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 3km9_1_A 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 ISXXXXXXGR 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 SNI 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 0.000 174.794 174.700 0.157 0.000 1.109 22 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 22 T CB 0.000 68.856 68.868 -0.021 0.000 0.612 23 Y N -0.746 119.575 120.300 0.034 0.000 2.429 23 Y HA 0.907 5.552 4.550 0.157 0.000 0.342 23 Y C -1.129 174.798 175.900 0.045 0.000 1.004 23 Y CA -2.671 55.468 58.100 0.064 0.000 1.075 23 Y CB 0.632 39.117 38.460 0.042 0.000 1.214 23 Y HN 0.679 nan 8.280 nan 0.000 0.455 24 V N 5.171 125.217 119.914 0.221 0.000 2.656 24 V HA 0.560 4.774 4.120 0.156 0.000 0.307 24 V C -0.883 175.225 176.094 0.024 0.000 1.051 24 V CA -0.780 61.568 62.300 0.080 0.000 0.893 24 V CB 2.069 33.998 31.823 0.177 0.000 0.999 24 V HN 0.681 nan 8.190 nan 0.000 0.426 25 I N 3.764 124.289 120.570 -0.075 0.000 2.576 25 I HA 0.324 4.588 4.170 0.156 0.000 0.279 25 I C 0.025 176.091 176.117 -0.086 0.000 1.114 25 I CA -0.038 61.210 61.300 -0.088 0.000 1.076 25 I CB 1.626 39.536 38.000 -0.150 0.000 1.212 25 I HN 0.501 nan 8.210 nan 0.000 0.472 26 S N 3.912 119.586 115.700 -0.043 0.000 2.632 26 S HA 0.923 5.487 4.470 0.156 0.000 0.271 26 S C 0.207 174.786 174.600 -0.035 0.000 1.260 26 S CA -0.500 57.690 58.200 -0.017 0.000 1.010 26 S CB 2.400 65.641 63.200 0.069 0.000 0.965 26 S HN 0.807 nan 8.310 nan 0.000 0.534 27 A N 1.459 124.259 122.820 -0.034 0.000 2.586 27 A HA 0.766 5.180 4.320 0.156 0.000 0.291 27 A C -3.230 174.284 177.584 -0.117 0.000 1.062 27 A CA -1.525 50.477 52.037 -0.058 0.000 0.666 27 A CB 0.265 19.241 19.000 -0.040 0.000 1.281 27 A HN 0.514 nan 8.150 nan 0.000 0.421 28 P HA 0.104 nan 4.420 nan 0.000 0.273 28 P C 0.415 177.554 177.300 -0.269 0.000 1.252 28 P CA 0.150 63.137 63.100 -0.189 0.000 0.809 28 P CB 0.503 32.065 31.700 -0.231 0.000 1.017 29 K N 0.173 120.448 120.400 -0.208 0.000 2.418 29 K HA 0.095 4.509 4.320 0.156 0.000 0.195 29 K C 0.270 176.673 176.600 -0.327 0.000 1.035 29 K CA 1.306 57.446 56.287 -0.245 0.000 1.003 29 K CB -0.080 32.332 32.500 -0.147 0.000 0.793 29 K HN 0.245 nan 8.250 nan 0.000 0.494 30 I N -0.961 119.380 120.570 -0.383 0.000 3.352 30 I HA 0.348 4.612 4.170 0.156 0.000 0.316 30 I C -0.526 175.258 176.117 -0.555 0.000 1.214 30 I CA -1.018 60.032 61.300 -0.416 0.000 0.934 30 I CB 1.150 39.028 38.000 -0.203 0.000 1.310 30 I HN -0.203 nan 8.210 nan 0.000 0.475 31 F N 0.683 120.564 119.950 -0.115 0.000 2.618 31 F HA 0.694 5.314 4.527 0.155 0.000 0.332 31 F C 0.248 175.973 175.800 -0.125 0.000 1.061 31 F CA -0.751 57.182 58.000 -0.112 0.000 0.974 31 F CB 1.973 40.899 39.000 -0.124 0.000 1.310 31 F HN 0.130 nan 8.300 nan 0.000 0.491 32 R N -0.033 120.539 120.500 0.120 0.000 2.771 32 R HA 0.637 5.071 4.340 0.156 0.000 0.274 32 R C -1.682 174.617 176.300 -0.001 0.000 0.987 32 R CA -1.073 55.032 56.100 0.007 0.000 0.908 32 R CB 2.469 32.747 30.300 -0.036 0.000 1.213 32 R HN 0.352 nan 8.270 nan 0.000 0.468 33 V N 1.496 121.423 119.914 0.021 0.000 2.637 33 V HA 0.233 4.447 4.120 0.156 0.000 0.296 33 V C 1.247 177.470 176.094 0.216 0.000 1.046 33 V CA 0.633 63.005 62.300 0.119 0.000 1.066 33 V CB 0.950 32.939 31.823 0.278 0.000 0.968 33 V HN 1.070 nan 8.190 nan 0.000 0.483 34 G N 3.178 112.069 108.800 0.151 0.000 2.249 34 G HA2 -0.050 4.004 3.960 0.156 0.000 0.273 34 G HA3 -0.050 4.004 3.960 0.156 0.000 0.273 34 G C 0.214 175.120 174.900 0.011 0.000 1.036 34 G CA 0.151 45.333 45.100 0.136 0.000 0.824 34 G HN 1.657 nan 8.290 nan 0.000 0.504 35 A N 0.096 122.914 122.820 -0.003 0.000 2.258 35 A HA 0.743 5.157 4.320 0.156 0.000 0.316 35 A C 0.836 178.424 177.584 0.006 0.000 1.279 35 A CA 0.414 52.441 52.037 -0.016 0.000 0.876 35 A CB 0.867 19.866 19.000 -0.002 0.000 1.170 35 A HN 1.052 nan 8.150 nan 0.000 0.520 36 S N 3.314 119.017 115.700 0.005 0.000 3.988 36 S HA 0.036 4.600 4.470 0.156 0.000 0.180 36 S C 0.076 174.692 174.600 0.027 0.000 1.242 36 S CA -0.113 58.096 58.200 0.016 0.000 0.947 36 S CB -0.646 62.563 63.200 0.015 0.000 1.519 36 S HN 0.684 nan 8.310 nan 0.000 0.439 37 E N 3.024 123.251 120.200 0.044 0.000 2.498 37 E HA 0.026 4.470 4.350 0.156 0.000 0.252 37 E C -0.164 176.466 176.600 0.049 0.000 1.025 37 E CA 0.038 56.484 56.400 0.077 0.000 0.938 37 E CB 0.041 29.842 29.700 0.170 0.000 0.947 37 E HN 0.364 nan 8.360 nan 0.000 0.478 38 N N 3.122 121.838 118.700 0.027 0.000 2.488 38 N HA 0.231 5.065 4.740 0.156 0.000 0.274 38 N C -0.267 175.232 175.510 -0.020 0.000 1.111 38 N CA -0.153 52.892 53.050 -0.008 0.000 0.974 38 N CB 0.839 39.310 38.487 -0.028 0.000 1.089 38 N HN 0.286 nan 8.380 nan 0.000 0.465 39 I N 2.383 122.925 120.570 -0.047 0.000 2.517 39 I HA 0.133 4.397 4.170 0.156 0.000 0.280 39 I C -0.034 176.001 176.117 -0.135 0.000 1.061 39 I CA -0.972 60.291 61.300 -0.061 0.000 1.091 39 I CB 0.900 38.897 38.000 -0.006 0.000 1.205 39 I HN 0.160 nan 8.210 nan 0.000 0.459 40 V N 5.459 125.234 119.914 -0.232 0.000 2.686 40 V HA 0.671 4.884 4.120 0.156 0.000 0.295 40 V C -0.109 175.864 176.094 -0.200 0.000 1.057 40 V CA -0.440 61.623 62.300 -0.395 0.000 1.012 40 V CB 2.461 33.799 31.823 -0.808 0.000 1.006 40 V HN 0.647 nan 8.190 nan 0.000 0.477 41 I N 3.839 124.331 120.570 -0.130 0.000 2.545 41 I HA 0.667 4.931 4.170 0.156 0.000 0.292 41 I C -0.871 175.313 176.117 0.111 0.000 1.040 41 I CA -0.402 60.895 61.300 -0.004 0.000 1.068 41 I CB 1.657 39.653 38.000 -0.007 0.000 1.251 41 I HN 1.112 nan 8.210 nan 0.000 0.424 42 Q N 7.085 126.998 119.800 0.189 0.000 2.435 42 Q HA 0.666 5.100 4.340 0.156 0.000 0.282 42 Q C -2.454 173.723 176.000 0.295 0.000 1.020 42 Q CA -0.606 55.365 55.803 0.280 0.000 0.820 42 Q CB 3.118 32.069 28.738 0.355 0.000 1.436 42 Q HN 0.660 nan 8.270 nan 0.000 0.395 43 V N 3.056 123.159 119.914 0.315 0.000 3.098 43 V HA 0.286 4.500 4.120 0.156 0.000 0.294 43 V C -1.724 174.525 176.094 0.257 0.000 1.351 43 V CA -0.443 62.035 62.300 0.297 0.000 0.999 43 V CB 2.235 34.227 31.823 0.280 0.000 1.104 43 V HN 0.934 nan 8.190 nan 0.000 0.438 44 Y N 3.947 124.304 120.300 0.096 0.000 2.547 44 Y HA 0.535 5.179 4.550 0.156 0.000 0.325 44 Y C 1.184 177.020 175.900 -0.107 0.000 1.165 44 Y CA 0.243 58.383 58.100 0.067 0.000 1.300 44 Y CB -0.220 38.298 38.460 0.097 0.000 1.126 44 Y HN 0.778 nan 8.280 nan 0.000 0.513 45 G N 0.205 108.770 108.800 -0.393 0.000 2.554 45 G HA2 0.094 4.148 3.960 0.156 0.000 0.238 45 G HA3 0.094 4.148 3.960 0.156 0.000 0.238 45 G C -0.474 173.988 174.900 -0.729 0.000 1.259 45 G CA -0.326 44.277 45.100 -0.828 0.000 0.843 45 G HN 0.472 nan 8.290 nan 0.000 0.582 46 Y N -0.978 119.105 120.300 -0.361 0.000 2.230 46 Y HA 0.397 5.041 4.550 0.157 0.000 0.354 46 Y C 2.036 177.973 175.900 0.062 0.000 1.343 46 Y CA -0.250 57.764 58.100 -0.144 0.000 1.693 46 Y CB -0.667 37.715 38.460 -0.131 0.000 1.553 46 Y HN 0.436 nan 8.280 nan 0.000 0.599 47 T N -1.019 113.774 114.554 0.398 0.000 2.714 47 T HA -0.259 4.184 4.350 0.156 0.000 0.268 47 T C 0.477 175.421 174.700 0.408 0.000 1.036 47 T CA 1.989 64.296 62.100 0.345 0.000 1.148 47 T CB -0.534 68.460 68.868 0.211 0.000 0.856 47 T HN 0.609 nan 8.240 nan 0.000 0.462 48 E N 1.834 122.300 120.200 0.444 0.000 2.463 48 E HA 0.362 4.806 4.350 0.156 0.000 0.248 48 E C 0.071 176.980 176.600 0.516 0.000 1.106 48 E CA -0.202 56.424 56.400 0.377 0.000 0.946 48 E CB -0.240 29.679 29.700 0.365 0.000 0.971 48 E HN 0.438 nan 8.360 nan 0.000 0.478 49 A N 4.686 127.796 122.820 0.483 0.000 2.507 49 A HA 0.416 4.830 4.320 0.156 0.000 0.235 49 A C -0.247 177.717 177.584 0.635 0.000 1.070 49 A CA 0.324 52.669 52.037 0.512 0.000 0.768 49 A CB -0.194 18.982 19.000 0.294 0.000 1.011 49 A HN 0.686 nan 8.150 nan 0.000 0.502 50 F N -1.019 119.065 119.950 0.223 0.000 2.665 50 F HA 0.576 5.197 4.527 0.157 0.000 0.308 50 F C -0.947 174.919 175.800 0.110 0.000 1.112 50 F CA -1.359 56.758 58.000 0.195 0.000 0.972 50 F CB 0.813 39.884 39.000 0.118 0.000 1.295 50 F HN 0.439 nan 8.300 nan 0.000 0.440 51 D N 1.566 122.124 120.400 0.262 0.000 2.357 51 D HA 0.617 5.351 4.640 0.156 0.000 0.242 51 D C -0.766 175.487 176.300 -0.078 0.000 1.153 51 D CA 0.416 54.496 54.000 0.134 0.000 0.918 51 D CB 1.698 42.591 40.800 0.156 0.000 1.181 51 D HN 0.977 nan 8.370 nan 0.000 0.435 52 A N 1.206 123.910 122.820 -0.194 0.000 2.547 52 A HA 0.462 4.876 4.320 0.156 0.000 0.279 52 A C -0.718 176.751 177.584 -0.192 0.000 1.088 52 A CA -0.664 51.277 52.037 -0.160 0.000 0.796 52 A CB 1.116 20.010 19.000 -0.177 0.000 1.308 52 A HN 0.335 nan 8.150 nan 0.000 0.415 53 T N 3.504 117.974 114.554 -0.140 0.000 2.779 53 T HA 0.625 5.069 4.350 0.156 0.000 0.280 53 T C 0.070 174.763 174.700 -0.011 0.000 0.987 53 T CA -0.052 62.001 62.100 -0.079 0.000 0.966 53 T CB 0.406 69.258 68.868 -0.026 0.000 0.933 53 T HN 0.494 nan 8.240 nan 0.000 0.442 54 I N 2.330 122.901 120.570 0.002 0.000 2.947 54 I HA 0.769 5.033 4.170 0.156 0.000 0.314 54 I C 0.411 176.545 176.117 0.029 0.000 1.028 54 I CA -0.700 60.608 61.300 0.014 0.000 1.077 54 I CB 1.922 39.926 38.000 0.007 0.000 1.274 54 I HN 0.761 nan 8.210 nan 0.000 0.485 55 S N 2.181 117.900 115.700 0.033 0.000 2.663 55 S HA 0.538 5.102 4.470 0.156 0.000 0.264 55 S C -1.181 173.448 174.600 0.048 0.000 1.112 55 S CA -1.044 57.182 58.200 0.042 0.000 0.823 55 S CB 1.162 64.388 63.200 0.045 0.000 1.111 55 S HN 0.620 nan 8.310 nan 0.000 0.476 56 I N -1.000 119.620 120.570 0.084 0.000 2.411 56 I HA 0.720 4.984 4.170 0.156 0.000 0.284 56 I C -0.989 175.279 176.117 0.251 0.000 1.012 56 I CA -0.674 60.698 61.300 0.120 0.000 1.119 56 I CB 1.298 39.350 38.000 0.086 0.000 1.261 56 I HN 0.559 nan 8.210 nan 0.000 0.448 57 K N 3.680 124.206 120.400 0.209 0.000 2.395 57 K HA 0.558 4.972 4.320 0.156 0.000 0.247 57 K C -0.366 176.394 176.600 0.267 0.000 0.973 57 K CA -0.800 55.583 56.287 0.160 0.000 0.828 57 K CB 2.622 35.158 32.500 0.061 0.000 1.272 57 K HN 0.790 nan 8.250 nan 0.000 0.439 58 S N 1.182 117.003 115.700 0.201 0.000 2.537 58 S HA 0.113 4.677 4.470 0.156 0.000 0.275 58 S C 0.696 175.400 174.600 0.172 0.000 1.272 58 S CA -0.632 57.725 58.200 0.261 0.000 1.050 58 S CB 0.412 63.758 63.200 0.243 0.000 0.961 58 S HN 0.646 nan 8.310 nan 0.000 0.496 59 Y N 4.195 124.569 120.300 0.124 0.000 1.327 59 Y HA -0.296 4.349 4.550 0.157 0.000 0.085 59 Y C -1.441 174.195 175.900 -0.439 0.000 0.599 59 Y CA 2.507 60.642 58.100 0.059 0.000 0.263 59 Y CB -1.985 36.546 38.460 0.119 0.000 0.530 59 Y HN 0.548 nan 8.280 nan 0.000 0.813 60 P HA 0.013 nan 4.420 nan 0.000 0.221 60 P C -0.646 176.389 177.300 -0.441 0.000 1.155 60 P CA 1.712 64.394 63.100 -0.698 0.000 0.812 60 P CB -0.202 31.181 31.700 -0.528 0.000 0.801 61 D N 0.796 121.041 120.400 -0.259 0.000 2.393 61 D HA 0.033 4.767 4.640 0.156 0.000 0.232 61 D C -0.242 175.962 176.300 -0.160 0.000 1.192 61 D CA -0.389 53.508 54.000 -0.171 0.000 0.882 61 D CB 0.762 41.509 40.800 -0.088 0.000 1.038 61 D HN 0.036 nan 8.370 nan 0.000 0.499 62 K N 2.146 122.439 120.400 -0.178 0.000 3.387 62 K HA -0.038 4.376 4.320 0.156 0.000 0.300 62 K C 1.109 177.654 176.600 -0.091 0.000 0.980 62 K CA -0.105 56.106 56.287 -0.126 0.000 1.098 62 K CB 0.240 32.678 32.500 -0.104 0.000 1.227 62 K HN 0.235 nan 8.250 nan 0.000 0.367 63 K N 0.191 120.541 120.400 -0.083 0.000 2.054 63 K HA 0.049 4.463 4.320 0.156 0.000 0.207 63 K C 0.547 177.061 176.600 -0.144 0.000 1.031 63 K CA 0.693 56.915 56.287 -0.108 0.000 0.952 63 K CB -0.285 32.156 32.500 -0.100 0.000 0.775 63 K HN 0.119 nan 8.250 nan 0.000 0.447 64 F N 2.368 122.201 119.950 -0.195 0.000 2.572 64 F HA -0.071 4.551 4.527 0.160 0.000 0.370 64 F C 0.619 176.135 175.800 -0.475 0.000 1.103 64 F CA 0.252 58.048 58.000 -0.340 0.000 1.286 64 F CB 0.562 39.319 39.000 -0.405 0.000 1.105 64 F HN 0.017 nan 8.300 nan 0.000 0.583 65 S N 4.072 119.638 115.700 -0.223 0.000 2.789 65 S HA 0.310 4.873 4.470 0.156 0.000 0.286 65 S C -0.168 174.332 174.600 -0.167 0.000 1.153 65 S CA -0.795 57.270 58.200 -0.225 0.000 1.084 65 S CB 0.243 63.389 63.200 -0.089 0.000 1.036 65 S HN 0.573 nan 8.310 nan 0.000 0.484 66 Y N 2.937 123.303 120.300 0.110 0.000 2.184 66 Y HA 0.171 4.816 4.550 0.158 0.000 0.290 66 Y C 1.615 177.542 175.900 0.044 0.000 1.129 66 Y CA 0.870 59.014 58.100 0.074 0.000 1.144 66 Y CB -0.221 38.237 38.460 -0.002 0.000 0.995 66 Y HN 0.937 nan 8.280 nan 0.000 0.513 67 S N -1.355 114.452 115.700 0.179 0.000 2.661 67 S HA 0.746 5.310 4.470 0.156 0.000 0.268 67 S C -0.652 173.992 174.600 0.073 0.000 1.162 67 S CA -0.286 57.974 58.200 0.100 0.000 0.817 67 S CB 1.855 65.106 63.200 0.085 0.000 1.141 67 S HN 0.378 nan 8.310 nan 0.000 0.477 68 S N -0.746 114.990 115.700 0.059 0.000 2.703 68 S HA 0.926 5.490 4.470 0.156 0.000 0.273 68 S C -0.452 174.183 174.600 0.059 0.000 1.178 68 S CA -0.444 57.789 58.200 0.055 0.000 0.838 68 S CB 0.798 64.033 63.200 0.058 0.000 1.178 68 S HN 2.362 nan 8.310 nan 0.000 0.494 69 G N -0.181 108.659 108.800 0.066 0.000 2.715 69 G HA2 0.499 4.553 3.960 0.156 0.000 0.297 69 G HA3 0.499 4.553 3.960 0.156 0.000 0.297 69 G C -1.965 172.991 174.900 0.093 0.000 1.386 69 G CA -0.722 44.424 45.100 0.077 0.000 1.157 69 G HN 0.914 nan 8.290 nan 0.000 0.585 70 H N 1.857 120.946 119.070 0.032 0.000 2.820 70 H HA 0.429 5.078 4.556 0.156 0.000 0.248 70 H C 0.491 175.849 175.328 0.050 0.000 1.714 70 H CA -0.220 55.853 56.048 0.041 0.000 1.334 70 H CB 0.472 30.257 29.762 0.038 0.000 1.693 70 H HN 0.504 nan 8.280 nan 0.000 0.548 71 V N 2.261 122.164 119.914 -0.018 0.000 2.288 71 V HA 0.241 4.455 4.120 0.156 0.000 0.266 71 V C -0.029 176.046 176.094 -0.032 0.000 1.048 71 V CA -0.990 61.316 62.300 0.010 0.000 0.842 71 V CB 0.131 31.954 31.823 0.000 0.000 1.064 71 V HN 0.655 nan 8.190 nan 0.000 0.472 72 H N 6.335 125.369 119.070 -0.061 0.000 2.668 72 H HA 0.649 5.299 4.556 0.156 0.000 0.303 72 H C -0.140 175.126 175.328 -0.103 0.000 1.074 72 H CA -0.535 55.457 56.048 -0.093 0.000 1.406 72 H CB 1.122 30.877 29.762 -0.012 0.000 1.442 72 H HN 0.883 nan 8.280 nan 0.000 0.482 73 L N 3.043 123.825 121.223 -0.735 0.000 2.416 73 L HA 0.735 5.169 4.340 0.156 0.000 0.262 73 L C -0.124 176.275 176.870 -0.784 0.000 1.093 73 L CA -0.894 53.602 54.840 -0.572 0.000 0.801 73 L CB 1.516 43.387 42.059 -0.313 0.000 1.191 73 L HN 0.771 nan 8.230 nan 0.000 0.459 74 S N -1.242 114.022 115.700 -0.726 0.000 2.636 74 S HA 0.251 4.815 4.470 0.156 0.000 0.266 74 S C 0.233 174.189 174.600 -1.074 0.000 1.147 74 S CA -0.219 57.473 58.200 -0.847 0.000 0.815 74 S CB 1.043 64.084 63.200 -0.264 0.000 1.119 74 S HN 0.526 nan 8.310 nan 0.000 0.470 75 S N 0.390 115.608 115.700 -0.803 0.000 2.442 75 S HA -0.090 4.474 4.470 0.156 0.000 0.236 75 S C 1.537 175.978 174.600 -0.265 0.000 1.007 75 S CA 1.492 59.416 58.200 -0.460 0.000 0.965 75 S CB -0.535 62.569 63.200 -0.161 0.000 0.773 75 S HN 0.729 nan 8.310 nan 0.000 0.504 76 E N 1.188 121.254 120.200 -0.223 0.000 2.152 76 E HA -0.087 4.357 4.350 0.156 0.000 0.192 76 E C 1.179 177.699 176.600 -0.134 0.000 0.983 76 E CA 0.670 56.994 56.400 -0.127 0.000 0.818 76 E CB 0.017 29.672 29.700 -0.075 0.000 0.758 76 E HN 0.231 nan 8.360 nan 0.000 0.467 77 N N 0.631 119.212 118.700 -0.198 0.000 2.251 77 N HA 0.012 4.846 4.740 0.156 0.000 0.217 77 N C -0.628 174.778 175.510 -0.173 0.000 1.124 77 N CA 0.080 53.036 53.050 -0.156 0.000 0.843 77 N CB 0.213 38.619 38.487 -0.135 0.000 1.024 77 N HN 0.010 nan 8.380 nan 0.000 0.501 78 K N 0.330 120.599 120.400 -0.219 0.000 2.914 78 K HA -0.251 4.163 4.320 0.156 0.000 0.253 78 K C -0.558 176.037 176.600 -0.009 0.000 0.986 78 K CA 0.456 56.655 56.287 -0.145 0.000 0.730 78 K CB -2.541 29.895 32.500 -0.106 0.000 1.228 78 K HN 0.486 nan 8.250 nan 0.000 0.483 79 F N -0.715 119.212 119.950 -0.038 0.000 2.576 79 F HA -0.326 4.295 4.527 0.156 0.000 0.316 79 F C 0.617 176.424 175.800 0.012 0.000 1.063 79 F CA 1.010 58.989 58.000 -0.035 0.000 1.093 79 F CB -1.045 37.986 39.000 0.052 0.000 1.399 79 F HN 0.271 nan 8.300 nan 0.000 0.819 80 Q N 0.761 120.637 119.800 0.125 0.000 2.522 80 Q HA 0.650 5.084 4.340 0.156 0.000 0.285 80 Q C -0.879 175.217 176.000 0.160 0.000 0.982 80 Q CA -1.356 54.576 55.803 0.215 0.000 0.805 80 Q CB 3.260 32.187 28.738 0.315 0.000 1.457 80 Q HN 0.353 nan 8.270 nan 0.000 0.394 81 N N -0.527 118.281 118.700 0.180 0.000 3.521 81 N HA 0.241 5.075 4.740 0.156 0.000 0.228 81 N C -1.872 173.638 175.510 -0.000 0.000 1.328 81 N CA -0.201 52.915 53.050 0.111 0.000 0.907 81 N CB 2.300 40.805 38.487 0.030 0.000 1.487 81 N HN 0.476 nan 8.380 nan 0.000 0.503 82 S N 0.090 115.794 115.700 0.007 0.000 2.578 82 S HA 0.930 5.494 4.470 0.156 0.000 0.301 82 S C -0.852 173.737 174.600 -0.019 0.000 1.091 82 S CA -0.566 57.601 58.200 -0.055 0.000 1.032 82 S CB 1.769 64.947 63.200 -0.037 0.000 1.064 82 S HN 0.681 nan 8.310 nan 0.000 0.508 83 A N 2.023 124.827 122.820 -0.027 0.000 2.429 83 A HA 0.570 4.984 4.320 0.156 0.000 0.289 83 A C -0.394 177.192 177.584 0.004 0.000 1.043 83 A CA -0.797 51.239 52.037 -0.002 0.000 0.722 83 A CB 0.343 19.342 19.000 -0.000 0.000 1.243 83 A HN 0.920 nan 8.150 nan 0.000 0.415 84 I N 2.113 122.692 120.570 0.014 0.000 2.278 84 I HA 0.336 4.600 4.170 0.156 0.000 0.300 84 I C -0.155 175.975 176.117 0.022 0.000 1.174 84 I CA -0.641 60.670 61.300 0.018 0.000 1.347 84 I CB -0.369 37.644 38.000 0.020 0.000 1.473 84 I HN 0.290 nan 8.210 nan 0.000 0.595 85 L N 4.161 125.396 121.223 0.019 0.000 2.469 85 L HA 0.368 4.802 4.340 0.156 0.000 0.172 85 L C 0.796 177.669 176.870 0.004 0.000 1.042 85 L CA 0.218 55.066 54.840 0.013 0.000 0.992 85 L CB -0.473 41.582 42.059 -0.006 0.000 1.556 85 L HN 0.815 nan 8.230 nan 0.000 0.497 86 T N 0.053 114.594 114.554 -0.021 0.000 3.976 86 T HA 0.173 4.617 4.350 0.156 0.000 0.365 86 T C -0.876 173.769 174.700 -0.091 0.000 0.833 86 T CA -0.579 61.496 62.100 -0.041 0.000 0.982 86 T CB -0.441 68.425 68.868 -0.003 0.000 1.266 86 T HN 0.316 nan 8.240 nan 0.000 0.441 87 I N 5.899 126.340 120.570 -0.216 0.000 2.471 87 I HA 0.141 4.405 4.170 0.156 0.000 0.294 87 I C 1.423 177.395 176.117 -0.242 0.000 1.123 87 I CA -0.208 60.849 61.300 -0.406 0.000 1.336 87 I CB 0.492 38.172 38.000 -0.534 0.000 1.430 87 I HN 0.565 nan 8.210 nan 0.000 0.533 88 Q N 7.907 127.607 119.800 -0.166 0.000 2.397 88 Q HA 0.246 4.680 4.340 0.156 0.000 0.193 88 Q C -2.001 173.915 176.000 -0.140 0.000 1.083 88 Q CA -1.624 54.124 55.803 -0.092 0.000 1.108 88 Q CB -0.135 28.588 28.738 -0.026 0.000 1.172 88 Q HN 0.332 nan 8.270 nan 0.000 0.617 89 P HA 0.013 nan 4.420 nan 0.000 0.252 89 P C -0.225 177.014 177.300 -0.101 0.000 1.694 89 P CA 0.296 63.316 63.100 -0.134 0.000 1.163 89 P CB 0.124 31.715 31.700 -0.183 0.000 1.934 90 K N 0.692 121.025 120.400 -0.112 0.000 2.088 90 K HA 0.045 4.458 4.320 0.156 0.000 0.201 90 K C 0.756 177.303 176.600 -0.089 0.000 1.054 90 K CA 0.552 56.766 56.287 -0.122 0.000 1.025 90 K CB -0.853 31.540 32.500 -0.180 0.000 1.258 90 K HN 0.229 nan 8.250 nan 0.000 0.456 91 Q N 1.751 121.505 119.800 -0.077 0.000 2.557 91 Q HA -0.089 4.345 4.340 0.156 0.000 0.316 91 Q C 0.816 176.807 176.000 -0.015 0.000 1.130 91 Q CA 0.672 56.457 55.803 -0.030 0.000 1.065 91 Q CB -0.321 28.418 28.738 0.003 0.000 1.014 91 Q HN 0.319 nan 8.270 nan 0.000 0.397 92 L N 3.253 124.461 121.223 -0.026 0.000 2.766 92 L HA 0.187 4.620 4.340 0.156 0.000 0.242 92 L C -1.452 175.398 176.870 -0.033 0.000 1.136 92 L CA -0.795 54.021 54.840 -0.039 0.000 0.933 92 L CB -0.001 42.028 42.059 -0.050 0.000 1.241 92 L HN 0.313 nan 8.230 nan 0.000 0.522 93 P HA 0.117 nan 4.420 nan 0.000 0.267 93 P C 0.534 177.822 177.300 -0.020 0.000 1.328 93 P CA 0.129 63.221 63.100 -0.013 0.000 0.990 93 P CB 0.392 32.093 31.700 0.001 0.000 1.168 94 G N 1.977 110.757 108.800 -0.033 0.000 2.474 94 G HA2 0.302 4.356 3.960 0.156 0.000 0.233 94 G HA3 0.302 4.356 3.960 0.156 0.000 0.233 94 G C 1.040 175.926 174.900 -0.023 0.000 1.278 94 G CA 0.239 45.315 45.100 -0.040 0.000 0.861 94 G HN 0.778 nan 8.290 nan 0.000 0.567 95 G N 0.594 109.381 108.800 -0.022 0.000 3.757 95 G HA2 -0.321 3.733 3.960 0.156 0.000 0.215 95 G HA3 -0.321 3.733 3.960 0.156 0.000 0.215 95 G C 0.845 175.746 174.900 0.002 0.000 1.411 95 G CA 0.764 45.859 45.100 -0.008 0.000 0.896 95 G HN 1.126 nan 8.290 nan 0.000 0.581 96 Q N 1.652 121.455 119.800 0.006 0.000 2.326 96 Q HA 0.131 4.565 4.340 0.156 0.000 0.314 96 Q C -0.293 175.723 176.000 0.027 0.000 1.091 96 Q CA 0.456 56.270 55.803 0.017 0.000 0.974 96 Q CB 0.100 28.850 28.738 0.020 0.000 1.220 96 Q HN 0.477 nan 8.270 nan 0.000 0.398 97 N N 6.152 124.875 118.700 0.038 0.000 3.050 97 N HA 0.226 5.060 4.740 0.156 0.000 0.289 97 N C -2.432 173.127 175.510 0.082 0.000 1.209 97 N CA -0.979 52.106 53.050 0.060 0.000 1.154 97 N CB 0.228 38.746 38.487 0.052 0.000 1.444 97 N HN 0.440 nan 8.380 nan 0.000 0.529 98 P HA 0.233 nan 4.420 nan 0.000 0.279 98 P C 0.948 178.338 177.300 0.150 0.000 1.276 98 P CA -0.481 62.683 63.100 0.107 0.000 0.801 98 P CB 1.221 32.979 31.700 0.098 0.000 1.127 99 V N -2.136 117.833 119.914 0.092 0.000 0.922 99 V HA -0.264 3.950 4.120 0.156 0.000 0.044 99 V C 0.597 176.691 176.094 -0.001 0.000 2.417 99 V CA 2.171 64.487 62.300 0.026 0.000 3.362 99 V CB -2.727 29.105 31.823 0.013 0.000 1.327 99 V HN 0.712 nan 8.190 nan 0.000 1.064 100 S N 1.429 117.172 115.700 0.072 0.000 2.560 100 S HA 0.505 5.069 4.470 0.156 0.000 0.323 100 S C -0.506 174.268 174.600 0.290 0.000 1.191 100 S CA 0.360 58.639 58.200 0.131 0.000 1.231 100 S CB -0.547 62.767 63.200 0.191 0.000 1.224 100 S HN 0.785 nan 8.310 nan 0.000 0.545 101 Y N -1.906 118.322 120.300 -0.120 0.000 2.586 101 Y HA -0.069 4.574 4.550 0.156 0.000 0.043 101 Y C -0.210 175.698 175.900 0.012 0.000 1.812 101 Y CA -0.380 57.651 58.100 -0.115 0.000 1.370 101 Y CB -0.876 37.368 38.460 -0.359 0.000 2.022 101 Y HN 0.672 nan 8.280 nan 0.000 0.263 102 V N -0.741 119.324 119.914 0.251 0.000 3.206 102 V HA 0.842 5.056 4.120 0.156 0.000 0.305 102 V C -1.834 174.473 176.094 0.355 0.000 1.257 102 V CA -1.332 61.160 62.300 0.320 0.000 1.057 102 V CB 2.585 34.469 31.823 0.101 0.000 1.075 102 V HN 0.577 nan 8.190 nan 0.000 0.443 103 Y N 1.603 122.008 120.300 0.175 0.000 2.328 103 Y HA 0.791 5.435 4.550 0.155 0.000 0.337 103 Y C -0.230 175.710 175.900 0.067 0.000 0.966 103 Y CA -0.739 57.443 58.100 0.138 0.000 1.136 103 Y CB 1.835 40.368 38.460 0.121 0.000 1.170 103 Y HN 0.737 nan 8.280 nan 0.000 0.470 104 L N 3.915 125.221 121.223 0.140 0.000 2.309 104 L HA 0.532 4.966 4.340 0.156 0.000 0.282 104 L C -0.625 176.299 176.870 0.089 0.000 1.036 104 L CA -0.469 54.424 54.840 0.089 0.000 0.806 104 L CB 1.375 43.536 42.059 0.170 0.000 1.220 104 L HN 0.698 nan 8.230 nan 0.000 0.429 105 E N 2.936 123.179 120.200 0.071 0.000 2.272 105 E HA 0.685 5.129 4.350 0.156 0.000 0.269 105 E C -1.713 174.910 176.600 0.038 0.000 0.877 105 E CA -0.676 55.763 56.400 0.065 0.000 0.755 105 E CB 2.005 31.753 29.700 0.079 0.000 1.192 105 E HN 0.457 nan 8.360 nan 0.000 0.422 106 V N 2.680 122.612 119.914 0.031 0.000 3.113 106 V HA 0.667 4.881 4.120 0.156 0.000 0.316 106 V C -0.601 175.522 176.094 0.048 0.000 1.125 106 V CA -0.719 61.596 62.300 0.025 0.000 1.026 106 V CB 2.088 33.911 31.823 0.001 0.000 1.080 106 V HN 0.547 nan 8.190 nan 0.000 0.444 107 V N 0.473 120.419 119.914 0.053 0.000 3.147 107 V HA 0.920 5.134 4.120 0.156 0.000 0.306 107 V C -0.582 175.576 176.094 0.106 0.000 1.209 107 V CA -0.295 62.049 62.300 0.072 0.000 1.023 107 V CB 2.250 34.102 31.823 0.048 0.000 1.059 107 V HN 1.172 nan 8.190 nan 0.000 0.435 108 S N 1.154 116.944 115.700 0.151 0.000 2.663 108 S HA 0.379 4.942 4.470 0.156 0.000 0.264 108 S C -0.085 174.655 174.600 0.234 0.000 1.112 108 S CA -0.374 57.967 58.200 0.234 0.000 0.823 108 S CB 1.515 64.948 63.200 0.389 0.000 1.111 108 S HN 0.848 nan 8.310 nan 0.000 0.476 109 K N 0.755 121.334 120.400 0.299 0.000 2.155 109 K HA 0.055 4.469 4.320 0.156 0.000 0.203 109 K C 1.479 178.207 176.600 0.214 0.000 1.052 109 K CA 1.826 58.246 56.287 0.222 0.000 0.948 109 K CB -0.667 31.967 32.500 0.225 0.000 0.728 109 K HN 0.789 nan 8.250 nan 0.000 0.448 110 H N -1.852 117.276 119.070 0.098 0.000 2.563 110 H HA 0.239 4.889 4.556 0.157 0.000 0.264 110 H C -0.710 174.759 175.328 0.236 0.000 0.957 110 H CA -0.157 55.924 56.048 0.055 0.000 1.173 110 H CB 0.386 30.050 29.762 -0.163 0.000 1.420 110 H HN 0.182 nan 8.280 nan 0.000 0.551 111 F N -0.868 119.080 119.950 -0.003 0.000 3.593 111 F HA 0.303 4.923 4.527 0.156 0.000 0.323 111 F C -1.660 174.174 175.800 0.057 0.000 1.006 111 F CA -0.659 57.319 58.000 -0.038 0.000 0.812 111 F CB 1.165 40.078 39.000 -0.145 0.000 1.650 111 F HN -0.149 nan 8.300 nan 0.000 0.449 112 S N 1.877 117.680 115.700 0.171 0.000 2.548 112 S HA 0.678 5.242 4.470 0.156 0.000 0.278 112 S C -1.897 172.858 174.600 0.259 0.000 1.150 112 S CA -0.553 57.753 58.200 0.176 0.000 0.907 112 S CB 1.723 64.928 63.200 0.009 0.000 1.108 112 S HN 0.780 nan 8.310 nan 0.000 0.459 113 K N 1.067 121.580 120.400 0.188 0.000 2.579 113 K HA 0.840 5.254 4.320 0.156 0.000 0.284 113 K C -1.559 175.062 176.600 0.035 0.000 0.990 113 K CA -0.298 56.069 56.287 0.133 0.000 0.880 113 K CB 1.656 34.238 32.500 0.137 0.000 1.488 113 K HN 0.802 nan 8.250 nan 0.000 0.425 114 S N 0.349 116.059 115.700 0.017 0.000 2.655 114 S HA 0.720 5.284 4.470 0.156 0.000 0.266 114 S C -1.677 172.891 174.600 -0.053 0.000 1.149 114 S CA -1.063 57.146 58.200 0.015 0.000 0.818 114 S CB 1.558 64.824 63.200 0.109 0.000 1.130 114 S HN 0.757 nan 8.310 nan 0.000 0.476 115 K N -0.044 120.282 120.400 -0.124 0.000 2.607 115 K HA 0.580 4.994 4.320 0.156 0.000 0.287 115 K C -2.018 174.306 176.600 -0.460 0.000 0.996 115 K CA -0.664 55.468 56.287 -0.259 0.000 0.876 115 K CB 1.642 34.033 32.500 -0.181 0.000 1.496 115 K HN 0.721 nan 8.250 nan 0.000 0.415 116 R N 4.120 124.371 120.500 -0.415 0.000 2.494 116 R HA 0.604 5.038 4.340 0.156 0.000 0.305 116 R C -1.479 174.762 176.300 -0.098 0.000 0.959 116 R CA -0.435 55.504 56.100 -0.268 0.000 0.864 116 R CB 0.806 31.032 30.300 -0.124 0.000 1.159 116 R HN 0.861 nan 8.270 nan 0.000 0.446 117 M N 2.608 122.165 119.600 -0.070 0.000 2.319 117 M HA 0.368 4.942 4.480 0.156 0.000 0.265 117 M C -2.928 173.231 176.300 -0.234 0.000 1.038 117 M CA -1.966 53.229 55.300 -0.176 0.000 0.946 117 M CB 2.038 34.527 32.600 -0.185 0.000 1.984 117 M HN 0.191 nan 8.290 nan 0.000 0.482 118 P HA 0.280 nan 4.420 nan 0.000 0.270 118 P C -0.816 176.352 177.300 -0.221 0.000 1.216 118 P CA 0.013 62.825 63.100 -0.479 0.000 0.788 118 P CB 0.500 31.941 31.700 -0.433 0.000 0.883 119 I N -2.631 117.834 120.570 -0.176 0.000 3.102 119 I HA 0.713 4.977 4.170 0.156 0.000 0.310 119 I C -1.136 174.860 176.117 -0.202 0.000 1.246 119 I CA -0.447 60.792 61.300 -0.102 0.000 0.979 119 I CB 2.507 40.511 38.000 0.007 0.000 1.267 119 I HN 0.204 nan 8.210 nan 0.000 0.451 120 T N 1.528 115.954 114.554 -0.214 0.000 2.696 120 T HA 0.454 4.898 4.350 0.156 0.000 0.291 120 T C -1.116 173.400 174.700 -0.307 0.000 1.095 120 T CA -0.171 61.760 62.100 -0.282 0.000 1.026 120 T CB 1.059 69.891 68.868 -0.060 0.000 1.390 120 T HN 0.551 nan 8.240 nan 0.000 0.513 121 Y N -0.021 120.312 120.300 0.055 0.000 2.751 121 Y HA 0.373 5.015 4.550 0.154 0.000 0.289 121 Y C 0.552 176.510 175.900 0.096 0.000 1.110 121 Y CA -0.712 57.460 58.100 0.119 0.000 1.251 121 Y CB 0.369 38.897 38.460 0.114 0.000 1.178 121 Y HN 0.396 nan 8.280 nan 0.000 0.540 122 D N 1.434 121.891 120.400 0.094 0.000 2.781 122 D HA 0.047 4.781 4.640 0.156 0.000 0.254 122 D C -0.625 175.552 176.300 -0.205 0.000 1.213 122 D CA -0.027 53.964 54.000 -0.015 0.000 0.994 122 D CB -0.331 40.465 40.800 -0.006 0.000 1.019 122 D HN 0.339 nan 8.370 nan 0.000 0.514 123 N N 0.833 119.305 118.700 -0.381 0.000 2.462 123 N HA 0.450 5.284 4.740 0.156 0.000 0.242 123 N C 0.577 175.663 175.510 -0.708 0.000 1.010 123 N CA -0.027 52.631 53.050 -0.654 0.000 0.939 123 N CB 0.490 38.291 38.487 -1.143 0.000 1.127 123 N HN 0.347 nan 8.380 nan 0.000 0.509 124 G N 2.140 110.426 108.800 -0.856 0.000 2.508 124 G HA2 -0.167 3.886 3.960 0.156 0.000 0.220 124 G HA3 -0.167 3.886 3.960 0.156 0.000 0.220 124 G C -1.099 172.770 174.900 -1.719 0.000 1.287 124 G CA -0.345 44.092 45.100 -1.105 0.000 0.916 124 G HN 0.529 nan 8.290 nan 0.000 0.574 125 F N -1.537 118.387 119.950 -0.044 0.000 2.693 125 F HA 0.701 5.326 4.527 0.163 0.000 0.309 125 F C -0.673 174.978 175.800 -0.249 0.000 1.129 125 F CA -1.149 56.795 58.000 -0.093 0.000 0.948 125 F CB 1.545 40.481 39.000 -0.107 0.000 1.315 125 F HN 0.454 nan 8.300 nan 0.000 0.447 126 L N 2.605 123.809 121.223 -0.030 0.000 2.349 126 L HA 0.520 4.953 4.340 0.156 0.000 0.278 126 L C -1.250 175.566 176.870 -0.090 0.000 0.996 126 L CA -0.677 54.079 54.840 -0.141 0.000 0.825 126 L CB 0.998 42.975 42.059 -0.138 0.000 1.243 126 L HN 0.414 nan 8.230 nan 0.000 0.412 127 F N 4.408 124.365 119.950 0.012 0.000 2.402 127 F HA 0.473 5.100 4.527 0.166 0.000 0.355 127 F C 0.722 176.458 175.800 -0.106 0.000 1.123 127 F CA -1.211 56.767 58.000 -0.036 0.000 1.021 127 F CB 1.251 40.330 39.000 0.133 0.000 1.160 127 F HN 0.223 nan 8.300 nan 0.000 0.451 128 I N 2.789 123.401 120.570 0.069 0.000 2.395 128 I HA 0.150 4.414 4.170 0.156 0.000 0.282 128 I C 0.393 176.517 176.117 0.012 0.000 1.107 128 I CA -0.416 60.841 61.300 -0.071 0.000 1.210 128 I CB -0.018 37.895 38.000 -0.145 0.000 1.456 128 I HN 0.664 nan 8.210 nan 0.000 0.504 129 H N 4.554 123.555 119.070 -0.116 0.000 3.901 129 H HA 0.022 4.672 4.556 0.156 0.000 0.233 129 H C 0.697 176.087 175.328 0.102 0.000 1.479 129 H CA -0.301 55.759 56.048 0.021 0.000 1.555 129 H CB 0.344 30.128 29.762 0.037 0.000 1.802 129 H HN 0.628 nan 8.280 nan 0.000 0.666 130 T N 1.847 116.562 114.554 0.268 0.000 2.932 130 T HA -0.124 4.320 4.350 0.156 0.000 0.312 130 T C 1.557 176.517 174.700 0.434 0.000 1.071 130 T CA 0.035 62.244 62.100 0.181 0.000 1.128 130 T CB 0.721 69.632 68.868 0.071 0.000 0.984 130 T HN 0.878 nan 8.240 nan 0.000 0.549 131 D N 3.536 124.085 120.400 0.249 0.000 2.077 131 D HA -0.075 4.658 4.640 0.156 0.000 0.196 131 D C 0.651 177.087 176.300 0.227 0.000 0.986 131 D CA 1.154 55.351 54.000 0.328 0.000 0.829 131 D CB 0.074 40.744 40.800 -0.216 0.000 0.983 131 D HN 0.775 nan 8.370 nan 0.000 0.453 132 K N -0.458 119.939 120.400 -0.004 0.000 2.400 132 K HA 0.493 4.907 4.320 0.156 0.000 0.246 132 K C -2.722 173.722 176.600 -0.260 0.000 0.995 132 K CA -1.717 54.420 56.287 -0.251 0.000 0.840 132 K CB 2.756 34.969 32.500 -0.479 0.000 1.293 132 K HN -0.140 nan 8.250 nan 0.000 0.445 133 P HA 0.263 nan 4.420 nan 0.000 0.304 133 P C -1.124 176.092 177.300 -0.139 0.000 1.747 133 P CA -0.385 62.673 63.100 -0.070 0.000 1.355 133 P CB 0.709 32.371 31.700 -0.065 0.000 1.657 134 V N 0.397 120.068 119.914 -0.405 0.000 2.966 134 V HA 0.370 4.584 4.120 0.156 0.000 0.288 134 V C -1.483 174.301 176.094 -0.516 0.000 1.380 134 V CA -0.507 61.630 62.300 -0.272 0.000 0.966 134 V CB 2.118 33.788 31.823 -0.255 0.000 1.115 134 V HN -0.018 nan 8.190 nan 0.000 0.436 135 Y N 1.331 121.652 120.300 0.034 0.000 2.545 135 Y HA 0.777 5.421 4.550 0.157 0.000 0.348 135 Y C 0.509 176.478 175.900 0.115 0.000 1.002 135 Y CA -0.823 57.301 58.100 0.040 0.000 1.039 135 Y CB 2.579 41.061 38.460 0.035 0.000 1.271 135 Y HN 0.678 nan 8.280 nan 0.000 0.467 136 T N -1.327 113.391 114.554 0.272 0.000 2.942 136 T HA 0.536 4.979 4.350 0.156 0.000 0.289 136 T C -3.045 171.818 174.700 0.271 0.000 1.044 136 T CA -2.957 59.312 62.100 0.282 0.000 1.023 136 T CB 1.673 70.694 68.868 0.256 0.000 1.123 136 T HN 0.151 nan 8.240 nan 0.000 0.512 137 P HA 0.086 nan 4.420 nan 0.000 0.259 137 P C 0.203 177.603 177.300 0.165 0.000 1.163 137 P CA 0.968 64.210 63.100 0.237 0.000 0.760 137 P CB -0.005 31.852 31.700 0.261 0.000 0.762 138 D N -0.277 120.190 120.400 0.112 0.000 2.839 138 D HA -0.128 4.606 4.640 0.156 0.000 0.194 138 D C 0.024 176.365 176.300 0.068 0.000 0.988 138 D CA 0.806 54.849 54.000 0.070 0.000 1.009 138 D CB -0.859 39.985 40.800 0.074 0.000 1.067 138 D HN 0.554 nan 8.370 nan 0.000 0.444 139 Q N 0.241 120.101 119.800 0.100 0.000 2.382 139 Q HA 0.375 4.809 4.340 0.156 0.000 0.229 139 Q C 0.158 176.166 176.000 0.013 0.000 1.006 139 Q CA 0.233 56.097 55.803 0.102 0.000 0.916 139 Q CB 1.063 29.924 28.738 0.205 0.000 1.235 139 Q HN -0.069 nan 8.270 nan 0.000 0.512 140 S N 0.760 116.454 115.700 -0.011 0.000 2.420 140 S HA 0.189 4.753 4.470 0.156 0.000 0.313 140 S C -0.439 174.070 174.600 -0.151 0.000 1.079 140 S CA -0.601 57.544 58.200 -0.092 0.000 1.104 140 S CB 0.437 63.581 63.200 -0.093 0.000 0.969 140 S HN 0.376 nan 8.310 nan 0.000 0.471 141 V N 7.519 127.230 119.914 -0.339 0.000 2.459 141 V HA 0.003 4.217 4.120 0.156 0.000 0.255 141 V C 1.010 176.886 176.094 -0.364 0.000 1.015 141 V CA 0.367 62.315 62.300 -0.588 0.000 1.163 141 V CB -0.952 30.249 31.823 -1.036 0.000 1.109 141 V HN 0.704 nan 8.190 nan 0.000 0.473 142 K N 2.872 123.036 120.400 -0.394 0.000 2.485 142 K HA 0.399 4.813 4.320 0.156 0.000 0.277 142 K C -0.288 176.006 176.600 -0.510 0.000 0.990 142 K CA 0.227 56.119 56.287 -0.658 0.000 0.994 142 K CB 1.294 32.982 32.500 -1.353 0.000 0.906 142 K HN 0.474 nan 8.250 nan 0.000 0.488 143 V N 2.903 122.667 119.914 -0.249 0.000 3.108 143 V HA 0.508 4.722 4.120 0.156 0.000 0.287 143 V C -1.706 174.490 176.094 0.171 0.000 1.436 143 V CA -0.715 61.581 62.300 -0.006 0.000 1.001 143 V CB 1.988 33.704 31.823 -0.178 0.000 1.141 143 V HN 1.018 nan 8.190 nan 0.000 0.443 144 R N 3.514 124.061 120.500 0.077 0.000 3.041 144 R HA 0.965 5.399 4.340 0.156 0.000 0.254 144 R C -1.719 174.427 176.300 -0.256 0.000 1.244 144 R CA -0.883 55.209 56.100 -0.013 0.000 1.023 144 R CB 2.085 32.342 30.300 -0.071 0.000 1.332 144 R HN 0.581 nan 8.270 nan 0.000 0.463 145 V N 0.951 120.703 119.914 -0.270 0.000 2.817 145 V HA 0.368 4.582 4.120 0.156 0.000 0.303 145 V C -1.782 174.133 176.094 -0.298 0.000 1.151 145 V CA -0.810 61.303 62.300 -0.312 0.000 0.929 145 V CB 1.900 33.663 31.823 -0.099 0.000 1.030 145 V HN 0.543 nan 8.190 nan 0.000 0.427 146 Y N 2.393 122.788 120.300 0.158 0.000 2.342 146 Y HA 0.733 5.377 4.550 0.157 0.000 0.334 146 Y C 0.617 176.570 175.900 0.088 0.000 1.067 146 Y CA -1.012 57.185 58.100 0.161 0.000 1.128 146 Y CB 1.972 40.595 38.460 0.271 0.000 1.200 146 Y HN 0.635 nan 8.280 nan 0.000 0.464 147 S N 3.164 118.990 115.700 0.210 0.000 2.619 147 S HA 0.801 5.365 4.470 0.156 0.000 0.280 147 S C -1.624 173.063 174.600 0.146 0.000 1.150 147 S CA -0.672 57.596 58.200 0.114 0.000 0.978 147 S CB 1.316 64.595 63.200 0.131 0.000 1.041 147 S HN 0.421 nan 8.310 nan 0.000 0.485 148 L N 3.152 124.446 121.223 0.119 0.000 2.333 148 L HA 0.649 5.083 4.340 0.156 0.000 0.263 148 L C -0.362 176.521 176.870 0.022 0.000 1.014 148 L CA -0.456 54.462 54.840 0.130 0.000 0.820 148 L CB 2.092 44.286 42.059 0.225 0.000 1.352 148 L HN 0.980 nan 8.230 nan 0.000 0.421 149 N N 0.114 118.798 118.700 -0.027 0.000 2.482 149 N HA 0.131 4.965 4.740 0.156 0.000 0.279 149 N C 0.416 175.847 175.510 -0.132 0.000 1.182 149 N CA -0.323 52.620 53.050 -0.178 0.000 0.969 149 N CB 0.516 38.910 38.487 -0.154 0.000 1.201 149 N HN 0.658 nan 8.380 nan 0.000 0.523 150 D N -0.254 120.000 120.400 -0.242 0.000 2.345 150 D HA -0.305 4.429 4.640 0.156 0.000 0.190 150 D C 0.184 176.508 176.300 0.040 0.000 1.024 150 D CA 1.783 55.720 54.000 -0.105 0.000 0.893 150 D CB -0.435 40.296 40.800 -0.116 0.000 0.907 150 D HN 0.565 nan 8.370 nan 0.000 0.452 151 D N -0.169 120.243 120.400 0.020 0.000 2.336 151 D HA 0.033 4.767 4.640 0.156 0.000 0.229 151 D C 0.591 176.945 176.300 0.089 0.000 1.061 151 D CA -0.212 53.821 54.000 0.054 0.000 0.875 151 D CB -0.002 40.818 40.800 0.032 0.000 0.904 151 D HN 0.083 nan 8.370 nan 0.000 0.525 152 L N -0.236 121.064 121.223 0.129 0.000 3.739 152 L HA -0.300 4.134 4.340 0.156 0.000 0.442 152 L C 0.236 177.174 176.870 0.112 0.000 1.241 152 L CA 1.281 56.214 54.840 0.154 0.000 0.819 152 L CB -2.175 39.981 42.059 0.162 0.000 1.679 152 L HN 0.137 nan 8.230 nan 0.000 0.889 153 K N -0.738 119.717 120.400 0.092 0.000 2.400 153 K HA 0.470 4.884 4.320 0.156 0.000 0.246 153 K C -1.401 175.253 176.600 0.090 0.000 0.995 153 K CA -1.809 54.530 56.287 0.087 0.000 0.840 153 K CB 1.895 34.436 32.500 0.070 0.000 1.293 153 K HN -0.311 nan 8.250 nan 0.000 0.445 154 P HA -0.340 nan 4.420 nan 0.000 0.226 154 P C -0.096 177.263 177.300 0.098 0.000 1.154 154 P CA 2.522 65.688 63.100 0.110 0.000 0.901 154 P CB 0.025 31.792 31.700 0.111 0.000 0.788 155 A N -3.734 119.128 122.820 0.070 0.000 2.996 155 A HA -0.267 4.147 4.320 0.156 0.000 0.257 155 A C 0.225 177.849 177.584 0.068 0.000 1.394 155 A CA 0.763 52.829 52.037 0.047 0.000 0.820 155 A CB -2.687 16.346 19.000 0.055 0.000 1.054 155 A HN 0.310 nan 8.150 nan 0.000 0.619 156 K N -0.587 119.848 120.400 0.059 0.000 2.578 156 K HA 0.236 4.650 4.320 0.156 0.000 0.279 156 K C 0.726 177.366 176.600 0.066 0.000 0.983 156 K CA 1.118 57.438 56.287 0.055 0.000 1.078 156 K CB 0.113 32.623 32.500 0.016 0.000 0.852 156 K HN 0.688 nan 8.250 nan 0.000 0.490 157 R N 1.115 121.681 120.500 0.109 0.000 2.832 157 R HA 0.129 4.562 4.340 0.156 0.000 0.283 157 R C -1.294 175.107 176.300 0.168 0.000 0.998 157 R CA -0.957 55.227 56.100 0.139 0.000 0.843 157 R CB 1.174 31.580 30.300 0.177 0.000 1.332 157 R HN 0.554 nan 8.270 nan 0.000 0.490 158 E N 1.128 121.435 120.200 0.179 0.000 2.156 158 E HA 0.391 4.835 4.350 0.156 0.000 0.279 158 E C -0.944 175.790 176.600 0.224 0.000 0.965 158 E CA -0.268 56.217 56.400 0.142 0.000 0.789 158 E CB 2.190 31.936 29.700 0.076 0.000 1.098 158 E HN 0.345 nan 8.360 nan 0.000 0.397 159 T N 1.003 115.639 114.554 0.136 0.000 2.901 159 T HA 0.507 4.951 4.350 0.156 0.000 0.293 159 T C -0.852 173.934 174.700 0.144 0.000 1.084 159 T CA -0.587 61.577 62.100 0.106 0.000 1.008 159 T CB 2.001 70.872 68.868 0.005 0.000 1.170 159 T HN 0.146 nan 8.240 nan 0.000 0.509 160 V N 2.115 122.122 119.914 0.155 0.000 2.760 160 V HA 0.588 4.802 4.120 0.156 0.000 0.309 160 V C -1.141 175.044 176.094 0.153 0.000 1.077 160 V CA -0.872 61.561 62.300 0.222 0.000 0.910 160 V CB 1.766 33.675 31.823 0.144 0.000 1.008 160 V HN 0.764 nan 8.190 nan 0.000 0.424 161 L N 2.690 124.019 121.223 0.178 0.000 2.397 161 L HA 0.988 5.422 4.340 0.156 0.000 0.266 161 L C 0.267 177.208 176.870 0.118 0.000 1.040 161 L CA -0.376 54.457 54.840 -0.012 0.000 0.800 161 L CB 1.439 43.309 42.059 -0.314 0.000 1.324 161 L HN 0.707 nan 8.230 nan 0.000 0.469 162 T N -1.076 113.517 114.554 0.066 0.000 3.446 162 T HA 0.440 4.884 4.350 0.156 0.000 0.274 162 T C -0.652 174.163 174.700 0.192 0.000 0.834 162 T CA -0.466 61.744 62.100 0.184 0.000 1.479 162 T CB -0.691 68.233 68.868 0.092 0.000 0.880 162 T HN 0.272 nan 8.240 nan 0.000 0.567 163 F N 2.505 122.477 119.950 0.037 0.000 2.626 163 F HA 0.417 5.035 4.527 0.151 0.000 0.354 163 F C 1.067 176.892 175.800 0.042 0.000 1.168 163 F CA -0.663 57.372 58.000 0.058 0.000 1.368 163 F CB 0.294 39.352 39.000 0.097 0.000 1.092 163 F HN 0.435 nan 8.300 nan 0.000 0.612 164 I N 2.220 122.872 120.570 0.137 0.000 2.576 164 I HA 0.083 4.347 4.170 0.156 0.000 0.279 164 I C -0.844 175.022 176.117 -0.418 0.000 1.114 164 I CA -1.069 60.172 61.300 -0.099 0.000 1.076 164 I CB 1.182 39.115 38.000 -0.111 0.000 1.212 164 I HN 0.563 nan 8.210 nan 0.000 0.472 165 D N 7.020 127.025 120.400 -0.658 0.000 2.461 165 D HA -0.076 4.658 4.640 0.156 0.000 0.231 165 D C -1.934 173.865 176.300 -0.836 0.000 1.208 165 D CA -1.029 52.257 54.000 -1.191 0.000 0.879 165 D CB 0.397 40.733 40.800 -0.775 0.000 1.220 165 D HN 0.196 nan 8.370 nan 0.000 0.480 166 P HA -0.075 nan 4.420 nan 0.000 0.249 166 P C 0.147 177.263 177.300 -0.307 0.000 1.227 166 P CA 1.021 63.816 63.100 -0.507 0.000 0.753 166 P CB 0.007 31.464 31.700 -0.405 0.000 0.966 167 E N -2.614 117.402 120.200 -0.307 0.000 2.536 167 E HA 0.268 4.712 4.350 0.156 0.000 0.220 167 E C 0.893 177.379 176.600 -0.191 0.000 0.876 167 E CA 0.323 56.593 56.400 -0.217 0.000 1.190 167 E CB 0.527 30.099 29.700 -0.213 0.000 1.191 167 E HN 0.100 nan 8.360 nan 0.000 0.557 168 G N 2.370 111.040 108.800 -0.217 0.000 2.237 168 G HA2 -0.199 3.855 3.960 0.156 0.000 0.153 168 G HA3 -0.199 3.855 3.960 0.156 0.000 0.153 168 G C -0.208 174.612 174.900 -0.134 0.000 1.039 168 G CA 0.270 45.274 45.100 -0.160 0.000 0.719 168 G HN 0.159 nan 8.290 nan 0.000 0.491 169 S N -0.076 115.529 115.700 -0.159 0.000 2.552 169 S HA 0.611 5.175 4.470 0.156 0.000 0.314 169 S C 0.463 175.023 174.600 -0.066 0.000 1.099 169 S CA -0.247 57.892 58.200 -0.101 0.000 1.070 169 S CB 1.199 64.313 63.200 -0.144 0.000 0.998 169 S HN 0.397 nan 8.310 nan 0.000 0.474 170 E N 2.108 122.307 120.200 -0.003 0.000 2.556 170 E HA -0.018 4.426 4.350 0.156 0.000 0.273 170 E C 0.169 176.801 176.600 0.053 0.000 1.123 170 E CA 0.430 56.853 56.400 0.039 0.000 1.033 170 E CB 0.369 30.109 29.700 0.066 0.000 1.025 170 E HN 0.557 nan 8.360 nan 0.000 0.465 171 V N -0.264 119.724 119.914 0.124 0.000 3.363 171 V HA 0.081 4.295 4.120 0.156 0.000 0.270 171 V C -0.023 176.171 176.094 0.167 0.000 1.667 171 V CA 0.097 62.487 62.300 0.151 0.000 1.034 171 V CB 0.798 32.743 31.823 0.204 0.000 0.857 171 V HN 0.697 nan 8.190 nan 0.000 0.410 172 D N -1.237 119.270 120.400 0.179 0.000 3.734 172 D HA 0.563 5.297 4.640 0.156 0.000 0.350 172 D C -1.241 175.157 176.300 0.164 0.000 1.511 172 D CA -0.108 53.963 54.000 0.119 0.000 0.956 172 D CB 1.780 42.596 40.800 0.027 0.000 1.470 172 D HN -0.029 nan 8.370 nan 0.000 0.598 173 M N 0.096 119.801 119.600 0.174 0.000 3.228 173 M HA 0.350 4.924 4.480 0.156 0.000 0.239 173 M C -2.225 174.200 176.300 0.208 0.000 0.767 173 M CA -0.459 54.969 55.300 0.215 0.000 0.837 173 M CB 0.964 33.648 32.600 0.140 0.000 1.505 173 M HN 0.370 nan 8.290 nan 0.000 0.584 174 V N 1.172 121.227 119.914 0.234 0.000 2.801 174 V HA 0.407 4.620 4.120 0.156 0.000 0.264 174 V C -2.091 174.137 176.094 0.224 0.000 1.843 174 V CA -0.463 61.955 62.300 0.197 0.000 0.878 174 V CB 2.124 34.070 31.823 0.205 0.000 1.380 174 V HN 0.973 nan 8.190 nan 0.000 0.425 175 E N 3.437 123.688 120.200 0.085 0.000 2.450 175 E HA 0.916 5.359 4.350 0.156 0.000 0.248 175 E C -0.681 175.800 176.600 -0.198 0.000 0.930 175 E CA -0.798 55.611 56.400 0.015 0.000 0.854 175 E CB 2.842 32.557 29.700 0.024 0.000 1.355 175 E HN 0.735 nan 8.360 nan 0.000 0.402 176 E N -0.624 119.430 120.200 -0.242 0.000 2.388 176 E HA 0.288 4.732 4.350 0.156 0.000 0.269 176 E C -1.812 174.695 176.600 -0.155 0.000 1.172 176 E CA -0.677 55.563 56.400 -0.267 0.000 0.887 176 E CB 1.388 30.796 29.700 -0.487 0.000 1.544 176 E HN 0.504 nan 8.360 nan 0.000 0.451 177 I N -0.078 120.420 120.570 -0.119 0.000 2.353 177 I HA 0.520 4.783 4.170 0.156 0.000 0.293 177 I C -0.607 175.490 176.117 -0.033 0.000 0.992 177 I CA -0.111 61.160 61.300 -0.049 0.000 1.268 177 I CB 1.364 39.354 38.000 -0.017 0.000 1.387 177 I HN 0.254 nan 8.210 nan 0.000 0.478 178 D N 4.628 125.029 120.400 0.001 0.000 2.441 178 D HA 0.153 4.887 4.640 0.156 0.000 0.221 178 D C 0.536 176.843 176.300 0.012 0.000 1.156 178 D CA 0.268 54.279 54.000 0.018 0.000 0.896 178 D CB 0.347 41.183 40.800 0.060 0.000 1.028 178 D HN 0.791 nan 8.370 nan 0.000 0.509 179 H N 3.101 122.125 119.070 -0.076 0.000 2.384 179 H HA 0.090 4.740 4.556 0.157 0.000 0.300 179 H C 1.763 177.034 175.328 -0.096 0.000 1.057 179 H CA 1.651 57.652 56.048 -0.079 0.000 1.370 179 H CB 0.574 30.270 29.762 -0.110 0.000 1.417 179 H HN 0.554 nan 8.280 nan 0.000 0.527 180 I N -6.236 114.312 120.570 -0.037 0.000 4.033 180 I HA 0.480 4.743 4.170 0.156 0.000 0.296 180 I C 1.595 177.680 176.117 -0.053 0.000 1.210 180 I CA 0.772 61.985 61.300 -0.146 0.000 1.341 180 I CB 1.263 38.819 38.000 -0.740 0.000 1.369 180 I HN 0.297 nan 8.210 nan 0.000 0.453 181 G N 2.340 111.118 108.800 -0.037 0.000 3.259 181 G HA2 0.058 4.112 3.960 0.156 0.000 0.217 181 G HA3 0.058 4.112 3.960 0.156 0.000 0.217 181 G C 0.160 175.127 174.900 0.112 0.000 0.993 181 G CA -0.303 44.837 45.100 0.068 0.000 0.836 181 G HN 0.219 nan 8.290 nan 0.000 0.514 182 I N 3.342 123.939 120.570 0.045 0.000 2.243 182 I HA 0.336 4.600 4.170 0.156 0.000 0.297 182 I C 0.287 176.407 176.117 0.006 0.000 1.161 182 I CA -0.334 61.031 61.300 0.107 0.000 1.298 182 I CB 0.382 38.417 38.000 0.058 0.000 1.475 182 I HN 0.020 nan 8.210 nan 0.000 0.561 183 I N 4.973 125.569 120.570 0.043 0.000 2.505 183 I HA -0.011 4.253 4.170 0.156 0.000 0.287 183 I C 0.521 176.679 176.117 0.068 0.000 1.104 183 I CA 0.420 61.735 61.300 0.026 0.000 1.387 183 I CB 0.432 38.501 38.000 0.114 0.000 1.404 183 I HN 0.530 nan 8.210 nan 0.000 0.528 184 S N 7.139 122.815 115.700 -0.040 0.000 3.940 184 S HA 0.335 4.899 4.470 0.156 0.000 0.210 184 S C 0.118 174.746 174.600 0.047 0.000 1.419 184 S CA -0.648 57.572 58.200 0.033 0.000 0.912 184 S CB -0.556 62.630 63.200 -0.024 0.000 1.489 184 S HN 0.302 nan 8.310 nan 0.000 0.469 185 F N 2.727 122.688 119.950 0.019 0.000 2.521 185 F HA 0.276 4.897 4.527 0.156 0.000 0.298 185 F C -1.722 174.104 175.800 0.043 0.000 1.289 185 F CA -1.051 56.972 58.000 0.039 0.000 1.315 185 F CB -0.097 38.937 39.000 0.058 0.000 1.257 185 F HN 0.219 nan 8.300 nan 0.000 0.541 186 P HA 0.261 nan 4.420 nan 0.000 0.306 186 P C -1.803 175.551 177.300 0.090 0.000 1.399 186 P CA -0.755 62.411 63.100 0.111 0.000 0.992 186 P CB 1.251 32.987 31.700 0.060 0.000 1.148 187 D N 1.245 121.649 120.400 0.007 0.000 2.629 187 D HA -0.062 4.672 4.640 0.156 0.000 0.228 187 D C -0.660 175.630 176.300 -0.018 0.000 1.127 187 D CA 0.907 54.881 54.000 -0.043 0.000 0.855 187 D CB -0.105 40.637 40.800 -0.096 0.000 1.180 187 D HN 0.220 nan 8.370 nan 0.000 0.484 188 F N 2.323 122.154 119.950 -0.198 0.000 2.402 188 F HA 0.287 4.906 4.527 0.153 0.000 0.355 188 F C 0.004 175.627 175.800 -0.294 0.000 1.123 188 F CA -1.228 56.603 58.000 -0.281 0.000 1.021 188 F CB 0.924 39.727 39.000 -0.327 0.000 1.160 188 F HN 0.041 nan 8.300 nan 0.000 0.451 189 K N 6.793 126.929 120.400 -0.439 0.000 2.205 189 K HA 0.452 4.866 4.320 0.156 0.000 0.279 189 K C -0.973 175.438 176.600 -0.315 0.000 1.027 189 K CA -0.474 55.639 56.287 -0.289 0.000 0.932 189 K CB 0.613 32.968 32.500 -0.242 0.000 1.032 189 K HN 0.544 nan 8.250 nan 0.000 0.466 190 I N 5.547 126.052 120.570 -0.108 0.000 2.474 190 I HA 0.204 4.468 4.170 0.156 0.000 0.287 190 I C -1.991 174.111 176.117 -0.025 0.000 1.048 190 I CA -2.739 58.541 61.300 -0.034 0.000 1.383 190 I CB 0.394 38.394 38.000 -0.002 0.000 1.412 190 I HN 0.628 nan 8.210 nan 0.000 0.531 191 P HA 0.003 nan 4.420 nan 0.000 0.264 191 P C 0.731 178.060 177.300 0.048 0.000 1.179 191 P CA 0.341 63.461 63.100 0.032 0.000 0.763 191 P CB 0.356 32.104 31.700 0.079 0.000 0.806 192 S N 1.030 116.760 115.700 0.050 0.000 2.462 192 S HA -0.170 4.394 4.470 0.156 0.000 0.243 192 S C 0.926 175.577 174.600 0.086 0.000 1.003 192 S CA 1.326 59.566 58.200 0.066 0.000 0.970 192 S CB -0.696 62.541 63.200 0.063 0.000 0.762 192 S HN 0.635 nan 8.310 nan 0.000 0.510 193 N N 0.365 119.109 118.700 0.072 0.000 3.151 193 N HA 0.263 5.097 4.740 0.156 0.000 0.219 193 N C -3.541 171.924 175.510 -0.075 0.000 1.434 193 N CA -1.335 51.731 53.050 0.026 0.000 0.767 193 N CB 0.968 39.490 38.487 0.059 0.000 1.564 193 N HN -0.074 nan 8.380 nan 0.000 0.612 194 P HA 0.447 nan 4.420 nan 0.000 0.280 194 P C -0.576 176.474 177.300 -0.416 0.000 1.272 194 P CA -0.512 62.501 63.100 -0.145 0.000 0.819 194 P CB 0.923 32.642 31.700 0.030 0.000 1.122 195 R N 0.239 120.617 120.500 -0.203 0.000 2.401 195 R HA 0.220 4.653 4.340 0.156 0.000 0.299 195 R C -0.466 175.738 176.300 -0.161 0.000 1.064 195 R CA 0.224 56.181 56.100 -0.237 0.000 1.000 195 R CB -0.534 29.655 30.300 -0.186 0.000 0.973 195 R HN 0.415 nan 8.270 nan 0.000 0.438 196 Y N 2.044 122.379 120.300 0.058 0.000 2.404 196 Y HA 0.477 5.121 4.550 0.157 0.000 0.344 196 Y C 1.270 177.197 175.900 0.045 0.000 0.995 196 Y CA 0.610 58.760 58.100 0.085 0.000 1.201 196 Y CB 1.196 39.696 38.460 0.066 0.000 1.151 196 Y HN 0.828 nan 8.280 nan 0.000 0.517 197 G N 1.810 110.760 108.800 0.249 0.000 2.564 197 G HA2 0.213 4.267 3.960 0.156 0.000 0.139 197 G HA3 0.213 4.267 3.960 0.156 0.000 0.139 197 G C -1.595 173.380 174.900 0.124 0.000 1.147 197 G CA -0.993 44.180 45.100 0.121 0.000 1.031 197 G HN 0.291 nan 8.290 nan 0.000 0.482 198 M N 1.153 120.765 119.600 0.020 0.000 2.044 198 M HA 0.682 5.256 4.480 0.156 0.000 0.333 198 M C -1.366 174.883 176.300 -0.085 0.000 1.004 198 M CA -1.575 53.739 55.300 0.023 0.000 0.954 198 M CB 0.154 32.774 32.600 0.034 0.000 1.468 198 M HN 0.415 nan 8.290 nan 0.000 0.414 199 W N 3.044 124.085 121.300 -0.433 0.000 2.161 199 W HA 0.514 5.265 4.660 0.153 0.000 0.344 199 W C 0.045 176.310 176.519 -0.423 0.000 1.262 199 W CA 0.191 57.172 57.345 -0.607 0.000 1.270 199 W CB 0.848 29.409 29.460 -1.497 0.000 1.126 199 W HN 0.498 nan 8.180 nan 0.000 0.598 200 T N 3.544 118.002 114.554 -0.159 0.000 2.890 200 T HA 0.474 4.918 4.350 0.156 0.000 0.295 200 T C -0.549 173.997 174.700 -0.257 0.000 0.993 200 T CA -0.631 61.272 62.100 -0.328 0.000 0.979 200 T CB 0.478 69.129 68.868 -0.362 0.000 0.967 200 T HN 0.093 nan 8.240 nan 0.000 0.441 201 I N 3.642 124.027 120.570 -0.309 0.000 2.321 201 I HA 0.377 4.641 4.170 0.156 0.000 0.291 201 I C 0.420 176.322 176.117 -0.358 0.000 0.998 201 I CA -0.721 60.342 61.300 -0.393 0.000 1.227 201 I CB 1.205 38.880 38.000 -0.542 0.000 1.368 201 I HN 0.358 nan 8.210 nan 0.000 0.466 202 K N 4.664 124.890 120.400 -0.289 0.000 2.185 202 K HA 0.884 5.298 4.320 0.156 0.000 0.240 202 K C -0.757 175.726 176.600 -0.196 0.000 0.983 202 K CA -0.784 55.382 56.287 -0.203 0.000 0.873 202 K CB 2.344 34.767 32.500 -0.130 0.000 1.118 202 K HN 0.681 nan 8.250 nan 0.000 0.441 203 A N 1.815 124.548 122.820 -0.144 0.000 2.517 203 A HA 0.478 4.892 4.320 0.156 0.000 0.297 203 A C -1.641 175.879 177.584 -0.107 0.000 1.050 203 A CA -0.950 51.001 52.037 -0.144 0.000 0.694 203 A CB 1.132 20.009 19.000 -0.205 0.000 1.277 203 A HN 0.737 nan 8.150 nan 0.000 0.400 204 K N 1.478 121.828 120.400 -0.083 0.000 2.469 204 K HA 0.608 5.022 4.320 0.156 0.000 0.254 204 K C -1.534 175.034 176.600 -0.053 0.000 0.939 204 K CA -0.727 55.527 56.287 -0.055 0.000 0.812 204 K CB 1.535 34.047 32.500 0.020 0.000 1.301 204 K HN 0.511 nan 8.250 nan 0.000 0.433 205 Y N 2.179 122.534 120.300 0.092 0.000 2.511 205 Y HA -0.049 4.516 4.550 0.025 0.000 0.332 205 Y C 1.905 177.851 175.900 0.077 0.000 1.177 205 Y CA 0.218 58.384 58.100 0.110 0.000 1.422 205 Y CB 1.270 39.841 38.460 0.186 0.000 1.271 205 Y HN 0.786 nan 8.280 nan 0.000 0.550 206 K N 1.594 122.137 120.400 0.239 0.000 1.969 206 K HA -0.173 4.241 4.320 0.156 0.000 0.216 206 K C 0.849 177.504 176.600 0.091 0.000 1.048 206 K CA 1.369 57.733 56.287 0.128 0.000 0.948 206 K CB 0.023 32.580 32.500 0.095 0.000 0.726 206 K HN 0.663 nan 8.250 nan 0.000 0.442 207 E N 1.538 121.781 120.200 0.071 0.000 3.876 207 E HA -0.076 4.368 4.350 0.156 0.000 0.398 207 E C -0.029 176.523 176.600 -0.080 0.000 1.531 