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_B DATA FIRST_RESID 22 DATA SEQUENCE TYVISAPKIF RVGASENIVI QVYGYTEAFD ATISIKSYPD KKFSYSSGHV DATA SEQUENCE HLSSENKFQN SAILTIQPKQ LPGGQNPVSY VYLEVVSKHF SKSKRMPITY DATA SEQUENCE DNGFLFIHTD KPVYTPDQSV KVRVYSLNDD LKPAKRETVL TFIDPEGSEV DATA SEQUENCE DMVEEIDHIG IISFPDFKIP SNPRYGMWTI KAKYKEDFST TGTAYFEVKE DATA SEQUENCE YVLPHFSVSI EPEYNFIGYK NFKNFEITIK ARYFYNKVVT EADVYITFGI DATA SEQUENCE REDLKDDQKE MMQTAMQNTM LINGIAQVTF DSETAVKELS YYSLEDLNNK DATA SEQUENCE YLYIAVTVIE STGGFSEEAE IPGIKYVLSP YKLNLVATPL FLKPGIPYPI DATA SEQUENCE KVQVKDSLDQ LVGGVPVTLN AQTIDVNQET SDLDPSKSVT RVDDGVASFV DATA SEQUENCE LNLPSGVTVL EFNVKTDAPD LPEENQAREG YRAIAYSSLS QSYLYIDWTD DATA SEQUENCE NHKALLVGEH LNIIVTPKSP YIDKITHYNY LILSKGKIIH FGTREKFSDA DATA SEQUENCE SYQSINIPVT QNMVPSSRLL VYYIVTGEQT AELVSDSVWL NIEEKcGNQL DATA SEQUENCE QVHLSPDADA YSPGQTVSLN MATGMDSWVA LAAVDSAVYG VQRGAKKPLE DATA SEQUENCE RVFQFLEKSD LGcGAGGGLN NANVFHLAGL TFLTNANADD SQENDEPcKE DATA SEQUENCE ILXXXXXLQK KIEEIAAKYK HSVVKKccYD GACVNNDETc EQRAARISLG DATA SEQUENCE PRcIKAFTEc cVVASQLRAN 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 0.000 174.799 174.700 0.164 0.000 1.109 22 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 22 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 23 Y N -0.919 119.411 120.300 0.050 0.000 2.485 23 Y HA 0.906 5.455 4.550 -0.001 0.000 0.345 23 Y C -1.384 174.552 175.900 0.060 0.000 0.998 23 Y CA -2.705 55.445 58.100 0.083 0.000 1.059 23 Y CB 0.779 39.281 38.460 0.070 0.000 1.234 23 Y HN 0.702 nan 8.280 nan 0.000 0.461 24 V N 5.206 125.255 119.914 0.224 0.000 2.588 24 V HA 0.522 4.642 4.120 -0.001 0.000 0.304 24 V C -0.883 175.229 176.094 0.029 0.000 1.042 24 V CA -0.730 61.620 62.300 0.083 0.000 0.877 24 V CB 1.959 33.889 31.823 0.179 0.000 0.996 24 V HN 0.692 nan 8.190 nan 0.000 0.425 25 I N 4.270 124.793 120.570 -0.079 0.000 2.583 25 I HA 0.323 4.493 4.170 -0.001 0.000 0.276 25 I C 0.242 176.310 176.117 -0.082 0.000 1.089 25 I CA -0.024 61.225 61.300 -0.086 0.000 1.103 25 I CB 1.614 39.521 38.000 -0.154 0.000 1.209 25 I HN 0.517 nan 8.210 nan 0.000 0.484 26 S N 3.918 119.598 115.700 -0.034 0.000 2.632 26 S HA 0.875 5.344 4.470 -0.001 0.000 0.267 26 S C 0.278 174.856 174.600 -0.036 0.000 1.276 26 S CA -0.528 57.662 58.200 -0.017 0.000 0.998 26 S CB 2.324 65.563 63.200 0.064 0.000 0.953 26 S HN 0.787 nan 8.310 nan 0.000 0.547 27 A N 1.071 123.867 122.820 -0.040 0.000 2.601 27 A HA 0.780 5.100 4.320 -0.001 0.000 0.291 27 A C -3.178 174.331 177.584 -0.124 0.000 1.075 27 A CA -1.592 50.405 52.037 -0.066 0.000 0.671 27 A CB 0.228 19.199 19.000 -0.048 0.000 1.277 27 A HN 0.523 nan 8.150 nan 0.000 0.417 28 P HA 0.063 nan 4.420 nan 0.000 0.275 28 P C 0.460 177.602 177.300 -0.262 0.000 1.262 28 P CA 0.259 63.240 63.100 -0.197 0.000 0.834 28 P CB 0.465 32.015 31.700 -0.250 0.000 1.098 29 K N -0.321 119.950 120.400 -0.214 0.000 2.361 29 K HA 0.118 4.438 4.320 -0.001 0.000 0.196 29 K C 0.326 176.733 176.600 -0.322 0.000 1.039 29 K CA 1.295 57.439 56.287 -0.238 0.000 1.001 29 K CB 0.013 32.426 32.500 -0.144 0.000 0.795 29 K HN 0.227 nan 8.250 nan 0.000 0.495 30 I N -0.785 119.556 120.570 -0.382 0.000 3.354 30 I HA 0.355 4.525 4.170 -0.001 0.000 0.316 30 I C -0.553 175.211 176.117 -0.588 0.000 1.182 30 I CA -1.038 60.013 61.300 -0.415 0.000 0.942 30 I CB 1.229 39.110 38.000 -0.198 0.000 1.299 30 I HN -0.199 nan 8.210 nan 0.000 0.473 31 F N 0.726 120.611 119.950 -0.109 0.000 2.618 31 F HA 0.693 5.219 4.527 -0.001 0.000 0.332 31 F C 0.279 176.007 175.800 -0.121 0.000 1.061 31 F CA -0.751 57.185 58.000 -0.106 0.000 0.974 31 F CB 1.828 40.758 39.000 -0.117 0.000 1.310 31 F HN 0.119 nan 8.300 nan 0.000 0.491 32 R N -0.067 120.502 120.500 0.116 0.000 2.808 32 R HA 0.669 5.008 4.340 -0.001 0.000 0.272 32 R C -1.691 174.616 176.300 0.010 0.000 0.995 32 R CA -1.112 54.994 56.100 0.011 0.000 0.917 32 R CB 2.492 32.773 30.300 -0.031 0.000 1.217 32 R HN 0.362 nan 8.270 nan 0.000 0.471 33 V N 1.492 121.431 119.914 0.041 0.000 2.555 33 V HA 0.255 4.375 4.120 -0.001 0.000 0.286 33 V C 1.211 177.467 176.094 0.271 0.000 1.044 33 V CA 0.638 63.023 62.300 0.141 0.000 1.026 33 V CB 0.937 32.931 31.823 0.285 0.000 0.981 33 V HN 1.083 nan 8.190 nan 0.000 0.480 34 G N 3.321 112.221 108.800 0.167 0.000 2.198 34 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.260 34 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.260 34 G C 0.204 175.128 174.900 0.040 0.000 1.025 34 G CA 0.124 45.324 45.100 0.166 0.000 0.769 34 G HN 1.618 nan 8.290 nan 0.000 0.507 35 A N 0.142 122.972 122.820 0.017 0.000 2.271 35 A HA 0.749 5.069 4.320 -0.001 0.000 0.317 35 A C 0.811 178.406 177.584 0.018 0.000 1.245 35 A CA 0.437 52.473 52.037 -0.002 0.000 0.857 35 A CB 0.870 19.871 19.000 0.002 0.000 1.175 35 A HN 1.115 nan 8.150 nan 0.000 0.512 36 S N 3.323 119.033 115.700 0.016 0.000 3.806 36 S HA 0.028 4.498 4.470 -0.001 0.000 0.218 36 S C 0.044 174.663 174.600 0.032 0.000 1.146 36 S CA -0.019 58.195 58.200 0.023 0.000 1.030 36 S CB -0.628 62.584 63.200 0.021 0.000 1.617 36 S HN 0.659 nan 8.310 nan 0.000 0.487 37 E N 3.007 123.238 120.200 0.052 0.000 2.383 37 E HA 0.053 4.402 4.350 -0.001 0.000 0.257 37 E C -0.223 176.409 176.600 0.053 0.000 1.079 37 E CA -0.090 56.359 56.400 0.083 0.000 0.934 37 E CB -0.010 29.801 29.700 0.185 0.000 0.978 37 E HN 0.375 nan 8.360 nan 0.000 0.462 38 N N 3.030 121.744 118.700 0.024 0.000 2.470 38 N HA 0.164 4.904 4.740 -0.001 0.000 0.268 38 N C -0.302 175.192 175.510 -0.027 0.000 1.136 38 N CA -0.036 53.005 53.050 -0.015 0.000 0.961 38 N CB 0.696 39.161 38.487 -0.037 0.000 1.067 38 N HN 0.293 nan 8.380 nan 0.000 0.468 39 I N 2.609 123.148 120.570 -0.052 0.000 2.583 39 I HA 0.109 4.279 4.170 -0.001 0.000 0.276 39 I C -0.056 175.986 176.117 -0.125 0.000 1.089 39 I CA -0.973 60.291 61.300 -0.059 0.000 1.103 39 I CB 0.602 38.602 38.000 -0.001 0.000 1.209 39 I HN 0.176 nan 8.210 nan 0.000 0.484 40 V N 5.130 124.912 119.914 -0.219 0.000 2.686 40 V HA 0.598 4.717 4.120 -0.001 0.000 0.295 40 V C -0.019 175.984 176.094 -0.151 0.000 1.055 40 V CA -0.299 61.790 62.300 -0.352 0.000 1.050 40 V CB 2.243 33.627 31.823 -0.732 0.000 0.984 40 V HN 0.619 nan 8.190 nan 0.000 0.482 41 I N 4.439 124.964 120.570 -0.075 0.000 2.533 41 I HA 0.647 4.816 4.170 -0.001 0.000 0.290 41 I C -0.774 175.429 176.117 0.144 0.000 1.056 41 I CA -0.425 60.893 61.300 0.030 0.000 1.057 41 I CB 1.593 39.598 38.000 0.009 0.000 1.240 41 I HN 1.107 nan 8.210 nan 0.000 0.423 42 Q N 7.143 127.069 119.800 0.210 0.000 2.416 42 Q HA 0.717 5.057 4.340 -0.001 0.000 0.281 42 Q C -2.400 173.780 176.000 0.300 0.000 1.067 42 Q CA -0.622 55.352 55.803 0.284 0.000 0.809 42 Q CB 3.189 32.136 28.738 0.348 0.000 1.418 42 Q HN 0.645 nan 8.270 nan 0.000 0.411 43 V N 2.690 122.793 119.914 0.315 0.000 3.098 43 V HA 0.268 4.387 4.120 -0.001 0.000 0.294 43 V C -1.796 174.432 176.094 0.223 0.000 1.351 43 V CA -0.449 62.031 62.300 0.300 0.000 0.999 43 V CB 2.257 34.270 31.823 0.317 0.000 1.104 43 V HN 0.937 nan 8.190 nan 0.000 0.438 44 Y N 3.931 124.275 120.300 0.074 0.000 2.596 44 Y HA 0.560 5.109 4.550 -0.001 0.000 0.316 44 Y C 1.158 176.960 175.900 -0.164 0.000 1.156 44 Y CA 0.260 58.374 58.100 0.024 0.000 1.300 44 Y CB -0.093 38.415 38.460 0.080 0.000 1.130 44 Y HN 0.782 nan 8.280 nan 0.000 0.518 45 G N 0.121 108.657 108.800 -0.439 0.000 2.594 45 G HA2 0.105 4.064 3.960 -0.001 0.000 0.243 45 G HA3 0.105 4.064 3.960 -0.001 0.000 0.243 45 G C -0.580 173.820 174.900 -0.834 0.000 1.229 45 G CA -0.322 44.281 45.100 -0.827 0.000 0.843 45 G HN 0.455 nan 8.290 nan 0.000 0.578 46 Y N -1.631 118.417 120.300 -0.420 0.000 2.344 46 Y HA 0.447 4.997 4.550 -0.001 0.000 0.330 46 Y C 1.976 177.857 175.900 -0.033 0.000 1.330 46 Y CA -0.388 57.586 58.100 -0.212 0.000 1.479 46 Y CB -0.520 37.847 38.460 -0.156 0.000 1.428 46 Y HN 0.430 nan 8.280 nan 0.000 0.544 47 T N -1.001 113.764 114.554 0.351 0.000 2.792 47 T HA -0.249 4.100 4.350 -0.001 0.000 0.268 47 T C 0.458 175.393 174.700 0.391 0.000 1.059 47 T CA 1.963 64.260 62.100 0.327 0.000 1.136 47 T CB -0.529 68.463 68.868 0.206 0.000 0.846 47 T HN 0.590 nan 8.240 nan 0.000 0.489 48 E N 1.802 122.257 120.200 0.426 0.000 2.341 48 E HA 0.393 4.742 4.350 -0.001 0.000 0.256 48 E C 0.096 176.990 176.600 0.491 0.000 1.125 48 E CA -0.254 56.365 56.400 0.364 0.000 0.939 48 E CB -0.248 29.669 29.700 0.362 0.000 0.991 48 E HN 0.429 nan 8.360 nan 0.000 0.458 49 A N 4.629 127.726 122.820 0.461 0.000 2.507 49 A HA 0.424 4.743 4.320 -0.001 0.000 0.235 49 A C -0.236 177.709 177.584 0.602 0.000 1.070 49 A CA 0.332 52.647 52.037 0.463 0.000 0.768 49 A CB -0.196 18.965 19.000 0.269 0.000 1.011 49 A HN 0.692 nan 8.150 nan 0.000 0.502 50 F N -1.156 118.888 119.950 0.157 0.000 2.688 50 F HA 0.570 5.096 4.527 -0.001 0.000 0.308 50 F C -1.026 174.800 175.800 0.043 0.000 1.117 50 F CA -1.362 56.732 58.000 0.156 0.000 0.976 50 F CB 0.781 39.859 39.000 0.130 0.000 1.291 50 F HN 0.429 nan 8.300 nan 0.000 0.439 51 D N 1.559 122.092 120.400 0.221 0.000 2.344 51 D HA 0.631 5.270 4.640 -0.001 0.000 0.244 51 D C -0.754 175.500 176.300 -0.077 0.000 1.134 51 D CA 0.329 54.389 54.000 0.100 0.000 0.930 51 D CB 1.744 42.639 40.800 0.159 0.000 1.175 51 D HN 0.970 nan 8.370 nan 0.000 0.437 52 A N 1.089 123.794 122.820 -0.192 0.000 2.547 52 A HA 0.460 4.779 4.320 -0.001 0.000 0.279 52 A C -0.727 176.743 177.584 -0.190 0.000 1.088 52 A CA -0.666 51.279 52.037 -0.152 0.000 0.796 52 A CB 1.029 19.935 19.000 -0.157 0.000 1.308 52 A HN 0.326 nan 8.150 nan 0.000 0.415 53 T N 3.549 118.016 114.554 -0.145 0.000 2.770 53 T HA 