 G CA -0.019 45.130 45.100 0.081 0.000 0.853 1321 G HN 0.884 nan 8.290 nan 0.000 0.596 1322 A N 0.362 123.247 122.820 0.109 0.000 2.520 1322 A HA 0.422 4.742 4.320 -0.000 0.000 0.245 1322 A C 0.515 178.185 177.584 0.144 0.000 1.072 1322 A CA -0.158 51.941 52.037 0.104 0.000 0.761 1322 A CB 0.362 19.395 19.000 0.055 0.000 1.004 1322 A HN 1.175 nan 8.150 nan 0.000 0.499 1323 L N 2.730 124.037 121.223 0.140 0.000 2.744 1323 L HA 0.518 4.858 4.340 -0.000 0.000 0.218 1323 L C 0.934 177.832 176.870 0.046 0.000 1.190 1323 L CA -0.093 54.825 54.840 0.131 0.000 0.869 1323 L CB -0.012 42.100 42.059 0.087 0.000 1.652 1323 L HN 0.900 nan 8.230 nan 0.000 0.519 1324 H N 0.346 119.445 119.070 0.049 0.000 2.822 1324 H HA 0.376 4.932 4.556 -0.001 0.000 0.373 1324 H C -0.934 174.462 175.328 0.113 0.000 1.223 1324 H CA 0.088 56.175 56.048 0.065 0.000 1.436 1324 H CB -0.093 29.688 29.762 0.032 0.000 1.439 1324 H HN 0.669 nan 8.280 nan 0.000 0.618 1325 N N 1.479 120.341 118.700 0.270 0.000 2.648 1325 N HA 0.149 4.888 4.740 -0.000 0.000 0.272 1325 N C -1.907 173.789 175.510 0.310 0.000 1.118 1325 N CA -0.812 52.361 53.050 0.204 0.000 0.973 1325 N CB 1.043 39.554 38.487 0.040 0.000 1.565 1325 N HN 0.865 nan 8.380 nan 0.000 0.542 1326 Y N -1.106 119.246 120.300 0.087 0.000 2.457 1326 Y HA 0.527 5.076 4.550 -0.000 0.000 0.343 1326 Y C -0.164 175.762 175.900 0.045 0.000 0.994 1326 Y CA -1.254 56.890 58.100 0.073 0.000 1.031 1326 Y CB 1.556 40.071 38.460 0.092 0.000 1.246 1326 Y HN 0.393 nan 8.280 nan 0.000 0.449 1327 K N 4.670 125.118 120.400 0.080 0.000 2.361 1327 K HA 0.110 4.429 4.320 -0.000 0.000 0.283 1327 K C -0.368 176.271 176.600 0.065 0.000 1.078 1327 K CA 0.020 56.318 56.287 0.018 0.000 1.041 1327 K CB 0.232 32.757 32.500 0.042 0.000 0.932 1327 K HN 0.917 nan 8.250 nan 0.000 0.462 1328 M N 4.386 123.969 119.600 -0.028 0.000 2.249 1328 M HA 0.205 4.685 4.480 -0.000 0.000 0.351 1328 M C -0.723 175.606 176.300 0.049 0.000 1.180 1328 M CA 0.385 55.715 55.300 0.049 0.000 1.127 1328 M CB 1.011 33.592 32.600 -0.032 0.000 1.546 1328 M HN 0.822 nan 8.290 nan 0.000 0.461 1329 T N -0.539 114.080 114.554 0.108 0.000 2.718 1329 T HA 0.290 4.640 4.350 -0.000 0.000 0.306 1329 T C -0.291 174.493 174.700 0.141 0.000 1.485 1329 T CA -0.969 61.180 62.100 0.081 0.000 0.997 1329 T CB 0.762 69.680 68.868 0.083 0.000 1.504 1329 T HN 0.657 nan 8.240 nan 0.000 0.497 1330 D N 0.100 120.548 120.400 0.079 0.000 2.378 1330 D HA -0.011 4.629 4.640 -0.000 0.000 0.227 1330 D C 1.368 177.830 176.300 0.270 0.000 1.012 1330 D CA 0.378 54.453 54.000 0.124 0.000 0.905 1330 D CB 0.234 41.028 40.800 -0.010 0.000 0.895 1330 D HN 0.285 nan 8.370 nan 0.000 0.532 1331 K N 1.537 122.067 120.400 0.217 0.000 1.974 1331 K HA -0.033 4.287 4.320 -0.000 0.000 0.211 1331 K C 1.214 178.035 176.600 0.368 0.000 1.039 1331 K CA 0.659 57.099 56.287 0.255 0.000 0.947 1331 K CB -0.699 31.960 32.500 0.264 0.000 0.735 1331 K HN 0.271 nan 8.250 nan 0.000 0.441 1332 N N 0.659 119.514 118.700 0.258 0.000 2.419 1332 N HA 0.106 4.846 4.740 -0.000 0.000 0.277 1332 N C -0.010 175.631 175.510 0.218 0.000 1.006 1332 N CA -0.336 52.789 53.050 0.125 0.000 0.923 1332 N CB 1.122 39.649 38.487 0.067 0.000 1.140 1332 N HN 0.141 nan 8.380 nan 0.000 0.488 1333 F N -0.046 119.936 119.950 0.053 0.000 2.815 1333 F HA 0.342 4.869 4.527 -0.000 0.000 0.328 1333 F C 0.725 176.545 175.800 0.034 0.000 0.982 1333 F CA -0.683 57.345 58.000 0.046 0.000 1.154 1333 F CB 0.331 39.333 39.000 0.003 0.000 0.980 1333 F HN 0.094 nan 8.300 nan 0.000 0.603 1334 L N 2.570 123.580 121.223 -0.354 0.000 2.998 1334 L HA 0.440 4.780 4.340 -0.000 0.000 0.234 1334 L C 0.952 177.736 176.870 -0.143 0.000 1.350 1334 L CA 0.172 54.879 54.840 -0.221 0.000 1.202 1334 L CB -1.634 40.234 42.059 -0.318 0.000 1.583 1334 L HN 0.270 nan 8.230 nan 0.000 0.456 1335 G N 1.708 110.456 108.800 -0.088 0.000 2.846 1335 G HA2 0.004 3.963 3.960 -0.000 0.000 0.257 1335 G HA3 0.004 3.963 3.960 -0.000 0.000 0.257 1335 G C 0.570 175.376 174.900 -0.158 0.000 1.253 1335 G CA -0.480 44.537 45.100 -0.140 0.000 0.918 1335 G HN 0.703 nan 8.290 nan 0.000 0.597 1336 R N -0.010 120.360 120.500 -0.217 0.000 2.694 1336 R HA 0.371 4.711 4.340 -0.000 0.000 0.268 1336 R C -2.447 173.737 176.300 -0.193 0.000 1.061 1336 R CA -0.942 55.042 56.100 -0.193 0.000 1.133 1336 R CB -0.375 29.781 30.300 -0.241 0.000 1.020 1336 R HN 0.245 nan 8.270 nan 0.000 0.475 1337 P HA 0.241 nan 4.420 nan 0.000 0.289 1337 P C -1.018 176.194 177.300 -0.147 0.000 1.299 1337 P CA -0.674 62.312 63.100 -0.190 0.000 0.766 1337 P CB 0.654 32.241 31.700 -0.189 0.000 1.226 1338 V N -0.246 119.599 119.914 -0.114 0.000 2.737 1338 V HA 0.117 4.237 4.120 -0.000 0.000 0.298 1338 V C -0.797 175.278 176.094 -0.030 0.000 1.163 1338 V CA -0.490 61.778 62.300 -0.053 0.000 0.925 1338 V CB 1.786 33.630 31.823 0.035 0.000 1.037 1338 V HN 0.456 nan 8.190 nan 0.000 0.433 1339 E N 3.136 123.335 120.200 -0.001 0.000 2.223 1339 E HA 0.379 4.728 4.350 -0.000 0.000 0.282 1339 E C -0.592 176.038 176.600 0.050 0.000 1.046 1339 E CA -0.293 56.118 56.400 0.018 0.000 0.857 1339 E CB 1.814 31.534 29.700 0.032 0.000 1.055 1339 E HN 0.456 nan 8.360 nan 0.000 0.409 1340 V N 6.351 126.290 119.914 0.042 0.000 2.405 1340 V HA -0.052 4.068 4.120 -0.000 0.000 0.264 1340 V C 0.965 177.169 176.094 0.182 0.000 1.048 1340 V CA -0.032 62.335 62.300 0.112 0.000 0.966 1340 V CB 0.730 32.572 31.823 0.030 0.000 1.015 1340 V HN 0.734 nan 8.190 nan 0.000 0.477 1341 L N 5.290 126.657 121.223 0.240 0.000 2.062 1341 L HA 0.183 4.523 4.340 -0.000 0.000 0.202 1341 L C 1.078 178.034 176.870 0.143 0.000 1.079 1341 L CA 1.455 56.383 54.840 0.146 0.000 0.755 1341 L CB -0.541 41.571 42.059 0.088 0.000 0.913 1341 L HN 0.434 nan 8.230 nan 0.000 0.445 1342 L N 0.230 121.489 121.223 0.061 0.000 2.476 1342 L HA 0.023 4.363 4.340 -0.000 0.000 0.264 1342 L C 0.633 177.579 176.870 0.128 0.000 1.224 1342 L CA 0.044 54.820 54.840 -0.106 0.000 0.821 1342 L CB -0.182 41.523 42.059 -0.590 0.000 1.101 1342 L HN 0.236 nan 8.230 nan 0.000 0.488 1343 N N 1.595 120.325 118.700 0.049 0.000 2.968 1343 N HA 0.134 4.874 4.740 -0.000 0.000 0.271 1343 N C -1.038 174.303 175.510 -0.281 0.000 1.174 1343 N CA 0.005 53.052 53.050 -0.006 0.000 1.096 1343 N CB 0.252 38.669 38.487 -0.117 0.000 1.403 1343 N HN 0.512 nan 8.380 nan 0.000 0.522 1344 D N 0.538 120.964 120.400 0.044 0.000 2.622 1344 D HA 0.164 4.803 4.640 -0.000 0.000 0.255 1344 D C -1.498 175.012 176.300 0.349 0.000 1.246 1344 D CA -0.534 53.554 54.000 0.146 0.000 0.795 1344 D CB 1.730 42.691 40.800 0.268 0.000 1.369 1344 D HN 0.086 nan 8.370 nan 0.000 0.425 1345 D N 0.848 121.414 120.400 0.278 0.000 2.390 1345 D HA 0.273 4.913 4.640 -0.000 0.000 0.249 1345 D C 0.069 176.477 176.300 0.181 0.000 1.144 1345 D CA -0.200 53.945 54.000 0.242 0.000 0.880 1345 D CB 0.650 41.545 40.800 0.158 0.000 1.182 1345 D HN 0.114 nan 8.370 nan 0.000 0.451 1346 L N 2.461 123.775 121.223 0.151 0.000 2.421 1346 L HA 0.512 4.852 4.340 -0.000 0.000 0.263 1346 L C -0.635 176.287 176.870 0.086 0.000 1.122 1346 L CA -0.310 54.535 