207 E CA 0.485 56.865 56.400 -0.034 0.000 2.239 207 E CB -0.309 29.331 29.700 -0.100 0.000 1.198 207 E HN 0.458 nan 8.360 nan 0.000 0.720 208 D N -1.105 119.142 120.400 -0.255 0.000 2.361 208 D HA 0.288 5.022 4.640 0.156 0.000 0.239 208 D C -0.283 175.783 176.300 -0.390 0.000 1.200 208 D CA -0.038 53.762 54.000 -0.332 0.000 0.915 208 D CB 0.065 40.593 40.800 -0.454 0.000 1.170 208 D HN 0.402 nan 8.370 nan 0.000 0.444 209 F N -1.453 118.510 119.950 0.022 0.000 2.166 209 F HA -0.160 4.439 4.527 0.119 0.000 0.519 209 F C 0.823 176.675 175.800 0.087 0.000 1.300 209 F CA -0.437 57.603 58.000 0.067 0.000 1.656 209 F CB -0.852 38.149 39.000 0.002 0.000 2.837 209 F HN 0.437 nan 8.300 nan 0.000 0.698 210 S N 1.189 117.070 115.700 0.301 0.000 2.561 210 S HA -0.035 4.528 4.470 0.156 0.000 0.225 210 S C 0.996 175.695 174.600 0.164 0.000 0.977 210 S CA 0.874 59.177 58.200 0.172 0.000 0.926 210 S CB -0.243 63.059 63.200 0.170 0.000 0.769 210 S HN 0.683 nan 8.310 nan 0.000 0.533 211 T N 1.988 116.663 114.554 0.202 0.000 2.800 211 T HA 0.081 4.525 4.350 0.156 0.000 0.283 211 T C 0.004 174.763 174.700 0.098 0.000 0.999 211 T CA -0.053 62.126 62.100 0.132 0.000 1.176 211 T CB 0.221 69.157 68.868 0.114 0.000 0.973 211 T HN 0.137 nan 8.240 nan 0.000 0.519 212 T N 3.757 118.369 114.554 0.097 0.000 2.733 212 T HA 0.546 4.990 4.350 0.156 0.000 0.294 212 T C 0.844 175.601 174.700 0.096 0.000 0.956 212 T CA -0.631 61.520 62.100 0.085 0.000 0.987 212 T CB 1.009 69.941 68.868 0.105 0.000 0.920 212 T HN 0.905 nan 8.240 nan 0.000 0.470 213 G N 2.584 111.391 108.800 0.012 0.000 2.348 213 G HA2 0.589 4.643 3.960 0.156 0.000 0.312 213 G HA3 0.589 4.643 3.960 0.156 0.000 0.312 213 G C -0.443 174.440 174.900 -0.030 0.000 1.126 213 G CA -0.424 44.671 45.100 -0.008 0.000 0.865 213 G HN 0.640 nan 8.290 nan 0.000 0.474 214 T N -0.285 114.262 114.554 -0.011 0.000 2.887 214 T HA 0.874 5.318 4.350 0.156 0.000 0.292 214 T C -0.143 174.520 174.700 -0.062 0.000 1.087 214 T CA 0.086 62.145 62.100 -0.069 0.000 1.009 214 T CB 2.033 70.903 68.868 0.004 0.000 1.203 214 T HN 1.428 nan 8.240 nan 0.000 0.518 215 A N 0.334 123.066 122.820 -0.147 0.000 2.483 215 A HA 0.808 5.222 4.320 0.156 0.000 0.294 215 A C -2.355 175.184 177.584 -0.075 0.000 1.077 215 A CA -0.891 51.164 52.037 0.031 0.000 0.633 215 A CB 0.679 19.667 19.000 -0.019 0.000 1.318 215 A HN 0.776 nan 8.150 nan 0.000 0.455 216 Y N -1.712 118.626 120.300 0.064 0.000 2.715 216 Y HA 0.763 5.408 4.550 0.159 0.000 0.331 216 Y C -0.667 175.399 175.900 0.277 0.000 1.197 216 Y CA -0.565 57.604 58.100 0.116 0.000 1.079 216 Y CB 2.334 40.826 38.460 0.053 0.000 1.298 216 Y HN 1.212 nan 8.280 nan 0.000 0.477 217 F N -0.878 119.222 119.950 0.250 0.000 2.686 217 F HA 0.439 5.059 4.527 0.155 0.000 0.315 217 F C -1.939 174.010 175.800 0.248 0.000 1.088 217 F CA -0.850 57.270 58.000 0.200 0.000 1.034 217 F CB 1.139 40.231 39.000 0.153 0.000 1.280 217 F HN 0.462 nan 8.300 nan 0.000 0.463 218 E N 3.027 123.345 120.200 0.198 0.000 2.204 218 E HA 0.722 5.166 4.350 0.156 0.000 0.276 218 E C -1.684 175.055 176.600 0.230 0.000 0.974 218 E CA -1.095 55.388 56.400 0.138 0.000 0.815 218 E CB 2.222 31.993 29.700 0.119 0.000 1.119 218 E HN 0.655 nan 8.360 nan 0.000 0.393 219 V N 4.257 124.321 119.914 0.251 0.000 2.459 219 V HA 0.405 4.618 4.120 0.156 0.000 0.295 219 V C -0.408 175.902 176.094 0.361 0.000 1.029 219 V CA -0.594 61.897 62.300 0.319 0.000 0.874 219 V CB 1.670 33.698 31.823 0.342 0.000 0.985 219 V HN 0.652 nan 8.190 nan 0.000 0.438 220 K N 2.486 123.073 120.400 0.310 0.000 2.385 220 K HA 0.482 4.896 4.320 0.156 0.000 0.248 220 K C -0.624 176.036 176.600 0.099 0.000 0.955 220 K CA -0.782 55.610 56.287 0.175 0.000 0.816 220 K CB 2.606 35.176 32.500 0.116 0.000 1.250 220 K HN 0.744 nan 8.250 nan 0.000 0.434 221 E N 2.810 122.808 120.200 -0.337 0.000 2.052 221 E HA 0.017 4.461 4.350 0.156 0.000 0.283 221 E C -1.150 175.400 176.600 -0.083 0.000 1.071 221 E CA -0.443 55.697 56.400 -0.434 0.000 0.851 221 E CB 0.394 29.451 29.700 -1.072 0.000 1.066 221 E HN 0.439 nan 8.360 nan 0.000 0.396 222 Y N 4.320 124.620 120.300 0.000 0.000 2.712 222 Y HA 0.105 4.749 4.550 0.156 0.000 0.333 222 Y C -0.857 175.035 175.900 -0.015 0.000 1.225 222 Y CA 0.336 58.453 58.100 0.028 0.000 1.499 222 Y CB 0.493 39.015 38.460 0.105 0.000 1.288 222 Y HN 0.264 nan 8.280 nan 0.000 0.575 223 V N 6.594 126.001 119.914 -0.846 0.000 3.074 223 V HA 0.305 4.519 4.120 0.156 0.000 0.314 223 V C -0.795 174.645 176.094 -1.089 0.000 1.117 223 V CA -1.407 60.483 62.300 -0.683 0.000 1.014 223 V CB 1.991 33.594 31.823 -0.367 0.000 1.057 223 V HN 0.638 nan 8.190 nan 0.000 0.438 224 L N 3.736 124.601 121.223 -0.597 0.000 2.276 224 L HA 0.526 4.960 4.340 0.156 0.000 0.286 224 L C -2.459 174.047 176.870 -0.608 0.000 1.061 224 L CA -1.720 52.822 54.840 -0.497 0.000 0.807 224 L CB 1.582 43.472 42.059 -0.281 0.000 1.177 224 L HN 0.477 nan 8.230 nan 0.000 0.429 225 P HA 0.265 nan 4.420 nan 0.000 0.282 225 P C -0.194 176.749 177.300 -0.594 0.000 1.274 225 P CA -0.077 62.753 63.100 -0.451 0.000 0.770 225 P CB 0.579 32.180 31.700 -0.165 0.000 0.867 226 H N 2.800 121.551 119.070 -0.533 0.000 2.343 226 H HA 0.123 4.773 4.556 0.157 0.000 0.303 226 H C 0.471 175.620 175.328 -0.298 0.000 1.068 226 H CA 1.067 56.704 56.048 -0.684 0.000 1.359 226 H CB -0.103 28.927 29.762 -1.220 0.000 1.402 226 H HN 0.433 nan 8.280 nan 0.000 0.515 227 F N -1.932 118.083 119.950 0.108 0.000 2.608 227 F HA 0.440 5.061 4.527 0.157 0.000 0.309 227 F C -0.513 175.406 175.800 0.198 0.000 1.103 227 F CA -1.924 56.252 58.000 0.294 0.000 0.954 227 F CB 1.256 40.449 39.000 0.321 0.000 1.267 227 F HN -0.264 nan 8.300 nan 0.000 0.444 228 S N 2.373 118.310 115.700 0.394 0.000 2.429 228 S HA 0.451 5.015 4.470 0.156 0.000 0.292 228 S C -0.697 173.998 174.600 0.157 0.000 1.183 228 S CA -0.294 57.990 58.200 0.140 0.000 1.088 228 S CB -0.233 62.882 63.200 -0.142 0.000 1.018 228 S HN 0.610 nan 8.310 nan 0.000 0.511 229 V N 6.583 126.596 119.914 0.166 0.000 2.350 229 V HA 0.420 4.634 4.120 0.156 0.000 0.276 229 V C 0.629 176.740 176.094 0.028 0.000 1.028 229 V CA -0.332 62.038 62.300 0.117 0.000 0.860 229 V CB 1.210 33.138 31.823 0.175 0.000 0.990 229 V HN 1.040 nan 8.190 nan 0.000 0.453 230 S N 6.158 121.853 115.700 -0.008 0.000 2.690 230 S HA 0.810 5.374 4.470 0.156 0.000 0.285 230 S C -0.351 174.235 174.600 -0.025 0.000 1.135 230 S CA -0.692 57.491 58.200 -0.027 0.000 1.020 230 S CB 1.989 65.161 63.200 -0.047 0.000 1.159 230 S HN 0.818 nan 8.310 nan 0.000 0.534 231 I N 0.530 121.082 120.570 -0.030 0.000 2.740 231 I HA 0.313 4.577 4.170 0.156 0.000 0.281 231 I C -2.201 173.905 176.117 -0.019 0.000 1.427 231 I CA -0.301 60.984 61.300 -0.024 0.000 1.110 231 I CB 1.305 39.287 38.000 -0.030 0.000 1.416 231 I HN 0.867 nan 8.210 nan 0.000 0.429 232 E N 8.630 128.820 120.200 -0.018 0.000 2.183 232 E HA 0.614 5.057 4.350 0.156 0.000 0.271 232 E C -2.683 173.918 176.600 0.001 0.000 0.919 232 E CA -1.854 54.536 56.400 -0.016 0.000 0.781 232 E CB 1.666 31.341 29.700 -0.041 0.000 1.140 232 E HN 0.330 nan 8.360 nan 0.000 0.402 233 P HA 0.124 nan 4.420 nan 0.000 0.285 233 P C 0.192 177.421 177.300 -0.119 0.000 1.269 233 P CA -0.557 62.600 63.100 0.095 0.000 0.844 233 P CB 1.250 33.123 31.700 0.288 0.000 1.094 234 E N 0.896 120.808 120.200 -0.480 0.000 2.026 234 E HA -0.196 4.248 4.350 0.156 0.000 0.206 234 E C -0.050 176.413 176.600 -0.229 0.000 1.028 234 E CA 1.830 57.952 56.400 -0.464 0.000 0.845 234 E CB -0.138 29.143 29.700 -0.698 0.000 0.772 234 E HN 0.512 nan 8.360 nan 0.000 0.462 235 Y N -2.629 117.467 120.300 -0.341 0.000 2.968 235 Y HA 0.285 4.929 4.550 0.156 0.000 0.316 235 Y C 0.905 176.904 175.900 0.165 0.000 1.359 235 Y CA -1.376 56.713 58.100 -0.018 0.000 1.107 235 Y CB 0.530 39.015 38.460 0.041 0.000 1.374 235 Y HN -0.203 nan 8.280 nan 0.000 0.621 236 N N -1.037 117.919 118.700 0.426 0.000 2.220 236 N HA 0.250 5.084 4.740 0.156 0.000 0.195 236 N C -1.103 174.433 175.510 0.043 0.000 1.123 236 N CA 0.257 53.457 53.050 0.250 0.000 0.874 236 N CB 0.478 39.086 38.487 0.201 0.000 0.995 236 N HN 0.337 nan 8.380 nan 0.000 0.498 237 F N -0.837 119.178 119.950 0.108 0.000 3.043 237 F HA 0.566 5.187 4.527 0.156 0.000 0.357 237 F C -0.490 175.272 175.800 -0.063 0.000 1.302 237 F CA -1.005 56.982 58.000 -0.022 0.000 1.069 237 F CB 1.569 40.540 39.000 -0.050 0.000 1.539 237 F HN -0.394 nan 8.300 nan 0.000 0.505 238 I N 1.021 121.611 120.570 0.034 0.000 2.605 238 I HA 0.254 4.518 4.170 0.156 0.000 0.276 238 I C -0.495 175.510 176.117 -0.187 0.000 1.161 238 I CA -0.231 60.951 61.300 -0.196 0.000 1.064 238 I CB 1.074 38.659 38.000 -0.692 0.000 1.238 238 I HN 0.594 nan 8.210 nan 0.000 0.487 239 G N 2.920 111.640 108.800 -0.133 0.000 2.476 239 G HA2 0.160 4.214 3.960 0.156 0.000 0.269 239 G HA3 0.160 4.214 3.960 0.156 0.000 0.269 239 G C 0.614 175.396 174.900 -0.196 0.000 1.195 239 G CA -0.305 44.727 45.100 -0.112 0.000 0.843 239 G HN 0.749 nan 8.290 nan 0.000 0.545 240 Y N 0.153 120.363 120.300 -0.149 0.000 2.516 240 Y HA -0.206 4.437 4.550 0.156 0.000 0.284 240 Y C 2.262 178.110 175.900 -0.086 0.000 1.166 240 Y CA 1.472 59.471 58.100 -0.168 0.000 1.350 240 Y CB -0.286 38.075 38.460 -0.165 0.000 0.967 240 Y HN 0.499 nan 8.280 nan 0.000 0.568 241 K N 1.257 121.021 120.400 -1.061 0.000 2.020 241 K HA -0.148 4.266 4.320 0.156 0.000 0.212 241 K C 0.042 176.467 176.600 -0.293 0.000 1.050 241 K CA 1.730 57.567 56.287 -0.749 0.000 0.929 241 K CB -0.301 31.817 32.500 -0.636 0.000 0.714 241 K HN 0.556 nan 8.250 nan 0.000 0.443 242 N N -0.048 118.522 118.700 -0.218 0.000 2.425 242 N HA 0.133 4.967 4.740 0.156 0.000 0.268 242 N C -0.533 175.027 175.510 0.083 0.000 0.991 242 N CA -0.099 52.920 53.050 -0.052 0.000 0.931 242 N CB 1.355 39.825 38.487 -0.029 0.000 1.130 242 N HN 0.036 nan 8.380 nan 0.000 0.493 243 F N 1.583 121.481 119.950 -0.088 0.000 2.938 243 F HA 0.267 4.888 4.527 0.156 0.000 0.370 243 F C 0.812 176.561 175.800 -0.085 0.000 0.981 243 F CA 0.111 58.062 58.000 -0.081 0.000 1.108 243 F CB 0.646 39.631 39.000 -0.025 0.000 1.086 243 F HN 0.226 nan 8.300 nan 0.000 0.569 244 K N 1.097 121.462 120.400 -0.058 0.000 2.373 244 K HA 0.242 4.656 4.320 0.156 0.000 0.202 244 K C -0.602 175.941 176.600 -0.095 0.000 1.025 244 K CA 0.132 56.334 56.287 -0.142 0.000 1.115 244 K CB 0.085 32.544 32.500 -0.068 0.000 0.858 244 K HN 0.309 nan 8.250 nan 0.000 0.525 245 N N -0.321 118.360 118.700 -0.030 0.000 2.815 245 N HA 0.177 5.010 4.740 0.156 0.000 0.253 245 N C -1.786 173.844 175.510 0.201 0.000 1.202 245 N CA -0.623 52.459 53.050 0.053 0.000 0.925 245 N CB 0.741 39.249 38.487 0.035 0.000 1.622 245 N HN -0.127 nan 8.380 nan 0.000 0.497 246 F N 0.147 120.124 119.950 0.044 0.000 2.605 246 F HA 0.366 4.987 4.527 0.156 0.000 0.320 246 F C -0.706 175.152 175.800 0.096 0.000 1.159 246 F CA -0.475 57.571 58.000 0.077 0.000 0.999 246 F CB 2.044 41.121 39.000 0.129 0.000 1.258 246 F HN 0.593 nan 8.300 nan 0.000 0.464 247 E N 6.690 126.801 120.200 -0.147 0.000 2.014 247 E HA 0.397 4.841 4.350 0.156 0.000 0.275 247 E C -0.868 175.671 176.600 -0.102 0.000 0.997 247 E CA -0.288 56.069 56.400 -0.071 0.000 0.804 247 E CB 0.612 30.269 29.700 -0.073 0.000 1.090 247 E HN 0.503 nan 8.360 nan 0.000 0.401 248 I N 3.160 123.757 120.570 0.045 0.000 2.385 248 I HA 0.224 4.488 4.170 0.156 0.000 0.294 248 I C -0.018 176.115 176.117 0.027 0.000 0.988 248 I CA -0.556 60.782 61.300 0.063 0.000 1.265 248 I CB 1.734 39.830 38.000 0.160 0.000 1.388 248 I HN 0.293 nan 8.210 nan 0.000 0.480 249 T N 6.009 120.561 114.554 -0.003 0.000 2.786 249 T HA 0.619 5.063 4.350 0.156 0.000 0.283 249 T C -0.242 174.447 174.700 -0.018 0.000 0.992 249 T CA -0.541 61.548 62.100 -0.017 0.000 0.954 249 T CB 1.046 69.890 68.868 -0.041 0.000 0.934 249 T HN 0.486 nan 8.240 nan 0.000 0.440 250 I N -0.042 120.518 120.570 -0.017 0.000 2.378 250 I HA 0.623 4.887 4.170 0.156 0.000 0.291 250 I C -0.628 175.465 176.117 -0.041 0.000 0.992 250 I CA -0.987 60.300 61.300 -0.022 0.000 1.154 250 I CB 1.397 39.391 38.000 -0.010 0.000 1.315 250 I HN 0.356 nan 8.210 nan 0.000 0.448 251 K N 6.197 126.568 120.400 -0.050 0.000 2.521 251 K HA 0.695 5.109 4.320 0.156 0.000 0.248 251 K C -0.667 175.880 176.600 -0.090 0.000 0.978 251 K CA -0.527 55.715 56.287 -0.076 0.000 0.947 251 K CB 2.150 34.603 32.500 -0.078 0.000 1.165 251 K HN 0.828 nan 8.250 nan 0.000 0.445 252 A N 3.575 126.315 122.820 -0.133 0.000 2.295 252 A HA 0.751 5.165 4.320 0.156 0.000 0.318 252 A C -0.305 177.097 177.584 -0.302 0.000 1.134 252 A CA -0.657 51.269 52.037 -0.185 0.000 0.827 252 A CB 0.521 19.348 19.000 -0.288 0.000 1.136 252 A HN 0.926 nan 8.150 nan 0.000 0.493 253 R N 0.770 121.083 120.500 -0.313 0.000 2.736 253 R HA 0.381 4.815 4.340 0.156 0.000 0.250 253 R C -1.781 174.361 176.300 -0.263 0.000 1.098 253 R CA -0.737 55.126 56.100 -0.396 0.000 0.978 253 R CB 0.137 30.283 30.300 -0.256 0.000 1.263 253 R HN 0.599 nan 8.270 nan 0.000 0.460 254 Y N 1.319 121.487 120.300 -0.219 0.000 2.296 254 Y HA 0.149 4.793 4.550 0.156 0.000 0.343 254 Y C 1.194 176.980 175.900 -0.190 0.000 1.292 254 Y CA -0.616 57.336 58.100 -0.246 0.000 1.490 254 Y CB 0.502 38.464 38.460 -0.831 0.000 1.359 254 Y HN 0.492 nan 8.280 nan 0.000 0.599 255 F N -0.649 119.250 119.950 -0.084 0.000 2.325 255 F HA -0.172 4.449 4.527 0.156 0.000 0.299 255 F C 1.116 176.973 175.800 0.096 0.000 1.090 255 F CA 0.241 58.263 58.000 0.036 0.000 1.392 255 F CB -0.141 38.938 39.000 0.131 0.000 1.053 255 F HN 0.492 nan 8.300 nan 0.000 0.521 256 Y N 1.051 121.554 120.300 0.338 0.000 2.871 256 Y HA 0.189 4.832 4.550 0.156 0.000 0.378 256 Y C 0.555 176.554 175.900 0.165 0.000 1.069 256 Y CA -1.299 56.933 58.100 0.219 0.000 1.662 256 Y CB -2.164 36.385 38.460 0.147 0.000 1.561 256 Y HN 0.233 nan 8.280 nan 0.000 0.483 257 N N 0.351 119.130 118.700 0.131 0.000 2.707 257 N HA -0.276 4.558 4.740 0.156 0.000 0.253 257 N C -1.207 174.346 175.510 0.072 0.000 0.998 257 N CA 0.776 53.874 53.050 0.079 0.000 0.751 257 N CB -1.030 37.528 38.487 0.118 0.000 0.920 257 N HN 0.576 nan 8.380 nan 0.000 0.539 258 K N 0.715 121.118 120.400 0.006 0.000 2.652 258 K HA 0.247 4.661 4.320 0.156 0.000 0.249 258 K C 0.364 176.864 176.600 -0.166 0.000 0.986 258 K CA -0.614 55.682 56.287 0.015 0.000 0.867 258 K CB 2.472 35.099 32.500 0.210 0.000 1.201 258 K HN 0.216 nan 8.250 nan 0.000 0.450 259 V N 1.049 120.849 119.914 -0.190 0.000 3.178 259 V HA 0.147 4.361 4.120 0.156 0.000 0.306 259 V C 0.684 176.496 176.094 -0.469 0.000 1.107 259 V CA -0.467 61.640 62.300 -0.322 0.000 1.195 259 V CB 0.446 32.142 31.823 -0.211 0.000 0.993 259 V HN 0.329 nan 8.190 nan 0.000 0.493 260 V N 4.314 123.824 119.914 -0.673 0.000 3.096 260 V HA 0.238 4.452 4.120 0.156 0.000 0.306 260 V C 1.144 177.065 176.094 -0.289 0.000 1.088 260 V CA 0.696 62.612 62.300 -0.641 0.000 1.129 260 V CB 0.807 32.206 31.823 -0.706 0.000 1.014 260 V HN 1.256 nan 8.190 nan 0.000 0.486 261 T N 1.052 115.508 114.554 -0.164 0.000 2.281 261 T HA 0.160 4.604 4.350 0.156 0.000 0.180 261 T C 0.382 175.035 174.700 -0.079 0.000 0.683 261 T CA -0.375 61.669 62.100 -0.093 0.000 1.735 261 T CB -0.078 68.767 68.868 -0.040 0.000 3.036 261 T HN 0.745 nan 8.240 nan 0.000 0.399 262 E N 1.222 121.400 120.200 -0.036 0.000 2.465 262 E HA 0.371 4.815 4.350 0.156 0.000 0.260 262 E C -1.047 175.537 176.600 -0.027 0.000 0.980 262 E CA -0.360 56.028 56.400 -0.020 0.000 0.927 262 E CB 0.171 29.875 29.700 0.007 0.000 0.934 262 E HN 0.605 nan 8.360 nan 0.000 0.459 263 A N 4.581 127.389 122.820 -0.020 0.000 2.594 263 A HA 0.256 4.670 4.320 0.156 0.000 0.296 263 A C -1.360 176.248 177.584 0.040 0.000 1.061 263 A CA -0.876 51.158 52.037 -0.004 0.000 0.689 263 A CB 1.612 20.569 19.000 -0.071 0.000 1.280 263 A HN 0.649 nan 8.150 nan 0.000 0.406 264 D N 0.768 121.222 120.400 0.090 0.000 2.302 264 D HA 0.487 5.221 4.640 0.156 0.000 0.248 264 D C -0.615 175.799 176.300 0.189 0.000 1.094 264 D CA 0.366 54.458 54.000 0.152 0.000 0.897 264 D CB 1.725 42.678 40.800 0.255 0.000 1.200 264 D HN 0.217 nan 8.370 nan 0.000 0.429 265 V N 4.298 124.286 119.914 0.124 0.000 2.417 265 V HA 0.265 4.479 4.120 0.156 0.000 0.291 265 V C -0.899 175.225 176.094 0.050 0.000 1.024 265 V CA -0.609 61.749 62.300 0.096 0.000 0.861 265 V CB 0.955 32.784 31.823 0.010 0.000 0.985 265 V HN 0.401 nan 8.190 nan 0.000 0.436 266 Y N 5.099 125.399 120.300 0.001 0.000 2.326 266 Y HA 0.644 5.288 4.550 0.156 0.000 0.329 266 Y C -0.051 175.808 175.900 -0.067 0.000 0.973 266 Y CA -0.751 57.339 58.100 -0.016 0.000 1.162 266 Y CB 1.785 40.244 38.460 -0.001 0.000 1.147 266 Y HN 0.466 nan 8.280 nan 0.000 0.456 267 I N 3.998 124.538 120.570 -0.049 0.000 2.411 267 I HA 0.357 4.621 4.170 0.156 0.000 0.284 267 I C 0.069 175.892 176.117 -0.491 0.000 1.012 267 I CA -0.778 60.371 61.300 -0.251 0.000 1.119 267 I CB 1.674 39.486 38.000 -0.313 0.000 1.261 267 I HN 0.546 nan 8.210 nan 0.000 0.448 268 T N 1.961 116.266 114.554 -0.415 0.000 2.824 268 T HA 0.718 5.162 4.350 0.156 0.000 0.277 268 T C -0.429 173.766 174.700 -0.842 0.000 0.975 268 T CA -0.267 61.592 62.100 -0.401 0.000 0.966 268 T CB 1.292 70.139 68.868 -0.035 0.000 1.054 268 T HN 0.268 nan 8.240 nan 0.000 0.533 269 F N -1.529 118.487 119.950 0.109 0.000 2.692 269 F HA 0.792 5.413 4.527 0.156 0.000 0.320 269 F C 0.586 176.494 175.800 0.181 0.000 1.123 269 F CA -0.879 57.183 58.000 0.103 0.000 0.961 269 F CB 2.104 41.061 39.000 -0.072 0.000 1.383 269 F HN 1.091 nan 8.300 nan 0.000 0.483 270 G N 0.301 109.359 108.800 0.429 0.000 2.576 270 G HA2 0.601 4.655 3.960 0.156 0.000 0.290 270 G HA3 0.601 4.655 3.960 0.156 0.000 0.290 270 G C -1.645 173.378 174.900 0.205 0.000 1.442 270 G CA -0.763 44.481 45.100 0.241 0.000 0.792 270 G HN 0.386 nan 8.290 nan 0.000 0.491 271 I N -0.779 119.870 120.570 0.132 0.000 4.019 271 I HA 0.801 5.065 4.170 0.156 0.000 0.257 271 I C 0.611 176.771 176.117 0.071 0.000 1.421 271 I CA -0.772 60.585 61.300 0.094 0.000 0.967 271 I CB 1.329 39.413 38.000 0.140 0.000 1.591 271 I HN 0.913 nan 8.210 nan 0.000 0.671 272 R N -0.423 120.112 120.500 0.058 0.000 3.214 272 R HA 0.102 4.536 4.340 0.156 0.000 0.283 272 R C -0.552 175.735 176.300 -0.021 0.000 0.945 272 R CA -0.339 55.763 56.100 0.004 0.000 0.817 272 R CB 0.542 30.847 30.300 0.008 0.000 1.393 272 R HN 0.477 nan 8.270 nan 0.000 0.523 273 E N 0.006 120.147 120.200 -0.098 0.000 2.279 273 E HA 0.139 4.582 4.350 0.156 0.000 0.199 273 E C -0.400 175.996 176.600 -0.339 0.000 0.893 273 E CA 1.402 57.728 56.400 -0.123 0.000 0.978 273 E CB 0.312 29.971 29.700 -0.067 0.000 0.964 273 E HN 0.615 nan 8.360 nan 0.000 0.486 274 D N -1.393 118.772 120.400 -0.392 0.000 2.867 274 D HA 0.154 4.888 4.640 0.156 0.000 0.308 274 D C 0.684 176.723 176.300 -0.436 0.000 1.202 274 D CA -0.587 53.078 54.000 -0.557 0.000 1.035 274 D CB 0.456 41.084 40.800 -0.286 0.000 1.427 274 D HN -0.074 nan 8.370 nan 0.000 0.570 275 L N -0.773 120.270 121.223 -0.301 0.000 2.607 275 L HA 0.225 4.659 4.340 0.156 0.000 0.228 275 L C 1.721 178.531 176.870 -0.100 0.000 1.123 275 L CA 0.172 54.931 54.840 -0.135 0.000 0.890 275 L CB 0.011 42.046 42.059 -0.039 0.000 1.103 275 L HN 0.305 nan 8.230 nan 0.000 0.468 276 K N -0.028 120.294 120.400 -0.130 0.000 2.373 276 K HA 0.030 4.444 4.320 0.156 0.000 0.202 276 K C -0.121 176.410 176.600 -0.115 0.000 1.025 276 K CA -0.103 56.103 56.287 -0.135 0.000 1.115 276 K CB 0.524 32.919 32.500 -0.174 0.000 0.858 276 K HN -0.027 nan 8.250 nan 0.000 0.525 277 D N 1.508 121.845 120.400 -0.105 0.000 2.373 277 D HA 0.005 4.739 4.640 0.156 0.000 0.227 277 D C 0.121 176.379 176.300 -0.070 0.000 1.091 277 D CA -0.462 53.486 54.000 -0.087 0.000 0.840 277 D CB 1.356 42.097 40.800 -0.098 0.000 1.060 277 D HN 0.146 nan 8.370 nan 0.000 0.502 278 D N 2.126 122.492 120.400 -0.056 0.000 2.378 278 D HA -0.074 4.660 4.640 0.156 0.000 0.227 278 D C 0.186 176.445 176.300 -0.068 0.000 1.012 278 D CA 0.340 54.313 54.000 -0.045 0.000 0.905 278 D CB -0.027 40.755 40.800 -0.029 0.000 0.895 278 D HN 0.232 nan 8.370 nan 0.000 0.532 279 Q N 0.870 120.619 119.800 -0.084 0.000 2.305 279 Q HA 0.343 4.777 4.340 0.156 0.000 0.271 279 Q C -1.602 174.329 176.000 -0.115 0.000 1.046 279 Q CA -0.684 55.055 55.803 -0.106 0.000 0.798 279 Q CB 1.650 30.334 28.738 -0.090 0.000 1.286 279 Q HN 0.023 nan 8.270 nan 0.000 0.435 280 K N 2.759 123.064 120.400 -0.159 0.000 2.541 280 K HA 0.386 4.800 4.320 0.156 0.000 0.250 280 K C -1.013 175.503 176.600 -0.140 0.000 0.950 280 K CA -0.716 55.481 56.287 -0.149 0.000 0.805 280 K CB 1.546 33.910 32.500 -0.227 0.000 1.166 280 K HN 0.564 nan 8.250 nan 0.000 0.430 281 E N 4.986 125.146 120.200 -0.067 0.000 1.858 281 E HA 0.083 4.527 4.350 0.156 0.000 0.267 281 E C 0.732 177.320 176.600 -0.021 0.000 1.215 281 E CA -0.190 56.176 56.400 -0.056 0.000 0.952 281 E CB -0.027 29.651 29.700 -0.037 0.000 1.058 281 E HN 0.450 nan 8.360 nan 0.000 0.407 282 M N 1.419 120.989 119.600 -0.050 0.000 1.881 282 M HA -0.060 4.514 4.480 0.156 0.000 0.179 282 M C 0.632 176.970 176.300 0.063 0.000 1.128 282 M CA 1.144 56.451 55.300 0.011 0.000 0.743 282 M CB -0.248 32.349 32.600 -0.003 0.000 1.018 282 M HN 0.429 nan 8.290 nan 0.000 0.276 283 M N 0.342 120.015 119.600 0.121 0.000 2.501 283 M HA 0.284 4.857 4.480 0.156 0.000 0.293 283 M C -0.246 176.148 176.300 0.156 0.000 1.192 283 M CA -0.869 54.521 55.300 0.149 0.000 0.886 283 M CB 2.595 35.332 32.600 0.228 0.000 1.710 283 M HN 0.511 nan 8.290 nan 0.000 0.457 284 Q N -0.163 119.714 119.800 0.128 0.000 2.185 284 Q HA 0.489 4.923 4.340 0.156 0.000 0.225 284 Q C -0.217 175.873 176.000 0.150 0.000 0.983 284 Q CA -0.270 55.611 55.803 0.129 0.000 0.950 284 Q CB 0.414 29.207 28.738 0.091 0.000 1.176 284 Q HN 0.884 nan 8.270 nan 0.000 0.510 285 T N -1.482 113.154 114.554 0.137 0.000 4.252 285 T HA -0.146 4.298 4.350 0.156 0.000 0.331 285 T C -0.019 174.811 174.700 0.217 0.000 0.771 285 T CA 0.944 63.126 62.100 0.137 0.000 1.939 285 T CB -2.143 66.782 68.868 0.096 0.000 1.907 285 T HN 0.896 nan 8.240 nan 0.000 0.892 286 A N 1.037 124.026 122.820 0.280 0.000 2.279 286 A HA 0.708 5.122 4.320 0.156 0.000 0.306 286 A C 0.671 178.428 177.584 0.289 0.000 1.300 286 A CA -0.548 51.764 52.037 0.458 0.000 0.925 286 A CB 0.106 19.391 19.000 0.475 0.000 1.152 286 A HN 0.571 nan 8.150 nan 0.000 0.544 287 M N 3.287 123.090 119.600 0.339 0.000 2.408 287 M HA -0.016 4.557 4.480 0.156 0.000 0.363 287 M C 0.891 177.204 176.300 0.021 0.000 1.636 287 M CA 0.624 56.018 55.300 0.158 0.000 1.029 287 M CB -0.015 32.689 32.600 0.174 0.000 2.068 287 M HN 0.812 nan 8.290 nan 0.000 0.466 288 Q N 2.980 122.734 119.800 -0.077 0.000 2.354 288 Q HA 0.325 4.759 4.340 0.156 0.000 0.244 288 Q C -0.527 175.300 176.000 -0.289 0.000 0.969 288 Q CA -1.090 54.525 55.803 -0.312 0.000 0.885 288 Q CB 0.513 29.013 28.738 -0.396 0.000 1.241 288 Q HN 0.616 nan 8.270 nan 0.000 0.461 289 N N 0.685 119.127 118.700 -0.429 0.000 2.621 289 N HA -0.153 4.681 4.740 0.156 0.000 0.291 289 N C -0.844 174.604 175.510 -0.103 0.000 1.580 289 N CA 1.179 54.081 53.050 -0.247 0.000 1.058 289 N CB -0.862 37.490 38.487 -0.224 0.000 0.975 289 N HN 0.844 nan 8.380 nan 0.000 0.477 290 T N 2.039 116.557 114.554 -0.060 0.000 3.332 290 T HA 0.273 4.717 4.350 0.156 0.000 0.304 290 T C 0.188 174.878 174.700 -0.017 0.000 0.971 290 T CA -0.311 61.774 62.100 -0.025 0.000 0.954 290 T CB -0.076 68.788 68.868 -0.007 0.000 1.175 290 T HN 0.569 nan 8.240 nan 0.000 0.519 291 M N 2.249 121.840 119.600 -0.015 0.000 4.041 291 M HA -0.138 4.436 4.480 0.156 0.000 0.157 291 M C -0.228 176.064 176.300 -0.013 0.000 1.531 291 M CA -0.111 55.188 55.300 -0.002 0.000 1.095 291 M CB -0.201 32.402 32.600 0.005 0.000 1.346 291 M HN 0.165 nan 8.290 nan 0.000 0.198 292 L N 5.727 126.939 121.223 -0.018 0.000 2.615 292 L HA 0.194 4.628 4.340 0.156 0.000 0.284 292 L C -0.304 176.536 176.870 -0.051 0.000 1.237 292 L CA 1.333 56.147 54.840 -0.044 0.000 0.905 292 L CB 0.139 42.154 42.059 -0.073 0.000 1.149 292 L HN 0.639 nan 8.230 nan 0.000 0.499 293 I N 6.077 126.614 120.570 -0.054 0.000 2.503 293 I HA 0.202 4.466 4.170 0.156 0.000 0.282 293 I C 0.406 176.486 176.117 -0.061 0.000 1.059 293 I CA -0.427 60.843 61.300 -0.050 0.000 1.081 293 I CB 0.846 38.827 38.000 -0.031 0.000 1.210 293 I HN 0.748 nan 8.210 nan 0.000 0.450 294 N N 5.432 124.088 118.700 -0.073 0.000 2.681 294 N HA -0.191 4.643 4.740 0.156 0.000 0.259 294 N C 0.817 176.265 175.510 -0.104 0.000 1.066 294 N CA 0.988 53.988 53.050 -0.083 0.000 0.717 294 N CB -0.283 38.169 38.487 -0.058 0.000 0.885 294 N HN 1.192 nan 8.380 nan 0.000 0.547 295 G N -0.372 108.340 108.800 -0.147 0.000 2.168 295 G HA2 -0.267 3.787 3.960 0.156 0.000 0.263 295 G HA3 -0.267 3.787 3.960 0.156 0.000 0.263 295 G C 0.225 175.052 174.900 -0.122 0.000 0.977 295 G CA 0.951 45.953 45.100 -0.164 0.000 0.659 295 G HN 0.640 nan 8.290 nan 0.000 0.533 296 I N -2.390 118.122 120.570 -0.097 0.000 3.421 296 I HA 0.867 5.131 4.170 0.156 0.000 0.319 296 I C 0.234 176.318 176.117 -0.054 0.000 1.258 296 I CA -0.523 60.734 61.300 -0.072 0.000 0.913 296 I CB 1.011 38.975 38.000 -0.060 0.000 1.328 296 I HN 1.217 nan 8.210 nan 0.000 0.480 297 A N 0.587 123.385 122.820 -0.037 0.000 2.462 297 A HA 0.746 5.160 4.320 0.156 0.000 0.299 297 A C -1.834 175.743 177.584 -0.011 0.000 1.047 297 A CA -0.422 51.602 52.037 -0.022 0.000 0.581 297 A CB 1.967 20.956 19.000 -0.018 0.000 1.466 297 A HN 0.754 nan 8.150 nan 0.000 0.616 298 Q N -2.028 117.774 119.800 0.004 0.000 2.874 298 Q HA 0.601 5.035 4.340 0.156 0.000 0.303 298 Q C -1.462 174.563 176.000 0.042 0.000 0.876 298 Q CA -0.315 55.500 55.803 0.019 0.000 0.765 298 Q CB 2.440 31.183 28.738 0.008 0.000 1.478 298 Q HN 1.861 nan 8.270 nan 0.000 0.434 299 V N -3.023 116.931 119.914 0.067 0.000 3.187 299 V HA 0.911 5.124 4.120 0.156 0.000 0.303 299 V C -1.471 174.694 176.094 0.118 0.000 1.529 299 V CA -0.597 61.760 62.300 0.095 0.000 1.042 299 V CB 1.703 33.605 31.823 0.131 0.000 1.089 299 V HN 0.957 nan 8.190 nan 0.000 0.471 300 T N -1.026 113.614 114.554 0.144 0.000 3.295 300 T HA 0.640 5.083 4.350 0.156 0.000 0.331 300 T C -1.384 173.431 174.700 0.191 0.000 1.142 300 T CA 0.016 62.213 62.100 0.163 0.000 1.078 300 T CB 1.406 70.329 68.868 0.090 0.000 1.150 300 T HN 1.751 nan 8.240 nan 0.000 0.465 301 F N 3.359 123.321 119.950 0.020 0.000 2.451 301 F HA 0.426 5.046 4.527 0.156 0.000 0.367 301 F C 0.079 175.801 175.800 -0.129 0.000 1.100 301 F CA -0.985 56.955 58.000 -0.100 0.000 1.171 301 F CB 0.526 39.390 39.000 -0.226 0.000 1.405 301 F HN 0.697 nan 8.300 nan 0.000 0.482 302 D N 3.244 123.422 120.400 -0.370 0.000 2.503 302 D HA -0.082 4.652 4.640 0.156 0.000 0.280 302 D C 0.961 176.794 176.300 -0.777 0.000 1.405 302 D CA 0.696 54.431 54.000 -0.442 0.000 1.049 302 D CB 0.898 41.529 40.800 -0.281 0.000 1.127 302 D HN 0.524 nan 8.370 nan 0.000 0.551 303 S N 3.166 118.361 115.700 -0.843 0.000 2.400 303 S HA -0.198 4.366 4.470 0.156 0.000 0.232 303 S C 1.559 175.717 174.600 -0.737 0.000 1.025 303 S CA 0.879 58.553 58.200 -0.877 0.000 0.993 303 S CB -0.093 62.821 63.200 -0.476 0.000 0.808 303 S HN 0.662 nan 8.310 nan 0.000 0.478 304 E N 0.857 120.557 120.200 -0.834 0.000 2.028 304 E HA -0.202 4.242 4.350 0.156 0.000 0.217 304 E C 1.974 178.387 176.600 -0.312 0.000 1.039 304 E CA 1.993 58.048 56.400 -0.574 0.000 0.882 304 E CB -0.421 29.034 29.700 -0.408 0.000 0.794 304 E HN 0.479 nan 8.360 nan 0.000 0.488 305 T N 1.075 115.470 114.554 -0.265 0.000 2.238 305 T HA -0.300 4.144 4.350 0.156 0.000 0.209 305 T C 1.233 175.831 174.700 -0.170 0.000 1.608 305 T CA 1.646 63.638 62.100 -0.180 0.000 1.140 305 T CB -0.817 67.942 68.868 -0.181 0.000 0.854 305 T HN 0.420 nan 8.240 nan 0.000 0.402 306 A N 0.926 123.606 122.820 -0.233 0.000 3.110 306 A HA 0.403 4.817 4.320 0.156 0.000 0.265 306 A C 0.974 178.532 177.584 -0.043 0.000 1.962 306 A CA 0.075 52.043 52.037 -0.115 0.000 1.493 306 A CB -0.844 18.108 19.000 -0.079 0.000 0.941 306 A HN 0.476 nan 8.150 nan 0.000 0.610 307 V N -0.737 119.168 119.914 -0.014 0.000 3.079 307 V HA -0.096 4.118 4.120 0.156 0.000 0.231 307 V C 1.879 178.019 176.094 0.077 0.000 1.692 307 V CA 0.769 63.115 62.300 0.076 0.000 1.037 307 V CB -0.782 31.106 31.823 0.107 0.000 1.015 307 V HN 0.620 nan 8.190 nan 0.000 0.431 308 K N 1.146 121.570 120.400 0.039 0.000 1.975 308 K HA -0.307 4.107 4.320 0.156 0.000 0.230 308 K C 1.854 178.468 176.600 0.023 0.000 1.044 308 K CA 2.520 58.833 56.287 0.043 0.000 1.022 308 K CB -0.226 32.286 32.500 0.019 0.000 0.739 308 K HN 0.409 nan 8.250 nan 0.000 0.446 309 E N 1.153 121.357 120.200 0.007 0.000 2.409 309 E HA -0.097 4.347 4.350 0.156 0.000 0.198 309 E C 1.402 177.992 176.600 -0.016 0.000 1.024 309 E CA 0.691 57.087 56.400 -0.006 0.000 0.861 309 E CB -0.057 29.641 29.700 -0.004 0.000 0.788 309 E HN 0.288 nan 8.360 nan 0.000 0.521 310 L N -0.600 120.624 121.223 0.003 0.000 2.592 310 L HA 0.268 4.702 4.340 0.156 0.000 0.227 310 L C 0.322 177.186 176.870 -0.010 0.000 1.127 310 L CA -0.098 54.748 54.840 0.010 0.000 0.884 310 L CB -0.091 41.998 42.059 0.049 0.000 1.065 310 L HN -0.051 nan 8.230 nan 0.000 0.457 311 S N -3.248 112.424 115.700 -0.048 0.000 2.655 311 S HA 0.153 4.717 4.470 0.156 0.000 0.263 311 S C -0.106 174.360 174.600 -0.223 0.000 1.091 311 S CA -0.703 57.400 58.200 -0.163 0.000 0.865 311 S CB 0.210 63.349 63.200 -0.102 0.000 1.146 311 S HN 0.011 nan 8.310 nan 0.000 0.482 312 Y N 0.228 120.254 120.300 -0.457 0.000 2.716 312 Y HA -0.076 4.568 4.550 0.156 0.000 0.302 312 Y C -0.194 175.441 175.900 -0.441 0.000 1.160 312 Y CA 0.720 58.548 58.100 -0.454 0.000 1.362 312 Y CB -0.089 38.096 38.460 -0.457 0.000 0.988 312 Y HN 0.374 nan 8.280 nan 0.000 0.546 313 Y N -0.929 119.445 120.300 0.123 0.000 2.385 313 Y HA 0.211 4.855 4.550 0.156 0.000 0.341 313 Y C 0.935 176.868 175.900 0.055 0.000 0.965 313 Y CA -0.736 57.405 58.100 0.069 0.000 1.180 313 Y CB 0.897 39.373 38.460 0.026 0.000 1.139 313 Y HN -0.078 nan 8.280 nan 0.000 0.502 314 S N 1.503 117.309 115.700 0.177 0.000 2.526 314 S HA 0.302 4.865 4.470 0.156 0.000 0.220 314 S C -0.072 174.617 174.600 0.148 0.000 1.017 314 S CA -0.255 58.021 58.200 0.126 0.000 0.930 314 S CB 0.374 63.625 63.200 0.084 0.000 0.856 314 S HN 0.544 nan 8.310 nan 0.000 0.497 315 L N 2.400 123.727 121.223 0.173 0.000 2.307 315 L HA 0.429 4.863 4.340 0.156 0.000 0.284 315 L C 1.368 178.369 176.870 0.220 0.000 1.023 315 L CA -0.501 54.440 54.840 0.168 0.000 0.810 315 L CB 1.561 43.686 42.059 0.110 0.000 1.231 315 L HN 0.108 nan 8.230 nan 0.000 0.423 316 E N 2.058 122.413 120.200 0.257 0.000 1.927 316 E HA -0.294 4.150 4.350 0.156 0.000 0.221 316 E C 0.877 177.492 176.600 0.026 0.000 0.965 316 E CA 1.954 58.405 56.400 0.084 0.000 0.881 316 E CB 0.063 29.511 29.700 -0.420 0.000 0.810 316 E HN 0.845 nan 8.360 nan 0.000 0.569 317 D N 0.222 120.592 120.400 -0.050 0.000 2.632 317 D HA -0.295 4.439 4.640 0.156 0.000 0.588 317 D C 1.642 177.959 176.300 0.029 0.000 0.941 317 D CA 2.224 56.217 54.000 -0.012 0.000 1.653 317 D CB -1.035 39.763 40.800 -0.002 0.000 0.356 317 D HN 0.305 nan 8.370 nan 0.000 0.482 318 L N 0.218 121.479 121.223 0.063 0.000 3.033 318 L HA -0.146 4.288 4.340 0.156 0.000 0.261 318 L C 0.248 177.168 176.870 0.084 0.000 1.153 318 L CA 0.260 55.159 54.840 0.098 0.000 0.888 318 L CB -0.479 41.667 42.059 0.145 0.000 1.136 318 L HN 0.103 nan 8.230 nan 0.000 0.447 319 N N 0.057 118.769 118.700 0.019 0.000 2.480 319 N HA 0.249 5.083 4.740 0.156 0.000 0.289 319 N C -0.473 175.035 175.510 -0.004 0.000 1.073 319 N CA -0.368 52.630 53.050 -0.087 0.000 0.885 319 N CB 0.915 39.266 38.487 -0.227 0.000 1.421 319 N HN -0.029 nan 8.380 nan 0.000 0.503 320 N N 1.849 120.549 118.700 -0.001 0.000 2.217 320 N HA 0.053 4.887 4.740 0.156 0.000 0.239 320 N C -0.504 175.068 175.510 0.104 0.000 1.330 320 N CA 0.015 53.107 53.050 0.069 0.000 0.838 320 N CB 1.316 39.844 38.487 0.068 0.000 1.287 320 N HN 0.572 nan 8.380 nan 0.000 0.498 321 K N -0.406 120.029 120.400 0.058 0.000 2.642 321 K HA 0.371 4.785 4.320 0.156 0.000 0.273 321 K C -0.372 176.371 176.600 0.239 0.000 1.029 321 K CA -0.595 55.814 56.287 0.203 0.000 1.071 321 K CB 0.595 33.123 32.500 0.048 0.000 1.451 321 K HN -0.128 nan 8.250 nan 0.000 0.559 322 Y N -0.616 119.638 120.300 -0.076 0.000 2.418 322 Y HA 0.395 5.039 4.550 0.157 0.000 0.327 322 Y C 0.036 175.925 175.900 -0.018 0.000 1.309 322 Y CA -1.392 56.702 58.100 -0.010 0.000 1.423 322 Y CB 1.115 39.583 38.460 0.014 0.000 1.423 322 Y HN 0.117 nan 8.280 nan 0.000 0.532 323 L N 2.484 123.840 121.223 0.222 0.000 2.471 323 L HA 0.269 4.703 4.340 0.156 0.000 0.263 323 L C -1.798 175.196 176.870 0.208 0.000 0.985 323 L CA -0.508 54.456 54.840 0.206 0.000 0.868 323 L CB 0.807 43.038 42.059 0.287 0.000 1.203 323 L HN 0.727 nan 8.230 nan 0.000 0.429 324 Y N 5.865 126.231 120.300 0.109 0.000 2.313 324 Y HA 0.611 5.254 4.550 0.156 0.000 0.332 324 Y C -0.611 175.338 175.900 0.081 0.000 1.071 324 Y CA -0.499 57.653 58.100 0.086 0.000 1.169 324 Y CB 1.096 39.597 38.460 0.068 0.000 1.192 324 Y HN 0.473 nan 8.280 nan 0.000 0.487 325 I N 5.798 126.059 120.570 -0.514 0.000 2.569 325 I HA 0.758 5.022 4.170 0.156 0.000 0.296 325 I C -0.873 174.793 176.117 -0.752 0.000 1.028 325 I CA -1.205 59.842 61.300 -0.422 0.000 1.082 325 I CB 1.959 39.865 38.000 -0.158 0.000 1.264 325 I HN 0.784 nan 8.210 nan 0.000 0.429 326 A N 5.251 127.833 122.820 -0.397 0.000 2.480 326 A HA 0.709 5.123 4.320 0.156 0.000 0.289 326 A C -1.145 176.346 177.584 -0.155 0.000 1.044 326 A CA -0.430 51.472 52.037 -0.224 0.000 0.761 326 A CB 1.343 20.356 19.000 0.020 0.000 1.289 326 A HN 0.372 nan 8.150 nan 0.000 0.401 327 V N 0.917 120.769 119.914 -0.103 0.000 2.975 327 V HA 0.840 5.053 4.120 0.156 0.000 0.318 327 V C 0.243 176.345 176.094 0.013 0.000 1.077 327 V CA -0.512 61.758 62.300 -0.050 0.000 1.000 327 V CB 2.114 33.919 31.823 -0.030 0.000 1.066 327 V HN 0.909 nan 8.190 nan 0.000 0.452 328 T N 1.410 116.005 114.554 0.068 0.000 2.928 328 T HA 0.544 4.988 4.350 0.156 0.000 0.296 328 T C -0.901 173.887 174.700 0.147 0.000 1.000 328 T CA -0.341 61.810 62.100 0.086 0.000 0.989 328 T CB 1.583 70.477 68.868 0.044 0.000 1.005 328 T HN 0.394 nan 8.240 nan 0.000 0.442 329 V N 5.319 125.340 119.914 0.180 0.000 2.305 329 V HA 0.432 4.646 4.120 0.156 0.000 0.275 329 V C 0.247 176.559 176.094 0.363 0.000 1.020 329 V CA -0.973 61.467 62.300 0.233 0.000 0.811 329 V CB 0.546 32.498 31.823 0.215 0.000 1.031 329 V HN 0.863 nan 8.190 nan 0.000 0.439 330 I N 0.740 121.461 120.570 0.251 0.000 2.342 330 I HA 0.573 4.837 4.170 0.156 0.000 0.291 330 I C 0.389 176.644 176.117 0.229 0.000 1.010 330 I CA -0.248 61.211 61.300 0.265 0.000 1.308 330 I CB 1.226 39.286 38.000 0.100 0.000 1.400 330 I HN 0.726 nan 8.210 nan 0.000 0.488 331 E N 4.749 125.151 120.200 0.335 0.000 2.392 331 E HA -0.014 4.430 4.350 0.156 0.000 0.264 331 E C 0.487 177.146 176.600 0.099 0.000 1.024 331 E CA -0.067 56.434 56.400 0.168 0.000 0.903 331 E CB 1.444 31.320 29.700 0.294 0.000 0.963 331 E HN 0.831 nan 8.360 nan 0.000 0.432 332 S N 2.633 118.362 115.700 0.048 0.000 2.387 332 S HA -0.157 4.407 4.470 0.156 0.000 0.226 332 S C 1.900 176.506 174.600 0.009 0.000 1.026 332 S CA 1.866 60.081 58.200 0.026 0.000 0.972 332 S CB -0.335 62.884 63.200 0.031 0.000 0.814 332 S HN 0.758 nan 8.310 nan 0.000 0.477 333 T N -0.450 114.113 114.554 0.015 0.000 2.698 333 T HA 0.096 4.540 4.350 0.156 0.000 0.260 333 T C 1.926 176.550 174.700 -0.127 0.000 1.044 333 T CA 1.728 63.802 62.100 -0.043 0.000 1.149 333 T CB -1.127 67.734 68.868 -0.012 0.000 0.864 333 T HN 0.405 nan 8.240 nan 0.000 0.419 334 G N -0.322 108.414 108.800 -0.108 0.000 2.430 334 G HA2 0.363 4.417 3.960 0.156 0.000 0.216 334 G HA3 0.363 4.417 3.960 0.156 0.000 0.216 334 G C 1.341 176.082 174.900 -0.265 0.000 1.146 334 G CA 0.370 45.296 45.100 -0.291 0.000 0.793 334 G HN 1.492 nan 8.290 nan 0.000 0.537 335 G N -1.189 107.538 108.800 -0.121 0.000 2.157 335 G HA2 -0.242 3.812 3.960 0.156 0.000 0.239 335 G HA3 -0.242 3.812 3.960 0.156 0.000 0.239 335 G C 0.396 175.283 174.900 -0.022 0.000 0.982 335 G CA 0.012 45.086 45.100 -0.042 0.000 0.650 335 G HN 0.361 nan 8.290 nan 0.000 0.527 336 F N 0.760 120.681 119.950 -0.048 0.000 2.378 336 F HA 0.544 5.165 4.527 0.157 0.000 0.290 336 F C 1.301 177.102 175.800 0.003 0.000 1.282 336 F CA 1.112 59.023 58.000 -0.149 0.000 1.278 336 F CB 0.751 39.569 39.000 -0.304 0.000 1.364 336 F HN 0.188 nan 8.300 nan 0.000 0.514 337 S N -0.018 115.833 115.700 0.252 0.000 2.533 337 S HA 0.474 5.038 4.470 0.156 0.000 0.271 337 S C -1.694 172.899 174.600 -0.013 0.000 1.143 337 S CA -0.585 57.704 58.200 0.149 0.000 0.891 337 S CB 1.589 64.844 63.200 0.091 0.000 1.105 337 S HN 0.500 nan 8.310 nan 0.000 0.468 338 E N 1.717 121.882 120.200 -0.058 0.000 2.314 338 E HA 0.572 5.015 4.350 0.156 0.000 0.272 338 E C -1.499 175.085 176.600 -0.027 0.000 0.884 338 E CA -0.424 55.845 56.400 -0.220 0.000 0.753 338 E CB 1.799 31.081 29.700 -0.696 0.000 1.213 338 E HN 0.665 nan 8.360 nan 0.000 0.432 339 E N 0.876 121.044 120.200 -0.053 0.000 2.277 339 E HA 0.884 5.328 4.350 0.156 0.000 0.266 339 E C -1.381 175.208 176.600 -0.019 0.000 0.901 339 E CA -1.330 55.061 56.400 -0.015 0.000 0.782 339 E CB 2.120 31.807 29.700 -0.022 0.000 1.228 339 E HN 0.431 nan 8.360 nan 0.000 0.424 340 A N 2.103 124.916 122.820 -0.012 0.000 2.540 340 A HA 0.476 4.889 4.320 0.156 0.000 0.297 340 A C -1.414 176.133 177.584 -0.061 0.000 1.056 340 A CA -0.845 51.176 52.037 -0.027 0.000 0.700 340 A CB 1.255 20.248 19.000 -0.012 0.000 1.280 340 A HN 0.681 nan 8.150 nan 0.000 0.398 341 E N 1.665 121.814 120.200 -0.085 0.000 2.369 341 E HA 0.820 5.264 4.350 0.156 0.000 0.270 341 E C -1.400 175.072 176.600 -0.214 0.000 0.909 341 E CA -0.915 55.372 56.400 -0.189 0.000 0.775 341 E CB 2.005 31.615 29.700 -0.149 0.000 1.270 341 E HN 0.486 nan 8.360 nan 0.000 0.445 342 I N 2.231 122.580 120.570 -0.369 0.000 2.418 342 I HA 0.237 4.501 4.170 0.156 0.000 0.287 342 I C -1.996 173.931 176.117 -0.317 0.000 1.008 342 I CA -2.621 58.524 61.300 -0.258 0.000 1.104 342 I CB 1.783 39.681 38.000 -0.170 0.000 1.264 342 I HN 0.422 nan 8.210 nan 0.000 0.438 343 P HA -0.145 nan 4.420 nan 0.000 0.212 343 P C 0.542 177.930 177.300 0.146 0.000 1.174 343 P CA 1.130 64.266 63.100 0.060 0.000 0.934 343 P CB 0.231 31.979 31.700 0.080 0.000 0.791 344 G N -2.594 106.282 108.800 0.127 0.000 2.608 344 G HA2 0.638 4.691 3.960 0.156 0.000 0.291 344 G HA3 0.638 4.691 3.960 0.156 0.000 0.291 344 G C -1.943 172.976 174.900 0.032 0.000 1.425 344 G CA -0.437 44.784 45.100 0.201 0.000 0.787 344 G HN 0.028 nan 8.290 nan 0.000 0.484 345 I N 1.204 121.750 120.570 -0.040 0.000 2.560 345 I HA 0.239 4.503 4.170 0.156 0.000 0.278 345 I C -0.052 175.890 176.117 -0.292 0.000 1.089 345 I CA -0.593 60.588 61.300 -0.199 0.000 1.086 345 I CB 1.858 39.781 38.000 -0.127 0.000 1.202 345 I HN 0.342 nan 8.210 nan 0.000 0.471 346 K N 6.246 126.248 120.400 -0.664 0.000 2.419 346 K HA 0.137 4.551 4.320 0.156 0.000 0.282 346 K C -0.576 175.971 176.600 -0.089 0.000 1.056 346 K CA 0.144 56.030 56.287 -0.668 0.000 1.035 346 K CB 0.379 32.395 32.500 -0.807 0.000 0.921 346 K HN 0.380 nan 8.250 nan 0.000 0.472 347 Y N 2.186 122.399 120.300 -0.145 0.000 2.511 347 Y HA 0.055 4.698 4.550 0.156 0.000 0.347 347 Y C 0.606 176.530 175.900 0.040 0.000 1.257 347 Y CA -0.501 57.589 58.100 -0.018 0.000 1.469 347 Y CB 0.918 39.371 38.460 -0.011 0.000 1.353 347 Y HN 0.206 nan 8.280 nan 0.000 0.617 348 V N 3.520 123.527 119.914 0.155 0.000 3.078 348 V HA 0.114 4.328 4.120 0.156 0.000 0.311 348 V C 0.317 176.445 176.094 0.057 0.000 1.138 348 V CA -0.918 61.446 62.300 0.108 0.000 1.007 348 V CB 1.972 33.832 31.823 0.063 0.000 1.045 348 V HN 0.791 nan 8.190 nan 0.000 0.432 349 L N 1.196 122.443 121.223 0.040 0.000 2.056 349 L HA 0.301 4.735 4.340 0.156 0.000 0.202 349 L C 0.924 177.801 176.870 0.010 0.000 1.086 349 L CA 1.650 56.490 54.840 0.001 0.000 0.758 349 L CB 0.749 42.806 42.059 -0.004 0.000 0.912 349 L HN 0.738 nan 8.230 nan 0.000 0.446 350 S N -0.883 114.830 115.700 0.022 0.000 2.561 350 S HA 0.446 5.010 4.470 0.156 0.000 0.303 350 S C -2.123 172.513 174.600 0.061 0.000 1.110 350 S CA -1.271 56.960 58.200 0.051 0.000 1.034 350 S CB 1.659 64.884 63.200 0.041 0.000 1.010 350 S HN 0.019 nan 8.310 nan 0.000 0.482 351 P HA 0.124 nan 4.420 nan 0.000 0.239 351 P C -0.966 176.176 177.300 -0.264 0.000 1.184 351 P CA 0.725 63.731 63.100 -0.158 0.000 0.760 351 P CB -0.253 31.307 31.700 -0.232 0.000 0.884 352 Y N 0.409 120.682 120.300 -0.045 0.000 2.562 352 Y HA 0.480 5.124 4.550 0.156 0.000 0.343 352 Y C 0.805 176.693 175.900 -0.019 0.000 1.025 352 Y CA -1.127 56.953 58.100 -0.034 0.000 1.082 352 Y CB 2.015 40.460 38.460 -0.024 0.000 1.264 352 Y HN -0.311 nan 8.280 nan 0.000 0.478 353 K N 2.663 123.157 120.400 0.157 0.000 2.687 353 K HA 0.404 4.818 4.320 0.156 0.000 0.249 353 K C -1.719 174.937 176.600 0.092 0.000 0.994 353 K CA -0.603 55.742 56.287 0.098 0.000 0.913 353 K CB 1.131 33.670 32.500 0.065 0.000 1.202 353 K HN 0.476 nan 8.250 nan 0.000 0.460 354 L N 3.024 124.299 121.223 0.087 0.000 2.452 354 L HA 0.297 4.731 4.340 0.156 0.000 0.267 354 L C 0.174 177.102 176.870 0.097 0.000 1.188 354 L CA -0.051 54.837 54.840 0.080 0.000 0.821 354 L CB -0.027 42.079 42.059 0.079 0.000 1.102 354 L HN 0.889 nan 8.230 nan 0.000 0.470 355 N N 2.363 121.108 118.700 0.075 0.000 2.616 355 N HA 0.231 5.065 4.740 0.156 0.000 0.281 355 N C -0.889 174.628 175.510 0.011 0.000 1.145 355 N CA -0.641 52.461 53.050 0.087 0.000 0.919 355 N CB 1.199 39.729 38.487 0.073 0.000 1.509 355 N HN 0.482 nan 8.380 nan 0.000 0.537 356 L N 0.770 121.954 121.223 -0.065 0.000 2.557 356 L HA -0.025 4.409 4.340 0.156 0.000 0.308 356 L C -0.049 176.774 176.870 -0.079 0.000 1.283 356 L CA 0.424 55.154 54.840 -0.184 0.000 0.847 356 L CB 0.170 42.011 42.059 -0.364 0.000 1.088 356 L HN 0.371 nan 8.230 nan 0.000 0.537 357 V N 1.267 121.139 119.914 -0.069 0.000 2.623 357 V HA 0.389 4.603 4.120 0.156 0.000 0.304 357 V C 0.393 176.508 176.094 0.034 0.000 1.054 357 V CA -0.511 61.784 62.300 -0.007 0.000 0.882 357 V CB 1.500 33.326 31.823 0.004 0.000 1.002 357 V HN 0.959 nan 8.190 nan 0.000 0.424 358 A N 3.481 126.367 122.820 0.110 0.000 2.409 358 A HA -0.141 4.273 4.320 0.156 0.000 0.290 358 A C 0.631 178.311 177.584 0.161 0.000 1.440 358 A CA 1.407 53.575 52.037 0.217 0.000 0.775 358 A CB -1.536 17.657 19.000 0.322 0.000 1.069 358 A HN 1.684 nan 8.150 nan 0.000 0.389 359 T N -1.266 113.332 114.554 0.074 0.000 3.141 359 T HA 0.572 5.016 4.350 0.156 0.000 0.377 359 T C -2.427 172.297 174.700 0.039 0.000 1.258 359 T CA -1.681 60.431 62.100 0.020 0.000 1.263 359 T CB 1.483 70.285 68.868 -0.109 0.000 1.066 359 T HN 0.185 nan 8.240 nan 0.000 0.546 360 P HA 0.094 nan 4.420 nan 0.000 0.266 360 P C -0.110 177.203 177.300 0.022 0.000 1.186 360 P CA -0.349 62.796 63.100 0.075 0.000 0.767 360 P CB 0.441 32.238 31.700 0.161 0.000 0.820 361 L N 2.748 123.756 121.223 -0.359 0.000 2.984 361 L HA 0.308 4.742 4.340 0.156 0.000 0.246 361 L C -0.337 175.927 176.870 -1.011 0.000 1.268 361 L CA 0.468 54.998 54.840 -0.517 0.000 1.054 361 L CB -1.026 40.763 42.059 -0.450 0.000 1.393 361 L HN 0.229 nan 8.230 nan 0.000 0.532 362 F N 0.666 120.562 119.950 -0.089 0.000 2.500 362 F HA 0.498 5.119 4.527 0.156 0.000 0.349 362 F C -0.173 175.454 175.800 -0.288 0.000 1.127 362 F CA -1.460 56.434 58.000 -0.176 0.000 0.998 362 F CB 0.850 39.799 39.000 -0.084 0.000 1.237 362 F HN -0.167 nan 8.300 nan 0.000 0.439 363 L N 1.614 122.613 121.223 -0.374 0.000 2.325 363 L HA 0.512 4.946 4.340 0.156 0.000 0.284 363 L C -0.089 176.649 176.870 -0.219 0.000 1.089 363 L CA -0.798 53.772 54.840 -0.450 0.000 0.836 363 L CB -0.484 41.188 42.059 -0.645 0.000 1.184 363 L HN 0.264 nan 8.230 nan 0.000 0.444 364 K N 3.866 124.170 120.400 -0.160 0.000 2.397 364 K HA 0.257 4.671 4.320 0.156 0.000 0.265 364 K C -2.227 174.259 176.600 -0.189 0.000 0.982 364 K CA -0.954 55.215 56.287 -0.196 0.000 0.931 364 K CB -0.379 32.089 32.500 -0.053 0.000 0.943 364 K HN 0.435 nan 8.250 nan 0.000 0.501 365 P HA 0.253 nan 4.420 nan 0.000 0.287 365 P C 0.536 177.878 177.300 0.070 0.000 1.270 365 P CA -0.246 62.792 63.100 -0.104 0.000 0.844 365 P CB 1.496 33.110 31.700 -0.143 0.000 1.068 366 G N 1.604 110.450 108.800 0.076 0.000 2.507 366 G HA2 -0.292 3.762 3.960 0.156 0.000 0.240 366 G HA3 -0.292 3.762 3.960 0.156 0.000 0.240 366 G C 0.407 175.375 174.900 0.114 0.000 1.119 366 G CA -0.038 45.126 45.100 0.106 0.000 0.664 366 G HN 0.510 nan 8.290 nan 0.000 0.516 367 I N 3.521 124.171 120.570 0.134 0.000 2.938 367 I HA 0.240 4.504 4.170 0.156 0.000 0.285 367 I C -1.610 174.596 176.117 0.148 0.000 1.182 367 I CA -1.425 59.978 61.300 0.171 0.000 1.388 367 I CB 0.719 38.874 38.000 0.258 0.000 1.390 367 I HN 0.074 nan 8.210 nan 0.000 0.600 368 P HA 0.144 nan 4.420 nan 0.000 0.288 368 P C -1.202 176.232 177.300 0.224 0.000 1.267 368 P CA -0.286 62.911 63.100 0.163 0.000 0.815 368 P CB 0.523 32.298 31.700 0.125 0.000 0.989 369 Y N 4.688 125.012 120.300 0.040 0.000 2.336 369 Y HA 0.356 5.000 4.550 0.156 0.000 0.335 369 Y C -2.257 173.659 175.900 0.027 0.000 1.046 369 Y CA -3.080 55.029 58.100 0.015 0.000 1.198 369 Y CB 0.556 39.028 38.460 0.020 0.000 1.182 369 Y HN 0.267 nan 8.280 nan 0.000 0.502 370 P HA 0.288 nan 4.420 nan 0.000 0.262 370 P C -0.822 176.193 177.300 -0.475 0.000 1.620 370 P CA 0.216 63.160 63.100 -0.260 0.000 1.089 370 P CB -0.160 31.507 31.700 -0.054 0.000 1.601 371 I N 3.450 123.765 120.570 -0.425 0.000 2.287 371 I HA 0.221 4.485 4.170 0.156 0.000 0.290 371 I C 0.525 176.512 176.117 -0.216 0.000 1.069 371 I CA -0.354 60.670 61.300 -0.461 0.000 1.237 371 I CB 0.447 38.038 38.000 -0.682 0.000 1.418 371 I HN 0.032 nan 8.210 nan 0.000 0.481 372 K N 6.365 126.650 120.400 -0.192 0.000 2.356 372 K HA 0.320 4.734 4.320 0.156 0.000 0.243 372 K C -0.108 176.429 176.600 -0.105 0.000 1.072 372 K CA -0.373 55.858 56.287 -0.094 0.000 1.014 372 K CB 1.596 34.047 32.500 -0.082 0.000 1.523 372 K HN 0.530 nan 8.250 nan 0.000 0.455 373 V N 1.454 121.317 119.914 -0.085 0.000 3.264 373 V HA 0.218 4.432 4.120 0.156 0.000 0.304 373 V C -0.508 175.573 176.094 -0.021 0.000 1.086 373 V CA 0.052 62.302 62.300 -0.082 0.000 1.090 373 V CB 1.431 33.196 31.823 -0.096 0.000 1.112 373 V HN 0.873 nan 8.190 nan 0.000 0.472 374 Q N 2.557 122.354 119.800 -0.006 0.000 2.605 374 Q HA 0.427 4.861 4.340 0.156 0.000 0.228 374 Q C -2.024 173.996 176.000 0.034 0.000 0.805 374 Q CA -0.574 55.235 55.803 0.011 0.000 0.894 374 Q CB 1.762 30.503 28.738 0.006 0.000 1.469 374 Q HN 0.776 nan 8.270 nan 0.000 0.445 375 V N 3.655 123.598 119.914 0.047 0.000 2.775 375 V HA 0.458 4.671 4.120 0.156 0.000 0.299 375 V C -0.050 176.110 176.094 0.109 0.000 1.062 375 V CA 0.263 62.619 62.300 0.094 0.000 1.063 375 V CB 1.500 33.389 31.823 0.110 0.000 0.994 375 V HN 0.760 nan 8.190 nan 0.000 0.483 376 K N 2.115 122.592 120.400 0.128 0.000 2.469 376 K HA 0.486 4.900 4.320 0.156 0.000 0.268 376 K C -1.369 175.242 176.600 0.017 0.000 1.027 376 K CA -0.944 55.382 56.287 0.066 0.000 0.893 376 K CB 1.842 34.365 32.500 0.037 0.000 1.460 376 K HN 0.800 nan 8.250 nan 0.000 0.449 377 D N -0.931 119.415 120.400 -0.091 0.000 2.494 377 D HA 0.103 4.837 4.640 0.156 0.000 0.259 377 D C 0.383 176.563 176.300 -0.200 0.000 1.109 377 D CA -0.605 53.252 54.000 -0.239 0.000 1.040 377 D CB 1.064 41.702 40.800 -0.270 0.000 1.175 377 D HN 0.430 nan 8.370 nan 0.000 0.584 378 S N -0.710 114.793 115.700 -0.328 0.000 2.528 378 S HA -0.114 4.450 4.470 0.156 0.000 0.244 378 S C 1.572 176.013 174.600 -0.266 0.000 0.982 378 S CA 0.564 58.519 58.200 -0.408 0.000 0.953 378 S CB -0.375 62.262 63.200 -0.940 0.000 0.754 378 S HN 0.476 nan 8.310 nan 0.000 0.529 379 L N 0.774 121.895 121.223 -0.170 0.000 2.906 379 L HA 0.235 4.669 4.340 0.156 0.000 0.255 379 L C -0.470 176.409 176.870 0.015 0.000 1.166 379 L CA 0.000 54.834 54.840 -0.011 0.000 0.977 379 L CB 0.156 42.203 42.059 -0.019 0.000 1.313 379 L HN 0.058 nan 8.230 nan 0.000 0.549 380 D N 1.177 121.573 120.400 -0.007 0.000 2.716 380 D HA -0.179 4.554 4.640 0.156 0.000 0.239 380 D C 0.060 176.367 176.300 0.011 0.000 1.125 380 D CA 0.843 54.851 54.000 0.014 0.000 0.681 380 D CB -0.560 40.264 40.800 0.040 0.000 1.070 380 D HN 0.413 nan 8.370 nan 0.000 0.432 381 Q N -0.510 119.286 119.800 -0.006 0.000 2.297 381 Q HA 0.682 5.116 4.340 0.156 0.000 0.269 381 Q C 0.573 176.574 176.000 0.002 0.000 1.051 381 Q CA -0.704 55.098 55.803 -0.001 0.000 0.869 381 Q CB 1.731 30.464 28.738 -0.009 0.000 1.346 381 Q HN 0.187 nan 8.270 nan 0.000 0.457 382 L N 1.050 122.280 121.223 0.011 0.000 2.439 382 L HA 0.362 4.796 4.340 0.156 0.000 0.269 382 L C -0.482 176.401 176.870 0.022 0.000 1.179 382 L CA -0.420 54.432 54.840 0.020 0.000 0.828 382 L CB 0.739 42.808 42.059 0.017 0.000 1.106 382 L HN 0.396 nan 8.230 nan 0.000 0.467 383 V N 2.663 122.605 119.914 0.048 0.000 2.524 383 V HA 0.733 4.947 4.120 0.156 0.000 0.297 383 V C -0.033 176.107 176.094 0.078 0.000 1.035 383 V CA -0.169 62.170 62.300 0.065 0.000 0.867 383 V CB 1.410 33.290 31.823 0.095 0.000 1.004 383 V HN 0.744 nan 8.190 nan 0.000 0.426 384 G N 3.627 112.453 108.800 0.043 0.000 2.477 384 G HA2 0.610 4.664 3.960 0.156 0.000 0.304 384 G HA3 0.610 4.664 3.960 0.156 0.000 0.304 384 G C 0.727 175.640 174.900 0.021 0.000 1.175 384 G CA -0.317 44.795 45.100 0.021 0.000 0.907 384 G HN 2.314 nan 8.290 nan 0.000 0.509 385 G N -1.787 107.009 108.800 -0.006 0.000 2.303 385 G HA2 0.123 4.177 3.960 0.156 0.000 0.260 385 G HA3 0.123 4.177 3.960 0.156 0.000 0.260 385 G C -0.234 174.652 174.900 -0.023 0.000 1.106 385 G CA 0.089 45.179 45.100 -0.016 0.000 0.900 385 G HN 1.560 nan 8.290 nan 0.000 0.495 386 V N -1.178 118.709 119.914 -0.046 0.000 2.760 386 V HA 0.718 4.932 4.120 0.156 0.000 0.309 386 V C -2.101 173.930 176.094 -0.104 0.000 1.077 386 V CA -2.304 59.939 62.300 -0.095 0.000 0.910 386 V CB 2.424 34.156 31.823 -0.151 0.000 1.008 386 V HN 0.149 nan 8.190 nan 0.000 0.424 387 P HA 0.311 nan 4.420 nan 0.000 0.272 387 P C -0.498 176.761 177.300 -0.068 0.000 1.223 387 P CA -0.089 62.960 63.100 -0.086 0.000 0.784 387 P CB 1.052 32.702 31.700 -0.084 0.000 0.923 388 V N 1.113 121.027 119.914 0.001 0.000 3.317 388 V HA 0.066 4.280 4.120 0.156 0.000 0.363 388 V C -0.078 176.123 176.094 0.179 0.000 1.205 388 V CA -0.495 61.854 62.300 0.083 0.000 1.598 388 V CB 0.371 32.300 31.823 0.177 0.000 0.958 388 V HN 0.545 nan 8.190 nan 0.000 0.534 389 T N 1.735 116.329 114.554 0.067 0.000 2.829 389 T HA 0.309 4.752 4.350 0.156 0.000 0.293 389 T C -0.125 174.567 174.700 -0.013 0.000 0.970 389 T CA 0.122 62.259 62.100 0.062 0.000 1.168 389 T CB 1.290 70.166 68.868 0.013 0.000 0.911 389 T HN 0.248 nan 8.240 nan 0.000 0.535 390 L N 3.902 125.102 121.223 -0.038 0.000 2.504 390 L HA 