0.603 4.953 4.350 -0.001 0.000 0.283 53 T C 0.054 174.745 174.700 -0.015 0.000 0.988 53 T CA 0.001 62.050 62.100 -0.086 0.000 0.957 53 T CB 0.308 69.150 68.868 -0.043 0.000 0.930 53 T HN 0.491 nan 8.240 nan 0.000 0.443 54 I N 2.521 123.090 120.570 -0.001 0.000 2.793 54 I HA 0.746 4.916 4.170 -0.001 0.000 0.313 54 I C 0.407 176.540 176.117 0.026 0.000 0.998 54 I CA -0.659 60.648 61.300 0.012 0.000 1.140 54 I CB 1.883 39.888 38.000 0.007 0.000 1.327 54 I HN 0.730 nan 8.210 nan 0.000 0.491 55 S N 2.845 118.563 115.700 0.030 0.000 2.643 55 S HA 0.571 5.040 4.470 -0.001 0.000 0.266 55 S C -1.053 173.574 174.600 0.044 0.000 1.130 55 S CA -1.035 57.188 58.200 0.040 0.000 0.817 55 S CB 1.293 64.517 63.200 0.040 0.000 1.107 55 S HN 0.602 nan 8.310 nan 0.000 0.471 56 I N -0.838 119.778 120.570 0.077 0.000 2.382 56 I HA 0.692 4.861 4.170 -0.001 0.000 0.285 56 I C -0.927 175.323 176.117 0.221 0.000 1.007 56 I CA -0.663 60.703 61.300 0.111 0.000 1.142 56 I CB 1.137 39.188 38.000 0.085 0.000 1.289 56 I HN 0.521 nan 8.210 nan 0.000 0.453 57 K N 3.912 124.420 120.400 0.180 0.000 2.328 57 K HA 0.528 4.848 4.320 -0.001 0.000 0.246 57 K C -0.240 176.500 176.600 0.234 0.000 0.955 57 K CA -0.757 55.607 56.287 0.129 0.000 0.817 57 K CB 2.574 35.105 32.500 0.050 0.000 1.208 57 K HN 0.799 nan 8.250 nan 0.000 0.432 58 S N 1.335 117.140 115.700 0.175 0.000 2.565 58 S HA 0.092 4.561 4.470 -0.001 0.000 0.274 58 S C 0.792 175.475 174.600 0.137 0.000 1.309 58 S CA -0.611 57.732 58.200 0.239 0.000 1.043 58 S CB 0.389 63.728 63.200 0.232 0.000 0.939 58 S HN 0.627 nan 8.310 nan 0.000 0.504 59 Y N 3.955 124.294 120.300 0.065 0.000 1.327 59 Y HA -0.275 4.274 4.550 -0.001 0.000 0.085 59 Y C -1.393 174.182 175.900 -0.542 0.000 0.599 59 Y CA 2.374 60.454 58.100 -0.032 0.000 0.263 59 Y CB -1.975 36.526 38.460 0.068 0.000 0.530 59 Y HN 0.550 nan 8.280 nan 0.000 0.813 60 P HA 0.009 nan 4.420 nan 0.000 0.221 60 P C -0.644 176.386 177.300 -0.451 0.000 1.155 60 P CA 1.698 64.362 63.100 -0.727 0.000 0.812 60 P CB -0.210 31.166 31.700 -0.540 0.000 0.801 61 D N 0.839 121.077 120.400 -0.269 0.000 2.393 61 D HA 0.030 4.669 4.640 -0.001 0.000 0.232 61 D C -0.268 175.937 176.300 -0.158 0.000 1.192 61 D CA -0.382 53.514 54.000 -0.173 0.000 0.882 61 D CB 0.746 41.490 40.800 -0.093 0.000 1.038 61 D HN 0.043 nan 8.370 nan 0.000 0.499 62 K N 2.171 122.470 120.400 -0.167 0.000 3.387 62 K HA -0.037 4.282 4.320 -0.001 0.000 0.300 62 K C 1.119 177.667 176.600 -0.087 0.000 0.980 62 K CA -0.094 56.124 56.287 -0.114 0.000 1.098 62 K CB 0.240 32.689 32.500 -0.085 0.000 1.227 62 K HN 0.244 nan 8.250 nan 0.000 0.367 63 K N 0.158 120.508 120.400 -0.083 0.000 2.054 63 K HA 0.057 4.376 4.320 -0.001 0.000 0.207 63 K C 0.560 177.072 176.600 -0.146 0.000 1.031 63 K CA 0.699 56.920 56.287 -0.110 0.000 0.952 63 K CB -0.206 32.229 32.500 -0.107 0.000 0.775 63 K HN 0.125 nan 8.250 nan 0.000 0.447 64 F N 2.266 122.095 119.950 -0.201 0.000 2.529 64 F HA -0.056 4.471 4.527 -0.001 0.000 0.365 64 F C 0.637 176.152 175.800 -0.476 0.000 1.102 64 F CA 0.153 57.946 58.000 -0.346 0.000 1.271 64 F CB 0.661 39.406 39.000 -0.426 0.000 1.120 64 F HN -0.006 nan 8.300 nan 0.000 0.579 65 S N 4.039 119.622 115.700 -0.195 0.000 2.789 65 S HA 0.290 4.759 4.470 -0.001 0.000 0.286 65 S C -0.100 174.409 174.600 -0.153 0.000 1.153 65 S CA -0.793 57.278 58.200 -0.214 0.000 1.084 65 S CB 0.146 63.297 63.200 -0.081 0.000 1.036 65 S HN 0.575 nan 8.310 nan 0.000 0.484 66 Y N 3.024 123.384 120.300 0.101 0.000 2.163 66 Y HA 0.124 4.673 4.550 -0.001 0.000 0.288 66 Y C 1.634 177.558 175.900 0.040 0.000 1.136 66 Y CA 1.005 59.141 58.100 0.059 0.000 1.147 66 Y CB -0.296 38.150 38.460 -0.025 0.000 0.987 66 Y HN 0.946 nan 8.280 nan 0.000 0.509 67 S N -1.565 114.237 115.700 0.170 0.000 2.636 67 S HA 0.720 5.189 4.470 -0.001 0.000 0.268 67 S C -0.632 174.011 174.600 0.073 0.000 1.159 67 S CA -0.330 57.928 58.200 0.098 0.000 0.815 67 S CB 1.796 65.047 63.200 0.084 0.000 1.130 67 S HN 0.382 nan 8.310 nan 0.000 0.471 68 S N -0.552 115.184 115.700 0.059 0.000 2.800 68 S HA 0.946 5.415 4.470 -0.001 0.000 0.293 68 S C -0.380 174.254 174.600 0.057 0.000 1.209 68 S CA -0.448 57.785 58.200 0.054 0.000 0.884 68 S CB 0.832 64.067 63.200 0.058 0.000 1.244 68 S HN 2.381 nan 8.310 nan 0.000 0.540 69 G N 0.013 108.851 108.800 0.063 0.000 2.455 69 G HA2 0.467 4.426 3.960 -0.001 0.000 0.298 69 G HA3 0.467 4.426 3.960 -0.001 0.000 0.298 69 G C -1.871 173.080 174.900 0.084 0.000 1.349 69 G CA -0.733 44.410 45.100 0.073 0.000 1.220 69 G HN 0.885 nan 8.290 nan 0.000 0.598 70 H N 2.040 121.129 119.070 0.031 0.000 2.982 70 H HA 0.404 4.959 4.556 -0.001 0.000 0.261 70 H C 0.598 175.954 175.328 0.046 0.000 1.603 70 H CA -0.035 56.037 56.048 0.040 0.000 1.398 70 H CB 0.459 30.243 29.762 0.038 0.000 1.693 70 H HN 0.497 nan 8.280 nan 0.000 0.535 71 V N 2.442 122.346 119.914 -0.017 0.000 2.259 71 V HA 0.220 4.339 4.120 -0.001 0.000 0.267 71 V C 0.050 176.125 176.094 -0.033 0.000 1.051 71 V CA -1.037 61.269 62.300 0.010 0.000 0.830 71 V CB 0.020 31.841 31.823 -0.003 0.000 1.080 71 V HN 0.658 nan 8.190 nan 0.000 0.467 72 H N 6.113 125.148 119.070 -0.058 0.000 2.742 72 H HA 0.623 5.179 4.556 -0.001 0.000 0.302 72 H C -0.124 175.128 175.328 -0.127 0.000 1.069 72 H CA -0.393 55.598 56.048 -0.094 0.000 1.446 72 H CB 1.039 30.793 29.762 -0.013 0.000 1.462 72 H HN 0.867 nan 8.280 nan 0.000 0.499 73 L N 3.019 123.777 121.223 -0.776 0.000 2.387 73 L HA 0.750 5.089 4.340 -0.001 0.000 0.266 73 L C -0.163 176.157 176.870 -0.917 0.000 1.059 73 L CA -0.939 53.506 54.840 -0.658 0.000 0.801 73 L CB 1.655 43.450 42.059 -0.441 0.000 1.223 73 L HN 0.768 nan 8.230 nan 0.000 0.456 74 S N -1.213 113.970 115.700 -0.861 0.000 2.636 74 S HA 0.258 4.728 4.470 -0.001 0.000 0.266 74 S C 0.207 174.108 174.600 -1.165 0.000 1.147 74 S CA -0.233 57.394 58.200 -0.956 0.000 0.815 74 S CB 1.081 64.101 63.200 -0.301 0.000 1.119 74 S HN 0.526 nan 8.310 nan 0.000 0.470 75 S N 0.347 115.549 115.700 -0.830 0.000 2.469 75 S HA -0.076 4.393 4.470 -0.001 0.000 0.238 75 S C 1.514 175.975 174.600 -0.232 0.000 0.998 75 S CA 1.434 59.398 58.200 -0.394 0.000 0.957 75 S CB -0.520 62.641 63.200 -0.066 0.000 0.764 75 S HN 0.726 nan 8.310 nan 0.000 0.514 76 E N 1.294 121.364 120.200 -0.217 0.000 2.152 76 E HA -0.079 4.270 4.350 -0.001 0.000 0.192 76 E C 1.207 177.724 176.600 -0.137 0.000 0.983 76 E CA 0.650 56.975 56.400 -0.125 0.000 0.818 76 E CB 0.020 29.674 29.700 -0.077 0.000 0.758 76 E HN 0.228 nan 8.360 nan 0.000 0.467 77 N N 0.688 119.262 118.700 -0.212 0.000 2.279 77 N HA 0.007 4.747 4.740 -0.001 0.000 0.226 77 N C -0.610 174.789 175.510 -0.185 0.000 1.126 77 N CA 0.079 53.025 53.050 -0.174 0.000 0.846 77 N CB 0.159 38.550 38.487 -0.162 0.000 1.050 77 N HN 0.001 nan 8.380 nan 0.000 0.502 78 K N 0.404 120.681 120.400 -0.204 0.000 2.884 78 K HA -0.250 4.069 4.320 -0.001 0.000 0.247 78 K C -0.540 176.085 176.600 0.042 0.000 0.951 78 K CA 0.450 56.676 56.287 -0.102 0.000 0.706 78 K CB -2.471 29.974 32.500 -0.091 0.000 1.240 78 K HN 0.480 nan 8.250 nan 0.000 0.484 79 F N -0.821 119.097 119.950 -0.053 0.000 2.695 79 F HA -0.323 4.203 4.527 -0.001 0.000 0.305 79 F C 0.617 176.413 175.800 -0.007 0.000 1.044 79 F CA 1.089 59.055 58.000 -0.056 0.000 1.049 79 F CB -1.130 37.888 39.000 0.029 0.000 1.267 79 F HN 0.266 nan 8.300 nan 0.000 0.828 80 Q N 0.613 120.466 119.800 0.089 0.000 2.472 80 Q HA 0.649 4.989 4.340 -0.001 0.000 0.281 80 Q C -0.865 175.223 176.000 0.148 0.000 0.997 80 Q CA -1.312 54.604 55.803 0.190 0.000 0.828 80 Q CB 3.295 32.189 28.738 0.259 0.000 1.443 80 Q HN 0.334 nan 8.270 nan 0.000 0.390 81 N N -0.429 118.382 118.700 0.185 0.000 3.521 81 N HA 0.234 4.973 4.740 -0.001 0.000 0.228 81 N C -1.846 173.671 175.510 0.011 0.000 1.328 81 N CA -0.166 52.952 53.050 0.112 0.000 0.907 81 N CB 2.316 40.817 38.487 0.023 0.000 1.487 81 N HN 0.484 nan 8.380 nan 0.000 0.503 82 S N 0.109 115.810 115.700 0.002 0.000 2.621 82 S HA 0.938 5.407 4.470 -0.001 0.000 0.302 82 S C -0.758 173.825 174.600 -0.028 0.000 1.093 82 S CA -0.571 57.588 58.200 -0.069 0.000 1.017 82 S CB 1.699 64.857 63.200 -0.070 0.000 1.077 82 S HN 0.689 nan 8.310 nan 0.000 0.517 83 A N 1.783 124.581 122.820 -0.035 0.000 2.437 83 A HA 0.614 4.934 4.320 -0.001 0.000 0.293 83 A C -0.453 177.132 177.584 0.001 0.000 1.038 83 A CA -0.821 51.212 52.037 -0.006 0.000 0.708 83 A CB 0.480 19.480 19.000 -0.000 0.000 1.251 83 A HN 0.910 nan 8.150 nan 0.000 0.409 84 I N 1.986 122.563 120.570 0.013 0.000 2.224 84 I HA 0.367 4.537 4.170 -0.001 0.000 0.293 84 I C -0.269 175.863 176.117 0.025 0.000 1.155 84 I CA -0.669 60.643 61.300 0.019 0.000 1.297 84 I CB -0.340 37.673 38.000 0.020 0.000 1.487 84 I HN 0.279 nan 8.210 nan 0.000 0.564 85 L N 3.829 125.067 121.223 0.025 0.000 2.420 85 L HA 0.368 4.708 4.340 -0.001 0.000 0.198 85 L C 0.761 177.638 176.870 0.012 0.000 1.165 85 L CA 0.260 55.112 54.840 0.020 0.000 0.863 85 L CB -0.228 41.834 42.059 0.005 0.000 1.371 85 L HN 0.782 nan 8.230 nan 0.000 0.536 86 T N 0.249 114.796 114.554 -0.011 0.000 4.111 86 T HA 0.213 4.562 4.350 -0.001 0.000 0.370 86 T C -0.821 173.827 174.700 -0.086 0.000 0.846 86 T CA -0.560 61.521 62.100 -0.031 0.000 0.979 86 T CB -0.327 68.542 68.868 0.001 0.000 1.246 86 T HN 0.317 nan 8.240 nan 0.000 0.443 87 I N 5.764 126.215 120.570 -0.200 0.000 2.483 87 I HA 0.146 4.315 4.170 -0.001 0.000 0.291 87 I C 1.344 177.313 176.117 -0.246 0.000 1.112 87 I CA -0.081 60.988 61.300 -0.385 0.000 1.350 87 I CB 0.578 38.278 38.000 -0.501 0.000 1.419 87 I HN 0.574 nan 8.210 nan 0.000 0.523 88 Q N 8.132 127.812 119.800 -0.201 