54.840 0.009 0.000 0.804 1346 L CB 0.711 42.720 42.059 -0.084 0.000 1.150 1346 L HN 0.403 nan 8.230 nan 0.000 0.457 1347 I N 4.080 124.649 120.570 -0.002 0.000 2.576 1347 I HA 0.228 4.397 4.170 -0.000 0.000 0.279 1347 I C -0.706 175.418 176.117 0.011 0.000 1.114 1347 I CA -0.814 60.515 61.300 0.049 0.000 1.076 1347 I CB 1.384 39.379 38.000 -0.007 0.000 1.212 1347 I HN 0.146 nan 8.210 nan 0.000 0.472 1348 V N 4.062 124.037 119.914 0.102 0.000 2.763 1348 V HA 0.270 4.390 4.120 -0.000 0.000 0.306 1348 V C 0.858 176.958 176.094 0.010 0.000 1.059 1348 V CA 0.283 62.607 62.300 0.039 0.000 1.138 1348 V CB 1.164 33.062 31.823 0.125 0.000 0.940 1348 V HN 0.984 nan 8.190 nan 0.000 0.489 1349 S N 0.772 116.451 115.700 -0.034 0.000 2.753 1349 S HA 0.082 4.552 4.470 -0.000 0.000 0.147 1349 S C -0.329 174.243 174.600 -0.047 0.000 0.980 1349 S CA -0.217 57.962 58.200 -0.034 0.000 1.044 1349 S CB -0.003 63.179 63.200 -0.029 0.000 1.715 1349 S HN 0.834 nan 8.310 nan 0.000 0.515 1350 T N 2.116 116.634 114.554 -0.059 0.000 2.923 1350 T HA 0.377 4.727 4.350 -0.000 0.000 0.309 1350 T C 1.340 176.025 174.700 -0.025 0.000 1.059 1350 T CA 1.289 63.350 62.100 -0.066 0.000 1.133 1350 T CB -0.093 68.731 68.868 -0.074 0.000 1.053 1350 T HN 0.881 nan 8.240 nan 0.000 0.530 1351 G N 3.227 112.013 108.800 -0.022 0.000 2.441 1351 G HA2 0.265 4.224 3.960 -0.000 0.000 0.258 1351 G HA3 0.265 4.224 3.960 -0.000 0.000 0.258 1351 G C 0.463 175.420 174.900 0.094 0.000 1.487 1351 G CA -0.065 45.054 45.100 0.030 0.000 1.058 1351 G HN 0.695 nan 8.290 nan 0.000 0.552 1352 F N 1.218 121.152 119.950 -0.026 0.000 1.994 1352 F HA 0.327 4.854 4.527 -0.001 0.000 0.293 1352 F C 1.888 177.674 175.800 -0.023 0.000 1.276 1352 F CA 1.793 59.780 58.000 -0.021 0.000 1.153 1352 F CB -0.897 38.093 39.000 -0.016 0.000 0.968 1352 F HN 1.117 nan 8.300 nan 0.000 0.496 1353 G N -0.160 108.212 108.800 -0.715 0.000 2.569 1353 G HA2 0.019 3.979 3.960 -0.000 0.000 0.259 1353 G HA3 0.019 3.979 3.960 -0.000 0.000 0.259 1353 G C -0.431 174.054 174.900 -0.690 0.000 1.263 1353 G CA 0.805 45.549 45.100 -0.594 0.000 0.928 1353 G HN 1.764 nan 8.290 nan 0.000 0.572 1354 S N -1.573 113.913 115.700 -0.356 0.000 2.565 1354 S HA 0.860 5.330 4.470 -0.000 0.000 0.274 1354 S C 0.458 174.966 174.600 -0.153 0.000 1.144 1354 S CA 0.802 58.851 58.200 -0.251 0.000 0.849 1354 S CB 1.265 64.328 63.200 -0.229 0.000 1.103 1354 S HN 3.363 nan 8.310 nan 0.000 0.455 1355 G N 0.682 109.419 108.800 -0.105 0.000 2.447 1355 G HA2 0.172 4.132 3.960 -0.000 0.000 0.220 1355 G HA3 0.172 4.132 3.960 -0.000 0.000 0.220 1355 G C -1.722 173.139 174.900 -0.065 0.000 1.261 1355 G CA -0.446 44.601 45.100 -0.089 0.000 1.000 1355 G HN 1.509 nan 8.290 nan 0.000 0.515 1356 L N 0.449 121.622 121.223 -0.084 0.000 2.504 1356 L HA 0.691 5.031 4.340 -0.000 0.000 0.265 1356 L C 0.292 177.109 176.870 -0.087 0.000 0.975 1356 L CA -0.344 54.447 54.840 -0.082 0.000 0.864 1356 L CB 1.699 43.703 42.059 -0.092 0.000 1.212 1356 L HN 1.366 nan 8.230 nan 0.000 0.416 1357 A N 1.523 124.302 122.820 -0.067 0.000 2.287 1357 A HA 0.680 5.000 4.320 -0.000 0.000 0.317 1357 A C 0.146 177.713 177.584 -0.028 0.000 1.220 1357 A CA -0.501 51.514 52.037 -0.036 0.000 0.835 1357 A CB 0.821 19.803 19.000 -0.029 0.000 1.180 1357 A HN 0.585 nan 8.150 nan 0.000 0.500 1358 T N 0.707 115.261 114.554 0.000 0.000 2.739 1358 T HA 0.437 4.786 4.350 -0.000 0.000 0.298 1358 T C -0.101 174.626 174.700 0.044 0.000 0.929 1358 T CA -0.457 61.649 62.100 0.010 0.000 1.014 1358 T CB 0.184 69.102 68.868 0.084 0.000 0.914 1358 T HN 0.361 nan 8.240 nan 0.000 0.509 1359 V N 5.279 125.182 119.914 -0.018 0.000 2.405 1359 V HA 0.249 4.369 4.120 -0.000 0.000 0.264 1359 V C -0.018 176.005 176.094 -0.118 0.000 1.048 1359 V CA -0.424 61.872 62.300 -0.006 0.000 0.966 1359 V CB -0.794 31.071 31.823 0.071 0.000 1.015 1359 V HN 0.880 nan 8.190 nan 0.000 0.477 1360 H N 2.578 121.608 119.070 -0.067 0.000 2.573 1360 H HA 0.745 5.301 4.556 -0.001 0.000 0.351 1360 H C -0.571 174.652 175.328 -0.176 0.000 1.163 1360 H CA -0.703 55.300 56.048 -0.075 0.000 1.205 1360 H CB 2.133 31.860 29.762 -0.059 0.000 1.605 1360 H HN 0.345 nan 8.280 nan 0.000 0.525 1361 V N 2.227 122.118 119.914 -0.038 0.000 2.629 1361 V HA 0.118 4.238 4.120 -0.000 0.000 0.263 1361 V C -0.461 175.567 176.094 -0.110 0.000 0.959 1361 V CA -0.410 61.769 62.300 -0.201 0.000 0.869 1361 V CB 1.493 32.980 31.823 -0.559 0.000 1.060 1361 V HN 0.876 nan 8.190 nan 0.000 0.474 1362 T N 3.401 117.933 114.554 -0.036 0.000 2.727 1362 T HA 0.398 4.747 4.350 -0.000 0.000 0.298 1362 T C 0.195 174.878 174.700 -0.027 0.000 0.942 1362 T CA 0.120 62.211 62.100 -0.015 0.000 0.997 1362 T CB 0.513 69.425 68.868 0.072 0.000 0.917 1362 T HN 0.805 nan 8.240 nan 0.000 0.487 1363 T N 3.814 118.323 114.554 -0.074 0.000 2.756 1363 T HA 0.578 4.928 4.350 -0.000 0.000 0.290 1363 T C -0.260 174.417 174.700 -0.039 0.000 0.985 1363 T CA -0.667 61.392 62.100 -0.069 0.000 0.955 1363 T CB 0.642 69.440 68.868 -0.117 0.000 0.930 1363 T HN 0.331 nan 8.240 nan 0.000 0.451 1364 V N 5.289 125.205 119.914 0.003 0.000 2.481 1364 V HA 0.751 4.871 4.120 -0.000 0.000 0.286 1364 V C -0.013 176.123 176.094 0.070 0.000 1.042 1364 V CA -0.401 61.921 62.300 0.037 0.000 0.928 1364 V CB 1.522 33.390 31.823 0.075 0.000 0.986 1364 V HN 0.868 nan 8.190 nan 0.000 0.462 1365 V N 3.964 123.931 119.914 0.089 0.000 3.087 1365 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 1365 V C -1.572 174.655 176.094 0.220 0.000 1.187 1365 V CA -0.672 61.727 62.300 0.166 0.000 0.999 1365 V CB 2.728 34.593 31.823 0.071 0.000 1.049 1365 V HN 0.985 nan 8.190 nan 0.000 0.431 1366 H N 3.902 122.995 119.070 0.039 0.000 2.476 1366 H HA 0.602 5.158 4.556 -0.000 0.000 0.328 1366 H C -0.146 175.228 175.328 0.077 0.000 1.073 1366 H CA -0.664 55.423 56.048 0.065 0.000 1.229 1366 H CB 1.104 30.908 29.762 0.070 0.000 1.432 1366 H HN 0.626 nan 8.280 nan 0.000 0.477 1367 K N -0.100 120.415 120.400 0.192 0.000 2.211 1367 K HA 0.394 4.714 4.320 -0.000 0.000 0.237 1367 K C 0.474 177.219 176.600 0.242 0.000 1.002 1367 K CA -0.751 55.641 56.287 0.174 0.000 0.885 1367 K CB 1.218 33.794 32.500 0.126 0.000 1.136 1367 K HN 0.532 nan 8.250 nan 0.000 0.448 1368 T N -2.584 112.096 114.554 0.211 0.000 3.086 1368 T HA 0.161 4.511 4.350 -0.000 0.000 0.250 1368 T C -0.041 174.890 174.700 0.384 0.000 1.074 1368 T CA -0.171 62.070 62.100 0.234 0.000 0.988 1368 T CB -0.104 68.825 68.868 0.101 0.000 0.988 1368 T HN 0.444 nan 8.240 nan 0.000 0.530 1369 S N -0.785 115.113 115.700 0.331 0.000 2.550 1369 S HA 0.495 4.965 4.470 -0.000 0.000 0.270 1369 S C 0.141 174.823 174.600 0.137 0.000 1.145 1369 S CA -0.783 57.584 58.200 0.278 0.000 0.852 1369 S CB 1.943 65.249 63.200 0.176 0.000 1.119 1369 S HN 0.131 nan 8.310 nan 0.000 0.465 1370 T N 1.189 115.799 114.554 0.094 0.000 2.990 1370 T HA 0.026 4.376 4.350 -0.000 0.000 0.249 1370 T C 2.205 176.932 174.700 0.045 0.000 1.039 1370 T CA 0.808 62.921 62.100 0.022 0.000 1.036 1370 T CB -0.137 68.706 68.868 -0.042 0.000 0.994 1370 T HN 0.754 nan 8.240 nan 0.000 0.489 1371 S N 3.178 