0.421 4.855 4.340 0.156 0.000 0.249 390 L C -0.626 176.170 176.870 -0.123 0.000 1.120 390 L CA -0.734 53.945 54.840 -0.268 0.000 0.997 390 L CB -0.576 41.008 42.059 -0.792 0.000 1.349 390 L HN 0.443 nan 8.230 nan 0.000 0.439 391 N N 2.641 121.312 118.700 -0.049 0.000 2.513 391 N HA 0.633 5.467 4.740 0.156 0.000 0.268 391 N C -0.092 175.444 175.510 0.044 0.000 1.180 391 N CA 0.381 53.432 53.050 0.002 0.000 0.948 391 N CB 1.281 39.775 38.487 0.012 0.000 1.083 391 N HN 0.656 nan 8.380 nan 0.000 0.455 392 A N 1.230 124.088 122.820 0.064 0.000 2.437 392 A HA 0.784 5.197 4.320 0.156 0.000 0.288 392 A C -1.145 176.489 177.584 0.084 0.000 1.201 392 A CA -0.501 51.614 52.037 0.130 0.000 0.795 392 A CB 1.844 20.939 19.000 0.158 0.000 1.359 392 A HN 0.504 nan 8.150 nan 0.000 0.435 393 Q N -0.340 119.508 119.800 0.080 0.000 2.479 393 Q HA 0.589 5.023 4.340 0.156 0.000 0.276 393 Q C -1.780 174.235 176.000 0.026 0.000 0.989 393 Q CA -0.220 55.607 55.803 0.040 0.000 0.864 393 Q CB 2.335 31.086 28.738 0.022 0.000 1.444 393 Q HN 0.865 nan 8.270 nan 0.000 0.388 394 T N 1.680 116.244 114.554 0.016 0.000 2.792 394 T HA 0.740 5.184 4.350 0.156 0.000 0.303 394 T C -1.471 173.229 174.700 0.000 0.000 1.310 394 T CA -0.382 61.720 62.100 0.004 0.000 1.007 394 T CB 1.282 70.158 68.868 0.014 0.000 1.335 394 T HN 0.576 nan 8.240 nan 0.000 0.504 395 I N -0.698 119.868 120.570 -0.006 0.000 2.802 395 I HA 0.748 5.012 4.170 0.156 0.000 0.298 395 I C -0.787 175.328 176.117 -0.003 0.000 1.176 395 I CA -0.784 60.514 61.300 -0.004 0.000 1.025 395 I CB 1.952 39.947 38.000 -0.008 0.000 1.243 395 I HN 0.351 nan 8.210 nan 0.000 0.424 396 D N 2.577 122.978 120.400 0.002 0.000 2.371 396 D HA 0.095 4.829 4.640 0.156 0.000 0.242 396 D C 0.967 177.268 176.300 0.003 0.000 1.218 396 D CA -0.115 53.888 54.000 0.005 0.000 0.945 396 D CB 1.950 42.755 40.800 0.009 0.000 1.137 396 D HN 0.504 nan 8.370 nan 0.000 0.464 397 V N 2.136 122.054 119.914 0.006 0.000 2.594 397 V HA -0.190 4.024 4.120 0.156 0.000 0.253 397 V C 1.528 177.628 176.094 0.010 0.000 1.069 397 V CA 1.436 63.740 62.300 0.008 0.000 1.082 397 V CB -0.549 31.282 31.823 0.014 0.000 0.680 397 V HN 0.448 nan 8.190 nan 0.000 0.469 398 N N 0.944 119.651 118.700 0.011 0.000 2.627 398 N HA -0.067 4.767 4.740 0.156 0.000 0.196 398 N C 0.658 176.172 175.510 0.008 0.000 1.268 398 N CA 0.245 53.302 53.050 0.011 0.000 0.904 398 N CB -0.332 38.163 38.487 0.012 0.000 1.016 398 N HN 0.476 nan 8.380 nan 0.000 0.448 399 Q N -0.441 119.363 119.800 0.005 0.000 2.416 399 Q HA -0.256 4.177 4.340 0.156 0.000 0.319 399 Q C -0.685 175.317 176.000 0.003 0.000 1.318 399 Q CA 0.901 56.705 55.803 0.003 0.000 0.915 399 Q CB -1.814 26.926 28.738 0.003 0.000 1.184 399 Q HN 0.625 nan 8.270 nan 0.000 0.444 400 E N 0.147 120.350 120.200 0.005 0.000 2.171 400 E HA 0.397 4.841 4.350 0.156 0.000 0.271 400 E C 0.155 176.758 176.600 0.005 0.000 0.916 400 E CA -0.122 56.282 56.400 0.005 0.000 0.774 400 E CB 1.052 30.756 29.700 0.008 0.000 1.128 400 E HN 0.281 nan 8.360 nan 0.000 0.403 401 T N 0.334 114.890 114.554 0.004 0.000 2.824 401 T HA 0.581 5.025 4.350 0.156 0.000 0.277 401 T C -0.174 174.531 174.700 0.008 0.000 0.975 401 T CA -0.647 61.456 62.100 0.004 0.000 0.966 401 T CB 1.222 70.091 68.868 0.003 0.000 1.054 401 T HN 0.363 nan 8.240 nan 0.000 0.533 402 S N 0.013 115.719 115.700 0.010 0.000 2.652 402 S HA 0.339 4.903 4.470 0.156 0.000 0.273 402 S C -1.818 172.793 174.600 0.018 0.000 1.172 402 S CA -1.023 57.185 58.200 0.015 0.000 1.009 402 S CB 1.256 64.466 63.200 0.018 0.000 1.094 402 S HN 0.696 nan 8.310 nan 0.000 0.471 403 D N 3.314 123.724 120.400 0.017 0.000 2.380 403 D HA 0.375 5.109 4.640 0.156 0.000 0.230 403 D C 0.629 176.943 176.300 0.023 0.000 1.154 403 D CA -0.143 53.868 54.000 0.019 0.000 0.859 403 D CB 0.923 41.731 40.800 0.014 0.000 1.045 403 D HN 0.529 nan 8.370 nan 0.000 0.495 404 L N 1.515 122.756 121.223 0.030 0.000 2.416 404 L HA 0.130 4.564 4.340 0.156 0.000 0.212 404 L C 0.629 177.515 176.870 0.026 0.000 1.200 404 L CA 0.031 54.890 54.840 0.032 0.000 0.841 404 L CB 0.433 42.518 42.059 0.044 0.000 1.299 404 L HN 0.237 nan 8.230 nan 0.000 0.538 405 D N -0.601 119.816 120.400 0.028 0.000 2.498 405 D HA 0.325 5.058 4.640 0.156 0.000 0.247 405 D C -2.321 173.996 176.300 0.028 0.000 1.070 405 D CA -1.140 52.874 54.000 0.024 0.000 0.842 405 D CB 1.680 42.492 40.800 0.021 0.000 1.361 405 D HN 0.163 nan 8.370 nan 0.000 0.484 406 P HA 0.141 nan 4.420 nan 0.000 0.269 406 P C -0.570 176.759 177.300 0.049 0.000 1.252 406 P CA 0.011 63.129 63.100 0.029 0.000 0.780 406 P CB 0.513 32.224 31.700 0.018 0.000 0.829 407 S N 2.771 118.525 115.700 0.091 0.000 2.646 407 S HA 0.516 5.080 4.470 0.156 0.000 0.276 407 S C -0.093 174.628 174.600 0.202 0.000 1.222 407 S CA -0.626 57.661 58.200 0.145 0.000 1.014 407 S CB 1.048 64.395 63.200 0.245 0.000 0.991 407 S HN 0.413 nan 8.310 nan 0.000 0.533 408 K N 1.019 121.472 120.400 0.088 0.000 2.581 408 K HA 0.482 4.896 4.320 0.156 0.000 0.249 408 K C -0.747 175.758 176.600 -0.159 0.000 0.966 408 K CA -0.320 55.990 56.287 0.039 0.000 0.811 408 K CB 1.647 34.149 32.500 0.002 0.000 1.223 408 K HN 0.574 nan 8.250 nan 0.000 0.438 409 S N 2.369 117.878 115.700 -0.319 0.000 2.753 409 S HA 0.751 5.315 4.470 0.156 0.000 0.302 409 S C -1.098 173.376 174.600 -0.210 0.000 1.104 409 S CA -0.559 57.398 58.200 -0.404 0.000 0.968 409 S CB 1.379 64.137 63.200 -0.736 0.000 1.278 409 S HN 0.347 nan 8.310 nan 0.000 0.549 410 V N 1.053 120.852 119.914 -0.191 0.000 2.971 410 V HA 0.451 4.665 4.120 0.156 0.000 0.309 410 V C -0.011 176.016 176.094 -0.111 0.000 1.130 410 V CA -0.846 61.383 62.300 -0.120 0.000 0.964 410 V CB 1.673 33.438 31.823 -0.097 0.000 1.029 410 V HN 0.982 nan 8.190 nan 0.000 0.427 411 T N 3.684 118.193 114.554 -0.074 0.000 2.888 411 T HA 0.233 4.677 4.350 0.156 0.000 0.301 411 T C 0.366 175.034 174.700 -0.054 0.000 1.001 411 T CA -0.021 62.047 62.100 -0.054 0.000 1.147 411 T CB 0.127 68.980 68.868 -0.025 0.000 0.931 411 T HN 0.729 nan 8.240 nan 0.000 0.541 412 R N 2.949 123.412 120.500 -0.061 0.000 2.873 412 R HA 0.099 4.533 4.340 0.156 0.000 0.267 412 R C 1.162 177.439 176.300 -0.038 0.000 1.009 412 R CA 0.023 56.088 56.100 -0.058 0.000 1.152 412 R CB 0.178 30.437 30.300 -0.068 0.000 1.047 412 R HN 0.652 nan 8.270 nan 0.000 0.470 413 V N 1.270 121.161 119.914 -0.038 0.000 2.685 413 V HA -0.106 4.108 4.120 0.156 0.000 0.244 413 V C 1.485 177.566 176.094 -0.023 0.000 1.054 413 V CA 1.692 63.977 62.300 -0.026 0.000 1.076 413 V CB -0.464 31.342 31.823 -0.028 0.000 0.725 413 V HN 0.918 nan 8.190 nan 0.000 0.467 414 D N -0.836 119.545 120.400 -0.032 0.000 2.366 414 D HA -0.094 4.640 4.640 0.156 0.000 0.205 414 D C 1.434 177.717 176.300 -0.029 0.000 1.022 414 D CA 0.708 54.691 54.000 -0.029 0.000 0.868 414 D CB 0.391 41.168 40.800 -0.039 0.000 0.953 414 D HN 0.396 nan 8.370 nan 0.000 0.514 415 D N 0.332 120.710 120.400 -0.036 0.000 2.525 415 D HA 0.063 4.797 4.640 0.156 0.000 0.248 415 D C 1.817 178.104 176.300 -0.023 0.000 1.000 415 D CA 1.963 55.939 54.000 -0.039 0.000 0.923 415 D CB 0.477 41.241 40.800 -0.061 0.000 1.101 415 D HN 0.271 nan 8.370 nan 0.000 0.493 416 G N 0.561 109.351 108.800 -0.018 0.000 2.184 416 G HA2 -0.244 3.810 3.960 0.156 0.000 0.264 416 G HA3 -0.244 3.810 3.960 0.156 0.000 0.264 416 G C 0.268 175.164 174.900 -0.008 0.000 0.975 416 G CA 0.637 45.736 45.100 -0.002 0.000 0.642 416 G HN 0.358 nan 8.290 nan 0.000 0.536 417 V N 0.993 120.891 119.914 -0.027 0.000 2.407 417 V HA 0.693 4.907 4.120 0.156 0.000 0.278 417 V C 0.725 176.791 176.094 -0.046 0.000 1.037 417 V CA 0.037 62.317 62.300 -0.033 0.000 0.900 417 V CB 1.617 33.409 31.823 -0.051 0.000 0.983 417 V HN 1.052 nan 8.190 nan 0.000 0.459 418 A N 4.230 127.037 122.820 -0.021 0.000 2.736 418 A HA 0.547 4.961 4.320 0.156 0.000 0.335 418 A C 0.571 178.135 177.584 -0.033 0.000 1.446 418 A CA -0.395 51.614 52.037 -0.046 0.000 1.028 418 A CB -0.238 18.781 19.000 0.031 0.000 1.154 418 A HN 0.778 nan 8.150 nan 0.000 0.507 419 S N 1.398 117.023 115.700 -0.124 0.000 2.549 419 S HA 0.506 5.070 4.470 0.156 0.000 0.286 419 S C -0.389 174.082 174.600 -0.214 0.000 1.314 419 S CA 0.393 58.534 58.200 -0.099 0.000 1.062 419 S CB 0.118 63.240 63.200 -0.130 0.000 0.865 419 S HN 0.477 nan 8.310 nan 0.000 0.498 420 F N 0.328 120.172 119.950 -0.177 0.000 2.654 420 F HA 0.767 5.388 4.527 0.156 0.000 0.334 420 F C -0.129 175.573 175.800 -0.163 0.000 1.078 420 F CA -0.937 56.959 58.000 -0.173 0.000 0.986 420 F CB 1.853 40.716 39.000 -0.229 0.000 1.362 420 F HN 0.265 nan 8.300 nan 0.000 0.498 421 V N 2.136 122.115 119.914 0.108 0.000 2.775 421 V HA 0.349 4.563 4.120 0.156 0.000 0.295 421 V C -1.662 174.471 176.094 0.065 0.000 1.226 421 V CA -0.699 61.626 62.300 0.040 0.000 0.934 421 V CB 2.071 33.906 31.823 0.019 0.000 1.056 421 V HN 0.512 nan 8.190 nan 0.000 0.436 422 L N 4.434 125.700 121.223 0.073 0.000 2.322 422 L HA 0.663 5.097 4.340 0.156 0.000 0.281 422 L C 0.125 177.061 176.870 0.111 0.000 1.014 422 L CA -0.548 54.346 54.840 0.091 0.000 0.815 422 L CB 1.181 43.299 42.059 0.098 0.000 1.247 422 L HN 0.494 nan 8.230 nan 0.000 0.421 423 N N 4.308 123.060 118.700 0.087 0.000 2.434 423 N HA 0.489 5.323 4.740 0.156 0.000 0.272 423 N C -1.081 174.476 175.510 0.079 0.000 1.040 423 N CA -0.415 52.687 53.050 0.086 0.000 0.956 423 N CB 2.115 40.642 38.487 0.066 0.000 1.108 423 N HN 0.502 nan 8.380 nan 0.000 0.481 424 L N 2.760 124.030 121.223 0.079 0.000 2.313 424 L HA 0.353 4.787 4.340 0.156 0.000 0.283 424 L C -2.108 174.788 176.870 0.043 0.000 1.013 424 L CA -1.980 52.894 54.840 0.057 0.000 0.816 424 L CB 1.848 43.933 42.059 0.045 0.000 1.236 424 L HN 0.198 nan 8.230 nan 0.000 0.419 425 P HA -0.038 nan 4.420 nan 0.000 0.254 425 P C 1.063 178.381 177.300 0.030 0.000 1.467 425 P CA 0.136 63.257 63.100 0.035 0.000 1.281 425 P CB 0.078 31.796 31.700 0.030 0.000 1.754 426 S N 2.224 117.947 115.700 0.039 0.000 2.652 426 S HA -0.340 4.223 4.470 0.156 0.000 0.326 426 S C 2.029 176.641 174.600 0.019 0.000 1.305 426 S CA 1.939 60.162 58.200 0.038 0.000 1.109 426 S CB -2.008 61.239 63.200 0.078 0.000 1.096 426 S HN 0.475 nan 8.310 nan 0.000 0.449 427 G N 1.170 109.985 108.800 0.025 0.000 2.807 427 G HA2 0.288 4.342 3.960 0.156 0.000 0.207 427 G HA3 0.288 4.342 3.960 0.156 0.000 0.207 427 G C 0.467 175.368 174.900 0.002 0.000 1.151 427 G CA 0.389 45.500 45.100 0.018 0.000 0.800 427 G HN 0.605 nan 8.290 nan 0.000 0.523 428 V N 0.073 119.982 119.914 -0.009 0.000 3.766 428 V HA 0.487 4.700 4.120 0.156 0.000 0.286 428 V C 1.509 177.579 176.094 -0.039 0.000 1.055 428 V CA 1.431 63.718 62.300 -0.021 0.000 1.060 428 V CB 1.692 33.499 31.823 -0.027 0.000 1.210 428 V HN 0.546 nan 8.190 nan 0.000 0.457 429 T N -0.867 113.658 114.554 -0.048 0.000 3.498 429 T HA 0.250 4.694 4.350 0.156 0.000 0.159 429 T C -0.194 174.473 174.700 -0.054 0.000 0.832 429 T CA 0.413 62.488 62.100 -0.043 0.000 0.896 429 T CB 0.168 69.021 68.868 -0.026 0.000 1.098 429 T HN 0.622 nan 8.240 nan 0.000 0.281 430 V N 2.398 122.279 119.914 -0.055 0.000 2.715 430 V HA 0.732 4.946 4.120 0.156 0.000 0.310 430 V C -0.975 175.067 176.094 -0.087 0.000 1.054 430 V CA -0.942 61.313 62.300 -0.075 0.000 0.928 430 V CB 1.862 33.648 31.823 -0.061 0.000 1.007 430 V HN 0.654 nan 8.190 nan 0.000 0.437 431 L N 3.448 124.591 121.223 -0.133 0.000 2.406 431 L HA 0.584 5.018 4.340 0.156 0.000 0.270 431 L C -0.554 176.185 176.870 -0.219 0.000 0.982 431 L CA -0.315 54.456 54.840 -0.114 0.000 0.843 431 L CB 1.468 43.475 42.059 -0.087 0.000 1.225 431 L HN 0.692 nan 8.230 nan 0.000 0.412 432 E N 5.945 126.055 120.200 -0.149 0.000 2.231 432 E HA 0.482 4.926 4.350 0.156 0.000 0.277 432 E C -1.258 175.303 176.600 -0.066 0.000 0.999 432 E CA -0.395 55.885 56.400 -0.200 0.000 0.827 432 E CB 2.350 31.986 29.700 -0.107 0.000 1.101 432 E HN 0.505 nan 8.360 nan 0.000 0.393 433 F N -0.732 119.230 119.950 0.020 0.000 2.641 433 F HA 0.484 5.105 4.527 0.156 0.000 0.308 433 F C -0.762 175.043 175.800 0.009 0.000 1.105 433 F CA -1.289 56.710 58.000 -0.002 0.000 0.964 433 F CB 1.543 40.527 39.000 -0.027 0.000 1.294 433 F HN 0.075 nan 8.300 nan 0.000 0.442 434 N N 2.648 121.501 118.700 0.255 0.000 2.446 434 N HA 0.433 5.267 4.740 0.156 0.000 0.265 434 N C -0.994 174.539 175.510 0.037 0.000 0.975 434 N CA -0.500 52.642 53.050 0.152 0.000 0.928 434 N CB 2.890 41.418 38.487 0.068 0.000 1.160 434 N HN 0.358 nan 8.380 nan 0.000 0.495 435 V N 2.313 122.249 119.914 0.037 0.000 2.997 435 V HA 0.456 4.670 4.120 0.156 0.000 0.311 435 V C 0.001 176.082 176.094 -0.022 0.000 1.066 435 V CA -0.128 62.125 62.300 -0.078 0.000 1.039 435 V CB 1.260 33.025 31.823 -0.098 0.000 1.081 435 V HN 0.857 nan 8.190 nan 0.000 0.467 436 K N -0.171 120.206 120.400 -0.039 0.000 2.636 436 K HA 0.367 4.781 4.320 0.156 0.000 0.268 436 K C -0.780 175.787 176.600 -0.055 0.000 0.958 436 K CA -0.602 55.664 56.287 -0.034 0.000 0.875 436 K CB 0.625 33.106 32.500 -0.031 0.000 1.382 436 K HN 0.648 nan 8.250 nan 0.000 0.405 437 T N -0.669 113.829 114.554 -0.092 0.000 2.918 437 T HA 0.259 4.703 4.350 0.156 0.000 0.302 437 T C -0.206 174.415 174.700 -0.132 0.000 1.045 437 T CA -0.303 61.701 62.100 -0.159 0.000 1.114 437 T CB 0.770 69.451 68.868 -0.313 0.000 0.965 437 T HN 0.596 nan 8.240 nan 0.000 0.540 438 D N 0.937 121.260 120.400 -0.128 0.000 2.788 438 D HA 0.385 5.119 4.640 0.156 0.000 0.289 438 D C 0.722 176.956 176.300 -0.110 0.000 1.340 438 D CA -0.454 53.487 54.000 -0.099 0.000 0.831 438 D CB 0.023 40.785 40.800 -0.063 0.000 1.103 438 D HN 0.945 nan 8.370 nan 0.000 0.476 439 A N 1.409 124.130 122.820 -0.166 0.000 2.632 439 A HA 0.007 4.421 4.320 0.156 0.000 0.231 439 A C -1.391 176.151 177.584 -0.070 0.000 1.027 439 A CA -0.153 51.801 52.037 -0.137 0.000 0.759 439 A CB 0.347 19.254 19.000 -0.155 0.000 0.939 439 A HN 0.166 nan 8.150 nan 0.000 0.505 440 P HA 0.027 nan 4.420 nan 0.000 0.228 440 P C 0.411 177.705 177.300 -0.010 0.000 1.166 440 P CA 0.980 64.064 63.100 -0.027 0.000 0.812 440 P CB 0.147 31.836 31.700 -0.019 0.000 0.857 441 D N -0.626 119.781 120.400 0.011 0.000 2.348 441 D HA 0.001 4.735 4.640 0.156 0.000 0.211 441 D C 0.710 177.040 176.300 0.051 0.000 0.998 441 D CA 0.279 54.302 54.000 0.039 0.000 0.873 441 D CB -0.491 40.346 40.800 0.061 0.000 0.925 441 D HN 0.193 nan 8.370 nan 0.000 0.524 442 L N 0.949 122.180 121.223 0.013 0.000 2.357 442 L HA 0.353 4.786 4.340 0.156 0.000 0.273 442 L C -2.119 174.662 176.870 -0.148 0.000 1.080 442 L CA -2.117 52.696 54.840 -0.045 0.000 0.803 442 L CB 0.710 42.744 42.059 -0.041 0.000 1.174 442 L HN -0.330 nan 8.230 nan 0.000 0.443 443 P HA -0.062 nan 4.420 nan 0.000 0.265 443 P C 0.494 177.670 177.300 -0.208 0.000 1.187 443 P CA 0.029 62.966 63.100 -0.271 0.000 0.766 443 P CB 0.576 32.009 31.700 -0.445 0.000 0.820 444 E N 2.995 123.116 120.200 -0.133 0.000 2.035 444 E HA -0.289 4.154 4.350 0.156 0.000 0.204 444 E C 1.417 177.939 176.600 -0.130 0.000 1.025 444 E CA 1.913 58.249 56.400 -0.107 0.000 0.835 444 E CB -0.328 29.327 29.700 -0.076 0.000 0.764 444 E HN 0.490 nan 8.360 nan 0.000 0.457 445 E N -0.125 119.992 120.200 -0.138 0.000 2.246 445 E HA -0.264 4.180 4.350 0.156 0.000 0.232 445 E C 1.242 177.743 176.600 -0.165 0.000 1.087 445 E CA 2.068 58.382 56.400 -0.144 0.000 0.964 445 E CB -0.436 29.160 29.700 -0.172 0.000 0.827 445 E HN 0.366 nan 8.360 nan 0.000 0.476 446 N N 0.517 119.064 118.700 -0.255 0.000 2.346 446 N HA 0.016 4.850 4.740 0.156 0.000 0.225 446 N C -0.645 174.781 175.510 -0.140 0.000 1.144 446 N CA -0.166 52.733 53.050 -0.252 0.000 0.837 446 N CB 0.480 38.646 38.487 -0.534 0.000 1.069 446 N HN 0.064 nan 8.380 nan 0.000 0.487 447 Q N 1.194 120.930 119.800 -0.108 0.000 2.296 447 Q HA 0.333 4.767 4.340 0.156 0.000 0.257 447 Q C -0.195 175.783 176.000 -0.037 0.000 0.942 447 Q CA -0.375 55.386 55.803 -0.070 0.000 0.939 447 Q CB 1.570 30.257 28.738 -0.086 0.000 1.198 447 Q HN 0.294 nan 8.270 nan 0.000 0.429 448 A N 4.498 127.320 122.820 0.002 0.000 2.540 448 A HA 0.260 4.674 4.320 0.156 0.000 0.239 448 A C 0.421 178.006 177.584 0.002 0.000 1.061 448 A CA 0.267 52.319 52.037 0.024 0.000 0.758 448 A CB 0.214 19.265 19.000 0.085 0.000 0.991 448 A HN 0.844 nan 8.150 nan 0.000 0.502 449 R N 1.143 121.650 120.500 0.011 0.000 2.795 449 R HA 0.838 5.272 4.340 0.156 0.000 0.268 449 R C -1.331 174.989 176.300 0.032 0.000 1.041 449 R CA -0.928 55.182 56.100 0.016 0.000 0.927 449 R CB 1.255 31.555 30.300 -0.001 0.000 1.235 449 R HN 0.556 nan 8.270 nan 0.000 0.463 450 E N -0.830 119.406 120.200 0.061 0.000 2.435 450 E HA 0.586 5.030 4.350 0.156 0.000 0.272 450 E C -1.090 175.553 176.600 0.072 0.000 1.031 450 E CA -0.760 55.674 56.400 0.057 0.000 0.872 450 E CB 2.325 32.184 29.700 0.264 0.000 1.588 450 E HN 0.846 nan 8.360 nan 0.000 0.460 451 G N -0.466 108.291 108.800 -0.071 0.000 2.673 451 G HA2 0.644 4.698 3.960 0.156 0.000 0.292 451 G HA3 0.644 4.698 3.960 0.156 0.000 0.292 451 G C -1.795 172.957 174.900 -0.247 0.000 1.450 451 G CA -0.349 44.770 45.100 0.031 0.000 0.837 451 G HN 0.334 nan 8.290 nan 0.000 0.505 452 Y N -0.397 119.837 120.300 -0.110 0.000 3.200 452 Y HA 0.822 5.466 4.550 0.156 0.000 0.278 452 Y C 0.204 175.831 175.900 -0.455 0.000 1.960 452 Y CA -1.075 56.872 58.100 -0.255 0.000 1.048 452 Y CB 1.927 40.285 38.460 -0.170 0.000 1.768 452 Y HN 0.641 nan 8.280 nan 0.000 0.464 453 R N 0.517 120.818 120.500 -0.332 0.000 2.633 453 R HA 0.711 5.145 4.340 0.156 0.000 0.256 453 R C -2.201 173.887 176.300 -0.354 0.000 1.131 453 R CA -0.396 55.481 56.100 -0.373 0.000 0.994 453 R CB 1.601 31.773 30.300 -0.213 0.000 1.261 453 R HN 0.796 nan 8.270 nan 0.000 0.446 454 A N 4.661 127.268 122.820 -0.355 0.000 2.384 454 A HA 0.879 5.293 4.320 0.156 0.000 0.312 454 A C -0.993 176.457 177.584 -0.223 0.000 1.113 454 A CA -0.711 51.118 52.037 -0.347 0.000 0.779 454 A CB 1.284 19.996 19.000 -0.479 0.000 1.307 454 A HN 0.584 nan 8.150 nan 0.000 0.436 455 I N 0.241 120.747 120.570 -0.106 0.000 2.752 455 I HA 0.483 4.747 4.170 0.156 0.000 0.295 455 I C 0.243 176.413 176.117 0.089 0.000 1.219 455 I CA -0.749 60.575 61.300 0.039 0.000 1.030 455 I CB 2.268 40.362 38.000 0.158 0.000 1.259 455 I HN 0.765 nan 8.210 nan 0.000 0.423 456 A N 5.143 127.960 122.820 -0.004 0.000 2.395 456 A HA 0.096 4.510 4.320 0.156 0.000 0.286 456 A C -0.208 177.384 177.584 0.012 0.000 1.193 456 A CA 0.047 52.054 52.037 -0.050 0.000 0.852 456 A CB -0.408 18.525 19.000 -0.112 0.000 1.118 456 A HN 0.794 nan 8.150 nan 0.000 0.524 457 Y N 4.421 124.627 120.300 -0.157 0.000 2.644 457 Y HA 0.020 4.664 4.550 0.157 0.000 0.356 457 Y C 0.171 176.007 175.900 -0.106 0.000 1.302 457 Y CA -0.343 57.670 58.100 -0.145 0.000 1.885 457 Y CB -0.375 38.023 38.460 -0.103 0.000 1.597 457 Y HN 0.677 nan 8.280 nan 0.000 0.433 458 S N 3.748 119.600 115.700 0.253 0.000 2.560 458 S HA 0.167 4.731 4.470 0.156 0.000 0.284 458 S C -0.136 174.675 174.600 0.351 0.000 1.327 458 S CA -0.309 58.011 58.200 0.200 0.000 1.055 458 S CB 1.382 64.642 63.200 0.100 0.000 0.868 458 S HN 0.630 nan 8.310 nan 0.000 0.506 459 S N 1.372 117.241 115.700 0.281 0.000 2.590 459 S HA 0.250 4.814 4.470 0.156 0.000 0.286 459 S C 0.105 174.773 174.600 0.113 0.000 1.147 459 S CA -0.672 57.667 58.200 0.232 0.000 0.963 459 S CB 0.666 63.991 63.200 0.208 0.000 1.124 459 S HN 0.552 nan 8.310 nan 0.000 0.458 460 L N 4.354 125.607 121.223 0.050 0.000 2.141 460 L HA 0.153 4.587 4.340 0.156 0.000 0.209 460 L C 2.156 178.971 176.870 -0.092 0.000 1.094 460 L CA 1.741 56.579 54.840 -0.003 0.000 0.763 460 L CB -0.324 41.733 42.059 -0.004 0.000 0.908 460 L HN 0.704 nan 8.230 nan 0.000 0.437 461 S N -0.458 115.149 115.700 -0.155 0.000 2.641 461 S HA -0.136 4.428 4.470 0.156 0.000 0.239 461 S C 0.986 175.333 174.600 -0.422 0.000 0.972 461 S CA 0.296 58.296 58.200 -0.334 0.000 0.954 461 S CB -0.265 62.734 63.200 -0.335 0.000 0.767 461 S HN 0.490 nan 8.310 nan 0.000 0.539 462 Q N -0.242 119.387 119.800 -0.284 0.000 2.284 462 Q HA -0.187 4.246 4.340 0.156 0.000 0.205 462 Q C 0.348 175.812 176.000 -0.894 0.000 0.682 462 Q CA 1.073 56.661 55.803 -0.358 0.000 1.401 462 Q CB -2.039 26.558 28.738 -0.235 0.000 1.643 462 Q HN 0.602 nan 8.270 nan 0.000 0.717 463 S N 0.141 115.428 115.700 -0.688 0.000 2.523 463 S HA 0.522 5.086 4.470 0.156 0.000 0.275 463 S C -0.475 173.717 174.600 -0.680 0.000 1.281 463 S CA -0.425 57.413 58.200 -0.603 0.000 1.050 463 S CB 0.384 63.433 63.200 -0.251 0.000 0.937 463 S HN 0.198 nan 8.310 nan 0.000 0.492 464 Y N 2.583 122.846 120.300 -0.061 0.000 2.857 464 Y HA 0.839 5.482 4.550 0.156 0.000 0.318 464 Y C -0.368 175.554 175.900 0.037 0.000 1.313 464 Y CA -1.404 56.570 58.100 -0.211 0.000 1.117 464 Y CB 0.586 38.926 38.460 -0.199 0.000 1.344 464 Y HN 0.635 nan 8.280 nan 0.000 0.525 465 L N 0.228 121.598 121.223 0.245 0.000 2.582 465 L HA 0.600 5.034 4.340 0.156 0.000 0.257 465 L C -2.298 174.756 176.870 0.307 0.000 0.974 465 L CA -0.678 54.309 54.840 0.245 0.000 0.851 465 L CB 2.510 44.753 42.059 0.306 0.000 1.424 465 L HN 0.571 nan 8.230 nan 0.000 0.412 466 Y N 4.515 124.877 120.300 0.102 0.000 2.401 466 Y HA 0.653 5.297 4.550 0.156 0.000 0.330 466 Y C -1.475 174.455 175.900 0.050 0.000 1.071 466 Y CA -1.886 56.274 58.100 0.100 0.000 1.049 466 Y CB 1.523 40.041 38.460 0.098 0.000 1.239 466 Y HN 0.589 nan 8.280 nan 0.000 0.437 467 I N 3.099 123.921 120.570 0.420 0.000 2.569 467 I HA 0.814 5.078 4.170 0.156 0.000 0.296 467 I C -1.295 174.863 176.117 0.069 0.000 1.028 467 I CA -0.387 60.937 61.300 0.040 0.000 1.082 467 I CB 2.439 40.442 38.000 0.004 0.000 1.264 467 I HN 0.495 nan 8.210 nan 0.000 0.429 468 D N 3.823 124.174 120.400 -0.081 0.000 2.837 468 D HA 0.737 5.470 4.640 0.156 0.000 0.294 468 D C -1.880 174.663 176.300 0.405 0.000 1.158 468 D CA -0.126 54.010 54.000 0.227 0.000 1.073 468 D CB 1.836 42.591 40.800 -0.075 0.000 1.419 468 D HN 0.852 nan 8.370 nan 0.000 0.584 469 W N -1.444 119.791 121.300 -0.108 0.000 3.138 469 W HA 0.536 5.290 4.660 0.157 0.000 0.332 469 W C -2.138 174.339 176.519 -0.071 0.000 1.090 469 W CA -0.832 56.456 57.345 -0.094 0.000 1.091 469 W CB 0.529 29.943 29.460 -0.078 0.000 1.445 469 W HN 0.303 nan 8.180 nan 0.000 0.559 470 T N 1.885 116.311 114.554 -0.214 0.000 2.916 470 T HA 0.460 4.904 4.350 0.156 0.000 0.298 470 T C -2.040 172.471 174.700 -0.315 0.000 1.031 470 T CA -0.409 61.439 62.100 -0.420 0.000 0.993 470 T CB 1.907 70.612 68.868 -0.272 0.000 1.045 470 T HN 0.538 nan 8.240 nan 0.000 0.454 471 D N 0.658 120.824 120.400 -0.390 0.000 2.934 471 D HA 0.361 5.094 4.640 0.156 0.000 0.230 471 D C 0.679 176.820 176.300 -0.266 0.000 1.204 471 D CA -0.646 53.229 54.000 -0.208 0.000 0.873 471 D CB 1.256 42.017 40.800 -0.064 0.000 1.645 471 D HN 0.373 nan 8.370 nan 0.000 0.502 472 N N 1.233 119.714 118.700 -0.364 0.000 2.494 472 N HA -0.035 4.799 4.740 0.156 0.000 0.182 472 N C -0.334 174.923 175.510 -0.421 0.000 1.076 472 N CA 0.688 53.481 53.050 -0.429 0.000 0.908 472 N CB -0.400 37.821 38.487 -0.443 0.000 0.967 472 N HN 0.411 nan 8.380 nan 0.000 0.449 473 H N -0.220 118.808 119.070 -0.070 0.000 2.463 473 H HA 0.349 4.999 4.556 0.157 0.000 0.332 473 H C 0.918 176.224 175.328 -0.037 0.000 1.127 473 H CA -0.995 55.026 56.048 -0.045 0.000 1.238 473 H CB 1.304 31.047 29.762 -0.031 0.000 1.478 473 H HN 0.106 nan 8.280 nan 0.000 0.499 474 K N 0.867 121.326 120.400 0.098 0.000 2.515 474 K HA 0.256 4.670 4.320 0.156 0.000 0.196 474 K C 0.197 176.845 176.600 0.079 0.000 1.038 474 K CA 0.825 57.151 56.287 0.065 0.000 0.967 474 K CB 0.388 32.921 32.500 0.055 0.000 0.780 474 K HN 0.467 nan 8.250 nan 0.000 0.483 475 A N 1.131 123.999 122.820 0.079 0.000 2.594 475 A HA 0.627 5.041 4.320 0.156 0.000 0.291 475 A C -1.390 176.214 177.584 0.034 0.000 1.105 475 A CA -1.092 50.971 52.037 0.045 0.000 0.694 475 A CB 1.244 20.248 19.000 0.006 0.000 1.291 475 A HN 0.203 nan 8.150 nan 0.000 0.410 476 L N 2.077 123.304 121.223 0.006 0.000 2.457 476 L HA 0.374 4.807 4.340 0.156 0.000 0.252 476 L C -0.555 176.283 176.870 -0.053 0.000 1.132 476 L CA -0.463 54.378 54.840 0.001 0.000 0.938 476 L CB 0.170 42.261 42.059 0.053 0.000 1.246 476 L HN 0.630 nan 8.230 nan 0.000 0.476 477 L N 0.989 122.165 121.223 -0.079 0.000 2.621 477 L HA -0.095 4.339 4.340 0.156 0.000 0.313 477 L C 0.725 177.545 176.870 -0.083 0.000 1.277 477 L CA 0.108 54.896 54.840 -0.086 0.000 0.857 477 L CB 0.184 42.180 42.059 -0.105 0.000 1.093 477 L HN 0.291 nan 8.230 nan 0.000 0.527 478 V N 2.000 121.868 119.914 -0.076 0.000 2.614 478 V HA 0.504 4.718 4.120 0.156 0.000 0.291 478 V C 1.013 177.057 176.094 -0.084 0.000 1.049 478 V CA 1.234 63.486 62.300 -0.081 0.000 1.038 478 V CB 0.697 32.486 31.823 -0.056 0.000 0.980 478 V HN 1.037 nan 8.190 nan 0.000 0.481 479 G N 4.094 112.821 108.800 -0.121 0.000 2.349 479 G HA2 -0.195 3.859 3.960 0.156 0.000 0.213 479 G HA3 -0.195 3.859 3.960 0.156 0.000 0.213 479 G C 0.443 175.251 174.900 -0.153 0.000 1.044 479 G CA 0.276 45.306 45.100 -0.117 0.000 0.633 479 G HN 0.721 nan 8.290 nan 0.000 0.506 480 E N 0.210 120.342 120.200 -0.113 0.000 2.821 480 E HA 0.267 4.711 4.350 0.156 0.000 0.293 480 E C -0.033 176.460 176.600 -0.178 0.000 1.464 480 E CA 0.490 56.857 56.400 -0.055 0.000 1.387 480 E CB 0.094 29.772 29.700 -0.036 0.000 0.942 480 E HN 0.546 nan 8.360 nan 0.000 0.584 481 H N -0.428 118.629 119.070 -0.022 0.000 2.954 481 H HA 0.269 4.919 4.556 0.157 0.000 0.361 481 H C -1.117 174.201 175.328 -0.017 0.000 1.122 481 H CA -0.596 55.432 56.048 -0.034 0.000 1.217 481 H CB 1.124 30.866 29.762 -0.034 0.000 1.776 481 H HN 0.237 nan 8.280 nan 0.000 0.533 482 L N 3.326 124.579 121.223 0.050 0.000 2.259 482 L HA 0.191 4.625 4.340 0.156 0.000 0.288 482 L C -0.104 176.782 176.870 0.026 0.000 1.051 482 L CA -0.497 54.367 54.840 0.039 0.000 0.824 482 L CB 0.110 42.132 42.059 -0.062 0.000 1.206 482 L HN 0.444 nan 8.230 nan 0.000 0.429 483 N N 5.564 124.307 118.700 0.072 0.000 2.406 483 N HA 0.298 5.131 4.740 0.156 0.000 0.251 483 N C -0.933 174.618 175.510 0.069 0.000 1.069 483 N CA -0.182 52.889 53.050 0.035 0.000 0.947 483 N CB 0.739 39.243 38.487 0.028 0.000 1.111 483 N HN 0.539 nan 8.380 nan 0.000 0.497 484 I N 3.590 124.150 120.570 -0.018 0.000 2.433 484 I HA 0.464 4.728 4.170 0.156 0.000 0.292 484 I C -1.110 174.949 176.117 -0.097 0.000 1.001 484 I CA -0.942 60.339 61.300 -0.030 0.000 1.119 484 I CB 0.990 38.907 38.000 -0.140 0.000 1.289 484 I HN 0.331 nan 8.210 nan 0.000 0.438 485 I N 7.460 127.970 120.570 -0.101 0.000 2.365 485 I HA 0.211 4.475 4.170 0.156 0.000 0.291 485 I C -0.077 175.912 176.117 -0.213 0.000 1.004 485 I CA -0.207 60.997 61.300 -0.160 0.000 1.311 485 I CB 1.682 39.545 38.000 -0.229 0.000 1.401 485 I HN 0.300 nan 8.210 nan 0.000 0.491 486 V N 5.425 125.203 119.914 -0.226 0.000 2.225 486 V HA 0.189 4.403 4.120 0.156 0.000 0.264 486 V C 0.072 176.047 176.094 -0.199 0.000 1.067 486 V CA -0.631 61.492 62.300 -0.295 0.000 0.903 486 V CB 0.494 31.960 31.823 -0.594 0.000 1.136 486 V HN 0.837 nan 8.190 nan 0.000 0.456 487 T N 1.246 115.721 114.554 -0.131 0.000 2.863 487 T HA 0.317 4.761 4.350 0.156 0.000 0.299 487 T C -1.828 172.891 174.700 0.032 0.000 0.973 487 T CA -1.808 60.282 62.100 -0.016 0.000 0.994 487 T CB 1.257 70.070 68.868 -0.092 0.000 0.961 487 T HN 0.282 nan 8.240 nan 0.000 0.552 488 P HA 0.067 nan 4.420 nan 0.000 0.242 488 P C 0.432 177.760 177.300 0.046 0.000 1.197 488 P CA -0.092 62.977 63.100 -0.052 0.000 0.765 488 P CB -0.030 31.563 31.700 -0.177 0.000 0.936 489 K N 0.725 121.187 120.400 0.104 0.000 2.486 489 K HA -0.230 4.184 4.320 0.156 0.000 0.257 489 K C 0.385 177.056 176.600 0.118 0.000 1.024 489 K CA 1.256 57.620 56.287 0.127 0.000 1.122 489 K CB -0.214 32.379 32.500 0.155 0.000 0.758 489 K HN 0.059 nan 8.250 nan 0.000 0.461 490 S N 0.524 116.275 115.700 0.086 0.000 1.289 490 S HA -0.125 4.439 4.470 0.156 0.000 0.253 490 S C -2.513 172.066 174.600 -0.034 0.000 0.595 490 S CA 0.238 58.457 58.200 0.032 0.000 1.069 490 S CB -1.901 61.333 63.200 0.056 0.000 0.855 490 S HN 0.808 nan 8.310 nan 0.000 0.490 491 P HA -0.111 nan 4.420 nan 0.000 0.258 491 P C 1.200 178.606 177.300 0.176 0.000 1.128 491 P CA 1.234 64.316 63.100 -0.030 0.000 0.760 491 P CB -0.554 31.220 31.700 0.123 0.000 0.715 492 Y N 2.829 123.087 120.300 -0.071 0.000 2.271 492 Y HA -0.149 4.495 4.550 0.157 0.000 0.284 492 Y C 0.729 176.621 175.900 -0.012 0.000 1.189 492 Y CA 0.322 58.401 58.100 -0.035 0.000 1.229 492 Y CB -0.151 38.290 38.460 -0.032 0.000 0.973 492 Y HN 0.177 nan 8.280 nan 0.000 0.537 493 I N 0.975 121.847 120.570 0.502 0.000 3.191 493 I HA 0.047 4.311 4.170 0.156 0.000 0.313 493 I C -0.533 175.675 176.117 0.153 0.000 1.193 493 I CA -0.817 60.546 61.300 0.104 0.000 0.968 493 I CB 2.172 40.024 38.000 -0.248 0.000 1.262 493 I HN 0.043 nan 8.210 nan 0.000 0.456 494 D N 1.872 122.315 120.400 0.072 0.000 2.424 494 D HA 0.020 4.754 4.640 0.156 0.000 0.220 494 D C 0.387 176.719 176.300 0.053 0.000 1.150 494 D CA -0.177 53.867 54.000 0.074 0.000 0.831 494 D CB 0.207 41.035 40.800 0.047 0.000 0.981 494 D HN 0.084 nan 8.370 nan 0.000 0.500 495 K N 0.979 121.409 120.400 0.049 0.000 2.914 495 K HA 0.126 4.540 4.320 0.156 0.000 0.246 495 K C 0.139 176.745 176.600 0.011 0.000 0.949 495 K CA -0.187 56.112 56.287 0.020 0.000 1.136 495 K CB -1.028 31.478 32.500 0.009 0.000 0.976 495 K HN 0.392 nan 8.250 nan 0.000 0.473 496 I N 0.426 121.004 120.570 0.014 0.000 2.517 496 I HA -0.084 4.179 4.170 0.156 0.000 0.285 496 I C 1.992 178.042 176.117 -0.111 0.000 1.106 496 I CA 0.111 61.392 61.300 -0.031 0.000 1.402 496 I CB 0.759 38.711 38.000 -0.080 0.000 1.399 496 I HN 0.050 nan 8.210 nan 0.000 0.535 497 T N 5.103 119.578 114.554 -0.130 0.000 2.559 497 T HA -0.050 4.394 4.350 0.156 0.000 0.251 497 T C 0.439 174.915 174.700 -0.374 0.000 1.122 497 T CA 1.221 63.188 62.100 -0.223 0.000 1.231 497 T CB -0.103 68.763 68.868 -0.003 0.000 0.881 497 T HN 0.651 nan 8.240 nan 0.000 0.397 498 H N -1.302 117.775 119.070 0.012 0.000 2.690 498 H HA 0.513 5.163 4.556 0.157 0.000 0.368 498 H C -1.393 173.840 175.328 -0.159 0.000 1.150 498 H CA -0.934 55.104 56.048 -0.016 0.000 1.174 498 H CB 1.153 30.994 29.762 0.132 0.000 1.684 498 H HN 0.289 nan 8.280 nan 0.000 0.538 499 Y N 1.293 121.719 120.300 0.212 0.000 2.299 499 Y HA 0.260 4.904 4.550 0.156 0.000 0.326 499 Y C 0.021 175.956 175.900 0.058 0.000 1.164 499 Y CA -0.483 57.684 58.100 0.112 0.000 1.234 499 Y CB 0.762 39.261 38.460 0.066 0.000 1.219 499 Y HN 0.563 nan 8.280 nan 0.000 0.497 500 N N 2.626 121.371 118.700 0.076 0.000 2.352 500 N HA 0.251 5.085 4.740 0.156 0.000 0.291 500 N C -1.396 174.040 175.510 -0.123 0.000 1.040 500 N CA -0.867 52.075 53.050 -0.180 0.000 0.864 500 N CB 1.705 39.817 38.487 -0.625 0.000 1.440 500 N HN 0.625 nan 8.380 nan 0.000 0.483 501 Y N 0.033 120.306 120.300 -0.045 0.000 2.650 501 Y HA 0.896 5.539 4.550 0.156 0.000 0.331 501 Y C -1.272 174.727 175.900 0.164 0.000 1.082 501 Y CA -1.382 56.738 58.100 0.034 0.000 1.171 501 Y CB 1.238 39.704 38.460 0.011 0.000 1.326 501 Y HN 0.267 nan 8.280 nan 0.000 0.513 502 L N 2.184 123.633 121.223 0.378 0.000 2.676 502 L HA 0.488 4.922 4.340 0.156 0.000 0.262 502 L C -1.700 175.336 176.870 0.278 0.000 0.932 502 L CA -0.945 54.082 54.840 0.311 0.000 0.932 502 L CB 1.821 44.053 42.059 0.288 0.000 1.355 502 L HN 0.752 nan 8.230 nan 0.000 0.421 503 I N 5.484 126.236 120.570 0.302 0.000 2.437 503 I HA 0.380 4.644 4.170 0.156 0.000 0.279 503 I C -0.760 175.461 176.117 0.174 0.000 1.028 503 I CA -0.644 60.787 61.300 0.219 0.000 1.142 503 I CB 1.381 39.535 38.000 0.257 0.000 1.266 503 I HN 0.278 nan 8.210 nan 0.000 0.461 504 L N 4.235 125.524 121.223 0.110 0.000 2.421 504 L HA 0.624 5.058 4.340 0.156 0.000 0.263 504 L C 0.394 177.306 176.870 0.070 0.000 1.122 504 L CA -0.157 54.735 54.840 0.086 0.000 0.804 504 L CB 1.413 43.520 42.059 0.080 0.000 1.150 504 L HN 0.602 nan 8.230 nan 0.000 0.457 505 S N 1.113 116.855 115.700 0.070 0.000 2.584 505 S HA 0.398 4.962 4.470 0.156 0.000 0.282 505 S C -1.061 173.589 174.600 0.083 0.000 1.138 505 S CA -0.807 57.432 58.200 0.065 0.000 0.987 505 S CB 0.089 63.330 63.200 0.068 0.000 1.137 505 S HN 0.608 nan 8.310 nan 0.000 0.457 506 K N 3.321 123.780 120.400 0.099 0.000 3.239 506 K HA -0.166 4.248 4.320 0.156 0.000 0.270 506 K C 0.937 177.599 176.600 0.103 0.000 1.049 506 K CA 0.718 57.074 56.287 0.115 0.000 0.769 506 K CB -1.968 30.607 32.500 0.125 0.000 1.305 506 K HN 1.788 nan 8.250 nan 0.000 0.469 507 G N 0.010 108.866 108.800 0.093 0.000 2.205 507 G HA2 -0.398 3.656 3.960 0.156 0.000 0.269 507 G HA3 -0.398 3.656 3.960 0.156 0.000 0.269 507 G C 0.024 174.955 174.900 0.052 0.000 0.977 507 G CA 1.227 46.369 45.100 0.071 0.000 0.652 507 G HN 0.401 nan 8.290 nan 0.000 0.539 508 K N 0.240 120.674 120.400 0.056 0.000 2.376 508 K HA 0.591 5.004 4.320 0.156 0.000 0.257 508 K C 0.902 177.524 176.600 0.037 0.000 0.939 508 K CA -1.006 55.304 56.287 0.039 0.000 0.809 508 K CB 1.004 33.528 32.500 0.039 0.000 1.121 508 K HN 0.176 nan 8.250 nan 0.000 0.425 509 I N 5.795 126.379 120.570 0.024 0.000 2.752 509 I HA -0.032 4.232 4.170 0.156 0.000 0.287 509 I C 1.189 177.299 176.117 -0.012 0.000 1.188 509 I CA 0.662 61.977 61.300 0.024 0.000 1.427 509 I CB 0.268 38.265 38.000 -0.004 0.000 1.365 509 I HN 0.741 nan 8.210 nan 0.000 0.585 510 I N 0.755 121.312 120.570 -0.022 0.000 5.080 510 I HA 0.231 4.495 4.170 0.156 0.000 0.356 510 I C 0.053 175.905 176.117 -0.442 0.000 1.231 510 I CA -0.249 60.927 61.300 -0.206 0.000 1.458 510 I CB 0.441 38.298 38.000 -0.238 0.000 1.672 510 I HN 0.467 nan 8.210 nan 0.000 0.568 511 H N 2.175 121.382 119.070 0.228 0.000 2.851 511 H HA 0.741 5.391 4.556 0.157 0.000 0.372 511 H C -1.486 174.088 175.328 0.411 0.000 1.158 511 H CA -0.432 55.813 56.048 0.328 0.000 1.159 511 H CB 2.939 32.871 29.762 0.284 0.000 1.757 511 H HN 0.212 nan 8.280 nan 0.000 0.546 512 F N -1.170 118.792 119.950 0.021 0.000 2.793 512 F HA 0.590 5.211 4.527 0.157 0.000 0.316 512 F C -0.725 174.623 175.800 -0.753 0.000 1.147 512 F CA -0.395 57.321 58.000 -0.473 0.000 0.930 512 F CB 1.202 40.099 39.000 -0.173 0.000 1.277 512 F HN 0.857 nan 8.300 nan 0.000 0.443 513 G N 0.407 108.366 108.800 -1.401 0.000 2.335 513 G HA2 0.543 4.597 3.960 0.156 0.000 0.291 513 G HA3 0.543 4.597 3.960 0.156 0.000 0.291 513 G C -1.917 172.701 174.900 -0.470 0.000 1.261 513 G CA -0.325 44.218 45.100 -0.928 0.000 0.871 513 G HN 0.910 nan 8.290 nan 0.000 0.491 514 T N 0.921 115.373 114.554 -0.170 0.000 2.993 514 T HA 0.604 5.048 4.350 0.156 0.000 0.312 514 T C -1.079 173.664 174.700 0.072 0.000 1.115 514 T CA -0.766 61.327 62.100 -0.012 0.000 1.027 514 T CB 1.745 70.561 68.868 -0.087 0.000 1.116 514 T HN 0.519 nan 8.240 nan 0.000 0.464 515 R N 2.162 122.767 120.500 0.174 0.000 2.295 515 R HA 0.367 4.801 4.340 0.156 0.000 0.324 515 R C 0.013 176.466 176.300 0.255 0.000 0.968 515 R CA -0.820 55.379 56.100 0.164 0.000 0.837 515 R CB 1.314 31.688 30.300 0.124 0.000 1.133 515 R HN 0.768 nan 8.270 nan 0.000 0.450 516 E N 2.844 123.203 120.200 0.265 0.000 2.480 516 E HA -0.065 4.379 4.350 0.156 0.000 0.258 516 E C -0.245 176.526 176.600 0.285 0.000 0.984 516 E CA 0.006 56.646 56.400 0.400 0.000 0.930 516 E CB 0.731 30.636 29.700 0.342 0.000 0.936 516 E HN 0.149 nan 8.360 nan 0.000 0.466 517 K N 4.409 124.935 120.400 0.209 0.000 2.436 517 K HA -0.002 4.412 4.320 0.156 0.000 0.275 517 K C -0.685 176.113 176.600 0.331 0.000 0.999 517 K CA -0.229 56.181 56.287 0.206 0.000 0.980 517 K CB 0.278 32.742 32.500 -0.060 0.000 0.919 517 K HN 0.455 nan 8.250 nan 0.000 0.484 518 F N 3.652 123.681 119.950 0.132 0.000 2.468 518 F HA 0.012 4.633 4.527 0.157 0.000 0.356 518 F C 1.654 177.469 175.800 0.024 0.000 1.167 518 F CA -0.165 57.870 58.000 0.060 0.000 1.135 518 F CB -0.564 38.455 39.000 0.032 0.000 1.197 518 F HN 0.582 nan 8.300 nan 0.000 0.569 519 S N 2.958 118.738 115.700 0.133 0.000 2.548 519 S HA -0.323 4.241 4.470 0.156 0.000 0.252 519 S C 1.709 176.322 174.600 0.020 0.000 1.076 519 S CA 1.747 59.975 58.200 0.046 0.000 1.395 519 S CB -0.478 62.720 63.200 -0.002 0.000 1.230 519 S HN 0.777 nan 8.310 nan 0.000 0.418 520 D N 3.258 123.639 120.400 -0.032 0.000 2.591 520 D HA -0.169 4.565 4.640 0.156 0.000 0.233 520 D C 1.001 177.288 176.300 -0.023 0.000 1.211 520 D CA 1.574 55.550 54.000 -0.040 0.000 1.027 520 D CB -1.373 39.380 40.800 -0.078 0.000 1.522 520 D HN 0.569 nan 8.370 nan 0.000 0.548 521 A N -0.274 122.519 122.820 -0.045 0.000 2.387 521 A HA 0.331 4.745 4.320 0.156 0.000 0.251 521 A C 1.469 179.025 177.584 -0.048 0.000 1.113 521 A CA 0.592 52.587 52.037 -0.071 0.000 0.794 521 A CB 0.244 19.158 19.000 -0.144 0.000 1.069 521 A HN 0.462 nan 8.150 nan 0.000 0.506 522 S N -0.937 114.696 115.700 -0.112 0.000 2.159 522 S HA 0.055 4.619 4.470 0.156 0.000 0.163 522 S C 0.970 175.555 174.600 -0.025 0.000 1.394 522 S CA 1.061 59.241 58.200 -0.034 0.000 2.434 522 S CB -0.881 62.344 63.200 0.042 0.000 0.341 522 S HN 0.855 nan 8.310 nan 0.000 0.348 523 Y N 1.327 121.658 120.300 0.052 0.000 2.130 523 Y HA 0.424 5.068 4.550 0.156 0.000 0.383 523 Y C 0.447 176.342 175.900 -0.008 0.000 1.258 523 Y CA -0.118 57.976 58.100 -0.011 0.000 1.776 523 Y CB -0.137 38.285 38.460 -0.062 0.000 1.501 523 Y HN 0.745 nan 8.280 nan 0.000 0.719 524 Q N -1.334 118.533 119.800 0.112 0.000 2.791 524 Q HA 0.353 4.787 4.340 0.156 0.000 0.280 524 Q C -1.864 174.062 176.000 -0.123 0.000 0.928 524 Q CA -0.811 54.973 55.803 -0.031 0.000 0.819 524 Q CB 0.893 29.471 28.738 -0.266 0.000 1.552 524 Q HN 0.727 nan 8.270 nan 0.000 0.410 525 S N 1.317 116.938 115.700 -0.131 0.000 2.580 525 S HA 0.559 5.123 4.470 0.156 0.000 0.274 525 S C 0.120 174.601 174.600 -0.199 0.000 1.329 525 S CA -0.313 57.809 58.200 -0.131 0.000 1.036 525 S CB 0.186 63.342 63.200 -0.072 0.000 0.919 525 S HN 0.392 nan 8.310 nan 0.000 0.515 526 I N 2.664 123.124 120.570 -0.184 0.000 2.465 526 I HA 0.367 4.631 4.170 0.156 0.000 0.291 526 I C -0.300 175.712 176.117 -0.174 0.000 1.014 526 I CA -0.584 60.596 61.300 -0.200 0.000 1.093 526 I CB 1.690 39.539 38.000 -0.253 0.000 1.267 526 I HN 0.476 nan 8.210 nan 0.000 0.431 527 N N 6.970 125.577 118.700 -0.155 0.000 2.623 527 N HA 0.407 5.241 4.740 0.156 0.000 0.256 527 N C -1.374 174.075 175.510 -0.102 0.000 1.045 527 N CA -0.445 52.544 53.050 -0.102 0.000 0.863 527 N CB 1.081 39.538 38.487 -0.051 0.000 1.182 527 N HN 0.382 nan 8.380 nan 0.000 0.523 528 I N 3.143 123.613 120.570 -0.167 0.000 2.312 528 I HA 0.402 4.666 4.170 0.156 0.000 0.290 528 I C -2.121 173.900 176.117 -0.160 0.000 1.008 528 I CA -2.418 58.756 61.300 -0.209 0.000 1.226 528 I CB 0.986 38.759 38.000 -0.379 0.000 1.371 528 I HN 0.193 nan 8.210 nan 0.000 0.468 529 P HA -0.028 nan 4.420 nan 0.000 0.257 529 P C 0.012 177.111 177.300 -0.335 0.000 1.189 529 P CA 0.042 62.923 63.100 -0.365 0.000 0.780 529 P CB 0.353 31.922 31.700 -0.219 0.000 0.772 530 V N 4.810 124.528 119.914 -0.326 0.000 2.557 530 V HA 0.018 4.232 4.120 0.156 0.000 0.301 530 V C 0.547 176.521 176.094 -0.200 0.000 1.026 530 V CA 1.021 63.178 62.300 -0.238 0.000 1.137 530 V CB 0.374 32.088 31.823 -0.181 0.000 0.917 530 V HN 0.514 nan 8.190 nan 0.000 0.484 531 T N 4.549 119.013 114.554 -0.150 0.000 2.888 531 T HA 0.277 4.721 4.350 0.156 0.000 0.284 531 T C 0.690 175.387 174.700 -0.004 0.000 1.017 531 T CA -0.146 61.920 62.100 -0.058 0.000 1.022 531 T CB 1.751 70.635 68.868 0.027 0.000 1.013 531 T HN 0.884 nan 8.240 nan 0.000 0.465 532 Q N 3.425 123.230 119.800 0.008 0.000 2.268 532 Q HA -0.201 4.233 4.340 0.156 0.000 0.213 532 Q C 1.366 177.400 176.000 0.057 0.000 0.995 532 Q CA 2.468 58.286 55.803 0.026 0.000 0.901 532 Q CB -0.588 28.171 28.738 0.034 0.000 0.921 532 Q HN 0.813 nan 8.270 nan 0.000 0.421 533 N N -1.249 117.506 118.700 0.092 0.000 2.609 533 N HA -0.031 4.803 4.740 0.156 0.000 0.190 533 N C 0.220 175.798 175.510 0.113 0.000 1.157 533 N CA 0.810 53.930 53.050 0.117 0.000 0.918 533 N CB 0.057 38.639 38.487 0.158 0.000 0.978 533 N HN 0.414 nan 8.380 nan 0.000 0.448 534 M N -0.990 118.654 119.600 0.073 0.000 2.412 534 M HA 0.144 4.718 4.480 0.156 0.000 0.315 534 M C 1.342 177.638 176.300 -0.007 0.000 1.092 534 M CA -0.155 55.166 55.300 0.034 0.000 0.974 534 M CB 0.556 33.153 32.600 -0.005 0.000 1.437 534 M HN -0.082 nan 8.290 nan 0.000 0.524 535 V N -0.681 119.246 119.914 0.022 0.000 2.251 535 V HA -0.252 3.962 4.120 0.156 0.000 0.259 535 V C -0.743 175.294 176.094 -0.095 0.000 1.078 535 V CA 2.101 64.400 62.300 -0.003 0.000 1.072 535 V CB -2.566 29.314 31.823 0.095 0.000 0.681 535 V HN 0.299 nan 8.190 nan 0.000 0.454 536 P HA 0.115 nan 4.420 nan 0.000 0.216 536 P C 0.934 178.146 177.300 -0.145 0.000 1.154 536 P CA 1.782 64.768 63.100 -0.190 0.000 0.857 536 P CB 0.070 31.829 31.700 0.097 0.000 0.787 537 S N -3.060 112.593 115.700 -0.078 0.000 3.121 537 S HA 0.765 5.329 4.470 0.156 0.000 0.324 537 S C -0.959 173.510 174.600 -0.219 0.000 1.192 537 S CA -0.478 57.602 58.200 -0.200 0.000 0.937 537 S CB 1.290 64.473 63.200 -0.028 0.000 1.336 537 S HN -0.125 nan 8.310 nan 0.000 0.664 538 S N -0.381 115.093 115.700 -0.376 0.000 2.715 538 S HA 0.461 5.024 4.470 0.156 0.000 0.290 538 S C -1.786 172.603 174.600 -0.351 0.000 1.008 538 S CA -0.962 57.088 58.200 -0.250 0.000 0.850 538 S CB 1.066 64.149 63.200 -0.195 0.000 1.059 538 S HN 0.925 nan 8.310 nan 0.000 0.455 539 R N 0.910 121.329 120.500 -0.134 0.000 2.888 539 R HA 0.916 5.350 4.340 0.156 0.000 0.266 539 R C -1.364 174.906 176.300 -0.050 0.000 1.020 539 R CA -1.156 54.888 56.100 -0.094 0.000 0.963 539 R CB 0.791 31.123 30.300 0.054 0.000 1.197 539 R HN 0.401 nan 8.270 nan 0.000 0.481 540 L N -0.744 120.441 121.223 -0.064 0.000 2.409 540 L HA 0.793 5.227 4.340 0.156 0.000 0.255 540 L C -1.197 175.657 176.870 -0.026 0.000 1.027 540 L CA -1.227 53.603 54.840 -0.016 0.000 0.834 540 L CB 1.322 43.358 42.059 -0.040 0.000 1.426 540 L HN 0.850 nan 8.230 nan 0.000 0.411 541 L N 0.245 121.475 121.223 0.010 0.000 2.568 541 L HA 0.971 5.405 4.340 0.156 0.000 0.257 541 L C -1.774 175.132 176.870 0.059 0.000 1.024 541 L CA -0.782 54.039 54.840 -0.032 0.000 0.854 541 L CB 2.447 44.390 42.059 -0.193 0.000 1.460 541 L HN 0.533 nan 8.230 nan 0.000 0.409 542 V N 2.727 122.690 119.914 0.082 0.000 2.671 542 V HA 0.364 4.578 4.120 0.156 0.000 0.292 542 V C -1.582 174.674 176.094 0.269 0.000 1.115 542 V CA -0.313 62.080 62.300 0.155 0.000 0.918 542 V CB 1.612 33.501 31.823 0.110 0.000 1.036 542 V HN 0.735 nan 8.190 nan 0.000 0.445 543 Y N 4.646 125.100 120.300 0.258 0.000 2.393 543 Y HA 0.890 5.534 4.550 0.156 0.000 0.341 543 Y C -0.888 175.272 175.900 0.434 0.000 0.988 543 Y CA -1.558 56.745 58.100 0.339 0.000 1.078 543 Y CB 1.403 40.025 38.460 0.270 0.000 1.203 543 Y HN 0.668 nan 8.280 nan 0.000 0.453 544 Y N 2.144 122.612 120.300 0.280 0.000 2.352 544 Y HA 0.713 5.356 4.550 0.156 0.000 0.339 544 Y C -0.910 175.093 175.900 0.171 0.000 0.992 544 Y CA -3.376 54.804 58.100 0.133 0.000 1.100 544 Y CB 0.617 39.085 38.460 0.013 0.000 1.192 544 Y HN 0.650 nan 8.280 nan 0.000 0.458 545 I N 4.875 125.470 120.570 0.042 0.000 2.347 545 I HA 0.207 4.471 4.170 0.156 0.000 0.294 545 I C -0.470 175.526 176.117 -0.202 0.000 1.090 545 I CA -0.579 60.676 61.300 -0.076 0.000 1.314 545 I CB 0.438 38.416 38.000 -0.038 0.000 1.423 545 I HN 0.412 nan 8.210 nan 0.000 0.503 546 V N 5.955 125.709 119.914 -0.266 0.000 2.364 546 V HA 0.112 4.326 4.120 0.156 0.000 0.272 546 V C 0.650 176.677 176.094 -0.111 0.000 1.036 546 V CA -0.234 61.946 62.300 -0.201 0.000 0.880 546 V CB 1.375 33.033 31.823 -0.275 0.000 0.991 546 V HN 0.708 nan 8.190 nan 0.000 0.460 547 T N 5.282 119.799 114.554 -0.062 0.000 3.688 547 T HA 0.235 4.679 4.350 0.156 0.000 0.307 547 T C 0.837 175.562 174.700 0.042 0.000 1.382 547 T CA -0.094 61.990 62.100 -0.027 0.000 1.136 547 T CB -0.080 68.770 68.868 -0.030 0.000 1.207 547 T HN 0.850 nan 8.240 nan 0.000 0.854 548 G N 2.007 110.821 108.800 0.024 0.000 2.491 548 G HA2 0.113 4.167 3.960 0.156 0.000 0.238 548 G HA3 0.113 4.167 3.960 0.156 0.000 0.238 548 G C 1.211 176.155 174.900 0.073 0.000 1.277 548 G CA -0.548 44.596 45.100 0.072 0.000 0.851 548 G HN 0.617 nan 8.290 nan 0.000 0.573 549 E N 1.454 121.725 120.200 0.118 0.000 2.209 549 E HA -0.259 4.185 4.350 0.156 0.000 0.196 549 E C 1.839 178.462 176.600 0.038 0.000 0.993 549 E CA 1.555 57.996 56.400 0.069 0.000 0.819 549 E CB -0.179 29.565 29.700 0.073 0.000 0.745 549 E HN 0.768 nan 8.360 nan 0.000 0.477 550 Q N 0.793 120.611 119.800 0.030 0.000 2.123 550 Q HA 0.060 4.494 4.340 0.156 0.000 0.196 550 Q C 0.158 176.158 176.000 0.001 0.000 0.958 550 Q CA 0.896 56.707 55.803 0.012 0.000 0.841 550 Q CB 0.245 28.987 28.738 0.007 0.000 0.915 550 Q HN 0.108 nan 8.270 nan 0.000 0.455 551 T N 0.417 114.967 114.554 -0.008 0.000 2.957 551 T HA 0.542 4.986 4.350 0.156 0.000 0.336 551 T C -1.567 173.117 174.700 -0.027 0.000 1.462 551 T CA -0.255 61.835 62.100 -0.016 0.000 1.073 551 T CB 1.652 70.510 68.868 -0.016 0.000 1.319 551 T HN 0.382 nan 8.240 nan 0.000 0.485 552 A N 2.189 124.990 122.820 -0.031 0.000 2.505 552 A HA 0.355 4.769 4.320 0.156 0.000 0.271 552 A C 0.341 177.901 177.584 -0.040 0.000 1.112 552 A CA 0.379 52.391 52.037 -0.042 0.000 0.781 552 A CB -0.163 18.812 19.000 -0.043 0.000 1.059 552 A HN 0.671 nan 8.150 nan 0.000 0.508 553 E N 3.260 123.422 120.200 -0.063 0.000 2.129 553 E HA 0.388 4.832 4.350 0.156 0.000 0.268 553 E C -0.901 175.649 176.600 -0.084 0.000 0.900 553 E CA -0.408 55.954 56.400 -0.064 0.000 0.755 553 E CB 0.875 30.521 29.700 -0.089 0.000 1.117 553 E HN 0.717 nan 8.360 nan 0.000 0.410 554 L N 3.641 124.853 121.223 -0.019 0.000 2.395 554 L HA 0.422 4.856 4.340 0.156 0.000 0.269 554 L C -0.442 176.449 176.870 0.035 0.000 1.133 554 L CA -0.435 54.410 54.840 0.009 0.000 0.812 554 L CB 1.384 43.474 42.059 0.051 0.000 1.125 554 L HN 0.321 nan 8.230 nan 0.000 0.452 555 V N 1.966 121.903 119.914 0.039 0.000 2.851 555 V HA 0.590 4.804 4.120 0.156 0.000 0.307 555 V C -0.496 175.851 176.094 0.423 0.000 1.129 555 V CA -0.374 62.049 62.300 0.204 0.000 0.932 555 V CB 2.223 34.029 31.823 -0.028 0.000 1.024 555 V HN 0.904 nan 8.190 nan 0.000 0.426 556 S N 2.973 118.979 115.700 0.511 0.000 2.672 556 S HA 0.820 5.384 4.470 0.156 0.000 0.271 556 S C -1.993 172.823 174.600 0.360 0.000 1.171 556 S CA -0.321 58.121 58.200 0.403 0.000 0.817 556 S CB 2.296 65.617 63.200 0.202 0.000 1.150 556 S HN 0.907 nan 8.310 nan 0.000 0.478 557 D N -0.625 119.899 120.400 0.206 0.000 2.677 557 D HA 0.760 5.494 4.640 0.156 0.000 0.298 557 D C -1.483 174.852 176.300 0.058 0.000 1.250 557 D CA 0.523 54.614 54.000 0.151 0.000 0.888 557 D CB 1.946 42.890 40.800 0.240 0.000 1.397 557 D HN 1.074 nan 8.370 nan 0.000 0.461 558 S N -0.985 114.751 115.700 0.060 0.000 2.595 558 S HA 0.724 5.288 4.470 0.156 0.000 0.270 558 S C -1.320 173.304 174.600 0.041 0.000 1.145 558 S CA -0.439 57.768 58.200 0.012 0.000 0.825 558 S CB 0.752 63.935 63.200 -0.028 0.000 1.107 558 S HN 1.070 nan 8.310 nan 0.000 0.461 559 V N -2.280 117.624 119.914 -0.018 0.000 3.078 559 V HA 0.850 5.063 4.120 0.156 0.000 0.311 559 V C -1.119 174.998 176.094 0.039 0.000 1.138 559 V CA -1.014 61.287 62.300 0.001 0.000 1.007 559 V CB 1.329 33.030 31.823 -0.202 0.000 1.045 559 V HN 1.162 nan 8.190 nan 0.000 0.432 560 W N 2.805 124.089 121.300 -0.028 0.000 2.438 560 W HA 0.775 5.528 4.660 0.155 0.000 0.324 560 W C -0.607 175.905 176.519 -0.011 0.000 1.119 560 W CA -0.935 56.405 57.345 -0.007 0.000 1.221 560 W CB 1.503 30.985 29.460 0.036 0.000 1.253 560 W HN 0.622 nan 8.180 nan 0.000 0.555 561 L N 7.122 127.720 121.223 -1.041 0.000 2.637 561 L HA 0.126 4.560 4.340 0.156 0.000 0.241 561 L C 0.332 176.649 176.870 -0.921 0.000 1.398 561 L CA -0.724 53.669 54.840 -0.745 0.000 0.895 561 L CB -0.239 41.507 42.059 -0.523 0.000 1.183 561 L HN 0.499 nan 8.230 nan 0.000 0.497 562 N N 3.079 121.154 118.700 -1.042 0.000 2.353 562 N HA 0.191 5.025 4.740 0.156 0.000 0.248 562 N C -0.482 174.883 175.510 -0.242 0.000 1.240 562 N CA 0.616 53.320 53.050 -0.577 0.000 0.862 562 N CB 1.187 39.755 38.487 0.135 0.000 1.086 562 N HN 0.569 nan 8.380 nan 0.000 0.453 563 I N -0.970 119.484 120.570 -0.194 0.000 3.354 563 I HA 0.414 4.677 4.170 0.156 0.000 0.316 563 I C -0.631 175.407 176.117 -0.132 0.000 1.182 563 I CA -1.068 60.150 61.300 -0.137 0.000 0.942 563 I CB 1.807 39.714 38.000 -0.154 0.000 1.299 563 I HN 0.545 nan 8.210 nan 0.000 0.473 564 E N 1.440 121.573 120.200 -0.113 0.000 2.417 564 E HA 0.050 4.494 4.350 0.156 0.000 0.261 564 E C -0.762 175.736 176.600 -0.170 0.000 1.000 564 E CA -0.113 56.220 56.400 -0.112 0.000 0.919 564 E CB 0.485 30.136 29.700 -0.082 0.000 0.955 564 E HN 0.560 nan 8.360 nan 0.000 0.455 565 E N 3.177 123.252 120.200 -0.209 0.000 2.773 565 E HA -0.028 4.416 4.350 0.156 0.000 0.302 565 E C -0.427 176.116 176.600 -0.095 0.000 1.574 565 E CA -0.089 56.100 56.400 -0.352 0.000 1.775 565 E CB -0.048 29.397 29.700 -0.425 0.000 1.413 565 E HN 0.368 nan 8.360 nan 0.000 0.471 566 K N 1.139 121.507 120.400 -0.053 0.000 2.412 566 K HA 0.049 4.462 4.320 0.156 0.000 0.284 566 K C -0.338 176.325 176.600 0.105 0.000 1.046 566 K CA -0.427 55.873 56.287 0.023 0.000 0.999 566 K CB 0.332 32.831 32.500 -0.001 0.000 0.941 566 K HN 0.229 nan 8.250 nan 0.000 0.474 567 c N 3.187 121.873 118.600 0.142 0.000 2.633 567 c HA 0.179 4.842 4.570 0.156 0.000 0.345 567 c C 2.108 176.261 174.090 0.104 0.000 1.384 567 c CA -0.237 56.193 56.329 0.169 0.000 2.418 567 c CB 0.549 43.128 42.510 0.114 0.000 2.425 567 c HN 1.089 nan 8.230 nan 0.000 0.705 568 G N 0.731 109.586 108.800 0.091 0.000 2.551 568 G HA2 -0.050 4.004 3.960 0.156 0.000 0.214 568 G HA3 -0.050 4.004 3.960 0.156 0.000 0.214 568 G C 0.369 175.294 174.900 0.043 0.000 1.250 568 G CA 0.494 45.634 45.100 0.066 0.000 0.825 568 G HN 0.702 nan 8.290 nan 0.000 0.549 569 N N 1.212 119.931 118.700 0.032 0.000 2.408 569 N HA 0.301 5.134 4.740 0.156 0.000 0.257 569 N C -0.582 174.933 175.510 0.010 0.000 1.064 569 N CA -0.091 52.969 53.050 0.016 0.000 0.952 569 N CB 1.408 39.900 38.487 0.010 0.000 1.093 569 N HN 0.130 nan 8.380 nan 0.000 0.490 570 Q N 1.755 121.559 119.800 0.008 0.000 2.337 570 Q HA 0.105 4.539 4.340 0.156 0.000 0.255 570 Q C -0.629 175.362 176.000 -0.015 0.000 1.205 570 Q CA -0.080 55.724 55.803 0.001 0.000 0.902 570 Q CB 0.051 28.793 28.738 0.005 0.000 1.433 570 Q HN 0.369 nan 8.270 nan 0.000 0.471 571 L N 3.482 124.690 121.223 -0.026 0.000 2.257 571 L HA 0.474 4.908 4.340 0.156 0.000 0.290 571 L C -1.112 175.715 176.870 -0.071 0.000 1.044 571 L CA -0.218 54.595 54.840 -0.045 0.000 0.810 571 L CB 1.335 43.366 42.059 -0.047 0.000 1.193 571 L HN 0.470 nan 8.230 nan 0.000 0.425 572 Q N 3.538 123.277 119.800 -0.101 0.000 2.375 572 Q HA 0.750 5.184 4.340 0.156 0.000 0.271 572 Q C -1.671 174.183 176.000 -0.243 0.000 1.074 572 Q CA -0.684 55.003 55.803 -0.192 0.000 0.808 572 Q