0.000 2.177 88 Q HA 0.319 4.659 4.340 -0.001 0.000 0.183 88 Q C -2.087 173.801 176.000 -0.186 0.000 1.040 88 Q CA -1.665 54.060 55.803 -0.130 0.000 1.089 88 Q CB -0.061 28.641 28.738 -0.061 0.000 1.130 88 Q HN 0.343 nan 8.270 nan 0.000 0.575 89 P HA 0.059 nan 4.420 nan 0.000 0.252 89 P C -0.284 176.942 177.300 -0.124 0.000 1.727 89 P CA 0.153 63.157 63.100 -0.160 0.000 1.134 89 P CB 0.264 31.849 31.700 -0.193 0.000 1.876 90 K N 0.776 121.089 120.400 -0.144 0.000 2.011 90 K HA 0.036 4.355 4.320 -0.001 0.000 0.216 90 K C 0.761 177.302 176.600 -0.098 0.000 1.026 90 K CA 0.660 56.859 56.287 -0.146 0.000 0.987 90 K CB -0.837 31.536 32.500 -0.212 0.000 0.907 90 K HN 0.273 nan 8.250 nan 0.000 0.448 91 Q N 1.669 121.420 119.800 -0.082 0.000 2.362 91 Q HA -0.065 4.275 4.340 -0.001 0.000 0.305 91 Q C 0.795 176.789 176.000 -0.009 0.000 1.120 91 Q CA 0.675 56.462 55.803 -0.027 0.000 1.011 91 Q CB -0.149 28.592 28.738 0.005 0.000 1.048 91 Q HN 0.318 nan 8.270 nan 0.000 0.386 92 L N 3.203 124.415 121.223 -0.017 0.000 2.906 92 L HA 0.204 4.544 4.340 -0.001 0.000 0.255 92 L C -1.522 175.334 176.870 -0.023 0.000 1.166 92 L CA -0.827 53.997 54.840 -0.027 0.000 0.977 92 L CB 0.141 42.176 42.059 -0.040 0.000 1.313 92 L HN 0.319 nan 8.230 nan 0.000 0.549 93 P HA 0.138 nan 4.420 nan 0.000 0.271 93 P C 0.512 177.804 177.300 -0.014 0.000 1.380 93 P CA 0.135 63.231 63.100 -0.007 0.000 0.992 93 P CB 0.501 32.205 31.700 0.006 0.000 1.230 94 G N 1.929 110.713 108.800 -0.027 0.000 2.414 94 G HA2 0.323 4.282 3.960 -0.001 0.000 0.236 94 G HA3 0.323 4.282 3.960 -0.001 0.000 0.236 94 G C 1.017 175.904 174.900 -0.021 0.000 1.293 94 G CA 0.265 45.343 45.100 -0.036 0.000 0.869 94 G HN 0.782 nan 8.290 nan 0.000 0.556 95 G N 0.792 109.580 108.800 -0.021 0.000 3.586 95 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.212 95 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.212 95 G C 0.824 175.725 174.900 0.002 0.000 1.411 95 G CA 0.666 45.761 45.100 -0.008 0.000 0.898 95 G HN 1.092 nan 8.290 nan 0.000 0.575 96 Q N 1.590 121.394 119.800 0.007 0.000 2.326 96 Q HA 0.133 4.472 4.340 -0.001 0.000 0.314 96 Q C -0.299 175.718 176.000 0.028 0.000 1.091 96 Q CA 0.453 56.268 55.803 0.019 0.000 0.974 96 Q CB 0.101 28.852 28.738 0.022 0.000 1.220 96 Q HN 0.467 nan 8.270 nan 0.000 0.398 97 N N 5.975 124.698 118.700 0.038 0.000 3.245 97 N HA 0.230 4.969 4.740 -0.001 0.000 0.296 97 N C -2.434 173.125 175.510 0.082 0.000 1.254 97 N CA -0.999 52.087 53.050 0.059 0.000 1.190 97 N CB 0.213 38.730 38.487 0.052 0.000 1.460 97 N HN 0.433 nan 8.380 nan 0.000 0.538 98 P HA 0.217 nan 4.420 nan 0.000 0.276 98 P C 0.934 178.320 177.300 0.143 0.000 1.261 98 P CA -0.464 62.700 63.100 0.106 0.000 0.800 98 P CB 1.187 32.949 31.700 0.102 0.000 1.066 99 V N -2.076 117.885 119.914 0.078 0.000 1.328 99 V HA -0.254 3.865 4.120 -0.001 0.000 0.046 99 V C 0.568 176.650 176.094 -0.020 0.000 1.825 99 V CA 2.138 64.437 62.300 -0.001 0.000 2.663 99 V CB -2.696 29.101 31.823 -0.043 0.000 1.538 99 V HN 0.701 nan 8.190 nan 0.000 0.947 100 S N 1.384 117.122 115.700 0.063 0.000 2.670 100 S HA 0.533 5.002 4.470 -0.001 0.000 0.328 100 S C -0.526 174.241 174.600 0.279 0.000 1.179 100 S CA 0.255 58.532 58.200 0.128 0.000 1.194 100 S CB -0.529 62.784 63.200 0.188 0.000 1.359 100 S HN 0.750 nan 8.310 nan 0.000 0.555 101 Y N -1.728 118.491 120.300 -0.135 0.000 2.661 101 Y HA -0.097 4.452 4.550 -0.001 0.000 0.035 101 Y C -0.197 175.702 175.900 -0.001 0.000 1.936 101 Y CA -0.576 57.441 58.100 -0.138 0.000 1.323 101 Y CB -0.933 37.273 38.460 -0.424 0.000 1.986 101 Y HN 0.584 nan 8.280 nan 0.000 0.268 102 V N -0.307 119.748 119.914 0.235 0.000 3.167 102 V HA 0.856 4.975 4.120 -0.001 0.000 0.310 102 V C -1.629 174.689 176.094 0.373 0.000 1.207 102 V CA -1.284 61.201 62.300 0.308 0.000 1.059 102 V CB 2.675 34.538 31.823 0.065 0.000 1.079 102 V HN 0.525 nan 8.190 nan 0.000 0.446 103 Y N 1.549 121.939 120.300 0.150 0.000 2.345 103 Y HA 0.746 5.295 4.550 -0.001 0.000 0.331 103 Y C -0.249 175.679 175.900 0.048 0.000 0.959 103 Y CA -0.794 57.378 58.100 0.120 0.000 1.204 103 Y CB 1.730 40.258 38.460 0.114 0.000 1.135 103 Y HN 0.686 nan 8.280 nan 0.000 0.477 104 L N 3.726 125.014 121.223 0.108 0.000 2.334 104 L HA 0.476 4.815 4.340 -0.001 0.000 0.277 104 L C -0.345 176.571 176.870 0.075 0.000 1.075 104 L CA -0.333 54.546 54.840 0.065 0.000 0.804 104 L CB 1.180 43.323 42.059 0.140 0.000 1.174 104 L HN 0.695 nan 8.230 nan 0.000 0.438 105 E N 2.346 122.581 120.200 0.060 0.000 2.314 105 E HA 0.717 5.066 4.350 -0.001 0.000 0.272 105 E C -1.805 174.814 176.600 0.031 0.000 0.884 105 E CA -0.667 55.766 56.400 0.055 0.000 0.753 105 E CB 2.058 31.799 29.700 0.069 0.000 1.213 105 E HN 0.401 nan 8.360 nan 0.000 0.432 106 V N 2.389 122.318 119.914 0.026 0.000 3.102 106 V HA 0.647 4.767 4.120 -0.001 0.000 0.312 106 V C -0.727 175.393 176.094 0.043 0.000 1.135 106 V CA -0.737 61.575 62.300 0.022 0.000 1.022 106 V CB 2.107 33.928 31.823 -0.002 0.000 1.056 106 V HN 0.555 nan 8.190 nan 0.000 0.436 107 V N 0.697 120.640 119.914 0.049 0.000 3.159 107 V HA 0.975 5.095 4.120 -0.001 0.000 0.308 107 V C -0.498 175.661 176.094 0.109 0.000 1.190 107 V CA -0.333 62.009 62.300 0.069 0.000 1.037 107 V CB 2.249 34.098 31.823 0.043 0.000 1.060 107 V HN 1.194 nan 8.190 nan 0.000 0.437 108 S N 0.775 116.568 115.700 0.155 0.000 2.663 108 S HA 0.336 4.806 4.470 -0.001 0.000 0.264 108 S C -0.097 174.648 174.600 0.241 0.000 1.112 108 S CA -0.387 57.958 58.200 0.242 0.000 0.823 108 S CB 1.421 64.862 63.200 0.401 0.000 1.111 108 S HN 0.842 nan 8.310 nan 0.000 0.476 109 K N 0.771 121.351 120.400 0.300 0.000 2.148 109 K HA 0.017 4.336 4.320 -0.001 0.000 0.204 109 K C 1.505 178.239 176.600 0.224 0.000 1.050 109 K CA 1.916 58.337 56.287 0.225 0.000 0.942 109 K CB -0.691 31.942 32.500 0.222 0.000 0.724 109 K HN 0.783 nan 8.250 nan 0.000 0.446 110 H N -1.889 117.247 119.070 0.110 0.000 2.551 110 H HA 0.208 4.763 4.556 -0.001 0.000 0.266 110 H C -0.638 174.840 175.328 0.249 0.000 0.964 110 H CA -0.061 56.029 56.048 0.069 0.000 1.180 110 H CB 0.372 30.052 29.762 -0.136 0.000 1.408 110 H HN 0.193 nan 8.280 nan 0.000 0.563 111 F N -0.986 118.973 119.950 0.016 0.000 3.593 111 F HA 0.308 4.834 4.527 -0.001 0.000 0.323 111 F C -1.684 174.153 175.800 0.063 0.000 1.006 111 F CA -0.617 57.365 58.000 -0.029 0.000 0.812 111 F CB 1.067 39.984 39.000 -0.138 0.000 1.650 111 F HN -0.157 nan 8.300 nan 0.000 0.449 112 S N 1.754 117.481 115.700 0.046 0.000 2.556 112 S HA 0.663 5.133 4.470 -0.001 0.000 0.280 112 S C -1.966 172.738 174.600 0.174 0.000 1.141 112 S CA -0.568 57.697 58.200 0.108 0.000 0.883 112 S CB 1.680 64.859 63.200 -0.034 0.000 1.103 112 S HN 0.806 nan 8.310 nan 0.000 0.453 113 K N 1.156 121.653 120.400 0.163 0.000 2.597 113 K HA 0.790 5.109 4.320 -0.001 0.000 0.282 113 K C -1.488 175.129 176.600 0.028 0.000 0.975 113 K CA -0.276 56.087 56.287 0.127 0.000 0.867 113 K CB 1.533 34.155 32.500 0.204 0.000 1.465 113 K HN 0.786 nan 8.250 nan 0.000 0.417 114 S N 0.826 116.533 115.700 0.011 0.000 2.703 114 S HA 0.779 5.248 4.470 -0.001 0.000 0.273 114 S C -1.581 172.973 174.600 -0.076 0.000 1.178 114 S CA -1.016 57.181 58.200 -0.004 0.000 0.838 114 S CB 1.668 64.917 63.200 0.081 0.000 1.178 114 S HN 0.800 nan 8.310 nan 0.000 0.494 115 K N -0.139 120.164 120.400 -0.161 0.000 2.642 115 K HA 0.525 4.844 4.320 -0.001 0.000 0.290 115 K C -2.063 174.235 176.600 -0.504 0.000 1.006 115 K CA -0.697 55.418 56.287 -0.287 0.000 0.869 115 K CB 1.501 33.886 32.500 -0.191 0.000 1.499 115 K HN 0.728 nan 8.250 nan 0.000 0.403 116 R N 3.937 124.177 120.500 -0.433 0.000 2.445 116 R HA 0.607 4.946 4.340 -0.001 0.000 0.308 116 R C -1.409 174.844 176.300 -0.079 0.000 0.961 116 R CA -0.443 55.503 56.100 -0.257 0.000 0.862 116 R CB 0.893 31.162 30.300 -0.053 0.000 1.144 116 R HN 0.852 nan 8.270 nan 0.000 0.447 117 M N 2.417 121.985 119.600 -0.053 0.000 2.307 117 M HA 0.387 4.866 4.480 -0.001 0.000 0.279 117 M C -2.946 173.223 176.300 -0.218 0.000 1.080 117 M CA -2.022 53.189 55.300 -0.149 0.000 0.964 117 M CB 2.160 34.683 32.600 -0.129 0.000 1.825 117 M HN 0.196 nan 8.290 nan 0.000 0.489 118 P HA 0.273 nan 4.420 nan 0.000 0.269 118 P C -0.870 176.306 177.300 -0.207 0.000 1.205 118 P CA 0.031 62.847 63.100 -0.473 0.000 0.780 118 P CB 0.494 31.951 31.700 -0.405 0.000 0.858 119 I N -1.928 118.542 120.570 -0.166 0.000 3.095 119 I HA 0.712 4.882 4.170 -0.001 0.000 0.310 119 I C -1.109 174.902 176.117 -0.177 0.000 1.196 119 I CA -0.389 60.856 61.300 -0.093 0.000 0.985 119 I CB 2.574 40.568 38.000 -0.012 0.000 1.250 119 I HN 0.195 nan 8.210 nan 0.000 0.446 120 T N 2.006 116.453 114.554 -0.179 0.000 2.804 120 T HA 0.442 4.791 4.350 -0.001 0.000 0.290 120 T C -1.019 173.537 174.700 -0.240 0.000 1.099 120 T CA -0.155 61.816 62.100 -0.215 0.000 1.011 120 T CB 1.067 69.922 68.868 -0.023 0.000 1.291 120 T HN 0.539 nan 8.240 nan 0.000 0.523 121 Y N 0.043 120.377 120.300 0.056 0.000 2.751 121 Y HA 0.353 4.903 4.550 -0.001 0.000 0.289 121 Y C 0.643 176.607 175.900 0.106 0.000 1.110 121 Y CA -0.623 57.552 58.100 0.124 0.000 1.251 121 Y CB 0.377 38.906 38.460 0.114 0.000 1.178 121 Y HN 0.401 nan 8.280 nan 0.000 0.540 122 D N 1.252 121.711 120.400 0.098 0.000 2.970 122 D HA 0.045 4.685 4.640 -0.001 0.000 0.282 122 D C -0.605 175.558 176.300 -0.228 0.000 1.291 122 D CA -0.055 53.930 54.000 -0.026 0.000 0.967 122 D CB -0.336 40.453 40.800 -0.018 0.000 1.017 122 D HN 0.328 nan 8.370 nan 0.000 0.512 123 N N 0.574 119.020 118.700 -0.425 0.000 2.414 123 N HA 0.425 5.164 4.740 -0.001 0.000 0.256 123 N C 0.700 175.780 175.510 -0.717 0.000 