118.922 115.700 0.073 0.000 2.408 1371 S HA -0.400 4.070 4.470 -0.000 0.000 0.241 1371 S C 1.875 176.504 174.600 0.049 0.000 1.080 1371 S CA 2.236 60.475 58.200 0.065 0.000 1.109 1371 S CB -0.799 62.445 63.200 0.073 0.000 0.966 1371 S HN 0.847 nan 8.310 nan 0.000 0.449 1372 E N 2.229 122.458 120.200 0.048 0.000 2.013 1372 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 1372 E C 0.916 177.533 176.600 0.028 0.000 1.018 1372 E CA 1.080 57.503 56.400 0.039 0.000 0.834 1372 E CB -0.924 28.802 29.700 0.044 0.000 0.770 1372 E HN 0.749 nan 8.360 nan 0.000 0.459 1373 E N 0.871 121.085 120.200 0.024 0.000 2.521 1373 E HA -0.002 4.348 4.350 -0.000 0.000 0.269 1373 E C -0.578 176.025 176.600 0.005 0.000 1.182 1373 E CA 0.116 56.524 56.400 0.013 0.000 1.053 1373 E CB 0.470 30.174 29.700 0.006 0.000 1.013 1373 E HN 0.077 nan 8.360 nan 0.000 0.470 1374 V N 1.553 121.465 119.914 -0.003 0.000 2.364 1374 V HA 0.086 4.205 4.120 -0.000 0.000 0.272 1374 V C -0.061 176.016 176.094 -0.029 0.000 1.036 1374 V CA -0.782 61.507 62.300 -0.018 0.000 0.880 1374 V CB 0.926 32.735 31.823 -0.024 0.000 0.991 1374 V HN 0.719 nan 8.190 nan 0.000 0.460 1375 c N 4.291 122.865 118.600 -0.043 0.000 2.303 1375 c HA 0.316 4.886 4.570 -0.000 0.000 0.341 1375 c C 1.675 175.678 174.090 -0.144 0.000 1.244 1375 c CA -0.182 56.110 56.329 -0.062 0.000 1.765 1375 c CB 0.185 42.672 42.510 -0.039 0.000 2.379 1375 c HN 1.010 nan 8.230 nan 0.000 0.530 1376 S N 1.900 117.524 115.700 -0.126 0.000 2.524 1376 S HA 0.266 4.736 4.470 -0.000 0.000 0.215 1376 S C -0.197 174.122 174.600 -0.468 0.000 0.986 1376 S CA 0.133 58.180 58.200 -0.255 0.000 0.911 1376 S CB 0.092 63.194 63.200 -0.165 0.000 0.805 1376 S HN 0.649 nan 8.310 nan 0.000 0.501 1377 F N 0.950 120.808 119.950 -0.154 0.000 2.561 1377 F HA 0.461 4.987 4.527 -0.000 0.000 0.313 1377 F C -0.913 174.775 175.800 -0.187 0.000 1.126 1377 F CA -1.534 56.377 58.000 -0.148 0.000 0.918 1377 F CB 1.118 40.064 39.000 -0.091 0.000 1.199 1377 F HN -0.044 nan 8.300 nan 0.000 0.444 1378 Y N 4.331 124.694 120.300 0.105 0.000 2.393 1378 Y HA 0.525 5.074 4.550 -0.001 0.000 0.338 1378 Y C -0.006 175.969 175.900 0.126 0.000 1.029 1378 Y CA -0.402 57.740 58.100 0.069 0.000 1.239 1378 Y CB 0.440 38.903 38.460 0.004 0.000 1.170 1378 Y HN 0.310 nan 8.280 nan 0.000 0.515 1379 L N 4.608 126.054 121.223 0.372 0.000 2.323 1379 L HA 0.706 5.046 4.340 -0.000 0.000 0.265 1379 L C -0.856 176.279 176.870 0.442 0.000 1.012 1379 L CA -1.242 53.824 54.840 0.376 0.000 0.820 1379 L CB 2.493 44.621 42.059 0.114 0.000 1.334 1379 L HN 0.540 nan 8.230 nan 0.000 0.427 1380 K N 1.647 122.324 120.400 0.462 0.000 2.546 1380 K HA 0.739 5.059 4.320 -0.000 0.000 0.264 1380 K C -1.501 175.248 176.600 0.249 0.000 0.937 1380 K CA -0.783 55.674 56.287 0.283 0.000 0.833 1380 K CB 3.000 35.577 32.500 0.128 0.000 1.378 1380 K HN 0.530 nan 8.250 nan 0.000 0.432 1381 I N 1.476 122.138 120.570 0.154 0.000 2.842 1381 I HA 0.364 4.534 4.170 -0.000 0.000 0.297 1381 I C -2.188 173.980 176.117 0.084 0.000 1.380 1381 I CA -0.263 61.062 61.300 0.042 0.000 1.018 1381 I CB 2.302 40.258 38.000 -0.074 0.000 1.311 1381 I HN 1.061 nan 8.210 nan 0.000 0.439 1382 D N 2.920 123.348 120.400 0.047 0.000 2.725 1382 D HA 0.184 4.824 4.640 -0.000 0.000 0.292 1382 D C -1.309 174.991 176.300 -0.000 0.000 1.288 1382 D CA -0.382 53.658 54.000 0.068 0.000 0.784 1382 D CB 1.728 42.548 40.800 0.033 0.000 1.308 1382 D HN 0.376 nan 8.370 nan 0.000 0.429 1383 T N -1.017 113.520 114.554 -0.027 0.000 2.753 1383 T HA 0.465 4.815 4.350 -0.000 0.000 0.297 1383 T C 0.147 174.788 174.700 -0.099 0.000 0.981 1383 T CA -0.735 61.308 62.100 -0.095 0.000 0.956 1383 T CB 1.310 70.103 68.868 -0.126 0.000 0.936 1383 T HN 0.283 nan 8.240 nan 0.000 0.463 1384 Q N 1.898 121.630 119.800 -0.113 0.000 2.260 1384 Q HA 0.286 4.625 4.340 -0.000 0.000 0.238 1384 Q C 0.233 176.168 176.000 -0.109 0.000 0.948 1384 Q CA -0.890 54.856 55.803 -0.095 0.000 0.895 1384 Q CB 1.223 29.910 28.738 -0.084 0.000 1.218 1384 Q HN 0.618 nan 8.270 nan 0.000 0.470 1385 D N 0.315 120.666 120.400 -0.083 0.000 2.379 1385 D HA 0.115 4.755 4.640 -0.000 0.000 0.218 1385 D C 0.868 177.142 176.300 -0.043 0.000 1.006 1385 D CA 0.328 54.282 54.000 -0.077 0.000 0.893 1385 D CB 0.528 41.290 40.800 -0.063 0.000 1.019 1385 D HN 0.420 nan 8.370 nan 0.000 0.503 1400 K N 1.184 121.458 120.400 -0.209 0.000 2.587 1400 K HA 0.637 4.957 4.320 -0.000 0.000 0.276 1400 K C -1.512 174.950 176.600 -0.230 0.000 0.956 1400 K CA -1.086 55.029 56.287 -0.287 0.000 0.857 1400 K CB 2.970 35.199 32.500 -0.452 0.000 1.431 1400 K HN 0.338 nan 8.250 nan 0.000 0.420 1401 R N 2.483 122.845 120.500 -0.231 0.000 2.594 1401 R HA 0.397 4.737 4.340 -0.000 0.000 0.265 1401 R C -1.618 174.487 176.300 -0.325 0.000 1.070 1401 R CA -0.671 55.260 56.100 -0.281 0.000 0.909 1401 R CB 1.504 31.686 30.300 -0.196 0.000 1.243 1401 R HN 0.812 nan 8.270 nan 0.000 0.455 1402 I N 3.331 123.580 120.570 -0.536 0.000 2.365 1402 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 1402 I C -0.208 175.682 176.117 -0.378 0.000 1.004 1402 I CA -0.990 60.012 61.300 -0.498 0.000 1.311 1402 I CB 1.944 39.490 38.000 -0.757 0.000 1.401 1402 I HN 0.242 nan 8.210 nan 0.000 0.491 1403 V N 6.464 126.250 119.914 -0.214 0.000 2.289 1403 V HA 0.446 4.566 4.120 -0.000 0.000 0.272 1403 V C 0.285 176.309 176.094 -0.117 0.000 1.026 1403 V CA -0.445 61.779 62.300 -0.126 0.000 0.807 1403 V CB 1.145 32.924 31.823 -0.075 0.000 1.044 1403 V HN 0.829 nan 8.190 nan 0.000 0.443 1404 A N 4.142 126.865 122.820 -0.161 0.000 2.301 1404 A HA 0.810 5.130 4.320 -0.000 0.000 0.312 1404 A C -0.125 177.473 177.584 0.023 0.000 1.182 1404 A CA -0.268 51.610 52.037 -0.264 0.000 0.826 1404 A CB 0.761 19.279 19.000 -0.804 0.000 1.134 1404 A HN 0.813 nan 8.150 nan 0.000 0.501 1405 c N 0.381 119.117 118.600 0.227 0.000 3.044 1405 c HA 1.033 5.603 4.570 -0.000 0.000 0.315 1405 c C 0.284 174.707 174.090 0.555 0.000 1.320 1405 c CA -0.071 56.511 56.329 0.423 0.000 1.582 1405 c CB 1.293 44.100 42.510 0.495 0.000 2.039 1405 c HN 1.440 nan 8.230 nan 0.000 0.466 1406 A N 0.507 123.584 122.820 0.428 0.000 2.608 1406 A HA 0.884 5.204 4.320 -0.000 0.000 0.292 1406 A C -1.040 176.351 177.584 -0.322 0.000 1.066 1406 A CA -0.101 52.000 52.037 0.107 0.000 0.676 1406 A CB 1.424 20.458 19.000 0.057 0.000 1.277 1406 A HN 1.333 nan 8.150 nan 0.000 0.413 1407 S N -0.268 115.186 115.700 -0.410 0.000 2.549 1407 S HA 0.633 5.102 4.470 -0.000 0.000 0.280 1407 S C -1.653 173.051 174.600 0.174 0.000 1.109 1407 S CA -0.357 57.693 58.200 -0.249 0.000 0.905 1407 S CB 1.262 64.126 63.200 -0.560 0.000 1.081 1407 S HN 1.408 nan 8.310 nan 0.000 0.477 1408 Y N 3.583 123.904 120.300 0.034 0.000 2.336 1408 Y HA 0.447 4.996 4.550 -0.001 0.000 0.335 1408 Y C -0.166 175.571 175.900 -0.271 0.000 1.046 1408 Y CA -0.741 57.254 58.100 -0.174 0.000 1.198 1408 Y CB 0.493 38.884 38.460 -0.116 0.000 1.182 1408 Y HN 0.604 nan 8.280 nan 0.000 0.502 1409 K N 8.938 128.864 120.400 -0.789 0.000 2.273 1409 K HA 0.275 4.594 4.320 -0.000 0.000 0.287 1409 K C -2.582 173.336 176.600 -1.136 0.000 1.089 1409 K CA -1.627 54.172 56.287 -0.814 0.000 0.909 1409 K CB 0.392 32.419 32.500 -0.787 0.000 1.123 1409 K HN 0.455 nan 8.250 nan 0.000 0.473 1410 P HA 0.022 nan 4.420 nan 0.000 0.271 1410 P C -0.730 176.314 177.300 -0.425 0.000 1.216 1410 P CA -0.046 62.606 63.100 -0.747 0.000 0.771 1410 P CB 0.920 32.377 31.700 -0.406 0.000 0.864 1411 S N 2.619 118.134 115.700 -0.308 0.000 2.592 1411 S HA 0.211 4.681 4.470 -0.000 0.000 0.271 1411 S C 0.350 174.869 174.600 -0.135 0.000 1.326 1411 S CA -0.764 57.329 58.200 -0.179 0.000 1.024 1411 S CB 0.227 63.361 63.200 -0.109 0.000 0.921 1411 S HN 0.441 nan 8.310 nan 0.000 0.527 1412 R N 1.426 121.863 120.500 -0.105 0.000 2.678 1412 R HA 0.020 4.360 4.340 -0.000 0.000 0.264 1412 R C -0.116 176.136 176.300 -0.080 0.000 0.995 1412 R CA 0.231 56.279 56.100 -0.086 0.000 1.098 1412 R CB -0.176 30.082 30.300 -0.070 0.000 0.949 1412 R HN 0.711 nan 8.270 nan 0.000 0.422 1413 E N -1.878 118.274 120.200 -0.078 0.000 4.086 1413 E HA -0.228 4.122 4.350 -0.000 0.000 0.363 1413 E C -0.665 175.900 176.600 -0.058 0.000 0.616 1413 E CA 1.741 58.096 56.400 -0.075 0.000 1.293 1413 E CB -1.009 28.639 29.700 -0.087 0.000 1.747 1413 E HN 0.887 nan 8.360 nan 0.000 0.405 1414 E N 1.064 121.225 120.200 -0.066 0.000 2.349 1414 E HA 0.316 4.665 4.350 -0.000 0.000 0.265 1414 E C 0.030 176.602 176.600 -0.048 0.000 1.064 1414 E CA 0.124 56.491 56.400 -0.055 0.000 0.886 1414 E CB 1.052 30.710 29.700 -0.070 0.000 1.036 1414 E HN 0.105 nan 8.360 nan 0.000 0.413 1415 S N 0.757 116.443 115.700 -0.023 0.000 2.576 1415 S HA -0.004 4.465 4.470 -0.000 0.000 0.276 1415 S C 0.910 175.501 174.600 -0.015 0.000 1.339 1415 S CA -0.087 58.105 58.200 -0.013 0.000 1.039 1415 S CB 0.827 64.028 63.200 0.002 0.000 0.902 1415 S HN 0.541 nan 8.310 nan 0.000 0.516 1416 S N 2.454 118.147 115.700 -0.012 0.000 2.660 1416 S HA -0.027 4.442 4.470 -0.000 0.000 0.223 1416 S C 1.616 176.224 174.600 0.014 0.000 0.963 1416 S CA 0.460 58.654 58.200 -0.011 0.000 0.932 1416 S CB -0.686 62.509 63.200 -0.008 0.000 0.775 1416 S HN 0.860 nan 8.310 nan 0.000 0.531 1417 S N 0.895 116.611 115.700 0.027 0.000 2.428 1417 S HA 0.438 4.908 4.470 -0.000 0.000 0.230 1417 S C 1.323 175.961 174.600 0.063 0.000 1.014 1417 S CA 0.214 58.436 58.200 0.037 0.000 0.957 1417 S CB -0.922 62.294 63.200 0.027 0.000 0.784 1417 S HN 1.507 nan 8.310 nan 0.000 0.499 1418 G N 0.597 109.466 108.800 0.116 0.000 2.592 1418 G HA2 0.017 3.977 3.960 -0.000 0.000 0.684 1418 G HA3 0.017 3.977 3.960 -0.000 0.000 0.684 1418 G C -0.316 174.688 174.900 0.172 0.000 1.291 1418 G CA -0.347 44.887 45.100 0.224 0.000 0.891 1418 G HN 0.753 nan 8.290 nan 0.000 0.544 1419 S N -1.055 114.670 115.700 0.042 0.000 2.617 1419 S HA 0.616 5.085 4.470 -0.000 0.000 0.255 1419 S C 1.430 175.918 174.600 -0.186 0.000 1.318 1419 S CA 0.947 58.944 58.200 -0.338 0.000 0.978 1419 S CB 0.364 63.272 63.200 -0.488 0.000 0.961 1419 S HN 2.300 nan 8.310 nan 0.000 0.582 1420 S N 0.304 115.860 115.700 -0.241 0.000 2.713 1420 S HA 0.266 4.735 4.470 -0.000 0.000 0.277 1420 S C 0.144 174.644 174.600 -0.166 0.000 1.168 1420 S CA -0.552 57.520 58.200 -0.213 0.000 0.994 1420 S CB 0.003 63.065 63.200 -0.230 0.000 1.054 1420 S HN 0.923 nan 8.310 nan 0.000 0.555 1421 H N 0.685 119.540 119.070 -0.358 0.000 3.192 1421 H HA 0.332 4.888 4.556 -0.001 0.000 0.295 1421 H C -0.129 175.123 175.328 -0.127 0.000 0.943 1421 H CA 0.189 56.064 56.048 -0.289 0.000 1.416 1421 H CB -0.401 29.044 29.762 -0.528 0.000 1.434 1421 H HN 0.820 nan 8.280 nan 0.000 0.565 1422 A N 4.869 127.790 122.820 0.168 0.000 2.566 1422 A HA 0.558 4.878 4.320 -0.000 0.000 0.292 1422 A C -0.768 176.923 177.584 0.179 0.000 1.112 1422 A CA -0.184 51.900 52.037 0.078 0.000 0.707 1422 A CB 1.841 20.855 19.000 0.023 0.000 1.302 1422 A HN 0.784 nan 8.150 nan 0.000 0.409 1423 V N -0.674 119.359 119.914 0.199 0.000 2.823 1423 V HA 0.861 4.981 4.120 -0.000 0.000 0.312 1423 V C -0.619 175.499 176.094 0.039 0.000 1.072 1423 V CA -0.915 61.503 62.300 0.197 0.000 0.937 1423 V CB 1.630 33.649 31.823 0.326 0.000 1.013 1423 V HN 0.904 nan 8.190 nan 0.000 0.430 1424 M N 3.929 123.555 119.600 0.044 0.000 2.404 1424 M HA 0.637 5.116 4.480 -0.000 0.000 0.338 1424 M C -1.195 175.130 176.300 0.042 0.000 1.150 1424 M CA -0.359 54.969 55.300 0.047 0.000 1.016 1424 M CB 1.745 34.486 32.600 0.235 0.000 1.672 1424 M HN 0.792 nan 8.290 nan 0.000 0.448 1425 D N 3.867 124.295 120.400 0.045 0.000 2.402 1425 D HA 0.386 5.025 4.640 -0.000 0.000 0.252 1425 D C -1.474 174.928 176.300 0.170 0.000 1.294 1425 D CA -0.283 53.735 54.000 0.030 0.000 0.948 1425 D CB 0.968 41.686 40.800 -0.137 0.000 1.202 1425 D HN 0.620 nan 8.370 nan 0.000 0.561 1426 I N 2.295 122.961 120.570 0.159 0.000 2.304 1426 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 1426 I C 0.840 177.090 176.117 0.222 0.000 1.018 1426 I CA -0.752 60.641 61.300 0.156 0.000 1.260 1426 I CB 1.414 39.441 38.000 0.046 0.000 1.390 1426 I HN 0.233 nan 8.210 nan 0.000 0.475 1427 S N 7.480 123.342 115.700 0.270 0.000 2.531 1427 S HA 0.391 4.860 4.470 -0.000 0.000 0.279 1427 S C -0.296 174.404 174.600 0.167 0.000 1.305 1427 S CA -0.455 57.808 58.200 0.105 0.000 1.058 1427 S CB 0.282 63.597 63.200 0.192 0.000 0.899 1427 S HN 0.430 nan 8.310 nan 0.000 0.493 1428 L N 6.186 127.440 121.223 0.052 0.000 2.325 1428 L HA 0.455 4.794 4.340 -0.000 0.000 0.279 1428 L C -2.019 174.902 176.870 0.085 0.000 1.054 1428 L CA -2.332 52.582 54.840 0.124 0.000 0.804 1428 L CB 1.040 43.161 42.059 0.103 0.000 1.200 1428 L HN 0.498 nan 8.230 nan 0.000 0.436 1429 P HA 0.032 nan 4.420 nan 0.000 0.269 1429 P C -0.659 176.693 177.300 0.086 0.000 1.215 1429 P CA -0.309 62.816 63.100 0.041 0.000 0.780 1429 P CB 0.290 31.966 31.700 -0.040 0.000 0.898 1430 T N 1.173 115.796 114.554 0.115 0.000 2.792 1430 T HA 0.322 4.672 4.350 -0.000 0.000 0.286 1430 T C 0.916 175.800 174.700 0.308 0.000 0.970 1430 T CA 0.598 62.815 62.100 0.194 0.000 1.187 1430 T CB -0.823 68.150 68.868 0.175 0.000 0.915 1430 T HN 0.863 nan 8.240 nan 0.000 0.529 1431 G N 3.625 112.601 108.800 0.294 0.000 2.415 1431 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.283 1431 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.283 1431 G C -0.070 174.870 174.900 0.067 0.000 1.014 1431 G CA -0.650 44.496 45.100 0.077 0.000 1.323 1431 G HN 0.797 nan 8.290 nan 0.000 0.502 1432 I N 0.964 121.562 120.570 0.046 0.000 2.860 1432 I HA 0.068 4.238 4.170 -0.000 0.000 0.297 1432 I C 0.788 176.960 176.117 0.091 0.000 1.625 1432 I CA -0.689 60.655 61.300 0.073 0.000 0.773 1432 I CB 0.115 38.142 38.000 0.045 0.000 1.973 1432 I HN 0.287 nan 8.210 nan 0.000 0.588 1433 S N 2.312 118.115 115.700 0.171 0.000 2.571 1433 S HA 0.323 4.793 4.470 -0.000 0.000 0.298 1433 S C 0.844 175.474 174.600 0.051 0.000 1.280 1433 S CA 0.103 58.450 58.200 0.245 0.000 1.052 1433 S CB 0.960 64.520 63.200 0.601 0.000 0.799 1433 S HN 0.637 nan 8.310 nan 0.000 0.501 1434 A N 2.200 125.072 122.820 0.087 0.000 2.252 1434 A HA 0.514 4.833 4.320 -0.000 0.000 0.305 1434 A C 0.471 178.001 177.584 -0.090 0.000 