CB 2.311 30.915 28.738 -0.223 0.000 1.327 572 Q HN 0.554 nan 8.270 nan 0.000 0.441 573 V N 1.238 120.972 119.914 -0.300 0.000 2.409 573 V HA 0.655 4.869 4.120 0.156 0.000 0.291 573 V C -0.777 175.157 176.094 -0.267 0.000 1.020 573 V CA -0.786 61.388 62.300 -0.211 0.000 0.848 573 V CB 1.436 33.201 31.823 -0.096 0.000 0.990 573 V HN 0.765 nan 8.190 nan 0.000 0.430 574 H N 4.037 123.131 119.070 0.039 0.000 2.538 574 H HA 0.599 5.250 4.556 0.157 0.000 0.353 574 H C -0.645 174.721 175.328 0.064 0.000 1.109 574 H CA -0.857 55.222 56.048 0.051 0.000 1.192 574 H CB 2.463 32.250 29.762 0.041 0.000 1.555 574 H HN 0.610 nan 8.280 nan 0.000 0.518 575 L N 1.869 123.232 121.223 0.233 0.000 2.319 575 L HA 0.094 4.528 4.340 0.156 0.000 0.280 575 L C 1.534 178.497 176.870 0.154 0.000 1.099 575 L CA -0.144 54.802 54.840 0.177 0.000 0.828 575 L CB 1.100 43.301 42.059 0.238 0.000 1.150 575 L HN 0.625 nan 8.230 nan 0.000 0.442 576 S N 3.042 118.804 115.700 0.103 0.000 2.377 576 S HA -0.092 4.472 4.470 0.156 0.000 0.224 576 S C -1.511 173.145 174.600 0.093 0.000 1.042 576 S CA 1.164 59.410 58.200 0.077 0.000 1.086 576 S CB -0.760 62.462 63.200 0.038 0.000 0.995 576 S HN 0.584 nan 8.310 nan 0.000 0.428 577 P HA 0.233 nan 4.420 nan 0.000 0.279 577 P C -0.422 176.966 177.300 0.147 0.000 1.318 577 P CA 0.003 63.183 63.100 0.133 0.000 0.819 577 P CB 0.518 32.328 31.700 0.182 0.000 0.927 578 D N 2.553 122.991 120.400 0.064 0.000 2.363 578 D HA 0.023 4.756 4.640 0.156 0.000 0.226 578 D C 0.558 176.854 176.300 -0.008 0.000 1.020 578 D CA 0.018 54.054 54.000 0.060 0.000 0.892 578 D CB 0.045 40.855 40.800 0.016 0.000 0.900 578 D HN 0.327 nan 8.370 nan 0.000 0.531 579 A N 1.096 123.853 122.820 -0.105 0.000 2.586 579 A HA -0.057 4.357 4.320 0.156 0.000 0.231 579 A C 0.583 178.029 177.584 -0.230 0.000 1.055 579 A CA 0.370 52.291 52.037 -0.194 0.000 0.756 579 A CB 0.160 18.983 19.000 -0.295 0.000 0.988 579 A HN 0.251 nan 8.150 nan 0.000 0.509 580 D N -0.304 120.018 120.400 -0.131 0.000 2.538 580 D HA 0.491 5.225 4.640 0.156 0.000 0.234 580 D C -0.106 176.169 176.300 -0.042 0.000 1.191 580 D CA 0.587 54.561 54.000 -0.044 0.000 0.828 580 D CB -0.077 40.721 40.800 -0.004 0.000 0.981 580 D HN 0.877 nan 8.370 nan 0.000 0.490 581 A N -0.436 122.267 122.820 -0.195 0.000 2.586 581 A HA 0.545 4.959 4.320 0.156 0.000 0.296 581 A C -1.986 175.433 177.584 -0.275 0.000 1.040 581 A CA -1.043 50.958 52.037 -0.059 0.000 0.701 581 A CB 0.622 19.643 19.000 0.036 0.000 1.277 581 A HN 0.126 nan 8.150 nan 0.000 0.413 582 Y N 0.681 121.072 120.300 0.152 0.000 2.499 582 Y HA 0.578 5.222 4.550 0.157 0.000 0.347 582 Y C 0.887 176.863 175.900 0.126 0.000 0.987 582 Y CA -0.260 57.921 58.100 0.135 0.000 1.044 582 Y CB 2.382 40.936 38.460 0.157 0.000 1.245 582 Y HN 0.787 nan 8.280 nan 0.000 0.461 583 S N 2.152 117.999 115.700 0.245 0.000 2.505 583 S HA 0.286 4.850 4.470 0.156 0.000 0.276 583 S C -2.874 171.818 174.600 0.154 0.000 1.274 583 S CA -1.515 56.776 58.200 0.152 0.000 1.053 583 S CB 0.524 63.789 63.200 0.109 0.000 0.919 583 S HN 0.294 nan 8.310 nan 0.000 0.490 584 P HA 0.299 nan 4.420 nan 0.000 0.266 584 P C 0.990 178.330 177.300 0.066 0.000 1.419 584 P CA 0.507 63.663 63.100 0.095 0.000 1.112 584 P CB -0.026 31.692 31.700 0.029 0.000 1.438 585 G N 2.058 110.901 108.800 0.072 0.000 2.296 585 G HA2 -0.196 3.858 3.960 0.156 0.000 0.188 585 G HA3 -0.196 3.858 3.960 0.156 0.000 0.188 585 G C 0.189 175.111 174.900 0.036 0.000 1.000 585 G CA -0.518 44.604 45.100 0.036 0.000 0.672 585 G HN 0.584 nan 8.290 nan 0.000 0.483 586 Q N 2.275 122.114 119.800 0.064 0.000 2.283 586 Q HA 0.357 4.791 4.340 0.156 0.000 0.301 586 Q C 0.842 176.850 176.000 0.012 0.000 1.063 586 Q CA 0.928 56.768 55.803 0.062 0.000 0.952 586 Q CB 0.224 29.041 28.738 0.130 0.000 1.166 586 Q HN 0.541 nan 8.270 nan 0.000 0.381 587 T N 0.945 115.497 114.554 -0.003 0.000 2.870 587 T HA 0.401 4.844 4.350 0.156 0.000 0.300 587 T C -0.200 174.451 174.700 -0.081 0.000 0.989 587 T CA -0.761 61.309 62.100 -0.050 0.000 1.139 587 T CB 1.382 70.238 68.868 -0.019 0.000 0.920 587 T HN 0.474 nan 8.240 nan 0.000 0.537 588 V N 2.051 121.831 119.914 -0.223 0.000 2.697 588 V HA 0.539 4.753 4.120 0.156 0.000 0.300 588 V C -0.509 175.365 176.094 -0.367 0.000 1.115 588 V CA -0.713 61.456 62.300 -0.218 0.000 0.912 588 V CB 2.118 33.827 31.823 -0.190 0.000 1.024 588 V HN 1.133 nan 8.190 nan 0.000 0.431 589 S N 7.043 122.644 115.700 -0.166 0.000 2.565 589 S HA 0.679 5.243 4.470 0.156 0.000 0.276 589 S C -0.394 174.169 174.600 -0.061 0.000 1.326 589 S CA -0.349 57.785 58.200 -0.109 0.000 1.045 589 S CB 1.329 64.517 63.200 -0.020 0.000 0.918 589 S HN 1.122 nan 8.310 nan 0.000 0.505 590 L N 2.793 124.034 121.223 0.029 0.000 2.334 590 L HA 0.589 5.023 4.340 0.156 0.000 0.276 590 L C -0.764 176.162 176.870 0.093 0.000 1.014 590 L CA -0.341 54.567 54.840 0.114 0.000 0.815 590 L CB 1.320 43.556 42.059 0.295 0.000 1.268 590 L HN 0.517 nan 8.230 nan 0.000 0.428 591 N N 4.367 123.116 118.700 0.082 0.000 2.362 591 N HA 0.540 5.374 4.740 0.156 0.000 0.298 591 N C -1.049 174.470 175.510 0.014 0.000 1.048 591 N CA -0.472 52.611 53.050 0.055 0.000 0.858 591 N CB 1.970 40.512 38.487 0.091 0.000 1.218 591 N HN 0.573 nan 8.380 nan 0.000 0.488 592 M N 1.338 120.933 119.600 -0.009 0.000 2.705 592 M HA 0.704 5.277 4.480 0.156 0.000 0.311 592 M C -0.539 175.747 176.300 -0.024 0.000 1.214 592 M CA -0.454 54.827 55.300 -0.032 0.000 0.920 592 M CB 1.998 34.573 32.600 -0.042 0.000 1.687 592 M HN 0.645 nan 8.290 nan 0.000 0.481 593 A N 0.264 123.064 122.820 -0.035 0.000 2.594 593 A HA 0.855 5.268 4.320 0.156 0.000 0.296 593 A C -1.496 176.072 177.584 -0.027 0.000 1.056 593 A CA -0.715 51.308 52.037 -0.023 0.000 0.693 593 A CB 1.271 20.268 19.000 -0.005 0.000 1.278 593 A HN 0.704 nan 8.150 nan 0.000 0.408 594 T N 0.124 114.665 114.554 -0.021 0.000 3.159 594 T HA 0.488 4.932 4.350 0.156 0.000 0.343 594 T C 0.897 175.589 174.700 -0.013 0.000 1.364 594 T CA -0.082 62.007 62.100 -0.019 0.000 1.102 594 T CB 1.357 70.208 68.868 -0.028 0.000 1.263 594 T HN 1.658 nan 8.240 nan 0.000 0.477 595 G N 1.645 110.442 108.800 -0.006 0.000 2.498 595 G HA2 0.091 4.145 3.960 0.156 0.000 0.219 595 G HA3 0.091 4.145 3.960 0.156 0.000 0.219 595 G C 0.406 175.303 174.900 -0.006 0.000 1.119 595 G CA 0.731 45.831 45.100 -0.002 0.000 0.766 595 G HN 0.505 nan 8.290 nan 0.000 0.552 596 M N 0.395 119.988 119.600 -0.012 0.000 2.531 596 M HA 0.278 4.852 4.480 0.156 0.000 0.286 596 M C -1.456 174.819 176.300 -0.041 0.000 1.232 596 M CA -1.019 54.270 55.300 -0.019 0.000 0.877 596 M CB 1.966 34.562 32.600 -0.007 0.000 1.726 596 M HN -0.149 nan 8.290 nan 0.000 0.463 597 D N 1.742 122.107 120.400 -0.058 0.000 2.571 597 D HA 0.182 4.916 4.640 0.156 0.000 0.231 597 D C -0.202 176.020 176.300 -0.130 0.000 1.133 597 D CA 0.915 54.850 54.000 -0.108 0.000 0.862 597 D CB 0.773 41.499 40.800 -0.123 0.000 1.179 597 D HN 0.473 nan 8.370 nan 0.000 0.474 598 S N 0.864 116.449 115.700 -0.191 0.000 2.565 598 S HA 0.381 4.945 4.470 0.156 0.000 0.269 598 S C -1.888 172.580 174.600 -0.219 0.000 1.153 598 S CA -0.848 57.255 58.200 -0.162 0.000 0.835 598 S CB 0.564 63.738 63.200 -0.044 0.000 1.122 598 S HN 0.422 nan 8.310 nan 0.000 0.462 599 W N 3.099 124.409 121.300 0.016 0.000 2.308 599 W HA 0.531 5.293 4.660 0.170 0.000 0.311 599 W C -0.001 176.516 176.519 -0.003 0.000 1.088 599 W CA -0.584 56.773 57.345 0.019 0.000 1.309 599 W CB 1.013 30.490 29.460 0.027 0.000 1.229 599 W HN 0.431 nan 8.180 nan 0.000 0.427 600 V N 2.735 122.824 119.914 0.292 0.000 3.262 600 V HA 0.800 5.014 4.120 0.156 0.000 0.313 600 V C 0.276 176.444 176.094 0.123 0.000 1.070 600 V CA -1.161 61.226 62.300 0.144 0.000 1.049 600 V CB 1.475 33.355 31.823 0.094 0.000 1.157 600 V HN 0.527 nan 8.190 nan 0.000 0.454 601 A N 1.895 124.728 122.820 0.021 0.000 2.969 601 A HA 0.563 4.977 4.320 0.156 0.000 0.303 601 A C -0.715 176.807 177.584 -0.103 0.000 1.198 601 A CA -0.523 51.488 52.037 -0.045 0.000 0.819 601 A CB -0.016 18.964 19.000 -0.033 0.000 1.385 601 A HN 0.671 nan 8.150 nan 0.000 0.479 602 L N 0.680 121.851 121.223 -0.087 0.000 2.476 602 L HA 0.572 5.006 4.340 0.156 0.000 0.264 602 L C 0.781 177.551 176.870 -0.166 0.000 1.224 602 L CA 0.155 54.932 54.840 -0.104 0.000 0.821 602 L CB 0.827 42.841 42.059 -0.075 0.000 1.101 602 L HN 0.865 nan 8.230 nan 0.000 0.488 603 A N 1.429 124.184 122.820 -0.108 0.000 2.475 603 A HA 0.562 4.976 4.320 0.156 0.000 0.300 603 A C -0.482 177.069 177.584 -0.054 0.000 1.089 603 A CA -0.293 51.762 52.037 0.030 0.000 0.948 603 A CB 0.417 19.519 19.000 0.170 0.000 1.508 603 A HN 0.729 nan 8.150 nan 0.000 0.385 604 A N 2.448 125.066 122.820 -0.336 0.000 2.650 604 A HA 0.588 5.002 4.320 0.156 0.000 0.320 604 A C 0.306 177.647 177.584 -0.404 0.000 1.466 604 A CA -0.186 51.437 52.037 -0.691 0.000 1.099 604 A CB -0.389 17.413 19.000 -1.997 0.000 1.136 604 A HN 1.198 nan 8.150 nan 0.000 0.532 605 V N 1.626 121.548 119.914 0.014 0.000 3.003 605 V HA 0.079 4.293 4.120 0.156 0.000 0.305 605 V C 0.590 177.005 176.094 0.535 0.000 1.078 605 V CA -0.415 62.016 62.300 0.217 0.000 1.083 605 V CB 1.232 33.214 31.823 0.265 0.000 1.039 605 V HN 0.843 nan 8.190 nan 0.000 0.481 606 D N 1.500 122.249 120.400 0.580 0.000 2.374 606 D HA 0.101 4.835 4.640 0.156 0.000 0.240 606 D C 1.375 177.838 176.300 0.271 0.000 1.229 606 D CA 0.345 54.635 54.000 0.483 0.000 0.895 606 D CB 0.928 41.944 40.800 0.360 0.000 1.046 606 D HN 0.629 nan 8.370 nan 0.000 0.498 607 S N 2.846 118.709 115.700 0.271 0.000 2.512 607 S HA -0.256 4.308 4.470 0.156 0.000 0.253 607 S C 1.959 176.695 174.600 0.226 0.000 0.984 607 S CA 0.720 59.090 58.200 0.282 0.000 0.962 607 S CB -0.344 62.983 63.200 0.212 0.000 0.747 607 S HN 0.493 nan 8.310 nan 0.000 0.525 608 A N 2.938 125.874 122.820 0.195 0.000 1.873 608 A HA -0.011 4.402 4.320 0.156 0.000 0.218 608 A C 2.505 180.227 177.584 0.230 0.000 1.193 608 A CA 2.283 54.476 52.037 0.260 0.000 0.629 608 A CB -1.692 17.541 19.000 0.389 0.000 0.826 608 A HN 1.227 nan 8.150 nan 0.000 0.447 609 V N -1.442 118.444 119.914 -0.047 0.000 2.265 609 V HA -0.437 3.777 4.120 0.156 0.000 0.247 609 V C 2.035 177.942 176.094 -0.312 0.000 1.024 609 V CA 2.437 64.379 62.300 -0.597 0.000 1.038 609 V CB -2.031 29.221 31.823 -0.952 0.000 0.675 609 V HN 0.608 nan 8.190 nan 0.000 0.485 610 Y N 2.339 122.584 120.300 -0.093 0.000 1.921 610 Y HA 0.172 4.815 4.550 0.155 0.000 0.213 610 Y C 2.573 178.468 175.900 -0.007 0.000 1.016 610 Y CA 2.308 60.381 58.100 -0.045 0.000 0.984 610 Y CB -1.786 36.658 38.460 -0.026 0.000 0.901 610 Y HN 0.968 nan 8.280 nan 0.000 0.535 611 G N -0.618 108.320 108.800 0.231 0.000 2.950 611 G HA2 -0.361 3.693 3.960 0.156 0.000 0.299 611 G HA3 -0.361 3.693 3.960 0.156 0.000 0.299 611 G C -0.007 174.943 174.900 0.084 0.000 1.310 611 G CA 0.914 46.095 45.100 0.135 0.000 0.994 611 G HN 1.130 nan 8.290 nan 0.000 0.575 612 V N -0.618 119.337 119.914 0.068 0.000 2.546 612 V HA 0.372 4.586 4.120 0.156 0.000 0.279 612 V C 0.714 176.832 176.094 0.040 0.000 0.968 612 V CA 1.946 64.272 62.300 0.042 0.000 1.157 612 V CB -0.374 31.470 31.823 0.035 0.000 0.938 612 V HN 1.933 nan 8.190 nan 0.000 0.464 613 Q N 2.295 122.115 119.800 0.033 0.000 2.430 613 Q HA -0.253 4.181 4.340 0.156 0.000 0.365 613 Q C 0.337 176.364 176.000 0.045 0.000 1.399 613 Q CA 1.115 56.939 55.803 0.034 0.000 1.050 613 Q CB -0.569 28.185 28.738 0.027 0.000 1.201 613 Q HN 1.029 nan 8.270 nan 0.000 0.320 614 R N 2.487 123.015 120.500 0.046 0.000 2.605 614 R HA 0.263 4.697 4.340 0.156 0.000 0.271 614 R C 0.591 176.908 176.300 0.029 0.000 1.418 614 R CA 0.660 56.788 56.100 0.046 0.000 1.102 614 R CB -0.182 30.136 30.300 0.030 0.000 1.131 614 R HN 0.585 nan 8.270 nan 0.000 0.554 615 G N 2.651 111.474 108.800 0.039 0.000 2.281 615 G HA2 -0.160 3.894 3.960 0.156 0.000 0.236 615 G HA3 -0.160 3.894 3.960 0.156 0.000 0.236 615 G C 1.076 175.994 174.900 0.030 0.000 1.053 615 G CA 0.170 45.295 45.100 0.042 0.000 0.874 615 G HN 0.847 nan 8.290 nan 0.000 0.450 616 A N 3.095 125.938 122.820 0.038 0.000 1.863 616 A HA -0.165 4.249 4.320 0.156 0.000 0.218 616 A C 2.296 179.894 177.584 0.023 0.000 1.233 616 A CA 2.839 54.894 52.037 0.030 0.000 0.655 616 A CB -0.849 18.175 19.000 0.040 0.000 0.839 616 A HN 1.370 nan 8.150 nan 0.000 0.454 617 K N -2.518 117.902 120.400 0.034 0.000 1.749 617 K HA -0.253 4.161 4.320 0.156 0.000 0.124 617 K C -0.229 176.384 176.600 0.023 0.000 0.981 617 K CA 2.373 58.678 56.287 0.031 0.000 0.341 617 K CB -0.570 31.946 32.500 0.026 0.000 0.657 617 K HN 0.580 nan 8.250 nan 0.000 0.879 618 K N -1.297 119.110 120.400 0.011 0.000 2.639 618 K HA 0.221 4.635 4.320 0.156 0.000 0.279 618 K C -2.361 174.226 176.600 -0.022 0.000 0.976 618 K CA -0.642 55.648 56.287 0.005 0.000 0.861 618 K CB 1.497 34.014 32.500 0.028 0.000 1.436 618 K HN 0.228 nan 8.250 nan 0.000 0.400 619 P HA 0.009 nan 4.420 nan 0.000 0.209 619 P C 1.323 178.584 177.300 -0.064 0.000 1.201 619 P CA 0.307 63.364 63.100 -0.071 0.000 0.911 619 P CB 0.245 31.903 31.700 -0.070 0.000 0.758 620 L N -0.066 121.143 121.223 -0.024 0.000 2.313 620 L HA 0.010 4.444 4.340 0.156 0.000 0.214 620 L C 2.116 179.036 176.870 0.083 0.000 1.119 620 L CA 1.628 56.468 54.840 -0.001 0.000 0.809 620 L CB -1.077 41.014 42.059 0.052 0.000 0.933 620 L HN -0.036 nan 8.230 nan 0.000 0.449 621 E N -0.325 119.939 120.200 0.106 0.000 2.152 621 E HA -0.272 4.172 4.350 0.156 0.000 0.192 621 E C 2.273 178.936 176.600 0.106 0.000 0.983 621 E CA 0.589 57.086 56.400 0.161 0.000 0.818 621 E CB -0.111 29.653 29.700 0.105 0.000 0.758 621 E HN 0.510 nan 8.360 nan 0.000 0.467 622 R N 0.172 120.685 120.500 0.023 0.000 2.159 622 R HA -0.236 4.198 4.340 0.156 0.000 0.249 622 R C 2.254 178.532 176.300 -0.037 0.000 1.136 622 R CA 2.327 58.416 56.100 -0.019 0.000 0.951 622 R CB -0.440 29.811 30.300 -0.083 0.000 0.876 622 R HN 0.149 nan 8.270 nan 0.000 0.440 623 V N -0.141 119.694 119.914 -0.133 0.000 2.255 623 V HA -0.211 4.003 4.120 0.156 0.000 0.243 623 V C 2.022 178.124 176.094 0.013 0.000 1.038 623 V CA 1.964 64.127 62.300 -0.229 0.000 1.008 623 V CB -0.562 30.971 31.823 -0.482 0.000 0.645 623 V HN 0.330 nan 8.190 nan 0.000 0.449 624 F N 0.129 120.081 119.950 0.003 0.000 2.236 624 F HA -0.273 4.350 4.527 0.160 0.000 0.302 624 F C 2.523 178.365 175.800 0.070 0.000 1.073 624 F CA 1.489 59.515 58.000 0.042 0.000 1.336 624 F CB -0.028 38.989 39.000 0.030 0.000 1.040 624 F HN 0.275 nan 8.300 nan 0.000 0.507 625 Q N -0.191 119.767 119.800 0.264 0.000 1.809 625 Q HA -0.229 4.205 4.340 0.156 0.000 0.269 625 Q C 2.065 178.186 176.000 0.200 0.000 0.984 625 Q CA 1.827 57.749 55.803 0.199 0.000 0.885 625 Q CB -0.991 27.843 28.738 0.159 0.000 0.933 625 Q HN 0.394 nan 8.270 nan 0.000 0.422 626 F N 1.792 121.778 119.950 0.060 0.000 2.077 626 F HA -0.371 4.247 4.527 0.151 0.000 0.292 626 F C 2.173 177.982 175.800 0.016 0.000 1.120 626 F CA 2.161 60.197 58.000 0.060 0.000 1.246 626 F CB -0.675 38.377 39.000 0.086 0.000 0.941 626 F HN 0.187 nan 8.300 nan 0.000 0.514 627 L N 0.656 122.036 121.223 0.261 0.000 2.283 627 L HA -0.230 4.204 4.340 0.156 0.000 0.217 627 L C 1.144 177.867 176.870 -0.245 0.000 1.104 627 L CA 2.096 56.906 54.840 -0.050 0.000 0.772 627 L CB -0.710 41.413 42.059 0.106 0.000 0.899 627 L HN 0.610 nan 8.230 nan 0.000 0.439 628 E N -1.769 118.399 120.200 -0.053 0.000 3.351 628 E HA 0.118 4.562 4.350 0.156 0.000 0.220 628 E C 0.143 176.737 176.600 -0.009 0.000 1.150 628 E CA -0.528 55.878 56.400 0.011 0.000 1.359 628 E CB 0.409 30.199 29.700 0.150 0.000 1.365 628 E HN 0.094 nan 8.360 nan 0.000 0.434 629 K N 0.439 120.765 120.400 -0.124 0.000 2.372 629 K HA 0.058 4.472 4.320 0.156 0.000 0.200 629 K C 1.241 177.832 176.600 -0.014 0.000 1.022 629 K CA 0.282 56.522 56.287 -0.079 0.000 1.125 629 K CB 0.637 33.039 32.500 -0.164 0.000 0.855 629 K HN 0.372 nan 8.250 nan 0.000 0.524 630 S N -0.464 115.252 115.700 0.027 0.000 2.603 630 S HA 0.011 4.575 4.470 0.156 0.000 0.220 630 S C 0.320 174.975 174.600 0.091 0.000 0.967 630 S CA -0.307 57.956 58.200 0.104 0.000 0.920 630 S CB -0.352 62.975 63.200 0.211 0.000 0.773 630 S HN 0.125 nan 8.310 nan 0.000 0.529 631 D N 1.243 121.696 120.400 0.088 0.000 2.348 631 D HA 0.274 5.008 4.640 0.156 0.000 0.259 631 D C 1.073 177.424 176.300 0.085 0.000 1.296 631 D CA -0.075 53.992 54.000 0.112 0.000 0.931 631 D CB 0.300 41.197 40.800 0.162 0.000 1.067 631 D HN 0.191 nan 8.370 nan 0.000 0.503 632 L N 2.779 124.047 121.223 0.077 0.000 2.017 632 L HA 0.042 4.476 4.340 0.156 0.000 0.208 632 L C 1.943 178.858 176.870 0.075 0.000 1.073 632 L CA 0.979 55.855 54.840 0.059 0.000 0.745 632 L CB -0.798 41.283 42.059 0.037 0.000 0.894 632 L HN 0.435 nan 8.230 nan 0.000 0.432 633 G N -1.860 106.998 108.800 0.097 0.000 2.447 633 G HA2 0.264 4.318 3.960 0.156 0.000 0.269 633 G HA3 0.264 4.318 3.960 0.156 0.000 0.269 633 G C -0.763 174.187 174.900 0.082 0.000 1.455 633 G CA 0.271 45.436 45.100 0.107 0.000 1.061 633 G HN 0.363 nan 8.290 nan 0.000 0.545 634 c N -3.211 115.436 118.600 0.078 0.000 3.292 634 c HA 0.761 5.425 4.570 0.156 0.000 0.338 634 c C 0.327 174.441 174.090 0.039 0.000 1.323 634 c CA 1.248 57.596 56.329 0.033 0.000 1.232 634 c CB 0.625 43.139 42.510 0.006 0.000 1.517 634 c HN 2.628 nan 8.230 nan 0.000 0.470 635 G N 1.369 110.153 108.800 -0.027 0.000 2.549 635 G HA2 0.424 4.478 3.960 0.156 0.000 0.404 635 G HA3 0.424 4.478 3.960 0.156 0.000 0.404 635 G C 0.510 175.392 174.900 -0.030 0.000 1.292 635 G CA 0.250 45.344 45.100 -0.009 0.000 0.935 635 G HN 2.242 nan 8.290 nan 0.000 0.512 636 A N -0.760 122.082 122.820 0.037 0.000 2.123 636 A HA 0.666 5.080 4.320 0.156 0.000 0.214 636 A C 1.919 179.633 177.584 0.217 0.000 1.152 636 A CA 2.230 54.337 52.037 0.118 0.000 0.728 636 A CB -0.553 18.501 19.000 0.090 0.000 0.814 636 A HN 2.853 nan 8.150 nan 0.000 0.464 637 G N -3.252 105.665 108.800 0.195 0.000 2.340 637 G HA2 0.505 4.559 3.960 0.156 0.000 0.527 637 G HA3 0.505 4.559 3.960 0.156 0.000 0.527 637 G C 0.351 175.382 174.900 0.219 0.000 1.381 637 G CA -0.162 45.058 45.100 0.200 0.000 1.001 637 G HN 2.118 nan 8.290 nan 0.000 0.626 638 G N -1.018 107.865 108.800 0.139 0.000 3.222 638 G HA2 0.443 4.496 3.960 0.156 0.000 0.685 638 G HA3 0.443 4.496 3.960 0.156 0.000 0.685 638 G C 1.063 175.977 174.900 0.023 0.000 1.498 638 G CA 0.945 46.097 45.100 0.086 0.000 1.195 638 G HN 2.241 nan 8.290 nan 0.000 0.602 639 G N -0.608 108.013 108.800 -0.298 0.000 3.434 639 G HA2 0.654 4.708 3.960 0.156 0.000 0.192 639 G HA3 0.654 4.708 3.960 0.156 0.000 0.192 639 G C 0.826 174.977 174.900 -1.248 0.000 1.704 639 G CA 0.718 45.373 45.100 -0.741 0.000 0.936 639 G HN 1.516 nan 8.290 nan 0.000 0.623 640 L N -0.790 119.895 121.223 -0.896 0.000 3.503 640 L HA 0.432 4.866 4.340 0.156 0.000 0.327 640 L C -0.844 175.675 176.870 -0.584 0.000 1.108 640 L CA 0.108 54.534 54.840 -0.690 0.000 1.214 640 L CB -0.186 41.562 42.059 -0.519 0.000 1.806 640 L HN 0.475 nan 8.230 nan 0.000 0.610 641 N N -0.440 117.865 118.700 -0.659 0.000 2.331 641 N HA 0.161 4.995 4.740 0.156 0.000 0.280 641 N C 0.257 175.451 175.510 -0.528 0.000 1.155 641 N CA -0.183 52.541 53.050 -0.543 0.000 0.822 641 N CB 0.761 39.145 38.487 -0.172 0.000 1.619 641 N HN -0.022 nan 8.380 nan 0.000 0.476 642 N N 0.842 119.353 118.700 -0.315 0.000 2.184 642 N HA -0.267 4.566 4.740 0.156 0.000 0.190 642 N C 1.287 176.782 175.510 -0.025 0.000 1.011 642 N CA 1.557 54.562 53.050 -0.075 0.000 0.867 642 N CB 0.164 38.740 38.487 0.148 0.000 0.993 642 N HN 0.622 nan 8.380 nan 0.000 0.433 643 A N 1.334 124.165 122.820 0.017 0.000 1.835 643 A HA -0.226 4.188 4.320 0.156 0.000 0.215 643 A C 2.040 179.668 177.584 0.074 0.000 1.199 643 A CA 1.759 53.878 52.037 0.136 0.000 0.615 643 A CB -1.340 17.768 19.000 0.180 0.000 0.838 643 A HN 0.629 nan 8.150 nan 0.000 0.444 644 N N -0.387 118.285 118.700 -0.047 0.000 2.060 644 N HA -0.188 4.646 4.740 0.156 0.000 0.195 644 N C 1.636 177.086 175.510 -0.100 0.000 1.028 644 N CA 1.911 54.910 53.050 -0.086 0.000 0.861 644 N CB -0.195 38.135 38.487 -0.261 0.000 1.029 644 N HN 0.213 nan 8.380 nan 0.000 0.428 645 V N 0.208 119.987 119.914 -0.223 0.000 2.332 645 V HA -0.234 3.980 4.120 0.156 0.000 0.248 645 V C 1.826 177.819 176.094 -0.168 0.000 1.055 645 V CA 1.720 63.888 62.300 -0.221 0.000 1.038 645 V CB -0.869 30.782 31.823 -0.288 0.000 0.651 645 V HN 0.327 nan 8.190 nan 0.000 0.450 646 F N -0.942 118.888 119.950 -0.200 0.000 2.234 646 F HA -0.130 4.490 4.527 0.156 0.000 0.299 646 F C 2.485 178.256 175.800 -0.048 0.000 1.087 646 F CA 1.700 59.560 58.000 -0.234 0.000 1.340 646 F CB -0.259 38.323 39.000 -0.696 0.000 1.031 646 F HN 0.220 nan 8.300 nan 0.000 0.500 647 H N 0.585 119.717 119.070 0.103 0.000 2.312 647 H HA -0.113 4.536 4.556 0.156 0.000 0.299 647 H C 2.308 177.659 175.328 0.039 0.000 1.051 647 H CA 1.830 57.922 56.048 0.073 0.000 1.227 647 H CB -0.844 28.939 29.762 0.035 0.000 1.389 647 H HN 0.138 nan 8.280 nan 0.000 0.524 648 L N 0.699 122.029 121.223 0.178 0.000 2.369 648 L HA -0.219 4.215 4.340 0.156 0.000 0.220 648 L C 2.530 179.466 176.870 0.110 0.000 1.119 648 L CA 1.010 55.903 54.840 0.088 0.000 0.780 648 L CB -0.447 41.637 42.059 0.042 0.000 0.906 648 L HN 0.350 nan 8.230 nan 0.000 0.442 649 A N -0.572 122.312 122.820 0.106 0.000 2.216 649 A HA 0.138 4.552 4.320 0.156 0.000 0.214 649 A C 1.893 179.546 177.584 0.115 0.000 1.160 649 A CA 0.866 52.957 52.037 0.090 0.000 0.725 649 A CB -0.667 18.360 19.000 0.045 0.000 0.784 649 A HN 0.555 nan 8.150 nan 0.000 0.472 650 G N -1.772 107.110 108.800 0.137 0.000 2.153 650 G HA2 -0.230 3.824 3.960 0.156 0.000 0.252 650 G HA3 -0.230 3.824 3.960 0.156 0.000 0.252 650 G C 0.093 175.032 174.900 0.066 0.000 0.994 650 G CA 0.635 45.799 45.100 0.106 0.000 0.698 650 G HN 0.462 nan 8.290 nan 0.000 0.521 651 L N -0.941 120.340 121.223 0.096 0.000 2.331 651 L HA 0.896 5.330 4.340 0.156 0.000 0.268 651 L C 0.496 177.374 176.870 0.014 0.000 1.015 651 L CA -0.753 54.133 54.840 0.077 0.000 0.807 651 L CB 2.270 44.458 42.059 0.215 0.000 1.293 651 L HN 0.156 nan 8.230 nan 0.000 0.451 652 T N 0.423 114.965 114.554 -0.020 0.000 2.916 652 T HA 0.654 5.098 4.350 0.156 0.000 0.305 652 T C -1.183 173.538 174.700 0.036 0.000 1.119 652 T CA -0.434 61.704 62.100 0.063 0.000 1.008 652 T CB 1.084 69.853 68.868 -0.165 0.000 1.129 652 T HN 0.354 nan 8.240 nan 0.000 0.480 653 F N 1.903 121.615 119.950 -0.397 0.000 2.598 653 F HA 0.884 5.504 4.527 0.156 0.000 0.327 653 F C -1.098 174.470 175.800 -0.387 0.000 1.057 653 F CA -1.477 56.241 58.000 -0.470 0.000 0.957 653 F CB 1.013 39.453 39.000 -0.935 0.000 1.278 653 F HN 0.274 nan 8.300 nan 0.000 0.484 654 L N 2.147 123.152 121.223 -0.364 0.000 2.356 654 L HA 0.533 4.967 4.340 0.156 0.000 0.264 654 L C -0.930 175.690 176.870 -0.418 0.000 1.029 654 L CA -0.129 54.460 54.840 -0.419 0.000 0.897 654 L CB 0.497 42.379 42.059 -0.296 0.000 1.256 654 L HN 0.834 nan 8.230 nan 0.000 0.444 655 T N 2.846 117.147 114.554 -0.422 0.000 3.011 655 T HA 0.343 4.787 4.350 0.156 0.000 0.303 655 T C -0.240 174.383 174.700 -0.128 0.000 0.997 655 T CA -0.612 61.341 62.100 -0.244 0.000 1.007 655 T CB 1.166 69.996 68.868 -0.065 0.000 1.017 655 T HN 0.360 nan 8.240 nan 0.000 0.443 656 N N 2.007 120.762 118.700 0.091 0.000 2.401 656 N HA 0.485 5.319 4.740 0.156 0.000 0.255 656 N C 0.577 176.129 175.510 0.069 0.000 1.110 656 N CA -0.186 52.926 53.050 0.102 0.000 0.949 656 N CB 0.826 39.372 38.487 0.099 0.000 1.110 656 N HN 0.792 nan 8.380 nan 0.000 0.490 657 A N 3.334 126.155 122.820 0.001 0.000 3.540 657 A HA -0.016 4.398 4.320 0.156 0.000 0.195 657 A C -0.297 177.285 177.584 -0.005 0.000 1.308 657 A CA -0.223 51.809 52.037 -0.008 0.000 1.221 657 A CB -0.179 18.826 19.000 0.009 0.000 0.893 657 A HN 0.581 nan 8.150 nan 0.000 0.419 658 N N -0.510 118.196 118.700 0.010 0.000 2.402 658 N HA 0.594 5.428 4.740 0.156 0.000 0.294 658 N C -0.240 175.265 175.510 -0.009 0.000 1.203 658 N CA -0.208 52.859 53.050 0.028 0.000 0.838 658 N CB 1.724 40.265 38.487 0.090 0.000 1.306 658 N HN 0.608 nan 8.380 nan 0.000 0.510 659 A N 1.257 124.080 122.820 0.004 0.000 2.655 659 A HA 0.039 4.452 4.320 0.156 0.000 0.297 659 A C -0.010 177.535 177.584 -0.065 0.000 1.461 659 A CA -0.167 51.846 52.037 -0.040 0.000 1.146 659 A CB -0.931 18.064 19.000 -0.010 0.000 1.108 659 A HN 0.755 nan 8.150 nan 0.000 0.550 660 D N 1.590 121.782 120.400 -0.346 0.000 2.370 660 D HA -0.029 4.705 4.640 0.156 0.000 0.256 660 D C 0.443 176.426 176.300 -0.528 0.000 1.197 660 D CA 0.476 53.881 54.000 -0.992 0.000 0.922 660 D CB -0.433 39.195 40.800 -1.952 0.000 0.911 660 D HN 0.762 nan 8.370 nan 0.000 0.517 661 D N 0.185 120.475 120.400 -0.183 0.000 2.113 661 D HA 0.105 4.838 4.640 0.156 0.000 0.255 661 D C -0.082 176.188 176.300 -0.051 0.000 1.225 661 D CA -0.040 53.895 54.000 -0.108 0.000 0.972 661 D CB 0.142 40.916 40.800 -0.043 0.000 1.208 661 D HN 0.049 nan 8.370 nan 0.000 0.526 662 S N -3.219 112.477 115.700 -0.006 0.000 3.108 662 S HA 0.019 4.583 4.470 0.156 0.000 0.130 662 S C -1.050 173.636 174.600 0.143 0.000 0.834 662 S CA -1.084 57.155 58.200 0.064 0.000 0.840 662 S CB -0.539 62.474 63.200 -0.312 0.000 1.527 662 S HN 0.467 nan 8.310 nan 0.000 0.610 663 Q N 2.729 122.602 119.800 0.122 0.000 3.834 663 Q HA -0.144 4.290 4.340 0.156 0.000 0.400 663 Q C 1.153 177.193 176.000 0.067 0.000 1.021 663 Q CA 1.786 57.632 55.803 0.071 0.000 1.277 663 Q CB -0.667 28.099 28.738 0.047 0.000 1.112 663 Q HN 0.896 nan 8.270 nan 0.000 0.497 664 E N 0.563 120.790 120.200 0.046 0.000 4.120 664 E HA -0.358 4.086 4.350 0.156 0.000 0.191 664 E C 0.622 177.247 176.600 0.042 0.000 1.227 664 E CA 1.687 58.112 56.400 0.041 0.000 2.327 664 E CB -0.888 28.833 29.700 0.034 0.000 1.820 664 E HN 0.775 nan 8.360 nan 0.000 0.383 665 N N 0.904 119.632 118.700 0.047 0.000 2.241 665 N HA 0.049 4.883 4.740 0.156 0.000 0.124 665 N C -1.406 174.137 175.510 0.055 0.000 1.667 665 N CA 0.693 53.764 53.050 0.034 0.000 1.183 665 N CB 1.299 39.803 38.487 0.028 0.000 1.254 665 N HN 0.241 nan 8.380 nan 0.000 0.290 666 D N 0.889 121.323 120.400 0.057 0.000 2.914 666 D HA 0.018 4.752 4.640 0.156 0.000 0.236 666 D C -1.370 174.950 176.300 0.033 0.000 1.405 666 D CA -0.221 53.841 54.000 0.104 0.000 0.900 666 D CB -0.575 40.297 40.800 0.120 0.000 1.518 666 D HN 0.453 nan 8.370 nan 0.000 0.548 667 E N 0.056 120.243 120.200 -0.022 0.000 2.055 667 E HA -0.190 4.253 4.350 0.156 0.000 0.251 667 E C -1.906 174.679 176.600 -0.025 0.000 1.718 667 E CA 0.089 56.454 56.400 -0.058 0.000 0.881 667 E CB -1.062 28.546 29.700 -0.153 0.000 0.890 667 E HN 0.362 nan 8.360 nan 0.000 0.319 668 P HA -0.012 nan 4.420 nan 0.000 0.301 668 P C 0.540 177.833 177.300 -0.010 0.000 1.560 668 P CA -0.220 62.877 63.100 -0.006 0.000 0.784 668 P CB -0.383 31.315 31.700 -0.002 0.000 1.715 669 c N 1.121 119.710 118.600 -0.018 0.000 2.354 669 c HA -0.042 4.622 4.570 0.156 0.000 0.388 669 c C 0.822 174.902 174.090 -0.016 0.000 1.441 669 c CA 0.551 56.868 56.329 -0.020 0.000 1.562 669 c CB -1.180 41.318 42.510 -0.020 0.000 2.552 669 c HN 0.312 nan 8.230 nan 0.000 0.583 670 K N 3.897 124.284 120.400 -0.021 0.000 2.834 670 K HA 0.299 4.713 4.320 0.156 0.000 0.259 670 K C -0.193 176.390 176.600 -0.027 0.000 1.158 670 K CA 0.119 56.395 56.287 -0.019 0.000 1.068 670 K CB -0.215 32.278 32.500 -0.012 0.000 1.324 670 K HN 0.859 nan 8.250 nan 0.000 0.552 671 E N 2.960 123.135 120.200 -0.042 0.000 2.372 671 E HA -0.227 4.217 4.350 0.156 0.000 0.254 671 E C 0.115 176.684 176.600 -0.053 0.000 1.102 671 E CA 0.723 57.091 56.400 -0.054 0.000 0.740 671 E CB -1.094 28.587 29.700 -0.032 0.000 1.292 671 E HN 0.662 nan 8.360 nan 0.000 0.394 672 I N 0.736 121.267 120.570 -0.064 0.000 3.956 672 I HA 0.129 4.393 4.170 0.156 0.000 0.333 672 I C 1.028 177.095 176.117 -0.084 0.000 1.302 672 I CA -0.235 61.039 61.300 -0.043 0.000 1.122 672 I CB 0.312 38.297 38.000 -0.026 0.000 1.013 672 I HN 0.264 nan 8.210 nan 0.000 0.405 680 Q N 1.892 121.706 119.800 0.023 0.000 2.403 680 Q HA 0.043 4.477 4.340 0.156 0.000 0.203 680 Q C 1.032 177.046 176.000 0.024 0.000 0.932 680 Q CA 0.836 56.651 55.803 0.019 0.000 0.945 680 Q CB 0.344 29.103 28.738 0.036 0.000 1.045 680 Q HN 0.496 nan 8.270 nan 0.000 0.511 681 K N 0.640 121.060 120.400 0.034 0.000 2.186 681 K HA -0.053 4.361 4.320 0.156 0.000 0.202 681 K C 1.920 178.540 176.600 0.034 0.000 1.052 681 K CA 1.042 57.355 56.287 0.043 0.000 0.965 681 K CB 0.101 32.628 32.500 0.044 0.000 0.746 681 K HN -0.001 nan 8.250 nan 0.000 0.457 682 K N 2.242 122.656 120.400 0.023 0.000 2.211 682 K HA -0.097 4.317 4.320 0.156 0.000 0.204 682 K C 1.486 178.097 176.600 0.018 0.000 1.047 682 K CA 1.326 57.624 56.287 0.018 0.000 0.935 682 K CB -0.199 32.308 32.500 0.011 0.000 0.728 682 K HN 0.194 nan 8.250 nan 0.000 0.452 683 I N -0.180 120.399 120.570 0.016 0.000 2.585 683 I HA -0.035 4.229 4.170 0.156 0.000 0.254 683 I C 1.727 177.869 176.117 0.042 0.000 1.129 683 I CA 0.626 61.935 61.300 0.015 0.000 1.455 683 I CB -0.283 37.709 38.000 -0.014 0.000 1.111 683 I HN 0.110 nan 8.210 nan 0.000 0.433 684 E N 1.642 121.876 120.200 0.056 0.000 2.472 684 E HA -0.196 4.248 4.350 0.156 0.000 0.200 684 E C 1.849 178.497 176.600 0.079 0.000 1.046 684 E CA 0.845 57.303 56.400 0.098 0.000 0.871 684 E CB -0.032 29.741 29.700 0.122 0.000 0.806 684 E HN 0.648 nan 8.360 nan 0.000 0.533 685 E N 0.962 121.196 120.200 0.057 0.000 2.107 685 E HA -0.149 4.295 4.350 0.156 0.000 0.191 685 E C 1.492 178.122 176.600 0.051 0.000 0.982 685 E CA 0.692 57.120 56.400 0.046 0.000 0.809 685 E CB -0.129 29.591 29.700 0.035 0.000 0.756 685 E HN 0.160 nan 8.360 nan 0.000 0.459 686 I N 1.909 122.512 120.570 0.056 0.000 3.555 686 I HA 0.007 4.271 4.170 0.156 0.000 0.304 686 I C 1.765 177.932 176.117 0.083 0.000 1.246 686 I CA 0.476 61.812 61.300 0.061 0.000 1.220 686 I CB -1.463 36.568 38.000 0.053 0.000 1.001 686 I HN 0.139 nan 8.210 nan 0.000 0.513 687 A N 1.009 123.880 122.820 0.086 0.000 2.248 687 A HA 0.128 4.542 4.320 0.156 0.000 0.210 687 A C 2.418 180.065 177.584 0.104 0.000 1.174 687 A CA 1.048 53.142 52.037 0.096 0.000 0.750 687 A CB -0.231 18.808 19.000 0.064 0.000 0.780 687 A HN 0.426 nan 8.150 nan 0.000 0.478 688 A N 1.038 123.909 122.820 0.084 0.000 2.125 688 A HA -0.121 4.293 4.320 0.156 0.000 0.219 688 A C 1.797 179.436 177.584 0.092 0.000 1.156 688 A CA 1.427 53.513 52.037 0.081 0.000 0.671 688 A CB -0.418 18.615 19.000 0.055 0.000 0.794 688 A HN 0.683 nan 8.150 nan 0.000 0.459 689 K N -0.870 119.588 120.400 0.097 0.000 2.520 689 K HA 0.099 4.513 4.320 0.156 0.000 0.205 689 K C 0.010 176.669 176.600 0.099 0.000 1.035 689 K CA -0.635 55.700 56.287 0.081 0.000 1.188 689 K CB -0.445 32.097 32.500 0.071 0.000 0.894 689 K HN 0.376 nan 8.250 nan 0.000 0.497 690 Y N 3.505 123.822 120.300 0.029 0.000 2.610 690 Y HA -0.126 4.518 4.550 0.156 0.000 0.332 690 Y C 0.528 176.450 175.900 0.036 0.000 1.201 690 Y CA 0.455 58.570 58.100 0.025 0.000 1.465 690 Y CB 0.665 39.126 38.460 0.002 0.000 1.283 690 Y HN 0.305 nan 8.280 nan 0.000 0.563 691 K N 2.711 122.643 120.400 -0.780 0.000 2.524 691 K HA 0.143 4.557 4.320 0.156 0.000 0.181 691 K C -1.017 175.351 176.600 -0.388 0.000 1.665 691 K CA -0.355 55.534 56.287 -0.663 0.000 1.037 691 K CB -0.140 32.213 32.500 -0.245 0.000 1.476 691 K HN 0.721 nan 8.250 nan 0.000 0.583 692 H N -0.588 118.261 119.070 -0.369 0.000 2.961 692 H HA 0.118 4.768 4.556 0.156 0.000 0.278 692 H C 0.228 175.669 175.328 0.189 0.000 1.338 692 H CA 0.129 56.169 56.048 -0.013 0.000 1.373 692 H CB 1.446 31.192 29.762 -0.027 0.000 1.915 692 H HN -0.047 nan 8.280 nan 0.000 0.500 693 S N 1.041 116.470 115.700 -0.451 0.000 2.351 693 S HA -0.143 4.421 4.470 0.156 0.000 0.220 693 S C 1.716 176.204 174.600 -0.186 0.000 1.035 693 S CA 2.073 60.103 58.200 -0.284 0.000 1.031 693 S CB -0.393 62.587 63.200 -0.366 0.000 0.928 693 S HN 0.380 nan 8.310 nan 0.000 0.433 694 V N 1.755 121.516 119.914 -0.254 0.000 2.453 694 V HA -0.137 4.077 4.120 0.156 0.000 0.252 694 V C 2.458 178.616 176.094 0.107 0.000 1.068 694 V CA 1.738 64.065 62.300 0.044 0.000 1.070 694 V CB -0.838 31.122 31.823 0.229 0.000 0.664 694 V HN 0.461 nan 8.190 nan 0.000 0.461 695 V N 0.250 120.252 119.914 0.146 0.000 2.427 695 V HA -0.236 3.977 4.120 0.156 0.000 0.248 695 V C 2.484 178.655 176.094 0.129 0.000 1.051 695 V CA 2.126 64.508 62.300 0.136 0.000 1.048 695 V CB -0.660 31.241 31.823 0.130 0.000 0.666 695 V HN 0.602 nan 8.190 nan 0.000 0.456 696 K N 1.531 121.998 120.400 0.112 0.000 2.103 696 K HA -0.246 4.168 4.320 0.156 0.000 0.207 696 K C 2.001 178.667 176.600 0.110 0.000 1.048 696 K CA 1.981 58.327 56.287 0.098 0.000 0.930 696 K CB -0.366 32.149 32.500 0.025 0.000 0.716 696 K HN 0.295 nan 8.250 nan 0.000 0.444 697 K N -0.015 120.429 120.400 0.074 0.000 2.217 697 K HA -0.010 4.404 4.320 0.156 0.000 0.202 697 K C 1.637 178.326 176.600 0.148 0.000 1.051 697 K CA 1.439 57.785 56.287 0.099 0.000 0.952 697 K CB -0.488 32.040 32.500 0.047 0.000 0.736 697 K HN 0.332 nan 8.250 nan 0.000 0.453 698 c N -0.831 117.855 118.600 0.142 0.000 2.435 698 c HA -0.018 4.646 4.570 0.156 0.000 0.279 698 c C 2.841 177.105 174.090 0.290 0.000 1.321 698 c CA 0.403 56.832 56.329 0.166 0.000 1.752 698 c CB -1.070 41.521 42.510 0.136 0.000 1.959 698 c HN 0.680 nan 8.230 nan 0.000 0.500 699 c N -1.431 117.314 118.600 0.243 0.000 2.538 699 c HA 0.081 4.745 4.570 0.156 0.000 0.281 699 c C 2.421 176.645 174.090 0.222 0.000 1.320 699 c CA 0.247 56.710 56.329 0.224 0.000 1.714 699 c CB -1.308 41.308 42.510 0.178 0.000 2.095 699 c HN 0.653 nan 8.230 nan 0.000 0.497 700 Y N 2.504 122.861 120.300 0.095 0.000 2.059 700 Y HA -0.288 4.356 4.550 0.157 0.000 0.244 700 Y C 2.385 178.335 175.900 0.084 0.000 1.072 700 Y CA 2.591 60.733 58.100 0.071 0.000 1.055 700 Y CB -0.405 38.085 38.460 0.050 0.000 0.971 700 Y HN 0.515 nan 8.280 nan 0.000 0.487 701 D N -0.479 120.070 120.400 0.249 0.000 2.280 701 D HA -0.180 4.554 4.640 0.156 0.000 0.206 701 D C 2.056 178.479 176.300 0.205 0.000 0.988 701 D CA 1.231 55.328 54.000 0.163 0.000 0.886 701 D CB -1.373 39.526 40.800 0.165 0.000 0.914 701 D HN 0.510 nan 8.370 nan 0.000 0.473 702 G N 1.041 110.009 108.800 0.280 0.000 2.764 702 G HA2 -0.319 3.735 3.960 0.156 0.000 0.219 702 G HA3 -0.319 3.735 3.960 0.156 0.000 0.219 702 G C 1.807 176.717 174.900 0.017 0.000 1.259 702 G CA 2.157 47.499 45.100 0.404 0.000 0.793 702 G HN 0.592 nan 8.290 nan 0.000 0.633 703 A N -0.949 121.821 122.820 -0.084 0.000 1.969 703 A HA 0.042 4.456 4.320 0.156 0.000 0.218 703 A C 2.385 179.928 177.584 -0.069 0.000 1.169 703 A CA 1.642 53.593 52.037 -0.142 0.000 0.635 703 A CB -1.135 17.795 19.000 -0.116 0.000 0.810 703 A HN 0.846 nan 8.150 nan 0.000 0.445 704 C N -1.795 117.491 119.300 -0.024 0.000 2.141 704 C HA -0.312 4.241 4.460 0.156 0.000 0.212 704 C C 1.175 176.152 174.990 -0.021 0.000 1.080 704 C CA 2.392 61.398 59.018 -0.019 0.000 1.778 704 C CB -1.271 26.485 27.740 0.027 0.000 1.165 704 C HN 1.335 nan 8.230 nan 0.000 0.318 705 V N -1.011 118.903 119.914 0.001 0.000 3.138 705 V HA 0.428 4.642 4.120 0.156 0.000 0.307 705 V C -0.811 175.293 176.094 0.017 0.000 0.985 705 V CA -0.318 61.985 62.300 0.005 0.000 1.291 705 V CB 0.135 31.965 31.823 0.011 0.000 0.933 705 V HN 0.682 nan 8.190 nan 0.000 0.504 706 N N 3.189 121.897 118.700 0.014 0.000 2.479 706 N HA 0.461 5.295 4.740 0.156 0.000 0.261 706 N C 0.424 175.943 175.510 0.014 0.000 0.979 706 N CA -0.208 52.858 53.050 0.027 0.000 0.930 706 N CB 1.957 40.476 38.487 0.054 0.000 1.172 706 N HN 0.710 nan 8.380 nan 0.000 0.499 707 N N 0.984 119.694 118.700 0.015 0.000 2.184 707 N HA 0.096 4.930 4.740 0.156 0.000 0.206 707 N C -0.102 175.415 175.510 0.011 0.000 1.151 707 N CA -0.013 53.042 53.050 0.008 0.000 0.878 707 N CB 0.561 39.049 38.487 0.003 0.000 1.014 707 N HN 0.260 nan 8.380 nan 0.000 0.512 708 D N 0.755 121.168 120.400 0.021 0.000 2.339 708 D HA 0.060 4.794 4.640 0.156 0.000 0.217 708 D C -0.390 175.927 176.300 0.028 0.000 1.050 708 D CA 0.406 54.419 54.000 0.022 0.000 0.856 708 D CB 0.340 41.157 40.800 0.029 0.000 0.922 708 D HN 0.637 nan 8.370 nan 0.000 0.518 709 E N -1.792 118.427 120.200 0.031 0.000 2.400 709 E HA 0.216 4.660 4.350 0.156 0.000 0.285 709 E C -0.271 176.350 176.600 0.035 0.000 1.005 709 E CA -0.875 55.547 56.400 0.037 0.000 0.816 709 E CB 0.717 30.448 29.700 0.052 0.000 1.220 709 E HN -0.081 nan 8.360 nan 0.000 0.426 710 T N -1.310 113.263 114.554 0.031 0.000 2.616 710 T HA -0.031 4.413 4.350 0.156 0.000 0.327 710 T C 0.872 175.588 174.700 0.026 0.000 1.049 710 T CA 0.129 62.241 62.100 0.021 0.000 1.022 710 T CB 0.732 69.613 68.868 0.022 0.000 1.009 710 T HN 0.686 nan 8.240 nan 0.000 0.535 711 c N 0.956 119.555 118.600 -0.002 0.000 2.563 711 c HA 0.173 4.837 4.570 0.156 0.000 0.268 711 c C 2.350 176.474 174.090 0.058 0.000 1.365 711 c CA 0.486 56.792 56.329 -0.038 0.000 1.754 711 c CB -1.466 40.961 42.510 -0.138 0.000 1.932 711 c HN 0.978 nan 8.230 nan 0.000 0.536 712 E N -0.433 119.810 120.200 0.070 0.000 2.481 712 E HA -0.007 4.436 4.350 0.156 0.000 0.198 712 E C 1.557 178.220 176.600 0.105 0.000 1.027 712 E CA 0.074 56.537 56.400 0.106 0.000 0.900 712 E CB -0.177 29.564 29.700 0.070 0.000 0.993 712 E HN 0.635 nan 8.360 nan 0.000 0.482 713 Q N 1.259 121.115 119.800 0.095 0.000 2.020 713 Q HA -0.020 4.413 4.340 0.156 0.000 0.198 713 Q C 2.038 178.105 176.000 0.112 0.000 0.974 713 Q CA 1.181 57.035 55.803 0.086 0.000 0.829 713 Q CB -0.024 28.755 28.738 0.068 0.000 0.894 713 Q HN 0.177 nan 8.270 nan 0.000 0.433 714 R N 0.474 121.079 120.500 0.174 0.000 2.152 714 R HA -0.054 4.379 4.340 0.156 0.000 0.232 714 R C 1.989 178.415 176.300 0.211 0.000 1.117 714 R CA 1.118 57.358 56.100 0.233 0.000 0.981 714 R CB -0.248 30.305 30.300 0.421 0.000 0.870 714 R HN 0.162 nan 8.270 nan 0.000 0.451 715 A N 0.656 123.662 122.820 0.310 0.000 2.206 715 A HA 0.159 4.573 4.320 0.156 0.000 0.211 715 A C 2.077 179.705 177.584 0.073 0.000 1.158 715 A CA 1.015 53.187 52.037 0.225 0.000 0.761 715 A CB -0.240 18.965 19.000 0.341 0.000 0.801 715 A HN 0.360 nan 8.150 nan 0.000 0.473 716 A N 0.137 122.995 122.820 0.063 0.000 1.843 716 A HA -0.033 4.380 4.320 0.156 0.000 0.213 716 A C 2.063 179.647 177.584 0.000 0.000 1.202 716 A CA 1.187 53.244 52.037 0.033 0.000 0.607 716 A CB -0.477 18.546 19.000 0.039 0.000 0.847 716 A HN 0.416 nan 8.150 nan 0.000 0.445 717 R N -0.380 120.113 120.500 -0.012 0.000 2.417 717 R HA -0.002 4.432 4.340 0.156 0.000 0.220 717 R C -0.335 175.927 176.300 -0.064 0.000 1.128 717 R CA 0.183 56.262 56.100 -0.035 0.000 1.048 717 R CB -0.532 29.742 30.300 -0.044 0.000 0.835 717 R HN 0.502 nan 8.270 nan 0.000 0.483 718 I N 0.515 121.032 120.570 -0.090 0.000 2.379 718 I HA -0.080 4.184 4.170 0.156 0.000 0.290 718 I C 1.053 177.138 176.117 -0.053 0.000 1.063 718 I CA 0.053 61.280 61.300 -0.122 0.000 1.351 718 I CB 1.588 39.464 38.000 -0.207 0.000 1.410 718 I HN 0.127 nan 8.210 nan 0.000 0.505 719 S N 5.767 121.446 115.700 -0.036 0.000 2.460 719 S HA 0.093 4.657 4.470 0.156 0.000 0.185 719 S C 1.788 176.392 174.600 0.007 0.000 0.908 719 S CA 0.149 58.350 58.200 0.001 0.000 0.894 719 S CB -0.270 62.943 63.200 0.022 0.000 0.855 719 S HN 0.642 nan 8.310 nan 0.000 0.574 720 L N 0.996 122.228 121.223 0.014 0.000 2.463 720 L HA -0.220 4.214 4.340 0.156 0.000 0.225 720 L C 1.265 178.147 176.870 0.020 0.000 1.130 720 L CA 1.517 56.371 54.840 0.025 0.000 0.859 720 L CB -1.506 40.568 42.059 0.024 0.000 0.936 720 L HN 0.661 nan 8.230 nan 0.000 0.452 721 G N -4.341 104.466 108.800 0.011 0.000 2.405 721 G HA2 0.333 4.387 3.960 0.156 0.000 0.303 721 G HA3 0.333 4.387 3.960 0.156 0.000 0.303 721 G C -2.680 172.227 174.900 0.012 0.000 1.644 721 G CA -0.467 44.640 45.100 0.011 0.000 0.899 721 G HN -0.267 nan 8.290 nan 0.000 0.667 722 P HA -0.096 nan 4.420 nan 0.000 0.223 722 P C 1.868 179.184 177.300 0.027 0.000 1.144 722 P CA 0.759 63.873 63.100 0.023 0.000 0.783 722 P CB 0.136 31.848 31.700 0.020 0.000 0.771 723 R N -0.799 119.713 120.500 0.019 0.000 2.105 723 R HA -0.148 4.285 4.340 0.156 0.000 0.239 723 R C 2.411 178.735 176.300 0.041 0.000 1.135 723 R CA 1.753 57.864 56.100 0.020 0.000 0.967 723 R CB -1.569 28.732 30.300 0.003 0.000 0.861 723 R HN 0.372 nan 8.270 nan 0.000 0.442 724 c N -0.310 118.319 118.600 0.049 0.000 2.611 724 c HA 0.284 4.948 4.570 0.156 0.000 0.282 724 c C 2.378 176.530 174.090 0.103 0.000 1.321 724 c CA -0.552 55.823 56.329 0.076 0.000 1.747 724 c CB -0.491 42.062 42.510 0.072 0.000 2.124 724 c HN 0.406 nan 8.230 nan 0.000 0.531 725 I N 1.660 122.279 120.570 0.081 0.000 2.236 725 I HA -0.260 4.004 4.170 0.156 0.000 0.249 725 I C 2.745 178.966 176.117 0.173 0.000 1.102 725 I CA 1.842 63.216 61.300 0.123 0.000 1.365 725 I CB -0.570 37.478 38.000 0.081 0.000 1.051 725 I HN 0.457 nan 8.210 nan 0.000 0.420 726 K N 0.807 121.277 120.400 0.116 0.000 2.026 726 K HA -0.157 4.257 4.320 0.156 0.000 0.208 726 K C 2.190 178.860 176.600 0.115 0.000 1.048 726 K CA 1.612 57.958 56.287 0.099 0.000 0.929 726 K CB -0.224 32.316 32.500 0.066 0.000 0.713 726 K HN 0.328 nan 8.250 nan 0.000 0.439 727 A N 0.572 123.470 122.820 0.130 0.000 2.121 727 A HA -0.146 4.268 4.320 0.156 0.000 0.218 727 A C 1.741 179.441 177.584 0.195 0.000 1.154 727 A CA 0.876 52.996 52.037 0.138 0.000 0.679 727 A CB -0.422 18.659 19.000 0.136 0.000 0.795 727 A HN 0.276 nan 8.150 nan 0.000 0.458 728 F N 1.576 121.551 119.950 0.043 0.000 2.044 728 F HA -0.090 4.530 4.527 0.157 0.000 0.287 728 F C 2.703 178.521 175.800 0.030 0.000 1.155 728 F CA 2.271 60.294 58.000 0.039 0.000 1.152 728 F CB -0.990 38.032 39.000 0.037 0.000 1.013 728 F HN 0.252 nan 8.300 nan 0.000 0.478 729 T N -0.861 113.674 114.554 -0.031 0.000 2.849 729 T HA -0.176 4.267 4.350 0.156 0.000 0.270 729 T C 1.748 176.392 174.700 -0.093 0.000 1.066 729 T CA 1.397 63.416 62.100 -0.135 0.000 1.130 729 T CB -0.476 68.400 68.868 0.014 0.000 0.864 729 T HN 0.291 nan 8.240 nan 0.000 0.481 730 E N 0.623 120.805 120.200 -0.030 0.000 2.051 730 E HA -0.086 4.358 4.350 0.156 0.000 0.192 730 E C 2.449 179.022 176.600 -0.044 0.000 0.991 730 E CA 1.434 57.824 56.400 -0.017 0.000 0.799 730 E CB -0.335 29.376 29.700 0.018 0.000 0.748 730 E HN 0.628 nan 8.360 nan 0.000 0.449 731 c N -0.207 118.358 118.600 -0.057 0.000 2.533 731 c HA 0.082 4.746 4.570 0.156 0.000 0.272 731 c C 2.839 176.859 174.090 -0.117 0.000 1.371 731 c CA -0.613 55.682 56.329 -0.056 0.000 1.758 731 c CB -1.025 41.480 42.510 -0.008 0.000 1.972 731 c HN 0.541 nan 8.230 nan 0.000 0.522 732 c N 0.918 119.385 118.600 -0.221 0.000 2.476 732 c HA -0.042 4.621 4.570 0.156 0.000 0.278 732 c C 2.831 176.829 174.090 -0.153 0.000 1.274 732 c CA 1.399 57.576 56.329 -0.254 0.000 1.713 732 c CB -1.173 41.058 42.510 -0.465 0.000 2.039 732 c HN 0.475 nan 8.230 nan 0.000 0.484 733 V N 0.968 120.803 119.914 -0.131 0.000 2.282 733 V HA -0.224 3.990 4.120 0.156 0.000 0.249 733 V C 2.501 178.560 176.094 -0.058 0.000 1.057 733 V CA 2.450 64.703 62.300 -0.079 0.000 1.032 733 V CB -0.809 30.980 31.823 -0.058 0.000 0.645 733 V HN 0.531 nan 8.190 nan 0.000 0.447 734 V N 0.250 120.132 119.914 -0.053 0.000 2.324 734 V HA -0.301 3.913 4.120 0.156 0.000 0.250 734 V C 2.563 178.635 176.094 -0.037 0.000 1.060 734 V CA 2.286 64.565 62.300 -0.036 0.000 1.042 734 V CB -1.098 30.709 31.823 -0.027 0.000 0.650 734 V HN 0.596 nan 8.190 nan 0.000 0.450 735 A N -1.119 121.670 122.820 -0.051 0.000 2.123 735 A HA -0.039 4.375 4.320 0.156 0.000 0.214 735 A C 2.371 179.931 177.584 -0.041 0.000 1.152 735 A CA 1.423 53.433 52.037 -0.045 0.000 0.728 735 A CB -0.253 18.712 19.000 -0.059 0.000 0.814 735 A HN 0.504 nan 8.150 nan 0.000 0.464 736 S N 0.109 115.780 115.700 -0.049 0.000 2.388 736 S HA -0.100 4.464 4.470 0.156 0.000 0.223 736 S C 1.958 176.540 174.600 -0.030 0.000 1.034 736 S CA 0.911 59.087 58.200 -0.041 0.000 0.963 736 S CB -0.228 62.941 63.200 -0.050 0.000 0.827 736 S HN 0.639 nan 8.310 nan 0.000 0.481 737 Q N 0.992 120.775 119.800 -0.028 0.000 2.234 737 Q HA -0.038 4.396 4.340 0.156 0.000 0.206 737 Q C 2.098 178.088 176.000 -0.017 0.000 0.980 737 Q CA 0.738 56.529 55.803 -0.020 0.000 0.869 737 Q CB -0.678 28.049 28.738 -0.018 0.000 0.912 737 Q HN 0.420 nan 8.270 nan 0.000 0.436 738 L N 1.812 123.024 121.223 -0.018 0.000 2.072 738 L HA -0.124 4.310 4.340 0.156 0.000 0.205 738 L C 2.477 179.340 176.870 -0.012 0.000 1.079 738 L CA 1.594 56.427 54.840 -0.013 0.000 0.752 738 L CB -0.276 41.776 42.059 -0.011 0.000 0.906 738 L HN 0.179 nan 8.230 nan 0.000 0.436 739 R N -0.450 120.041 120.500 -0.015 0.000 2.316 739 R HA 0.069 4.503 4.340 0.156 0.000 0.202 739 R C 1.589 177.877 176.300 -0.021 0.000 1.029 739 R CA 0.904 56.993 56.100 -0.017 0.000 1.018 739 R CB -0.635 29.653 30.300 -0.019 0.000 0.888 739 R HN 0.327 nan 8.270 nan 0.000 0.471 740 A N 0.631 123.439 122.820 -0.019 0.000 2.208 740 A HA 0.068 4.482 4.320 0.156 0.000 0.209 740 A C 0.910 178.485 177.584 -0.015 0.000 1.161 740 A CA 0.634 52.660 52.037 -0.018 0.000 0.782 740 A CB -0.181 18.809 19.000 -0.016 0.000 0.816 740 A HN 0.546 nan 8.150 nan 0.000 0.477 741 N N -1.376 117.316 118.700 -0.013 0.000 2.325 741 N HA 0.235 5.068 4.740 0.156 0.000 0.220 741 N C 1.094 176.598 175.510 -0.009 0.000 1.176 741 N CA 0.015 53.059 53.050 -0.010 0.000 0.861 741 N CB 0.268 38.750 38.487 -0.008 0.000 1.230 741 N HN 0.322 nan 8.380 nan 0.000 0.479 742 I N 0.746 121.310 120.570 -0.009 0.000 2.756 742 I HA -0.081 4.182 4.170 0.156 0.000 0.262 742 I C 0.441 176.551 176.117 -0.011 0.000 1.225 742 I CA 0.545 61.841 61.300 -0.007 0.000 1.472 742 I CB -0.372 37.627 38.000 -0.001 0.000 1.094 742 I HN 0.142 nan 8.210 nan 0.000 0.454 751 R N 0.537 121.006 120.500 -0.050 0.000 2.215 751 R HA 0.661 5.095 4.340 0.156 0.000 0.337 751 R C -1.337 174.714 176.300 -0.415 0.000 1.010 751 R CA -0.536 55.490 56.100 -0.124 0.000 0.871 751 R CB 1.659 32.005 30.300 0.078 0.000 1.134 751 R HN 0.182 nan 8.270 nan 0.000 0.477 752 L N 2.937 123.710 121.223 -0.750 0.000 2.493 752 L HA 0.429 4.862 4.340 0.156 0.000 0.265 752 L C -1.736 174.687 176.870 -0.745 0.000 0.954 752 L CA -0.562 53.877 54.840 -0.669 0.000 0.844 752 L CB 1.773 43.682 42.059 -0.251 0.000 1.302 752 L HN 0.678 nan 8.230 nan 0.000 0.405 753 H N 3.556 122.651 119.070 0.043 0.000 3.006 753 H HA 0.465 5.115 4.556 0.157 0.000 0.304 753 H C -0.697 174.664 175.328 0.055 0.000 1.403 753 H CA -0.840 55.230 56.048 0.037 0.000 1.615 753 H CB -0.007 29.775 29.762 0.033 0.000 1.935 753 H HN 0.532 nan 8.280 nan 0.000 0.626 754 M N 2.097 121.770 119.600 0.122 0.000 2.228 754 M HA 0.243 4.817 4.480 0.156 0.000 0.303 754 M C -0.030 176.323 176.300 0.087 0.000 1.099 754 M CA 0.696 56.059 55.300 0.106 0.000 1.171 754 M CB 0.441 33.067 32.600 0.043 0.000 1.412 754 M HN 0.399 nan 8.290 nan 0.000 0.447 755 K N -0.091 120.367 120.400 0.097 0.000 2.711 755 K HA 0.473 4.887 4.320 0.156 0.000 0.294 755 K C -1.573 175.061 176.600 0.056 0.000 1.037 755 K CA -0.681 55.605 56.287 -0.002 0.000 0.858 755 K CB 1.973 34.323 32.500 -0.250 0.000 1.521 755 K HN 0.664 nan 8.250 nan 0.000 0.386 756 T N 1.297 115.822 114.554 -0.048 0.000 3.422 756 T HA 0.203 4.647 4.350 0.156 0.000 0.327 756 T C -0.798 173.873 174.700 -0.048 0.000 0.840 756 T CA -0.571 61.499 62.100 -0.048 0.000 1.126 756 T CB 0.584 69.308 68.868 -0.240 0.000 1.008 756 T HN 0.400 nan 8.240 nan 0.000 0.485 757 L N 3.488 124.760 121.223 0.083 0.000 2.483 757 L HA 0.592 5.026 4.340 0.156 0.000 0.275 757 L C -0.454 176.552 176.870 0.226 0.000 1.220 757 L CA 0.377 55.274 54.840 0.095 0.000 0.833 757 L CB 0.363 42.475 42.059 0.089 0.000 1.102 757 L HN 0.697 nan 8.230 nan 0.000 0.490 758 L N 5.181 126.522 121.223 0.197 0.000 3.630 758 L HA 0.188 4.622 4.340 0.156 0.000 0.241 758 L C -2.136 174.790 176.870 0.094 0.000 0.991 758 L CA -0.826 54.120 54.840 0.177 0.000 1.324 758 L CB 1.465 43.696 42.059 0.287 0.000 1.874 758 L HN 0.511 nan 8.230 nan 0.000 0.683 759 P HA 0.007 nan 4.420 nan 0.000 0.249 759 P C 1.027 178.333 177.300 0.010 0.000 1.227 759 P CA 0.617 63.732 63.100 0.024 0.000 0.753 759 P CB -0.026 31.686 31.700 0.021 0.000 0.966 760 V N -3.011 116.906 119.914 0.005 0.000 2.666 760 V HA -0.347 3.867 4.120 0.156 0.000 0.147 760 V C 1.072 177.144 176.094 -0.035 0.000 0.450 760 V CA 1.238 63.527 62.300 -0.019 0.000 1.232 760 V CB -2.959 28.867 31.823 0.005 0.000 1.437 760 V HN 0.503 nan 8.190 nan 0.000 1.056 761 S N -1.732 113.945 115.700 -0.038 0.000 3.315 761 S HA -0.211 4.353 4.470 0.156 0.000 0.283 761 S C 0.251 174.841 174.600 -0.017 0.000 1.279 761 S CA 1.579 59.752 58.200 -0.045 0.000 0.984 761 S CB -0.980 62.179 63.200 -0.068 0.000 1.184 761 S HN 0.912 nan 8.310 nan 0.000 0.653 762 K N 1.538 121.934 120.400 -0.007 0.000 2.297 762 K HA 0.329 4.743 4.320 0.156 0.000 0.286 762 K C -2.644 173.942 176.600 -0.023 0.000 1.053 762 K CA -1.729 54.555 56.287 -0.004 0.000 0.940 762 K CB 0.557 33.048 32.500 -0.015 0.000 1.019 762 K HN 0.126 nan 8.250 nan 0.000 0.475 763 P HA -0.052 nan 4.420 nan 0.000 0.266 763 P C -0.974 176.262 177.300 -0.106 0.000 1.419 763 P CA 0.209 63.299 63.100 -0.017 0.000 1.112 763 P CB 0.080 31.812 31.700 0.053 0.000 1.438 764 E N 3.232 123.384 120.200 -0.079 0.000 2.249 764 E HA 0.735 5.179 4.350 0.156 0.000 0.263 764 E C -0.845 175.727 176.600 -0.046 0.000 0.950 764 E CA -1.247 55.092 56.400 -0.102 0.000 0.827 764 E CB 2.285 31.914 29.700 -0.119 0.000 1.220 764 E HN 0.209 nan 8.360 nan 0.000 0.411 765 I N 0.740 121.274 120.570 -0.059 0.000 2.724 765 I HA 0.154 4.418 4.170 0.156 0.000 0.284 765 I C -0.952 175.124 176.117 -0.068 0.000 1.388 765 I CA -0.650 60.649 61.300 -0.002 0.000 1.081 765 I CB 1.419 39.482 38.000 0.106 0.000 1.368 765 I HN 0.442 nan 8.210 nan 0.000 0.429 766 R N 4.756 125.200 120.500 -0.093 0.000 3.732 766 R HA 0.311 4.745 4.340 0.156 0.000 0.258 766 R C -0.781 175.472 176.300 -0.077 0.000 1.661 766 R CA -0.105 55.887 56.100 -0.180 0.000 1.424 766 R CB -0.888 29.319 30.300 -0.155 0.000 1.308 766 R HN 0.612 nan 8.270 nan 0.000 0.634 767 S N -1.056 114.660 115.700 0.027 0.000 2.543 767 S HA 0.296 4.860 4.470 0.156 0.000 0.273 767 S C -1.124 173.510 174.600 0.056 0.000 1.152 767 S CA -1.037 57.173 58.200 0.017 0.000 0.910 767 S CB 1.344 64.390 63.200 -0.257 0.000 1.105 767 S HN 0.289 nan 8.310 nan 0.000 0.465 768 Y N 1.775 122.024 120.300 -0.086 0.000 2.326 768 Y HA 0.707 5.351 4.550 0.157 0.000 0.324 768 Y C -1.226 174.444 175.900 -0.383 0.000 1.291 768 Y CA -0.857 57.126 58.100 -0.195 0.000 1.348 768 Y CB 0.789 39.079 38.460 -0.284 0.000 1.294 768 Y HN 0.664 nan 8.280 nan 0.000 0.525 769 F N 4.601 124.109 119.950 -0.737 0.000 2.959 769 F HA 0.377 4.998 4.527 0.158 0.000 0.379 769 F C -2.375 173.105 175.800 -0.534 0.000 1.215 769 F CA -2.316 55.425 58.000 -0.432 0.000 1.190 769 F CB 0.739 39.535 39.000 -0.340 0.000 1.574 769 F HN 0.375 nan 8.300 nan 0.000 0.575 770 P