1.029 123 N CA 0.055 52.689 53.050 -0.694 0.000 0.948 123 N CB 0.522 38.251 38.487 -1.263 0.000 1.102 123 N HN 0.337 nan 8.380 nan 0.000 0.496 124 G N 2.139 110.431 108.800 -0.848 0.000 2.584 124 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.229 124 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.229 124 G C -1.016 172.952 174.900 -1.553 0.000 1.320 124 G CA -0.171 44.273 45.100 -1.092 0.000 0.891 124 G HN 0.556 nan 8.290 nan 0.000 0.573 125 F N -1.685 118.229 119.950 -0.059 0.000 2.693 125 F HA 0.701 5.227 4.527 -0.001 0.000 0.309 125 F C -0.586 175.049 175.800 -0.275 0.000 1.129 125 F CA -1.145 56.779 58.000 -0.126 0.000 0.948 125 F CB 1.557 40.453 39.000 -0.173 0.000 1.315 125 F HN 0.453 nan 8.300 nan 0.000 0.447 126 L N 2.545 123.721 121.223 -0.078 0.000 2.325 126 L HA 0.533 4.872 4.340 -0.001 0.000 0.281 126 L C -1.196 175.565 176.870 -0.181 0.000 1.004 126 L CA -0.715 54.020 54.840 -0.176 0.000 0.823 126 L CB 0.968 42.926 42.059 -0.169 0.000 1.236 126 L HN 0.413 nan 8.230 nan 0.000 0.415 127 F N 4.362 124.326 119.950 0.022 0.000 2.444 127 F HA 0.511 5.038 4.527 -0.001 0.000 0.342 127 F C 0.643 176.388 175.800 -0.093 0.000 1.121 127 F CA -1.099 56.887 58.000 -0.023 0.000 0.997 127 F CB 1.375 40.459 39.000 0.139 0.000 1.130 127 F HN 0.211 nan 8.300 nan 0.000 0.454 128 I N 2.982 123.605 120.570 0.088 0.000 2.557 128 I HA 0.152 4.322 4.170 -0.001 0.000 0.277 128 I C 0.143 176.264 176.117 0.007 0.000 1.106 128 I CA -0.406 60.853 61.300 -0.068 0.000 1.180 128 I CB 0.352 38.264 38.000 -0.146 0.000 1.392 128 I HN 0.665 nan 8.210 nan 0.000 0.506 129 H N 4.811 123.816 119.070 -0.109 0.000 3.356 129 H HA 0.070 4.626 4.556 -0.001 0.000 0.260 129 H C 0.261 175.650 175.328 0.103 0.000 1.570 129 H CA -0.247 55.818 56.048 0.029 0.000 1.547 129 H CB 0.495 30.319 29.762 0.103 0.000 1.774 129 H HN 0.568 nan 8.280 nan 0.000 0.542 130 T N 2.901 117.533 114.554 0.130 0.000 2.902 130 T HA -0.114 4.236 4.350 -0.001 0.000 0.301 130 T C 1.592 176.396 174.700 0.173 0.000 1.012 130 T CA -0.013 62.102 62.100 0.025 0.000 1.151 130 T CB 0.567 69.436 68.868 0.001 0.000 0.946 130 T HN 0.876 nan 8.240 nan 0.000 0.542 131 D N 4.389 124.785 120.400 -0.006 0.000 2.108 131 D HA -0.143 4.496 4.640 -0.001 0.000 0.190 131 D C 0.714 177.091 176.300 0.127 0.000 0.995 131 D CA 1.549 55.594 54.000 0.076 0.000 0.834 131 D CB 0.027 40.543 40.800 -0.473 0.000 0.967 131 D HN 0.785 nan 8.370 nan 0.000 0.446 132 K N -0.697 119.640 120.400 -0.104 0.000 2.331 132 K HA 0.523 4.842 4.320 -0.001 0.000 0.238 132 K C -2.645 173.785 176.600 -0.282 0.000 1.058 132 K CA -1.632 54.480 56.287 -0.292 0.000 0.871 132 K CB 2.440 34.624 32.500 -0.526 0.000 1.292 132 K HN -0.079 nan 8.250 nan 0.000 0.470 133 P HA 0.287 nan 4.420 nan 0.000 0.340 133 P C -1.206 176.014 177.300 -0.133 0.000 1.718 133 P CA -0.360 62.692 63.100 -0.080 0.000 1.473 133 P CB 0.853 32.530 31.700 -0.039 0.000 1.804 134 V N 0.284 119.964 119.914 -0.389 0.000 3.036 134 V HA 0.420 4.540 4.120 -0.001 0.000 0.288 134 V C -1.537 174.293 176.094 -0.439 0.000 1.407 134 V CA -0.497 61.664 62.300 -0.231 0.000 0.983 134 V CB 2.315 33.995 31.823 -0.238 0.000 1.128 134 V HN -0.023 nan 8.190 nan 0.000 0.439 135 Y N 0.911 121.238 120.300 0.044 0.000 2.562 135 Y HA 0.734 5.283 4.550 -0.001 0.000 0.345 135 Y C 0.377 176.348 175.900 0.119 0.000 1.045 135 Y CA -0.768 57.358 58.100 0.044 0.000 1.028 135 Y CB 2.645 41.128 38.460 0.038 0.000 1.297 135 Y HN 0.709 nan 8.280 nan 0.000 0.463 136 T N -1.224 113.497 114.554 0.279 0.000 2.942 136 T HA 0.560 4.909 4.350 -0.001 0.000 0.289 136 T C -3.052 171.808 174.700 0.266 0.000 1.044 136 T CA -2.947 59.322 62.100 0.283 0.000 1.023 136 T CB 1.720 70.741 68.868 0.256 0.000 1.123 136 T HN 0.144 nan 8.240 nan 0.000 0.512 137 P HA 0.047 nan 4.420 nan 0.000 0.259 137 P C 0.248 177.646 177.300 0.163 0.000 1.155 137 P CA 1.022 64.263 63.100 0.235 0.000 0.759 137 P CB -0.015 31.841 31.700 0.261 0.000 0.753 138 D N -0.386 120.079 120.400 0.108 0.000 2.839 138 D HA -0.133 4.506 4.640 -0.001 0.000 0.194 138 D C 0.054 176.391 176.300 0.063 0.000 0.988 138 D CA 0.830 54.871 54.000 0.068 0.000 1.009 138 D CB -0.793 40.052 40.800 0.074 0.000 1.067 138 D HN 0.560 nan 8.370 nan 0.000 0.444 139 Q N 0.343 120.198 119.800 0.092 0.000 2.443 139 Q HA 0.348 4.688 4.340 -0.001 0.000 0.232 139 Q C 0.192 176.191 176.000 -0.002 0.000 1.026 139 Q CA 0.300 56.158 55.803 0.092 0.000 0.924 139 Q CB 0.993 29.853 28.738 0.204 0.000 1.256 139 Q HN -0.060 nan 8.270 nan 0.000 0.519 140 S N 0.698 116.386 115.700 -0.019 0.000 2.420 140 S HA 0.200 4.669 4.470 -0.001 0.000 0.313 140 S C -0.474 174.027 174.600 -0.164 0.000 1.079 140 S CA -0.620 57.523 58.200 -0.096 0.000 1.104 140 S CB 0.456 63.604 63.200 -0.087 0.000 0.969 140 S HN 0.369 nan 8.310 nan 0.000 0.471 141 V N 7.610 127.309 119.914 -0.359 0.000 2.382 141 V HA 0.047 4.166 4.120 -0.001 0.000 0.250 141 V C 0.963 176.830 176.094 -0.380 0.000 1.069 141 V CA 0.213 62.148 62.300 -0.609 0.000 1.130 141 V CB -0.726 30.437 31.823 -1.100 0.000 1.165 141 V HN 0.712 nan 8.190 nan 0.000 0.483 142 K N 3.035 123.187 120.400 -0.414 0.000 2.489 142 K HA 0.383 4.703 4.320 -0.001 0.000 0.278 142 K C -0.361 175.885 176.600 -0.590 0.000 1.000 142 K CA 0.263 56.130 56.287 -0.700 0.000 1.012 142 K CB 1.229 32.917 32.500 -1.353 0.000 0.903 142 K HN 0.470 nan 8.250 nan 0.000 0.485 143 V N 3.466 123.199 119.914 -0.301 0.000 3.098 143 V HA 0.543 4.663 4.120 -0.001 0.000 0.294 143 V C -1.673 174.497 176.094 0.127 0.000 1.351 143 V CA -0.688 61.559 62.300 -0.089 0.000 0.999 143 V CB 2.046 33.718 31.823 -0.251 0.000 1.104 143 V HN 1.026 nan 8.190 nan 0.000 0.438 144 R N 3.409 123.926 120.500 0.029 0.000 3.015 144 R HA 0.960 5.300 4.340 -0.001 0.000 0.258 144 R C -1.780 174.370 176.300 -0.250 0.000 1.172 144 R CA -0.853 55.242 56.100 -0.008 0.000 1.003 144 R CB 2.059 32.344 30.300 -0.025 0.000 1.326 144 R HN 0.591 nan 8.270 nan 0.000 0.449 145 V N 0.776 120.530 119.914 -0.266 0.000 2.817 145 V HA 0.374 4.494 4.120 -0.001 0.000 0.303 145 V C -1.861 174.066 176.094 -0.279 0.000 1.151 145 V CA -0.801 61.315 62.300 -0.308 0.000 0.929 145 V CB 2.012 33.794 31.823 -0.069 0.000 1.030 145 V HN 0.567 nan 8.190 nan 0.000 0.427 146 Y N 2.476 122.885 120.300 0.181 0.000 2.330 146 Y HA 0.719 5.268 4.550 -0.001 0.000 0.336 146 Y C 0.581 176.571 175.900 0.150 0.000 1.036 146 Y CA -0.984 57.231 58.100 0.192 0.000 1.125 146 Y CB 1.997 40.624 38.460 0.278 0.000 1.194 146 Y HN 0.620 nan 8.280 nan 0.000 0.469 147 S N 3.595 119.447 115.700 0.254 0.000 2.557 147 S HA 0.827 5.297 4.470 -0.001 0.000 0.291 147 S C -1.526 173.189 174.600 0.192 0.000 1.116 147 S CA -0.647 57.650 58.200 0.162 0.000 0.992 147 S CB 1.450 64.749 63.200 0.164 0.000 1.028 147 S HN 0.436 nan 8.310 nan 0.000 0.484 148 L N 3.088 124.416 121.223 0.174 0.000 2.333 148 L HA 0.640 4.980 4.340 -0.001 0.000 0.263 148 L C -0.452 176.464 176.870 0.077 0.000 1.014 148 L CA -0.442 54.505 54.840 0.180 0.000 0.820 148 L CB 2.147 44.369 42.059 0.271 0.000 1.352 148 L HN 0.990 nan 8.230 nan 0.000 0.421 149 N N 0.163 118.871 118.700 0.014 0.000 2.476 149 N HA 0.124 4.863 4.740 -0.001 0.000 0.275 149 N C 0.425 175.877 175.510 -0.095 0.000 1.190 149 N CA -0.303 52.665 53.050 -0.137 0.000 0.977 149 N CB 0.468 38.887 38.487 -0.113 0.000 1.200 149 N HN 0.653 nan 8.380 nan 0.000 0.515 150 D N -0.552 119.719 120.400 -0.216 0.000 2.263 150 D HA -0.299 4.341 4.640 -0.001 0.000 0.193 150 D C 0.072 176.404 176.300 0.053 0.000 1.013 150 D CA 1.666 55.609 54.000 -0.094 0.000 0.892 150 D CB -0.351 40.385 40.800 -0.108 0.000 0.909 150 D HN 0.570 nan 8.370 nan 0.000 0.449 151 D N -0.200 120.221 120.400 0.035 0.000 2.370 151 D HA 0.046 4.686 4.640 -0.001 0.000 0.230 151 D C 0.559 176.917 176.300 0.097 0.000 1.143 151 D CA -0.346 53.692 54.000 0.064 0.000 0.834 151 D CB -0.108 40.716 40.800 0.040 0.000 0.944 151 D HN 0.022 nan 8.370 nan 0.000 0.504 152 L N -0.345 120.966 121.223 0.145 0.000 3.941 152 L HA -0.316 4.023 4.340 -0.001 0.000 0.455 152 L C 0.421 177.364 176.870 0.122 0.000 1.179 152 L CA 1.385 56.325 54.840 0.167 0.000 0.782 152 L CB -2.074 40.082 42.059 0.161 0.000 1.679 152 L HN 0.182 nan 8.230 nan 0.000 0.871 153 K N -0.745 119.718 120.400 0.104 0.000 2.346 153 K HA 0.448 4.768 4.320 -0.001 0.000 0.238 153 K C -1.339 175.322 176.600 0.102 0.000 1.039 153 K CA -1.773 54.571 56.287 0.096 0.000 0.861 153 K CB 1.581 34.127 32.500 0.077 0.000 1.278 153 K HN -0.301 nan 8.250 nan 0.000 0.460 154 P HA -0.317 nan 4.420 nan 0.000 0.220 154 P C -0.081 177.284 177.300 0.108 0.000 1.155 154 P CA 2.451 65.620 63.100 0.116 0.000 0.880 154 P CB 0.028 31.795 31.700 0.111 0.000 0.790 155 A N -3.696 119.171 122.820 0.079 0.000 2.969 155 A HA -0.270 4.050 4.320 -0.001 0.000 0.252 155 A C 0.248 177.873 177.584 0.068 0.000 1.377 155 A CA 0.760 52.831 52.037 0.057 0.000 0.859 155 A CB -2.718 16.326 19.000 0.073 0.000 1.077 155 A HN 0.303 nan 8.150 nan 0.000 0.671 156 K N -0.643 119.793 120.400 0.060 0.000 2.579 156 K HA 0.194 4.513 4.320 -0.001 0.000 0.277 156 K C 0.737 177.370 176.600 0.055 0.000 0.985 156 K CA 1.275 57.594 56.287 0.052 0.000 1.088 156 K CB 0.074 32.583 32.500 0.015 0.000 0.836 156 K HN 0.701 nan 8.250 nan 0.000 0.487 157 R N 1.081 121.636 120.500 0.092 0.000 2.832 157 R HA 0.137 4.476 4.340 -0.001 0.000 0.283 157 R C -1.291 175.097 176.300 0.148 0.000 0.998 157 R CA -0.973 55.193 56.100 0.110 0.000 0.843 157 R CB 1.126 31.494 30.300 0.112 0.000 1.332 157 R HN 0.543 nan 8.270 nan 0.000 0.490 158 E N 1.079 121.377 120.200 0.165 0.000 2.151 158 E HA 0.395 4.745 4.350 -0.001 