1.097 1434 A CA -0.699 51.370 52.037 0.053 0.000 0.849 1434 A CB 0.193 19.284 19.000 0.151 0.000 1.142 1434 A HN 0.698 nan 8.150 nan 0.000 0.499 1435 N N 0.124 118.780 118.700 -0.074 0.000 2.968 1435 N HA 0.058 4.797 4.740 -0.000 0.000 0.271 1435 N C 0.782 176.299 175.510 0.012 0.000 1.174 1435 N CA 0.048 53.041 53.050 -0.095 0.000 1.096 1435 N CB 0.215 38.622 38.487 -0.133 0.000 1.403 1435 N HN 0.724 nan 8.380 nan 0.000 0.522 1436 E N 1.565 121.837 120.200 0.119 0.000 2.172 1436 E HA -0.293 4.057 4.350 -0.000 0.000 0.213 1436 E C 0.947 177.500 176.600 -0.078 0.000 1.051 1436 E CA 1.935 58.380 56.400 0.074 0.000 0.860 1436 E CB 0.262 30.097 29.700 0.225 0.000 0.755 1436 E HN 0.537 nan 8.360 nan 0.000 0.462 1437 E N 0.332 120.538 120.200 0.011 0.000 2.072 1437 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 1437 E C 1.854 178.394 176.600 -0.100 0.000 0.985 1437 E CA 1.197 57.577 56.400 -0.033 0.000 0.801 1437 E CB -0.428 29.290 29.700 0.030 0.000 0.750 1437 E HN 0.410 nan 8.360 nan 0.000 0.452 1438 D N 1.092 121.445 120.400 -0.078 0.000 2.133 1438 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 1438 D C 2.241 178.445 176.300 -0.159 0.000 0.997 1438 D CA 0.829 54.785 54.000 -0.073 0.000 0.840 1438 D CB -0.226 40.571 40.800 -0.005 0.000 0.947 1438 D HN 0.170 nan 8.370 nan 0.000 0.452 1439 L N 0.505 121.538 121.223 -0.316 0.000 2.044 1439 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 1439 L C 2.400 178.889 176.870 -0.634 0.000 1.075 1439 L CA 0.783 55.301 54.840 -0.535 0.000 0.747 1439 L CB -0.316 41.271 42.059 -0.787 0.000 0.903 1439 L HN -0.110 nan 8.230 nan 0.000 0.435 1440 K N 0.578 120.544 120.400 -0.724 0.000 2.127 1440 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 1440 K C 2.152 178.637 176.600 -0.192 0.000 1.047 1440 K CA 1.673 57.705 56.287 -0.426 0.000 0.927 1440 K CB -0.525 31.842 32.500 -0.221 0.000 0.716 1440 K HN 0.338 nan 8.250 nan 0.000 0.450 1441 A N 1.101 123.828 122.820 -0.155 0.000 1.940 1441 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 1441 A C 2.305 179.877 177.584 -0.020 0.000 1.176 1441 A CA 1.301 53.303 52.037 -0.059 0.000 0.631 1441 A CB -0.469 18.507 19.000 -0.040 0.000 0.814 1441 A HN 0.199 nan 8.150 nan 0.000 0.446 1442 L N -0.776 120.424 121.223 -0.038 0.000 2.095 1442 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 1442 L C 2.575 179.500 176.870 0.093 0.000 1.080 1442 L CA 1.274 56.158 54.840 0.073 0.000 0.759 1442 L CB -0.198 41.938 42.059 0.128 0.000 0.914 1442 L HN 0.407 nan 8.230 nan 0.000 0.439 1443 V N -2.631 117.305 119.914 0.036 0.000 3.052 1443 V HA -0.053 4.067 4.120 -0.000 0.000 0.254 1443 V C 1.679 177.782 176.094 0.015 0.000 1.100 1443 V CA 1.097 63.421 62.300 0.040 0.000 1.112 1443 V CB -0.011 31.843 31.823 0.052 0.000 0.738 1443 V HN 0.465 nan 8.190 nan 0.000 0.469 1444 E N 0.505 120.713 120.200 0.014 0.000 2.465 1444 E HA 0.335 4.685 4.350 -0.000 0.000 0.191 1444 E C 0.880 177.497 176.600 0.029 0.000 1.053 1444 E CA 0.359 56.773 56.400 0.024 0.000 0.869 1444 E CB 0.026 29.738 29.700 0.021 0.000 0.977 1444 E HN 0.770 nan 8.360 nan 0.000 0.483 1445 G N -0.896 107.918 108.800 0.024 0.000 2.519 1445 G HA2 0.276 4.236 3.960 -0.000 0.000 0.307 1445 G HA3 0.276 4.236 3.960 -0.000 0.000 0.307 1445 G C 0.738 175.625 174.900 -0.021 0.000 1.266 1445 G CA -0.661 44.454 45.100 0.026 0.000 0.970 1445 G HN 0.005 nan 8.290 nan 0.000 0.481 1446 V N 0.909 120.791 119.914 -0.054 0.000 2.546 1446 V HA -0.168 3.951 4.120 -0.000 0.000 0.254 1446 V C 2.190 178.153 176.094 -0.219 0.000 1.076 1446 V CA 2.254 64.474 62.300 -0.133 0.000 1.087 1446 V CB -0.497 31.210 31.823 -0.193 0.000 0.674 1446 V HN 0.845 nan 8.190 nan 0.000 0.470 1447 D N 1.015 121.274 120.400 -0.236 0.000 2.323 1447 D HA -0.083 4.557 4.640 -0.000 0.000 0.239 1447 D C 0.950 177.212 176.300 -0.063 0.000 1.129 1447 D CA -0.286 53.603 54.000 -0.185 0.000 0.865 1447 D CB -0.802 39.976 40.800 -0.036 0.000 0.913 1447 D HN 0.766 nan 8.370 nan 0.000 0.517 1448 Q N -0.028 119.737 119.800 -0.058 0.000 2.320 1448 Q HA -0.062 4.278 4.340 -0.000 0.000 0.311 1448 Q C 0.670 176.635 176.000 -0.058 0.000 1.083 1448 Q CA -0.200 55.584 55.803 -0.031 0.000 1.001 1448 Q CB 0.971 29.685 28.738 -0.040 0.000 1.074 1448 Q HN 0.180 nan 8.270 nan 0.000 0.379 1449 L N 3.671 124.872 121.223 -0.038 0.000 2.145 1449 L HA 0.296 4.636 4.340 -0.000 0.000 0.201 1449 L C -0.261 176.342 176.870 -0.445 0.000 1.075 1449 L CA 1.302 56.024 54.840 -0.196 0.000 0.773 1449 L CB 0.101 42.096 42.059 -0.106 0.000 0.936 1449 L HN 0.703 nan 8.230 nan 0.000 0.451 1450 F N -1.282 118.620 119.950 -0.080 0.000 2.518 1450 F HA 0.433 4.959 4.527 -0.000 0.000 0.338 1450 F C 1.542 177.210 175.800 -0.221 0.000 1.065 1450 F CA 0.025 57.947 58.000 -0.130 0.000 1.012 1450 F CB 1.017 39.958 39.000 -0.098 0.000 1.297 1450 F HN -0.141 nan 8.300 nan 0.000 0.489 1451 T N -3.687 110.752 114.554 -0.191 0.000 2.975 1451 T HA 0.297 4.647 4.350 -0.000 0.000 0.261 1451 T C -0.666 173.703 174.700 -0.551 0.000 0.984 1451 T CA 0.063 61.824 62.100 -0.565 0.000 0.911 1451 T CB -0.134 67.905 68.868 -1.382 0.000 1.127 1451 T HN 0.516 nan 8.240 nan 0.000 0.514 1452 D N 0.607 120.840 120.400 -0.278 0.000 2.400 1452 D HA 0.338 4.978 4.640 -0.000 0.000 0.197 1452 D C -1.376 174.908 176.300 -0.027 0.000 1.295 1452 D CA -0.662 53.236 54.000 -0.169 0.000 0.878 1452 D CB 0.921 41.540 40.800 -0.301 0.000 1.659 1452 D HN 0.362 nan 8.370 nan 0.000 0.546 1453 Y N 2.141 122.361 120.300 -0.132 0.000 2.534 1453 Y HA 0.792 5.342 4.550 -0.001 0.000 0.329 1453 Y C -0.944 174.902 175.900 -0.089 0.000 1.154 1453 Y CA -0.648 57.359 58.100 -0.155 0.000 1.192 1453 Y CB 1.210 39.540 38.460 -0.217 0.000 1.275 1453 Y HN 0.398 nan 8.280 nan 0.000 0.491 1454 Q N 1.863 121.422 119.800 -0.402 0.000 2.541 1454 Q HA 0.426 4.766 4.340 -0.000 0.000 0.259 1454 Q C -2.301 173.609 176.000 -0.148 0.000 0.974 1454 Q CA -0.734 54.810 55.803 -0.430 0.000 0.955 1454 Q CB 1.142 29.724 28.738 -0.261 0.000 1.517 1454 Q HN 0.708 nan 8.270 nan 0.000 0.412 1455 I N 2.312 122.827 120.570 -0.092 0.000 2.313 1455 I HA 0.305 4.474 4.170 -0.000 0.000 0.286 1455 I C -0.366 175.746 176.117 -0.010 0.000 1.091 1455 I CA 0.027 61.321 61.300 -0.010 0.000 1.216 1455 I CB 0.924 38.946 38.000 0.035 0.000 1.434 1455 I HN 0.491 nan 8.210 nan 0.000 0.487 1456 K N 4.494 124.900 120.400 0.011 0.000 2.159 1456 K HA 0.239 4.559 4.320 -0.000 0.000 0.266 1456 K C -0.301 176.320 176.600 0.035 0.000 0.975 1456 K CA -0.472 55.816 56.287 0.002 0.000 0.865 1456 K CB 0.810 33.315 32.500 0.009 0.000 1.087 1456 K HN 0.379 nan 8.250 nan 0.000 0.446 1457 D N 3.134 123.472 120.400 -0.103 0.000 2.720 1457 D HA -0.202 4.438 4.640 -0.000 0.000 0.229 1457 D C 0.534 176.865 176.300 0.051 0.000 1.198 1457 D CA 1.905 55.764 54.000 -0.235 0.000 0.639 1457 D CB -1.187 39.477 40.800 -0.227 0.000 1.003 1457 D HN 1.015 nan 8.370 nan 0.000 0.411 1458 G N 0.056 108.856 108.800 -0.000 0.000 2.137 1458 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.237 1458 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.237 1458 G C -0.072 