HA -0.148 nan 4.420 nan 0.000 0.267 770 P C 0.113 177.543 177.300 0.216 0.000 1.175 770 P CA 0.340 63.625 63.100 0.309 0.000 0.763 770 P CB 0.659 32.691 31.700 0.553 0.000 0.795 771 E N 1.942 122.272 120.200 0.217 0.000 2.414 771 E HA 0.046 4.489 4.350 0.156 0.000 0.263 771 E C -0.105 176.616 176.600 0.202 0.000 1.000 771 E CA -0.074 56.411 56.400 0.142 0.000 0.914 771 E CB 0.385 30.156 29.700 0.118 0.000 0.948 771 E HN 0.369 nan 8.360 nan 0.000 0.444 772 S N 4.083 119.857 115.700 0.123 0.000 2.562 772 S HA 0.352 4.916 4.470 0.156 0.000 0.256 772 S C -0.221 174.495 174.600 0.194 0.000 1.248 772 S CA -0.001 58.266 58.200 0.111 0.000 0.988 772 S CB 0.182 63.392 63.200 0.018 0.000 1.035 772 S HN 0.752 nan 8.310 nan 0.000 0.548 773 W N -2.890 118.324 121.300 -0.144 0.000 2.743 773 W HA 0.417 5.171 4.660 0.157 0.000 0.434 773 W C -1.447 175.038 176.519 -0.057 0.000 1.048 773 W CA -0.969 56.299 57.345 -0.128 0.000 1.170 773 W CB -0.259 29.046 29.460 -0.259 0.000 1.466 773 W HN 0.518 nan 8.180 nan 0.000 0.596 774 L N 1.278 122.622 121.223 0.201 0.000 3.678 774 L HA -0.251 4.183 4.340 0.156 0.000 0.425 774 L C 0.971 177.864 176.870 0.039 0.000 1.240 774 L CA 0.913 55.744 54.840 -0.015 0.000 0.876 774 L CB -0.647 41.218 42.059 -0.322 0.000 1.766 774 L HN 0.687 nan 8.230 nan 0.000 0.917 775 W N 1.879 123.141 121.300 -0.064 0.000 3.256 775 W HA 0.069 4.819 4.660 0.152 0.000 0.269 775 W C 1.114 177.612 176.519 -0.034 0.000 1.310 775 W CA 0.447 57.757 57.345 -0.059 0.000 1.673 775 W CB 0.260 29.685 29.460 -0.059 0.000 1.115 775 W HN 0.506 nan 8.180 nan 0.000 0.686 776 E N 1.457 121.690 120.200 0.055 0.000 2.418 776 E HA 0.129 4.573 4.350 0.156 0.000 0.261 776 E C -0.119 176.430 176.600 -0.085 0.000 1.070 776 E CA -0.123 56.265 56.400 -0.021 0.000 0.931 776 E CB 1.199 30.901 29.700 0.004 0.000 0.954 776 E HN -0.219 nan 8.360 nan 0.000 0.439 777 V N 1.984 121.815 119.914 -0.138 0.000 3.134 777 V HA 0.265 4.479 4.120 0.156 0.000 0.313 777 V C 0.096 176.137 176.094 -0.088 0.000 1.069 777 V CA -0.398 61.857 62.300 -0.075 0.000 1.048 777 V CB 1.211 32.967 31.823 -0.110 0.000 1.119 777 V HN 0.677 nan 8.190 nan 0.000 0.461 778 H N 0.980 120.183 119.070 0.222 0.000 3.046 778 H HA 0.395 5.046 4.556 0.158 0.000 0.361 778 H C -1.474 174.084 175.328 0.384 0.000 1.235 778 H CA -0.761 55.450 56.048 0.272 0.000 1.146 778 H CB 2.209 32.039 29.762 0.114 0.000 1.859 778 H HN 0.427 nan 8.280 nan 0.000 0.548 779 L N 3.033 124.414 121.223 0.265 0.000 2.255 779 L HA 0.322 4.755 4.340 0.156 0.000 0.289 779 L C -1.062 175.712 176.870 -0.161 0.000 1.046 779 L CA -0.395 54.228 54.840 -0.362 0.000 0.816 779 L CB 0.371 42.120 42.059 -0.517 0.000 1.197 779 L HN 0.299 nan 8.230 nan 0.000 0.427 780 V N 7.756 127.557 119.914 -0.189 0.000 2.325 780 V HA 0.375 4.589 4.120 0.156 0.000 0.280 780 V C -2.112 173.902 176.094 -0.132 0.000 1.016 780 V CA -1.124 61.111 62.300 -0.108 0.000 0.818 780 V CB 1.434 33.224 31.823 -0.054 0.000 1.019 780 V HN 0.669 nan 8.190 nan 0.000 0.434 781 P HA 0.311 nan 4.420 nan 0.000 0.230 781 P C 0.644 177.910 177.300 -0.058 0.000 1.791 781 P CA -0.020 63.023 63.100 -0.094 0.000 1.020 781 P CB -0.066 31.585 31.700 -0.081 0.000 1.977 782 R N -1.437 119.032 120.500 -0.053 0.000 3.569 782 R HA -0.180 4.254 4.340 0.156 0.000 0.372 782 R C 0.323 176.609 176.300 -0.022 0.000 0.548 782 R CA 1.005 57.086 56.100 -0.031 0.000 1.528 782 R CB -1.203 29.084 30.300 -0.022 0.000 1.868 782 R HN 0.340 nan 8.270 nan 0.000 0.376 783 R N 0.333 120.819 120.500 -0.024 0.000 2.584 783 R HA 0.507 4.941 4.340 0.156 0.000 0.276 783 R C -1.499 174.788 176.300 -0.021 0.000 1.046 783 R CA -0.825 55.267 56.100 -0.014 0.000 0.906 783 R CB 2.491 32.789 30.300 -0.003 0.000 1.215 783 R HN 0.041 nan 8.270 nan 0.000 0.449 784 K N 2.076 122.463 120.400 -0.022 0.000 2.606 784 K HA 0.122 4.536 4.320 0.156 0.000 0.259 784 K C -1.873 174.708 176.600 -0.031 0.000 1.001 784 K CA -0.428 55.838 56.287 -0.034 0.000 0.881 784 K CB 2.110 34.572 32.500 -0.063 0.000 1.288 784 K HN 0.577 nan 8.250 nan 0.000 0.452 785 Q N 5.039 124.832 119.800 -0.012 0.000 2.312 785 Q HA 0.598 5.032 4.340 0.156 0.000 0.263 785 Q C -1.297 174.713 176.000 0.018 0.000 0.995 785 Q CA -0.946 54.864 55.803 0.012 0.000 0.853 785 Q CB 1.203 29.956 28.738 0.025 0.000 1.300 785 Q HN 0.629 nan 8.270 nan 0.000 0.448 786 L N 1.762 123.022 121.223 0.062 0.000 2.529 786 L HA 0.437 4.870 4.340 0.156 0.000 0.260 786 L C -0.524 176.511 176.870 0.275 0.000 0.997 786 L CA -1.079 53.834 54.840 0.121 0.000 0.885 786 L CB 1.239 43.326 42.059 0.047 0.000 1.185 786 L HN 0.593 nan 8.230 nan 0.000 0.442 787 Q N 2.832 122.736 119.800 0.174 0.000 2.454 787 Q HA 0.682 5.116 4.340 0.156 0.000 0.247 787 Q C -0.927 175.240 176.000 0.278 0.000 1.028 787 Q CA -0.309 55.556 55.803 0.102 0.000 0.910 787 Q CB 1.125 29.880 28.738 0.027 0.000 1.276 787 Q HN 0.686 nan 8.270 nan 0.000 0.489 788 F N -3.617 116.357 119.950 0.039 0.000 2.740 788 F HA 0.632 5.254 4.527 0.158 0.000 0.312 788 F C -1.943 173.859 175.800 0.003 0.000 1.121 788 F CA -1.196 56.819 58.000 0.025 0.000 0.977 788 F CB 0.391 39.420 39.000 0.048 0.000 1.265 788 F HN 0.733 nan 8.300 nan 0.000 0.443 789 A N 2.755 125.639 122.820 0.106 0.000 2.310 789 A HA 0.792 5.205 4.320 0.156 0.000 0.299 789 A C -0.767 176.826 177.584 0.014 0.000 1.147 789 A CA -0.733 51.307 52.037 0.005 0.000 0.818 789 A CB 0.592 19.596 19.000 0.007 0.000 1.096 789 A HN 0.753 nan 8.150 nan 0.000 0.495 790 L N 2.358 123.559 121.223 -0.036 0.000 2.395 790 L HA 0.435 4.869 4.340 0.156 0.000 0.269 790 L C -2.197 174.610 176.870 -0.104 0.000 1.133 790 L CA -1.664 53.111 54.840 -0.110 0.000 0.812 790 L CB -0.044 42.060 42.059 0.075 0.000 1.125 790 L HN 0.387 nan 8.230 nan 0.000 0.452 791 P HA 0.027 nan 4.420 nan 0.000 0.271 791 P C -0.734 176.598 177.300 0.054 0.000 1.216 791 P CA -0.378 62.648 63.100 -0.124 0.000 0.771 791 P CB 0.391 31.977 31.700 -0.190 0.000 0.864 792 D N 1.770 122.185 120.400 0.026 0.000 2.531 792 D HA 0.205 4.939 4.640 0.156 0.000 0.239 792 D C -0.248 176.099 176.300 0.078 0.000 1.144 792 D CA 1.405 55.428 54.000 0.040 0.000 0.869 792 D CB 0.017 40.822 40.800 0.007 0.000 1.160 792 D HN 0.269 nan 8.370 nan 0.000 0.484 793 S N 2.665 118.414 115.700 0.082 0.000 2.751 793 S HA 0.175 4.739 4.470 0.156 0.000 0.289 793 S C -1.938 172.683 174.600 0.036 0.000 0.965 793 S CA -0.828 57.421 58.200 0.082 0.000 0.855 793 S CB -0.186 63.132 63.200 0.196 0.000 1.068 793 S HN 0.230 nan 8.310 nan 0.000 0.462 794 L N 4.375 125.604 121.223 0.010 0.000 2.282 794 L HA 0.687 5.120 4.340 0.156 0.000 0.287 794 L C 0.501 177.327 176.870 -0.074 0.000 1.075 794 L CA 0.722 55.581 54.840 0.031 0.000 0.839 794 L CB 0.392 42.512 42.059 0.102 0.000 1.219 794 L HN 0.902 nan 8.230 nan 0.000 0.434 795 T N -1.559 112.878 114.554 -0.194 0.000 2.700 795 T HA 0.466 4.909 4.350 0.156 0.000 0.307 795 T C -0.480 173.988 174.700 -0.386 0.000 1.580 795 T CA -0.870 60.999 62.100 -0.386 0.000 0.992 795 T CB 1.329 69.700 68.868 -0.827 0.000 1.577 795 T HN 0.084 nan 8.240 nan 0.000 0.496 796 T N 1.481 115.836 114.554 -0.332 0.000 2.809 796 T HA 0.423 4.867 4.350 0.156 0.000 0.296 796 T C -0.940 173.717 174.700 -0.072 0.000 1.015 796 T CA -0.428 61.579 62.100 -0.155 0.000 0.954 796 T CB 0.161 69.013 68.868 -0.026 0.000 0.950 796 T HN 0.511 nan 8.240 nan 0.000 0.450 797 W N 2.399 123.825 121.300 0.210 0.000 2.311 797 W HA 0.304 5.058 4.660 0.158 0.000 0.310 797 W C 0.926 177.512 176.519 0.111 0.000 1.274 797 W CA -0.705 56.755 57.345 0.192 0.000 1.215 797 W CB 0.567 30.201 29.460 0.291 0.000 1.227 797 W HN 0.601 nan 8.180 nan 0.000 0.523 798 E N 5.840 126.257 120.200 0.362 0.000 2.167 798 E HA 0.138 4.582 4.350 0.156 0.000 0.247 798 E C -0.360 176.298 176.600 0.096 0.000 0.961 798 E CA -0.539 55.980 56.400 0.199 0.000 0.797 798 E CB 0.166 29.973 29.700 0.179 0.000 1.182 798 E HN 0.581 nan 8.360 nan 0.000 0.437 799 I N 3.505 124.092 120.570 0.027 0.000 2.389 799 I HA 0.109 4.373 4.170 0.156 0.000 0.295 799 I C -0.294 175.792 176.117 -0.052 0.000 1.117 799 I CA -0.427 60.816 61.300 -0.095 0.000 1.317 799 I CB 0.329 38.217 38.000 -0.187 0.000 1.431 799 I HN 0.405 nan 8.210 nan 0.000 0.521 800 Q N 6.353 126.124 119.800 -0.048 0.000 2.256 800 Q HA 0.644 5.078 4.340 0.156 0.000 0.257 800 Q C -0.966 174.992 176.000 -0.069 0.000 0.936 800 Q CA -0.759 55.007 55.803 -0.062 0.000 0.903 800 Q CB 2.181 30.869 28.738 -0.083 0.000 1.263 800 Q HN 0.843 nan 8.270 nan 0.000 0.440 801 G N 3.699 112.449 108.800 -0.082 0.000 2.805 801 G HA2 0.417 4.471 3.960 0.156 0.000 0.283 801 G HA3 0.417 4.471 3.960 0.156 0.000 0.283 801 G C -1.049 173.786 174.900 -0.108 0.000 1.508 801 G CA -0.600 44.450 45.100 -0.083 0.000 1.042 801 G HN 0.735 nan 8.290 nan 0.000 0.543 802 I N 2.240 122.724 120.570 -0.144 0.000 2.519 802 I HA 0.807 5.071 4.170 0.156 0.000 0.287 802 I C 0.379 176.384 176.117 -0.187 0.000 1.047 802 I CA -0.347 60.819 61.300 -0.224 0.000 1.381 802 I CB 1.467 39.223 38.000 -0.406 0.000 1.417 802 I HN 0.432 nan 8.210 nan 0.000 0.540 803 G N 7.728 116.437 108.800 -0.151 0.000 2.571 803 G HA2 0.714 4.768 3.960 0.156 0.000 0.304 803 G HA3 0.714 4.768 3.960 0.156 0.000 0.304 803 G C -1.164 173.711 174.900 -0.043 0.000 1.314 803 G CA -0.783 44.283 45.100 -0.057 0.000 0.975 803 G HN 0.961 nan 8.290 nan 0.000 0.485 804 I N -1.278 119.325 120.570 0.056 0.000 2.722 804 I HA 0.838 5.102 4.170 0.156 0.000 0.295 804 I C -0.654 175.581 176.117 0.197 0.000 1.161 804 I CA -0.831 60.520 61.300 0.086 0.000 1.032 804 I CB 1.949 39.985 38.000 0.061 0.000 1.244 804 I HN 0.445 nan 8.210 nan 0.000 0.421 805 S N 2.791 118.581 115.700 0.150 0.000 3.287 805 S HA 0.342 4.906 4.470 0.156 0.000 0.324 805 S C 0.403 175.077 174.600 0.124 0.000 1.205 805 S CA -0.590 57.707 58.200 0.163 0.000 1.020 805 S CB 1.357 64.607 63.200 0.084 0.000 1.398 805 S HN 0.832 nan 8.310 nan 0.000 0.679 806 N N 1.174 119.932 118.700 0.097 0.000 2.512 806 N HA -0.039 4.795 4.740 0.156 0.000 0.183 806 N C 1.533 177.086 175.510 0.072 0.000 1.073 806 N CA 1.282 54.382 53.050 0.084 0.000 0.911 806 N CB -0.021 38.508 38.487 0.070 0.000 0.964 806 N HN 0.624 nan 8.380 nan 0.000 0.447 807 T N -3.279 111.315 114.554 0.066 0.000 2.896 807 T HA 0.327 4.771 4.350 0.156 0.000 0.263 807 T C 1.245 175.989 174.700 0.073 0.000 1.050 807 T CA 0.804 62.943 62.100 0.065 0.000 1.140 807 T CB 0.080 68.982 68.868 0.056 0.000 0.877 807 T HN 0.291 nan 8.240 nan 0.000 0.457 808 G N 0.921 109.765 108.800 0.073 0.000 2.384 808 G HA2 0.248 4.302 3.960 0.156 0.000 0.113 808 G HA3 0.248 4.302 3.960 0.156 0.000 0.113 808 G C -1.740 173.192 174.900 0.054 0.000 1.224 808 G CA -0.329 44.815 45.100 0.074 0.000 1.126 808 G HN 0.572 nan 8.290 nan 0.000 0.461 809 I N 0.390 120.967 120.570 0.013 0.000 2.509 809 I HA 0.689 4.953 4.170 0.156 0.000 0.293 809 I C -1.209 174.831 176.117 -0.129 0.000 1.020 809 I CA -0.968 60.310 61.300 -0.036 0.000 1.088 809 I CB 1.743 39.766 38.000 0.038 0.000 1.267 809 I HN 0.874 nan 8.210 nan 0.000 0.430 810 c N 7.877 126.398 118.600 -0.132 0.000 2.705 810 c HA 0.475 5.139 4.570 0.156 0.000 0.369 810 c C -0.757 173.256 174.090 -0.127 0.000 1.069 810 c CA -0.363 55.891 56.329 -0.125 0.000 1.260 810 c CB 0.549 43.033 42.510 -0.043 0.000 1.764 810 c HN 0.562 nan 8.230 nan 0.000 0.469 811 V N 6.020 125.849 119.914 -0.141 0.000 2.555 811 V HA 0.491 4.705 4.120 0.156 0.000 0.286 811 V C 1.162 177.203 176.094 -0.088 0.000 1.044 811 V CA 0.453 62.671 62.300 -0.136 0.000 1.026 811 V CB 0.996 32.733 31.823 -0.144 0.000 0.981 811 V HN 1.099 nan 8.190 nan 0.000 0.480 812 A N 4.279 127.044 122.820 -0.092 0.000 2.322 812 A HA 0.325 4.739 4.320 0.156 0.000 0.269 812 A C 0.203 177.745 177.584 -0.070 0.000 1.094 812 A CA -0.644 51.347 52.037 -0.077 0.000 0.807 812 A CB 0.099 19.047 19.000 -0.087 0.000 1.047 812 A HN 0.852 nan 8.150 nan 0.000 0.487 813 D N 1.524 121.891 120.400 -0.055 0.000 2.458 813 D HA 0.134 4.867 4.640 0.156 0.000 0.243 813 D C 1.063 177.337 176.300 -0.043 0.000 1.146 813 D CA 0.745 54.721 54.000 -0.040 0.000 0.877 813 D CB 0.732 41.521 40.800 -0.017 0.000 1.176 813 D HN 0.660 nan 8.370 nan 0.000 0.461 814 T N 0.243 114.773 114.554 -0.040 0.000 2.560 814 T HA 0.079 4.523 4.350 0.156 0.000 0.354 814 T C 0.015 174.720 174.700 0.008 0.000 1.051 814 T CA -0.142 61.941 62.100 -0.029 0.000 1.032 814 T CB 0.430 69.276 68.868 -0.037 0.000 1.057 814 T HN 0.123 nan 8.240 nan 0.000 0.529 815 V N 2.711 122.646 119.914 0.035 0.000 2.818 815 V HA 0.275 4.488 4.120 0.156 0.000 0.256 815 V C -0.293 175.872 176.094 0.118 0.000 0.925 815 V CA -1.044 61.306 62.300 0.083 0.000 0.908 815 V CB 1.209 33.088 31.823 0.094 0.000 1.052 815 V HN 0.889 nan 8.190 nan 0.000 0.498 816 K N 2.059 122.534 120.400 0.124 0.000 2.285 816 K HA 0.615 5.028 4.320 0.156 0.000 0.255 816 K C 0.547 177.285 176.600 0.231 0.000 1.000 816 K CA 0.863 57.248 56.287 0.163 0.000 0.887 816 K CB 0.433 33.011 32.500 0.130 0.000 0.997 816 K HN 0.963 nan 8.250 nan 0.000 0.510 817 A N 1.281 124.271 122.820 0.284 0.000 2.942 817 A HA 0.082 4.496 4.320 0.156 0.000 0.229 817 A C -0.948 176.884 177.584 0.414 0.000 1.326 817 A CA -0.836 51.442 52.037 0.402 0.000 1.355 817 A CB -0.599 18.575 19.000 0.290 0.000 1.231 817 A HN 0.638 nan 8.150 nan 0.000 0.851 818 K N 0.407 120.984 120.400 0.295 0.000 2.511 818 K HA 0.312 4.725 4.320 0.156 0.000 0.280 818 K C 0.190 176.982 176.600 0.320 0.000 1.008 818 K CA 0.452 56.858 56.287 0.198 0.000 1.050 818 K CB 0.512 33.075 32.500 0.105 0.000 0.889 818 K HN 1.004 nan 8.250 nan 0.000 0.484 819 V N 0.894 120.959 119.914 0.253 0.000 2.667 819 V HA 0.873 5.087 4.120 0.156 0.000 0.308 819 V C -0.764 175.526 176.094 0.327 0.000 1.048 819 V CA -0.915 61.576 62.300 0.319 0.000 0.928 819 V CB 0.814 32.818 31.823 0.300 0.000 1.004 819 V HN 0.962 nan 8.190 nan 0.000 0.444 820 F N 1.918 121.940 119.950 0.120 0.000 2.728 820 F HA 0.554 5.175 4.527 0.156 0.000 0.315 820 F C -1.225 174.663 175.800 0.147 0.000 1.096 820 F CA -0.806 57.255 58.000 0.102 0.000 0.997 820 F CB 1.275 40.343 39.000 0.113 0.000 1.252 820 F HN 0.805 nan 8.300 nan 0.000 0.458 821 K N 4.065 123.838 120.400 -1.045 0.000 2.183 821 K HA 0.380 4.794 4.320 0.156 0.000 0.274 821 K C 0.278 176.292 176.600 -0.978 0.000 1.009 821 K CA -0.187 55.672 56.287 -0.713 0.000 0.888 821 K CB 1.308 33.627 32.500 -0.302 0.000 1.078 821 K HN 0.656 nan 8.250 nan 0.000 0.459 822 D N 1.430 121.649 120.400 -0.303 0.000 2.137 822 D HA -0.142 4.592 4.640 0.156 0.000 0.189 822 D C -0.020 176.413 176.300 0.223 0.000 0.998 822 D CA 1.429 55.499 54.000 0.116 0.000 0.839 822 D CB 0.118 41.092 40.800 0.289 0.000 0.962 822 D HN 0.206 nan 8.370 nan 0.000 0.446 823 V N -0.394 119.614 119.914 0.156 0.000 2.789 823 V HA 0.568 4.782 4.120 0.156 0.000 0.311 823 V C -1.053 175.113 176.094 0.119 0.000 1.073 823 V CA -0.939 61.377 62.300 0.027 0.000 0.921 823 V CB 2.113 33.928 31.823 -0.012 0.000 1.009 823 V HN 0.188 nan 8.190 nan 0.000 0.426 824 F N 3.147 123.085 119.950 -0.019 0.000 2.690 824 F HA 0.748 5.369 4.527 0.157 0.000 0.311 824 F C -1.416 174.319 175.800 -0.108 0.000 1.111 824 F CA -1.172 56.803 58.000 -0.041 0.000 1.003 824 F CB 1.144 40.142 39.000 -0.003 0.000 1.283 824 F HN 0.466 nan 8.300 nan 0.000 0.442 825 L N 2.894 124.121 121.223 0.007 0.000 2.357 825 L HA 0.750 5.184 4.340 0.156 0.000 0.273 825 L C -0.324 176.501 176.870 -0.075 0.000 1.080 825 L CA 0.022 54.764 54.840 -0.165 0.000 0.803 825 L CB 1.554 43.500 42.059 -0.189 0.000 1.174 825 L HN 0.914 nan 8.230 nan 0.000 0.443 826 E N 4.413 124.487 120.200 -0.211 0.000 2.277 826 E HA 0.590 5.034 4.350 0.156 0.000 0.266 826 E C -1.619 174.861 176.600 -0.200 0.000 0.901 826 E CA -0.964 55.361 56.400 -0.126 0.000 0.782 826 E CB 1.726 31.392 29.700 -0.057 0.000 1.228 826 E HN 0.539 nan 8.360 nan 0.000 0.424 827 M N 2.923 122.427 119.600 -0.160 0.000 2.197 827 M HA 0.269 4.843 4.480 0.156 0.000 0.301 827 M C -1.030 175.223 176.300 -0.078 0.000 0.987 827 M CA -0.724 54.447 55.300 -0.214 0.000 0.921 827 M CB 1.030 33.406 32.600 -0.372 0.000 1.569 827 M HN 0.650 nan 8.290 nan 0.000 0.431 828 N N 3.977 122.655 118.700 -0.037 0.000 2.807 828 N HA 0.244 5.078 4.740 0.156 0.000 0.259 828 N C -0.522 175.054 175.510 0.111 0.000 1.149 828 N CA -0.188 52.886 53.050 0.040 0.000 1.042 828 N CB 0.262 38.778 38.487 0.049 0.000 1.367 828 N HN 0.449 nan 8.380 nan 0.000 0.516 829 I N 2.285 122.919 120.570 0.107 0.000 2.779 829 I HA 0.224 4.488 4.170 0.156 0.000 0.285 829 I C -1.549 174.695 176.117 0.212 0.000 1.134 829 I CA -1.813 59.581 61.300 0.157 0.000 1.398 829 I CB -0.233 37.847 38.000 0.133 0.000 1.404 829 I HN 0.345 nan 8.210 nan 0.000 0.587 830 P HA 0.201 nan 4.420 nan 0.000 0.279 830 P C 0.580 178.034 177.300 0.257 0.000 1.276 830 P CA -0.298 62.983 63.100 0.302 0.000 0.801 830 P CB 0.897 32.847 31.700 0.416 0.000 1.127 831 Y N 0.621 120.993 120.300 0.119 0.000 2.062 831 Y HA -0.155 4.489 4.550 0.157 0.000 0.272 831 Y C 1.010 176.972 175.900 0.104 0.000 1.117 831 Y CA 1.662 59.821 58.100 0.098 0.000 1.095 831 Y CB 0.001 38.511 38.460 0.084 0.000 0.985 831 Y HN 0.467 nan 8.280 nan 0.000 0.479 832 S N -0.597 115.078 115.700 -0.042 0.000 2.667 832 S HA 0.717 5.281 4.470 0.156 0.000 0.292 832 S C -1.430 173.171 174.600 0.003 0.000 1.126 832 S CA -0.617 57.486 58.200 -0.162 0.000 0.881 832 S CB 2.262 65.293 63.200 -0.281 0.000 1.132 832 S HN 0.058 nan 8.310 nan 0.000 0.492 833 V N 1.206 121.107 119.914 -0.022 0.000 2.711 833 V HA 0.407 4.621 4.120 0.156 0.000 0.304 833 V C -0.587 175.501 176.094 -0.010 0.000 1.097 833 V CA -0.862 61.444 62.300 0.010 0.000 0.906 833 V CB 1.785 33.606 31.823 -0.003 0.000 1.015 833 V HN 0.877 nan 8.190 nan 0.000 0.427 834 V N 4.539 124.460 119.914 0.011 0.000 2.521 834 V HA 0.222 4.436 4.120 0.156 0.000 0.286 834 V C 0.998 177.077 176.094 -0.025 0.000 1.034 834 V CA -0.166 62.132 62.300 -0.002 0.000 1.045 834 V CB 0.799 32.632 31.823 0.017 0.000 0.974 834 V HN 0.975 nan 8.190 nan 0.000 0.480 835 R N 4.271 124.740 120.500 -0.051 0.000 2.547 835 R HA 0.066 4.500 4.340 0.156 0.000 0.269 835 R C 1.257 177.513 176.300 -0.073 0.000 0.968 835 R CA 1.306 57.366 56.100 -0.067 0.000 1.101 835 R CB -0.276 29.975 30.300 -0.081 0.000 0.898 835 R HN 1.210 nan 8.270 nan 0.000 0.416 836 G N 1.968 110.718 108.800 -0.082 0.000 2.234 836 G HA2 -0.329 3.725 3.960 0.156 0.000 0.260 836 G HA3 -0.329 3.725 3.960 0.156 0.000 0.260 836 G C -0.116 174.736 174.900 -0.081 0.000 0.987 836 G CA 0.557 45.569 45.100 -0.147 0.000 0.625 836 G HN 0.703 nan 8.290 nan 0.000 0.532 837 E N 0.387 120.609 120.200 0.038 0.000 2.373 837 E HA 0.391 4.835 4.350 0.156 0.000 0.263 837 E C 0.303 177.010 176.600 0.179 0.000 1.073 837 E CA -0.323 56.185 56.400 0.180 0.000 0.894 837 E CB 0.681 30.444 29.700 0.105 0.000 1.008 837 E HN 0.387 nan 8.360 nan 0.000 0.420 838 Q N 2.682 122.610 119.800 0.214 0.000 2.331 838 Q HA 0.288 4.722 4.340 0.156 0.000 0.257 838 Q C -1.151 174.833 176.000 -0.027 0.000 0.957 838 Q CA -0.538 55.317 55.803 0.087 0.000 0.923 838 Q CB 0.719 29.477 28.738 0.033 0.000 1.212 838 Q HN 0.380 nan 8.270 nan 0.000 0.443 839 I N 2.377 122.900 120.570 -0.078 0.000 2.676 839 I HA 0.174 4.438 4.170 0.156 0.000 0.309 839 I C -0.772 175.173 176.117 -0.287 0.000 0.990 839 I CA -0.194 60.967 61.300 -0.231 0.000 1.168 839 I CB 1.881 39.740 38.000 -0.236 0.000 1.343 839 I HN 0.591 nan 8.210 nan 0.000 0.482 840 Q N 6.699 126.172 119.800 -0.544 0.000 2.462 840 Q HA 0.355 4.789 4.340 0.156 0.000 0.247 840 Q C -1.433 174.325 176.000 -0.404 0.000 1.044 840 Q CA -0.584 54.997 55.803 -0.369 0.000 0.803 840 Q CB 0.918 29.527 28.738 -0.216 0.000 1.190 840 Q HN 0.596 nan 8.270 nan 0.000 0.507 841 L N 4.206 125.333 121.223 -0.160 0.000 2.536 841 L HA 0.149 4.583 4.340 0.156 0.000 0.282 841 L C 0.777 177.663 176.870 0.027 0.000 1.147 841 L CA 0.388 55.207 54.840 -0.035 0.000 0.936 841 L CB -0.070 42.026 42.059 0.061 0.000 1.279 841 L HN 0.267 nan 8.230 nan 0.000 0.461 842 K N 1.918 122.362 120.400 0.073 0.000 2.440 842 K HA 0.791 5.205 4.320 0.156 0.000 0.252 842 K C 0.421 176.997 176.600 -0.039 0.000 1.044 842 K CA -0.305 56.008 56.287 0.043 0.000 0.962 842 K CB 1.021 33.576 32.500 0.092 0.000 1.269 842 K HN 0.641 nan 8.250 nan 0.000 0.505 843 G N -0.628 108.133 108.800 -0.066 0.000 2.356 843 G HA2 0.241 4.294 3.960 0.156 0.000 0.300 843 G HA3 0.241 4.294 3.960 0.156 0.000 0.300 843 G C -1.520 173.287 174.900 -0.154 0.000 1.331 843 G CA -0.514 44.506 45.100 -0.133 0.000 0.905 843 G HN 0.628 nan 8.290 nan 0.000 0.587 844 T N -2.719 111.685 114.554 -0.249 0.000 3.172 844 T HA 0.639 5.083 4.350 0.156 0.000 0.320 844 T C -0.730 173.634 174.700 -0.560 0.000 1.085 844 T CA 0.038 61.957 62.100 -0.301 0.000 1.052 844 T CB 1.320 70.096 68.868 -0.154 0.000 1.107 844 T HN 2.080 nan 8.240 nan 0.000 0.458 845 V N 5.603 125.244 119.914 -0.457 0.000 2.530 845 V HA 0.511 4.725 4.120 0.156 0.000 0.282 845 V C -1.136 174.689 176.094 -0.447 0.000 1.048 845 V CA -0.617 61.383 62.300 -0.500 0.000 0.997 845 V CB 0.183 31.711 31.823 -0.491 0.000 0.987 845 V HN 0.929 nan 8.190 nan 0.000 0.477 846 Y N 5.822 125.771 120.300 -0.585 0.000 2.341 846 Y HA 0.388 5.032 4.550 0.156 0.000 0.340 846 Y C 0.680 176.130 175.900 -0.750 0.000 0.997 846 Y CA -0.672 56.901 58.100 -0.878 0.000 1.149 846 Y CB 1.228 38.721 38.460 -1.613 0.000 1.171 846 Y HN 0.666 nan 8.280 nan 0.000 0.494 847 N N 3.289 121.800 118.700 -0.315 0.000 2.422 847 N HA 0.101 4.935 4.740 0.156 0.000 0.266 847 N C -0.965 174.478 175.510 -0.112 0.000 1.007 847 N CA -0.122 52.841 53.050 -0.145 0.000 0.941 847 N CB 0.617 39.114 38.487 0.017 0.000 1.115 847 N HN 0.585 nan 8.380 nan 0.000 0.492 848 Y N 1.265 121.679 120.300 0.191 0.000 2.672 848 Y HA 0.284 4.928 4.550 0.156 0.000 0.252 848 Y C 0.526 176.571 175.900 0.240 0.000 1.132 848 Y CA -0.603 57.635 58.100 0.231 0.000 1.228 848 Y CB -0.013 38.709 38.460 0.436 0.000 1.310 848 Y HN 0.433 nan 8.280 nan 0.000 0.549 849 R N 1.137 121.848 120.500 0.352 0.000 2.594 849 R HA 0.145 4.579 4.340 0.156 0.000 0.272 849 R C 1.567 177.979 176.300 0.187 0.000 1.074 849 R CA 1.015 57.278 56.100 0.271 0.000 1.105 849 R CB 0.638 31.106 30.300 0.279 0.000 1.008 849 R HN 0.341 nan 8.270 nan 0.000 0.472 850 T N -0.091 114.545 114.554 0.137 0.000 2.607 850 T HA -0.146 4.298 4.350 0.156 0.000 0.267 850 T C 0.933 175.676 174.700 0.071 0.000 1.049 850 T CA 1.297 63.448 62.100 0.086 0.000 1.162 850 T CB -0.636 68.264 68.868 0.054 0.000 0.863 850 T HN 0.647 nan 8.240 nan 0.000 0.424 851 S N 1.148 116.889 115.700 0.068 0.000 2.634 851 S HA 0.609 5.173 4.470 0.156 0.000 0.261 851 S C 0.873 175.509 174.600 0.060 0.000 1.271 851 S CA -0.642 57.587 58.200 0.048 0.000 0.985 851 S CB 0.641 63.862 63.200 0.034 0.000 0.968 851 S HN 0.770 nan 8.310 nan 0.000 0.568 852 G N -0.200 108.620 108.800 0.033 0.000 2.588 852 G HA2 0.599 4.653 3.960 0.156 0.000 0.278 852 G HA3 0.599 4.653 3.960 0.156 0.000 0.278 852 G C -0.269 174.645 174.900 0.023 0.000 1.307 852 G CA -0.486 44.630 45.100 0.027 0.000 1.016 852 G HN 1.116 nan 8.290 nan 0.000 0.503 853 M N -2.756 116.847 119.600 0.006 0.000 3.493 853 M HA 0.427 5.001 4.480 0.156 0.000 0.300 853 M C -1.960 174.309 176.300 -0.051 0.000 1.288 853 M CA -0.948 54.347 55.300 -0.008 0.000 0.867 853 M CB 1.527 34.151 32.600 0.039 0.000 1.735 853 M HN 0.389 nan 8.290 nan 0.000 0.518 854 Q N 1.230 121.004 119.800 -0.044 0.000 2.312 854 Q HA 0.743 5.177 4.340 0.156 0.000 0.263 854 Q C -1.495 174.495 176.000 -0.016 0.000 0.995 854 Q CA -0.703 55.029 55.803 -0.118 0.000 0.853 854 Q CB 2.333 31.033 28.738 -0.064 0.000 1.300 854 Q HN 0.548 nan 8.270 nan 0.000 0.448 855 F N -1.337 118.611 119.950 -0.002 0.000 2.835 855 F HA 0.838 5.459 4.527 0.157 0.000 0.373 855 F C -0.745 175.070 175.800 0.024 0.000 1.209 855 F CA -2.093 55.908 58.000 0.001 0.000 1.082 855 F CB 1.127 40.122 39.000 -0.009 0.000 1.472 855 F HN 0.526 nan 8.300 nan 0.000 0.519 856 c N 2.541 121.529 118.600 0.646 0.000 3.033 856 c HA 0.523 5.187 4.570 0.156 0.000 0.385 856 c C -1.089 173.183 174.090 0.304 0.000 0.945 856 c CA -0.576 56.002 56.329 0.416 0.000 1.252 856 c CB -0.757 41.870 42.510 0.195 0.000 1.553 856 c HN 0.936 nan 8.230 nan 0.000 0.563 857 V N 3.171 123.273 119.914 0.313 0.000 2.432 857 V HA 0.755 4.969 4.120 0.156 0.000 0.275 857 V C -0.266 176.059 176.094 0.385 0.000 1.043 857 V CA -0.097 62.340 62.300 0.228 0.000 0.925 857 V CB 1.262 33.154 31.823 0.114 0.000 0.985 857 V HN 0.804 nan 8.190 nan 0.000 0.466 858 K N 4.870 125.437 120.400 0.278 0.000 2.427 858 K HA 0.689 5.103 4.320 0.156 0.000 0.252 858 K C -0.847 175.806 176.600 0.088 0.000 0.931 858 K CA -0.888 55.576 56.287 0.296 0.000 0.793 858 K CB 2.577 35.192 32.500 0.193 0.000 1.211 858 K HN 0.812 nan 8.250 nan 0.000 0.426 859 M N 2.549 122.144 119.600 -0.007 0.000 2.188 859 M HA 0.156 4.730 4.480 0.156 0.000 0.357 859 M C -0.469 175.689 176.300 -0.237 0.000 1.204 859 M CA -0.164 54.916 55.300 -0.367 0.000 1.095 859 M CB 1.631 33.960 32.600 -0.452 0.000 1.604 859 M HN 0.852 nan 8.290 nan 0.000 0.464 860 S N 4.120 119.603 115.700 -0.362 0.000 2.505 860 S HA 0.482 5.046 4.470 0.156 0.000 0.276 860 S C 0.028 174.520 174.600 -0.180 0.000 1.274 860 S CA -0.529 57.542 58.200 -0.215 0.000 1.053 860 S CB 0.368 63.439 63.200 -0.215 0.000 0.919 860 S HN 0.826 nan 8.310 nan 0.000 0.490 861 A N 5.766 128.530 122.820 -0.095 0.000 2.457 861 A HA 0.471 4.885 4.320 0.156 0.000 0.298 861 A C -0.030 177.515 177.584 -0.065 0.000 1.288 861 A CA -0.533 51.465 52.037 -0.065 0.000 0.956 861 A CB -0.299 18.684 19.000 -0.029 0.000 1.135 861 A HN 0.804 nan 8.150 nan 0.000 0.535 862 V N 4.120 123.989 119.914 -0.075 0.000 2.432 862 V HA 0.103 4.317 4.120 0.156 0.000 0.275 862 V C 1.448 177.519 176.094 -0.039 0.000 1.043 862 V CA -0.467 61.798 62.300 -0.057 0.000 0.925 862 V CB 0.848 32.633 31.823 -0.063 0.000 0.985 862 V HN 1.094 nan 8.190 nan 0.000 0.466 863 E N 4.214 124.397 120.200 -0.029 0.000 2.831 863 E HA -0.353 4.091 4.350 0.156 0.000 0.227 863 E C 1.812 178.398 176.600 -0.024 0.000 0.895 863 E CA 2.535 58.921 56.400 -0.023 0.000 1.313 863 E CB -0.703 28.986 29.700 -0.018 0.000 1.338 863 E HN 0.964 nan 8.360 nan 0.000 0.485 864 G N 0.414 109.198 108.800 -0.027 0.000 2.985 864 G HA2 0.249 4.303 3.960 0.156 0.000 0.209 864 G HA3 0.249 4.303 3.960 0.156 0.000 0.209 864 G C 0.906 175.786 174.900 -0.032 0.000 1.165 864 G CA -0.111 44.971 45.100 -0.030 0.000 0.776 864 G HN 0.144 nan 8.290 nan 0.000 0.541 865 I N 0.154 120.705 120.570 -0.032 0.000 2.532 865 I HA 0.274 4.538 4.170 0.156 0.000 0.292 865 I C 0.073 176.182 176.117 -0.014 0.000 1.014 865 I CA -0.897 60.387 61.300 -0.027 0.000 1.340 865 I CB 1.430 39.410 38.000 -0.033 0.000 1.422 865 I HN -0.148 nan 8.210 nan 0.000 0.528 866 C N 4.104 123.403 119.300 -0.003 0.000 2.364 866 C HA 0.799 5.353 4.460 0.156 0.000 0.356 866 C C 0.559 175.563 174.990 0.023 0.000 1.201 866 C CA 0.287 59.311 59.018 0.009 0.000 2.227 866 C CB 0.771 28.521 27.740 0.017 0.000 2.387 866 C HN 1.011 nan 8.230 nan 0.000 0.546 867 T N 0.938 115.508 114.554 0.027 0.000 2.637 867 T HA 0.303 4.747 4.350 0.156 0.000 0.303 867 T C 0.218 174.938 174.700 0.035 0.000 1.288 867 T CA -0.447 61.679 62.100 0.043 0.000 1.040 867 T CB 1.033 69.936 68.868 0.059 0.000 1.644 867 T HN 0.416 nan 8.240 nan 0.000 0.480 868 S N -0.551 115.174 115.700 0.041 0.000 2.505 868 S HA 0.194 4.758 4.470 0.156 0.000 0.216 868 S C 0.581 175.195 174.600 0.024 0.000 1.018 868 S CA -0.200 58.014 58.200 0.024 0.000 0.911 868 S CB 0.103 63.309 63.200 0.010 0.000 0.818 868 S HN 0.622 nan 8.310 nan 0.000 0.497 869 E N 3.022 123.245 120.200 0.037 0.000 2.390 869 E HA 0.181 4.625 4.350 0.156 0.000 0.261 869 E C 0.383 176.996 176.600 0.022 0.000 1.076 869 E CA -0.003 56.417 56.400 0.033 0.000 0.905 869 E CB 1.015 30.743 29.700 0.047 0.000 0.984 869 E HN 0.344 nan 8.360 nan 0.000 0.427 883 c N 3.366 122.015 118.600 0.081 0.000 2.135 883 c HA 0.427 5.091 4.570 0.156 0.000 0.345 883 c C 0.294 174.430 174.090 0.077 0.000 1.067 883 c CA -0.295 56.088 56.329 0.090 0.000 1.517 883 c CB -1.144 41.405 42.510 0.065 0.000 1.923 883 c HN 0.454 nan 8.230 nan 0.000 0.466 884 V N 5.741 125.715 119.914 0.100 0.000 2.125 884 V HA 0.340 4.554 4.120 0.156 0.000 0.263 884 V C 0.709 176.851 176.094 0.081 0.000 1.365 884 V CA -0.565 61.778 62.300 0.071 0.000 1.276 884 V CB -0.802 31.053 31.823 0.052 0.000 1.350 884 V HN 0.866 nan 8.190 nan 0.000 0.487 885 R N 1.928 122.441 120.500 0.022 0.000 2.537 885 R HA 0.520 4.953 4.340 0.156 0.000 0.280 885 R C -0.241 175.916 176.300 -0.239 0.000 1.058 885 R CA -0.183 55.873 56.100 -0.074 0.000 1.057 885 R CB 0.649 30.912 30.300 -0.062 0.000 0.973 885 R HN 0.666 nan 8.270 nan 0.000 0.438 886 Q N 1.640 121.036 119.800 -0.674 0.000 2.892 886 Q HA 0.471 4.905 4.340 0.156 0.000 0.307 886 Q C -1.546 173.823 176.000 -1.052 0.000 1.039 886 Q CA -0.946 54.362 55.803 -0.826 0.000 0.792 886 Q CB 1.943 30.265 28.738 -0.694 0.000 1.504 886 Q HN 0.639 nan 8.270 nan 0.000 0.487 887 K N -0.181 119.757 120.400 -0.769 0.000 2.427 887 K HA 0.581 4.995 4.320 0.156 0.000 0.252 887 K C -1.584 174.775 176.600 -0.401 0.000 0.931 887 K CA -0.798 55.189 56.287 -0.500 0.000 0.793 887 K CB 2.091 34.411 32.500 -0.301 0.000 1.211 887 K HN 0.368 nan 8.250 nan 0.000 0.426 888 V N -0.556 119.269 119.914 -0.150 0.000 2.357 888 V HA 0.430 4.644 4.120 0.156 0.000 0.284 888 V C 0.102 176.197 176.094 0.001 0.000 1.018 888 V CA -0.982 61.318 62.300 0.000 0.000 0.841 888 V CB 1.118 33.041 31.823 0.166 0.000 0.991 888 V HN 0.804 nan 8.190 nan 0.000 0.437 889 E N 3.388 123.596 120.200 0.012 0.000 2.442 889 E HA 0.144 4.588 4.350 0.156 0.000 0.262 889 E C 0.613 177.244 176.600 0.052 0.000 1.004 889 E CA 0.247 56.663 56.400 0.026 0.000 0.928 889 E CB 0.692 30.416 29.700 0.040 0.000 0.937 889 E HN 1.010 nan 8.360 nan 0.000 0.446 890 G N 1.776 110.603 108.800 0.046 0.000 2.414 890 G HA2 0.124 4.178 3.960 0.156 0.000 0.236 890 G HA3 0.124 4.178 3.960 0.156 0.000 0.236 890 G C 0.023 174.976 174.900 0.089 0.000 1.293 890 G CA 0.073 45.213 45.100 0.068 0.000 0.869 890 G HN 0.812 nan 8.290 nan 0.000 0.556 891 S N -0.035 115.744 115.700 0.132 0.000 3.711 891 S HA -0.161 4.402 4.470 0.156 0.000 0.374 891 S C 0.668 175.365 174.600 0.163 0.000 0.969 891 S CA 0.823 59.136 58.200 0.190 0.000 1.198 891 S CB -1.963 61.308 63.200 0.119 0.000 0.903 891 S HN 1.091 nan 8.310 nan 0.000 0.493 892 S N -0.734 115.040 115.700 0.124 0.000 4.078 892 S HA 0.848 5.412 4.470 0.156 0.000 0.290 892 S C -0.652 174.002 174.600 0.090 0.000 1.069 892 S CA -0.096 58.167 58.200 0.106 0.000 1.246 892 S CB 1.834 65.097 63.200 0.105 0.000 1.659 892 S HN 0.808 nan 8.310 nan 0.000 0.624 893 S N 0.180 115.974 115.700 0.156 0.000 2.560 893 S HA 0.406 4.969 4.470 0.156 0.000 0.283 893 S C -2.327 172.417 174.600 0.240 0.000 1.141 893 S CA -0.460 57.859 58.200 0.197 0.000 0.902 893 S CB 0.909 64.305 63.200 0.328 0.000 1.104 893 S HN 0.612 nan 8.310 nan 0.000 0.454 894 H N 4.124 123.243 119.070 0.081 0.000 2.541 894 H HA 0.429 5.079 4.556 0.156 0.000 0.316 894 H C 0.012 175.346 175.328 0.009 0.000 1.043 894 H CA -0.464 55.647 56.048 0.105 0.000 1.232 894 H CB 0.831 30.748 29.762 0.257 0.000 1.406 894 H HN 0.563 nan 8.280 nan 0.000 0.469 895 L N 4.349 125.494 121.223 -0.129 0.000 2.503 895 L HA -0.070 4.364 4.340 0.156 0.000 0.287 895 L C -0.275 176.507 176.870 -0.147 0.000 1.252 895 L CA 0.501 55.261 54.840 -0.134 0.000 0.835 895 L CB 0.395 42.353 42.059 -0.168 0.000 1.099 895 L HN 0.340 nan 8.230 nan 0.000 0.516 896 V N -0.053 119.791 119.914 -0.118 0.000 3.130 896 V HA 0.800 5.013 4.120 0.156 0.000 0.310 896 V C -0.297 175.782 176.094 -0.027 0.000 1.158 896 V CA -0.433 61.828 62.300 -0.066 0.000 1.029 896 V CB 2.150 33.934 31.823 -0.064 0.000 1.057 896 V HN 0.874 nan 8.190 nan 0.000 0.436 897 T N -0.506 114.050 114.554 0.002 0.000 2.885 897 T HA 0.780 5.224 4.350 0.156 0.000 0.322 897 T C -1.695 173.000 174.700 -0.008 0.000 1.387 897 T CA -0.433 61.692 62.100 0.041 0.000 1.041 897 T CB 1.627 70.466 68.868 -0.048 0.000 1.287 897 T HN 0.412 nan 8.240 nan 0.000 0.491 898 F N 1.312 121.245 119.950 -0.029 0.000 2.588 898 F HA 0.542 5.163 4.527 0.157 0.000 0.314 898 F C 0.462 176.255 175.800 -0.012 0.000 1.134 898 F CA -0.841 57.170 58.000 0.017 0.000 0.961 898 F CB 2.738 41.804 39.000 0.111 0.000 1.239 898 F HN 0.889 nan 8.300 nan 0.000 0.448 899 T N 0.708 115.328 114.554 0.111 0.000 2.902 899 T HA 0.887 5.331 4.350 0.156 0.000 0.283 899 T C -0.450 174.289 174.700 0.065 0.000 1.009 899 T CA -0.636 61.488 62.100 0.040 0.000 1.051 899 T CB 1.705 70.564 68.868 -0.016 0.000 0.999 899 T HN 0.634 nan 8.240 nan 0.000 0.474 900 V N -0.192 119.739 119.914 0.028 0.000 3.203 900 V HA 0.899 5.113 4.120 0.156 0.000 0.305 900 V C -1.300 174.804 176.094 0.017 0.000 1.361 900 V CA -1.454 60.865 62.300 0.031 0.000 1.066 900 V CB 1.666 33.510 31.823 0.034 0.000 1.085 900 V HN 1.217 nan 8.190 nan 0.000 0.456 901 L N 0.872 122.107 121.223 0.021 0.000 2.849 901 L HA 0.696 5.130 4.340 0.156 0.000 0.256 901 L C -3.200 173.671 176.870 0.001 0.000 0.951 901 L CA -0.864 53.993 54.840 0.029 0.000 1.003 901 L CB 2.414 44.524 42.059 0.084 0.000 1.408 901 L HN 0.606 nan 8.230 nan 0.000 0.463 902 P HA 0.368 nan 4.420 nan 0.000 0.288 902 P C -0.363 176.905 177.300 -0.053 0.000 1.267 902 P CA -0.552 62.525 63.100 -0.040 0.000 0.815 902 P CB 1.253 32.922 31.700 -0.053 0.000 0.989 903 L N 0.062 121.251 121.223 -0.057 0.000 2.840 903 L HA 0.277 4.711 4.340 0.156 0.000 0.249 903 L C 0.579 177.409 176.870 -0.065 0.000 1.119 903 L CA 0.782 55.584 54.840 -0.065 0.000 0.930 903 L CB -0.884 41.139 42.059 -0.059 0.000 1.295 903 L HN 0.363 nan 8.230 nan 0.000 0.534 904 E N 2.139 122.300 120.200 -0.065 0.000 2.044 904 E HA 0.337 4.781 4.350 0.156 0.000 0.282 904 E C -0.219 176.324 176.600 -0.095 0.000 1.031 904 E CA -0.317 56.042 56.400 -0.069 0.000 0.824 904 E CB 1.635 31.302 29.700 -0.056 0.000 1.076 904 E HN 0.158 nan 8.360 nan 0.000 0.395 905 I N 1.924 122.436 120.570 -0.097 0.000 2.556 905 I HA 0.047 4.311 4.170 0.156 0.000 0.284 905 I C 1.476 177.509 176.117 -0.141 0.000 1.114 905 I CA 0.523 61.752 61.300 -0.118 0.000 1.418 905 I CB 0.519 38.447 38.000 -0.119 0.000 1.394 905 I HN 0.878 nan 8.210 nan 0.000 0.552 906 G N 5.039 113.717 108.800 -0.202 0.000 2.284 906 G HA2 -0.292 3.762 3.960 0.156 0.000 0.247 906 G HA3 -0.292 3.762 3.960 0.156 0.000 0.247 906 G C 0.169 174.609 174.900 -0.767 0.000 1.012 906 G CA -0.178 44.725 45.100 -0.328 0.000 0.618 906 G HN 0.529 nan 8.290 nan 0.000 0.521 907 L N 2.694 123.663 121.223 -0.425 0.000 2.559 907 L HA 0.526 4.960 4.340 0.156 0.000 0.274 907 L C 0.728 177.371 176.870 -0.378 0.000 1.205 907 L CA 0.093 54.739 54.840 -0.324 0.000 0.907 907 L CB -0.134 41.852 42.059 -0.122 0.000 1.153 907 L HN 0.472 nan 8.230 nan 0.000 0.490 908 H N 3.047 122.103 119.070 -0.023 0.000 3.513 908 H HA 0.469 5.119 4.556 0.157 0.000 0.278 908 H C -0.043 175.265 175.328 -0.034 0.000 1.683 908 H CA -0.746 55.289 56.048 -0.021 0.000 1.552 908 H CB 0.023 29.777 29.762 -0.012 0.000 1.474 908 H HN 0.792 nan 8.280 nan 0.000 0.870 909 N N 0.233 119.014 118.700 0.134 0.000 3.541 909 N HA -0.204 4.630 4.740 0.156 0.000 0.292 909 N C -1.520 173.960 175.510 -0.049 0.000 1.964 909 N CA 0.242 53.307 53.050 0.025 0.000 2.344 909 N CB -0.223 38.269 38.487 0.008 0.000 0.672 909 N HN 0.534 nan 8.380 nan 0.000 0.620 910 I N 2.604 123.111 120.570 -0.104 0.000 2.563 910 I HA 0.143 4.407 4.170 0.156 0.000 0.285 910 I C -1.015 174.884 176.117 -0.364 0.000 1.123 910 I CA -0.725 60.405 61.300 -0.283 0.000 1.059 910 I CB 1.634 39.417 38.000 -0.361 0.000 1.229 910 I HN 0.459 nan 8.210 nan 0.000 0.442 911 N N 6.261 124.747 118.700 -0.357 0.000 2.422 911 N HA 0.479 5.312 4.740 0.156 0.000 0.264 911 N C -1.105 174.154 175.510 -0.419 0.000 1.063 911 N CA 0.005 52.895 53.050 -0.266 0.000 0.959 911 N CB 0.646 39.044 38.487 -0.148 0.000 1.087 911 N HN 0.234 nan 8.380 nan 0.000 0.483 912 F N 0.330 120.215 119.950 -0.108 0.000 2.432 912 F HA 0.617 5.238 4.527 0.156 0.000 0.329 912 F C 0.820 176.564 175.800 -0.093 0.000 1.076 912 F CA -0.656 57.255 58.000 -0.149 0.000 1.018 912 F CB 1.762 40.646 39.000 -0.194 0.000 1.201 912 F HN 0.242 nan 8.300 nan 0.000 0.489 913 S N 2.851 118.627 115.700 0.127 0.000 2.546 913 S HA 0.797 5.360 4.470 0.156 0.000 0.272 913 S C -1.671 172.974 174.600 0.076 0.000 1.140 913 S CA -0.677 57.566 58.200 0.071 0.000 0.920 913 S CB 0.775 63.999 63.200 0.041 0.000 1.083 913 S HN 0.544 nan 8.310 nan 0.000 0.476 914 L N 1.595 122.850 121.223 0.053 0.000 2.323 914 L HA 0.965 5.399 4.340 0.156 0.000 0.265 914 L C -0.648 176.262 176.870 0.066 0.000 1.012 914 L CA -0.649 54.229 54.840 0.064 0.000 0.820 914 L CB 1.131 43.194 42.059 0.007 0.000 1.334 914 L HN 0.542 nan 8.230 nan 0.000 0.427 915 E N -0.146 120.115 120.200 0.103 0.000 2.248 915 E HA 0.834 5.278 4.350 0.156 0.000 0.267 915 E C -1.184 175.454 176.600 0.064 0.000 0.877 915 E CA -0.516 55.922 56.400 0.062 0.000 0.759 915 E CB 2.408 32.141 29.700 0.055 0.000 1.182 915 E HN 0.831 nan 8.360 nan 0.000 0.418 916 T N 1.329 115.880 114.554 -0.005 0.000 2.883 916 T HA 0.094 4.537 4.350 0.156 0.000 0.301 916 T C -0.080 174.618 174.700 -0.004 0.000 1.158 916 T CA -0.785 61.298 62.100 -0.029 0.000 1.007 916 T CB 0.865 69.606 68.868 -0.211 0.000 1.186 916 T HN 0.566 nan 8.240 nan 0.000 0.499 917 W N 1.843 123.071 121.300 -0.120 0.000 2.277 917 W HA -0.251 4.503 4.660 0.156 0.000 0.327 917 W C 1.061 177.620 176.519 0.067 0.000 1.284 917 W CA 2.020 59.368 57.345 0.006 0.000 1.277 917 W CB -0.244 29.281 29.460 0.107 0.000 1.141 917 W HN 0.763 nan 8.180 nan 0.000 0.482 918 F N -0.029 120.066 119.950 0.242 0.000 2.668 918 F HA 0.660 5.280 4.527 0.156 0.000 0.297 918 F C 0.227 176.077 175.800 0.082 0.000 1.124 918 F CA 0.167 58.246 58.000 0.131 0.000 1.353 918 F CB -0.541 38.555 39.000 0.160 0.000 0.992 918 F HN -0.175 nan 8.300 nan 0.000 0.524 919 G N 0.725 109.476 108.800 -0.082 0.000 2.673 919 G HA2 0.511 4.565 3.960 0.156 0.000 0.292 919 G HA3 0.511 4.565 3.960 0.156 0.000 0.292 919 G C -2.231 172.643 174.900 -0.043 0.000 1.450 919 G CA -1.186 43.883 45.100 -0.051 0.000 0.837 919 G HN 0.199 nan 8.290 nan 0.000 0.505 920 K N 0.450 120.845 120.400 -0.008 0.000 2.616 920 K HA 0.500 4.914 4.320 0.156 0.000 0.255 920 K C -1.623 174.986 176.600 0.014 0.000 0.995 920 K CA -0.530 55.758 56.287 0.002 0.000 0.860 920 K CB 2.314 34.814 32.500 -0.000 0.000 1.264 920 K HN 0.505 nan 8.250 nan 0.000 0.451 921 E N 3.641 123.853 120.200 0.020 0.000 2.312 921 E HA 0.517 4.961 4.350 0.156 0.000 0.267 921 E C -1.312 175.306 176.600 0.031 0.000 0.894 921 E CA -0.704 55.712 56.400 0.027 0.000 0.773 921 E CB 1.531 31.251 29.700 0.034 0.000 1.241 921 E HN 0.494 nan 8.360 nan 0.000 0.432 922 I N 4.572 125.160 120.570 0.030 0.000 2.493 922 I HA 0.209 4.473 4.170 0.156 0.000 0.279 922 I C -1.241 174.899 176.117 0.039 0.000 1.045 922 I CA -0.954 60.365 61.300 0.032 0.000 1.106 922 I CB 1.262 39.270 38.000 0.013 0.000 1.216 922 I HN 0.409 nan 8.210 nan 0.000 0.459 923 L N 9.225 130.488 121.223 0.067 0.000 2.260 923 L HA 0.491 4.925 4.340 0.156 0.000 0.289 923 L C -0.549 176.382 176.870 0.102 0.000 1.057 923 L CA -0.063 54.823 54.840 0.076 0.000 0.811 923 L CB 1.191 43.296 42.059 0.076 0.000 1.184 923 L HN 0.239 nan 8.230 nan 0.000 0.429 924 V N 4.292 124.241 119.914 0.058 0.000 2.509 924 V HA 0.627 4.840 4.120 0.156 0.000 0.284 924 V C 0.287 176.421 176.094 0.067 0.000 1.047 924 V CA -0.608 61.715 62.300 0.038 0.000 0.952 924 V CB 1.031 32.855 31.823 0.001 0.000 0.988 924 V HN 0.802 nan 8.190 nan 0.000 0.469 925 K N 1.797 122.241 120.400 0.073 0.000 2.409 925 K HA 0.862 5.276 4.320 0.156 0.000 0.252 925 K C -0.788 175.855 176.600 0.071 0.000 1.036 925 K CA -0.463 55.886 56.287 0.104 0.000 0.871 925 K CB 2.431 35.059 32.500 0.213 0.000 1.374 925 K HN 0.943 nan 8.250 nan 0.000 0.459 926 T N -0.593 114.016 114.554 0.092 0.000 3.071 926 T HA 0.414 4.858 4.350 0.156 0.000 0.311 926 T C -1.271 173.495 174.700 0.111 0.000 1.042 926 T CA -0.732 61.431 62.100 0.104 0.000 1.028 926 T CB 0.551 69.482 68.868 0.104 0.000 1.068 926 T HN 0.424 nan 8.240 nan 0.000 0.451 927 L N 3.100 124.376 121.223 0.088 0.000 2.287 927 L HA 0.610 5.044 4.340 0.156 0.000 0.287 927 L C -0.270 176.579 176.870 -0.035 0.000 1.022 927 L CA -0.983 53.877 54.840 0.033 0.000 0.814 927 L CB 1.007 43.069 42.059 0.005 0.000 1.217 927 L HN 0.672 nan 8.230 nan 0.000 0.420 928 R N 3.827 124.301 120.500 -0.044 0.000 2.248 928 R HA 0.411 4.845 4.340 0.156 0.000 0.328 928 R C -0.930 175.284 176.300 -0.143 0.000 1.067 928 R CA -0.294 55.735 56.100 -0.119 0.000 0.924 928 R CB 1.184 31.375 30.300 -0.183 0.000 1.013 928 R HN 0.418 nan 8.270 nan 0.000 0.454 929 V N 4.751 124.561 119.914 -0.173 0.000 2.417 929 V HA 0.449 4.663 4.120 0.156 0.000 0.291 929 V C 0.087 176.114 176.094 -0.112 0.000 1.024 929 V CA -0.709 61.511 62.300 -0.134 0.000 0.861 929 V CB 1.621 33.357 31.823 -0.146 0.000 0.985 929 V HN 0.426 nan 8.190 nan 0.000 0.436 930 V N 5.728 125.595 119.914 -0.077 0.000 3.126 930 V HA 0.687 4.901 4.120 0.156 0.000 0.314 930 V C -2.464 173.597 176.094 -0.055 0.000 1.138 930 V CA -1.783 60.487 62.300 -0.050 0.000 1.034 930 V CB 2.404 34.228 31.823 0.002 0.000 1.075 930 V HN 0.744 nan 8.190 nan 0.000 0.442 931 P HA 0.653 nan 4.420 nan 0.000 0.350 931 P C -1.783 175.581 177.300 0.107 0.000 1.178 931 P CA -0.695 62.387 63.100 -0.030 0.000 0.790 931 P CB 1.047 32.652 31.700 -0.159 0.000 1.448 932 E N -0.998 119.295 120.200 0.155 0.000 2.325 932 E HA 0.585 5.029 4.350 0.156 0.000 0.248 932 E C -0.414 176.436 176.600 0.418 0.000 0.912 932 E CA -0.624 55.916 56.400 0.233 0.000 0.782 932 E CB 0.447 30.187 29.700 0.066 0.000 1.264 932 E HN 0.754 nan 8.360 nan 0.000 0.417 933 G N 1.457 110.545 108.800 0.480 0.000 2.754 933 G HA2 -0.174 3.880 3.960 0.156 0.000 0.215 933 G HA3 -0.174 3.880 3.960 0.156 0.000 0.215 933 G C -0.248 174.746 174.900 0.157 0.000 1.121 933 G CA -0.644 44.677 45.100 0.369 0.000 0.954 933 G HN 0.397 nan 8.290 nan 0.000 0.511 934 V N 0.570 120.528 119.914 0.075 0.000 2.479 934 V HA 0.501 4.715 4.120 0.156 0.000 0.281 934 V C 0.546 176.564 176.094 -0.126 0.000 1.031 934 V CA 0.297 62.513 62.300 -0.140 0.000 1.038 934 V CB 1.307 33.041 31.823 -0.148 0.000 0.981 934 V HN 0.447 nan 8.190 nan 0.000 0.478 935 K N 4.943 125.257 120.400 -0.143 0.000 2.443 935 K HA 0.531 4.945 4.320 0.156 0.000 0.252 935 K C -0.451 176.093 176.600 -0.092 0.000 0.933 935 K CA -0.665 55.572 56.287 -0.083 0.000 0.792 935 K CB 1.611 34.091 32.500 -0.034 0.000 1.185 935 K HN 0.762 nan 8.250 nan 0.000 0.425 936 R N 2.332 122.798 120.500 -0.058 0.000 2.393 936 R HA 0.413 4.847 4.340 0.156 0.000 0.315 936 R C -0.913 175.367 176.300 -0.034 0.000 0.952 936 R CA -0.707 55.359 56.100 -0.055 0.000 0.842 936 R CB 1.284 31.550 30.300 -0.057 0.000 1.163 936 R HN 0.616 nan 8.270 nan 0.000 0.450 937 E N 2.191 122.366 120.200 -0.042 0.000 2.102 937 E HA 0.183 4.627 4.350 0.156 0.000 0.263 937 E C -0.528 176.006 176.600 -0.110 0.000 0.894 937 E CA -0.922 55.467 56.400 -0.018 0.000 0.746 937 E CB 1.666 31.400 29.700 0.057 0.000 1.129 937 E HN 0.759 nan 8.360 nan 0.000 0.416 938 S N 2.453 118.072 115.700 -0.135 0.000 2.578 938 S HA -0.042 4.522 4.470 0.156 0.000 0.231 938 S C 1.191 175.697 174.600 -0.157 0.000 0.994 938 S CA -0.372 57.717 58.200 -0.185 0.000 0.956 938 S CB -0.813 62.249 63.200 -0.230 0.000 0.870 938 S HN 0.658 nan 8.310 nan 0.000 0.494 939 Y N 3.023 123.284 120.300 -0.065 0.000 2.651 939 Y HA 0.153 4.797 4.550 0.156 0.000 0.293 939 Y C 0.725 176.637 175.900 0.020 0.000 1.151 939 Y CA -0.144 57.935 58.100 -0.035 0.000 1.362 939 Y CB -1.562 36.886 38.460 -0.019 0.000 0.973 939 Y HN 0.338 nan 8.280 nan 0.000 0.561 940 S N 0.393 115.979 115.700 -0.190 0.000 2.549 940 S HA 0.561 5.125 4.470 0.156 0.000 0.286 940 S C 0.300 175.008 174.600 0.180 0.000 1.314 940 S CA 0.011 58.276 58.200 0.108 0.000 1.062 940 S CB 0.956 64.299 63.200 0.238 0.000 0.865 940 S HN 1.029 nan 8.310 nan 0.000 0.498 941 G N 0.894 109.882 108.800 0.313 0.000 2.473 941 G HA2 0.497 4.551 3.960 0.156 0.000 0.298 941 G HA3 0.497 4.551 3.960 0.156 0.000 0.298 941 G C -1.326 173.633 174.900 0.098 0.000 1.575 941 G CA -0.385 44.794 45.100 0.131 0.000 0.846 941 G HN 1.180 nan 8.290 nan 0.000 0.585 942 V N -0.635 119.292 119.914 0.021 0.000 3.167 942 V HA 0.887 5.101 4.120 0.156 0.000 0.310 942 V C -0.117 175.926 176.094 -0.084 0.000 1.207 942 V CA -1.072 61.223 62.300 -0.008 0.000 1.059 942 V CB 1.973 33.813 31.823 0.028 0.000 1.079 942 V HN 0.926 nan 8.190 nan 0.000 0.446 943 T N 2.203 116.726 114.554 -0.053 0.000 2.812 943 T HA 0.599 5.043 4.350 0.156 0.000 0.282 943 T C -0.534 174.131 174.700 -0.058 0.000 0.990 943 T CA -0.342 61.709 62.100 -0.082 0.000 0.960 943 T CB 1.196 70.003 68.868 -0.101 0.000 0.948 943 T HN 0.454 nan 8.240 nan 0.000 0.438 944 L N 3.253 124.435 121.223 -0.069 0.000 2.313 944 L HA 0.374 4.808 4.340 0.156 0.000 0.282 944 L C -0.082 176.748 176.870 -0.065 0.000 1.092 944 L CA -0.133 54.669 54.840 -0.063 0.000 0.831 944 L CB 0.492 42.507 42.059 -0.073 0.000 1.159 944 L HN 0.640 nan 8.230 nan 0.000 0.442 945 D N 5.488 125.861 120.400 -0.045 0.000 2.363 945 D HA 0.252 4.986 4.640 0.156 0.000 0.258 945 D C -1.820 174.457 176.300 -0.038 0.000 1.259 945 D CA -1.630 52.353 54.000 -0.029 0.000 0.921 945 D CB 1.740 42.553 40.800 0.022 0.000 1.201 945 D HN 0.115 nan 8.370 nan 0.000 0.524 946 P HA -0.080 nan 4.420 nan 0.000 0.215 946 P C 0.938 178.189 177.300 -0.081 0.000 1.157 946 P CA 0.735 63.763 63.100 -0.120 0.000 0.863 946 P CB 0.307 31.824 31.700 -0.304 0.000 0.787 947 R N -0.396 120.031 120.500 -0.120 0.000 2.328 947 R HA 0.194 4.628 4.340 0.156 0.000 0.206 947 R C 1.127 177.440 176.300 0.022 0.000 0.990 947 R CA 0.656 56.732 56.100 -0.041 0.000 1.085 947 R CB -1.320 28.935 30.300 -0.076 0.000 0.998 947 R HN 0.227 nan 8.270 nan 0.000 0.484 948 G N 2.157 110.976 108.800 0.031 0.000 2.421 948 G HA2 -0.250 3.804 3.960 0.156 0.000 0.300 948 G HA3 -0.250 3.804 3.960 0.156 0.000 0.300 948 G C 0.779 175.695 174.900 0.028 0.000 0.974 948 G CA 0.195 45.317 45.100 0.037 0.000 1.062 948 G HN 0.415 nan 8.290 nan 0.000 0.514 949 I N -1.918 118.686 120.570 0.056 0.000 3.059 949 I HA 0.024 4.288 4.170 0.156 0.000 0.270 949 I C 1.768 177.840 176.117 -0.075 0.000 1.238 949 I CA 1.015 62.322 61.300 0.011 0.000 1.478 949 I CB -0.026 38.025 38.000 0.085 0.000 1.097 949 I HN 0.421 nan 8.210 nan 0.000 0.455 950 Y N -0.395 119.890 120.300 -0.025 0.000 2.453 950 Y HA 0.295 4.939 4.550 0.156 0.000 0.247 950 Y C 1.618 177.473 175.900 -0.074 0.000 1.124 950 Y CA 0.362 58.442 58.100 -0.033 0.000 1.243 950 Y CB 1.401 39.844 38.460 -0.030 0.000 1.213 950 Y HN 0.107 nan 8.280 nan 0.000 0.523 951 G N -1.174 107.642 108.800 0.028 0.000 3.827 951 G HA2 0.109 4.163 3.960 0.156 0.000 0.218 951 G HA3 0.109 4.163 3.960 0.156 0.000 0.218 951 G C 0.107 174.992 174.900 -0.025 0.000 0.892 951 G CA 0.348 45.425 45.100 -0.038 0.000 0.857 951 G HN 0.228 nan 8.290 nan 0.000 0.508 952 T N -0.579 113.977 114.554 0.004 0.000 2.676 952 T HA 0.457 4.901 4.350 0.156 0.000 0.308 952 T C -1.290 173.424 174.700 0.024 0.000 1.740 952 T CA 0.036 62.141 62.100 0.009 0.000 0.982 952 T CB 0.505 69.376 68.868 0.006 0.000 1.724 952 T HN 1.321 nan 8.240 nan 0.000 0.497 953 I N 1.198 121.783 120.570 0.025 0.000 2.371 953 I HA 0.738 5.002 4.170 0.156 0.000 0.290 953 I C -0.212 175.916 176.117 0.018 0.000 1.028 953 I CA -0.133 61.184 61.300 0.029 0.000 1.345 953 I CB 1.400 39.428 38.000 0.045 0.000 1.407 953 I HN 0.477 nan 8.210 nan 0.000 0.501 954 S N 6.391 122.096 115.700 0.008 0.000 2.622 954 S HA 0.513 5.077 4.470 0.156 0.000 0.283 954 S C 0.213 174.803 174.600 -0.017 0.000 1.197 954 S CA -0.729 57.469 58.200 -0.004 0.000 1.146 954 S CB 0.387 63.584 63.200 -0.004 0.000 1.007 954 S HN 0.874 nan 8.310 nan 0.000 0.478 955 R N 2.496 122.987 120.500 -0.015 0.000 2.549 955 R HA 0.344 4.778 4.340 0.156 0.000 0.361 955 R C 0.014 176.296 176.300 -0.030 0.000 0.969 955 R CA -0.097 55.991 56.100 -0.020 0.000 1.158 955 R CB 0.825 31.127 30.300 0.002 0.000 1.456 955 R HN 0.383 nan 8.270 nan 0.000 0.540 956 R N 1.125 121.601 120.500 -0.040 0.000 2.745 956 R HA 0.161 4.594 4.340 0.156 0.000 0.290 956 R C -1.723 174.520 176.300 -0.094 0.000 1.260 956 R CA -0.434 55.631 56.100 -0.059 0.000 1.045 956 R CB 1.295 31.565 30.300 -0.049 0.000 1.257 956 R HN -0.139 nan 8.270 nan 0.000 0.400 957 K N 1.499 121.812 120.400 -0.144 0.000 2.208 957 K HA 0.349 4.763 4.320 0.156 0.000 0.247 957 K C -1.242 175.101 176.600 -0.428 0.000 0.953 957 K CA -0.559 55.555 56.287 -0.287 0.000 0.837 957 K CB 1.824 34.111 32.500 -0.354 0.000 1.131 957 K HN 0.452 nan 8.250 nan 0.000 0.431 958 E N 3.745 123.619 120.200 -0.544 0.000 2.279 958 E HA 0.242 4.686 4.350 0.156 0.000 0.252 958 E C -1.537 174.751 176.600 -0.520 0.000 0.894 958 E CA -0.643 55.504 56.400 -0.422 0.000 0.785 958 E CB 0.532 30.122 29.700 -0.184 0.000 1.237 958 E HN 0.439 nan 8.360 nan 0.000 0.418 959 F N 5.799 125.728 119.950 -0.035 0.000 2.390 959 F HA 0.400 5.021 4.527 0.157 0.000 0.361 959 F C -2.031 173.769 175.800 -0.000 0.000 1.124 959 F CA -1.932 56.043 58.000 -0.042 0.000 1.149 959 F CB 0.598 39.552 39.000 -0.076 0.000 1.160 959 F HN 0.323 nan 8.300 nan 0.000 0.501 960 P HA 0.247 nan 4.420 nan 0.000 0.325 960 P C -1.339 176.083 177.300 0.202 0.000 1.298 960 P CA -0.849 62.363 63.100 0.187 0.000 0.771 960 P CB 0.830 32.615 31.700 0.142 0.000 1.389 961 Y N -0.055 120.300 120.300 0.091 0.000 2.316 961 Y HA 0.375 5.019 4.550 0.157 0.000 0.331 961 Y C 1.120 177.059 175.900 0.064 0.000 1.083 961 Y CA 0.257 58.403 58.100 0.078 0.000 1.206 961 Y CB 0.887 39.395 38.460 0.080 0.000 1.195 961 Y HN 0.139 nan 8.280 nan 0.000 0.497 962 R N 5.723 126.248 120.500 0.041 0.000 2.734 962 R HA 0.382 4.816 4.340 0.156 0.000 0.268 962 R C -1.843 174.483 176.300 0.042 0.000 1.785 962 R CA -0.306 55.836 56.100 0.070 0.000 1.461 962 R CB -0.174 30.160 30.300 0.056 0.000 1.308 962 R HN 0.684 nan 8.270 nan 0.000 0.586 963 I N 4.507 125.137 120.570 0.099 0.000 2.483 963 I HA 0.200 4.464 4.170 0.156 0.000 0.291 963 I C -1.675 174.487 176.117 0.075 0.000 1.112 963 I CA -1.852 59.501 61.300 0.088 0.000 1.350 963 I CB 0.218 38.303 38.000 0.142 0.000 1.419 963 I HN 0.301 nan 8.210 nan 0.000 0.523 964 P HA 0.083 nan 4.420 nan 0.000 0.267 964 P C 0.681 178.021 177.300 0.066 0.000 1.205 964 P CA -0.238 62.899 63.100 0.063 0.000 0.765 964 P CB 0.632 32.367 31.700 0.058 0.000 0.828 965 L N 1.429 122.690 121.223 0.062 0.000 2.721 965 L HA -0.086 4.348 4.340 0.156 0.000 0.241 965 L C 0.519 177.426 176.870 0.061 0.000 1.168 965 L CA 1.055 55.930 54.840 0.059 0.000 0.866 965 L CB -0.517 41.574 42.059 0.053 0.000 0.996 965 L HN 0.348 nan 8.230 nan 0.000 