0.000 0.275 158 E C -1.004 175.734 176.600 0.231 0.000 0.936 158 E CA -0.301 56.183 56.400 0.140 0.000 0.777 158 E CB 2.271 32.017 29.700 0.077 0.000 1.108 158 E HN 0.331 nan 8.360 nan 0.000 0.401 159 T N 1.194 115.838 114.554 0.150 0.000 2.916 159 T HA 0.468 4.817 4.350 -0.001 0.000 0.292 159 T C -0.809 173.982 174.700 0.152 0.000 1.055 159 T CA -0.551 61.629 62.100 0.133 0.000 1.009 159 T CB 2.006 70.912 68.868 0.063 0.000 1.118 159 T HN 0.127 nan 8.240 nan 0.000 0.497 160 V N 2.600 122.612 119.914 0.163 0.000 2.789 160 V HA 0.630 4.749 4.120 -0.001 0.000 0.311 160 V C -0.985 175.214 176.094 0.175 0.000 1.073 160 V CA -0.838 61.597 62.300 0.226 0.000 0.921 160 V CB 1.730 33.641 31.823 0.148 0.000 1.009 160 V HN 0.754 nan 8.190 nan 0.000 0.426 161 L N 2.554 123.905 121.223 0.214 0.000 2.347 161 L HA 0.991 5.330 4.340 -0.001 0.000 0.268 161 L C 0.191 177.150 176.870 0.150 0.000 1.019 161 L CA -0.425 54.430 54.840 0.024 0.000 0.806 161 L CB 1.517 43.405 42.059 -0.285 0.000 1.339 161 L HN 0.683 nan 8.230 nan 0.000 0.463 162 T N -0.836 113.787 114.554 0.115 0.000 3.424 162 T HA 0.441 4.790 4.350 -0.001 0.000 0.293 162 T C -0.717 174.130 174.700 0.245 0.000 0.788 162 T CA -0.468 61.765 62.100 0.222 0.000 1.337 162 T CB -0.643 68.290 68.868 0.109 0.000 0.948 162 T HN 0.284 nan 8.240 nan 0.000 0.534 163 F N 2.705 122.682 119.950 0.045 0.000 2.628 163 F HA 0.467 4.993 4.527 -0.001 0.000 0.346 163 F C 1.048 176.883 175.800 0.059 0.000 1.188 163 F CA -0.925 57.119 58.000 0.072 0.000 1.376 163 F CB 0.267 39.347 39.000 0.133 0.000 1.104 163 F HN 0.427 nan 8.300 nan 0.000 0.616 164 I N 1.951 122.624 120.570 0.171 0.000 2.563 164 I HA 0.093 4.263 4.170 -0.001 0.000 0.281 164 I C -0.811 175.032 176.117 -0.458 0.000 1.110 164 I CA -1.092 60.150 61.300 -0.096 0.000 1.073 164 I CB 1.409 39.340 38.000 -0.114 0.000 1.215 164 I HN 0.547 nan 8.210 nan 0.000 0.460 165 D N 7.341 127.318 120.400 -0.706 0.000 2.429 165 D HA -0.033 4.606 4.640 -0.001 0.000 0.233 165 D C -1.950 173.801 176.300 -0.915 0.000 1.202 165 D CA -1.243 51.974 54.000 -1.304 0.000 0.879 165 D CB 0.491 40.804 40.800 -0.812 0.000 1.212 165 D HN 0.194 nan 8.370 nan 0.000 0.465 166 P HA -0.074 nan 4.420 nan 0.000 0.249 166 P C 0.125 177.224 177.300 -0.335 0.000 1.227 166 P CA 1.031 63.801 63.100 -0.551 0.000 0.753 166 P CB 0.014 31.453 31.700 -0.434 0.000 0.966 167 E N -2.627 117.373 120.200 -0.334 0.000 2.606 167 E HA 0.267 4.617 4.350 -0.001 0.000 0.224 167 E C 0.863 177.337 176.600 -0.209 0.000 0.930 167 E CA 0.255 56.513 56.400 -0.236 0.000 1.125 167 E CB 0.515 30.078 29.700 -0.229 0.000 1.123 167 E HN 0.099 nan 8.360 nan 0.000 0.522 168 G N 2.364 111.023 108.800 -0.234 0.000 2.167 168 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.194 168 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.194 168 G C -0.118 174.691 174.900 -0.152 0.000 1.027 168 G CA 0.338 45.334 45.100 -0.174 0.000 0.717 168 G HN 0.169 nan 8.290 nan 0.000 0.501 169 S N -0.048 115.540 115.700 -0.186 0.000 2.498 169 S HA 0.597 5.067 4.470 -0.001 0.000 0.317 169 S C 0.501 175.046 174.600 -0.092 0.000 1.090 169 S CA -0.272 57.847 58.200 -0.135 0.000 1.089 169 S CB 1.110 64.195 63.200 -0.192 0.000 0.997 169 S HN 0.386 nan 8.310 nan 0.000 0.470 170 E N 2.157 122.346 120.200 -0.018 0.000 2.556 170 E HA -0.002 4.347 4.350 -0.001 0.000 0.273 170 E C 0.122 176.749 176.600 0.044 0.000 1.123 170 E CA 0.359 56.778 56.400 0.032 0.000 1.033 170 E CB 0.393 30.130 29.700 0.061 0.000 1.025 170 E HN 0.553 nan 8.360 nan 0.000 0.465 171 V N 0.001 119.985 119.914 0.116 0.000 3.509 171 V HA 0.097 4.217 4.120 -0.001 0.000 0.286 171 V C -0.087 176.091 176.094 0.140 0.000 1.618 171 V CA -0.002 62.382 62.300 0.140 0.000 1.088 171 V CB 0.702 32.651 31.823 0.211 0.000 0.909 171 V HN 0.693 nan 8.190 nan 0.000 0.429 172 D N -1.092 119.391 120.400 0.138 0.000 3.485 172 D HA 0.553 5.192 4.640 -0.001 0.000 0.358 172 D C -1.375 174.998 176.300 0.122 0.000 1.487 172 D CA -0.135 53.902 54.000 0.061 0.000 0.922 172 D CB 1.761 42.508 40.800 -0.088 0.000 1.479 172 D HN -0.023 nan 8.370 nan 0.000 0.567 173 M N 0.147 119.820 119.600 0.122 0.000 3.256 173 M HA 0.363 4.842 4.480 -0.001 0.000 0.259 173 M C -2.173 174.239 176.300 0.186 0.000 0.846 173 M CA -0.478 54.935 55.300 0.188 0.000 0.822 173 M CB 1.224 33.900 32.600 0.127 0.000 1.553 173 M HN 0.380 nan 8.290 nan 0.000 0.576 174 V N 0.870 120.918 119.914 0.223 0.000 2.845 174 V HA 0.409 4.528 4.120 -0.001 0.000 0.267 174 V C -2.133 174.098 176.094 0.228 0.000 1.866 174 V CA -0.467 61.951 62.300 0.196 0.000 0.887 174 V CB 2.108 34.056 31.823 0.208 0.000 1.379 174 V HN 0.985 nan 8.190 nan 0.000 0.420 175 E N 3.018 123.273 120.200 0.092 0.000 2.450 175 E HA 0.919 5.269 4.350 -0.001 0.000 0.248 175 E C -0.675 175.805 176.600 -0.199 0.000 0.930 175 E CA -0.769 55.642 56.400 0.018 0.000 0.854 175 E CB 2.820 32.536 29.700 0.026 0.000 1.355 175 E HN 0.747 nan 8.360 nan 0.000 0.402 176 E N -0.664 119.399 120.200 -0.229 0.000 2.331 176 E HA 0.292 4.642 4.350 -0.001 0.000 0.263 176 E C -1.846 174.669 176.600 -0.141 0.000 1.224 176 E CA -0.640 55.611 56.400 -0.248 0.000 0.898 176 E CB 1.245 30.671 29.700 -0.457 0.000 1.591 176 E HN 0.502 nan 8.360 nan 0.000 0.463 177 I N -0.275 120.229 120.570 -0.110 0.000 2.392 177 I HA 0.556 4.726 4.170 -0.001 0.000 0.295 177 I C -0.619 175.481 176.117 -0.029 0.000 0.985 177 I CA -0.190 61.084 61.300 -0.043 0.000 1.221 177 I CB 1.512 39.504 38.000 -0.013 0.000 1.366 177 I HN 0.252 nan 8.210 nan 0.000 0.467 178 D N 4.446 124.849 120.400 0.004 0.000 2.479 178 D HA 0.142 4.782 4.640 -0.001 0.000 0.218 178 D C 0.621 176.932 176.300 0.018 0.000 1.131 178 D CA 0.253 54.265 54.000 0.022 0.000 0.916 178 D CB 0.253 41.091 40.800 0.063 0.000 1.022 178 D HN 0.806 nan 8.370 nan 0.000 0.515 179 H N 3.092 122.118 119.070 -0.073 0.000 2.372 179 H HA 0.046 4.602 4.556 -0.001 0.000 0.301 179 H C 1.790 177.062 175.328 -0.095 0.000 1.065 179 H CA 1.880 57.881 56.048 -0.077 0.000 1.364 179 H CB 0.561 30.259 29.762 -0.106 0.000 1.406 179 H HN 0.557 nan 8.280 nan 0.000 0.521 180 I N -6.145 114.409 120.570 -0.026 0.000 3.873 180 I HA 0.472 4.642 4.170 -0.001 0.000 0.284 180 I C 1.616 177.704 176.117 -0.049 0.000 1.186 180 I CA 0.766 61.984 61.300 -0.136 0.000 1.362 180 I CB 1.185 38.764 38.000 -0.701 0.000 1.432 180 I HN 0.299 nan 8.210 nan 0.000 0.454 181 G N 2.248 111.027 108.800 -0.034 0.000 3.578 181 G HA2 0.079 4.038 3.960 -0.001 0.000 0.220 181 G HA3 0.079 4.038 3.960 -0.001 0.000 0.220 181 G C 0.123 175.094 174.900 0.118 0.000 0.933 181 G CA -0.324 44.819 45.100 0.072 0.000 0.847 181 G HN 0.229 nan 8.290 nan 0.000 0.612 182 I N 3.148 123.743 120.570 0.041 0.000 2.268 182 I HA 0.366 4.535 4.170 -0.001 0.000 0.290 182 I C 0.245 176.370 176.117 0.013 0.000 1.125 182 I CA -0.524 60.839 61.300 0.104 0.000 1.236 182 I CB 0.560 38.592 38.000 0.054 0.000 1.469 182 I HN -0.004 nan 8.210 nan 0.000 0.512 183 I N 4.745 125.343 120.570 0.048 0.000 2.578 183 I HA -0.017 4.152 4.170 -0.001 0.000 0.286 183 I C 0.438 176.590 176.117 0.059 0.000 1.126 183 I CA 0.486 61.799 61.300 0.020 0.000 1.380 183 I CB 0.291 38.346 38.000 0.092 0.000 1.408 183 I HN 0.522 nan 8.210 nan 0.000 0.532 184 S N 7.248 122.925 115.700 -0.039 0.000 2.955 184 S HA 0.363 4.832 4.470 -0.001 0.000 0.294 184 S C 0.025 174.634 174.600 0.016 0.000 1.198 184 S CA -0.637 57.585 58.200 0.037 0.000 1.008 184 S CB -0.333 62.861 63.200 -0.010 0.000 1.279 184 S HN 0.281 nan 8.310 nan 0.000 0.508 185 F N 3.002 122.966 119.950 0.024 0.000 2.380 185 F HA 0.375 4.901 4.527 -0.001 0.000 0.295 185 F C -1.748 174.080 175.800 0.047 0.000 1.292 185 F CA -1.341 56.683 58.000 0.041 0.000 1.248 185 F CB 0.071 39.104 39.000 0.054 0.000 1.338 185 F HN 0.243 nan 8.300 nan 0.000 0.524 186 P HA 0.267 nan 4.420 nan 0.000 0.309 186 P C -1.793 175.570 177.300 0.106 0.000 1.452 186 P CA -0.748 62.425 63.100 0.122 0.000 1.053 186 P CB 1.275 33.018 31.700 0.071 0.000 1.167 187 D N 1.445 121.860 120.400 0.025 0.000 2.749 187 D HA -0.104 4.535 4.640 -0.001 0.000 0.222 187 D C -0.603 175.708 176.300 0.017 0.000 1.131 187 D CA 1.007 54.993 54.000 -0.023 0.000 0.845 187 D CB -0.072 40.678 40.800 -0.083 0.000 1.196 187 D HN 0.231 nan 8.370 nan 0.000 0.503 188 F N 2.073 121.924 119.950 -0.166 0.000 2.427 188 F HA 0.302 4.829 4.527 -0.001 0.000 0.348 188 F C -0.074 175.563 175.800 -0.271 0.000 1.125 188 F CA -1.289 56.575 58.000 -0.228 0.000 0.989 188 F CB 0.954 39.847 39.000 -0.179 0.000 1.165 188 F HN 0.072 nan 8.300 nan 0.000 0.442 189 K N 6.620 126.771 120.400 -0.415 0.000 2.174 189 K HA 0.467 4.786 4.320 -0.001 0.000 0.275 189 K C -0.801 175.621 176.600 -0.297 0.000 1.015 189 K CA -0.523 55.601 56.287 -0.273 0.000 0.933 189 K CB 0.615 32.973 32.500 -0.236 0.000 1.025 189 K HN 0.550 nan 8.250 nan 0.000 0.463 190 I N 5.048 125.559 120.570 -0.099 0.000 2.575 190 I HA 0.194 4.364 4.170 -0.001 0.000 0.285 190 I C -2.009 174.083 176.117 -0.042 0.000 1.085 190 I CA -2.827 58.452 61.300 -0.036 0.000 1.403 190 I CB 0.225 38.225 38.000 0.000 0.000 1.409 190 I HN 0.638 nan 8.210 nan 0.000 0.557 191 P HA 0.091 nan 4.420 nan 0.000 0.267 191 P C 0.686 178.006 177.300 0.035 0.000 1.200 191 P CA 0.082 63.188 63.100 0.012 0.000 0.772 191 P CB 0.404 32.135 31.700 0.052 0.000 0.855 192 S N 0.616 116.341 115.700 0.042 0.000 2.420 192 S HA -0.172 4.297 4.470 -0.001 0.000 0.237 192 S C 0.920 175.571 174.600 0.084 0.000 1.023 192 S CA 1.471 59.708 58.200 0.061 0.000 0.991 192 S CB -0.710 62.527 63.200 0.061 0.000 0.792 192 S HN 0.639 nan 8.310 nan 0.000 0.488 193 N N 0.512 119.256 118.700 0.073 0.000 