174.689 174.900 -0.232 0.000 1.002 1458 G CA 0.212 45.283 45.100 -0.047 0.000 0.702 1458 G HN 0.684 nan 8.290 nan 0.000 0.515 1459 H N -1.028 118.078 119.070 0.060 0.000 2.840 1459 H HA 0.436 4.992 4.556 -0.000 0.000 0.340 1459 H C -0.414 174.915 175.328 0.002 0.000 1.004 1459 H CA -0.673 55.406 56.048 0.051 0.000 1.288 1459 H CB 2.155 31.946 29.762 0.048 0.000 1.607 1459 H HN 0.093 nan 8.280 nan 0.000 0.522 1460 V N 5.284 125.239 119.914 0.068 0.000 2.530 1460 V HA 0.175 4.295 4.120 -0.000 0.000 0.282 1460 V C 0.538 176.611 176.094 -0.036 0.000 1.048 1460 V CA -0.012 62.248 62.300 -0.066 0.000 0.997 1460 V CB 0.865 32.499 31.823 -0.315 0.000 0.987 1460 V HN 0.568 nan 8.190 nan 0.000 0.477 1461 I N 6.225 126.764 120.570 -0.052 0.000 2.517 1461 I HA 0.371 4.541 4.170 -0.000 0.000 0.280 1461 I C -0.569 175.525 176.117 -0.039 0.000 1.061 1461 I CA -0.040 61.248 61.300 -0.022 0.000 1.091 1461 I CB 1.222 39.230 38.000 0.013 0.000 1.205 1461 I HN 0.392 nan 8.210 nan 0.000 0.459 1462 L N 5.953 127.149 121.223 -0.044 0.000 2.344 1462 L HA 0.583 4.923 4.340 -0.000 0.000 0.272 1462 L C -0.385 176.548 176.870 0.105 0.000 1.035 1462 L CA -0.602 54.219 54.840 -0.032 0.000 0.807 1462 L CB 1.555 43.475 42.059 -0.232 0.000 1.237 1462 L HN 0.498 nan 8.230 nan 0.000 0.442 1463 Q N 2.952 122.831 119.800 0.132 0.000 2.271 1463 Q HA 0.589 4.928 4.340 -0.000 0.000 0.268 1463 Q C -1.755 174.282 176.000 0.060 0.000 1.021 1463 Q CA -0.765 55.119 55.803 0.136 0.000 0.802 1463 Q CB 2.734 31.535 28.738 0.105 0.000 1.282 1463 Q HN 0.282 nan 8.270 nan 0.000 0.431 1464 L N -0.635 120.653 121.223 0.109 0.000 2.403 1464 L HA 0.505 4.845 4.340 -0.000 0.000 0.253 1464 L C 0.513 177.453 176.870 0.117 0.000 1.045 1464 L CA -0.831 54.011 54.840 0.004 0.000 0.845 1464 L CB 0.054 42.047 42.059 -0.110 0.000 1.447 1464 L HN 0.517 nan 8.230 nan 0.000 0.411 1465 N N -0.430 118.328 118.700 0.097 0.000 2.512 1465 N HA -0.029 4.710 4.740 -0.000 0.000 0.183 1465 N C 0.176 175.664 175.510 -0.037 0.000 1.073 1465 N CA 0.783 53.855 53.050 0.038 0.000 0.911 1465 N CB 0.544 39.062 38.487 0.051 0.000 0.964 1465 N HN 0.662 nan 8.380 nan 0.000 0.447 1466 S N -0.266 115.421 115.700 -0.021 0.000 2.578 1466 S HA 0.455 4.925 4.470 -0.000 0.000 0.272 1466 S C -1.702 172.893 174.600 -0.008 0.000 1.145 1466 S CA -0.728 57.456 58.200 -0.027 0.000 0.835 1466 S CB 0.955 64.141 63.200 -0.023 0.000 1.104 1466 S HN 0.051 nan 8.310 nan 0.000 0.458 1467 I N 2.693 123.289 120.570 0.044 0.000 2.956 1467 I HA 0.295 4.465 4.170 -0.000 0.000 0.311 1467 I C -2.470 173.728 176.117 0.135 0.000 1.436 1467 I CA -1.918 59.435 61.300 0.089 0.000 0.872 1467 I CB 1.072 39.171 38.000 0.165 0.000 2.099 1467 I HN 0.386 nan 8.210 nan 0.000 0.624 1468 P HA -0.148 nan 4.420 nan 0.000 0.270 1468 P C 0.668 178.024 177.300 0.093 0.000 1.149 1468 P CA 0.816 63.965 63.100 0.081 0.000 0.752 1468 P CB 0.571 32.301 31.700 0.049 0.000 0.751 1469 S N 0.777 116.527 115.700 0.083 0.000 2.503 1469 S HA -0.072 4.398 4.470 -0.000 0.000 0.217 1469 S C 1.916 176.541 174.600 0.041 0.000 0.999 1469 S CA 0.751 58.977 58.200 0.043 0.000 0.914 1469 S CB -0.453 62.740 63.200 -0.012 0.000 0.782 1469 S HN 0.662 nan 8.310 nan 0.000 0.520 1470 S N 2.596 118.325 115.700 0.048 0.000 2.381 1470 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 1470 S C 0.679 175.326 174.600 0.080 0.000 1.052 1470 S CA 1.802 60.035 58.200 0.054 0.000 1.068 1470 S CB -0.594 62.636 63.200 0.050 0.000 0.918 1470 S HN 0.719 nan 8.310 nan 0.000 0.448 1471 D N -1.085 119.375 120.400 0.100 0.000 3.309 1471 D HA 0.506 5.145 4.640 -0.000 0.000 0.335 1471 D C -0.903 175.513 176.300 0.193 0.000 1.393 1471 D CA -0.952 53.160 54.000 0.188 0.000 0.963 1471 D CB -0.530 40.378 40.800 0.179 0.000 1.431 1471 D HN 0.113 nan 8.370 nan 0.000 0.583 1472 F N -0.632 119.366 119.950 0.081 0.000 2.380 1472 F HA 0.622 5.149 4.527 -0.000 0.000 0.319 1472 F C 0.054 175.903 175.800 0.082 0.000 1.113 1472 F CA -0.811 57.251 58.000 0.103 0.000 1.056 1472 F CB 1.245 40.303 39.000 0.097 0.000 1.289 1472 F HN 0.311 nan 8.300 nan 0.000 0.515 1473 L N 1.639 123.013 121.223 0.251 0.000 2.409 1473 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 1473 L C -1.714 175.284 176.870 0.213 0.000 0.980 1473 L CA -0.038 54.890 54.840 0.147 0.000 0.826 1473 L CB 1.247 43.326 42.059 0.032 0.000 1.268 1473 L HN 0.609 nan 8.230 nan 0.000 0.407 1474 c N 4.448 123.162 118.600 0.190 0.000 2.369 1474 c HA 0.626 5.195 4.570 -0.000 0.000 0.322 1474 c C -0.037 174.235 174.090 0.303 0.000 1.258 1474 c CA -0.760 55.705 56.329 0.225 0.000 1.487 1474 c CB 1.553 44.160 42.510 0.161 0.000 2.165 1474 c HN 0.624 nan 8.230 nan 0.000 0.483 1475 V N 6.758 126.892 119.914 0.366 0.000 2.539 1475 V HA 0.782 4.901 4.120 -0.000 0.000 0.292 1475 V C -0.528 175.660 176.094 0.157 0.000 1.045 1475 V CA -0.215 62.276 62.300 0.318 0.000 0.945 1475 V CB 1.226 33.062 31.823 0.022 0.000 0.993 1475 V HN 0.949 nan 8.190 nan 0.000 0.464 1476 R N 5.520 126.107 120.500 0.145 0.000 2.744 1476 R HA 0.715 5.055 4.340 -0.000 0.000 0.279 1476 R C -1.489 174.906 176.300 0.158 0.000 0.977 1476 R CA -0.463 55.679 56.100 0.071 0.000 0.906 1476 R CB 1.806 32.111 30.300 0.009 0.000 1.197 1476 R HN 0.929 nan 8.270 nan 0.000 0.463 1477 F N -1.735 118.144 119.950 -0.118 0.000 2.725 1477 F HA 0.563 5.089 4.527 -0.000 0.000 0.309 1477 F C -1.379 174.326 175.800 -0.160 0.000 1.132 1477 F CA -1.328 56.586 58.000 -0.144 0.000 0.957 1477 F CB 1.312 40.207 39.000 -0.175 0.000 1.286 1477 F HN 0.439 nan 8.300 nan 0.000 0.440 1478 R N 2.829 123.253 120.500 -0.126 0.000 2.643 1478 R HA 0.868 5.208 4.340 -0.000 0.000 0.272 1478 R C -0.852 175.232 176.300 -0.360 0.000 0.995 1478 R CA -1.105 54.836 56.100 -0.264 0.000 1.032 1478 R CB 2.220 32.411 30.300 -0.182 0.000 1.126 1478 R HN 0.863 nan 8.270 nan 0.000 0.505 1479 I N -1.200 119.127 120.570 -0.404 0.000 2.569 1479 I HA 0.476 4.645 4.170 -0.000 0.000 0.290 1479 I C -1.240 174.697 176.117 -0.299 0.000 1.088 1479 I CA -1.169 59.868 61.300 -0.438 0.000 1.047 1479 I CB 1.761 39.614 38.000 -0.245 0.000 1.237 1479 I HN 0.383 nan 8.210 nan 0.000 0.421 1480 F N 2.002 121.963 119.950 0.018 0.000 2.402 1480 F HA 0.526 5.052 4.527 -0.001 0.000 0.355 1480 F C 0.441 176.285 175.800 0.073 0.000 1.123 1480 F CA -1.523 56.521 58.000 0.073 0.000 1.021 1480 F CB 0.537 39.440 39.000 -0.161 0.000 1.160 1480 F HN 0.511 nan 8.300 nan 0.000 0.451 1481 E N 3.930 124.334 120.200 0.340 0.000 2.070 1481 E HA -0.102 4.248 4.350 -0.000 0.000 0.249 1481 E C 1.459 178.164 176.600 0.176 0.000 1.247 1481 E CA 0.049 56.581 56.400 0.219 0.000 1.009 1481 E CB 0.103 29.930 29.700 0.212 0.000 1.093 1481 E HN 0.884 nan 8.360 nan 0.000 0.443 1482 L N 4.034 125.317 121.223 0.100 0.000 2.081 1482 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 1482 L C 0.403 177.266 176.870 -0.012 0.000 1.080 1482 L CA 1.459 56.277 54.840 -0.037 0.000 0.754 1482 L CB 0.065 41.989 42.059 -0.226 0.000 0.893 1482 L HN 0.344 nan 8.230 nan 0.000 0.433 1483 F N -2.230 117.762 119.950 0.070 0.000 2.745 1483 F HA 0.577 5.104 4.527 -0.000 0.000 