0.451 966 D N -0.117 120.324 120.400 0.068 0.000 2.424 966 D HA 0.125 4.859 4.640 0.156 0.000 0.220 966 D C 0.279 176.631 176.300 0.087 0.000 1.150 966 D CA -0.254 53.793 54.000 0.078 0.000 0.831 966 D CB 0.406 41.258 40.800 0.086 0.000 0.981 966 D HN 0.019 nan 8.370 nan 0.000 0.500 967 L N 1.877 123.148 121.223 0.079 0.000 2.490 967 L HA 0.036 4.470 4.340 0.156 0.000 0.274 967 L C 0.141 177.059 176.870 0.081 0.000 1.201 967 L CA -0.276 54.615 54.840 0.086 0.000 0.869 967 L CB 0.701 42.807 42.059 0.078 0.000 1.123 967 L HN -0.053 nan 8.230 nan 0.000 0.484 968 V N 5.102 125.073 119.914 0.095 0.000 2.381 968 V HA 0.381 4.595 4.120 0.156 0.000 0.257 968 V C -2.057 174.055 176.094 0.031 0.000 1.057 968 V CA -1.665 60.675 62.300 0.066 0.000 1.013 968 V CB -0.610 31.263 31.823 0.083 0.000 1.069 968 V HN 0.798 nan 8.190 nan 0.000 0.484 969 P HA -0.024 nan 4.420 nan 0.000 0.271 969 P C 0.518 177.816 177.300 -0.003 0.000 1.212 969 P CA 0.233 63.340 63.100 0.011 0.000 0.788 969 P CB 0.138 31.839 31.700 0.002 0.000 0.865 970 K N -2.226 118.174 120.400 -0.000 0.000 2.960 970 K HA -0.192 4.222 4.320 0.156 0.000 0.259 970 K C -0.147 176.442 176.600 -0.019 0.000 1.025 970 K CA 1.404 57.685 56.287 -0.010 0.000 0.756 970 K CB -2.083 30.403 32.500 -0.024 0.000 1.221 970 K HN 0.763 nan 8.250 nan 0.000 0.483 971 T N -1.212 113.335 114.554 -0.011 0.000 2.833 971 T HA 0.351 4.795 4.350 0.156 0.000 0.297 971 T C -0.014 174.695 174.700 0.015 0.000 1.015 971 T CA -1.051 61.030 62.100 -0.032 0.000 0.963 971 T CB 1.201 70.018 68.868 -0.085 0.000 0.955 971 T HN 0.202 nan 8.240 nan 0.000 0.449 972 E N 4.275 124.488 120.200 0.023 0.000 2.437 972 E HA 0.161 4.605 4.350 0.156 0.000 0.263 972 E C 0.140 176.786 176.600 0.076 0.000 1.030 972 E CA -0.619 55.818 56.400 0.062 0.000 0.934 972 E CB 0.577 30.313 29.700 0.060 0.000 0.943 972 E HN 0.676 nan 8.360 nan 0.000 0.444 973 I N 1.934 122.547 120.570 0.073 0.000 2.347 973 I HA 0.085 4.349 4.170 0.156 0.000 0.294 973 I C 0.442 176.572 176.117 0.021 0.000 1.090 973 I CA -0.273 61.043 61.300 0.026 0.000 1.314 973 I CB -0.227 37.715 38.000 -0.096 0.000 1.423 973 I HN 0.499 nan 8.210 nan 0.000 0.503 974 K N 9.014 129.445 120.400 0.052 0.000 2.201 974 K HA 0.500 4.913 4.320 0.156 0.000 0.278 974 K C -0.573 176.037 176.600 0.016 0.000 1.027 974 K CA -0.601 55.717 56.287 0.051 0.000 0.909 974 K CB 0.970 33.522 32.500 0.087 0.000 1.062 974 K HN 0.779 nan 8.250 nan 0.000 0.465 975 R N 4.230 124.733 120.500 0.005 0.000 2.626 975 R HA 0.445 4.879 4.340 0.156 0.000 0.274 975 R C -0.883 175.399 176.300 -0.031 0.000 1.031 975 R CA -0.877 55.205 56.100 -0.031 0.000 0.898 975 R CB 0.657 30.906 30.300 -0.086 0.000 1.222 975 R HN 0.426 nan 8.270 nan 0.000 0.455 976 I N 1.886 122.433 120.570 -0.038 0.000 2.676 976 I HA 0.507 4.771 4.170 0.156 0.000 0.309 976 I C -0.487 175.506 176.117 -0.207 0.000 0.990 976 I CA -1.392 59.873 61.300 -0.059 0.000 1.168 976 I CB 1.762 39.815 38.000 0.090 0.000 1.343 976 I HN 0.527 nan 8.210 nan 0.000 0.482 977 L N 2.967 124.018 121.223 -0.286 0.000 2.563 977 L HA 0.368 4.802 4.340 0.156 0.000 0.259 977 L C -0.777 175.881 176.870 -0.354 0.000 1.034 977 L CA 0.200 54.846 54.840 -0.322 0.000 0.899 977 L CB 1.424 43.356 42.059 -0.211 0.000 1.159 977 L HN 0.579 nan 8.230 nan 0.000 0.456 978 S N 3.709 119.109 115.700 -0.499 0.000 2.404 978 S HA 0.608 5.172 4.470 0.156 0.000 0.309 978 S C -0.541 173.982 174.600 -0.129 0.000 1.076 978 S CA -0.491 57.422 58.200 -0.477 0.000 1.095 978 S CB 0.350 62.985 63.200 -0.942 0.000 0.972 978 S HN 0.385 nan 8.310 nan 0.000 0.484 979 V N 6.705 126.609 119.914 -0.016 0.000 2.328 979 V HA 0.607 4.821 4.120 0.156 0.000 0.278 979 V C -0.385 175.790 176.094 0.136 0.000 1.021 979 V CA -0.923 61.425 62.300 0.079 0.000 0.838 979 V CB 0.824 32.752 31.823 0.176 0.000 0.999 979 V HN 0.710 nan 8.190 nan 0.000 0.447 980 K N 2.983 123.456 120.400 0.121 0.000 2.422 980 K HA 0.650 5.064 4.320 0.156 0.000 0.251 980 K C 0.063 176.747 176.600 0.140 0.000 0.933 980 K CA -0.564 55.830 56.287 0.179 0.000 0.798 980 K CB 2.245 34.859 32.500 0.189 0.000 1.238 980 K HN 0.673 nan 8.250 nan 0.000 0.428 981 G N 2.664 111.581 108.800 0.194 0.000 2.442 981 G HA2 0.455 4.508 3.960 0.156 0.000 0.249 981 G HA3 0.455 4.508 3.960 0.156 0.000 0.249 981 G C -0.078 174.714 174.900 -0.181 0.000 1.263 981 G CA -0.458 44.615 45.100 -0.045 0.000 0.846 981 G HN 0.569 nan 8.290 nan 0.000 0.555 982 L N -0.190 120.903 121.223 -0.216 0.000 0.584 982 L HA -0.154 4.280 4.340 0.156 0.000 0.356 982 L C 0.422 177.245 176.870 -0.078 0.000 1.004 982 L CA -0.639 54.088 54.840 -0.188 0.000 1.223 982 L CB -0.512 41.366 42.059 -0.302 0.000 0.014 982 L HN 0.513 nan 8.230 nan 0.000 0.091 983 L N 1.674 122.870 121.223 -0.046 0.000 2.599 983 L HA 0.105 4.539 4.340 0.156 0.000 0.230 983 L C 1.481 178.360 176.870 0.015 0.000 1.141 983 L CA 1.376 56.200 54.840 -0.026 0.000 0.877 983 L CB 0.053 42.100 42.059 -0.019 0.000 1.009 983 L HN 0.471 nan 8.230 nan 0.000 0.447 984 V N -1.507 118.411 119.914 0.007 0.000 3.078 984 V HA 0.368 4.582 4.120 0.156 0.000 0.344 984 V C 1.628 177.686 176.094 -0.060 0.000 1.409 984 V CA 0.547 62.842 62.300 -0.009 0.000 1.146 984 V CB 0.621 32.474 31.823 0.051 0.000 1.126 984 V HN 0.331 nan 8.190 nan 0.000 0.513 985 G N -0.248 108.562 108.800 0.017 0.000 2.494 985 G HA2 -0.101 3.953 3.960 0.156 0.000 0.216 985 G HA3 -0.101 3.953 3.960 0.156 0.000 0.216 985 G C 1.151 176.116 174.900 0.109 0.000 1.140 985 G CA 0.725 45.902 45.100 0.128 0.000 0.801 985 G HN 0.480 nan 8.290 nan 0.000 0.536 986 E N 0.925 121.182 120.200 0.094 0.000 2.047 986 E HA -0.007 4.437 4.350 0.156 0.000 0.191 986 E C 2.412 179.039 176.600 0.045 0.000 0.987 986 E CA 0.592 57.044 56.400 0.087 0.000 0.799 986 E CB -0.319 29.428 29.700 0.078 0.000 0.752 986 E HN 0.485 nan 8.360 nan 0.000 0.449 987 I N 0.248 120.836 120.570 0.030 0.000 2.756 987 I HA -0.203 4.061 4.170 0.156 0.000 0.262 987 I C 2.150 178.269 176.117 0.003 0.000 1.225 987 I CA 0.440 61.754 61.300 0.023 0.000 1.472 987 I CB -0.100 37.925 38.000 0.041 0.000 1.094 987 I HN 0.122 nan 8.210 nan 0.000 0.454 988 L N -0.587 120.626 121.223 -0.018 0.000 2.071 988 L HA -0.137 4.297 4.340 0.156 0.000 0.201 988 L C 2.714 179.585 176.870 0.002 0.000 1.076 988 L CA 1.084 55.904 54.840 -0.035 0.000 0.755 988 L CB -0.346 41.681 42.059 -0.054 0.000 0.915 988 L HN 0.162 nan 8.230 nan 0.000 0.445 989 S N -0.362 115.345 115.700 0.013 0.000 2.365 989 S HA -0.261 4.303 4.470 0.156 0.000 0.225 989 S C 2.095 176.710 174.600 0.025 0.000 1.039 989 S CA 1.434 59.644 58.200 0.017 0.000 1.033 989 S CB -0.209 63.019 63.200 0.047 0.000 0.887 989 S HN 0.483 nan 8.310 nan 0.000 0.447 990 A N 0.548 123.382 122.820 0.024 0.000 1.881 990 A HA -0.146 4.268 4.320 0.156 0.000 0.219 990 A C 2.231 179.824 177.584 0.014 0.000 1.215 990 A CA 2.328 54.368 52.037 0.005 0.000 0.648 990 A CB -1.161 17.836 19.000 -0.005 0.000 0.832 990 A HN 0.486 nan 8.150 nan 0.000 0.455 991 V N -0.903 119.031 119.914 0.032 0.000 3.461 991 V HA 0.120 4.334 4.120 0.156 0.000 0.267 991 V C 0.588 176.721 176.094 0.064 0.000 1.186 991 V CA 0.929 63.259 62.300 0.050 0.000 1.154 991 V CB -0.392 31.475 31.823 0.074 0.000 0.802 991 V HN 0.453 nan 8.190 nan 0.000 0.474 992 L N -0.847 120.412 121.223 0.059 0.000 2.725 992 L HA 0.424 4.858 4.340 0.156 0.000 0.270 992 L C 0.423 177.319 176.870 0.043 0.000 1.422 992 L CA 0.158 55.043 54.840 0.074 0.000 0.770 992 L CB 0.782 42.932 42.059 0.151 0.000 1.081 992 L HN 0.070 nan 8.230 nan 0.000 0.527 993 S N -1.276 114.438 115.700 0.024 0.000 2.302 993 S HA 0.007 4.570 4.470 0.156 0.000 0.258 993 S C 0.089 174.691 174.600 0.004 0.000 0.957 993 S CA -0.402 57.805 58.200 0.011 0.000 1.330 993 S CB 0.668 63.874 63.200 0.010 0.000 0.982 993 S HN 0.584 nan 8.310 nan 0.000 0.459 994 Q N 1.293 121.095 119.800 0.003 0.000 2.204 994 Q HA 0.796 5.230 4.340 0.156 0.000 0.254 994 Q C -0.643 175.356 176.000 -0.001 0.000 0.981 994 Q CA -0.672 55.129 55.803 -0.003 0.000 0.897 994 Q CB 1.185 29.918 28.738 -0.010 0.000 1.273 994 Q HN 0.075 nan 8.270 nan 0.000 0.464 995 E N -0.139 120.057 120.200 -0.007 0.000 2.518 995 E HA 0.598 5.042 4.350 0.156 0.000 0.248 995 E C -0.850 175.743 176.600 -0.010 0.000 1.028 995 E CA -0.272 56.123 56.400 -0.009 0.000 0.922 995 E CB 1.202 30.893 29.700 -0.016 0.000 1.299 995 E HN 0.906 nan 8.360 nan 0.000 0.457 996 G N 1.452 110.243 108.800 -0.015 0.000 3.265 996 G HA2 -0.221 3.833 3.960 0.156 0.000 0.488 996 G HA3 -0.221 3.833 3.960 0.156 0.000 0.488 996 G C 0.228 175.121 174.900 -0.011 0.000 0.742 996 G CA 0.294 45.384 45.100 -0.017 0.000 0.841 996 G HN 0.614 nan 8.290 nan 0.000 0.457 997 I N 0.035 120.599 120.570 -0.011 0.000 3.141 997 I HA 0.422 4.686 4.170 0.156 0.000 0.295 997 I C 0.282 176.395 176.117 -0.005 0.000 1.252 997 I CA 0.484 61.782 61.300 -0.003 0.000 1.406 997 I CB 0.904 38.902 38.000 -0.003 0.000 1.333 997 I HN 0.991 nan 8.210 nan 0.000 0.594 998 N N 3.849 122.548 118.700 -0.003 0.000 2.710 998 N HA 0.362 5.196 4.740 0.156 0.000 0.257 998 N C -1.278 174.225 175.510 -0.012 0.000 1.140 998 N CA -0.735 52.308 53.050 -0.011 0.000 0.953 998 N CB 1.219 39.693 38.487 -0.023 0.000 1.664 998 N HN 0.591 nan 8.380 nan 0.000 0.497 999 I N 2.574 123.136 120.570 -0.014 0.000 2.696 999 I HA 0.158 4.422 4.170 0.156 0.000 0.284 999 I C 1.007 177.097 176.117 -0.045 0.000 1.129 999 I CA -0.140 61.154 61.300 -0.011 0.000 1.410 999 I CB 0.560 38.564 38.000 0.007 0.000 1.399 999 I HN 0.687 nan 8.210 nan 0.000 0.579 1000 L N 4.811 126.011 121.223 -0.037 0.000 2.791 1000 L HA 0.149 4.583 4.340 0.156 0.000 0.239 1000 L C 0.043 176.865 176.870 -0.079 0.000 1.203 1000 L CA 0.249 55.051 54.840 -0.063 0.000 1.002 1000 L CB -0.205 41.832 42.059 -0.038 0.000 1.295 1000 L HN 0.760 nan 8.230 nan 0.000 0.504 1001 T N -5.052 109.446 114.554 -0.094 0.000 2.778 1001 T HA 0.234 4.678 4.350 0.156 0.000 0.293 1001 T C 0.143 174.762 174.700 -0.136 0.000 1.144 1001 T CA -0.615 61.426 62.100 -0.099 0.000 1.010 1001 T CB 1.177 69.983 68.868 -0.103 0.000 1.325 1001 T HN -0.080 nan 8.240 nan 0.000 0.515 1002 H N -0.395 118.662 119.070 -0.023 0.000 2.543 1002 H HA 0.347 4.997 4.556 0.157 0.000 0.269 1002 H C 0.373 175.730 175.328 0.049 0.000 1.005 1002 H CA -0.060 55.998 56.048 0.017 0.000 1.146 1002 H CB -0.197 29.585 29.762 0.033 0.000 1.353 1002 H HN 0.098 nan 8.280 nan 0.000 0.595 1003 L N 3.598 124.888 121.223 0.112 0.000 2.513 1003 L HA 0.063 4.497 4.340 0.156 0.000 0.272 1003 L C -1.663 175.344 176.870 0.229 0.000 1.187 1003 L CA -1.460 53.489 54.840 0.182 0.000 0.895 1003 L CB 0.239 42.347 42.059 0.083 0.000 1.147 1003 L HN 0.081 nan 8.230 nan 0.000 0.483 1004 P HA -0.039 nan 4.420 nan 0.000 0.262 1004 P C 0.056 177.447 177.300 0.150 0.000 1.182 1004 P CA -0.108 63.094 63.100 0.170 0.000 0.761 1004 P CB 0.494 32.291 31.700 0.161 0.000 0.795 1005 K N 2.526 122.989 120.400 0.104 0.000 2.574 1005 K HA -0.038 4.376 4.320 0.156 0.000 0.193 1005 K C 2.047 178.723 176.600 0.126 0.000 1.035 1005 K CA 0.737 57.086 56.287 0.104 0.000 0.982 1005 K CB -0.798 31.752 32.500 0.083 0.000 0.795 1005 K HN 0.646 nan 8.250 nan 0.000 0.491 1006 G N 1.513 110.386 108.800 0.120 0.000 2.628 1006 G HA2 -0.291 3.763 3.960 0.156 0.000 0.217 1006 G HA3 -0.291 3.763 3.960 0.156 0.000 0.217 1006 G C 0.986 176.108 174.900 0.370 0.000 1.240 1006 G CA 0.928 46.143 45.100 0.191 0.000 0.792 1006 G HN 0.411 nan 8.290 nan 0.000 0.593 1007 S N -0.175 115.687 115.700 0.271 0.000 2.687 1007 S HA 0.304 4.867 4.470 0.156 0.000 0.248 1007 S C 1.893 176.504 174.600 0.018 0.000 1.390 1007 S CA 0.618 58.855 58.200 0.061 0.000 0.963 1007 S CB 0.589 63.625 63.200 -0.272 0.000 0.957 1007 S HN 0.822 nan 8.310 nan 0.000 0.584 1008 A N 0.455 123.111 122.820 -0.274 0.000 1.874 1008 A HA 0.056 4.470 4.320 0.156 0.000 0.214 1008 A C 2.008 179.300 177.584 -0.488 0.000 1.189 1008 A CA 1.528 53.059 52.037 -0.844 0.000 0.615 1008 A CB -1.302 17.393 19.000 -0.509 0.000 0.830 1008 A HN 0.993 nan 8.150 nan 0.000 0.443 1009 E N -0.040 119.984 120.200 -0.294 0.000 2.119 1009 E HA -0.340 4.104 4.350 0.156 0.000 0.221 1009 E C 2.107 178.645 176.600 -0.103 0.000 1.062 1009 E CA 2.004 58.285 56.400 -0.199 0.000 0.894 1009 E CB -0.359 29.318 29.700 -0.038 0.000 0.785 1009 E HN 0.541 nan 8.360 nan 0.000 0.472 1010 A N 0.423 123.231 122.820 -0.020 0.000 1.917 1010 A HA -0.263 4.151 4.320 0.156 0.000 0.219 1010 A C 2.024 179.599 177.584 -0.015 0.000 1.182 1010 A CA 2.037 54.107 52.037 0.055 0.000 0.633 1010 A CB -0.658 18.408 19.000 0.110 0.000 0.819 1010 A HN 0.352 nan 8.150 nan 0.000 0.448 1011 E N -0.614 119.508 120.200 -0.130 0.000 2.338 1011 E HA -0.018 4.426 4.350 0.156 0.000 0.197 1011 E C 1.694 178.241 176.600 -0.089 0.000 1.007 1011 E CA 0.537 56.856 56.400 -0.136 0.000 0.849 1011 E CB -0.226 29.287 29.700 -0.312 0.000 0.774 1011 E HN 0.664 nan 8.360 nan 0.000 0.506 1012 L N -1.005 120.179 121.223 -0.066 0.000 2.202 1012 L HA 0.023 4.457 4.340 0.156 0.000 0.205 1012 L C 1.858 178.784 176.870 0.094 0.000 1.083 1012 L CA 0.298 55.166 54.840 0.046 0.000 0.790 1012 L CB -0.107 42.047 42.059 0.157 0.000 0.942 1012 L HN 0.189 nan 8.230 nan 0.000 0.452 1013 M N -0.173 119.481 119.600 0.090 0.000 2.706 1013 M HA -0.145 4.428 4.480 0.156 0.000 0.253 1013 M C 2.271 178.606 176.300 0.059 0.000 1.063 1013 M CA 1.217 56.579 55.300 0.104 0.000 1.067 1013 M CB -0.592 32.070 32.600 0.104 0.000 1.423 1013 M HN 0.340 nan 8.290 nan 0.000 0.530 1014 S N -2.046 113.677 115.700 0.038 0.000 2.406 1014 S HA -0.032 4.531 4.470 0.156 0.000 0.224 1014 S C 1.825 176.437 174.600 0.020 0.000 1.030 1014 S CA 0.806 59.019 58.200 0.022 0.000 0.958 1014 S CB -0.923 62.283 63.200 0.011 0.000 0.811 1014 S HN 0.397 nan 8.310 nan 0.000 0.489 1015 V N 1.485 121.411 119.914 0.019 0.000 2.871 1015 V HA 0.043 4.257 4.120 0.156 0.000 0.256 1015 V C 2.006 178.112 176.094 0.019 0.000 1.082 1015 V CA 1.189 63.499 62.300 0.016 0.000 1.105 1015 V CB -0.442 31.378 31.823 -0.005 0.000 0.713 1015 V HN 0.405 nan 8.190 nan 0.000 0.473 1016 V N 1.110 121.015 119.914 -0.015 0.000 2.231 1016 V HA -0.140 4.073 4.120 0.156 0.000 0.239 1016 V C 0.450 176.504 176.094 -0.067 0.000 1.035 1016 V CA 2.993 65.227 62.300 -0.111 0.000 0.989 1016 V CB -1.997 29.771 31.823 -0.092 0.000 0.636 1016 V HN 0.470 nan 8.190 nan 0.000 0.457 1017 P HA -0.178 nan 4.420 nan 0.000 0.219 1017 P C 1.713 179.064 177.300 0.085 0.000 1.153 1017 P CA 1.805 64.936 63.100 0.052 0.000 0.865 1017 P CB -0.168 31.558 31.700 0.044 0.000 0.788 1018 V N -1.133 118.835 119.914 0.091 0.000 2.255 1018 V HA -0.225 3.989 4.120 0.156 0.000 0.243 1018 V C 2.162 178.381 176.094 0.208 0.000 1.038 1018 V CA 1.765 64.149 62.300 0.140 0.000 1.008 1018 V CB -1.580 30.315 31.823 0.121 0.000 0.645 1018 V HN 0.016 nan 8.190 nan 0.000 0.449 1019 F N 0.778 120.772 119.950 0.073 0.000 2.063 1019 F HA -0.325 4.295 4.527 0.156 0.000 0.298 1019 F C 2.357 178.374 175.800 0.362 0.000 1.105 1019 F CA 2.040 60.138 58.000 0.163 0.000 1.215 1019 F CB -0.757 38.253 39.000 0.017 0.000 0.972 1019 F HN 0.164 nan 8.300 nan 0.000 0.483 1020 Y N 0.532 120.734 120.300 -0.164 0.000 2.128 1020 Y HA -0.189 4.455 4.550 0.156 0.000 0.284 1020 Y C 2.765 178.638 175.900 -0.045 0.000 1.154 1020 Y CA 1.304 59.263 58.100 -0.234 0.000 1.149 1020 Y CB -1.557 36.904 38.460 0.002 0.000 0.976 1020 Y HN -0.033 nan 8.280 nan 0.000 0.505 1021 V N -0.531 119.503 119.914 0.200 0.000 2.867 1021 V HA -0.274 3.940 4.120 0.156 0.000 0.260 1021 V C 1.945 178.116 176.094 0.128 0.000 1.099 1021 V CA 1.655 64.031 62.300 0.127 0.000 1.122 1021 V CB -0.948 30.936 31.823 0.101 0.000 0.708 1021 V HN 0.348 nan 8.190 nan 0.000 0.490 1022 F N -0.528 119.416 119.950 -0.010 0.000 2.505 1022 F HA 0.082 4.703 4.527 0.157 0.000 0.289 1022 F C 2.320 177.947 175.800 -0.288 0.000 1.101 1022 F CA 1.143 59.091 58.000 -0.087 0.000 1.446 1022 F CB -0.267 38.721 39.000 -0.020 0.000 1.123 1022 F HN 0.224 nan 8.300 nan 0.000 0.564 1023 H N -0.966 117.962 119.070 -0.235 0.000 2.357 1023 H HA -0.220 4.430 4.556 0.156 0.000 0.301 1023 H C 2.024 177.240 175.328 -0.187 0.000 1.082 1023 H CA 2.070 58.007 56.048 -0.185 0.000 1.342 1023 H CB -0.646 29.002 29.762 -0.191 0.000 1.389 1023 H HN 0.479 nan 8.280 nan 0.000 0.511 1024 Y N 1.252 121.407 120.300 -0.242 0.000 2.089 1024 Y HA -0.232 4.411 4.550 0.156 0.000 0.282 1024 Y C 2.757 178.416 175.900 -0.402 0.000 1.139 1024 Y CA 1.660 59.606 58.100 -0.257 0.000 1.123 1024 Y CB -0.438 37.950 38.460 -0.119 0.000 0.980 1024 Y HN 0.082 nan 8.280 nan 0.000 0.493 1025 L N 0.102 121.274 121.223 -0.086 0.000 2.043 1025 L HA -0.240 4.194 4.340 0.156 0.000 0.212 1025 L C 2.429 178.566 176.870 -1.222 0.000 1.075 1025 L CA 1.922 56.372 54.840 -0.650 0.000 0.752 1025 L CB -0.513 40.820 42.059 -1.211 0.000 0.891 1025 L HN 0.351 nan 8.230 nan 0.000 0.432 1026 E N -0.564 118.920 120.200 -1.194 0.000 2.024 1026 E HA -0.133 4.311 4.350 0.156 0.000 0.190 1026 E C 2.089 178.359 176.600 -0.549 0.000 0.974 1026 E CA 1.703 57.536 56.400 -0.946 0.000 0.810 1026 E CB -0.316 28.775 29.700 -1.015 0.000 0.775 1026 E HN 0.062 nan 8.360 nan 0.000 0.453 1027 T N -0.694 113.564 114.554 -0.493 0.000 2.788 1027 T HA -0.044 4.400 4.350 0.156 0.000 0.268 1027 T C 1.241 175.692 174.700 -0.415 0.000 1.044 1027 T CA 1.372 63.252 62.100 -0.366 0.000 1.139 1027 T CB -0.540 68.040 68.868 -0.482 0.000 0.867 1027 T HN 0.343 nan 8.240 nan 0.000 0.454 1028 G N 2.262 110.736 108.800 -0.544 0.000 3.424 1028 G HA2 0.103 4.157 3.960 0.156 0.000 0.263 1028 G HA3 0.103 4.157 3.960 0.156 0.000 0.263 1028 G C 0.100 174.496 174.900 -0.839 0.000 1.310 1028 G CA -0.430 44.301 45.100 -0.614 0.000 1.089 1028 G HN 0.793 nan 8.290 nan 0.000 0.534 1029 N N -0.050 118.290 118.700 -0.601 0.000 1.437 1029 N HA -0.273 4.561 4.740 0.156 0.000 0.365 1029 N C 0.171 175.271 175.510 -0.683 0.000 1.215 1029 N CA 0.490 53.208 53.050 -0.553 0.000 0.804 1029 N CB -0.042 38.278 38.487 -0.278 0.000 1.029 1029 N HN 0.304 nan 8.380 nan 0.000 0.526 1030 H N 1.584 120.417 119.070 -0.396 0.000 3.182 1030 H HA 0.042 4.691 4.556 0.156 0.000 0.254 1030 H C 0.193 175.415 175.328 -0.177 0.000 1.197 1030 H CA -0.447 55.471 56.048 -0.217 0.000 1.061 1030 H CB -0.348 29.363 29.762 -0.084 0.000 1.722 1030 H HN 0.735 nan 8.280 nan 0.000 0.662 1031 W N 2.575 123.903 121.300 0.047 0.000 2.303 1031 W HA -0.241 4.515 4.660 0.159 0.000 0.287 1031 W C 2.059 178.599 176.519 0.036 0.000 1.213 1031 W CA 1.115 58.517 57.345 0.096 0.000 1.203 1031 W CB -0.002 29.526 29.460 0.113 0.000 1.136 1031 W HN 0.310 nan 8.180 nan 0.000 0.547 1032 N N 1.521 120.341 118.700 0.200 0.000 2.571 1032 N HA -0.115 4.719 4.740 0.156 0.000 0.189 1032 N C 1.068 176.557 175.510 -0.035 0.000 1.154 1032 N CA 1.066 54.179 53.050 0.104 0.000 0.907 1032 N CB -0.920 37.613 38.487 0.076 0.000 0.977 1032 N HN 0.295 nan 8.380 nan 0.000 0.449 1033 I N -0.657 119.805 120.570 -0.181 0.000 2.335 1033 I HA -0.166 4.098 4.170 0.156 0.000 0.251 1033 I C 0.188 176.074 176.117 -0.385 0.000 1.129 1033 I CA 0.764 61.874 61.300 -0.317 0.000 1.402 1033 I CB -0.639 37.037 38.000 -0.541 0.000 1.069 1033 I HN -0.110 nan 8.210 nan 0.000 0.424 1034 F N 1.300 121.268 119.950 0.030 0.000 2.427 1034 F HA 0.202 4.824 4.527 0.157 0.000 0.352 1034 F C 1.750 177.522 175.800 -0.046 0.000 1.100 1034 F CA -0.453 57.567 58.000 0.033 0.000 1.191 1034 F CB -0.041 39.020 39.000 0.103 0.000 1.128 1034 F HN -0.034 nan 8.300 nan 0.000 0.533 1035 H N 0.172 119.377 119.070 0.226 0.000 2.512 1035 H HA 0.005 4.655 4.556 0.156 0.000 0.279 1035 H C 1.437 176.836 175.328 0.119 0.000 0.999 1035 H CA 0.684 56.813 56.048 0.136 0.000 1.283 1035 H CB 0.133 29.949 29.762 0.091 0.000 1.421 1035 H HN 0.588 nan 8.280 nan 0.000 0.554 1036 S N 1.128 116.986 115.700 0.263 0.000 2.587 1036 S HA -0.075 4.489 4.470 0.156 0.000 0.252 1036 S C 0.477 175.128 174.600 0.084 0.000 1.282 1036 S CA -0.683 57.591 58.200 0.123 0.000 0.977 1036 S CB 0.746 63.972 63.200 0.043 0.000 1.015 1036 S HN 0.204 nan 8.310 nan 0.000 0.557 1037 D N 0.806 121.215 120.400 0.014 0.000 2.312 1037 D HA 0.365 5.099 4.640 0.156 0.000 0.252 1037 D C -1.853 174.412 176.300 -0.059 0.000 1.150 1037 D CA -2.207 51.788 54.000 -0.009 0.000 0.870 1037 D CB 1.403 42.183 40.800 -0.035 0.000 1.153 1037 D HN 0.146 nan 8.370 nan 0.000 0.457 1038 P HA -0.027 nan 4.420 nan 0.000 0.217 1038 P C 1.589 178.747 177.300 -0.237 0.000 1.153 1038 P CA -0.160 62.917 63.100 -0.038 0.000 0.843 1038 P CB 0.339 32.143 31.700 0.173 0.000 0.794 1039 L N -0.324 120.783 121.223 -0.193 0.000 2.043 1039 L HA -0.163 4.271 4.340 0.156 0.000 0.212 1039 L C 2.008 178.727 176.870 -0.252 0.000 1.075 1039 L CA 1.835 56.527 54.840 -0.246 0.000 0.752 1039 L CB -1.500 40.474 42.059 -0.142 0.000 0.891 1039 L HN -0.085 nan 8.230 nan 0.000 0.432 1040 I N -0.444 120.007 120.570 -0.198 0.000 2.353 1040 I HA -0.198 4.066 4.170 0.156 0.000 0.248 1040 I C 2.430 178.410 176.117 -0.229 0.000 1.119 1040 I CA 1.103 62.297 61.300 -0.176 0.000 1.417 1040 I CB -0.668 37.254 38.000 -0.131 0.000 1.078 1040 I HN 0.314 nan 8.210 nan 0.000 0.421 1041 E N 0.640 120.646 120.200 -0.322 0.000 2.160 1041 E HA -0.281 4.163 4.350 0.156 0.000 0.195 1041 E C 2.208 178.619 176.600 -0.314 0.000 0.991 1041 E CA 1.459 57.606 56.400 -0.421 0.000 0.810 1041 E CB -0.175 29.002 29.700 -0.871 0.000 0.742 1041 E HN 0.416 nan 8.360 nan 0.000 0.466 1042 K N -0.187 119.958 120.400 -0.425 0.000 1.978 1042 K HA -0.252 4.162 4.320 0.156 0.000 0.214 1042 K C 2.058 178.577 176.600 -0.134 0.000 1.049 1042 K CA 1.618 57.663 56.287 -0.403 0.000 0.939 1042 K CB -0.079 32.073 32.500 -0.580 0.000 0.721 1042 K HN -0.010 nan 8.250 nan 0.000 0.441 1043 Q N 1.110 120.820 119.800 -0.151 0.000 2.047 1043 Q HA -0.242 4.192 4.340 0.156 0.000 0.211 1043 Q C 2.016 177.961 176.000 -0.092 0.000 1.005 1043 Q CA 1.993 57.733 55.803 -0.105 0.000 0.866 1043 Q CB -0.492 28.185 28.738 -0.101 0.000 0.938 1043 Q HN 0.398 nan 8.270 nan 0.000 0.414 1044 K N 0.068 120.412 120.400 -0.093 0.000 2.160 1044 K HA -0.102 4.312 4.320 0.156 0.000 0.206 1044 K C 2.178 178.753 176.600 -0.042 0.000 1.047 1044 K CA 0.901 57.145 56.287 -0.072 0.000 0.930 1044 K CB -0.120 32.331 32.500 -0.081 0.000 0.720 1044 K HN 0.192 nan 8.250 nan 0.000 0.450 1045 L N 0.447 121.664 121.223 -0.010 0.000 2.127 1045 L HA -0.099 4.335 4.340 0.156 0.000 0.203 1045 L C 2.197 179.010 176.870 -0.094 0.000 1.080 1045 L CA 0.948 55.811 54.840 0.039 0.000 0.768 1045 L CB -0.460 41.754 42.059 0.258 0.000 0.924 1045 L HN 0.139 nan 8.230 nan 0.000 0.444 1046 K N 0.875 121.172 120.400 -0.171 0.000 1.987 1046 K HA -0.274 4.140 4.320 0.156 0.000 0.216 1046 K C 2.080 178.597 176.600 -0.138 0.000 1.051 1046 K CA 1.805 57.948 56.287 -0.240 0.000 0.942 1046 K CB -0.211 32.187 32.500 -0.171 0.000 0.722 1046 K HN 0.120 nan 8.250 nan 0.000 0.444 1047 K N 1.469 121.809 120.400 -0.100 0.000 2.001 1047 K HA -0.231 4.183 4.320 0.156 0.000 0.223 1047 K C 2.016 178.569 176.600 -0.078 0.000 1.055 1047 K CA 1.951 58.187 56.287 -0.086 0.000 0.965 1047 K CB -0.063 32.389 32.500 -0.080 0.000 0.730 1047 K HN -0.008 nan 8.250 nan 0.000 0.449 1048 K N 0.212 120.576 120.400 -0.060 0.000 2.242 1048 K HA -0.224 4.190 4.320 0.156 0.000 0.206 1048 K C 2.069 178.648 176.600 -0.034 0.000 1.045 1048 K CA 1.297 57.560 56.287 -0.039 0.000 0.930 1048 K CB -0.203 32.291 32.500 -0.010 0.000 0.726 1048 K HN 0.136 nan 8.250 nan 0.000 0.462 1049 L N 1.074 122.271 121.223 -0.044 0.000 2.013 1049 L HA -0.130 4.304 4.340 0.156 0.000 0.204 1049 L C 2.435 179.280 176.870 -0.042 0.000 1.081 1049 L CA 1.720 56.544 54.840 -0.028 0.000 0.751 1049 L CB -0.661 41.375 42.059 -0.039 0.000 0.901 1049 L HN 0.005 nan 8.230 nan 0.000 0.440 1050 K N -0.069 120.295 120.400 -0.059 0.000 2.015 1050 K HA -0.288 4.125 4.320 0.156 0.000 0.216 1050 K C 1.976 178.524 176.600 -0.086 0.000 1.052 1050 K CA 2.307 58.555 56.287 -0.065 0.000 0.937 1050 K CB -0.326 32.130 32.500 -0.073 0.000 0.719 1050 K HN 0.580 nan 8.250 nan 0.000 0.446 1051 E N -0.762 119.372 120.200 -0.109 0.000 2.118 1051 E HA -0.171 4.273 4.350 0.156 0.000 0.195 1051 E C 1.998 178.537 176.600 -0.101 0.000 0.992 1051 E CA 1.435 57.749 56.400 -0.144 0.000 0.804 1051 E CB -0.605 29.003 29.700 -0.154 0.000 0.741 1051 E HN 0.464 nan 8.360 nan 0.000 0.458 1052 G N 0.995 109.757 108.800 -0.063 0.000 2.432 1052 G HA2 -0.265 3.789 3.960 0.156 0.000 0.219 1052 G HA3 -0.265 3.789 3.960 0.156 0.000 0.219 1052 G C 1.499 176.381 174.900 -0.029 0.000 1.135 1052 G CA 1.055 46.133 45.100 -0.037 0.000 0.767 1052 G HN 0.202 nan 8.290 nan 0.000 0.550 1053 M N 0.496 120.076 119.600 -0.034 0.000 2.175 1053 M HA 0.168 4.741 4.480 0.156 0.000 0.264 1053 M C 2.282 178.578 176.300 -0.007 0.000 1.063 1053 M CA 1.026 56.316 55.300 -0.017 0.000 1.119 1053 M CB -0.561 32.026 32.600 -0.022 0.000 1.377 1053 M HN 0.207 nan 8.290 nan 0.000 0.415 1054 L N -1.700 119.501 121.223 -0.037 0.000 2.179 1054 L HA -0.074 4.360 4.340 0.156 0.000 0.208 1054 L C 2.359 179.235 176.870 0.010 0.000 1.096 1054 L CA 0.988 55.815 54.840 -0.022 0.000 0.779 1054 L CB -1.127 40.875 42.059 -0.096 0.000 0.922 1054 L HN 0.312 nan 8.230 nan 0.000 0.443 1055 S N 0.438 116.133 115.700 -0.008 0.000 2.448 1055 S HA -0.245 4.319 4.470 0.156 0.000 0.247 1055 S C 1.822 176.473 174.600 0.085 0.000 1.033 1055 S CA 1.674 59.889 58.200 0.025 0.000 1.003 1055 S CB -0.291 62.913 63.200 0.005 0.000 0.786 1055 S HN 0.512 nan 8.310 nan 0.000 0.495 1056 I N -1.500 119.110 120.570 0.067 0.000 3.081 1056 I HA 0.079 4.343 4.170 0.156 0.000 0.274 1056 I C 1.884 178.097 176.117 0.160 0.000 1.178 1056 I CA 0.800 62.152 61.300 0.087 0.000 1.460 1056 I CB -0.488 37.522 38.000 0.017 0.000 1.137 1056 I HN 0.275 nan 8.210 nan 0.000 0.443 1057 M N 1.843 121.485 119.600 0.071 0.000 2.186 1057 M HA -0.314 4.260 4.480 0.156 0.000 0.249 1057 M C 2.259 178.544 176.300 -0.024 0.000 1.081 1057 M CA 2.483 57.780 55.300 -0.006 0.000 1.072 1057 M CB -0.971 31.645 32.600 0.027 0.000 1.318 1057 M HN 0.311 nan 8.290 nan 0.000 0.405 1058 S N -1.169 114.564 115.700 0.055 0.000 2.407 1058 S HA -0.206 4.358 4.470 0.156 0.000 0.235 1058 S C 1.471 175.989 174.600 -0.137 0.000 1.036 1058 S CA 1.633 59.798 58.200 -0.059 0.000 1.013 1058 S CB -0.694 62.452 63.200 -0.090 0.000 0.820 1058 S HN 0.596 nan 8.310 nan 0.000 0.476 1059 Y N 0.694 120.911 120.300 -0.139 0.000 2.466 1059 Y HA 0.275 4.918 4.550 0.156 0.000 0.272 1059 Y C 1.092 176.831 175.900 -0.268 0.000 1.169 1059 Y CA -0.497 57.513 58.100 -0.150 0.000 1.285 1059 Y CB -0.197 38.206 38.460 -0.094 0.000 1.078 1059 Y HN 0.070 nan 8.280 nan 0.000 0.523 1060 R N 1.852 122.199 120.500 -0.256 0.000 2.296 1060 R HA 0.092 4.526 4.340 0.156 0.000 0.323 1060 R C -0.125 175.933 176.300 -0.404 0.000 1.067 1060 R CA -0.112 55.635 56.100 -0.588 0.000 0.946 1060 R CB 0.153 30.025 30.300 -0.712 0.000 0.991 1060 R HN 0.123 nan 8.270 nan 0.000 0.448 1061 N N 2.192 120.667 118.700 -0.374 0.000 2.292 1061 N HA 0.113 4.946 4.740 0.156 0.000 0.278 1061 N C 0.725 176.012 175.510 -0.371 0.000 1.289 1061 N CA 0.641 53.503 53.050 -0.314 0.000 0.934 1061 N CB 0.244 38.566 38.487 -0.275 0.000 1.069 1061 N HN 0.696 nan 8.380 nan 0.000 0.513 1062 A N -0.116 122.502 122.820 -0.336 0.000 1.862 1062 A HA -0.062 4.352 4.320 0.156 0.000 0.211 1062 A C 1.072 178.338 177.584 -0.529 0.000 1.220 1062 A CA 1.386 53.196 52.037 -0.379 0.000 0.616 1062 A CB -0.731 18.125 19.000 -0.240 0.000 0.878 1062 A HN 0.778 nan 8.150 nan 0.000 0.453 1063 D N -2.799 117.393 120.400 -0.346 0.000 2.358 1063 D HA -0.016 4.718 4.640 0.156 0.000 0.241 1063 D C 0.072 176.322 176.300 -0.083 0.000 1.094 1063 D CA 0.400 54.286 54.000 -0.190 0.000 0.907 1063 D CB -0.595 40.151 40.800 -0.091 0.000 0.893 1063 D HN 0.548 nan 8.370 nan 0.000 0.528 1064 Y N -1.259 118.938 120.300 -0.172 0.000 4.866 1064 Y HA -0.306 4.337 4.550 0.155 0.000 0.282 1064 Y C 0.808 176.655 175.900 -0.089 0.000 0.899 1064 Y CA 0.504 58.553 58.100 -0.085 0.000 1.720 1064 Y CB -2.427 36.040 38.460 0.013 0.000 1.107 1064 Y HN 0.249 nan 8.280 nan 0.000 0.460 1065 S N 0.974 116.444 115.700 -0.384 0.000 2.549 1065 S HA 0.398 4.961 4.470 0.156 0.000 0.283 1065 S C 0.082 174.558 174.600 -0.206 0.000 1.320 1065 S CA -0.591 57.193 58.200 -0.692 0.000 1.058 1065 S CB 0.699 62.829 63.200 -1.784 0.000 0.882 1065 S HN 0.171 nan 8.310 nan 0.000 0.498 1066 Y N 1.932 122.046 120.300 -0.310 0.000 2.286 1066 Y HA 0.658 5.301 4.550 0.156 0.000 0.347 1066 Y C 1.254 177.049 175.900 -0.174 0.000 1.351 1066 Y CA -0.989 57.013 58.100 -0.164 0.000 1.640 1066 Y CB 0.504 38.922 38.460 -0.070 0.000 1.560 1066 Y HN 0.878 nan 8.280 nan 0.000 0.574 1067 S N -1.363 114.355 115.700 0.031 0.000 2.547 1067 S HA 0.339 4.903 4.470 0.156 0.000 0.270 1067 S C 0.098 174.646 174.600 -0.086 0.000 1.150 1067 S CA -0.338 57.832 58.200 -0.051 0.000 0.850 1067 S CB 1.068 64.224 63.200 -0.072 0.000 1.118 1067 S HN 0.576 nan 8.310 nan 0.000 0.461 1068 V N 3.519 123.238 119.914 -0.326 0.000 2.214 1068 V HA 0.104 4.318 4.120 0.156 0.000 0.244 1068 V C 0.018 175.782 176.094 -0.550 0.000 1.045 1068 V CA 1.421 63.279 62.300 -0.737 0.000 0.993 1068 V CB -0.236 30.666 31.823 -1.535 0.000 0.633 1068 V HN 0.733 nan 8.190 nan 0.000 0.449 1069 W N -0.101 121.170 121.300 -0.049 0.000 2.627 1069 W HA 0.489 5.243 4.660 0.156 0.000 0.339 1069 W C 0.051 176.525 176.519 -0.075 0.000 1.058 1069 W CA -1.215 56.144 57.345 0.022 0.000 1.223 1069 W CB 0.649 30.093 29.460 -0.027 0.000 1.389 1069 W HN 0.060 nan 8.180 nan 0.000 0.541 1070 K N 0.708 121.100 120.400 -0.014 0.000 2.513 1070 K HA -0.021 4.392 4.320 0.156 0.000 0.275 1070 K C 1.156 177.722 176.600 -0.057 0.000 1.025 1070 K CA 1.904 58.062 56.287 -0.215 0.000 1.125 1070 K CB 0.000 32.305 32.500 -0.325 0.000 0.843 1070 K HN 0.872 nan 8.250 nan 0.000 0.486 1071 G N 2.578 111.329 108.800 -0.081 0.000 2.302 1071 G HA2 -0.318 3.736 3.960 0.156 0.000 0.263 1071 G HA3 -0.318 3.736 3.960 0.156 0.000 0.263 1071 G C 0.638 175.538 174.900 -0.001 0.000 0.995 1071 G CA 0.358 45.429 45.100 -0.047 0.000 0.622 1071 G HN 0.943 nan 8.290 nan 0.000 0.538 1072 G N 0.622 109.453 108.800 0.052 0.000 2.707 1072 G HA2 0.443 4.497 3.960 0.156 0.000 0.231 1072 G HA3 0.443 4.497 3.960 0.156 0.000 0.231 1072 G C 0.782 175.703 174.900 0.034 0.000 1.246 1072 G CA 1.069 46.225 45.100 0.094 0.000 0.852 1072 G HN 1.841 nan 8.290 nan 0.000 0.584 1073 S N 0.436 116.169 115.700 0.055 0.000 2.546 1073 S HA 0.375 4.939 4.470 0.156 0.000 0.290 1073 S C 0.778 175.390 174.600 0.019 0.000 1.290 1073 S CA -0.191 58.039 58.200 0.050 0.000 1.069 1073 S CB 0.872 64.122 63.200 0.083 0.000 0.846 1073 S HN 1.647 nan 8.310 nan 0.000 0.495 1074 A N 3.713 126.533 122.820 0.001 0.000 2.580 1074 A HA 0.388 4.802 4.320 0.156 0.000 0.244 1074 A C 0.905 178.521 177.584 0.054 0.000 1.045 1074 A CA 0.041 52.045 52.037 -0.055 0.000 0.761 1074 A CB -0.622 18.236 19.000 -0.237 0.000 0.962 1074 A HN 1.469 nan 8.150 nan 0.000 0.512 1075 S N 2.429 118.139 115.700 0.017 0.000 2.457 1075 S HA 0.330 4.894 4.470 0.156 0.000 0.289 1075 S C 0.906 175.625 174.600 0.199 0.000 1.163 1075 S CA 0.128 58.366 58.200 0.064 0.000 1.078 1075 S CB 1.406 64.563 63.200 -0.072 0.000 0.987 1075 S HN 0.720 nan 8.310 nan 0.000 0.482 1076 T N 2.216 116.877 114.554 0.177 0.000 2.777 1076 T HA -0.121 4.323 4.350 0.156 0.000 0.266 1076 T C 1.248 176.087 174.700 0.232 0.000 1.040 1076 T CA 1.695 63.893 62.100 0.164 0.000 1.141 1076 T CB -0.578 68.183 68.868 -0.179 0.000 0.868 1076 T HN 0.807 nan 8.240 nan 0.000 0.444 1077 W N 1.181 122.498 121.300 0.029 0.000 2.290 1077 W HA -0.205 4.549 4.660 0.157 0.000 0.328 1077 W C 2.027 178.474 176.519 -0.120 0.000 1.272 1077 W CA 1.717 59.035 57.345 -0.045 0.000 1.262 1077 W CB -0.644 28.830 29.460 0.023 0.000 1.151 1077 W HN 0.275 nan 8.180 nan 0.000 0.473 1078 L N -0.039 121.396 121.223 0.353 0.000 2.395 1078 L HA -0.092 4.342 4.340 0.156 0.000 0.218 1078 L C 2.217 179.120 176.870 0.055 0.000 1.130 1078 L CA 1.582 56.514 54.840 0.154 0.000 0.826 1078 L CB -0.595 41.573 42.059 0.181 0.000 0.941 1078 L HN -0.081 nan 8.230 nan 0.000 0.451 1079 T N -0.221 114.396 114.554 0.104 0.000 2.833 1079 T HA -0.141 4.303 4.350 0.156 0.000 0.269 1079 T C 1.766 176.441 174.700 -0.041 0.000 1.054 1079 T CA 1.289 63.441 62.100 0.087 0.000 1.135 1079 T CB -0.090 68.993 68.868 0.358 0.000 0.869 1079 T HN 0.558 nan 8.240 nan 0.000 0.466 1080 A N 0.766 123.568 122.820 -0.030 0.000 1.850 1080 A HA 0.154 4.568 4.320 0.156 0.000 0.212 1080 A C 1.948 179.445 177.584 -0.145 0.000 1.208 1080 A CA 0.801 52.784 52.037 -0.090 0.000 0.609 1080 A CB -1.129 17.824 19.000 -0.077 0.000 0.860 1080 A HN 0.461 nan 8.150 nan 0.000 0.448 1081 F N 1.290 120.990 119.950 -0.417 0.000 2.141 1081 F HA -0.316 4.305 4.527 0.156 0.000 0.300 1081 F C 2.426 178.110 175.800 -0.194 0.000 1.079 1081 F CA 1.678 59.466 58.000 -0.352 0.000 1.264 1081 F CB -0.127 38.521 39.000 -0.586 0.000 1.011 1081 F HN 0.270 nan 8.300 nan 0.000 0.487 1082 A N 0.501 123.354 122.820 0.054 0.000 1.855 1082 A HA -0.137 4.277 4.320 0.156 0.000 0.215 1082 A C 2.197 179.639 177.584 -0.237 0.000 1.191 1082 A CA 1.649 53.639 52.037 -0.078 0.000 0.613 1082 A CB -1.204 17.691 19.000 -0.174 0.000 0.829 1082 A HN 0.477 nan 8.150 nan 0.000 0.442 1083 L N -0.721 120.325 121.223 -0.294 0.000 1.991 1083 L HA -0.355 4.079 4.340 0.156 0.000 0.221 1083 L C 2.773 179.527 176.870 -0.193 0.000 1.079 1083 L CA 2.412 57.111 54.840 -0.234 0.000 0.778 1083 L CB -0.535 41.432 42.059 -0.153 0.000 0.893 1083 L HN 0.614 nan 8.230 nan 0.000 0.437 1084 R N 0.022 120.403 120.500 -0.197 0.000 2.154 1084 R HA -0.213 4.220 4.340 0.156 0.000 0.236 1084 R C 1.842 177.975 176.300 -0.279 0.000 1.121 1084 R CA 2.763 58.728 56.100 -0.224 0.000 0.915 1084 R CB -0.911 29.228 30.300 -0.269 0.000 0.856 1084 R HN 0.217 nan 8.270 nan 0.000 0.431 1085 V N 1.288 120.987 119.914 -0.357 0.000 3.141 1085 V HA -0.114 4.099 4.120 0.156 0.000 0.265 1085 V C 2.297 178.209 176.094 -0.304 0.000 1.126 1085 V CA 0.846 62.936 62.300 -0.350 0.000 1.141 1085 V CB -0.479 31.163 31.823 -0.301 0.000 0.743 1085 V HN 0.322 nan 8.190 nan 0.000 0.492 1086 L N 1.190 122.278 121.223 -0.225 0.000 2.044 1086 L HA 0.005 4.439 4.340 0.156 0.000 0.205 1086 L C 2.533 179.293 176.870 -0.184 0.000 1.075 1086 L CA 2.413 57.149 54.840 -0.173 0.000 0.747 1086 L CB -1.582 40.389 42.059 -0.146 0.000 0.903 1086 L HN 0.462 nan 8.230 nan 0.000 0.435 1087 G N -1.506 107.185 108.800 -0.182 0.000 2.511 1087 G HA2 -0.178 3.876 3.960 0.156 0.000 0.217 1087 G HA3 -0.178 3.876 3.960 0.156 0.000 0.217 1087 G C 1.482 176.270 174.900 -0.185 0.000 1.133 1087 G CA -0.009 45.003 45.100 -0.147 0.000 0.792 1087 G HN 0.412 nan 8.290 nan 0.000 0.539 1088 Q N -0.043 119.572 119.800 -0.309 0.000 2.020 1088 Q HA -0.024 4.410 4.340 0.156 0.000 0.198 1088 Q C 2.632 178.212 176.000 -0.699 0.000 0.974 1088 Q CA 1.259 56.774 55.803 -0.481 0.000 0.829 1088 Q CB -0.193 28.110 28.738 -0.725 0.000 0.894 1088 Q HN 0.371 nan 8.270 nan 0.000 0.433 1089 V N 2.385 121.843 119.914 -0.759 0.000 3.305 1089 V HA -0.151 4.063 4.120 0.156 0.000 0.269 1089 V C 1.851 177.884 176.094 -0.103 0.000 1.157 1089 V CA 1.036 63.111 62.300 -0.375 0.000 1.157 1089 V CB -0.763 30.897 31.823 -0.272 0.000 0.772 1089 V HN 0.397 nan 8.190 nan 0.000 0.498 1090 N N 1.111 119.726 118.700 -0.141 0.000 2.443 1090 N HA -0.159 4.675 4.740 0.156 0.000 0.184 1090 N C 1.756 177.218 175.510 -0.080 0.000 1.037 1090 N CA 1.057 54.059 53.050 -0.080 0.000 0.896 1090 N CB -0.043 38.394 38.487 -0.084 0.000 0.959 1090 N HN 0.467 nan 8.380 nan 0.000 0.442 1091 K N -0.677 119.627 120.400 -0.160 0.000 2.103 1091 K HA -0.156 4.258 4.320 0.156 0.000 0.207 1091 K C 0.571 176.937 176.600 -0.390 0.000 1.048 1091 K CA 1.338 57.388 56.287 -0.395 0.000 0.930 1091 K CB -0.013 32.021 32.500 -0.777 0.000 0.716 1091 K HN 0.390 nan 8.250 nan 0.000 0.444 1092 Y N -1.882 118.577 120.300 0.264 0.000 2.499 1092 Y HA 0.207 4.850 4.550 0.155 0.000 0.253 1092 Y C -0.086 175.868 175.900 0.090 0.000 1.105 1092 Y CA -0.478 57.772 58.100 0.251 0.000 1.240 1092 Y CB 1.188 39.895 38.460 0.413 0.000 1.289 1092 Y HN -0.336 nan 8.280 nan 0.000 0.534 1093 V N 1.682 121.689 119.914 0.156 0.000 2.443 1093 V HA 0.125 4.339 4.120 0.156 0.000 0.272 1093 V C -0.278 175.837 176.094 0.035 0.000 1.002 1093 V CA -1.293 61.049 62.300 0.070 0.000 0.840 1093 V CB 1.354 33.200 31.823 0.038 0.000 1.042 1093 V HN 0.202 nan 8.190 nan 0.000 0.446 1094 E N 4.113 124.335 120.200 0.036 0.000 2.652 1094 E HA 0.001 4.445 4.350 0.156 0.000 0.255 1094 E C -0.311 176.293 176.600 0.008 0.000 0.952 1094 E CA 0.186 56.597 56.400 0.018 0.000 0.947 1094 E CB 0.593 30.307 29.700 0.023 0.000 0.912 1094 E HN 0.520 nan 8.360 nan 0.000 0.489 1095 Q N 2.973 122.770 119.800 -0.006 0.000 2.204 1095 Q HA 0.174 4.608 4.340 0.156 0.000 0.254 1095 Q C -0.555 175.443 176.000 -0.002 0.000 0.981 1095 Q CA -0.753 55.048 55.803 -0.004 0.000 0.897 1095 Q CB 1.066 29.793 28.738 -0.019 0.000 1.273 1095 Q HN 0.635 nan 8.270 nan 0.000 0.464 1096 N N 0.987 119.694 118.700 0.011 0.000 2.427 1096 N HA -0.085 4.749 4.740 0.156 0.000 0.269 1096 N C 0.971 176.472 175.510 -0.014 0.000 1.235 1096 N CA 0.166 53.222 53.050 0.011 0.000 0.934 1096 N CB 0.651 39.160 38.487 0.036 0.000 1.121 1096 N HN 0.472 nan 8.380 nan 0.000 0.480 1097 Q N 3.328 123.112 119.800 -0.027 0.000 1.857 1097 Q HA -0.335 4.099 4.340 0.156 0.000 0.237 1097 Q C 1.500 177.452 176.000 -0.079 0.000 1.004 1097 Q CA 1.685 57.457 55.803 -0.053 0.000 0.881 1097 Q CB -0.263 28.444 28.738 -0.051 0.000 0.946 1097 Q HN 0.776 nan 8.270 nan 0.000 0.421 1098 N N -0.072 118.574 118.700 -0.090 0.000 2.417 1098 N HA -0.187 4.647 4.740 0.156 0.000 0.187 1098 N C 1.670 177.024 175.510 -0.260 0.000 1.027 1098 N CA 1.216 54.174 53.050 -0.153 0.000 0.891 1098 N CB -0.082 38.323 38.487 -0.136 0.000 0.956 1098 N HN 0.261 nan 8.380 nan 0.000 0.442 1099 S N 0.774 116.377 115.700 -0.162 0.000 2.361 1099 S HA -0.067 4.497 4.470 0.156 0.000 0.214 1099 S C 2.084 176.623 174.600 -0.100 0.000 1.034 1099 S CA 0.660 58.785 58.200 -0.126 0.000 1.025 1099 S CB -0.297 62.943 63.200 0.066 0.000 0.996 1099 S HN 0.246 nan 8.310 nan 0.000 0.422 1100 I N 1.635 122.180 120.570 -0.043 0.000 2.185 1100 I HA -0.226 4.038 4.170 0.156 0.000 0.246 1100 I C 2.746 178.819 176.117 -0.074 0.000 1.088 1100 I CA 1.061 62.333 61.300 -0.047 0.000 1.347 1100 I CB -1.704 36.258 38.000 -0.064 0.000 1.041 1100 I HN 0.486 nan 8.210 nan 0.000 0.415 1101 c N 1.239 119.773 118.600 -0.111 0.000 2.382 1101 c HA -0.253 4.410 4.570 0.156 0.000 0.281 1101 c C 2.698 176.735 174.090 -0.087 0.000 1.191 1101 c CA 1.486 57.748 56.329 -0.113 0.000 1.772 1101 c CB -1.394 41.037 42.510 -0.131 0.000 2.013 1101 c HN 0.566 nan 8.230 nan 0.000 0.437 1102 N N 0.853 119.456 118.700 -0.163 0.000 2.132 1102 N HA -0.131 4.703 4.740 0.156 0.000 0.191 1102 N C 1.784 177.341 175.510 0.078 0.000 1.015 1102 N CA 1.717 54.712 53.050 -0.091 0.000 0.864 1102 N CB -0.690 37.597 38.487 -0.333 0.000 1.006 1102 N HN 0.524 nan 8.380 nan 0.000 0.430 1103 S N 1.258 116.995 115.700 0.061 0.000 2.374 1103 S HA -0.094 4.470 4.470 0.156 0.000 0.227 1103 S C 2.142 176.840 174.600 0.164 0.000 1.037 1103 S CA 0.895 59.182 58.200 0.146 0.000 1.024 1103 S CB -0.263 62.977 63.200 0.066 0.000 0.861 1103 S HN 0.259 nan 8.310 nan 0.000 0.456 1104 L N 0.609 121.888 121.223 0.093 0.000 1.973 1104 L HA -0.040 4.393 4.340 0.156 0.000 0.208 1104 L C 2.042 179.005 176.870 0.155 0.000 1.073 1104 L CA 1.017 55.923 54.840 0.110 0.000 0.746 1104 L CB -0.617 41.470 42.059 0.047 0.000 0.891 1104 L HN 0.226 nan 8.230 nan 0.000 0.433 1105 L N -1.211 120.083 121.223 0.118 0.000 2.661 1105 L HA -0.235 4.199 4.340 0.156 0.000 0.236 1105 L C 2.058 179.040 176.870 0.187 0.000 1.176 1105 L CA 0.952 55.860 54.840 0.113 0.000 0.836 1105 L CB -0.481 41.620 42.059 0.070 0.000 0.960 1105 L HN 0.413 nan 8.230 nan 0.000 0.455 1106 W N 0.202 121.544 121.300 0.070 0.000 2.501 1106 W HA -0.054 4.700 4.660 0.157 0.000 0.309 1106 W C 2.010 178.599 176.519 0.116 0.000 1.165 1106 W CA 0.899 58.308 57.345 0.106 0.000 1.381 1106 W CB -0.292 29.246 29.460 0.130 0.000 1.142 1106 W HN -0.057 nan 8.180 nan 0.000 0.509 1107 L N 0.445 121.685 121.223 0.029 0.000 1.955 1107 L HA -0.248 4.186 4.340 0.156 0.000 0.213 1107 L C 2.558 179.222 176.870 -0.343 0.000 1.072 1107 L CA 2.166 56.861 54.840 -0.241 0.000 0.755 1107 L CB -2.161 39.956 42.059 0.096 0.000 0.888 1107 L HN 0.058 nan 8.230 nan 0.000 0.432 1108 V N 0.260 120.084 119.914 -0.150 0.000 2.218 1108 V HA -0.386 3.828 4.120 0.156 0.000 0.251 1108 V C 2.362 178.324 176.094 -0.220 0.000 1.057 1108 V CA 2.518 64.718 62.300 -0.166 0.000 1.022 1108 V CB -0.491 31.341 31.823 0.014 0.000 0.645 1108 V HN 0.644 nan 8.190 nan 0.000 0.451 1109 E N -0.189 119.933 120.200 -0.130 0.000 2.331 1109 E HA -0.202 4.241 4.350 0.156 0.000 0.199 1109 E C 1.633 178.108 176.600 -0.208 0.000 1.008 1109 E CA 1.720 58.048 56.400 -0.121 0.000 0.843 1109 E CB -0.229 29.447 29.700 -0.040 0.000 0.761 1109 E HN 0.853 nan 8.360 nan 0.000 0.507 1110 N N -1.327 117.176 118.700 -0.327 0.000 2.474 1110 N HA 0.043 4.877 4.740 0.156 0.000 0.224 1110 N C 0.150 175.191 175.510 -0.782 0.000 1.092 1110 N CA 0.044 52.789 53.050 -0.509 0.000 0.844 1110 N CB 0.506 38.686 38.487 -0.511 0.000 1.381 1110 N HN 0.007 nan 8.380 nan 0.000 0.458 1111 Y N 1.132 121.063 120.300 -0.615 0.000 2.736 1111 Y HA 0.355 4.999 4.550 0.156 0.000 0.293 1111 Y C -0.318 175.115 175.900 -0.778 0.000 1.062 1111 Y CA -0.423 57.318 58.100 -0.599 0.000 1.247 1111 Y CB 0.590 38.676 38.460 -0.623 0.000 1.200 1111 Y HN -0.030 nan 8.280 nan 0.000 0.552 1112 Q N 1.751 121.168 119.800 -0.638 0.000 2.464 1112 Q HA 0.358 4.792 4.340 0.156 0.000 0.256 1112 Q C -0.889 174.957 176.000 -0.255 0.000 1.020 1112 Q CA -0.428 54.988 55.803 -0.644 0.000 0.716 1112 Q CB 0.781 29.087 28.738 -0.720 0.000 1.230 1112 Q HN 0.461 nan 8.270 nan 0.000 0.494 1113 L N 1.761 122.890 121.223 -0.156 0.000 2.498 1113 L HA -0.076 4.358 4.340 0.156 0.000 0.293 1113 L C 0.825 177.667 176.870 -0.046 0.000 1.271 1113 L CA 0.203 54.989 54.840 -0.089 0.000 0.831 1113 L CB 0.319 42.348 42.059 -0.049 0.000 1.091 1113 L HN 0.635 nan 8.230 nan 0.000 0.535 1114 D N 1.435 121.820 120.400 -0.025 0.000 2.636 1114 D HA -0.033 4.701 4.640 0.156 0.000 0.256 1114 D C 0.539 176.864 176.300 0.041 0.000 1.280 1114 D CA 0.624 54.625 54.000 0.000 0.000 0.910 1114 D CB -0.570 40.228 40.800 -0.002 0.000 1.045 1114 D HN 0.657 nan 8.370 nan 0.000 0.472 1115 N N -3.090 115.648 118.700 0.063 0.000 2.194 1115 N HA 0.084 4.918 4.740 0.156 0.000 0.233 1115 N C 1.074 176.684 175.510 0.167 0.000 1.392 1115 N CA -0.017 53.117 53.050 0.139 0.000 0.790 1115 N CB 0.427 39.040 38.487 0.210 0.000 1.291 1115 N HN -0.032 nan 8.380 nan 0.000 0.518 1116 G N 0.919 109.773 108.800 0.090 0.000 2.189 1116 G HA2 -0.397 3.657 3.960 0.156 0.000 0.267 1116 G HA3 -0.397 3.657 3.960 0.156 0.000 0.267 1116 G C 0.228 175.148 174.900 0.034 0.000 0.975 1116 G CA 0.763 45.927 45.100 0.108 0.000 0.644 1116 G HN 0.941 nan 8.290 nan 0.000 0.537 1117 S N -0.623 114.946 115.700 -0.218 0.000 2.645 1117 S HA 0.758 5.322 4.470 0.156 0.000 0.266 1117 S C -0.375 174.301 174.600 0.127 0.000 1.258 1117 S CA -0.557 57.362 58.200 -0.467 0.000 0.990 1117 S CB 1.272 63.793 63.200 -1.130 0.000 0.967 1117 S HN 0.504 nan 8.310 nan 0.000 0.556 1118 F N 1.391 121.194 119.950 -0.245 0.000 2.403 1118 F HA 0.416 5.036 4.527 0.156 0.000 0.355 1118 F C 0.267 176.064 175.800 -0.006 0.000 1.119 1118 F CA -1.367 56.582 58.000 -0.086 0.000 1.007 1118 F CB 1.570 40.541 39.000 -0.048 0.000 1.194 1118 F HN 0.707 nan 8.300 nan 0.000 0.443 1119 K N 1.110 121.571 120.400 0.101 0.000 2.322 1119 K HA 0.396 4.810 4.320 0.156 0.000 0.283 1119 K C -0.246 176.481 176.600 0.211 0.000 1.042 1119 K CA -0.630 55.739 56.287 0.137 0.000 0.958 1119 K CB 1.334 33.883 32.500 0.083 0.000 0.984 1119 K HN 0.375 nan 8.250 nan 0.000 0.473 1120 E N 2.540 122.851 120.200 0.185 0.000 2.316 1120 E HA -0.002 4.442 4.350 0.156 0.000 0.275 1120 E C 0.156 176.849 176.600 0.155 0.000 1.029 1120 E CA -0.113 56.383 56.400 0.160 0.000 0.871 1120 E CB 1.050 30.857 29.700 0.178 0.000 1.022 1120 E HN 0.761 nan 8.360 nan 0.000 0.418 1121 N N 2.787 121.535 118.700 0.080 0.000 2.081 1121 N HA -0.117 4.717 4.740 0.156 0.000 0.191 1121 N C 0.133 175.733 175.510 0.150 0.000 1.053 1121 N CA 1.407 54.560 53.050 0.172 0.000 0.846 1121 N CB -0.251 38.272 38.487 0.059 0.000 1.032 1121 N HN 0.560 nan 8.380 nan 0.000 0.431 1122 S N -0.374 115.395 115.700 0.116 0.000 2.658 1122 S HA -0.041 4.523 4.470 0.156 0.000 0.249 1122 S C 0.789 175.460 174.600 0.117 0.000 1.363 1122 S CA -0.078 58.188 58.200 0.110 0.000 0.964 1122 S CB 0.082 63.328 63.200 0.076 0.000 0.973 1122 S HN 0.443 nan 8.310 nan 0.000 0.588 1123 Q N -1.124 118.751 119.800 0.125 0.000 2.403 1123 Q HA 0.113 4.547 4.340 0.156 0.000 0.203 1123 Q C -0.744 175.326 176.000 0.117 0.000 0.932 1123 Q CA -0.136 55.733 55.803 0.111 0.000 0.945 1123 Q CB -0.151 28.649 28.738 0.104 0.000 1.045 1123 Q HN 0.690 nan 8.270 nan 0.000 0.511 1124 Y N 3.314 123.585 120.300 -0.049 0.000 2.729 1124 Y HA -0.134 4.511 4.550 0.157 0.000 0.331 1124 Y C 0.003 175.809 175.900 -0.157 0.000 1.208 1124 Y CA 0.266 58.278 58.100 -0.147 0.000 1.521 1124 Y CB 0.350 38.624 38.460 -0.310 0.000 1.233 1124 Y HN 0.038 nan 8.280 nan 0.000 0.539 1125 Q N 8.787 128.273 119.800 -0.523 0.000 2.368 1125 Q HA 0.236 4.670 4.340 0.156 0.000 0.256 1125 Q C -2.127 173.335 176.000 -0.896 0.000 0.980 1125 Q CA -1.959 53.539 55.803 -0.508 0.000 0.887 1125 Q CB 1.578 30.157 28.738 -0.264 0.000 1.221 1125 Q HN 0.491 nan 8.270 nan 0.000 0.458 1126 P HA 0.000 nan 4.420 nan 0.000 0.216 1126 P C 0.039 177.324 177.300 -0.025 0.000 1.154 1126 P CA 0.608 63.329 63.100 -0.632 0.000 0.857 1126 P CB 0.333 31.515 31.700 -0.864 0.000 0.787 1127 I N -3.348 117.103 120.570 -0.199 0.000 2.569 1127 I HA 0.582 4.845 4.170 0.156 0.000 0.296 1127 I C -0.272 175.739 176.117 -0.177 0.000 1.028 1127 I CA -2.364 58.843 61.300 -0.155 0.000 1.082 1127 I CB 1.101 38.946 38.000 -0.258 0.000 1.264 1127 I HN -0.368 nan 8.210 nan 0.000 0.429 1128 K N 5.485 125.793 120.400 -0.153 0.000 2.284 1128 K HA 0.510 4.924 4.320 0.156 0.000 0.287 1128 K C -1.173 175.365 176.600 -0.103 0.000 1.081 1128 K CA -0.001 56.211 56.287 -0.124 0.000 0.910 1128 K CB 0.012 32.435 32.500 -0.127 0.000 1.088 1128 K HN 0.747 nan 8.250 nan 0.000 0.478 1129 L N 4.629 125.820 121.223 -0.053 0.000 2.334 1129 L HA 0.275 4.708 4.340 0.156 0.000 0.277 1129 L C 0.755 177.641 176.870 0.026 0.000 1.075 1129 L CA -0.732 54.109 54.840 0.003 0.000 0.804 1129 L CB 1.420 43.518 42.059 0.065 0.000 1.174 1129 L HN 0.664 nan 8.230 nan 0.000 0.438 1130 Q N 1.258 121.084 119.800 0.043 0.000 2.471 1130 Q HA 0.524 4.957 4.340 0.156 0.000 0.223 1130 Q C 0.296 176.332 176.000 0.059 0.000 1.045 1130 Q CA 0.055 55.886 55.803 0.047 0.000 0.956 1130 Q CB 1.059 29.830 28.738 0.056 0.000 1.249 1130 Q HN 0.859 nan 8.270 nan 0.000 0.549 1131 G N 0.025 108.850 108.800 0.042 0.000 2.555 1131 G HA2 -0.152 3.901 3.960 0.156 0.000 0.686 1131 G HA3 -0.152 3.901 3.960 0.156 0.000 0.686 1131 G C -0.549 174.372 174.900 0.034 0.000 1.275 1131 G CA -0.674 44.452 45.100 0.044 0.000 0.871 1131 G HN 0.551 nan 8.290 nan 0.000 0.603 1132 T N 0.675 115.249 114.554 0.032 0.000 2.791 1132 T HA 0.291 4.735 4.350 0.156 0.000 0.323 1132 T C 2.064 176.786 174.700 0.036 0.000 1.082 1132 T CA 0.493 62.610 62.100 0.028 0.000 1.084 1132 T CB 0.537 69.422 68.868 0.027 0.000 0.992 1132 T HN 0.707 nan 8.240 nan 0.000 0.547 1133 L N 2.129 123.371 121.223 0.032 0.000 2.129 1133 L HA -0.009 4.425 4.340 0.156 0.000 0.212 1133 L C -0.517 176.379 176.870 0.043 0.000 1.087 1133 L CA 1.936 56.798 54.840 0.036 0.000 0.757 1133 L CB -1.885 40.193 42.059 0.032 0.000 0.896 1133 L HN 0.572 nan 8.230 nan 0.000 0.434 1134 P HA -0.051 nan 4.420 nan 0.000 0.213 1134 P C 2.099 179.434 177.300 0.058 0.000 1.169 1134 P CA 0.745 63.874 63.100 0.048 0.000 0.885 1134 P CB 0.065 31.790 31.700 0.041 0.000 0.779 1135 V N 0.788 120.735 119.914 0.056 0.000 2.215 1135 V HA -0.345 3.869 4.120 0.156 0.000 0.249 1135 V C 2.524 178.666 176.094 0.080 0.000 1.054 1135 V CA 2.525 64.865 62.300 0.067 0.000 1.012 1135 V CB -1.309 30.552 31.823 0.064 0.000 0.639 1135 V HN 0.247 nan 8.190 nan 0.000 0.448 1136 E N -0.214 120.031 120.200 0.074 0.000 2.164 1136 E HA -0.348 4.096 4.350 0.156 0.000 0.206 1136 E C 2.098 178.754 176.600 0.094 0.000 1.032 1136 E CA 1.920 58.368 56.400 0.080 0.000 0.832 1136 E CB -0.321 29.415 29.700 0.060 0.000 0.742 1136 E HN 0.600 nan 8.360 nan 0.000 0.460 1137 A N 1.149 124.021 122.820 0.086 0.000 1.851 1137 A HA -0.232 4.182 4.320 0.156 0.000 0.216 1137 A C 2.249 179.909 177.584 0.126 0.000 1.195 1137 A CA 1.850 53.945 52.037 0.097 0.000 0.622 1137 A CB -0.731 18.319 19.000 0.083 0.000 0.831 1137 A HN 0.309 nan 8.150 nan 0.000 0.444 1138 R N -0.700 119.874 120.500 0.123 0.000 2.105 1138 R HA -0.158 4.276 4.340 0.156 0.000 0.239 1138 R C 2.101 178.506 176.300 0.174 0.000 1.135 1138 R CA 1.624 57.813 56.100 0.148 0.000 0.967 1138 R CB -0.168 30.198 30.300 0.110 0.000 0.861 1138 R HN 0.558 nan 8.270 nan 0.000 0.442 1139 E N 0.157 120.450 120.200 0.155 0.000 2.028 1139 E HA -0.212 4.232 4.350 0.156 0.000 0.191 1139 E C 1.625 178.360 176.600 0.225 0.000 0.988 1139 E CA 1.132 57.641 56.400 0.181 0.000 0.799 1139 E CB -0.462 29.335 29.700 0.161 0.000 0.755 1139 E HN 0.497 nan 8.360 nan 0.000 0.447 1140 N N 0.350 119.163 118.700 0.189 0.000 2.223 1140 N HA -0.157 4.677 4.740 0.156 0.000 0.185 1140 N C 1.983 177.639 175.510 0.244 0.000 1.016 1140 N CA 1.121 54.288 53.050 0.196 0.000 0.863 1140 N CB 0.074 38.636 38.487 0.125 0.000 0.983 1140 N HN -0.033 nan 8.380 nan 0.000 0.429 1141 S N 0.678 116.512 115.700 0.224 0.000 2.368 1141 S HA -0.065 4.499 4.470 0.156 0.000 0.224 1141 S C 2.002 176.753 174.600 0.251 0.000 1.029 1141 S CA 0.466 58.797 58.200 0.217 0.000 0.988 1141 S CB -0.333 63.004 63.200 0.229 0.000 0.838 1141 S HN 0.385 nan 8.310 nan 0.000 0.462 1142 L N -0.117 121.303 121.223 0.329 0.000 1.989 1142 L HA -0.110 4.324 4.340 0.156 0.000 0.211 1142 L C 2.339 179.350 176.870 0.236 0.000 1.071 1142 L CA 2.238 57.283 54.840 0.342 0.000 0.749 1142 L CB -0.638 41.576 42.059 0.259 0.000 0.890 1142 L HN 0.551 nan 8.230 nan 0.000 0.431 1143 Y N -0.175 120.217 120.300 0.154 0.000 2.053 1143 Y HA -0.386 4.258 4.550 0.156 0.000 0.277 1143 Y C 2.386 178.402 175.900 0.194 0.000 1.159 1143 Y CA 2.098 60.287 58.100 0.149 0.000 1.125 1143 Y CB -0.296 38.310 38.460 0.244 0.000 0.969 1143 Y HN 0.162 nan 8.280 nan 0.000 0.492 1144 L N 0.027 121.563 121.223 0.521 0.000 1.956 1144 L HA -0.282 4.152 4.340 0.156 0.000 0.216 1144 L C 2.414 179.370 176.870 0.143 0.000 1.073 1144 L