2.747 193 N HA 0.324 5.063 4.740 -0.001 0.000 0.262 193 N C -3.524 171.948 175.510 -0.063 0.000 1.261 193 N CA -1.529 51.543 53.050 0.036 0.000 0.809 193 N CB 1.395 39.927 38.487 0.074 0.000 1.450 193 N HN -0.081 nan 8.380 nan 0.000 0.560 194 P HA 0.526 nan 4.420 nan 0.000 0.289 194 P C -0.813 176.227 177.300 -0.433 0.000 1.300 194 P CA -0.662 62.330 63.100 -0.179 0.000 0.828 194 P CB 1.138 32.831 31.700 -0.012 0.000 1.235 195 R N -0.105 120.275 120.500 -0.199 0.000 2.316 195 R HA 0.263 4.603 4.340 -0.001 0.000 0.314 195 R C -0.513 175.696 176.300 -0.153 0.000 1.069 195 R CA 0.122 56.086 56.100 -0.226 0.000 0.959 195 R CB -0.553 29.636 30.300 -0.184 0.000 0.987 195 R HN 0.409 nan 8.270 nan 0.000 0.446 196 Y N 2.122 122.459 120.300 0.063 0.000 2.393 196 Y HA 0.457 5.006 4.550 -0.001 0.000 0.338 196 Y C 1.315 177.245 175.900 0.049 0.000 1.029 196 Y CA 0.769 58.923 58.100 0.089 0.000 1.239 196 Y CB 1.203 39.704 38.460 0.067 0.000 1.170 196 Y HN 0.841 nan 8.280 nan 0.000 0.515 197 G N 1.807 110.763 108.800 0.260 0.000 2.553 197 G HA2 0.145 4.104 3.960 -0.001 0.000 0.106 197 G HA3 0.145 4.104 3.960 -0.001 0.000 0.106 197 G C -1.517 173.460 174.900 0.128 0.000 1.126 197 G CA -0.988 44.191 45.100 0.131 0.000 1.075 197 G HN 0.292 nan 8.290 nan 0.000 0.472 198 M N 1.182 120.792 119.600 0.016 0.000 2.047 198 M HA 0.692 5.171 4.480 -0.001 0.000 0.342 198 M C -1.458 174.784 176.300 -0.097 0.000 1.058 198 M CA -1.757 53.553 55.300 0.017 0.000 0.991 198 M CB 0.125 32.740 32.600 0.026 0.000 1.474 198 M HN 0.402 nan 8.290 nan 0.000 0.419 199 W N 3.170 124.221 121.300 -0.416 0.000 2.237 199 W HA 0.555 5.214 4.660 -0.001 0.000 0.335 199 W C -0.004 176.253 176.519 -0.437 0.000 1.230 199 W CA 0.050 57.036 57.345 -0.598 0.000 1.253 199 W CB 1.143 29.746 29.460 -1.429 0.000 1.129 199 W HN 0.495 nan 8.180 nan 0.000 0.590 200 T N 3.984 118.436 114.554 -0.171 0.000 2.864 200 T HA 0.470 4.819 4.350 -0.001 0.000 0.299 200 T C -0.442 174.117 174.700 -0.236 0.000 1.011 200 T CA -0.614 61.293 62.100 -0.321 0.000 0.975 200 T CB 0.307 68.954 68.868 -0.368 0.000 0.962 200 T HN 0.095 nan 8.240 nan 0.000 0.448 201 I N 3.755 124.158 120.570 -0.278 0.000 2.315 201 I HA 0.360 4.529 4.170 -0.001 0.000 0.291 201 I C 0.436 176.353 176.117 -0.334 0.000 1.006 201 I CA -0.653 60.422 61.300 -0.374 0.000 1.265 201 I CB 0.924 38.600 38.000 -0.541 0.000 1.387 201 I HN 0.347 nan 8.210 nan 0.000 0.475 202 K N 5.010 125.253 120.400 -0.261 0.000 2.166 202 K HA 0.890 5.209 4.320 -0.001 0.000 0.245 202 K C -0.805 175.692 176.600 -0.172 0.000 0.967 202 K CA -0.812 55.362 56.287 -0.188 0.000 0.863 202 K CB 2.503 34.929 32.500 -0.123 0.000 1.107 202 K HN 0.684 nan 8.250 nan 0.000 0.436 203 A N 1.937 124.674 122.820 -0.139 0.000 2.488 203 A HA 0.534 4.854 4.320 -0.001 0.000 0.298 203 A C -1.564 175.953 177.584 -0.112 0.000 1.044 203 A CA -0.927 51.029 52.037 -0.134 0.000 0.693 203 A CB 1.244 20.128 19.000 -0.194 0.000 1.272 203 A HN 0.763 nan 8.150 nan 0.000 0.402 204 K N 1.337 121.684 120.400 -0.087 0.000 2.502 204 K HA 0.587 4.906 4.320 -0.001 0.000 0.257 204 K C -1.574 174.985 176.600 -0.068 0.000 0.938 204 K CA -0.719 55.525 56.287 -0.072 0.000 0.819 204 K CB 1.427 33.935 32.500 0.014 0.000 1.333 204 K HN 0.533 nan 8.250 nan 0.000 0.434 205 Y N 2.187 122.543 120.300 0.093 0.000 2.511 205 Y HA -0.051 4.498 4.550 -0.001 0.000 0.332 205 Y C 1.916 177.866 175.900 0.083 0.000 1.177 205 Y CA 0.189 58.357 58.100 0.112 0.000 1.422 205 Y CB 1.234 39.807 38.460 0.187 0.000 1.271 205 Y HN 0.780 nan 8.280 nan 0.000 0.550 206 K N 1.650 122.199 120.400 0.248 0.000 1.977 206 K HA -0.182 4.138 4.320 -0.001 0.000 0.218 206 K C 0.885 177.547 176.600 0.103 0.000 1.051 206 K CA 1.413 57.781 56.287 0.136 0.000 0.953 206 K CB 0.010 32.572 32.500 0.104 0.000 0.727 206 K HN 0.669 nan 8.250 nan 0.000 0.445 207 E N 1.558 121.808 120.200 0.084 0.000 3.787 207 E HA -0.094 4.256 4.350 -0.001 0.000 0.418 207 E C 0.054 176.630 176.600 -0.040 0.000 1.529 207 E CA 0.558 56.952 56.400 -0.010 0.000 2.366 207 E CB -0.343 29.313 29.700 -0.073 0.000 1.118 207 E HN 0.471 nan 8.360 nan 0.000 0.671 208 D N -1.224 119.060 120.400 -0.194 0.000 2.360 208 D HA 0.350 4.989 4.640 -0.001 0.000 0.242 208 D C -0.283 175.846 176.300 -0.285 0.000 1.184 208 D CA -0.174 53.675 54.000 -0.251 0.000 0.930 208 D CB 0.150 40.737 40.800 -0.354 0.000 1.161 208 D HN 0.409 nan 8.370 nan 0.000 0.447 209 F N -1.465 118.513 119.950 0.047 0.000 2.201 209 F HA -0.160 4.367 4.527 -0.001 0.000 0.367 209 F C 0.902 176.760 175.800 0.098 0.000 1.280 209 F CA -0.394 57.660 58.000 0.090 0.000 1.082 209 F CB -0.765 38.258 39.000 0.038 0.000 3.796 209 F HN 0.436 nan 8.300 nan 0.000 0.357 210 S N 1.230 117.119 115.700 0.315 0.000 2.515 210 S HA -0.056 4.413 4.470 -0.001 0.000 0.231 210 S C 1.032 175.724 174.600 0.154 0.000 0.987 210 S CA 1.062 59.364 58.200 0.169 0.000 0.936 210 S CB -0.255 63.048 63.200 0.172 0.000 0.766 210 S HN 0.691 nan 8.310 nan 0.000 0.528 211 T N 2.058 116.725 114.554 0.188 0.000 2.866 211 T HA 0.118 4.468 4.350 -0.001 0.000 0.293 211 T C -0.009 174.731 174.700 0.066 0.000 1.005 211 T CA -0.132 62.033 62.100 0.108 0.000 1.162 211 T CB 0.315 69.234 68.868 0.085 0.000 0.968 211 T HN 0.176 nan 8.240 nan 0.000 0.530 212 T N 3.227 117.820 114.554 0.065 0.000 2.733 212 T HA 0.554 4.903 4.350 -0.001 0.000 0.294 212 T C 0.761 175.492 174.700 0.052 0.000 0.956 212 T CA -0.730 61.402 62.100 0.053 0.000 0.987 212 T CB 1.131 70.049 68.868 0.084 0.000 0.920 212 T HN 0.909 nan 8.240 nan 0.000 0.470 213 G N 2.534 111.319 108.800 -0.025 0.000 2.322 213 G HA2 0.557 4.516 3.960 -0.001 0.000 0.309 213 G HA3 0.557 4.516 3.960 -0.001 0.000 0.309 213 G C -0.380 174.488 174.900 -0.054 0.000 1.121 213 G CA -0.424 44.650 45.100 -0.044 0.000 0.886 213 G HN 0.635 nan 8.290 nan 0.000 0.447 214 T N 0.172 114.710 114.554 -0.026 0.000 2.930 214 T HA 0.868 5.217 4.350 -0.001 0.000 0.290 214 T C -0.050 174.612 174.700 -0.063 0.000 1.052 214 T CA 0.064 62.124 62.100 -0.068 0.000 1.017 214 T CB 1.982 70.854 68.868 0.007 0.000 1.137 214 T HN 1.291 nan 8.240 nan 0.000 0.511 215 A N 0.799 123.526 122.820 -0.154 0.000 2.540 215 A HA 0.788 5.107 4.320 -0.001 0.000 0.291 215 A C -2.336 175.151 177.584 -0.161 0.000 1.083 215 A CA -0.884 51.150 52.037 -0.005 0.000 0.650 215 A CB 0.822 19.793 19.000 -0.049 0.000 1.292 215 A HN 0.777 nan 8.150 nan 0.000 0.435 216 Y N -1.457 118.877 120.300 0.057 0.000 2.677 216 Y HA 0.769 5.318 4.550 -0.001 0.000 0.334 216 Y C -0.644 175.407 175.900 0.253 0.000 1.154 216 Y CA -0.696 57.464 58.100 0.100 0.000 1.070 216 Y CB 2.393 40.880 38.460 0.046 0.000 1.294 216 Y HN 1.170 nan 8.280 nan 0.000 0.475 217 F N -0.920 119.174 119.950 0.238 0.000 2.662 217 F HA 0.442 4.968 4.527 -0.001 0.000 0.319 217 F C -1.850 174.092 175.800 0.236 0.000 1.079 217 F CA -0.880 57.233 58.000 0.188 0.000 1.062 217 F CB 1.119 40.205 39.000 0.144 0.000 1.299 217 F HN 0.472 nan 8.300 nan 0.000 0.487 218 E N 3.068 123.389 120.200 0.203 0.000 2.231 218 E HA 0.694 5.043 4.350 -0.001 0.000 0.277 218 E C -1.550 175.187 176.600 0.229 0.000 0.999 218 E CA -1.036 55.448 56.400 0.141 0.000 0.827 218 E CB 2.061 31.833 29.700 0.121 0.000 1.101 218 E HN 0.646 nan 8.360 nan 0.000 0.393 219 V N 4.454 124.515 119.914 0.246 0.000 2.459 219 V HA 0.393 4.512 4.120 -0.001 0.000 0.295 219 V C -0.373 175.945 176.094 0.373 0.000 1.029 219 V CA -0.579 61.909 62.300 0.313 0.000 0.874 219 V CB 1.611 33.618 31.823 0.307 0.000 0.985 219 V HN 0.651 nan 8.190 nan 0.000 0.438 220 K N 2.571 123.168 120.400 0.329 0.000 2.385 220 K HA 0.489 4.808 4.320 -0.001 0.000 0.248 220 K C -0.669 176.001 176.600 0.117 0.000 0.955 220 K CA -0.796 55.609 56.287 0.195 0.000 0.816 220 K CB 2.684 35.262 32.500 0.130 0.000 1.250 220 K HN 0.737 nan 8.250 nan 0.000 0.434 221 E N 2.620 122.638 120.200 -0.304 0.000 2.105 221 E HA 0.018 4.367 4.350 -0.001 0.000 0.285 221 E C -1.241 175.323 176.600 -0.061 0.000 1.055 221 E CA -0.454 55.722 56.400 -0.374 0.000 0.843 221 E CB 0.431 29.573 29.700 -0.930 0.000 1.067 221 E HN 0.440 nan 8.360 nan 0.000 0.398 222 Y N 4.770 125.073 120.300 0.005 0.000 2.632 222 Y HA 0.144 4.694 4.550 -0.001 0.000 0.329 222 Y C -0.896 174.996 175.900 -0.013 0.000 1.174 222 Y CA 0.081 58.198 58.100 0.027 0.000 1.469 222 Y CB 0.438 38.957 38.460 0.098 0.000 1.242 222 Y HN 0.246 nan 8.280 nan 0.000 0.540 223 V N 7.077 126.532 119.914 -0.765 0.000 2.994 223 V HA 0.283 4.403 4.120 -0.001 0.000 0.318 223 V C -0.473 174.961 176.094 -1.100 0.000 1.085 223 V CA -1.381 60.517 62.300 -0.670 0.000 0.998 223 V CB 1.872 33.475 31.823 -0.365 0.000 1.063 223 V HN 0.632 nan 8.190 nan 0.000 0.447 224 L N 4.071 124.922 121.223 -0.620 0.000 2.276 224 L HA 0.503 4.842 4.340 -0.001 0.000 0.286 224 L C -2.424 174.086 176.870 -0.600 0.000 1.061 224 L CA -1.692 52.842 54.840 -0.509 0.000 0.807 224 L CB 1.491 43.376 42.059 -0.290 0.000 1.177 224 L HN 0.477 nan 8.230 nan 0.000 0.429 225 P HA 0.258 nan 4.420 nan 0.000 0.276 225 P C -0.258 176.695 177.300 -0.579 0.000 1.243 225 P CA -0.047 62.791 63.100 -0.436 0.000 0.768 225 P CB 0.615 32.226 31.700 -0.149 0.000 0.856 226 H N 2.561 121.333 119.070 -0.496 0.000 2.355 226 H HA 0.156 4.711 4.556 -0.001 0.000 0.303 226 H C 0.415 175.609 175.328 -0.224 0.000 1.061 226 H CA 0.919 56.594 56.048 -0.622 0.000 1.368 226 H CB -0.060 29.042 29.762 -1.100 0.000 1.412 226 H HN 0.436 nan 8.280 nan 0.000 0.523 227 F N -1.882 118.155 119.950 0.145 0.000 2.608 227 F HA 0.439 4.965 4.527 -0.001 0.000 0.309 227 F C -0.464 175.466 175.800 0.217 0.000 1.103 227 F CA -1.782 56.418 58.000 0.333 0.000 0.954 