0.316 1483 F C -0.849 174.971 175.800 0.034 0.000 1.155 1483 F CA -2.659 55.363 58.000 0.037 0.000 0.937 1483 F CB 0.234 39.252 39.000 0.030 0.000 1.361 1483 F HN -0.290 nan 8.300 nan 0.000 0.472 1484 E N 1.792 122.130 120.200 0.230 0.000 2.129 1484 E HA 0.479 4.829 4.350 -0.000 0.000 0.283 1484 E C -0.196 176.387 176.600 -0.029 0.000 1.080 1484 E CA -0.447 56.000 56.400 0.078 0.000 0.867 1484 E CB 0.993 30.703 29.700 0.016 0.000 1.056 1484 E HN 0.738 nan 8.360 nan 0.000 0.404 1485 V N 0.898 120.826 119.914 0.022 0.000 2.483 1485 V HA 0.878 4.998 4.120 -0.000 0.000 0.295 1485 V C 0.465 176.529 176.094 -0.050 0.000 1.035 1485 V CA -0.577 61.713 62.300 -0.017 0.000 0.896 1485 V CB 1.568 33.427 31.823 0.060 0.000 0.986 1485 V HN 0.571 nan 8.190 nan 0.000 0.447 1486 G N 3.256 112.021 108.800 -0.059 0.000 2.437 1486 G HA2 0.547 4.506 3.960 -0.000 0.000 0.319 1486 G HA3 0.547 4.506 3.960 -0.000 0.000 0.319 1486 G C -0.383 174.517 174.900 0.000 0.000 1.158 1486 G CA -0.909 44.087 45.100 -0.173 0.000 0.899 1486 G HN 1.203 nan 8.290 nan 0.000 0.502 1487 F N -0.440 119.492 119.950 -0.030 0.000 2.387 1487 F HA -0.164 4.363 4.527 -0.001 0.000 0.152 1487 F C 0.835 176.614 175.800 -0.035 0.000 1.088 1487 F CA -0.720 57.260 58.000 -0.033 0.000 0.774 1487 F CB -1.795 37.185 39.000 -0.033 0.000 0.605 1487 F HN 0.332 nan 8.300 nan 0.000 0.814 1488 L N 0.187 121.470 121.223 0.101 0.000 2.410 1488 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 1488 L C 0.342 177.232 176.870 0.034 0.000 1.152 1488 L CA -0.750 54.128 54.840 0.064 0.000 0.855 1488 L CB 0.568 42.644 42.059 0.029 0.000 1.129 1488 L HN 0.355 nan 8.230 nan 0.000 0.463 1489 S N 3.926 119.641 115.700 0.024 0.000 2.646 1489 S HA 0.836 5.305 4.470 -0.000 0.000 0.276 1489 S C -2.528 172.062 174.600 -0.016 0.000 1.222 1489 S CA -1.091 57.100 58.200 -0.016 0.000 1.014 1489 S CB 0.803 63.991 63.200 -0.020 0.000 0.991 1489 S HN 0.743 nan 8.310 nan 0.000 0.533 1490 P HA 0.450 nan 4.420 nan 0.000 0.278 1490 P C -0.557 176.852 177.300 0.181 0.000 1.238 1490 P CA -0.466 62.639 63.100 0.009 0.000 0.794 1490 P CB 0.884 32.598 31.700 0.023 0.000 0.955 1491 A N 2.316 125.265 122.820 0.215 0.000 2.621 1491 A HA 0.799 5.119 4.320 -0.000 0.000 0.267 1491 A C -0.148 177.797 177.584 0.603 0.000 1.506 1491 A CA -0.040 52.218 52.037 0.368 0.000 0.873 1491 A CB -0.217 18.972 19.000 0.315 0.000 1.577 1491 A HN 0.577 nan 8.150 nan 0.000 0.536 1492 T N -2.751 112.097 114.554 0.490 0.000 2.909 1492 T HA 0.544 4.894 4.350 -0.000 0.000 0.299 1492 T C -1.282 173.532 174.700 0.190 0.000 1.073 1492 T CA -0.207 62.070 62.100 0.295 0.000 0.999 1492 T CB 1.354 70.270 68.868 0.079 0.000 1.098 1492 T HN 0.860 nan 8.240 nan 0.000 0.477 1493 F N 2.760 122.622 119.950 -0.147 0.000 2.430 1493 F HA 0.636 5.163 4.527 -0.000 0.000 0.362 1493 F C -0.238 175.459 175.800 -0.171 0.000 1.103 1493 F CA -1.037 56.828 58.000 -0.225 0.000 1.045 1493 F CB 0.896 39.681 39.000 -0.358 0.000 1.276 1493 F HN 0.827 nan 8.300 nan 0.000 0.444 1494 T N 5.187 119.604 114.554 -0.229 0.000 2.855 1494 T HA 0.705 5.055 4.350 -0.000 0.000 0.281 1494 T C -1.593 172.764 174.700 -0.572 0.000 1.007 1494 T CA -0.556 61.272 62.100 -0.455 0.000 1.009 1494 T CB 1.307 69.983 68.868 -0.321 0.000 0.983 1494 T HN 0.771 nan 8.240 nan 0.000 0.455 1495 V N 7.640 127.182 119.914 -0.620 0.000 2.577 1495 V HA 0.720 4.840 4.120 -0.000 0.000 0.294 1495 V C -1.960 173.894 176.094 -0.401 0.000 1.052 1495 V CA -0.735 61.208 62.300 -0.594 0.000 0.891 1495 V CB 0.971 32.381 31.823 -0.688 0.000 1.017 1495 V HN 0.950 nan 8.190 nan 0.000 0.436 1496 Y N 2.398 122.583 120.300 -0.192 0.000 2.630 1496 Y HA 0.786 5.336 4.550 -0.000 0.000 0.337 1496 Y C -0.280 175.624 175.900 0.005 0.000 1.051 1496 Y CA -2.650 55.455 58.100 0.008 0.000 1.121 1496 Y CB 0.999 39.452 38.460 -0.012 0.000 1.299 1496 Y HN 0.701 nan 8.280 nan 0.000 0.498 1497 E N 0.580 120.930 120.200 0.250 0.000 2.227 1497 E HA 0.128 4.477 4.350 -0.000 0.000 0.282 1497 E C -0.081 176.382 176.600 -0.228 0.000 1.015 1497 E CA -0.440 55.963 56.400 0.005 0.000 0.823 1497 E CB 0.607 30.266 29.700 -0.067 0.000 1.081 1497 E HN 0.679 nan 8.360 nan 0.000 0.396 1498 Y N 3.931 123.930 120.300 -0.501 0.000 2.081 1498 Y HA -0.284 4.266 4.550 -0.001 0.000 0.280 1498 Y C 1.426 177.024 175.900 -0.503 0.000 1.163 1498 Y CA 2.319 60.006 58.100 -0.687 0.000 1.135 1498 Y CB -0.120 37.603 38.460 -1.228 0.000 0.970 1498 Y HN 0.752 nan 8.280 nan 0.000 0.498 1499 H N -0.820 118.063 119.070 -0.311 0.000 2.535 1499 H HA 0.136 4.692 4.556 -0.000 0.000 0.273 1499 H C 0.042 175.235 175.328 -0.225 0.000 0.983 1499 H CA 0.447 56.342 56.048 -0.256 0.000 1.238 1499 H CB 0.168 29.855 29.762 -0.124 0.000 1.412 1499 H HN 0.176 nan 8.280 nan 0.000 0.562 1500 R N -0.400 120.017 120.500 -0.137 0.000 2.639 1500 R HA 0.230 4.570 4.340 -0.000 0.000 0.273 1500 R C -2.763 173.437 176.300 -0.167 0.000 1.732 1500 R CA -1.659 54.356 56.100 -0.141 0.000 1.586 1500 R CB 0.617 30.849 30.300 -0.114 0.000 1.263 1500 R HN -0.079 nan 8.270 nan 0.000 0.615 1501 P HA -0.165 nan 4.420 nan 0.000 0.231 1501 P C -0.283 176.972 177.300 -0.074 0.000 1.154 1501 P CA 1.017 63.970 63.100 -0.245 0.000 0.762 1501 P CB 0.130 31.634 31.700 -0.327 0.000 0.790 1502 D N -1.050 119.297 120.400 -0.089 0.000 2.363 1502 D HA -0.042 4.598 4.640 -0.000 0.000 0.226 1502 D C 0.710 177.000 176.300 -0.017 0.000 1.020 1502 D CA 0.638 54.597 54.000 -0.068 0.000 0.892 1502 D CB 0.027 40.758 40.800 -0.115 0.000 0.900 1502 D HN 0.139 nan 8.370 nan 0.000 0.531 1503 K N 0.707 121.121 120.400 0.024 0.000 2.814 1503 K HA 0.164 4.484 4.320 -0.000 0.000 0.213 1503 K C -0.048 176.674 176.600 0.204 0.000 1.113 1503 K CA -0.144 56.188 56.287 0.074 0.000 1.145 1503 K CB 0.143 32.665 32.500 0.038 0.000 0.948 1503 K HN 0.048 nan 8.250 nan 0.000 0.464 1504 Q N 0.409 120.300 119.800 0.151 0.000 2.452 1504 Q HA 0.086 4.426 4.340 -0.000 0.000 0.230 1504 Q C -0.734 175.294 176.000 0.046 0.000 1.180 1504 Q CA -0.196 55.683 55.803 0.126 0.000 0.914 1504 Q CB 0.414 29.218 28.738 0.111 0.000 1.408 1504 Q HN 0.251 nan 8.270 nan 0.000 0.520 1505 c N 3.292 121.930 118.600 0.062 0.000 2.576 1505 c HA 0.420 4.990 4.570 -0.000 0.000 0.401 1505 c C 0.103 174.094 174.090 -0.165 0.000 1.314 1505 c CA 0.097 56.410 56.329 -0.026 0.000 1.855 1505 c CB -0.464 42.066 42.510 0.034 0.000 2.537 1505 c HN 0.676 nan 8.230 nan 0.000 0.578 1506 T N 7.423 121.883 114.554 -0.157 0.000 2.900 1506 T HA 0.592 4.942 4.350 -0.000 0.000 0.295 1506 T C -0.758 173.830 174.700 -0.187 0.000 1.044 1506 T CA -0.405 61.564 62.100 -0.218 0.000 0.995 1506 T CB 1.557 70.305 68.868 -0.199 0.000 1.072 1506 T HN 0.798 nan 8.240 nan 0.000 0.473 1507 M N 2.774 122.259 119.600 -0.192 0.000 2.322 1507 M HA 0.504 4.984 4.480 -0.000 0.000 0.286 1507 M C -1.743 174.570 176.300 0.022 0.000 1.111 1507 M CA -0.703 54.561 55.300 -0.060 0.000 0.941 1507 M CB 1.423 34.040 32.600 0.028 0.000 1.671 1507 M HN 0.504 nan 8.290 nan 0.000 0.470 1508 F N 4.481 124.527 119.950 0.160 0.000 2.418 1508 F HA 0.469 4.995 4.527 -0.000 0.000 0.341 1508 F C -0.012 