CA 2.788 57.878 54.840 0.417 0.000 0.762 1144 L CB -1.204 41.073 42.059 0.364 0.000 0.889 1144 L HN 0.348 nan 8.230 nan 0.000 0.433 1145 T N -0.554 114.023 114.554 0.038 0.000 2.946 1145 T HA -0.166 4.277 4.350 0.156 0.000 0.271 1145 T C 1.774 176.357 174.700 -0.196 0.000 1.104 1145 T CA 1.002 62.991 62.100 -0.185 0.000 1.114 1145 T CB -0.502 68.196 68.868 -0.283 0.000 0.867 1145 T HN 0.501 nan 8.240 nan 0.000 0.513 1146 A N 0.500 123.245 122.820 -0.126 0.000 1.898 1146 A HA 0.186 4.600 4.320 0.156 0.000 0.214 1146 A C 1.977 179.415 177.584 -0.243 0.000 1.183 1146 A CA 0.662 52.567 52.037 -0.221 0.000 0.622 1146 A CB -0.784 18.016 19.000 -0.332 0.000 0.824 1146 A HN 0.516 nan 8.150 nan 0.000 0.444 1147 F N 0.465 120.200 119.950 -0.359 0.000 2.163 1147 F HA -0.122 4.499 4.527 0.156 0.000 0.297 1147 F C 2.889 178.539 175.800 -0.250 0.000 1.094 1147 F CA 1.605 59.411 58.000 -0.323 0.000 1.290 1147 F CB 0.074 38.884 39.000 -0.316 0.000 1.017 1147 F HN 0.333 nan 8.300 nan 0.000 0.483 1148 T N -0.978 113.588 114.554 0.021 0.000 2.746 1148 T HA -0.168 4.276 4.350 0.156 0.000 0.267 1148 T C 1.955 176.544 174.700 -0.185 0.000 1.039 1148 T CA 1.786 63.821 62.100 -0.108 0.000 1.142 1148 T CB -0.835 67.870 68.868 -0.270 0.000 0.866 1148 T HN 0.075 nan 8.240 nan 0.000 0.444 1149 V N 1.985 121.728 119.914 -0.285 0.000 2.233 1149 V HA -0.161 4.053 4.120 0.156 0.000 0.247 1149 V C 2.714 178.723 176.094 -0.142 0.000 1.050 1149 V CA 2.313 64.470 62.300 -0.238 0.000 1.010 1149 V CB -0.726 30.953 31.823 -0.240 0.000 0.637 1149 V HN 0.583 nan 8.190 nan 0.000 0.444 1150 I N 0.475 120.970 120.570 -0.125 0.000 2.113 1150 I HA -0.266 3.997 4.170 0.156 0.000 0.242 1150 I C 2.625 178.713 176.117 -0.048 0.000 1.064 1150 I CA 1.989 63.233 61.300 -0.095 0.000 1.320 1150 I CB -1.467 36.481 38.000 -0.087 0.000 1.028 1150 I HN 0.442 nan 8.210 nan 0.000 0.406 1151 G N 1.939 110.736 108.800 -0.005 0.000 2.679 1151 G HA2 -0.284 3.770 3.960 0.156 0.000 0.217 1151 G HA3 -0.284 3.770 3.960 0.156 0.000 0.217 1151 G C 1.573 176.463 174.900 -0.016 0.000 1.267 1151 G CA 1.458 46.547 45.100 -0.019 0.000 0.799 1151 G HN 0.394 nan 8.290 nan 0.000 0.606 1152 I N 0.649 121.221 120.570 0.002 0.000 2.248 1152 I HA -0.222 4.042 4.170 0.156 0.000 0.248 1152 I C 2.971 179.145 176.117 0.094 0.000 1.107 1152 I CA 1.145 62.482 61.300 0.062 0.000 1.373 1152 I CB -0.266 37.783 38.000 0.083 0.000 1.055 1152 I HN 0.038 nan 8.210 nan 0.000 0.418 1153 R N 1.178 121.682 120.500 0.007 0.000 2.126 1153 R HA -0.127 4.307 4.340 0.156 0.000 0.224 1153 R C 2.238 178.555 176.300 0.029 0.000 1.128 1153 R CA 1.276 57.365 56.100 -0.017 0.000 0.895 1153 R CB -0.958 29.274 30.300 -0.113 0.000 0.817 1153 R HN 0.266 nan 8.270 nan 0.000 0.435 1154 K N 0.452 120.842 120.400 -0.016 0.000 2.148 1154 K HA -0.202 4.212 4.320 0.156 0.000 0.213 1154 K C 1.892 178.491 176.600 -0.002 0.000 1.050 1154 K CA 2.070 58.347 56.287 -0.016 0.000 0.932 1154 K CB -0.394 32.078 32.500 -0.046 0.000 0.717 1154 K HN 0.335 nan 8.250 nan 0.000 0.462 1155 A N -0.169 122.651 122.820 -0.000 0.000 2.147 1155 A HA 0.012 4.426 4.320 0.156 0.000 0.211 1155 A C 1.823 179.418 177.584 0.018 0.000 1.160 1155 A CA 0.094 52.117 52.037 -0.022 0.000 0.781 1155 A CB -0.452 18.512 19.000 -0.060 0.000 0.842 1155 A HN 0.297 nan 8.150 nan 0.000 0.475 1156 F N 1.916 121.833 119.950 -0.055 0.000 2.135 1156 F HA -0.340 4.281 4.527 0.158 0.000 0.300 1156 F C 1.359 177.137 175.800 -0.037 0.000 1.074 1156 F CA 2.371 60.346 58.000 -0.042 0.000 1.262 1156 F CB -0.057 38.917 39.000 -0.044 0.000 1.013 1156 F HN 0.286 nan 8.300 nan 0.000 0.489 1157 D N 0.458 120.889 120.400 0.051 0.000 2.264 1157 D HA -0.117 4.617 4.640 0.156 0.000 0.208 1157 D C 2.019 178.240 176.300 -0.132 0.000 0.966 1157 D CA 1.708 55.705 54.000 -0.005 0.000 0.864 1157 D CB -0.390 40.456 40.800 0.075 0.000 0.933 1157 D HN 0.548 nan 8.370 nan 0.000 0.499 1158 I N -1.931 118.550 120.570 -0.148 0.000 3.419 1158 I HA 0.067 4.331 4.170 0.156 0.000 0.286 1158 I C 1.004 177.010 176.117 -0.185 0.000 1.268 1158 I CA 0.140 61.360 61.300 -0.134 0.000 1.414 1158 I CB 0.168 38.111 38.000 -0.094 0.000 1.074 1158 I HN -0.106 nan 8.210 nan 0.000 0.457 1159 c N 3.739 122.160 118.600 -0.299 0.000 3.290 1159 c HA 0.418 5.082 4.570 0.156 0.000 0.206 1159 c C -2.369 171.383 174.090 -0.564 0.000 1.639 1159 c CA -1.671 54.465 56.329 -0.320 0.000 1.408 1159 c CB -0.519 41.854 42.510 -0.228 0.000 2.197 1159 c HN 0.136 nan 8.230 nan 0.000 0.508 1160 P HA 0.189 nan 4.420 nan 0.000 0.260 1160 P C -0.752 176.374 177.300 -0.290 0.000 1.185 1160 P CA 0.546 63.236 63.100 -0.682 0.000 0.763 1160 P CB 0.815 32.385 31.700 -0.217 0.000 0.776 1161 L N 5.808 126.932 121.223 -0.165 0.000 2.543 1161 L HA 0.096 4.529 4.340 0.156 0.000 0.265 1161 L C 1.083 178.002 176.870 0.082 0.000 0.945 1161 L CA -0.738 54.082 54.840 -0.033 0.000 0.869 1161 L CB 1.367 43.382 42.059 -0.074 0.000 1.294 1161 L HN 0.163 nan 8.230 nan 0.000 0.405 1162 V N 2.522 122.472 119.914 0.061 0.000 2.218 1162 V HA -0.301 3.913 4.120 0.156 0.000 0.251 1162 V C 1.986 178.123 176.094 0.072 0.000 1.057 1162 V CA 2.215 64.555 62.300 0.066 0.000 1.022 1162 V CB -1.122 30.723 31.823 0.037 0.000 0.645 1162 V HN 0.914 nan 8.190 nan 0.000 0.451 1163 K N 0.517 120.947 120.400 0.049 0.000 2.360 1163 K HA -0.076 4.338 4.320 0.156 0.000 0.201 1163 K C 1.929 178.571 176.600 0.070 0.000 1.046 1163 K CA 1.910 58.225 56.287 0.046 0.000 0.940 1163 K CB -0.265 32.252 32.500 0.028 0.000 0.748 1163 K HN 0.887 nan 8.250 nan 0.000 0.465 1164 I N -3.129 117.504 120.570 0.105 0.000 4.035 1164 I HA 0.044 4.308 4.170 0.156 0.000 0.321 1164 I C 1.538 177.795 176.117 0.234 0.000 1.289 1164 I CA 0.303 61.697 61.300 0.157 0.000 1.236 1164 I CB 0.133 38.223 38.000 0.150 0.000 1.076 1164 I HN -0.153 nan 8.210 nan 0.000 0.418 1165 D N 1.734 122.285 120.400 0.251 0.000 2.084 1165 D HA -0.171 4.562 4.640 0.156 0.000 0.196 1165 D C 1.852 178.193 176.300 0.068 0.000 0.985 1165 D CA 2.250 56.349 54.000 0.165 0.000 0.826 1165 D CB -0.149 40.735 40.800 0.141 0.000 0.978 1165 D HN 0.333 nan 8.370 nan 0.000 0.456 1166 T N 0.477 115.074 114.554 0.071 0.000 2.399 1166 T HA -0.294 4.150 4.350 0.156 0.000 0.242 1166 T C 1.918 176.653 174.700 0.059 0.000 1.348 1166 T CA 2.810 64.941 62.100 0.051 0.000 1.200 1166 T CB -1.103 67.795 68.868 0.049 0.000 0.862 1166 T HN 0.337 nan 8.240 nan 0.000 0.404 1167 A N 0.765 123.634 122.820 0.082 0.000 2.009 1167 A HA -0.141 4.273 4.320 0.156 0.000 0.222 1167 A C 2.351 180.001 177.584 0.109 0.000 1.175 1167 A CA 1.789 53.893 52.037 0.113 0.000 0.651 1167 A CB -1.098 17.991 19.000 0.147 0.000 0.815 1167 A HN 0.561 nan 8.150 nan 0.000 0.459 1168 L N -1.317 119.948 121.223 0.071 0.000 2.127 1168 L HA -0.195 4.239 4.340 0.156 0.000 0.211 1168 L C 2.333 179.185 176.870 -0.031 0.000 1.089 1168 L CA 1.390 56.230 54.840 0.000 0.000 0.757 1168 L CB -0.208 41.812 42.059 -0.066 0.000 0.899 1168 L HN 0.453 nan 8.230 nan 0.000 0.434 1169 I N -1.175 119.389 120.570 -0.010 0.000 2.296 1169 I HA -0.195 4.069 4.170 0.156 0.000 0.242 1169 I C 2.296 178.428 176.117 0.025 0.000 1.087 1169 I CA 0.566 61.862 61.300 -0.008 0.000 1.393 1169 I CB -0.276 37.722 38.000 -0.003 0.000 1.093 1169 I HN -0.004 nan 8.210 nan 0.000 0.421 1170 K N 1.034 121.463 120.400 0.049 0.000 2.189 1170 K HA -0.226 4.187 4.320 0.156 0.000 0.207 1170 K C 2.014 178.672 176.600 0.095 0.000 1.046 1170 K CA 1.768 58.101 56.287 0.076 0.000 0.928 1170 K CB -0.694 31.858 32.500 0.087 0.000 0.720 1170 K HN 0.421 nan 8.250 nan 0.000 0.458 1171 A N 1.428 124.287 122.820 0.064 0.000 1.850 1171 A HA -0.116 4.297 4.320 0.156 0.000 0.212 1171 A C 1.837 179.434 177.584 0.022 0.000 1.208 1171 A CA 1.421 53.467 52.037 0.014 0.000 0.609 1171 A CB -0.503 18.432 19.000 -0.109 0.000 0.860 1171 A HN 0.153 nan 8.150 nan 0.000 0.448 1172 D N 0.366 120.753 120.400 -0.023 0.000 2.158 1172 D HA -0.160 4.573 4.640 0.156 0.000 0.197 1172 D C 1.777 178.075 176.300 -0.004 0.000 0.995 1172 D CA 1.205 55.183 54.000 -0.036 0.000 0.846 1172 D CB -0.435 40.322 40.800 -0.072 0.000 0.941 1172 D HN 0.532 nan 8.370 nan 0.000 0.456 1173 N N -0.428 118.286 118.700 0.025 0.000 2.025 1173 N HA -0.186 4.648 4.740 0.156 0.000 0.194 1173 N C 1.857 177.401 175.510 0.058 0.000 1.044 1173 N CA 0.848 53.913 53.050 0.025 0.000 0.851 1173 N CB -0.395 38.123 38.487 0.051 0.000 1.036 1173 N HN 0.151 nan 8.380 nan 0.000 0.422 1174 F N 2.369 122.304 119.950 -0.024 0.000 2.111 1174 F HA -0.243 4.378 4.527 0.157 0.000 0.300 1174 F C 2.167 177.947 175.800 -0.033 0.000 1.088 1174 F CA 1.295 59.287 58.000 -0.012 0.000 1.243 1174 F CB -0.327 38.681 39.000 0.012 0.000 0.996 1174 F HN 0.020 nan 8.300 nan 0.000 0.483 1175 L N -0.237 121.078 121.223 0.152 0.000 1.976 1175 L HA -0.258 4.176 4.340 0.156 0.000 0.209 1175 L C 2.499 179.314 176.870 -0.093 0.000 1.071 1175 L CA 1.735 56.600 54.840 0.041 0.000 0.746 1175 L CB -0.877 41.205 42.059 0.038 0.000 0.890 1175 L HN 0.244 nan 8.230 nan 0.000 0.432 1176 L N -0.520 120.636 121.223 -0.111 0.000 1.956 1176 L HA -0.262 4.172 4.340 0.156 0.000 0.216 1176 L C 2.171 178.946 176.870 -0.159 0.000 1.073 1176 L CA 1.523 56.268 54.840 -0.159 0.000 0.762 1176 L CB -0.786 41.109 42.059 -0.273 0.000 0.889 1176 L HN 0.258 nan 8.230 nan 0.000 0.433 1177 E N 0.008 120.111 120.200 -0.162 0.000 2.526 1177 E HA -0.137 4.307 4.350 0.156 0.000 0.205 1177 E C 0.637 177.095 176.600 -0.237 0.000 1.104 1177 E CA 0.267 56.572 56.400 -0.159 0.000 0.899 1177 E CB -0.063 29.567 29.700 -0.117 0.000 0.838 1177 E HN 0.442 nan 8.360 nan 0.000 0.564 1178 N N -1.489 117.032 118.700 -0.300 0.000 1.997 1178 N HA 0.032 4.866 4.740 0.156 0.000 0.225 1178 N C 0.403 175.775 175.510 -0.231 0.000 1.383 1178 N CA 0.180 53.011 53.050 -0.366 0.000 0.770 1178 N CB 0.960 38.959 38.487 -0.815 0.000 1.178 1178 N HN -0.035 nan 8.380 nan 0.000 0.515 1179 T N 0.693 115.155 114.554 -0.154 0.000 2.983 1179 T HA 0.217 4.661 4.350 0.156 0.000 0.250 1179 T C 2.047 176.712 174.700 -0.059 0.000 1.037 1179 T CA 0.278 62.325 62.100 -0.087 0.000 1.142 1179 T CB 0.526 69.353 68.868 -0.068 0.000 0.876 1179 T HN 0.050 nan 8.240 nan 0.000 0.455 1180 L N 0.809 121.995 121.223 -0.062 0.000 2.093 1180 L HA 0.042 4.476 4.340 0.156 0.000 0.208 1180 L C -1.270 175.583 176.870 -0.029 0.000 1.085 1180 L CA 0.648 55.462 54.840 -0.044 0.000 0.755 1180 L CB -1.242 40.790 42.059 -0.045 0.000 0.904 1180 L HN 0.095 nan 8.230 nan 0.000 0.435 1181 P HA -0.011 nan 4.420 nan 0.000 0.240 1181 P C -0.490 176.809 177.300 -0.003 0.000 1.594 1181 P CA 0.183 63.275 63.100 -0.014 0.000 1.184 1181 P CB -0.217 31.475 31.700 -0.013 0.000 1.915 1182 A N 2.149 124.967 122.820 -0.003 0.000 2.548 1182 A HA -0.053 4.361 4.320 0.156 0.000 0.247 1182 A C 1.532 179.133 177.584 0.029 0.000 1.067 1182 A CA 0.274 52.317 52.037 0.011 0.000 0.757 1182 A CB 0.239 19.244 19.000 0.009 0.000 0.996 1182 A HN 0.313 nan 8.150 nan 0.000 0.504 1183 Q N 1.608 121.441 119.800 0.056 0.000 2.259 1183 Q HA 0.168 4.602 4.340 0.156 0.000 0.201 1183 Q C 0.637 176.707 176.000 0.117 0.000 0.938 1183 Q CA 1.541 57.399 55.803 0.091 0.000 0.872 1183 Q CB 0.275 29.075 28.738 0.103 0.000 0.971 1183 Q HN 0.873 nan 8.270 nan 0.000 0.494 1184 S N -2.546 113.228 115.700 0.124 0.000 2.550 1184 S HA 0.349 4.913 4.470 0.156 0.000 0.270 1184 S C 0.263 174.961 174.600 0.164 0.000 1.145 1184 S CA -0.230 58.065 58.200 0.158 0.000 0.852 1184 S CB 1.141 64.474 63.200 0.221 0.000 1.119 1184 S HN 0.194 nan 8.310 nan 0.000 0.465 1185 T N 2.802 117.468 114.554 0.187 0.000 2.720 1185 T HA -0.051 4.393 4.350 0.156 0.000 0.268 1185 T C 1.437 176.261 174.700 0.207 0.000 1.037 1185 T CA 2.047 64.270 62.100 0.206 0.000 1.144 1185 T CB -0.555 68.474 68.868 0.269 0.000 0.864 1185 T HN 0.591 nan 8.240 nan 0.000 0.444 1186 F N 2.238 122.260 119.950 0.120 0.000 2.069 1186 F HA -0.205 4.416 4.527 0.156 0.000 0.298 1186 F C 2.450 178.286 175.800 0.061 0.000 1.113 1186 F CA 1.791 59.861 58.000 0.116 0.000 1.214 1186 F CB -1.066 38.030 39.000 0.159 0.000 0.978 1186 F HN 0.088 nan 8.300 nan 0.000 0.474 1187 T N 1.794 116.439 114.554 0.152 0.000 2.597 1187 T HA -0.287 4.157 4.350 0.156 0.000 0.267 1187 T C 1.850 176.482 174.700 -0.113 0.000 1.053 1187 T CA 1.803 63.920 62.100 0.027 0.000 1.165 1187 T CB -0.939 68.003 68.868 0.123 0.000 0.863 1187 T HN 0.211 nan 8.240 nan 0.000 0.427 1188 L N 1.452 122.651 121.223 -0.039 0.000 1.997 1188 L HA -0.136 4.298 4.340 0.156 0.000 0.216 1188 L C 2.748 179.542 176.870 -0.125 0.000 1.074 1188 L CA 2.136 56.945 54.840 -0.052 0.000 0.763 1188 L CB -1.326 40.738 42.059 0.008 0.000 0.890 1188 L HN 0.332 nan 8.230 nan 0.000 0.434 1189 A N -1.042 121.674 122.820 -0.173 0.000 1.972 1189 A HA -0.163 4.251 4.320 0.156 0.000 0.219 1189 A C 2.274 179.677 177.584 -0.303 0.000 1.169 1189 A CA 1.926 53.844 52.037 -0.198 0.000 0.635 1189 A CB -0.680 18.217 19.000 -0.172 0.000 0.810 1189 A HN 0.510 nan 8.150 nan 0.000 0.446 1190 I N -1.371 118.837 120.570 -0.603 0.000 2.333 1190 I HA -0.138 4.126 4.170 0.156 0.000 0.246 1190 I C 2.702 178.609 176.117 -0.350 0.000 1.106 1190 I CA 1.258 62.119 61.300 -0.732 0.000 1.411 1190 I CB -0.318 36.984 38.000 -1.163 0.000 1.082 1190 I HN 0.351 nan 8.210 nan 0.000 0.420 1191 S N 0.592 116.130 115.700 -0.270 0.000 2.419 1191 S HA -0.171 4.393 4.470 0.156 0.000 0.235 1191 S C 2.070 176.628 174.600 -0.070 0.000 1.019 1191 S CA 1.400 59.514 58.200 -0.143 0.000 0.982 1191 S CB -0.132 63.014 63.200 -0.092 0.000 0.789 1191 S HN 0.473 nan 8.310 nan 0.000 0.490 1192 A N 0.465 123.253 122.820 -0.054 0.000 1.825 1192 A HA -0.037 4.377 4.320 0.156 0.000 0.214 1192 A C 1.939 179.584 177.584 0.103 0.000 1.206 1192 A CA 1.565 53.627 52.037 0.042 0.000 0.609 1192 A CB -1.519 17.488 19.000 0.013 0.000 0.851 1192 A HN 0.674 nan 8.150 nan 0.000 0.445 1193 Y N 0.938 121.212 120.300 -0.043 0.000 2.298 1193 Y HA -0.169 4.475 4.550 0.156 0.000 0.287 1193 Y C 2.444 178.315 175.900 -0.048 0.000 1.164 1193 Y CA 1.170 59.261 58.100 -0.016 0.000 1.229 1193 Y CB -0.374 38.088 38.460 0.003 0.000 0.977 1193 Y HN 0.300 nan 8.280 nan 0.000 0.538 1194 A N -0.167 122.530 122.820 -0.206 0.000 1.898 1194 A HA -0.034 4.380 4.320 0.156 0.000 0.214 1194 A C 2.208 179.646 177.584 -0.244 0.000 1.183 1194 A CA 1.274 53.145 52.037 -0.276 0.000 0.622 1194 A CB -0.918 17.957 19.000 -0.209 0.000 0.824 1194 A HN 0.490 nan 8.150 nan 0.000 0.444 1195 L N -0.543 120.596 121.223 -0.140 0.000 2.079 1195 L HA -0.170 4.264 4.340 0.156 0.000 0.210 1195 L C 2.748 179.433 176.870 -0.308 0.000 1.081 1195 L CA 1.405 56.151 54.840 -0.156 0.000 0.752 1195 L CB -0.684 41.399 42.059 0.040 0.000 0.896 1195 L HN 0.431 nan 8.230 nan 0.000 0.433 1196 S N 0.291 115.858 115.700 -0.221 0.000 2.407 1196 S HA -0.157 4.407 4.470 0.156 0.000 0.235 1196 S C 1.521 175.905 174.600 -0.359 0.000 1.036 1196 S CA 1.203 59.238 58.200 -0.274 0.000 1.013 1196 S CB -0.283 62.830 63.200 -0.145 0.000 0.820 1196 S HN 0.372 nan 8.310 nan 0.000 0.476 1197 L N 0.672 121.651 121.223 -0.406 0.000 2.737 1197 L HA 0.393 4.827 4.340 0.156 0.000 0.236 1197 L C 0.997 177.702 176.870 -0.275 0.000 1.219 1197 L CA -0.209 54.427 54.840 -0.341 0.000 1.021 1197 L CB -0.050 41.784 42.059 -0.375 0.000 1.291 1197 L HN 0.359 nan 8.230 nan 0.000 0.470 1198 G N -1.328 107.298 108.800 -0.290 0.000 3.198 1198 G HA2 0.031 4.085 3.960 0.156 0.000 0.166 1198 G HA3 0.031 4.085 3.960 0.156 0.000 0.166 1198 G C -1.282 173.458 174.900 -0.267 0.000 1.134 1198 G CA -0.306 44.637 45.100 -0.261 0.000 0.941 1198 G HN 0.008 nan 8.290 nan 0.000 0.639 1199 D N 1.474 121.729 120.400 -0.242 0.000 2.398 1199 D HA 0.155 4.889 4.640 0.156 0.000 0.250 1199 D C 1.178 177.255 176.300 -0.372 0.000 1.287 1199 D CA -0.136 53.730 54.000 -0.223 0.000 0.992 1199 D CB 0.410 41.136 40.800 -0.122 0.000 1.071 1199 D HN 0.397 nan 8.370 nan 0.000 0.514 1200 K N 1.361 121.494 120.400 -0.445 0.000 2.522 1200 K HA 0.011 4.424 4.320 0.156 0.000 0.194 1200 K C 0.907 177.243 176.600 -0.440 0.000 1.026 1200 K CA 0.287 56.096 56.287 -0.798 0.000 1.119 1200 K CB -0.145 32.071 32.500 -0.472 0.000 0.856 1200 K HN 0.322 nan 8.250 nan 0.000 0.513 1201 T N -3.606 110.837 114.554 -0.184 0.000 3.043 1201 T HA 0.002 4.446 4.350 0.156 0.000 0.272 1201 T C 0.203 174.949 174.700 0.075 0.000 0.990 1201 T CA -0.454 61.649 62.100 0.004 0.000 0.897 1201 T CB -0.413 68.437 68.868 -0.029 0.000 1.111 1201 T HN 0.299 nan 8.240 nan 0.000 0.529 1202 H N 3.569 122.641 119.070 0.002 0.000 3.184 1202 H HA 0.132 4.781 4.556 0.156 0.000 0.274 1202 H C -1.486 173.906 175.328 0.107 0.000 0.962 1202 H CA -1.047 55.027 56.048 0.043 0.000 1.441 1202 H CB 0.697 30.479 29.762 0.033 0.000 1.518 1202 H HN -0.024 nan 8.280 nan 0.000 0.539 1203 P HA -0.362 nan 4.420 nan 0.000 0.221 1203 P C 1.523 178.967 177.300 0.240 0.000 1.160 1203 P CA 1.736 64.923 63.100 0.146 0.000 0.933 1203 P CB 0.209 31.949 31.700 0.066 0.000 0.793 1204 Q N -1.031 119.024 119.800 0.426 0.000 2.062 1204 Q HA -0.234 4.200 4.340 0.156 0.000 0.209 1204 Q C 1.961 178.036 176.000 0.124 0.000 0.996 1204 Q CA 1.925 57.848 55.803 0.199 0.000 0.859 1204 Q CB -1.608 27.147 28.738 0.029 0.000 0.920 1204 Q HN 0.219 nan 8.270 nan 0.000 0.415 1205 F N 0.934 120.897 119.950 0.022 0.000 2.111 1205 F HA -0.325 4.296 4.527 0.157 0.000 0.300 1205 F C 1.808 177.615 175.800 0.010 0.000 1.088 1205 F CA 2.140 60.137 58.000 -0.004 0.000 1.243 1205 F CB -0.222 38.786 39.000 0.012 0.000 0.996 1205 F HN 0.093 nan 8.300 nan 0.000 0.483 1206 R N -0.180 120.319 120.500 -0.001 0.000 2.091 1206 R HA -0.160 4.274 4.340 0.156 0.000 0.238 1206 R C 2.577 178.791 176.300 -0.143 0.000 1.136 1206 R CA 1.393 57.424 56.100 -0.115 0.000 0.959 1206 R CB -1.431 28.880 30.300 0.018 0.000 0.856 1206 R HN 0.369 nan 8.270 nan 0.000 0.437 1207 S N 0.764 116.420 115.700 -0.072 0.000 2.368 1207 S HA -0.013 4.551 4.470 0.156 0.000 0.224 1207 S C 2.064 176.606 174.600 -0.097 0.000 1.029 1207 S CA 0.696 58.858 58.200 -0.064 0.000 0.988 1207 S CB -0.055 63.129 63.200 -0.026 0.000 0.838 1207 S HN 0.218 nan 8.310 nan 0.000 0.462 1208 I N 0.945 121.440 120.570 -0.125 0.000 2.163 1208 I HA -0.099 4.165 4.170 0.156 0.000 0.240 1208 I C 2.187 178.200 176.117 -0.174 0.000 1.081 1208 I CA 0.986 62.209 61.300 -0.128 0.000 1.353 1208 I CB -1.057 36.880 38.000 -0.106 0.000 1.054 1208 I HN 0.118 nan 8.210 nan 0.000 0.407 1209 V N 1.656 121.357 119.914 -0.355 0.000 2.453 1209 V HA -0.310 3.904 4.120 0.156 0.000 0.252 1209 V C 2.882 178.881 176.094 -0.157 0.000 1.068 1209 V CA 2.352 64.441 62.300 -0.352 0.000 1.070 1209 V CB -0.996 30.416 31.823 -0.684 0.000 0.664 1209 V HN 0.669 nan 8.190 nan 0.000 0.461 1210 S N 0.952 116.563 115.700 -0.149 0.000 2.343 1210 S HA -0.189 4.375 4.470 0.156 0.000 0.219 1210 S C 2.162 176.738 174.600 -0.040 0.000 1.033 1210 S CA 1.654 59.802 58.200 -0.087 0.000 1.014 1210 S CB -0.589 62.562 63.200 -0.081 0.000 0.915 1210 S HN 0.605 nan 8.310 nan 0.000 0.435 1211 A N 2.627 125.424 122.820 -0.038 0.000 1.852 1211 A HA -0.073 4.341 4.320 0.156 0.000 0.217 1211 A C 2.348 179.959 177.584 0.044 0.000 1.215 1211 A CA 2.085 54.117 52.037 -0.008 0.000 0.641 1211 A CB -1.509 17.481 19.000 -0.017 0.000 0.838 1211 A HN 0.722 nan 8.150 nan 0.000 0.450 1212 L N -0.215 121.051 121.223 0.071 0.000 1.978 1212 L HA -0.243 4.191 4.340 0.156 0.000 0.218 1212 L C 2.275 179.332 176.870 0.311 0.000 1.075 1212 L CA 2.963 57.922 54.840 0.198 0.000 0.767 1212 L CB -0.895 41.253 42.059 0.148 0.000 0.890 1212 L HN 0.448 nan 8.230 nan 0.000 0.434 1213 K N -0.822 119.718 120.400 0.233 0.000 2.152 1213 K HA -0.240 4.174 4.320 0.156 0.000 0.206 1213 K C 2.305 178.953 176.600 0.080 0.000 1.048 1213 K CA 1.621 58.051 56.287 0.240 0.000 0.933 1213 K CB -0.223 32.319 32.500 0.070 0.000 0.721 1213 K HN 0.452 nan 8.250 nan 0.000 0.447 1214 R N 0.689 121.207 120.500 0.030 0.000 2.073 1214 R HA -0.141 4.293 4.340 0.156 0.000 0.234 1214 R C 1.520 177.792 176.300 -0.047 0.000 1.134 1214 R CA 1.770 57.856 56.100 -0.024 0.000 0.952 1214 R CB -0.121 30.166 30.300 -0.022 0.000 0.850 1214 R HN 0.139 nan 8.270 nan 0.000 0.433 1215 E N 0.756 120.958 120.200 0.002 0.000 2.347 1215 E HA -0.008 4.435 4.350 0.156 0.000 0.196 1215 E C 0.750 177.239 176.600 -0.184 0.000 1.008 1215 E CA 0.626 57.012 56.400 -0.024 0.000 0.852 1215 E CB -0.073 29.686 29.700 0.100 0.000 0.783 1215 E HN 0.480 nan 8.360 nan 0.000 0.505 1216 A N 0.840 123.385 122.820 -0.459 0.000 2.532 1216 A HA 0.218 4.632 4.320 0.156 0.000 0.248 1216 A C 0.389 177.632 177.584 -0.569 0.000 1.118 1216 A CA 0.474 51.944 52.037 -0.946 0.000 0.805 1216 A CB 0.148 18.383 19.000 -1.275 0.000 1.068 1216 A HN 0.147 nan 8.150 nan 0.000 0.518 1217 L N -2.313 118.504 121.223 -0.676 0.000 2.656 1217 L HA 0.831 5.265 4.340 0.156 0.000 0.252 1217 L C -0.657 175.785 176.870 -0.713 0.000 1.129 1217 L CA -0.920 53.596 54.840 -0.540 0.000 0.962 1217 L CB 1.564 43.357 42.059 -0.443 0.000 1.565 1217 L HN 1.017 nan 8.230 nan 0.000 0.389 1218 V N -2.785 116.776 119.914 -0.588 0.000 3.298 1218 V HA 0.491 4.705 4.120 0.156 0.000 0.276 1218 V C -1.686 174.256 176.094 -0.253 0.000 1.699 1218 V CA -1.090 60.916 62.300 -0.491 0.000 1.039 1218 V CB 1.795 33.417 31.823 -0.335 0.000 1.243 1218 V HN 0.690 nan 8.190 nan 0.000 0.472 1219 K N 1.073 121.413 120.400 -0.099 0.000 2.502 1219 K HA 0.699 5.112 4.320 0.156 0.000 0.254 1219 K C 0.039 176.697 176.600 0.098 0.000 0.947 1219 K CA 0.124 56.460 56.287 0.082 0.000 0.834 1219 K CB 1.487 34.182 32.500 0.325 0.000 1.112 1219 K HN 2.002 nan 8.250 nan 0.000 0.427 1220 G N 2.615 111.447 108.800 0.054 0.000 2.854 1220 G HA2 -0.258 3.796 3.960 0.156 0.000 0.686 1220 G HA3 -0.258 3.796 3.960 0.156 0.000 0.686 1220 G C -0.981 173.911 174.900 -0.013 0.000 1.202 1220 G CA -0.750 44.368 45.100 0.030 0.000 0.878 1220 G HN 0.690 nan 8.290 nan 0.000 0.583 1221 N N 1.920 120.610 118.700 -0.017 0.000 2.405 1221 N HA 0.630 5.464 4.740 0.156 0.000 0.299 1221 N C -1.481 174.013 175.510 -0.026 0.000 1.075 1221 N CA -1.326 51.706 53.050 -0.029 0.000 0.884 1221 N CB 1.245 39.715 38.487 -0.028 0.000 1.194 1221 N HN 0.416 nan 8.380 nan 0.000 0.491 1222 P HA 0.231 nan 4.420 nan 0.000 0.272 1222 P C -2.644 174.627 177.300 -0.050 0.000 1.248 1222 P CA -0.693 62.384 63.100 -0.038 0.000 0.799 1222 P CB -0.550 31.129 31.700 -0.035 0.000 0.997 1223 P HA -0.048 nan 4.420 nan 0.000 0.257 1223 P C 0.309 177.551 177.300 -0.096 0.000 1.162 1223 P CA 1.036 64.090 63.100 -0.077 0.000 0.762 1223 P CB -0.073 31.585 31.700 -0.070 0.000 0.753 1224 I N 1.561 122.049 120.570 -0.137 0.000 3.616 1224 I HA 0.062 4.326 4.170 0.156 0.000 0.296 1224 I C 0.108 175.939 176.117 -0.476 0.000 1.226 1224 I CA 0.521 61.637 61.300 -0.306 0.000 1.394 1224 I CB 0.053 37.817 38.000 -0.394 0.000 1.171 1224 I HN 0.201 nan 8.210 nan 0.000 0.442 1225 Y N 1.344 121.644 120.300 0.001 0.000 2.361 1225 Y HA 0.577 5.220 4.550 0.156 0.000 0.337 1225 Y C -0.064 175.697 175.900 -0.232 0.000 0.965 1225 Y CA -0.793 57.304 58.100 -0.006 0.000 1.091 1225 Y CB 1.428 39.969 38.460 0.136 0.000 1.182 1225 Y HN -0.095 nan 8.280 nan 0.000 0.450 1226 R N 4.140 124.556 120.500 -0.139 0.000 2.562 1226 R HA 0.789 5.223 4.340 0.156 0.000 0.298 1226 R C -1.771 174.241 176.300 -0.482 0.000 0.961 1226 R CA -0.621 55.209 56.100 -0.449 0.000 0.881 1226 R CB 1.138 31.172 30.300 -0.444 0.000 1.159 1226 R HN 0.666 nan 8.270 nan 0.000 0.450 1227 F N 0.096 119.647 119.950 -0.665 0.000 2.770 1227 F HA 0.546 5.167 4.527 0.156 0.000 0.313 1227 F C -1.845 173.863 175.800 -0.153 0.000 1.154 1227 F CA -1.670 56.080 58.000 -0.417 0.000 0.923 1227 F CB 0.818 38.964 39.000 -1.424 0.000 1.301 1227 F HN 0.358 nan 8.300 nan 0.000 0.449 1228 W N 0.990 122.350 121.300 0.100 0.000 2.578 1228 W HA 0.675 5.430 4.660 0.157 0.000 0.364 1228 W C -0.440 176.238 176.519 0.265 0.000 1.144 1228 W CA -1.001 56.415 57.345 0.118 0.000 1.242 1228 W CB 2.118 31.637 29.460 0.099 0.000 1.382 1228 W HN 0.462 nan 8.180 nan 0.000 0.625 1229 K N 0.317 120.974 120.400 0.429 0.000 2.258 1229 K HA 0.054 4.468 4.320 0.156 0.000 0.236 1229 K C 0.777 177.551 176.600 0.290 0.000 1.008 1229 K CA -0.549 55.940 56.287 0.336 0.000 0.869 1229 K CB 1.485 34.131 32.500 0.244 0.000 1.171 1229 K HN 0.256 nan 8.250 nan 0.000 0.447 1230 D N 0.939 121.476 120.400 0.228 0.000 2.104 1230 D HA -0.184 4.550 4.640 0.156 0.000 0.194 1230 D C 0.590 177.006 176.300 0.194 0.000 0.994 1230 D CA 1.318 55.433 54.000 0.193 0.000 0.830 1230 D CB -0.123 40.736 40.800 0.098 0.000 0.959 1230 D HN 0.639 nan 8.370 nan 0.000 0.452 1231 N N 0.581 119.382 118.700 0.169 0.000 2.247 1231 N HA -0.056 4.778 4.740 0.156 0.000 0.252 1231 N C 0.086 175.681 175.510 0.143 0.000 1.259 1231 N CA 0.128 53.279 53.050 0.168 0.000 0.877 1231 N CB 0.161 38.745 38.487 0.161 0.000 0.959 1231 N HN 0.291 nan 8.380 nan 0.000 0.432 1232 L N -0.754 120.502 121.223 0.056 0.000 2.635 1232 L HA 0.090 4.524 4.340 0.156 0.000 0.251 1232 L C 0.067 176.779 176.870 -0.264 0.000 1.056 1232 L CA -0.093 54.717 54.840 -0.049 0.000 0.936 1232 L CB -0.012 42.030 42.059 -0.029 0.000 1.162 1232 L HN 0.887 nan 8.230 nan 0.000 0.481 1233 Q N 1.261 120.975 119.800 -0.142 0.000 2.332 1233 Q HA -0.317 4.117 4.340 0.156 0.000 0.222 1233 Q C -0.552 175.350 176.000 -0.162 0.000 0.758 1233 Q CA 2.096 57.809 55.803 -0.150 0.000 1.355 1233 Q CB -1.827 26.822 28.738 -0.149 0.000 1.705 1233 Q HN 0.833 nan 8.270 nan 0.000 0.638 1234 H N 1.176 120.266 119.070 0.033 0.000 2.548 1234 H HA 0.132 4.782 4.556 0.156 0.000 0.268 1234 H C 0.496 175.837 175.328 0.022 0.000 0.975 1234 H CA 0.989 57.053 56.048 0.026 0.000 1.195 1234 H CB 0.384 30.164 29.762 0.030 0.000 1.397 1234 H HN 0.270 nan 8.280 nan 0.000 0.572 1235 K N 1.663 122.125 120.400 0.103 0.000 3.177 1235 K HA -0.203 4.211 4.320 0.156 0.000 0.266 1235 K C 0.603 177.241 176.600 0.063 0.000 0.937 1235 K CA 0.633 56.957 56.287 0.061 0.000 0.702 1235 K CB -0.978 31.538 32.500 0.026 0.000 1.365 1235 K HN 0.425 nan 8.250 nan 0.000 0.466 1236 D N 0.447 120.892 120.400 0.076 0.000 2.309 1236 D HA -0.082 4.652 4.640 0.156 0.000 0.212 1236 D C 0.827 177.154 176.300 0.044 0.000 0.968 1236 D CA 1.337 55.369 54.000 0.053 0.000 0.882 1236 D CB 0.119 40.949 40.800 0.049 0.000 0.918 1236 D HN 0.420 nan 8.370 nan 0.000 0.503 1237 S N -1.207 114.524 115.700 0.052 0.000 3.146 1237 S HA -0.255 4.309 4.470 0.156 0.000 0.285 1237 S C 0.220 174.853 174.600 0.056 0.000 1.293 1237 S CA 1.031 59.260 58.200 0.048 0.000 1.137 1237 S CB -2.129 61.089 63.200 0.029 0.000 1.357 1237 S HN 0.498 nan 8.310 nan 0.000 0.678 1238 S N 1.441 117.173 115.700 0.053 0.000 3.355 1238 S HA 0.369 4.933 4.470 0.156 0.000 0.293 1238 S C 0.483 175.122 174.600 0.066 0.000 1.197 1238 S CA 0.055 58.284 58.200 0.047 0.000 1.117 1238 S CB 0.373 63.592 63.200 0.031 0.000 1.587 1238 S HN 1.380 nan 8.310 nan 0.000 0.536 1239 V N -0.227 119.737 119.914 0.085 0.000 2.966 1239 V HA 0.392 4.605 4.120 0.156 0.000 0.378 1239 V C -2.229 173.907 176.094 0.070 0.000 1.279 1239 V CA -2.053 60.316 62.300 0.115 0.000 1.439 1239 V CB -0.564 31.385 31.823 0.209 0.000 1.451 1239 V HN 0.569 nan 8.190 nan 0.000 0.570 1240 P HA 0.031 nan 4.420 nan 0.000 0.213 1240 P C -0.009 177.276 177.300 -0.026 0.000 1.492 1240 P CA 0.454 63.556 63.100 0.003 0.000 1.034 1240 P CB -0.786 30.908 31.700 -0.010 0.000 1.816 1241 N N -0.767 117.924 118.700 -0.014 0.000 2.693 1241 N HA -0.150 4.684 4.740 0.156 0.000 0.249 1241 N C -0.334 175.114 175.510 -0.103 0.000 1.119 1241 N CA 1.791 54.803 53.050 -0.063 0.000 0.717 1241 N CB -2.136 36.278 38.487 -0.121 0.000 1.071 1241 N HN 0.552 nan 8.380 nan 0.000 0.555 1242 T N -4.168 110.360 114.554 -0.043 0.000 3.105 1242 T HA 0.628 5.072 4.350 0.156 0.000 0.321 1242 T C 0.528 175.235 174.700 0.010 0.000 1.135 1242 T CA -0.329 61.750 62.100 -0.035 0.000 1.053 1242 T CB 1.968 70.802 68.868 -0.056 0.000 1.133 1242 T HN 0.217 nan 8.240 nan 0.000 0.463 1243 G N 1.255 110.112 108.800 0.095 0.000 2.653 1243 G HA2 0.568 4.621 3.960 0.156 0.000 0.265 1243 G HA3 0.568 4.621 3.960 0.156 0.000 0.265 1243 G C -0.644 174.157 174.900 -0.166 0.000 1.237 1243 G CA -0.412 44.813 45.100 0.208 0.000 0.946 1243 G HN 0.949 nan 8.290 nan 0.000 0.522 1244 T N -1.302 113.167 114.554 -0.142 0.000 2.894 1244 T HA 0.491 4.935 4.350 0.156 0.000 0.309 1244 T C 1.132 175.767 174.700 -0.108 0.000 1.208 1244 T CA 0.290 62.185 62.100 -0.342 0.000 1.016 1244 T CB 1.766 70.586 68.868 -0.079 0.000 1.192 1244 T HN 0.737 nan 8.240 nan 0.000 0.491 1245 A N 1.384 124.093 122.820 -0.185 0.000 1.902 1245 A HA -0.072 4.342 4.320 0.156 0.000 0.217 1245 A C 2.105 179.753 177.584 0.108 0.000 1.181 1245 A CA 1.703 53.772 52.037 0.053 0.000 0.623 1245 A CB -0.425 18.545 19.000 -0.050 0.000 0.818 1245 A HN 0.755 nan 8.150 nan 0.000 0.443 1246 R N -1.474 119.049 120.500 0.038 0.000 2.093 1246 R HA 0.042 4.476 4.340 0.156 0.000 0.224 1246 R C 2.196 178.611 176.300 0.193 0.000 1.101 1246 R CA 1.164 57.299 56.100 0.058 0.000 0.979 1246 R CB -0.277 29.946 30.300 -0.127 0.000 0.877 1246 R HN 0.577 nan 8.270 nan 0.000 0.441 1247 M N 0.136 119.843 119.600 0.179 0.000 2.443 1247 M HA -0.234 4.340 4.480 0.156 0.000 0.267 1247 M C 1.984 178.493 176.300 0.348 0.000 1.069 1247 M CA 2.048 57.512 55.300 0.273 0.000 1.085 1247 M CB -0.226 32.520 32.600 0.244 0.000 1.243 1247 M HN 0.031 nan 8.290 nan 0.000 0.464 1248 V N 0.409 120.520 119.914 0.328 0.000 2.527 1248 V HA -0.317 3.897 4.120 0.156 0.000 0.255 1248 V C 2.174 178.377 176.094 0.181 0.000 1.081 1248 V CA 2.349 64.807 62.300 0.263 0.000 1.092 1248 V CB -1.123 30.737 31.823 0.061 0.000 0.673 1248 V HN 0.614 nan 8.190 nan 0.000 0.470 1249 E N 0.525 120.848 120.200 0.204 0.000 2.031 1249 E HA -0.242 4.202 4.350 0.156 0.000 0.193 1249 E C 2.370 179.093 176.600 0.204 0.000 0.994 1249 E CA 2.065 58.567 56.400 0.169 0.000 0.800 1249 E CB -0.231 29.692 29.700 0.370 0.000 0.752 1249 E HN 0.810 nan 8.360 nan 0.000 0.447 1250 T N -1.209 113.590 114.554 0.408 0.000 2.595 1250 T HA -0.274 4.170 4.350 0.156 0.000 0.264 1250 T C 2.233 176.968 174.700 0.059 0.000 1.058 1250 T CA 2.667 64.986 62.100 0.366 0.000 1.166 1250 T CB -1.623 67.485 68.868 0.400 0.000 0.863 1250 T HN 0.354 nan 8.240 nan 0.000 0.415 1251 T N 0.931 115.534 114.554 0.080 0.000 2.822 1251 T HA -0.002 4.441 4.350 0.156 0.000 0.270 1251 T C 2.197 176.789 174.700 -0.180 0.000 1.064 1251 T CA 1.679 63.713 62.100 -0.110 0.000 1.131 1251 T CB -0.963 68.112 68.868 0.345 0.000 0.858 1251 T HN 0.642 nan 8.240 nan 0.000 0.483 1252 A N 0.552 123.302 122.820 -0.116 0.000 1.858 1252 A HA 0.011 4.425 4.320 0.156 0.000 0.216 1252 A C 2.140 179.501 177.584 -0.373 0.000 1.190 1252 A CA 1.562 53.443 52.037 -0.259 0.000 0.617 1252 A CB -1.316 17.457 19.000 -0.379 0.000 0.827 1252 A HN 0.606 nan 8.150 nan 0.000 0.443 1253 Y N -0.145 119.979 120.300 -0.294 0.000 2.333 1253 Y HA -0.063 4.581 4.550 0.156 0.000 0.290 1253 Y C 2.746 178.449 175.900 -0.329 0.000 1.144 1253 Y CA 0.671 58.556 58.100 -0.359 0.000 1.228 1253 Y CB -0.442 37.831 38.460 -0.312 0.000 0.985 1253 Y HN 0.355 nan 8.280 nan 0.000 0.542 1254 A N -0.930 121.673 122.820 -0.362 0.000 1.911 1254 A HA -0.007 4.406 4.320 0.156 0.000 0.212 1254 A C 2.039 179.452 177.584 -0.286 0.000 1.189 1254 A CA 0.755 52.505 52.037 -0.479 0.000 0.639 1254 A CB -0.853 17.341 19.000 -1.343 0.000 0.839 1254 A HN 0.337 nan 8.150 nan 0.000 0.449 1255 L N 0.153 121.179 121.223 -0.328 0.000 2.079 1255 L HA -0.091 4.343 4.340 0.156 0.000 0.210 1255 L C 2.076 178.934 176.870 -0.020 0.000 1.081 1255 L CA 1.629 56.405 54.840 -0.107 0.000 0.752 1255 L CB -0.636 41.379 42.059 -0.072 0.000 0.896 1255 L HN 0.384 nan 8.230 nan 0.000 0.433 1256 L N -1.119 120.049 121.223 -0.092 0.000 2.027 1256 L HA -0.187 4.247 4.340 0.156 0.000 0.206 1256 L C 2.375 179.407 176.870 0.271 0.000 1.074 1256 L CA 1.704 56.536 54.840 -0.013 0.000 0.745 1256 L CB -1.155 40.596 42.059 -0.514 0.000 0.898 1256 L HN 0.349 nan 8.230 nan 0.000 0.433 1257 T N -1.377 113.358 114.554 0.301 0.000 2.595 1257 T HA -0.217 4.227 4.350 0.156 0.000 0.264 1257 T C 2.053 176.899 174.700 0.244 0.000 1.058 1257 T CA 1.674 63.967 62.100 0.322 0.000 1.166 1257 T CB -0.623 68.390 68.868 0.241 0.000 0.863 1257 T HN 0.214 nan 8.240 nan 0.000 0.415 1258 S N 1.882 117.711 115.700 0.214 0.000 2.378 1258 S HA -0.114 4.450 4.470 0.156 0.000 0.229 1258 S C 2.011 176.734 174.600 0.205 0.000 1.052 1258 S CA 1.345 59.689 58.200 0.240 0.000 1.084 1258 S CB -0.774 62.599 63.200 0.288 0.000 0.950 1258 S HN 0.357 nan 8.310 nan 0.000 0.440 1259 L N 1.415 122.751 121.223 0.188 0.000 2.362 1259 L HA -0.083 4.351 4.340 0.156 0.000 0.219 1259 L C 2.317 179.270 176.870 0.139 0.000 1.134 1259 L CA 0.521 55.463 54.840 0.170 0.000 0.807 1259 L CB -0.490 41.675 42.059 0.176 0.000 0.927 1259 L HN 0.313 nan 8.230 nan 0.000 0.447 1260 N N 0.428 119.220 118.700 0.153 0.000 2.080 1260 N HA -0.103 4.731 4.740 0.156 0.000 0.189 1260 N C 1.684 177.250 175.510 0.093 0.000 1.036 1260 N CA 1.280 54.393 53.050 0.106 0.000 0.846 1260 N CB -0.058 38.485 38.487 0.093 0.000 1.015 1260 N HN 0.304 nan 8.380 nan 0.000 0.423 1261 L N 1.124 122.429 121.223 0.136 0.000 2.599 1261 L HA 0.106 4.540 4.340 0.156 0.000 0.230 1261 L C 0.295 177.226 176.870 0.103 0.000 1.141 1261 L CA 0.236 55.153 54.840 0.130 0.000 0.877 1261 L CB -0.148 42.025 42.059 0.190 0.000 1.009 1261 L HN 0.116 nan 8.230 nan 0.000 0.447 1262 K N -0.663 119.797 120.400 0.101 0.000 3.160 1262 K HA -0.235 4.179 4.320 0.156 0.000 0.280 1262 K C 0.200 176.852 176.600 0.088 0.000 1.154 1262 K CA 0.713 57.047 56.287 0.077 0.000 0.822 1262 K CB -1.643 30.882 32.500 0.042 0.000 1.239 1262 K HN 0.292 nan 8.250 nan 0.000 0.489 1263 D N 1.413 121.890 120.400 0.130 0.000 2.488 1263 D HA 0.006 4.740 4.640 0.156 0.000 0.260 1263 D C 1.459 177.858 176.300 0.166 0.000 1.273 1263 D CA 0.167 54.256 54.000 0.149 0.000 0.912 1263 D CB -0.376 40.557 40.800 0.222 0.000 0.982 1263 D HN 0.397 nan 8.370 nan 0.000 0.492 1264 I N 0.151 120.794 120.570 0.121 0.000 2.367 1264 I HA -0.392 3.871 4.170 0.156 0.000 0.260 1264 I C 1.807 178.004 176.117 0.133 0.000 1.078 1264 I CA 1.025 62.394 61.300 0.115 0.000 1.388 1264 I CB -0.279 37.746 38.000 0.041 0.000 1.067 1264 I HN 0.103 nan 8.210 nan 0.000 0.450 1265 N N -1.384 117.395 118.700 0.130 0.000 2.294 1265 N HA -0.043 4.791 4.740 0.156 0.000 0.186 1265 N C 1.519 177.140 175.510 0.185 0.000 1.107 1265 N CA 0.213 53.330 53.050 0.112 0.000 0.884 1265 N CB 0.143 38.665 38.487 0.058 0.000 1.030 1265 N HN 0.296 nan 8.380 nan 0.000 0.482 1266 Y N 1.353 121.688 120.300 0.060 0.000 2.242 1266 Y HA 0.015 4.659 4.550 0.156 0.000 0.291 1266 Y C 2.020 177.984 175.900 0.108 0.000 1.137 1266 Y CA 0.824 58.964 58.100 0.067 0.000 1.181 1266 Y CB -0.329 38.185 38.460 0.090 0.000 0.989 1266 Y HN -0.213 nan 8.280 nan 0.000 0.527 1267 V N 0.755 120.779 119.914 0.184 0.000 2.591 1267 V HA -0.230 3.984 4.120 0.156 0.000 0.249 1267 V C 1.908 178.060 176.094 0.097 0.000 1.053 1267 V CA 1.580 63.950 62.300 0.118 0.000 1.068 1267 V CB -0.553 31.412 31.823 0.238 0.000 0.689 1267 V HN 0.411 nan 8.190 nan 0.000 0.462 1268 N N 0.648 119.437 118.700 0.150 0.000 2.247 1268 N HA -0.145 4.689 4.740 0.156 0.000 0.189 1268 N C -0.885 174.731 175.510 0.176 0.000 1.009 1268 N CA 1.744 54.894 53.050 0.167 0.000 0.872 1268 N CB -1.327 37.182 38.487 0.036 0.000 0.980 1268 N HN 0.469 nan 8.380 nan 0.000 0.436 1269 P HA 0.108 nan 4.420 nan 0.000 0.226 1269 P C 1.797 179.179 177.300 0.136 0.000 1.160 1269 P CA 0.130 63.264 63.100 0.057 0.000 0.837 1269 P CB 0.348 32.026 31.700 -0.037 0.000 0.860 1270 V N 1.237 121.201 119.914 0.084 0.000 2.255 1270 V HA -0.244 3.970 4.120 0.156 0.000 0.247 1270 V C 2.395 178.648 176.094 0.266 0.000 1.051 1270 V CA 2.398 64.806 62.300 0.180 0.000 1.018 1270 V CB -1.226 30.685 31.823 0.147 0.000 0.641 1270 V HN 0.075 nan 8.190 nan 0.000 0.445 1271 I N -0.442 120.166 120.570 0.063 0.000 2.546 1271 I HA -0.091 4.173 4.170 0.156 0.000 0.255 1271 I C 2.246 178.392 176.117 0.047 0.000 1.163 1271 I CA 1.905 63.182 61.300 -0.038 0.000 1.457 1271 I CB -0.748 36.988 38.000 -0.440 0.000 1.092 1271 I HN 0.199 nan 8.210 nan 0.000 0.434 1272 K N 0.685 121.159 120.400 0.124 0.000 2.218 1272 K HA -0.265 4.149 4.320 0.156 0.000 0.205 1272 K C 1.825 178.634 176.600 0.349 0.000 1.046 1272 K CA 2.129 58.498 56.287 0.136 0.000 0.933 1272 K CB -0.647 31.935 32.500 0.136 0.000 0.728 1272 K HN 0.737 nan 8.250 nan 0.000 0.454 1273 W N -0.269 121.160 121.300 0.214 0.000 2.808 1273 W HA 0.188 4.941 4.660 0.156 0.000 0.266 1273 W C 1.004 177.553 176.519 0.049 0.000 1.247 1273 W CA -0.310 57.153 57.345 0.198 0.000 1.440 1273 W CB 0.268 29.933 29.460 0.341 0.000 1.040 1273 W HN -0.081 nan 8.180 nan 0.000 0.606 1274 L N 0.687 122.035 121.223 0.209 0.000 1.932 1274 L HA -0.255 4.179 4.340 0.156 0.000 0.217 1274 L C 2.365 179.138 176.870 -0.162 0.000 1.077 1274 L CA 2.152 56.918 54.840 -0.122 0.000 0.765 1274 L CB -1.576 40.492 42.059 0.015 0.000 0.888 1274 L HN -0.042 nan 8.230 nan 0.000 0.433 1275 S N -0.688 114.970 115.700 -0.070 0.000 2.751 1275 S HA -0.150 4.413 4.470 0.156 0.000 0.248 1275 S C 1.064 175.611 174.600 -0.089 0.000 0.979 1275 S CA 1.026 59.187 58.200 -0.066 0.000 0.987 1275 S CB -0.480 62.664 63.200 -0.093 0.000 0.777 1275 S HN 0.433 nan 8.310 nan 0.000 0.544 1276 E N -1.417 118.703 120.200 -0.133 0.000 2.679 1276 E HA 0.090 4.534 4.350 0.156 0.000 0.221 1276 E C 1.207 177.678 176.600 -0.215 0.000 0.928 1276 E CA -0.098 56.208 56.400 -0.156 0.000 1.296 1276 E CB 0.137 29.778 29.700 -0.099 0.000 1.235 1276 E HN 0.248 nan 8.360 nan 0.000 0.622 1277 E N 1.102 121.077 120.200 -0.375 0.000 2.014 1277 E HA -0.030 4.414 4.350 0.156 0.000 0.190 1277 E C 0.277 176.701 176.600 -0.294 0.000 0.980 1277 E CA 0.804 56.919 56.400 -0.475 0.000 0.807 1277 E CB 0.130 29.360 29.700 -0.783 0.000 0.770 1277 E HN -0.047 nan 8.360 nan 0.000 0.451 1278 Q N 1.477 121.149 119.800 -0.212 0.000 2.658 1278 Q HA -0.133 4.301 4.340 0.156 0.000 0.367 1278 Q C -0.321 175.593 176.000 -0.144 0.000 1.107 1278 Q CA 1.027 56.745 55.803 -0.142 0.000 1.128 1278 Q CB 0.008 28.709 28.738 -0.063 0.000 1.099 1278 Q HN 0.191 nan 8.270 nan 0.000 0.418 1279 R N 2.410 122.789 120.500 -0.202 0.000 2.312 1279 R HA 0.174 4.607 4.340 0.156 0.000 0.311 1279 R C -0.165 175.956 176.300 -0.298 0.000 1.004 1279 R CA -0.765 55.191 56.100 -0.239 0.000 0.902 1279 R CB 0.849 31.003 30.300 -0.245 0.000 1.073 1279 R HN 0.641 nan 8.270 nan 0.000 0.457 1280 Y N 2.312 122.286 120.300 -0.543 0.000 3.079 1280 Y HA -0.327 4.317 4.550 0.156 0.000 0.368 1280 Y C 1.192 176.943 175.900 -0.248 0.000 1.224 1280 Y CA 1.373 59.203 58.100 -0.449 0.000 1.599 1280 Y CB 0.182 38.517 38.460 -0.208 0.000 1.098 1280 Y HN 0.998 nan 8.280 nan 0.000 0.588 1281 G N 3.145 111.853 108.800 -0.153 0.000 4.677 1281 G HA2 -0.148 3.906 3.960 0.156 0.000 0.215 1281 G HA3 -0.148 3.906 3.960 0.156 0.000 0.215 1281 G C 0.185 175.001 174.900 -0.140 0.000 1.506 1281 G CA -0.143 44.795 45.100 -0.269 0.000 1.016 1281 G HN 1.673 nan 8.290 nan 0.000 0.653 1282 G N -1.185 107.538 108.800 -0.128 0.000 2.721 1282 G HA2 0.638 4.692 3.960 0.156 0.000 0.296 1282 G HA3 0.638 4.692 3.960 0.156 0.000 0.296 1282 G C 0.446 175.312 174.900 -0.057 0.000 1.383 1282 G CA 0.525 45.583 45.100 -0.070 0.000 0.788 1282 G HN 1.571 nan 8.290 nan 0.000 0.500 1283 G N -0.189 108.588 108.800 -0.039 0.000 3.356 1283 G HA2 0.298 4.352 3.960 0.156 0.000 0.239 1283 G HA3 0.298 4.352 3.960 0.156 0.000 0.239 1283 G C 0.970 175.833 174.900 -0.061 0.000 1.252 1283 G CA 0.484 45.547 45.100 -0.062 0.000 1.611 1283 G HN 0.576 nan 8.290 nan 0.000 0.580 1284 F N 1.002 120.823 119.950 -0.215 0.000 2.623 1284 F HA -0.336 4.285 4.527 0.156 0.000 0.256 1284 F C 1.058 176.834 175.800 -0.039 0.000 1.270 1284 F CA 1.191 59.094 58.000 -0.161 0.000 1.671 1284 F CB -1.121 37.731 39.000 -0.246 0.000 0.693 1284 F HN 0.368 nan 8.300 nan 0.000 0.469 1285 Y N 1.926 122.174 120.300 -0.087 0.000 2.865 1285 Y HA 0.250 4.893 4.550 0.156 0.000 0.338 1285 Y C 1.062 176.823 175.900 -0.232 0.000 1.269 1285 Y CA 0.284 58.240 58.100 -0.240 0.000 1.585 1285 Y CB -0.963 37.450 38.460 -0.079 0.000 1.224 1285 Y HN 0.548 nan 8.280 nan 0.000 0.554 1286 S N 1.529 117.120 115.700 -0.181 0.000 2.665 1286 S HA -0.321 4.243 4.470 0.156 0.000 0.631 1286 S C 1.426 175.963 174.600 -0.104 0.000 3.286 1286 S CA 2.117 60.190 58.200 -0.213 0.000 3.611 1286 S CB -0.897 62.203 63.200 -0.166 0.000 0.330 1286 S HN 1.027 nan 8.310 nan 0.000 1.726 1287 T N -1.924 112.607 114.554 -0.038 0.000 3.348 1287 T HA 0.219 4.662 4.350 0.156 0.000 0.233 1287 T C 1.759 176.560 174.700 0.168 0.000 0.960 1287 T CA 0.677 62.820 62.100 0.071 0.000 1.343 1287 T CB -0.844 68.099 68.868 0.126 0.000 1.068 1287 T HN 0.564 nan 8.240 nan 0.000 0.410 1288 Q N 2.002 121.950 119.800 0.247 0.000 2.173 1288 Q HA -0.191 4.242 4.340 0.156 0.000 0.208 1288 Q C 2.189 178.307 176.000 0.196 0.000 0.989 1288 Q CA 2.188 58.187 55.803 0.327 0.000 0.872 1288 Q CB -0.601 28.367 28.738 0.383 0.000 0.909 1288 Q HN 0.867 nan 8.270 nan 0.000 0.420 1289 D N -1.006 119.474 120.400 0.133 0.000 2.077 1289 D HA -0.116 4.618 4.640 0.156 0.000 0.196 1289 D C 1.207 177.507 176.300 0.002 0.000 0.986 1289 D CA 1.427 55.447 54.000 0.033 0.000 0.829 1289 D CB -0.629 40.217 40.800 0.078 0.000 0.983 1289 D HN 0.067 nan 8.370 nan 0.000 0.453 1290 T N 0.893 115.471 114.554 0.039 0.000 3.155 1290 T HA 0.021 4.465 4.350 0.156 0.000 0.264 1290 T C 1.741 176.495 174.700 0.089 0.000 1.160 1290 T CA 0.253 62.373 62.100 0.033 0.000 1.075 1290 T CB -0.203 68.674 68.868 0.015 0.000 0.921 1290 T HN 0.342 nan 8.240 nan 0.000 0.533 1291 I N -0.083 120.561 120.570 0.124 0.000 2.947 1291 I HA 0.033 4.297 4.170 0.156 0.000 0.263 1291 I C 1.819 178.043 176.117 0.179 0.000 1.130 1291 I CA 0.460 61.882 61.300 0.203 0.000 1.448 1291 I CB 0.210 38.352 38.000 0.236 0.000 1.222 1291 I HN -0.042 nan 8.210 nan 0.000 0.453 1292 N N 2.316 121.007 118.700 -0.015 0.000 2.043 1292 N HA -0.188 4.645 4.740 0.156 0.000 0.193 1292 N C 1.998 177.405 175.510 -0.172 0.000 1.037 1292 N CA 1.923 54.843 53.050 -0.218 0.000 0.851 1292 N CB -0.767 37.379 38.487 -0.569 0.000 1.027 1292 N HN 0.523 nan 8.380 nan 0.000 0.422 1293 A N 1.766 124.509 122.820 -0.127 0.000 1.917 1293 A HA -0.140 4.274 4.320 0.156 0.000 0.219 1293 A C 2.159 179.719 177.584 -0.040 0.000 1.182 1293 A CA 1.196 53.179 52.037 -0.089 0.000 0.633 1293 A CB -0.491 18.468 19.000 -0.069 0.000 0.819 1293 A HN 0.180 nan 8.150 nan 0.000 0.448 1294 I N -0.469 120.127 120.570 0.044 0.000 2.500 1294 I HA -0.146 4.118 4.170 0.156 0.000 0.252 1294 I C 2.360 178.429 176.117 -0.080 0.000 1.142 1294 I CA 1.601 62.965 61.300 0.107 0.000 1.451 1294 I CB -1.321 36.870 38.000 0.318 0.000 1.093 1294 I HN 0.636 nan 8.210 nan 0.000 0.430 1295 E N 1.397 121.481 120.200 -0.193 0.000 2.051 1295 E HA -0.155 4.289 4.350 0.156 0.000 0.192 1295 E C 2.183 178.591 176.600 -0.320 0.000 0.991 1295 E CA 1.478 57.510 56.400 -0.614 0.000 0.799 1295 E CB -0.290 29.223 29.700 -0.311 0.000 0.748 1295 E HN 0.383 nan 8.360 nan 0.000 0.449 1296 G N 1.521 110.212 108.800 -0.182 0.000 2.941 1296 G HA2 -0.329 3.725 3.960 0.156 0.000 0.206 1296 G HA3 -0.329 3.725 3.960 0.156 0.000 0.206 1296 G C 1.350 176.239 174.900 -0.019 0.000 1.403 1296 G CA 1.212 46.263 45.100 -0.082 0.000 0.805 1296 G HN 0.314 nan 8.290 nan 0.000 0.689 1297 L N 0.967 122.183 121.223 -0.013 0.000 2.326 1297 L HA -0.205 4.228 4.340 0.156 0.000 0.218 1297 L C 3.017 179.954 176.870 0.112 0.000 1.098 1297 L CA 2.210 57.075 54.840 0.042 0.000 0.778 1297 L CB -0.461 41.607 42.059 0.016 0.000 0.893 1297 L HN 0.399 nan 8.230 nan 0.000 0.440 1298 T N -2.648 111.940 114.554 0.055 0.000 2.818 1298 T HA -0.090 4.354 4.350 0.156 0.000 0.246 1298 T C 1.685 176.437 174.700 0.086 0.000 1.036 1298 T CA 0.629 62.797 62.100 0.114 0.000 1.160 1298 T CB -0.165 68.727 68.868 0.039 0.000 0.869 1298 T HN 0.091 nan 8.240 nan 0.000 0.419 1299 E N 0.828 121.044 120.200 0.025 0.000 2.108 1299 E HA -0.200 4.244 4.350 0.156 0.000 0.203 1299 E C 1.778 178.424 176.600 0.077 0.000 1.022 1299 E CA 1.548 57.980 56.400 0.053 0.000 0.823 1299 E CB -0.504 29.216 29.700 0.035 0.000 0.744 1299 E HN 0.671 nan 8.360 nan 0.000 0.456 1300 Y N -0.389 119.912 120.300 0.002 0.000 2.242 1300 Y HA -0.095 4.549 4.550 0.156 0.000 0.291 1300 Y C 2.383 178.296 175.900 0.020 0.000 1.137 1300 Y CA 1.663 59.777 58.100 0.024 0.000 1.181 1300 Y CB -0.295 38.194 38.460 0.048 0.000 0.989 1300 Y HN -0.030 nan 8.280 nan 0.000 0.527 1301 S N 0.023 115.844 115.700 0.203 0.000 2.555 1301 S HA -0.014 4.550 4.470 0.156 0.000 0.230 1301 S C 1.743 176.264 174.600 -0.132 0.000 0.978 1301 S CA 0.546 58.785 58.200 0.065 0.000 0.934 1301 S CB -0.367 62.958 63.200 0.208 0.000 0.766 1301 S HN 0.525 nan 8.310 nan 0.000 0.533 1302 L N 0.362 121.496 121.223 -0.148 0.000 2.168 1302 L HA 0.128 4.562 4.340 0.156 0.000 0.203 1302 L C 2.153 178.909 176.870 -0.189 0.000 1.078 1302 L CA 0.655 55.368 54.840 -0.213 0.000 0.780 1302 L CB -0.130 41.833 42.059 -0.159 0.000 0.939 1302 L HN 0.340 nan 8.230 nan 0.000 0.451 1303 L N -0.380 120.733 121.223 -0.184 0.000 2.084 1303 L HA 0.055 4.489 4.340 0.156 0.000 0.202 1303 L C 1.615 178.348 176.870 -0.229 0.000 1.074 1303 L CA 0.987 55.723 54.840 -0.174 0.000 0.757 1303 L CB -0.220 41.765 42.059 -0.124 0.000 0.918 1303 L HN -0.109 nan 8.230 nan 0.000 0.444 1304 V N 0.805 120.483 119.914 -0.393 0.000 3.976 1304 V HA -0.098 4.116 4.120 0.156 0.000 0.288 1304 V C 0.512 176.472 176.094 -0.222 0.000 1.047 1304 V CA 0.256 62.337 62.300 -0.364 0.000 1.072 1304 V CB -0.142 31.312 31.823 -0.614 0.000 1.191 1304 V HN 0.320 nan 8.190 nan 0.000 0.464 1305 K N -0.382 119.925 120.400 -0.156 0.000 2.375 1305 K HA 0.381 4.795 4.320 0.156 0.000 0.249 1305 K C -0.583 175.977 176.600 -0.066 0.000 0.942 1305 K CA -0.612 55.613 56.287 -0.104 0.000 0.806 1305 K CB 1.654 34.103 32.500 -0.084 0.000 1.227 1305 K HN 0.654 nan 8.250 nan 0.000 0.430 1306 Q N 1.858 121.627 119.800 -0.051 0.000 2.421 1306 Q HA 0.145 4.579 4.340 0.156 0.000 0.255 1306 Q C -0.780 175.196 176.000 -0.040 0.000 1.013 1306 Q CA 0.047 55.824 55.803 -0.042 0.000 0.895 1306 Q CB 0.530 29.239 28.738 -0.049 0.000 1.271 1306 Q HN 0.327 nan 8.270 nan 0.000 0.460 1307 L N 2.609 123.804 121.223 -0.047 0.000 2.506 1307 L HA 0.343 4.777 4.340 0.156 0.000 0.247 1307 L C -0.159 176.668 176.870 -0.071 0.000 1.141 1307 L CA -0.500 54.314 54.840 -0.043 0.000 0.973 1307 L CB 0.541 42.591 42.059 -0.015 0.000 1.319 1307 L HN 0.473 nan 8.230 nan 0.000 0.455 1308 R N 1.879 122.340 120.500 -0.066 0.000 3.841 1308 R HA -0.134 4.299 4.340 0.156 0.000 0.164 1308 R C -0.663 175.586 176.300 -0.085 0.000 0.560 1308 R CA 0.402 56.460 56.100 -0.069 0.000 0.881 1308 R CB 0.039 30.313 30.300 -0.043 0.000 1.050 1308 R HN 0.573 nan 8.270 nan 0.000 0.289 1309 L N 3.796 124.954 121.223 -0.108 0.000 2.439 1309 L HA 0.132 4.566 4.340 0.156 0.000 0.269 1309 L C 1.029 177.858 176.870 -0.068 0.000 1.179 1309 L CA 0.538 55.313 54.840 -0.107 0.000 0.828 1309 L CB 1.442 43.417 42.059 -0.139 0.000 1.106 1309 L HN 0.895 nan 8.230 nan 0.000 0.467 1310 S N 1.848 117.503 115.700 -0.076 0.000 2.795 1310 S HA 0.196 4.760 4.470 0.156 0.000 0.230 1310 S C 0.132 174.688 174.600 -0.074 0.000 0.749 1310 S CA -0.538 57.630 58.200 -0.054 0.000 1.066 1310 S CB 0.012 63.187 63.200 -0.041 0.000 1.466 1310 S HN 0.552 nan 8.310 nan 0.000 0.502 1311 M N 1.617 121.159 119.600 -0.097 0.000 1.653 1311 M HA 0.137 4.711 4.480 0.156 0.000 0.076 1311 M C 0.262 176.505 176.300 -0.095 0.000 0.979 1311 M CA 1.495 56.725 55.300 -0.116 0.000 0.310 1311 M CB 0.149 32.668 32.600 -0.134 0.000 0.589 1311 M HN 0.302 nan 8.290 nan 0.000 0.186 1312 D N -0.120 120.206 120.400 -0.124 0.000 3.785 1312 D HA 0.153 4.886 4.640 0.156 0.000 0.241 1312 D C -1.208 174.995 176.300 -0.163 0.000 1.488 1312 D CA -0.134 53.798 54.000 -0.113 0.000 0.912 1312 D CB 0.047 40.819 40.800 -0.048 0.000 1.418 1312 D HN 0.256 nan 8.370 nan 0.000 0.749 1313 I N 0.345 120.735 120.570 -0.299 0.000 3.112 1313 I HA 0.239 4.503 4.170 0.156 0.000 0.284 1313 I C 0.614 176.579 176.117 -0.252 0.000 1.227 1313 I CA 0.681 61.785 61.300 -0.326 0.000 1.369 1313 I CB 0.510 38.186 38.000 -0.539 0.000 1.376 1313 I HN 0.257 nan 8.210 nan 0.000 0.608 1314 D N 3.285 123.570 120.400 -0.191 0.000 2.452 1314 D HA 0.167 4.900 4.640 0.156 0.000 0.226 1314 D C -1.395 174.812 176.300 -0.156 0.000 1.366 1314 D CA -0.260 53.648 54.000 -0.152 0.000 0.986 1314 D CB 2.082 42.829 40.800 -0.088 0.000 1.420 1314 D HN 0.275 nan 8.370 nan 0.000 0.583 1315 V N 2.700 122.477 119.914 -0.230 0.000 2.732 1315 V HA 0.681 4.895 4.120 0.156 0.000 0.297 1315 V C -0.436 175.536 176.094 -0.203 0.000 1.060 1315 V CA 0.416 62.588 62.300 -0.213 0.000 1.038 1315 V CB 1.504 33.164 31.823 -0.270 0.000 1.003 1315 V HN 0.615 nan 8.190 nan 0.000 0.481 1316 S N 3.355 118.936 115.700 -0.199 0.000 2.558 1316 S HA 0.507 5.070 4.470 0.156 0.000 0.277 1316 S C -1.556 172.919 174.600 -0.209 0.000 1.143 1316 S CA -0.541 57.560 58.200 -0.164 0.000 0.865 1316 S CB 1.050 64.218 63.200 -0.054 0.000 1.102 1316 S HN 0.607 nan 8.310 nan 0.000 0.454 1317 Y N 2.541 122.864 120.300 0.039 0.000 2.359 1317 Y HA 0.243 4.887 4.550 0.156 0.000 0.330 1317 Y C 1.626 177.531 175.900 0.007 0.000 1.143 1317 Y CA -0.012 58.120 58.100 0.053 0.000 1.318 1317 Y CB 0.692 39.196 38.460 0.073 0.000 1.234 1317 Y HN 0.814 nan 8.280 nan 0.000 0.522 1318 K N 1.223 121.694 120.400 0.118 0.000 2.074 1318 K HA -0.233 4.181 4.320 0.156 0.000 0.209 1318 K C 0.526 176.954 176.600 -0.286 0.000 1.048 1318 K CA 2.369 58.574 56.287 -0.136 0.000 0.926 1318 K CB -0.033 32.323 32.500 -0.240 0.000 0.713 1318 K HN 0.887 nan 8.250 nan 0.000 0.444 1319 H N -1.544 117.588 119.070 0.103 0.000 2.408 1319 H HA 0.208 4.857 4.556 0.156 0.000 0.271 1319 H C -0.085 175.277 175.328 0.057 0.000 0.957 1319 H CA -0.115 55.967 56.048 0.058 0.000 1.170 1319 H CB 0.055 29.831 29.762 0.024 0.000 1.458 1319 H HN -0.073 nan 8.280 nan 0.000 0.491 1320 K N 2.195 122.709 120.400 0.190 0.000 2.469 1320 K HA 0.084 4.498 4.320 0.156 0.000 0.274 1320 K C 0.832 177.512 176.600 0.134 0.000 0.983 1320 K CA 0.431 56.770 56.287 0.086 0.000 0.974 1320 K CB 0.126 32.568 32.500 -0.097 0.000 0.913 1320 K HN 0.331 nan 8.250 nan 0.000 0.493 1321 G N 1.787 110.639 108.800 0.087 0.000 2.846 1321 G HA2 0.252 4.306 3.960 0.156 0.000 0.257 1321 G HA3 0.252 4.306 3.960 0.156 0.000 0.257 1321 G C -0.592 174.402 174.900 0.157 0.000 1.253 1321 G CA -0.062 45.096 45.100 0.096 0.000 0.918 1321 G HN 0.895 nan 8.290 nan 0.000 0.597 1322 A N -0.553 122.340 122.820 0.123 0.000 2.401 1322 A HA 0.516 4.929 4.320 0.156 0.000 0.259 1322 A C 0.300 177.984 177.584 0.166 0.000 1.103 1322 A CA -0.367 51.747 52.037 0.128 0.000 0.789 1322 A CB 0.756 19.799 19.000 