227 F CB 1.321 40.547 39.000 0.376 0.000 1.267 227 F HN -0.268 nan 8.300 nan 0.000 0.444 228 S N 2.477 118.371 115.700 0.324 0.000 2.429 228 S HA 0.448 4.917 4.470 -0.001 0.000 0.292 228 S C -0.696 173.977 174.600 0.121 0.000 1.183 228 S CA -0.314 57.933 58.200 0.078 0.000 1.088 228 S CB -0.175 62.900 63.200 -0.207 0.000 1.018 228 S HN 0.622 nan 8.310 nan 0.000 0.511 229 V N 6.375 126.362 119.914 0.122 0.000 2.407 229 V HA 0.451 4.571 4.120 -0.001 0.000 0.278 229 V C 0.622 176.726 176.094 0.017 0.000 1.037 229 V CA -0.294 62.067 62.300 0.102 0.000 0.900 229 V CB 1.410 33.330 31.823 0.162 0.000 0.983 229 V HN 1.057 nan 8.190 nan 0.000 0.459 230 S N 6.190 121.885 115.700 -0.007 0.000 2.690 230 S HA 0.831 5.300 4.470 -0.001 0.000 0.285 230 S C -0.390 174.198 174.600 -0.021 0.000 1.135 230 S CA -0.697 57.489 58.200 -0.025 0.000 1.020 230 S CB 1.995 65.171 63.200 -0.040 0.000 1.159 230 S HN 0.874 nan 8.310 nan 0.000 0.534 231 I N 0.090 120.645 120.570 -0.025 0.000 2.724 231 I HA 0.379 4.548 4.170 -0.001 0.000 0.284 231 I C -2.295 173.817 176.117 -0.008 0.000 1.388 231 I CA -0.387 60.903 61.300 -0.018 0.000 1.081 231 I CB 1.516 39.499 38.000 -0.029 0.000 1.368 231 I HN 0.833 nan 8.210 nan 0.000 0.429 232 E N 8.599 128.801 120.200 0.004 0.000 2.187 232 E HA 0.577 4.926 4.350 -0.001 0.000 0.268 232 E C -2.676 173.955 176.600 0.052 0.000 0.896 232 E CA -1.846 54.563 56.400 0.014 0.000 0.766 232 E CB 1.674 31.367 29.700 -0.012 0.000 1.142 232 E HN 0.347 nan 8.360 nan 0.000 0.408 233 P HA 0.093 nan 4.420 nan 0.000 0.282 233 P C 0.266 177.617 177.300 0.084 0.000 1.259 233 P CA -0.490 62.753 63.100 0.240 0.000 0.826 233 P CB 1.130 33.047 31.700 0.362 0.000 1.064 234 E N 0.663 120.775 120.200 -0.147 0.000 2.033 234 E HA -0.178 4.171 4.350 -0.001 0.000 0.199 234 E C -0.073 176.512 176.600 -0.025 0.000 1.011 234 E CA 1.732 57.973 56.400 -0.266 0.000 0.815 234 E CB -0.063 29.271 29.700 -0.610 0.000 0.755 234 E HN 0.521 nan 8.360 nan 0.000 0.451 235 Y N -2.865 117.271 120.300 -0.274 0.000 3.048 235 Y HA 0.277 4.826 4.550 -0.001 0.000 0.305 235 Y C 0.835 176.861 175.900 0.209 0.000 1.538 235 Y CA -1.458 56.643 58.100 0.002 0.000 1.082 235 Y CB 0.521 38.986 38.460 0.009 0.000 1.388 235 Y HN -0.245 nan 8.280 nan 0.000 0.557 236 N N -0.852 118.111 118.700 0.440 0.000 2.356 236 N HA 0.220 4.960 4.740 -0.001 0.000 0.178 236 N C -0.938 174.636 175.510 0.107 0.000 1.075 236 N CA 0.503 53.723 53.050 0.284 0.000 0.889 236 N CB 0.397 39.050 38.487 0.277 0.000 0.999 236 N HN 0.325 nan 8.380 nan 0.000 0.464 237 F N -0.849 119.179 119.950 0.129 0.000 2.900 237 F HA 0.565 5.092 4.527 -0.001 0.000 0.375 237 F C -0.361 175.455 175.800 0.026 0.000 1.258 237 F CA -1.059 56.953 58.000 0.019 0.000 1.094 237 F CB 1.555 40.540 39.000 -0.025 0.000 1.505 237 F HN -0.387 nan 8.300 nan 0.000 0.510 238 I N 1.077 121.715 120.570 0.113 0.000 2.603 238 I HA 0.274 4.443 4.170 -0.001 0.000 0.276 238 I C -0.438 175.595 176.117 -0.139 0.000 1.133 238 I CA -0.201 61.038 61.300 -0.102 0.000 1.070 238 I CB 1.029 38.680 38.000 -0.582 0.000 1.215 238 I HN 0.597 nan 8.210 nan 0.000 0.487 239 G N 2.985 111.718 108.800 -0.112 0.000 2.451 239 G HA2 0.190 4.150 3.960 -0.001 0.000 0.303 239 G HA3 0.190 4.150 3.960 -0.001 0.000 0.303 239 G C 0.457 175.231 174.900 -0.211 0.000 1.166 239 G CA -0.382 44.649 45.100 -0.115 0.000 0.884 239 G HN 0.728 nan 8.290 nan 0.000 0.514 240 Y N -0.267 119.943 120.300 -0.149 0.000 2.738 240 Y HA -0.088 4.461 4.550 -0.001 0.000 0.293 240 Y C 2.085 177.928 175.900 -0.095 0.000 1.156 240 Y CA 1.045 59.041 58.100 -0.174 0.000 1.410 240 Y CB -0.273 38.081 38.460 -0.177 0.000 0.966 240 Y HN 0.478 nan 8.280 nan 0.000 0.568 241 K N 1.221 121.005 120.400 -1.026 0.000 2.002 241 K HA -0.094 4.226 4.320 -0.001 0.000 0.209 241 K C 0.121 176.532 176.600 -0.315 0.000 1.048 241 K CA 1.511 57.339 56.287 -0.765 0.000 0.930 241 K CB -0.232 31.889 32.500 -0.631 0.000 0.714 241 K HN 0.541 nan 8.250 nan 0.000 0.438 242 N N -0.294 118.263 118.700 -0.239 0.000 2.430 242 N HA 0.180 4.920 4.740 -0.001 0.000 0.292 242 N C -0.448 175.111 175.510 0.081 0.000 1.051 242 N CA -0.152 52.853 53.050 -0.075 0.000 0.917 242 N CB 1.541 39.978 38.487 -0.083 0.000 1.164 242 N HN 0.018 nan 8.380 nan 0.000 0.484 243 F N 0.764 120.655 119.950 -0.098 0.000 2.960 243 F HA 0.232 4.758 4.527 -0.001 0.000 0.403 243 F C 0.634 176.376 175.800 -0.097 0.000 0.955 243 F CA 0.094 58.038 58.000 -0.093 0.000 1.010 243 F CB 0.540 39.517 39.000 -0.039 0.000 1.255 243 F HN 0.290 nan 8.300 nan 0.000 0.559 244 K N 1.028 121.385 120.400 -0.073 0.000 2.358 244 K HA 0.251 4.571 4.320 -0.001 0.000 0.200 244 K C -0.503 176.027 176.600 -0.116 0.000 1.030 244 K CA 0.213 56.407 56.287 -0.154 0.000 1.097 244 K CB 0.208 32.665 32.500 -0.073 0.000 0.862 244 K HN 0.326 nan 8.250 nan 0.000 0.534 245 N N -0.337 118.329 118.700 -0.057 0.000 2.636 245 N HA 0.201 4.940 4.740 -0.001 0.000 0.261 245 N C -1.747 173.843 175.510 0.133 0.000 1.195 245 N CA -0.606 52.451 53.050 0.011 0.000 0.902 245 N CB 0.874 39.363 38.487 0.004 0.000 1.627 245 N HN -0.128 nan 8.380 nan 0.000 0.491 246 F N -0.026 119.936 119.950 0.021 0.000 2.608 246 F HA 0.427 4.954 4.527 -0.001 0.000 0.309 246 F C -0.888 174.974 175.800 0.102 0.000 1.103 246 F CA -0.517 57.522 58.000 0.064 0.000 0.954 246 F CB 2.220 41.299 39.000 0.131 0.000 1.267 246 F HN 0.627 nan 8.300 nan 0.000 0.444 247 E N 6.594 126.711 120.200 -0.138 0.000 2.102 247 E HA 0.472 4.821 4.350 -0.001 0.000 0.263 247 E C -1.369 175.243 176.600 0.020 0.000 0.894 247 E CA -0.406 55.991 56.400 -0.006 0.000 0.746 247 E CB 0.846 30.526 29.700 -0.034 0.000 1.129 247 E HN 0.559 nan 8.360 nan 0.000 0.416 248 I N 3.692 124.349 120.570 0.144 0.000 2.354 248 I HA 0.279 4.448 4.170 -0.001 0.000 0.292 248 I C -0.046 176.118 176.117 0.078 0.000 0.989 248 I CA -0.716 60.672 61.300 0.148 0.000 1.188 248 I CB 1.820 39.952 38.000 0.219 0.000 1.342 248 I HN 0.356 nan 8.210 nan 0.000 0.457 249 T N 6.137 120.715 114.554 0.040 0.000 2.867 249 T HA 0.731 5.080 4.350 -0.001 0.000 0.282 249 T C -0.190 174.515 174.700 0.008 0.000 1.000 249 T CA -0.612 61.496 62.100 0.013 0.000 1.042 249 T CB 1.665 70.527 68.868 -0.011 0.000 0.973 249 T HN 0.530 nan 8.240 nan 0.000 0.465 250 I N -0.616 119.954 120.570 -0.001 0.000 2.478 250 I HA 0.598 4.767 4.170 -0.001 0.000 0.287 250 I C -0.972 175.131 176.117 -0.023 0.000 1.042 250 I CA -1.115 60.180 61.300 -0.008 0.000 1.067 250 I CB 1.828 39.828 38.000 -0.001 0.000 1.233 250 I HN 0.407 nan 8.210 nan 0.000 0.431 251 K N 5.894 126.275 120.400 -0.032 0.000 2.521 251 K HA 0.745 5.064 4.320 -0.001 0.000 0.248 251 K C -0.618 175.943 176.600 -0.065 0.000 0.978 251 K CA -0.526 55.728 56.287 -0.056 0.000 0.947 251 K CB 2.314 34.778 32.500 -0.061 0.000 1.165 251 K HN 0.806 nan 8.250 nan 0.000 0.445 252 A N 3.589 126.352 122.820 -0.096 0.000 2.295 252 A HA 0.764 5.083 4.320 -0.001 0.000 0.318 252 A C -0.307 177.128 177.584 -0.248 0.000 1.134 252 A CA -0.671 51.293 52.037 -0.122 0.000 0.827 252 A CB 0.522 19.413 19.000 -0.182 0.000 1.136 252 A HN 0.932 nan 8.150 nan 0.000 0.493 253 R N 0.566 120.911 120.500 -0.257 0.000 2.736 253 R HA 0.366 4.705 4.340 -0.001 0.000 0.250 253 R C -1.810 174.347 176.300 -0.238 0.000 1.098 253 R CA -0.730 55.146 56.100 -0.373 0.000 0.978 253 R CB 0.060 30.211 30.300 -0.247 0.000 1.263 253 R HN 0.602 nan 8.270 nan 0.000 0.460 254 Y N 1.338 121.512 120.300 -0.210 0.000 2.296 254 Y HA 0.194 4.743 4.550 -0.001 0.000 0.343 254 Y C 1.202 176.992 175.900 -0.183 0.000 1.292 254 Y CA -0.733 57.237 58.100 -0.216 0.000 1.490 254 Y CB 0.525 38.528 38.460 -0.761 0.000 1.359 254 Y HN 0.485 nan 8.280 nan 0.000 0.599 255 F N -0.677 119.240 119.950 -0.055 0.000 2.293 255 F HA -0.179 4.348 4.527 -0.001 0.000 0.300 255 F C 1.108 176.973 175.800 0.108 0.000 1.086 255 F CA 0.282 58.314 58.000 0.054 0.000 1.375 255 F CB -0.176 38.912 39.000 0.146 0.000 1.045 255 F HN 0.493 nan 8.300 nan 0.000 0.516 256 Y N 0.824 121.322 120.300 0.330 0.000 2.871 256 Y HA 0.191 4.741 4.550 -0.001 0.000 0.378 256 Y C 0.565 176.560 175.900 0.158 0.000 1.069 256 Y CA -0.847 57.379 58.100 0.208 0.000 1.662 256 Y CB -2.172 36.370 38.460 0.137 0.000 1.561 256 Y HN 0.324 nan 8.280 nan 0.000 0.483 257 N N -0.055 118.711 118.700 0.109 0.000 2.707 257 N HA -0.282 4.458 4.740 -0.001 0.000 0.253 257 N C -1.202 174.333 175.510 0.043 0.000 0.998 257 N CA 0.701 53.788 53.050 0.062 0.000 0.751 257 N CB -0.703 37.853 38.487 0.115 0.000 0.920 257 N HN 0.427 nan 8.380 nan 0.000 0.539 258 K N 0.865 121.236 120.400 -0.048 0.000 2.601 258 K HA 0.287 4.607 4.320 -0.001 0.000 0.249 258 K C 0.060 176.520 176.600 -0.233 0.000 0.966 258 K CA -0.548 55.711 56.287 -0.046 0.000 0.827 258 K CB 2.020 34.598 32.500 0.130 0.000 1.178 258 K HN 0.295 nan 8.250 nan 0.000 0.437 259 V N 0.998 120.776 119.914 -0.227 0.000 3.139 259 V HA 0.198 4.317 4.120 -0.001 0.000 0.307 259 V C 0.627 176.426 176.094 -0.491 0.000 1.095 259 V CA -0.517 61.576 62.300 -0.345 0.000 1.160 259 V CB 0.586 32.278 31.823 -0.218 0.000 1.003 259 V HN 0.339 nan 8.190 nan 0.000 0.489 260 V N 4.278 123.793 119.914 -0.665 0.000 3.096 260 V HA 0.236 4.355 4.120 -0.001 0.000 0.306 260 V C 1.148 177.070 176.094 -0.286 0.000 1.088 260 V CA 0.666 62.595 62.300 -0.619 0.000 1.129 260 V CB 0.767 32.195 31.823 -0.658 0.000 1.014 260 V HN 1.246 nan 8.190 nan 0.000 0.486 261 T N 1.185 115.638 114.554 -0.169 0.000 2.281 261 T HA 0.152 4.501 4.350 -0.001 0.000 0.180 261 T C 0.414 175.065 174.700 -0.082 0.000 0.683 261 T CA -0.342 61.700 62.100 -0.097 0.000 1.735 261 T CB -0.070 68.769 68.868 -0.047 0.000 