175.993 175.800 0.343 0.000 1.120 1508 F CA 0.384 58.524 58.000 0.234 0.000 1.232 1508 F CB 0.465 39.561 39.000 0.160 0.000 1.175 1508 F HN 0.496 nan 8.300 nan 0.000 0.569 1509 Y N -1.249 119.241 120.300 0.316 0.000 2.670 1509 Y HA 0.691 5.240 4.550 -0.000 0.000 0.334 1509 Y C -1.125 174.853 175.900 0.130 0.000 1.185 1509 Y CA -1.177 57.034 58.100 0.185 0.000 1.053 1509 Y CB 1.633 40.182 38.460 0.148 0.000 1.298 1509 Y HN 0.443 nan 8.280 nan 0.000 0.459 1510 S N -0.317 115.200 115.700 -0.305 0.000 2.599 1510 S HA 0.370 4.840 4.470 -0.000 0.000 0.287 1510 S C -0.306 174.014 174.600 -0.466 0.000 1.105 1510 S CA -0.304 57.629 58.200 -0.445 0.000 0.899 1510 S CB 1.930 65.021 63.200 -0.182 0.000 1.100 1510 S HN 0.830 nan 8.310 nan 0.000 0.482 1511 T N 1.739 116.056 114.554 -0.395 0.000 3.186 1511 T HA 0.429 4.779 4.350 -0.000 0.000 0.257 1511 T C -0.429 174.161 174.700 -0.184 0.000 1.029 1511 T CA 0.364 62.293 62.100 -0.286 0.000 0.916 1511 T CB -0.766 67.953 68.868 -0.248 0.000 1.041 1511 T HN 0.743 nan 8.240 nan 0.000 0.562 1512 S N -0.129 115.479 115.700 -0.153 0.000 2.552 1512 S HA 0.383 4.853 4.470 -0.000 0.000 0.272 1512 S C -0.141 174.408 174.600 -0.084 0.000 1.150 1512 S CA -0.987 57.145 58.200 -0.113 0.000 0.849 1512 S CB 0.941 64.080 63.200 -0.101 0.000 1.113 1512 S HN 0.109 nan 8.310 nan 0.000 0.458 1513 N N 0.932 119.590 118.700 -0.069 0.000 2.299 1513 N HA 0.217 4.957 4.740 -0.000 0.000 0.187 1513 N C 0.545 176.030 175.510 -0.042 0.000 1.099 1513 N CA -0.077 52.944 53.050 -0.049 0.000 0.867 1513 N CB -0.243 38.218 38.487 -0.044 0.000 0.974 1513 N HN 0.669 nan 8.380 nan 0.000 0.477 1514 I N 1.925 122.466 120.570 -0.048 0.000 3.058 1514 I HA -0.182 3.987 4.170 -0.000 0.000 0.299 1514 I C 0.788 176.886 176.117 -0.032 0.000 1.238 1514 I CA 0.710 61.984 61.300 -0.043 0.000 1.423 1514 I CB 0.278 38.245 38.000 -0.054 0.000 1.330 1514 I HN 0.104 nan 8.210 nan 0.000 0.589 1515 K N 6.209 126.592 120.400 -0.028 0.000 2.675 1515 K HA 0.542 4.862 4.320 -0.000 0.000 0.224 1515 K C -1.272 175.314 176.600 -0.024 0.000 1.003 1515 K CA -0.521 55.756 56.287 -0.017 0.000 1.034 1515 K CB 0.543 33.037 32.500 -0.009 0.000 1.218 1515 K HN 0.461 nan 8.250 nan 0.000 0.507 1516 I N 1.189 121.736 120.570 -0.038 0.000 2.353 1516 I HA 0.288 4.457 4.170 -0.000 0.000 0.293 1516 I C -0.610 175.487 176.117 -0.032 0.000 0.992 1516 I CA -0.996 60.269 61.300 -0.057 0.000 1.268 1516 I CB 1.315 39.242 38.000 -0.123 0.000 1.387 1516 I HN 0.434 nan 8.210 nan 0.000 0.478 1517 Q N 5.639 125.424 119.800 -0.026 0.000 2.340 1517 Q HA 0.609 4.949 4.340 -0.000 0.000 0.268 1517 Q C -1.256 174.736 176.000 -0.013 0.000 1.031 1517 Q CA -0.650 55.151 55.803 -0.004 0.000 0.804 1517 Q CB 2.715 31.454 28.738 0.001 0.000 1.286 1517 Q HN 0.494 nan 8.270 nan 0.000 0.448 1518 K N 0.864 121.267 120.400 0.004 0.000 2.469 1518 K HA 0.494 4.814 4.320 -0.000 0.000 0.254 1518 K C -0.248 176.360 176.600 0.015 0.000 0.939 1518 K CA -0.663 55.624 56.287 -0.000 0.000 0.812 1518 K CB 2.299 34.792 32.500 -0.011 0.000 1.301 1518 K HN 0.245 nan 8.250 nan 0.000 0.433 1519 V N -0.178 119.741 119.914 0.008 0.000 2.325 1519 V HA -0.059 4.061 4.120 -0.000 0.000 0.229 1519 V C 0.403 176.506 176.094 0.015 0.000 1.062 1519 V CA 0.700 63.007 62.300 0.010 0.000 1.039 1519 V CB 0.127 31.953 31.823 0.004 0.000 0.667 1519 V HN 0.874 nan 8.190 nan 0.000 0.474 1520 c N 0.947 119.555 118.600 0.012 0.000 3.166 1520 c HA 0.340 4.910 4.570 -0.000 0.000 0.277 1520 c C -0.115 173.982 174.090 0.012 0.000 0.984 1520 c CA -0.996 55.342 56.329 0.015 0.000 1.142 1520 c CB -0.999 41.519 42.510 0.012 0.000 1.721 1520 c HN 0.589 nan 8.230 nan 0.000 0.628 1521 E N 0.768 120.975 120.200 0.012 0.000 2.250 1521 E HA 0.551 4.901 4.350 -0.000 0.000 0.265 1521 E C 0.724 177.332 176.600 0.013 0.000 1.033 1521 E CA -0.484 55.920 56.400 0.007 0.000 0.888 1521 E CB 1.246 30.945 29.700 -0.001 0.000 1.151 1521 E HN 0.616 nan 8.360 nan 0.000 0.412 1522 G N -0.247 108.559 108.800 0.009 0.000 2.667 1522 G HA2 0.283 4.243 3.960 -0.000 0.000 0.250 1522 G HA3 0.283 4.243 3.960 -0.000 0.000 0.250 1522 G C 0.543 175.454 174.900 0.019 0.000 1.212 1522 G CA 0.133 45.242 45.100 0.014 0.000 0.874 1522 G HN 0.698 nan 8.290 nan 0.000 0.561 1523 A N -1.896 120.940 122.820 0.027 0.000 2.790 1523 A HA 0.068 4.387 4.320 -0.000 0.000 0.277 1523 A C 1.313 178.926 177.584 0.047 0.000 1.435 1523 A CA 2.493 54.550 52.037 0.034 0.000 0.877 1523 A CB -1.589 17.425 19.000 0.023 0.000 1.007 1523 A HN 2.485 nan 8.150 nan 0.000 0.613 1524 A N -2.517 120.337 122.820 0.057 0.000 1.508 1524 A HA 0.520 4.839 4.320 -0.000 0.000 0.143 1524 A C 1.340 178.987 177.584 0.106 0.000 1.532 1524 A CA 0.910 53.008 52.037 0.102 0.000 2.572 1524 A CB -0.730 18.313 19.000 0.071 0.000 2.693 1524 A HN 2.083 nan 8.150 nan 0.000 1.315 1525 c N 1.740 120.390 118.600 0.082 0.000 2.835 1525 c HA 0.378 4.948 4.570 -0.000 0.000 0.340 1525 c C 1.746 175.859 174.090 0.039 0.000 1.387 1525 c CA 1.729 58.097 56.329 0.065 0.000 2.196 1525 c CB -0.238 42.300 42.510 0.046 0.000 2.473 1525 c HN 1.595 nan 8.230 nan 0.000 0.757 1526 K N -0.550 119.864 120.400 0.024 0.000 3.088 1526 K HA -0.216 4.103 4.320 -0.000 0.000 0.273 1526 K C 0.087 176.690 176.600 0.005 0.000 1.111 1526 K CA 1.247 57.540 56.287 0.011 0.000 0.803 1526 K CB -2.306 30.200 32.500 0.010 0.000 1.226 1526 K HN 0.785 nan 8.250 nan 0.000 0.485 1527 c N -1.479 117.123 118.600 0.003 0.000 4.217 1527 c HA 0.172 4.742 4.570 -0.000 0.000 0.338 1527 c C 1.337 175.406 174.090 -0.034 0.000 2.461 1527 c CA 0.019 56.342 56.329 -0.010 0.000 1.487 1527 c CB 0.223 42.734 42.510 0.002 0.000 2.494 1527 c HN 0.483 nan 8.230 nan 0.000 0.490 1528 V N -0.022 119.869 119.914 -0.039 0.000 2.950 1528 V HA 0.131 4.251 4.120 -0.000 0.000 0.231 1528 V C 1.997 178.016 176.094 -0.124 0.000 1.205 1528 V CA 1.418 63.637 62.300 -0.135 0.000 1.239 1528 V CB -0.298 31.388 31.823 -0.228 0.000 1.050 1528 V HN 0.324 nan 8.190 nan 0.000 0.498 1529 E N 1.845 122.010 120.200 -0.059 0.000 2.409 1529 E HA -0.038 4.312 4.350 -0.000 0.000 0.198 1529 E C 1.219 177.797 176.600 -0.036 0.000 1.024 1529 E CA 0.951 57.327 56.400 -0.040 0.000 0.861 1529 E CB -0.162 29.537 29.700 -0.001 0.000 0.788 1529 E HN 0.566 nan 8.360 nan 0.000 0.521 1530 A N 0.313 123.112 122.820 -0.035 0.000 3.197 1530 A HA 0.195 4.515 4.320 -0.000 0.000 0.263 1530 A C 0.144 177.704 177.584 -0.040 0.000 1.524 1530 A CA 0.092 52.111 52.037 -0.029 0.000 1.176 1530 A CB -0.100 18.889 19.000 -0.019 0.000 1.096 1530 A HN 0.231 nan 8.150 nan 0.000 0.655 1531 D N -1.525 118.845 120.400 -0.050 0.000 2.559 1531 D HA 0.031 4.670 4.640 -0.000 0.000 0.431 1531 D C 0.039 176.308 176.300 -0.052 0.000 1.221 1531 D CA -0.069 53.900 54.000 -0.052 0.000 1.007 1531 D CB -0.027 40.735 40.800 -0.064 0.000 1.539 1531 D HN 0.431 nan 8.370 nan 0.000 0.407 1532 C N 0.000 119.269 119.300 -0.052 0.000 2.653 1532 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 1532 C CA 0.000 58.990 59.018 -0.047 0.000 1.963 1532 C CB 0.000 27.713 27.740 -0.045 0.000 2.134 1532 C HN 0.000 nan 8.230 nan 0.000 0.568