0.072 0.000 1.035 1322 A HN 0.960 nan 8.150 nan 0.000 0.491 1323 L N 2.510 123.843 121.223 0.184 0.000 2.600 1323 L HA 0.438 4.872 4.340 0.156 0.000 0.221 1323 L C 1.043 177.991 176.870 0.130 0.000 1.197 1323 L CA -0.024 54.935 54.840 0.197 0.000 0.838 1323 L CB 0.118 42.282 42.059 0.175 0.000 1.474 1323 L HN 0.917 nan 8.230 nan 0.000 0.514 1324 H N 0.206 119.323 119.070 0.079 0.000 2.935 1324 H HA 0.279 4.929 4.556 0.156 0.000 0.376 1324 H C -0.775 174.634 175.328 0.134 0.000 1.307 1324 H CA 0.193 56.295 56.048 0.090 0.000 1.442 1324 H CB -0.130 29.668 29.762 0.060 0.000 1.427 1324 H HN 0.660 nan 8.280 nan 0.000 0.615 1325 N N 0.996 119.796 118.700 0.167 0.000 2.554 1325 N HA 0.172 5.006 4.740 0.156 0.000 0.271 1325 N C -1.949 173.721 175.510 0.266 0.000 1.081 1325 N CA -0.884 52.233 53.050 0.112 0.000 0.994 1325 N CB 1.584 40.081 38.487 0.017 0.000 1.641 1325 N HN 0.871 nan 8.380 nan 0.000 0.511 1326 Y N -1.032 119.286 120.300 0.030 0.000 2.396 1326 Y HA 0.479 5.123 4.550 0.156 0.000 0.332 1326 Y C -0.433 175.492 175.900 0.042 0.000 1.034 1326 Y CA -1.174 56.964 58.100 0.062 0.000 1.057 1326 Y CB 1.490 40.018 38.460 0.113 0.000 1.220 1326 Y HN 0.450 nan 8.280 nan 0.000 0.440 1327 K N 5.539 125.994 120.400 0.090 0.000 2.361 1327 K HA 0.113 4.526 4.320 0.156 0.000 0.283 1327 K C -0.086 176.557 176.600 0.070 0.000 1.078 1327 K CA -0.052 56.253 56.287 0.029 0.000 1.041 1327 K CB 0.270 32.802 32.500 0.054 0.000 0.932 1327 K HN 0.939 nan 8.250 nan 0.000 0.462 1328 M N 4.181 123.772 119.600 -0.015 0.000 2.241 1328 M HA 0.125 4.699 4.480 0.156 0.000 0.335 1328 M C -0.307 176.033 176.300 0.067 0.000 1.122 1328 M CA 0.661 55.999 55.300 0.063 0.000 1.164 1328 M CB 0.808 33.401 32.600 -0.012 0.000 1.459 1328 M HN 0.865 nan 8.290 nan 0.000 0.461 1329 T N -1.073 113.552 114.554 0.118 0.000 2.627 1329 T HA 0.308 4.752 4.350 0.156 0.000 0.294 1329 T C -0.295 174.494 174.700 0.149 0.000 1.230 1329 T CA -0.764 61.390 62.100 0.090 0.000 1.084 1329 T CB 0.404 69.326 68.868 0.090 0.000 1.693 1329 T HN 0.617 nan 8.240 nan 0.000 0.465 1330 D N 0.109 120.585 120.400 0.127 0.000 2.339 1330 D HA 0.136 4.869 4.640 0.156 0.000 0.217 1330 D C 1.339 177.788 176.300 0.249 0.000 1.050 1330 D CA 0.121 54.243 54.000 0.203 0.000 0.856 1330 D CB 0.260 41.103 40.800 0.071 0.000 0.922 1330 D HN 0.225 nan 8.370 nan 0.000 0.518 1331 K N 1.459 121.983 120.400 0.207 0.000 1.975 1331 K HA -0.021 4.393 4.320 0.156 0.000 0.210 1331 K C 1.201 177.979 176.600 0.297 0.000 1.041 1331 K CA 0.627 57.068 56.287 0.257 0.000 0.942 1331 K CB -0.699 31.955 32.500 0.256 0.000 0.729 1331 K HN 0.256 nan 8.250 nan 0.000 0.439 1332 N N 0.454 119.288 118.700 0.223 0.000 2.419 1332 N HA 0.107 4.940 4.740 0.156 0.000 0.277 1332 N C -0.161 175.490 175.510 0.235 0.000 1.006 1332 N CA -0.236 52.902 53.050 0.147 0.000 0.923 1332 N CB 1.264 39.828 38.487 0.129 0.000 1.140 1332 N HN 0.130 nan 8.380 nan 0.000 0.488 1333 F N 0.817 120.815 119.950 0.080 0.000 2.897 1333 F HA 0.352 4.973 4.527 0.156 0.000 0.364 1333 F C 0.259 176.095 175.800 0.060 0.000 0.940 1333 F CA -0.490 57.549 58.000 0.065 0.000 1.106 1333 F CB 0.244 39.254 39.000 0.015 0.000 1.034 1333 F HN 0.145 nan 8.300 nan 0.000 0.583 1334 L N 2.742 123.817 121.223 -0.246 0.000 2.715 1334 L HA 0.371 4.804 4.340 0.156 0.000 0.238 1334 L C 1.261 178.109 176.870 -0.037 0.000 1.212 1334 L CA 0.408 55.179 54.840 -0.115 0.000 1.017 1334 L CB -1.782 40.135 42.059 -0.236 0.000 1.269 1334 L HN 0.325 nan 8.230 nan 0.000 0.452 1335 G N 1.591 110.398 108.800 0.011 0.000 3.026 1335 G HA2 -0.109 3.945 3.960 0.156 0.000 0.232 1335 G HA3 -0.109 3.945 3.960 0.156 0.000 0.232 1335 G C 0.616 175.479 174.900 -0.062 0.000 1.241 1335 G CA -0.379 44.702 45.100 -0.032 0.000 0.858 1335 G HN 0.673 nan 8.290 nan 0.000 0.592 1336 R N 1.216 121.638 120.500 -0.129 0.000 2.678 1336 R HA 0.198 4.632 4.340 0.156 0.000 0.264 1336 R C -2.417 173.821 176.300 -0.104 0.000 0.995 1336 R CA -0.663 55.365 56.100 -0.120 0.000 1.098 1336 R CB -0.602 29.585 30.300 -0.188 0.000 0.949 1336 R HN 0.272 nan 8.270 nan 0.000 0.422 1337 P HA 0.212 nan 4.420 nan 0.000 0.275 1337 P C -0.947 176.300 177.300 -0.089 0.000 1.266 1337 P CA -0.594 62.461 63.100 -0.075 0.000 0.793 1337 P CB 0.746 32.474 31.700 0.046 0.000 1.074 1338 V N 0.100 119.965 119.914 -0.082 0.000 2.852 1338 V HA 0.145 4.359 4.120 0.156 0.000 0.300 1338 V C -0.766 175.315 176.094 -0.021 0.000 1.205 1338 V CA -0.566 61.704 62.300 -0.050 0.000 0.940 1338 V CB 2.089 33.886 31.823 -0.043 0.000 1.047 1338 V HN 0.481 nan 8.190 nan 0.000 0.429 1339 E N 2.765 122.971 120.200 0.011 0.000 2.227 1339 E HA 0.444 4.888 4.350 0.156 0.000 0.282 1339 E C -0.696 175.943 176.600 0.065 0.000 1.015 1339 E CA -0.511 55.908 56.400 0.032 0.000 0.823 1339 E CB 2.108 31.836 29.700 0.048 0.000 1.081 1339 E HN 0.442 nan 8.360 nan 0.000 0.396 1340 V N 6.044 125.997 119.914 0.064 0.000 2.415 1340 V HA -0.068 4.146 4.120 0.156 0.000 0.267 1340 V C 1.121 177.328 176.094 0.188 0.000 1.042 1340 V CA 0.065 62.453 62.300 0.147 0.000 1.000 1340 V CB 0.113 32.002 31.823 0.110 0.000 1.015 1340 V HN 0.695 nan 8.190 nan 0.000 0.478 1341 L N 5.198 126.558 121.223 0.229 0.000 1.947 1341 L HA 0.076 4.510 4.340 0.156 0.000 0.211 1341 L C 1.367 178.330 176.870 0.154 0.000 1.098 1341 L CA 1.401 56.334 54.840 0.154 0.000 0.767 1341 L CB -0.901 41.223 42.059 0.108 0.000 0.891 1341 L HN 0.444 nan 8.230 nan 0.000 0.436 1342 L N 0.039 121.298 121.223 0.059 0.000 2.257 1342 L HA -0.101 4.333 4.340 0.156 0.000 0.208 1342 L C 0.478 177.416 176.870 0.113 0.000 1.157 1342 L CA 0.390 55.198 54.840 -0.053 0.000 0.836 1342 L CB -0.395 41.422 42.059 -0.403 0.000 1.175 1342 L HN 0.357 nan 8.230 nan 0.000 0.589 1343 N N 0.209 118.897 118.700 -0.020 0.000 2.706 1343 N HA 0.291 5.125 4.740 0.156 0.000 0.240 1343 N C -1.305 174.056 175.510 -0.249 0.000 1.039 1343 N CA -0.240 52.712 53.050 -0.164 0.000 0.888 1343 N CB 0.901 39.189 38.487 -0.332 0.000 1.128 1343 N HN 0.480 nan 8.380 nan 0.000 0.512 1344 D N 0.578 121.020 120.400 0.069 0.000 2.639 1344 D HA 0.232 4.966 4.640 0.156 0.000 0.271 1344 D C -1.570 174.975 176.300 0.409 0.000 1.254 1344 D CA -0.397 53.742 54.000 0.232 0.000 0.810 1344 D CB 1.902 42.934 40.800 0.387 0.000 1.351 1344 D HN 0.152 nan 8.370 nan 0.000 0.427 1345 D N 0.513 121.111 120.400 0.330 0.000 2.255 1345 D HA 0.374 5.108 4.640 0.156 0.000 0.249 1345 D C -0.164 176.253 176.300 0.195 0.000 1.078 1345 D CA -0.352 53.810 54.000 0.270 0.000 0.896 1345 D CB 1.049 41.960 40.800 0.185 0.000 1.194 1345 D HN 0.071 nan 8.370 nan 0.000 0.429 1346 L N 2.079 123.406 121.223 0.174 0.000 2.399 1346 L HA 0.583 5.017 4.340 0.156 0.000 0.265 1346 L C -0.763 176.158 176.870 0.084 0.000 1.089 1346 L CA -0.503 54.392 54.840 0.091 0.000 0.802 1346 L CB 0.828 42.959 42.059 0.120 0.000 1.180 1346 L HN 0.424 nan 8.230 nan 0.000 0.454 1347 I N 2.943 123.525 120.570 0.021 0.000 2.588 1347 I HA 0.283 4.547 4.170 0.156 0.000 0.278 1347 I C -0.837 175.276 176.117 -0.006 0.000 1.144 1347 I CA -0.809 60.492 61.300 0.002 0.000 1.074 1347 I CB 1.361 39.337 38.000 -0.039 0.000 1.235 1347 I HN 0.093 nan 8.210 nan 0.000 0.472 1348 V N 4.107 124.057 119.914 0.060 0.000 2.686 1348 V HA 0.458 4.672 4.120 0.156 0.000 0.295 1348 V C 0.831 176.908 176.094 -0.028 0.000 1.055 1348 V CA 0.158 62.469 62.300 0.018 0.000 1.050 1348 V CB 1.362 33.246 31.823 0.102 0.000 0.984 1348 V HN 0.977 nan 8.190 nan 0.000 0.482 1349 S N 0.766 116.433 115.700 -0.056 0.000 2.753 1349 S HA 0.095 4.659 4.470 0.156 0.000 0.147 1349 S C -0.313 174.252 174.600 -0.059 0.000 0.980 1349 S CA -0.295 57.873 58.200 -0.054 0.000 1.044 1349 S CB 0.091 63.263 63.200 -0.048 0.000 1.715 1349 S HN 0.737 nan 8.310 nan 0.000 0.515 1350 T N 1.620 116.130 114.554 -0.072 0.000 2.785 1350 T HA 0.428 4.872 4.350 0.156 0.000 0.341 1350 T C 1.329 176.009 174.700 -0.034 0.000 1.093 1350 T CA 1.172 63.226 62.100 -0.077 0.000 1.103 1350 T CB 0.020 68.832 68.868 -0.094 0.000 1.011 1350 T HN 0.777 nan 8.240 nan 0.000 0.549 1351 G N 1.675 110.465 108.800 -0.017 0.000 3.022 1351 G HA2 0.331 4.385 3.960 0.156 0.000 0.157 1351 G HA3 0.331 4.385 3.960 0.156 0.000 0.157 1351 G C 0.374 175.332 174.900 0.097 0.000 1.691 1351 G CA -0.073 45.051 45.100 0.040 0.000 1.079 1351 G HN 0.633 nan 8.290 nan 0.000 0.549 1352 F N 0.991 120.925 119.950 -0.027 0.000 2.125 1352 F HA 0.414 5.035 4.527 0.157 0.000 0.279 1352 F C 1.629 177.415 175.800 -0.024 0.000 1.309 1352 F CA 1.667 59.654 58.000 -0.022 0.000 1.102 1352 F CB -0.535 38.455 39.000 -0.016 0.000 0.968 1352 F HN 1.026 nan 8.300 nan 0.000 0.513 1353 G N -0.293 108.155 108.800 -0.585 0.000 2.466 1353 G HA2 0.238 4.292 3.960 0.156 0.000 0.218 1353 G HA3 0.238 4.292 3.960 0.156 0.000 0.218 1353 G C -0.766 173.753 174.900 -0.635 0.000 1.237 1353 G CA 0.218 45.034 45.100 -0.474 0.000 0.954 1353 G HN 1.650 nan 8.290 nan 0.000 0.580 1354 S N -1.652 113.837 115.700 -0.352 0.000 2.595 1354 S HA 0.890 5.454 4.470 0.156 0.000 0.270 1354 S C 0.891 175.392 174.600 -0.166 0.000 1.145 1354 S CA 0.723 58.767 58.200 -0.261 0.000 0.825 1354 S CB 1.197 64.290 63.200 -0.179 0.000 1.107 1354 S HN 3.279 nan 8.310 nan 0.000 0.461 1355 G N 0.441 109.169 108.800 -0.120 0.000 2.512 1355 G HA2 0.012 4.066 3.960 0.156 0.000 0.240 1355 G HA3 0.012 4.066 3.960 0.156 0.000 0.240 1355 G C -1.205 173.646 174.900 -0.081 0.000 1.246 1355 G CA -0.180 44.865 45.100 -0.092 0.000 0.919 1355 G HN 1.552 nan 8.290 nan 0.000 0.577 1356 L N 0.144 121.308 121.223 -0.097 0.000 2.528 1356 L HA 0.678 5.111 4.340 0.156 0.000 0.267 1356 L C 0.049 176.855 176.870 -0.107 0.000 0.961 1356 L CA -0.220 54.562 54.840 -0.097 0.000 0.866 1356 L CB 1.883 43.886 42.059 -0.093 0.000 1.248 1356 L HN 1.501 nan 8.230 nan 0.000 0.404 1357 A N 1.392 124.154 122.820 -0.096 0.000 2.311 1357 A HA 0.676 5.090 4.320 0.156 0.000 0.306 1357 A C 0.002 177.539 177.584 -0.078 0.000 1.189 1357 A CA -0.510 51.483 52.037 -0.074 0.000 0.791 1357 A CB 0.903 19.860 19.000 -0.072 0.000 1.172 1357 A HN 0.581 nan 8.150 nan 0.000 0.481 1358 T N 0.932 115.447 114.554 -0.064 0.000 2.992 1358 T HA 0.368 4.812 4.350 0.156 0.000 0.299 1358 T C -0.036 174.589 174.700 -0.126 0.000 1.027 1358 T CA -0.389 61.640 62.100 -0.118 0.000 1.001 1358 T CB -0.059 68.763 68.868 -0.077 0.000 1.005 1358 T HN 0.333 nan 8.240 nan 0.000 0.599 1359 V N 4.846 124.679 119.914 -0.136 0.000 2.403 1359 V HA 0.136 4.350 4.120 0.156 0.000 0.265 1359 V C 0.215 176.179 176.094 -0.217 0.000 1.034 1359 V CA -0.143 62.098 62.300 -0.099 0.000 1.036 1359 V CB -1.169 30.662 31.823 0.014 0.000 1.032 1359 V HN 0.844 nan 8.190 nan 0.000 0.478 1360 H N 2.654 121.649 119.070 -0.126 0.000 2.567 1360 H HA 0.744 5.394 4.556 0.157 0.000 0.345 1360 H C -0.492 174.639 175.328 -0.328 0.000 1.169 1360 H CA -0.617 55.331 56.048 -0.167 0.000 1.227 1360 H CB 2.066 31.763 29.762 -0.108 0.000 1.607 1360 H HN 0.364 nan 8.280 nan 0.000 0.534 1361 V N 2.113 121.910 119.914 -0.194 0.000 2.614 1361 V HA 0.111 4.324 4.120 0.156 0.000 0.281 1361 V C -0.615 175.346 176.094 -0.222 0.000 1.031 1361 V CA -0.453 61.621 62.300 -0.377 0.000 0.899 1361 V CB 1.803 33.092 31.823 -0.891 0.000 1.037 1361 V HN 0.870 nan 8.190 nan 0.000 0.456 1362 T N 3.984 118.472 114.554 -0.110 0.000 2.832 1362 T HA 0.398 4.842 4.350 0.156 0.000 0.313 1362 T C 0.213 174.873 174.700 -0.067 0.000 1.035 1362 T CA 0.052 62.118 62.100 -0.057 0.000 0.950 1362 T CB 0.278 69.180 68.868 0.056 0.000 0.984 1362 T HN 0.875 nan 8.240 nan 0.000 0.486 1363 T N 2.733 117.217 114.554 -0.117 0.000 2.767 1363 T HA 0.652 5.096 4.350 0.156 0.000 0.288 1363 T C -0.293 174.357 174.700 -0.083 0.000 0.963 1363 T CA -0.641 61.393 62.100 -0.109 0.000 1.019 1363 T CB 0.929 69.706 68.868 -0.153 0.000 0.923 1363 T HN 0.288 nan 8.240 nan 0.000 0.468 1364 V N 4.672 124.555 119.914 -0.053 0.000 2.555 1364 V HA 0.791 5.004 4.120 0.156 0.000 0.302 1364 V C -0.357 175.714 176.094 -0.038 0.000 1.038 1364 V CA -0.694 61.573 62.300 -0.055 0.000 0.887 1364 V CB 1.703 33.502 31.823 -0.039 0.000 0.991 1364 V HN 0.901 nan 8.190 nan 0.000 0.434 1365 V N 4.042 123.908 119.914 -0.080 0.000 3.012 1365 V HA 0.569 4.782 4.120 0.156 0.000 0.307 1365 V C -1.478 174.572 176.094 -0.073 0.000 1.166 1365 V CA -0.612 61.694 62.300 0.009 0.000 0.974 1365 V CB 2.662 34.498 31.823 0.020 0.000 1.040 1365 V HN 1.015 nan 8.190 nan 0.000 0.428 1366 H N 4.511 123.606 119.070 0.041 0.000 2.519 1366 H HA 0.586 5.236 4.556 0.156 0.000 0.316 1366 H C -0.065 175.310 175.328 0.078 0.000 1.065 1366 H CA -0.559 55.527 56.048 0.064 0.000 1.264 1366 H CB 0.845 30.648 29.762 0.069 0.000 1.413 1366 H HN 0.625 nan 8.280 nan 0.000 0.465 1367 K N 0.122 120.628 120.400 0.178 0.000 2.295 1367 K HA 0.425 4.839 4.320 0.156 0.000 0.239 1367 K C 0.308 177.058 176.600 0.249 0.000 0.991 1367 K CA -0.747 55.641 56.287 0.167 0.000 0.845 1367 K CB 1.507 34.074 32.500 0.111 0.000 1.197 1367 K HN 0.543 nan 8.250 nan 0.000 0.441 1368 T N -2.819 111.878 114.554 0.237 0.000 3.014 1368 T HA 0.145 4.589 4.350 0.156 0.000 0.250 1368 T C 0.211 175.189 174.700 0.463 0.000 1.060 1368 T CA -0.087 62.198 62.100 0.307 0.000 1.040 1368 T CB 0.104 69.058 68.868 0.144 0.000 0.971 1368 T HN 0.385 nan 8.240 nan 0.000 0.497 1369 S N 0.241 116.116 115.700 0.292 0.000 2.536 1369 S HA 0.521 5.085 4.470 0.156 0.000 0.287 1369 S C 0.207 174.870 174.600 0.105 0.000 1.101 1369 S CA -0.730 57.608 58.200 0.230 0.000 0.950 1369 S CB 2.113 65.407 63.200 0.157 0.000 1.056 1369 S HN 0.218 nan 8.310 nan 0.000 0.481 1370 T N 1.248 115.837 114.554 0.058 0.000 3.069 1370 T HA 0.009 4.453 4.350 0.156 0.000 0.252 1370 T C 2.089 176.808 174.700 0.031 0.000 1.053 1370 T CA 0.614 62.714 62.100 -0.000 0.000 0.964 1370 T CB -0.068 68.761 68.868 -0.064 0.000 1.005 1370 T HN 0.719 nan 8.240 nan 0.000 0.532 1371 S N 2.808 118.546 115.700 0.062 0.000 2.392 1371 S HA -0.320 4.244 4.470 0.156 0.000 0.232 1371 S C 1.889 176.515 174.600 0.044 0.000 1.041 1371 S CA 1.792 60.028 58.200 0.060 0.000 1.026 1371 S CB -0.497 62.746 63.200 0.071 0.000 0.845 1371 S HN 0.837 nan 8.310 nan 0.000 0.465 1372 E N 2.148 122.373 120.200 0.041 0.000 2.000 1372 E HA -0.126 4.318 4.350 0.156 0.000 0.199 1372 E C 0.838 177.450 176.600 0.020 0.000 1.011 1372 E CA 0.826 57.245 56.400 0.032 0.000 0.836 1372 E CB -0.878 28.843 29.700 0.035 0.000 0.778 1372 E HN 0.672 nan 8.360 nan 0.000 0.462 1373 E N 0.871 121.080 120.200 0.014 0.000 2.566 1373 E HA -0.041 4.403 4.350 0.156 0.000 0.272 1373 E C -0.478 176.119 176.600 -0.005 0.000 1.229 1373 E CA 0.175 56.576 56.400 0.002 0.000 1.103 1373 E CB 0.383 30.079 29.700 -0.007 0.000 1.040 1373 E HN 0.089 nan 8.360 nan 0.000 0.479 1374 V N 1.559 121.465 119.914 -0.014 0.000 2.385 1374 V HA 0.055 4.268 4.120 0.156 0.000 0.269 1374 V C 0.111 176.182 176.094 -0.038 0.000 1.043 1374 V CA -0.714 61.569 62.300 -0.028 0.000 0.906 1374 V CB 0.685 32.487 31.823 -0.035 0.000 0.995 1374 V HN 0.691 nan 8.190 nan 0.000 0.467 1375 c N 4.406 122.974 118.600 -0.053 0.000 2.499 1375 c HA 0.341 5.005 4.570 0.156 0.000 0.386 1375 c C 1.659 175.648 174.090 -0.168 0.000 1.293 1375 c CA -0.091 56.191 56.329 -0.079 0.000 1.884 1375 c CB 0.323 42.796 42.510 -0.063 0.000 2.509 1375 c HN 1.028 nan 8.230 nan 0.000 0.566 1376 S N 1.385 116.996 115.700 -0.147 0.000 2.526 1376 S HA 0.288 4.852 4.470 0.156 0.000 0.220 1376 S C -0.226 174.053 174.600 -0.534 0.000 1.017 1376 S CA 0.060 58.086 58.200 -0.290 0.000 0.930 1376 S CB 0.172 63.278 63.200 -0.156 0.000 0.856 1376 S HN 0.641 nan 8.310 nan 0.000 0.497 1377 F N 1.378 121.224 119.950 -0.174 0.000 2.539 1377 F HA 0.500 5.120 4.527 0.156 0.000 0.318 1377 F C -0.786 174.915 175.800 -0.164 0.000 1.135 1377 F CA -1.357 56.554 58.000 -0.147 0.000 0.915 1377 F CB 1.066 40.032 39.000 -0.057 0.000 1.176 1377 F HN -0.029 nan 8.300 nan 0.000 0.440 1378 Y N 4.139 124.493 120.300 0.091 0.000 2.319 1378 Y HA 0.581 5.225 4.550 0.156 0.000 0.328 1378 Y C 0.072 176.062 175.900 0.150 0.000 1.133 1378 Y CA -0.551 57.570 58.100 0.035 0.000 1.265 1378 Y CB 0.535 38.895 38.460 -0.167 0.000 1.218 1378 Y HN 0.332 nan 8.280 nan 0.000 0.508 1379 L N 3.405 124.912 121.223 0.474 0.000 2.341 1379 L HA 0.685 5.118 4.340 0.156 0.000 0.254 1379 L C -1.212 175.986 176.870 0.547 0.000 1.040 1379 L CA -1.365 53.806 54.840 0.550 0.000 0.837 1379 L CB 2.927 45.231 42.059 0.409 0.000 1.425 1379 L HN 0.521 nan 8.230 nan 0.000 0.414 1380 K N 1.322 121.994 120.400 0.453 0.000 2.571 1380 K HA 0.629 5.043 4.320 0.156 0.000 0.252 1380 K C -1.617 175.067 176.600 0.139 0.000 0.956 1380 K CA -0.573 55.850 56.287 0.227 0.000 0.822 1380 K CB 2.735 35.266 32.500 0.053 0.000 1.286 1380 K HN 0.488 nan 8.250 nan 0.000 0.439 1381 I N 2.950 123.590 120.570 0.118 0.000 2.582 1381 I HA 0.411 4.675 4.170 0.156 0.000 0.292 1381 I C -1.773 174.412 176.117 0.114 0.000 1.066 1381 I CA -0.227 61.081 61.300 0.015 0.000 1.053 1381 I CB 1.749 39.676 38.000 -0.120 0.000 1.241 1381 I HN 0.942 nan 8.210 nan 0.000 0.421 1382 D N 3.765 124.211 120.400 0.077 0.000 2.663 1382 D HA 0.184 4.918 4.640 0.156 0.000 0.233 1382 D C -1.426 174.875 176.300 0.002 0.000 1.240 1382 D CA -0.428 53.613 54.000 0.068 0.000 0.774 1382 D CB 2.078 42.892 40.800 0.023 0.000 1.443 1382 D HN 0.367 nan 8.370 nan 0.000 0.441 1383 T N -0.675 113.857 114.554 -0.036 0.000 2.743 1383 T HA 0.446 4.890 4.350 0.156 0.000 0.292 1383 T C 0.212 174.842 174.700 -0.117 0.000 0.972 1383 T CA -0.686 61.349 62.100 -0.109 0.000 0.967 1383 T CB 1.845 70.622 68.868 -0.153 0.000 0.926 1383 T HN 0.356 nan 8.240 nan 0.000 0.459 1384 Q N 1.488 121.210 119.800 -0.130 0.000 2.171 1384 Q HA 0.359 4.793 4.340 0.156 0.000 0.217 1384 Q C 0.173 176.095 176.000 -0.130 0.000 0.995 1384 Q CA -0.927 54.810 55.803 -0.110 0.000 0.979 1384 Q CB 0.975 29.658 28.738 -0.092 0.000 1.152 1384 Q HN 0.659 nan 8.270 nan 0.000 0.525 1385 D N -0.612 119.729 120.400 -0.099 0.000 2.457 1385 D HA 0.191 4.924 4.640 0.156 0.000 0.254 1385 D C 0.653 176.921 176.300 -0.054 0.000 1.097 1385 D CA 0.144 54.086 54.000 -0.097 0.000 0.870 1385 D CB 0.826 41.575 40.800 -0.084 0.000 1.253 1385 D HN 0.363 nan 8.370 nan 0.000 0.500 1400 K N 1.426 121.679 120.400 -0.245 0.000 2.584 1400 K HA 0.567 4.981 4.320 0.156 0.000 0.260 1400 K C -1.563 174.859 176.600 -0.296 0.000 0.949 1400 K CA -0.969 55.103 56.287 -0.357 0.000 0.888 1400 K CB 2.533 34.685 32.500 -0.580 0.000 1.330 1400 K HN 0.305 nan 8.250 nan 0.000 0.432 1401 R N 3.985 124.322 120.500 -0.273 0.000 2.668 1401 R HA 0.446 4.880 4.340 0.156 0.000 0.272 1401 R C -1.616 174.478 176.300 -0.343 0.000 1.019 1401 R CA -0.664 55.240 56.100 -0.327 0.000 0.894 1401 R CB 1.506 31.671 30.300 -0.224 0.000 1.228 1401 R HN 0.845 nan 8.270 nan 0.000 0.460 1402 I N 3.309 123.558 120.570 -0.536 0.000 2.342 1402 I HA 0.262 4.526 4.170 0.156 0.000 0.291 1402 I C -0.240 175.722 176.117 -0.257 0.000 1.010 1402 I CA -0.929 60.107 61.300 -0.440 0.000 1.308 1402 I CB 1.843 39.423 38.000 -0.700 0.000 1.400 1402 I HN 0.216 nan 8.210 nan 0.000 0.488 1403 V N 6.652 126.483 119.914 -0.138 0.000 2.325 1403 V HA 0.533 4.747 4.120 0.156 0.000 0.280 1403 V C 0.205 176.246 176.094 -0.087 0.000 1.016 1403 V CA -0.468 61.788 62.300 -0.074 0.000 0.818 1403 V CB 1.207 32.997 31.823 -0.056 0.000 1.019 1403 V HN 0.815 nan 8.190 nan 0.000 0.434 1404 A N 4.251 126.993 122.820 -0.130 0.000 2.330 1404 A HA 0.840 5.254 4.320 0.156 0.000 0.327 1404 A C -0.216 177.304 177.584 -0.107 0.000 1.155 1404 A CA -0.334 51.531 52.037 -0.286 0.000 0.803 1404 A CB 1.065 19.586 19.000 -0.798 0.000 1.208 1404 A HN 0.814 nan 8.150 nan 0.000 0.477 1405 c N 0.387 119.028 118.600 0.068 0.000 2.871 1405 c HA 1.060 5.724 4.570 0.156 0.000 0.351 1405 c C 0.403 174.844 174.090 0.585 0.000 1.338 1405 c CA 0.137 56.663 56.329 0.329 0.000 1.686 1405 c CB 1.393 44.071 42.510 0.281 0.000 2.135 1405 c HN 1.520 nan 8.230 nan 0.000 0.476 1406 A N 0.363 123.605 122.820 0.704 0.000 2.590 1406 A HA 0.778 5.192 4.320 0.156 0.000 0.294 1406 A C -1.074 176.516 177.584 0.010 0.000 1.046 1406 A CA -0.012 52.268 52.037 0.406 0.000 0.684 1406 A CB 1.054 20.251 19.000 0.328 0.000 1.279 1406 A HN 1.323 nan 8.150 nan 0.000 0.415 1407 S N 0.096 115.676 115.700 -0.200 0.000 2.540 1407 S HA 0.612 5.176 4.470 0.156 0.000 0.275 1407 S C -1.308 173.378 174.600 0.143 0.000 1.123 1407 S CA -0.396 57.719 58.200 -0.141 0.000 0.907 1407 S CB 1.098 63.995 63.200 -0.504 0.000 1.081 1407 S HN 1.575 nan 8.310 nan 0.000 0.476 1408 Y N 3.656 123.968 120.300 0.019 0.000 2.411 1408 Y HA 0.389 5.033 4.550 0.157 0.000 0.333 1408 Y C 0.030 175.739 175.900 -0.318 0.000 1.186 1408 Y CA -0.124 57.850 58.100 -0.210 0.000 1.381 1408 Y CB 0.528 38.907 38.460 -0.136 0.000 1.273 1408 Y HN 0.625 nan 8.280 nan 0.000 0.546 1409 K N 8.524 128.226 120.400 -1.163 0.000 2.257 1409 K HA 0.276 4.690 4.320 0.156 0.000 0.270 1409 K C -2.622 173.117 176.600 -1.436 0.000 1.098 1409 K CA -1.764 53.862 56.287 -1.102 0.000 0.943 1409 K CB 0.506 32.447 32.500 -0.933 0.000 1.316 1409 K HN 0.443 nan 8.250 nan 0.000 0.447 1410 P HA -0.000 nan 4.420 nan 0.000 0.266 1410 P C -0.600 176.456 177.300 -0.407 0.000 1.215 1410 P CA 0.159 62.802 63.100 -0.760 0.000 0.763 1410 P CB 0.773 32.254 31.700 -0.364 0.000 0.806 1411 S N 3.341 118.882 115.700 -0.265 0.000 2.584 1411 S HA 0.122 4.686 4.470 0.156 0.000 0.270 1411 S C 0.615 175.153 174.600 -0.104 0.000 1.346 1411 S CA -0.659 57.451 58.200 -0.150 0.000 1.018 1411 S CB 0.188 63.340 63.200 -0.080 0.000 0.899 1411 S HN 0.456 nan 8.310 nan 0.000 0.542 1412 R N 1.352 121.802 120.500 -0.083 0.000 2.758 1412 R HA 0.059 4.493 4.340 0.156 0.000 0.263 1412 R C -0.072 176.197 176.300 -0.052 0.000 1.010 1412 R CA 0.081 56.142 56.100 -0.065 0.000 1.114 1412 R CB -0.079 30.187 30.300 -0.056 0.000 0.985 1412 R HN 0.653 nan 8.270 nan 0.000 0.439 1413 E N -1.879 118.290 120.200 -0.052 0.000 4.086 1413 E HA -0.218 4.226 4.350 0.156 0.000 0.363 1413 E C -0.763 175.825 176.600 -0.019 0.000 0.616 1413 E CA 1.806 58.179 56.400 -0.044 0.000 1.293 1413 E CB -1.084 28.586 29.700 -0.050 0.000 1.747 1413 E HN 0.878 nan 8.360 nan 0.000 0.405 1414 E N 0.856 121.044 120.200 -0.020 0.000 2.313 1414 E HA 0.359 4.802 4.350 0.156 0.000 0.272 1414 E C -0.027 176.577 176.600 0.007 0.000 1.038 1414 E CA -0.055 56.347 56.400 0.003 0.000 0.863 1414 E CB 1.184 30.895 29.700 0.017 0.000 1.060 1414 E HN 0.043 nan 8.360 nan 0.000 0.402 1415 S N 0.627 116.344 115.700 0.028 0.000 2.579 1415 S HA -0.039 4.525 4.470 0.156 0.000 0.275 1415 S C 1.366 175.986 174.600 0.033 0.000 1.345 1415 S CA 0.164 58.382 58.200 0.029 0.000 1.031 1415 S CB 0.669 63.891 63.200 0.036 0.000 0.892 1415 S HN 0.621 nan 8.310 nan 0.000 0.529 1416 S N 2.683 118.398 115.700 0.025 0.000 2.419 1416 S HA -0.139 4.425 4.470 0.156 0.000 0.233 1416 S C 2.061 176.690 174.600 0.048 0.000 1.016 1416 S CA 1.371 59.586 58.200 0.025 0.000 0.974 1416 S CB -1.001 62.211 63.200 0.019 0.000 0.786 1416 S HN 0.983 nan 8.310 nan 0.000 0.492 1417 S N 1.517 117.248 115.700 0.052 0.000 2.440 1417 S HA 0.232 4.796 4.470 0.156 0.000 0.240 1417 S C 1.524 176.175 174.600 0.085 0.000 1.014 1417 S CA 1.101 59.334 58.200 0.055 0.000 0.980 1417 S CB -1.431 61.792 63.200 0.038 0.000 0.775 1417 S HN 1.734 nan 8.310 nan 0.000 0.499 1418 G N 0.431 109.320 108.800 0.147 0.000 2.499 1418 G HA2 -0.187 3.867 3.960 0.156 0.000 0.232 1418 G HA3 -0.187 3.867 3.960 0.156 0.000 0.232 1418 G C -0.078 174.877 174.900 0.092 0.000 1.251 1418 G CA -0.107 45.180 45.100 0.312 0.000 0.917 1418 G HN 1.028 nan 8.290 nan 0.000 0.580 1419 S N -0.462 115.159 115.700 -0.132 0.000 2.608 1419 S HA 0.612 5.176 4.470 0.156 0.000 0.261 1419 S C 1.124 175.596 174.600 -0.214 0.000 1.314 1419 S CA 0.836 58.765 58.200 -0.452 0.000 0.992 1419 S CB 0.456 63.424 63.200 -0.387 0.000 0.935 1419 S HN 2.098 nan 8.310 nan 0.000 0.564 1420 S N 1.367 116.931 115.700 -0.228 0.000 2.745 1420 S HA 0.341 4.905 4.470 0.156 0.000 0.292 1420 S C 0.062 174.589 174.600 -0.122 0.000 1.127 1420 S CA -0.695 57.402 58.200 -0.172 0.000 1.007 1420 S CB 0.167 63.267 63.200 -0.166 0.000 1.165 1420 S HN 0.912 nan 8.310 nan 0.000 0.544 1421 H N 0.688 119.593 119.070 -0.275 0.000 3.223 1421 H HA 0.229 4.879 4.556 0.157 0.000 0.287 1421 H C -0.212 175.089 175.328 -0.046 0.000 0.910 1421 H CA 0.602 56.541 56.048 -0.181 0.000 1.406 1421 H CB -0.413 29.132 29.762 -0.362 0.000 1.377 1421 H HN 0.853 nan 8.280 nan 0.000 0.556 1422 A N 5.278 128.019 122.820 -0.132 0.000 2.572 1422 A HA 0.496 4.909 4.320 0.156 0.000 0.295 1422 A C -0.615 176.939 177.584 -0.050 0.000 1.072 1422 A CA -0.210 51.738 52.037 -0.149 0.000 0.691 1422 A CB 1.603 20.556 19.000 -0.079 0.000 1.291 1422 A HN 0.714 nan 8.150 nan 0.000 0.404 1423 V N -0.533 119.377 119.914 -0.006 0.000 2.850 1423 V HA 0.878 5.092 4.120 0.156 0.000 0.315 1423 V C -0.294 175.771 176.094 -0.048 0.000 1.064 1423 V CA -0.911 61.408 62.300 0.033 0.000 0.979 1423 V CB 1.589 33.491 31.823 0.132 0.000 1.039 1423 V HN 0.845 nan 8.190 nan 0.000 0.452 1424 M N 3.276 122.867 119.600 -0.014 0.000 2.321 1424 M HA 0.508 5.081 4.480 0.156 0.000 0.315 1424 M C -1.239 175.041 176.300 -0.033 0.000 1.052 1424 M CA -0.282 55.017 55.300 -0.003 0.000 0.936 1424 M CB 1.897 34.592 32.600 0.159 0.000 1.639 1424 M HN 0.864 nan 8.290 nan 0.000 0.433 1425 D N 5.073 125.436 120.400 -0.062 0.000 2.462 1425 D HA 0.442 5.176 4.640 0.156 0.000 0.245 1425 D C -1.430 174.939 176.300 0.114 0.000 1.122 1425 D CA -0.253 53.710 54.000 -0.061 0.000 0.864 1425 D CB 1.227 41.875 40.800 -0.254 0.000 1.098 1425 D HN 0.605 nan 8.370 nan 0.000 0.541 1426 I N 2.305 122.967 120.570 0.153 0.000 2.362 1426 I HA 0.139 4.403 4.170 0.156 0.000 0.289 1426 I C 0.605 176.865 176.117 0.238 0.000 0.994 1426 I CA -0.738 60.678 61.300 0.193 0.000 1.158 1426 I CB 1.753 39.815 38.000 0.103 0.000 1.315 1426 I HN 0.169 nan 8.210 nan 0.000 0.451 1427 S N 7.079 122.943 115.700 0.272 0.000 2.562 1427 S HA 0.598 5.162 4.470 0.156 0.000 0.275 1427 S C -0.498 174.235 174.600 0.222 0.000 1.281 1427 S CA -0.513 57.795 58.200 0.181 0.000 1.045 1427 S CB 0.528 63.880 63.200 0.253 0.000 0.962 1427 S HN 0.433 nan 8.310 nan 0.000 0.503 1428 L N 5.845 127.122 121.223 0.090 0.000 2.305 1428 L HA 0.444 4.878 4.340 0.156 0.000 0.284 1428 L C -2.181 174.739 176.870 0.083 0.000 1.013 1428 L CA -2.367 52.553 54.840 0.134 0.000 0.819 1428 L CB 1.504 43.626 42.059 0.104 0.000 1.227 1428 L HN 0.501 nan 8.230 nan 0.000 0.417 1429 P HA -0.057 nan 4.420 nan 0.000 0.263 1429 P C -0.332 177.006 177.300 0.064 0.000 1.168 1429 P CA 0.035 63.154 63.100 0.031 0.000 0.759 1429 P CB 0.140 31.810 31.700 -0.050 0.000 0.782 1430 T N 2.644 117.252 114.554 0.090 0.000 2.709 1430 T HA 0.238 4.682 4.350 0.156 0.000 0.269 1430 T C 1.006 175.833 174.700 0.211 0.000 1.008 1430 T CA 1.154 63.339 62.100 0.142 0.000 1.194 1430 T CB -0.966 67.985 68.868 0.138 0.000 0.986 1430 T HN 0.900 nan 8.240 nan 0.000 0.508 1431 G N 3.748 112.660 108.800 0.186 0.000 2.540 1431 G HA2 -0.127 3.927 3.960 0.156 0.000 0.260 1431 G HA3 -0.127 3.927 3.960 0.156 0.000 0.260 1431 G C 0.033 174.946 174.900 0.022 0.000 0.993 1431 G CA -0.645 44.487 45.100 0.053 0.000 1.327 1431 G HN 0.793 nan 8.290 nan 0.000 0.485 1432 I N 0.727 121.302 120.570 0.009 0.000 2.788 1432 I HA 0.075 4.339 4.170 0.156 0.000 0.322 1432 I C 1.053 177.170 176.117 0.001 0.000 1.494 1432 I CA -0.494 60.809 61.300 0.005 0.000 0.814 1432 I CB -0.092 37.898 38.000 -0.017 0.000 1.795 1432 I HN 0.379 nan 8.210 nan 0.000 0.607 1433 S N 2.573 118.311 115.700 0.063 0.000 2.777 1433 S HA 0.119 4.683 4.470 0.156 0.000 0.333 1433 S C 0.685 175.213 174.600 -0.120 0.000 1.226 1433 S CA 0.809 59.079 58.200 0.116 0.000 1.011 1433 S CB 0.459 63.911 63.200 0.421 0.000 0.697 1433 S HN 0.621 nan 8.310 nan 0.000 0.481 1434 A N 2.890 125.697 122.820 -0.021 0.000 2.322 1434 A HA 0.584 4.998 4.320 0.156 0.000 0.327 1434 A C 0.270 177.819 177.584 -0.058 0.000 1.134 1434 A CA -0.773 51.255 52.037 -0.016 0.000 0.831 1434 A CB 0.477 19.731 19.000 0.424 0.000 1.288 1434 A HN 0.707 nan 8.150 nan 0.000 0.472 1435 N N 0.715 119.402 118.700 -0.021 0.000 2.744 1435 N HA -0.014 4.820 4.740 0.156 0.000 0.290 1435 N C 0.994 176.556 175.510 0.087 0.000 1.206 1435 N CA 0.244 53.286 53.050 -0.012 0.000 1.119 1435 N CB 0.344 38.812 38.487 -0.031 0.000 1.449 1435 N HN 0.783 nan 8.380 nan 0.000 0.514 1436 E N 1.887 122.189 120.200 0.170 0.000 2.172 1436 E HA -0.273 4.171 4.350 0.156 0.000 0.213 1436 E C 0.897 177.522 176.600 0.041 0.000 1.051 1436 E CA 1.864 58.367 56.400 0.173 0.000 0.860 1436 E CB 0.220 30.079 29.700 0.264 0.000 0.755 1436 E HN 0.553 nan 8.360 nan 0.000 0.462 1437 E N -0.093 120.140 120.200 0.055 0.000 2.274 1437 E HA -0.138 4.306 4.350 0.156 0.000 0.194 1437 E C 1.582 178.142 176.600 -0.068 0.000 0.996 1437 E CA 0.878 57.271 56.400 -0.012 0.000 0.840 1437 E CB -0.177 29.538 29.700 0.025 0.000 0.772 1437 E HN 0.379 nan 8.360 nan 0.000 0.491 1438 D N 1.235 121.610 120.400 -0.042 0.000 2.117 1438 D HA -0.080 4.654 4.640 0.156 0.000 0.197 1438 D C 2.184 178.407 176.300 -0.128 0.000 0.987 1438 D CA 0.778 54.753 54.000 -0.040 0.000 0.829 1438 D CB -0.007 40.819 40.800 0.044 0.000 0.961 1438 D HN 0.175 nan 8.370 nan 0.000 0.460 1439 L N 0.577 121.644 121.223 -0.259 0.000 2.023 1439 L HA -0.084 4.350 4.340 0.156 0.000 0.205 1439 L C 2.350 178.888 176.870 -0.554 0.000 1.073 1439 L CA 0.735 55.303 54.840 -0.454 0.000 0.745 1439 L CB -0.453 41.243 42.059 -0.604 0.000 0.900 1439 L HN -0.167 nan 8.230 nan 0.000 0.435 1440 K N 0.688 120.642 120.400 -0.743 0.000 2.259 1440 K HA -0.252 4.162 4.320 0.156 0.000 0.206 1440 K C 2.064 178.527 176.600 -0.229 0.000 1.044 1440 K CA 1.670 57.660 56.287 -0.496 0.000 0.931 1440 K CB -0.607 31.702 32.500 -0.318 0.000 0.726 1440 K HN 0.406 nan 8.250 nan 0.000 0.467 1441 A N 1.240 123.955 122.820 -0.175 0.000 1.855 1441 A HA -0.104 4.310 4.320 0.156 0.000 0.215 1441 A C 2.383 179.943 177.584 -0.040 0.000 1.191 1441 A CA 1.092 53.084 52.037 -0.075 0.000 0.613 1441 A CB -0.625 18.346 19.000 -0.049 0.000 0.829 1441 A HN 0.177 nan 8.150 nan 0.000 0.442 1442 L N -0.170 121.026 121.223 -0.046 0.000 1.990 1442 L HA -0.223 4.211 4.340 0.156 0.000 0.213 1442 L C 2.726 179.624 176.870 0.046 0.000 1.072 1442 L CA 1.965 56.831 54.840 0.043 0.000 0.755 1442 L CB -0.779 41.318 42.059 0.064 0.000 0.889 1442 L HN 0.462 nan 8.230 nan 0.000 0.432 1443 V N -1.970 117.928 119.914 -0.026 0.000 2.446 1443 V HA -0.134 4.080 4.120 0.156 0.000 0.244 1443 V C 1.908 177.988 176.094 -0.024 0.000 1.039 1443 V CA 1.397 63.687 62.300 -0.018 0.000 1.045 1443 V CB -0.458 31.342 31.823 -0.038 0.000 0.681 1443 V HN 0.466 nan 8.190 nan 0.000 0.459 1444 E N 0.963 121.140 120.200 -0.037 0.000 2.482 1444 E HA 0.231 4.675 4.350 0.156 0.000 0.200 1444 E C 0.741 177.345 176.600 0.008 0.000 1.147 1444 E CA 0.446 56.838 56.400 -0.013 0.000 0.912 1444 E CB -0.693 28.995 29.700 -0.021 0.000 0.938 1444 E HN 0.835 nan 8.360 nan 0.000 0.519 1445 G N -1.663 107.140 108.800 0.005 0.000 2.642 1445 G HA2 0.250 4.303 3.960 0.156 0.000 0.293 1445 G HA3 0.250 4.303 3.960 0.156 0.000 0.293 1445 G C 0.411 175.296 174.900 -0.025 0.000 1.341 1445 G CA -0.693 44.414 45.100 0.011 0.000 0.916 1445 G HN 0.003 nan 8.290 nan 0.000 0.474 1446 V N 0.600 120.481 119.914 -0.055 0.000 3.241 1446 V HA -0.049 4.165 4.120 0.156 0.000 0.269 1446 V C 1.575 177.535 176.094 -0.223 0.000 1.151 1446 V CA 1.911 64.138 62.300 -0.123 0.000 1.158 1446 V CB -0.492 31.245 31.823 -0.145 0.000 0.764 1446 V HN 0.806 nan 8.190 nan 0.000 0.508 1447 D N 0.532 120.811 120.400 -0.202 0.000 2.561 1447 D HA -0.023 4.711 4.640 0.156 0.000 0.232 1447 D C 0.823 177.089 176.300 -0.057 0.000 1.198 1447 D CA -0.483 53.421 54.000 -0.161 0.000 0.826 1447 D CB -0.558 40.218 40.800 -0.041 0.000 0.992 1447 D HN 0.652 nan 8.370 nan 0.000 0.490 1448 Q N 0.274 120.039 119.800 -0.058 0.000 2.283 1448 Q HA 0.025 4.458 4.340 0.156 0.000 0.269 1448 Q C 0.672 176.634 176.000 -0.063 0.000 1.187 1448 Q CA -0.396 55.386 55.803 -0.036 0.000 0.922 1448 Q CB 1.104 29.819 28.738 -0.038 0.000 1.323 1448 Q HN 0.223 nan 8.270 nan 0.000 0.432 1449 L N 3.308 124.502 121.223 -0.048 0.000 2.209 1449 L HA 0.285 4.719 4.340 0.156 0.000 0.207 1449 L C -0.557 176.027 176.870 -0.478 0.000 1.094 1449 L CA 1.403 56.128 54.840 -0.192 0.000 0.790 1449 L CB 0.089 42.100 42.059 -0.079 0.000 0.932 1449 L HN 0.646 nan 8.230 nan 0.000 0.447 1450 F N -1.577 118.320 119.950 -0.090 0.000 2.746 1450 F HA 0.503 5.124 4.527 0.156 0.000 0.378 1450 F C 1.359 177.022 175.800 -0.229 0.000 1.165 1450 F CA 0.109 58.023 58.000 -0.142 0.000 1.089 1450 F CB 1.169 40.096 39.000 -0.123 0.000 1.439 1450 F HN -0.191 nan 8.300 nan 0.000 0.516 1451 T N -4.582 109.882 114.554 -0.151 0.000 3.147 1451 T HA 0.231 4.675 4.350 0.156 0.000 0.275 1451 T C -0.738 173.634 174.700 -0.547 0.000 0.879 1451 T CA -0.071 61.732 62.100 -0.495 0.000 0.863 1451 T CB 0.374 68.547 68.868 -1.159 0.000 1.236 1451 T HN 0.497 nan 8.240 nan 0.000 0.582 1452 D N 0.464 120.657 120.400 -0.346 0.000 2.937 1452 D HA 0.365 5.099 4.640 0.156 0.000 0.215 1452 D C -1.772 174.514 176.300 -0.024 0.000 1.274 1452 D CA -0.378 53.515 54.000 -0.179 0.000 0.869 1452 D CB 2.600 43.237 40.800 -0.272 0.000 1.675 1452 D HN 0.321 nan 8.370 nan 0.000 0.538 1453 Y N 1.126 121.335 120.300 -0.152 0.000 2.562 1453 Y HA 0.675 5.319 4.550 0.156 0.000 0.343 1453 Y C -1.311 174.527 175.900 -0.103 0.000 1.025 1453 Y CA -0.775 57.225 58.100 -0.167 0.000 1.082 1453 Y CB 1.351 39.688 38.460 -0.207 0.000 1.264 1453 Y HN 0.344 nan 8.280 nan 0.000 0.478 1454 Q N 2.494 121.996 119.800 -0.497 0.000 2.613 1454 Q HA 0.380 4.814 4.340 0.156 0.000 0.231 1454 Q C -2.299 173.550 176.000 -0.250 0.000 0.879 1454 Q CA -0.630 54.851 55.803 -0.536 0.000 1.083 1454 Q CB 0.625 29.177 28.738 -0.310 0.000 1.588 1454 Q HN 0.691 nan 8.270 nan 0.000 0.500 1455 I N 2.581 123.030 120.570 -0.203 0.000 2.308 1455 I HA 0.299 4.563 4.170 0.156 0.000 0.293 1455 I C -0.081 176.009 176.117 -0.046 0.000 1.078 1455 I CA 0.265 61.524 61.300 -0.068 0.000 1.292 1455 I CB 0.698 38.694 38.000 -0.007 0.000 1.423 1455 I HN 0.498 nan 8.210 nan 0.000 0.493 1456 K N 4.770 125.165 120.400 -0.008 0.000 2.203 1456 K HA 0.250 4.663 4.320 0.156 0.000 0.251 1456 K C -0.503 176.112 176.600 0.025 0.000 0.944 1456 K CA -0.725 55.556 56.287 -0.010 0.000 0.829 1456 K CB 1.073 33.570 32.500 -0.006 0.000 1.125 1456 K HN 0.466 nan 8.250 nan 0.000 0.430 1457 D N 2.726 123.062 120.400 -0.108 0.000 3.172 1457 D HA -0.213 4.521 4.640 0.156 0.000 0.196 1457 D C 0.610 176.940 176.300 0.049 0.000 1.270 1457 D CA 1.794 55.625 54.000 -0.281 0.000 0.665 1457 D CB -0.955 39.559 40.800 -0.476 0.000 0.923 1457 D HN 0.992 nan 8.370 nan 0.000 0.400 1458 G N 0.766 109.572 108.800 0.009 0.000 2.143 1458 G HA2 -0.274 3.780 3.960 0.156 0.000 0.248 1458 G HA3 -0.274 3.780 3.960 0.156 0.000 0.248 1458 G C 0.010 174.724 174.900 -0.309 0.000 0.991 1458 G CA 0.246 45.302 45.100 -0.073 0.000 0.689 1458 G HN 0.749 nan 8.290 nan 0.000 0.522 1459 H N -1.416 117.688 119.070 0.057 0.000 2.771 1459 H HA 0.456 5.105 4.556 0.156 0.000 0.361 1459 H C -0.795 174.523 175.328 -0.017 0.000 1.108 1459 H CA -0.694 55.378 56.048 0.040 0.000 1.201 1459 H CB 2.308 32.091 29.762 0.035 0.000 1.681 1459 H HN 0.071 nan 8.280 nan 0.000 0.534 1460 V N 5.238 125.193 119.914 0.069 0.000 2.385 1460 V HA 0.199 4.413 4.120 0.156 0.000 0.269 1460 V C 0.276 176.323 176.094 -0.079 0.000 1.043 1460 V CA -0.110 62.138 62.300 -0.086 0.000 0.906 1460 V CB 0.357 32.002 31.823 -0.297 0.000 0.995 1460 V HN 0.493 nan 8.190 nan 0.000 0.467 1461 I N 7.034 127.549 120.570 -0.091 0.000 2.420 1461 I HA 0.405 4.669 4.170 0.156 0.000 0.282 1461 I C -0.574 175.486 176.117 -0.094 0.000 1.019 1461 I CA -0.155 61.098 61.300 -0.077 0.000 1.130 1461 I CB 1.377 39.351 38.000 -0.044 0.000 1.262 1461 I HN 0.352 nan 8.210 nan 0.000 0.454 1462 L N 6.583 127.745 121.223 -0.102 0.000 2.307 1462 L HA 0.492 4.926 4.340 0.156 0.000 0.284 1462 L C -0.204 176.683 176.870 0.029 0.000 1.023 1462 L CA -0.415 54.368 54.840 -0.094 0.000 0.810 1462 L CB 1.623 43.501 42.059 -0.302 0.000 1.231 1462 L HN 0.544 nan 8.230 nan 0.000 0.423 1463 Q N 3.238 123.050 119.800 0.020 0.000 2.257 1463 Q HA 0.810 5.243 4.340 0.156 0.000 0.262 1463 Q C -1.295 174.704 176.000 -0.001 0.000 0.997 1463 Q CA -0.749 55.077 55.803 0.038 0.000 0.873 1463 Q CB 2.375 31.129 28.738 0.026 0.000 1.312 1463 Q HN 0.375 nan 8.270 nan 0.000 0.450 1464 L N -1.782 119.488 121.223 0.078 0.000 3.079 1464 L HA 0.327 4.761 4.340 0.156 0.000 0.278 1464 L C -0.258 176.755 176.870 0.238 0.000 1.026 1464 L CA -0.698 54.145 54.840 0.005 0.000 0.963 1464 L CB 0.249 42.255 42.059 -0.088 0.000 1.526 1464 L HN 0.546 nan 8.230 nan 0.000 0.397 1465 N N -0.536 118.292 118.700 0.215 0.000 2.290 1465 N HA 0.023 4.857 4.740 0.156 0.000 0.179 1465 N C 0.270 175.828 175.510 0.079 0.000 1.016 1465 N CA 1.124 54.321 53.050 0.245 0.000 0.871 1465 N CB 0.519 39.151 38.487 0.241 0.000 0.987 1465 N HN 0.657 nan 8.380 nan 0.000 0.431 1466 S N -0.404 115.315 115.700 0.031 0.000 2.607 1466 S HA 0.588 5.152 4.470 0.156 0.000 0.273 1466 S C -1.429 173.177 174.600 0.010 0.000 1.148 1466 S CA -0.708 57.493 58.200 0.002 0.000 0.833 1466 S CB 1.349 64.549 63.200 0.000 0.000 1.130 1466 S HN 0.061 nan 8.310 nan 0.000 0.470 1467 I N 2.464 123.067 120.570 0.055 0.000 2.931 1467 I HA 0.284 4.548 4.170 0.156 0.000 0.322 1467 I C -2.530 173.684 176.117 0.162 0.000 1.446 1467 I CA -1.820 59.553 61.300 0.123 0.000 0.825 1467 I CB 1.134 39.285 38.000 0.250 0.000 2.195 1467 I HN 0.348 nan 8.210 nan 0.000 0.608 1468 P HA -0.057 nan 4.420 nan 0.000 0.271 1468 P C 0.471 177.838 177.300 0.111 0.000 1.197 1468 P CA 0.723 63.886 63.100 0.106 0.000 0.777 1468 P CB 0.565 32.304 31.700 0.065 0.000 0.827 1469 S N -0.834 114.922 115.700 0.093 0.000 2.578 1469 S HA 0.011 4.574 4.470 0.156 0.000 0.231 1469 S C 1.516 176.136 174.600 0.034 0.000 0.994 1469 S CA 0.042 58.273 58.200 0.052 0.000 0.956 1469 S CB -0.292 62.917 63.200 0.016 0.000 0.870 1469 S HN 0.501 nan 8.310 nan 0.000 0.494 1470 S N 2.477 118.206 115.700 0.049 0.000 2.383 1470 S HA -0.033 4.531 4.470 0.156 0.000 0.227 1470 S C 0.688 175.328 174.600 0.066 0.000 1.026 1470 S CA 1.120 59.350 58.200 0.049 0.000 0.981 1470 S CB -0.355 62.875 63.200 0.050 0.000 0.818 1470 S HN 0.708 nan 8.310 nan 0.000 0.472 1471 D N -0.918 119.536 120.400 0.089 0.000 3.057 1471 D HA 0.464 5.198 4.640 0.156 0.000 0.328 1471 D C -0.611 175.798 176.300 0.182 0.000 1.317 1471 D CA -0.981 53.119 54.000 0.166 0.000 0.973 1471 D CB -0.439 40.467 40.800 0.176 0.000 1.424 1471 D HN 0.051 nan 8.370 nan 0.000 0.569 1472 F N -0.713 119.286 119.950 0.081 0.000 2.234 1472 F HA 0.581 5.202 4.527 0.156 0.000 0.292 1472 F C 0.319 176.174 175.800 0.091 0.000 1.187 1472 F CA -0.650 57.416 58.000 0.110 0.000 1.128 1472 F CB 0.391 39.454 39.000 0.106 0.000 1.507 1472 F HN 0.326 nan 8.300 nan 0.000 0.512 1473 L N 0.840 122.261 121.223 0.329 0.000 2.528 1473 L HA 0.501 4.934 4.340 0.156 0.000 0.267 1473 L C -1.866 175.140 176.870 0.226 0.000 0.961 1473 L CA -0.045 54.905 54.840 0.183 0.000 0.866 1473 L CB 1.195 43.297 42.059 0.072 0.000 1.248 1473 L HN 0.560 nan 8.230 nan 0.000 0.404 1474 c N 4.155 122.868 118.600 0.190 0.000 2.379 1474 c HA 0.670 5.333 4.570 0.156 0.000 0.323 1474 c C 0.185 174.430 174.090 0.257 0.000 1.262 1474 c CA -0.653 55.798 56.329 0.204 0.000 1.581 1474 c CB 1.750 44.336 42.510 0.127 0.000 2.221 1474 c HN 0.651 nan 8.230 nan 0.000 0.497 1475 V N 5.905 125.997 119.914 0.297 0.000 2.904 1475 V HA 0.777 4.991 4.120 0.156 0.000 0.305 1475 V C -0.608 175.567 176.094 0.135 0.000 1.067 1475 V CA -0.208 62.239 62.300 0.247 0.000 1.044 1475 V CB 1.302 33.124 31.823 -0.001 0.000 1.050 1475 V HN 0.963 nan 8.190 nan 0.000 0.475 1476 R N 5.443 126.023 120.500 0.133 0.000 2.584 1476 R HA 0.562 4.996 4.340 0.156 0.000 0.276 1476 R C -1.586 174.839 176.300 0.209 0.000 1.046 1476 R CA -0.423 55.753 56.100 0.128 0.000 0.906 1476 R CB 1.382 31.711 30.300 0.048 0.000 1.215 1476 R HN 0.817 nan 8.270 nan 0.000 0.449 1477 F N -0.996 118.886 119.950 -0.115 0.000 2.693 1477 F HA 0.683 5.304 4.527 0.157 0.000 0.309 1477 F C -1.156 174.555 175.800 -0.148 0.000 1.129 1477 F CA -1.452 56.469 58.000 -0.132 0.000 0.948 1477 F CB 1.656 40.565 39.000 -0.152 0.000 1.315 1477 F HN 0.387 nan 8.300 nan 0.000 0.447 1478 R N 2.278 122.638 120.500 -0.234 0.000 2.828 1478 R HA 0.888 5.322 4.340 0.156 0.000 0.264 1478 R C -1.056 174.946 176.300 -0.498 0.000 1.022 1478 R CA -1.155 54.736 56.100 -0.348 0.000 1.021 1478 R CB 2.465 32.656 30.300 -0.182 0.000 1.163 1478 R HN 0.874 nan 8.270 nan 0.000 0.494 1479 I N -1.788 118.464 120.570 -0.529 0.000 2.827 1479 I HA 0.543 4.807 4.170 0.156 0.000 0.298 1479 I C -1.315 174.532 176.117 -0.450 0.000 1.235 1479 I CA -1.259 59.637 61.300 -0.673 0.000 1.021 1479 I CB 2.140 39.868 38.000 -0.452 0.000 1.259 1479 I HN 0.461 nan 8.210 nan 0.000 0.427 1480 F N 1.100 121.029 119.950 -0.035 0.000 2.610 1480 F HA 0.534 5.155 4.527 0.156 0.000 0.355 1480 F C -0.008 175.807 175.800 0.024 0.000 1.140 1480 F CA -1.354 56.682 58.000 0.061 0.000 1.037 1480 F CB 0.442 39.363 39.000 -0.133 0.000 1.287 1480 F HN 0.502 nan 8.300 nan 0.000 0.457 1481 E N 3.876 124.229 120.200 0.255 0.000 2.918 1481 E HA -0.134 4.310 4.350 0.156 0.000 0.232 1481 E C 1.234 177.914 176.600 0.132 0.000 1.073 1481 E CA 0.204 56.698 56.400 0.155 0.000 0.949 1481 E CB 0.679 30.467 29.700 0.147 0.000 0.937 1481 E HN 0.923 nan 8.360 nan 0.000 0.536 1482 L N 5.226 126.465 121.223 0.026 0.000 2.362 1482 L HA -0.065 4.369 4.340 0.156 0.000 0.219 1482 L C 0.031 176.806 176.870 -0.159 0.000 1.134 1482 L CA 0.869 55.645 54.840 -0.107 0.000 0.807 1482 L CB 0.065 41.991 42.059 -0.222 0.000 0.927 1482 L HN 0.453 nan 8.230 nan 0.000 0.447 1483 F N -2.467 117.525 119.950 0.069 0.000 3.250 1483 F HA 0.505 5.126 4.527 0.156 0.000 0.326 1483 F C -1.193 174.623 175.800 0.026 0.000 1.154 1483 F CA -2.375 55.646 58.000 0.034 0.000 0.870 1483 F CB 0.139 39.154 39.000 0.024 0.000 1.476 1483 F HN -0.355 nan 8.300 nan 0.000 0.491 1484 E N 1.602 121.974 120.200 0.286 0.000 2.089 1484 E HA 0.551 4.995 4.350 0.156 0.000 0.284 1484 E C -0.642 175.958 176.600 0.000 0.000 1.023 1484 E CA -0.523 55.932 56.400 0.092 0.000 0.819 1484 E CB 1.299 31.007 29.700 0.014 0.000 1.076 1484 E HN 0.707 nan 8.360 nan 0.000 0.396 1485 V N 1.043 120.987 119.914 0.050 0.000 2.417 1485 V HA 0.790 5.004 4.120 0.156 0.000 0.291 1485 V C 0.980 177.064 176.094 -0.016 0.000 1.024 1485 V CA -0.760 61.555 62.300 0.025 0.000 0.861 1485 V CB 1.355 33.246 31.823 0.114 0.000 0.985 1485 V HN 0.623 nan 8.190 nan 0.000 0.436 1486 G N 3.712 112.497 108.800 -0.025 0.000 2.421 1486 G HA2 0.183 4.237 3.960 0.156 0.000 0.238 1486 G HA3 0.183 4.237 3.960 0.156 0.000 0.238 1486 G C -0.005 174.850 174.900 -0.075 0.000 1.544 1486 G CA -0.665 44.361 45.100 -0.124 0.000 1.044 1486 G HN 0.865 nan 8.290 nan 0.000 0.537 1487 F N 0.735 120.668 119.950 -0.028 0.000 2.538 1487 F HA 0.328 4.948 4.527 0.156 0.000 0.382 1487 F C 0.437 176.218 175.800 -0.033 0.000 1.069 1487 F CA -1.148 56.833 58.000 -0.032 0.000 1.138 1487 F CB -0.282 38.698 39.000 -0.033 0.000 1.068 1487 F HN 0.178 nan 8.300 nan 0.000 0.556 1488 L N 1.968 123.273 121.223 0.138 0.000 2.307 1488 L HA 0.599 5.032 4.340 0.156 0.000 0.282 1488 L C 0.029 176.918 176.870 0.032 0.000 1.051 1488 L CA -1.216 53.670 54.840 0.076 0.000 0.804 1488 L CB 1.227 43.308 42.059 0.036 0.000 1.197 1488 L HN 0.540 nan 8.230 nan 0.000 0.431 1489 S N 2.867 118.576 115.700 0.015 0.000 2.452 1489 S HA 0.707 5.271 4.470 0.156 0.000 0.284 1489 S C -2.263 172.330 174.600 -0.013 0.000 1.171 1489 S CA -1.034 57.149 58.200 -0.028 0.000 1.064 1489 S CB 0.248 63.428 63.200 -0.033 0.000 0.967 1489 S HN 0.711 nan 8.310 nan 0.000 0.484 1490 P HA 0.192 nan 4.420 nan 0.000 0.271 1490 P C 0.134 177.542 177.300 0.179 0.000 1.228 1490 P CA -0.111 62.996 63.100 0.012 0.000 0.797 1490 P CB 0.219 31.930 31.700 0.019 0.000 0.914 1491 A N 0.828 123.813 122.820 0.274 0.000 3.033 1491 A HA 0.733 5.147 4.320 0.156 0.000 0.223 1491 A C -0.208 177.767 177.584 0.652 0.000 1.797 1491 A CA 0.278 52.587 52.037 0.453 0.000 0.856 1491 A CB -0.184 19.095 19.000 0.465 0.000 1.798 1491 A HN 0.588 nan 8.150 nan 0.000 0.629 1492 T N -2.841 112.004 114.554 0.486 0.000 3.335 1492 T HA 0.460 4.903 4.350 0.156 0.000 0.321 1492 T C -1.161 173.596 174.700 0.095 0.000 0.960 1492 T CA -0.157 62.088 62.100 0.241 0.000 1.034 1492 T CB 0.481 69.420 68.868 0.119 0.000 1.040 1492 T HN 0.856 nan 8.240 nan 0.000 0.454 1493 F N 3.709 123.507 119.950 -0.254 0.000 2.390 1493 F HA 0.660 5.281 4.527 0.156 0.000 0.361 1493 F C 0.101 175.785 175.800 -0.192 0.000 1.124 1493 F CA -0.515 57.311 58.000 -0.290 0.000 1.149 1493 F CB 0.941 39.690 39.000 -0.418 0.000 1.160 1493 F HN 0.760 nan 8.300 nan 0.000 0.501 1494 T N 5.432 119.714 114.554 -0.454 0.000 2.885 1494 T HA 0.686 5.130 4.350 0.156 0.000 0.285 1494 T C -1.652 172.587 174.700 -0.769 0.000 1.019 1494 T CA -0.638 61.085 62.100 -0.628 0.000 1.010 1494 T CB 1.314 69.944 68.868 -0.397 0.000 1.022 1494 T HN 0.596 nan 8.240 nan 0.000 0.466 1495 V N 7.208 126.696 119.914 -0.711 0.000 2.577 1495 V HA 0.671 4.885 4.120 0.156 0.000 0.294 1495 V C -1.950 173.821 176.094 -0.539 0.000 1.052 1495 V CA -0.617 61.282 62.300 -0.667 0.000 0.891 1495 V CB 1.096 32.473 31.823 -0.743 0.000 1.017 1495 V HN 0.895 nan 8.190 nan 0.000 0.436 1496 Y N 2.525 122.580 120.300 -0.409 0.000 2.545 1496 Y HA 0.730 5.374 4.550 0.156 0.000 0.348 1496 Y C -0.521 175.275 175.900 -0.173 0.000 1.002 1496 Y CA -2.687 55.291 58.100 -0.204 0.000 1.039 1496 Y CB 1.350 39.747 38.460 -0.105 0.000 1.271 1496 Y HN 0.668 nan 8.280 nan 0.000 0.467 1497 E N 2.048 122.359 120.200 0.184 0.000 2.223 1497 E HA 0.087 4.531 4.350 0.156 0.000 0.282 1497 E C 0.027 176.527 176.600 -0.166 0.000 1.046 1497 E CA -0.310 56.100 56.400 0.016 0.000 0.857 1497 E CB 0.453 30.172 29.700 0.032 0.000 1.055 1497 E HN 0.727 nan 8.360 nan 0.000 0.409 1498 Y N 4.417 124.461 120.300 -0.426 0.000 2.069 1498 Y HA -0.330 4.313 4.550 0.156 0.000 0.278 1498 Y C 1.416 177.081 175.900 -0.392 0.000 1.175 1498 Y CA 2.478 60.242 58.100 -0.561 0.000 1.134 1498 Y CB -0.168 37.646 38.460 -1.078 0.000 0.965 1498 Y HN 0.763 nan 8.280 nan 0.000 0.498 1499 H N -0.978 117.994 119.070 -0.163 0.000 2.502 1499 H HA 0.119 4.768 4.556 0.156 0.000 0.283 1499 H C 0.122 175.336 175.328 -0.191 0.000 1.015 1499 H CA 0.601 56.556 56.048 -0.155 0.000 1.298 1499 H CB 0.147 29.906 29.762 -0.005 0.000 1.411 1499 H HN 0.172 nan 8.280 nan 0.000 0.556 1500 R N 0.184 120.618 120.500 -0.110 0.000 2.494 1500 R HA 0.219 4.653 4.340 0.156 0.000 0.284 1500 R C -2.651 173.528 176.300 -0.202 0.000 1.525 1500 R CA -1.716 54.297 56.100 -0.146 0.000 1.460 1500 R CB 0.871 31.104 30.300 -0.111 0.000 1.134 1500 R HN -0.040 nan 8.270 nan 0.000 0.592 1501 P HA -0.161 nan 4.420 nan 0.000 0.231 1501 P C -0.201 176.979 177.300 -0.200 0.000 1.154 1501 P CA 1.022 63.884 63.100 -0.397 0.000 0.762 1501 P CB 0.176 31.602 31.700 -0.457 0.000 0.790 1502 D N -0.937 119.362 120.400 -0.168 0.000 2.347 1502 D HA -0.042 4.692 4.640 0.156 0.000 0.213 1502 D C 0.953 177.229 176.300 -0.039 0.000 0.985 1502 D CA 0.793 54.718 54.000 -0.126 0.000 0.879 1502 D CB -0.002 40.706 40.800 -0.153 0.000 0.919 1502 D HN 0.111 nan 8.370 nan 0.000 0.526 1503 K N 0.767 121.181 120.400 0.023 0.000 2.577 1503 K HA 0.143 4.557 4.320 0.156 0.000 0.210 1503 K C 0.157 176.906 176.600 0.248 0.000 1.048 1503 K CA -0.159 56.200 56.287 0.120 0.000 1.188 1503 K CB -0.227 32.381 32.500 0.179 0.000 0.910 1503 K HN 0.153 nan 8.250 nan 0.000 0.483 1504 Q N 0.353 120.245 119.800 0.153 0.000 2.409 1504 Q HA 0.022 4.456 4.340 0.156 0.000 0.240 1504 Q C -0.722 175.309 176.000 0.052 0.000 1.226 1504 Q CA -0.050 55.830 55.803 0.128 0.000 0.895 1504 Q CB 0.133 28.933 28.738 0.103 0.000 1.491 1504 Q HN 0.176 nan 8.270 nan 0.000 0.509 1505 c N 4.061 122.704 118.600 0.073 0.000 2.289 1505 c HA 0.323 4.987 4.570 0.156 0.000 0.340 1505 c C 0.145 174.135 174.090 -0.168 0.000 1.152 1505 c CA -0.223 56.096 56.329 -0.017 0.000 1.650 1505 c CB -0.920 41.623 42.510 0.055 0.000 2.203 1505 c HN 0.638 nan 8.230 nan 0.000 0.511 1506 T N 7.232 121.686 114.554 -0.167 0.000 2.895 1506 T HA 0.621 5.065 4.350 0.156 0.000 0.283 1506 T C -0.491 174.082 174.700 -0.212 0.000 1.014 1506 T CA -0.407 61.547 62.100 -0.244 0.000 1.037 1506 T CB 1.508 70.246 68.868 -0.216 0.000 1.006 1506 T HN 0.806 nan 8.240 nan 0.000 0.468 1507 M N 2.849 122.311 119.600 -0.230 0.000 2.325 1507 M HA 0.448 5.022 4.480 0.156 0.000 0.285 1507 M C -1.725 174.566 176.300 -0.015 0.000 1.119 1507 M CA -0.696 54.540 55.300 -0.107 0.000 0.959 1507 M CB 1.245 33.853 32.600 0.014 0.000 1.737 1507 M HN 0.455 nan 8.290 nan 0.000 0.486 1508 F N 4.199 124.232 119.950 0.137 0.000 2.485 1508 F HA 0.478 5.099 4.527 0.156 0.000 0.327 1508 F C 0.083 176.093 175.800 0.351 0.000 1.203 1508 F CA 0.705 58.837 58.000 0.221 0.000 1.295 1508 F CB 0.388 39.488 39.000 0.167 0.000 1.191 1508 F HN 0.539 nan 8.300 nan 0.000 0.588 1509 Y N -1.992 118.511 120.300 0.339 0.000 2.732 1509 Y HA 0.520 5.164 4.550 0.156 0.000 0.342 1509 Y C -1.437 174.539 175.900 0.126 0.000 1.203 1509 Y CA -1.208 57.007 58.100 0.191 0.000 1.092 1509 Y CB 1.261 39.818 38.460 0.161 0.000 1.345 1509 Y HN 0.456 nan 8.280 nan 0.000 0.458 1510 S N 0.424 115.964 115.700 -0.266 0.000 2.536 1510 S HA 0.323 4.887 4.470 0.156 0.000 0.287 1510 S C -0.226 174.130 174.600 -0.407 0.000 1.101 1510 S CA -0.267 57.704 58.200 -0.381 0.000 0.950 1510 S CB 1.916 65.021 63.200 -0.158 0.000 1.056 1510 S HN 0.835 nan 8.310 nan 0.000 0.481 1511 T N 2.670 116.980 114.554 -0.407 0.000 3.324 1511 T HA 0.340 4.784 4.350 0.156 0.000 0.250 1511 T C -0.223 174.352 174.700 -0.207 0.000 1.059 1511 T CA 0.410 62.315 62.100 -0.324 0.000 0.951 1511 T CB -0.838 67.855 68.868 -0.291 0.000 1.030 1511 T HN 0.737 nan 8.240 nan 0.000 0.576 1512 S N -0.174 115.426 115.700 -0.167 0.000 2.542 1512 S HA 0.385 4.949 4.470 0.156 0.000 0.276 1512 S C -0.037 174.508 174.600 -0.090 0.000 1.148 1512 S CA -1.021 57.106 58.200 -0.121 0.000 0.886 1512 S CB 1.055 64.195 63.200 -0.101 0.000 1.109 1512 S HN 0.095 nan 8.310 nan 0.000 0.458 1513 N N 1.397 120.052 118.700 -0.075 0.000 2.336 1513 N HA 0.222 5.055 4.740 0.156 0.000 0.189 1513 N C 0.771 176.256 175.510 -0.043 0.000 1.113 1513 N CA 0.034 53.052 53.050 -0.054 0.000 0.858 1513 N CB -0.328 38.130 38.487 -0.049 0.000 0.970 1513 N HN 0.673 nan 8.380 nan 0.000 0.471 1514 I N 0.000 120.541 120.570 -0.048 0.000 2.984 1514 I HA 0.000 4.264 4.170 0.156 0.000 0.288 1514 I CA 0.000 61.276 61.300 -0.041 0.000 1.566 1514 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 1514 I HN 0.000 nan 8.210 nan 0.000 0.494