3.036 261 T HN 0.753 nan 8.240 nan 0.000 0.399 262 E N 1.229 121.404 120.200 -0.042 0.000 2.452 262 E HA 0.383 4.733 4.350 -0.001 0.000 0.261 262 E C -1.086 175.493 176.600 -0.034 0.000 0.987 262 E CA -0.369 56.015 56.400 -0.026 0.000 0.926 262 E CB 0.190 29.889 29.700 -0.002 0.000 0.934 262 E HN 0.611 nan 8.360 nan 0.000 0.452 263 A N 4.630 127.436 122.820 -0.023 0.000 2.555 263 A HA 0.222 4.541 4.320 -0.001 0.000 0.297 263 A C -1.290 176.314 177.584 0.033 0.000 1.060 263 A CA -0.875 51.156 52.037 -0.009 0.000 0.710 263 A CB 1.484 20.446 19.000 -0.062 0.000 1.282 263 A HN 0.658 nan 8.150 nan 0.000 0.399 264 D N 0.789 121.234 120.400 0.075 0.000 2.345 264 D HA 0.456 5.095 4.640 -0.001 0.000 0.247 264 D C -0.539 175.872 176.300 0.185 0.000 1.108 264 D CA 0.521 54.608 54.000 0.144 0.000 0.894 264 D CB 1.606 42.550 40.800 0.239 0.000 1.203 264 D HN 0.232 nan 8.370 nan 0.000 0.430 265 V N 4.270 124.265 119.914 0.134 0.000 2.409 265 V HA 0.256 4.376 4.120 -0.001 0.000 0.291 265 V C -0.932 175.206 176.094 0.073 0.000 1.020 265 V CA -0.656 61.710 62.300 0.111 0.000 0.848 265 V CB 1.024 32.860 31.823 0.022 0.000 0.990 265 V HN 0.388 nan 8.190 nan 0.000 0.430 266 Y N 5.030 125.329 120.300 -0.003 0.000 2.326 266 Y HA 0.652 5.202 4.550 -0.001 0.000 0.331 266 Y C -0.027 175.829 175.900 -0.073 0.000 0.962 266 Y CA -0.865 57.223 58.100 -0.020 0.000 1.167 266 Y CB 1.827 40.285 38.460 -0.003 0.000 1.148 266 Y HN 0.454 nan 8.280 nan 0.000 0.463 267 I N 4.159 124.698 120.570 -0.051 0.000 2.439 267 I HA 0.307 4.476 4.170 -0.001 0.000 0.283 267 I C -0.077 175.761 176.117 -0.466 0.000 1.023 267 I CA -0.709 60.437 61.300 -0.257 0.000 1.100 267 I CB 1.673 39.477 38.000 -0.326 0.000 1.238 267 I HN 0.572 nan 8.210 nan 0.000 0.445 268 T N 2.018 116.335 114.554 -0.395 0.000 2.881 268 T HA 0.711 5.060 4.350 -0.001 0.000 0.278 268 T C -0.438 173.816 174.700 -0.743 0.000 0.982 268 T CA -0.304 61.582 62.100 -0.357 0.000 0.989 268 T CB 1.398 70.255 68.868 -0.019 0.000 1.058 268 T HN 0.215 nan 8.240 nan 0.000 0.529 269 F N -1.218 118.765 119.950 0.055 0.000 2.675 269 F HA 0.808 5.335 4.527 -0.001 0.000 0.324 269 F C 0.679 176.574 175.800 0.158 0.000 1.106 269 F CA -0.891 57.126 58.000 0.028 0.000 0.970 269 F CB 2.212 41.102 39.000 -0.183 0.000 1.385 269 F HN 1.074 nan 8.300 nan 0.000 0.489 270 G N 0.432 109.481 108.800 0.415 0.000 2.677 270 G HA2 0.636 4.595 3.960 -0.001 0.000 0.291 270 G HA3 0.636 4.595 3.960 -0.001 0.000 0.291 270 G C -1.670 173.344 174.900 0.189 0.000 1.435 270 G CA -0.722 44.531 45.100 0.255 0.000 0.826 270 G HN 0.375 nan 8.290 nan 0.000 0.491 271 I N -0.785 119.854 120.570 0.115 0.000 3.660 271 I HA 0.789 4.959 4.170 -0.001 0.000 0.285 271 I C 0.569 176.713 176.117 0.045 0.000 1.266 271 I CA -0.834 60.510 61.300 0.073 0.000 0.987 271 I CB 1.633 39.716 38.000 0.137 0.000 1.417 271 I HN 0.872 nan 8.210 nan 0.000 0.590 272 R N -0.463 120.053 120.500 0.027 0.000 3.197 272 R HA 0.224 4.563 4.340 -0.001 0.000 0.271 272 R C -0.506 175.761 176.300 -0.055 0.000 0.931 272 R CA -0.252 55.834 56.100 -0.024 0.000 0.805 272 R CB 0.663 30.954 30.300 -0.015 0.000 1.572 272 R HN 0.483 nan 8.270 nan 0.000 0.462 273 E N -0.549 119.563 120.200 -0.146 0.000 2.940 273 E HA 0.163 4.512 4.350 -0.001 0.000 0.203 273 E C -0.800 175.552 176.600 -0.413 0.000 0.995 273 E CA 1.087 57.379 56.400 -0.180 0.000 1.396 273 E CB 0.529 30.169 29.700 -0.100 0.000 1.310 273 E HN 0.607 nan 8.360 nan 0.000 0.613 274 D N -1.145 119.001 120.400 -0.423 0.000 2.895 274 D HA 0.176 4.815 4.640 -0.001 0.000 0.320 274 D C 0.749 176.817 176.300 -0.386 0.000 1.249 274 D CA -0.569 53.099 54.000 -0.554 0.000 0.997 274 D CB 0.442 41.066 40.800 -0.293 0.000 1.430 274 D HN -0.064 nan 8.370 nan 0.000 0.558 275 L N -0.851 120.228 121.223 -0.240 0.000 2.567 275 L HA 0.207 4.546 4.340 -0.001 0.000 0.225 275 L C 1.843 178.665 176.870 -0.080 0.000 1.119 275 L CA 0.224 55.011 54.840 -0.088 0.000 0.871 275 L CB -0.023 42.040 42.059 0.007 0.000 1.036 275 L HN 0.294 nan 8.230 nan 0.000 0.459 276 K N -0.011 120.319 120.400 -0.117 0.000 2.387 276 K HA 0.004 4.323 4.320 -0.001 0.000 0.198 276 K C -0.050 176.482 176.600 -0.113 0.000 1.022 276 K CA -0.089 56.120 56.287 -0.130 0.000 1.128 276 K CB 0.393 32.789 32.500 -0.173 0.000 0.853 276 K HN -0.020 nan 8.250 nan 0.000 0.523 277 D N 1.380 121.718 120.400 -0.103 0.000 2.373 277 D HA -0.004 4.636 4.640 -0.001 0.000 0.227 277 D C 0.110 176.365 176.300 -0.074 0.000 1.091 277 D CA -0.463 53.483 54.000 -0.090 0.000 0.840 277 D CB 1.295 42.032 40.800 -0.105 0.000 1.060 277 D HN 0.140 nan 8.370 nan 0.000 0.502 278 D N 2.109 122.472 120.400 -0.062 0.000 2.378 278 D HA -0.085 4.555 4.640 -0.001 0.000 0.227 278 D C 0.191 176.443 176.300 -0.080 0.000 1.012 278 D CA 0.351 54.320 54.000 -0.052 0.000 0.905 278 D CB -0.009 40.771 40.800 -0.034 0.000 0.895 278 D HN 0.213 nan 8.370 nan 0.000 0.532 279 Q N 0.940 120.682 119.800 -0.096 0.000 2.304 279 Q HA 0.332 4.672 4.340 -0.001 0.000 0.270 279 Q C -1.514 174.406 176.000 -0.132 0.000 1.035 279 Q CA -0.673 55.058 55.803 -0.120 0.000 0.781 279 Q CB 1.572 30.250 28.738 -0.100 0.000 1.261 279 Q HN 0.033 nan 8.270 nan 0.000 0.444 280 K N 2.703 122.994 120.400 -0.182 0.000 2.471 280 K HA 0.421 4.740 4.320 -0.001 0.000 0.252 280 K C -0.976 175.529 176.600 -0.159 0.000 0.938 280 K CA -0.731 55.449 56.287 -0.178 0.000 0.796 280 K CB 1.565 33.894 32.500 -0.284 0.000 1.161 280 K HN 0.509 nan 8.250 nan 0.000 0.425 281 E N 4.966 125.119 120.200 -0.078 0.000 1.814 281 E HA 0.115 4.464 4.350 -0.001 0.000 0.264 281 E C 0.727 177.313 176.600 -0.022 0.000 1.179 281 E CA -0.233 56.130 56.400 -0.061 0.000 0.972 281 E CB 0.009 29.685 29.700 -0.039 0.000 1.077 281 E HN 0.471 nan 8.360 nan 0.000 0.417 282 M N 1.267 120.839 119.600 -0.047 0.000 1.893 282 M HA -0.057 4.422 4.480 -0.001 0.000 0.181 282 M C 0.662 177.002 176.300 0.066 0.000 1.183 282 M CA 1.081 56.392 55.300 0.019 0.000 0.790 282 M CB -0.196 32.410 32.600 0.010 0.000 1.073 282 M HN 0.395 nan 8.290 nan 0.000 0.295 283 M N 0.267 119.939 119.600 0.121 0.000 2.518 283 M HA 0.277 4.756 4.480 -0.001 0.000 0.300 283 M C -0.237 176.154 176.300 0.151 0.000 1.175 283 M CA -0.852 54.535 55.300 0.146 0.000 0.890 283 M CB 2.552 35.283 32.600 0.219 0.000 1.710 283 M HN 0.502 nan 8.290 nan 0.000 0.453 284 Q N -0.162 119.714 119.800 0.125 0.000 2.185 284 Q HA 0.472 4.811 4.340 -0.001 0.000 0.225 284 Q C -0.268 175.819 176.000 0.146 0.000 0.983 284 Q CA -0.270 55.609 55.803 0.127 0.000 0.950 284 Q CB 0.418 29.211 28.738 0.091 0.000 1.176 284 Q HN 0.880 nan 8.270 nan 0.000 0.510 285 T N -1.332 113.302 114.554 0.133 0.000 4.096 285 T HA -0.139 4.210 4.350 -0.001 0.000 0.343 285 T C -0.076 174.750 174.700 0.210 0.000 0.756 285 T CA 0.940 63.120 62.100 0.134 0.000 1.914 285 T CB -2.112 66.815 68.868 0.098 0.000 1.873 285 T HN 0.888 nan 8.240 nan 0.000 0.850 286 A N 1.079 124.059 122.820 0.267 0.000 2.279 286 A HA 0.715 5.035 4.320 -0.001 0.000 0.306 286 A C 0.638 178.389 177.584 0.277 0.000 1.300 286 A CA -0.590 51.709 52.037 0.437 0.000 0.925 286 A CB 0.119 19.396 19.000 0.462 0.000 1.152 286 A HN 0.566 nan 8.150 nan 0.000 0.544 287 M N 3.202 122.996 119.600 0.323 0.000 2.408 287 M HA 0.000 4.480 4.480 -0.001 0.000 0.363 287 M C 0.918 177.226 176.300 0.012 0.000 1.636 287 M CA 0.638 56.026 55.300 0.147 0.000 1.029 287 M CB 0.024 32.723 32.600 0.165 0.000 2.068 287 M HN 0.812 nan 8.290 nan 0.000 0.466 288 Q N 2.671 122.420 119.800 -0.084 0.000 2.317 288 Q HA 0.342 4.681 4.340 -0.001 0.000 0.229 288 Q C -0.484 175.341 176.000 -0.291 0.000 0.984 288 Q CA -1.156 54.458 55.803 -0.316 0.000 0.911 288 Q CB 0.428 28.924 28.738 -0.404 0.000 1.217 288 Q HN 0.602 nan 8.270 nan 0.000 0.501 289 N N 0.288 118.718 118.700 -0.449 0.000 2.557 289 N HA -0.162 4.577 4.740 -0.001 0.000 0.295 289 N C -0.777 174.671 175.510 -0.104 0.000 1.468 289 N CA 1.196 54.098 53.050 -0.247 0.000 0.805 289 N CB -0.707 37.654 38.487 -0.211 0.000 1.019 289 N HN 0.821 nan 8.380 nan 0.000 0.478 290 T N 2.123 116.642 114.554 -0.059 0.000 3.262 290 T HA 0.268 4.618 4.350 -0.001 0.000 0.300 290 T C 0.180 174.872 174.700 -0.013 0.000 0.959 290 T CA -0.306 61.780 62.100 -0.023 0.000 0.936 290 T CB -0.075 68.791 68.868 -0.005 0.000 1.169 290 T HN 0.571 nan 8.240 nan 0.000 0.532 291 M N 2.224 121.817 119.600 -0.012 0.000 4.042 291 M HA -0.135 4.344 4.480 -0.001 0.000 0.157 291 M C -0.265 176.030 176.300 -0.009 0.000 1.531 291 M CA -0.141 55.159 55.300 0.001 0.000 1.095 291 M CB -0.260 32.343 32.600 0.006 0.000 1.346 291 M HN 0.155 nan 8.290 nan 0.000 0.197 292 L N 5.836 127.051 121.223 -0.012 0.000 2.640 292 L HA 0.160 4.499 4.340 -0.001 0.000 0.280 292 L C -0.315 176.528 176.870 -0.044 0.000 1.229 292 L CA 1.361 56.180 54.840 -0.035 0.000 0.919 292 L CB 0.050 42.074 42.059 -0.058 0.000 1.168 292 L HN 0.627 nan 8.230 nan 0.000 0.496 293 I N 6.286 126.829 120.570 -0.046 0.000 2.493 293 I HA 0.205 4.375 4.170 -0.001 0.000 0.279 293 I C 0.443 176.527 176.117 -0.055 0.000 1.045 293 I CA -0.463 60.811 61.300 -0.044 0.000 1.106 293 I CB 0.738 38.721 38.000 -0.027 0.000 1.216 293 I HN 0.726 nan 8.210 nan 0.000 0.459 294 N N 5.445 124.103 118.700 -0.070 0.000 2.648 294 N HA -0.185 4.554 4.740 -0.001 0.000 0.265 294 N C 0.845 176.295 175.510 -0.100 0.000 1.100 294 N CA 1.024 54.024 53.050 -0.082 0.000 0.715 294 N CB -0.266 38.186 38.487 -0.058 0.000 0.881 294 N HN 1.177 nan 8.380 nan 0.000 0.548 295 G N -0.137 108.579 108.800 -0.139 0.000 2.175 295 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.265 295 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.265 295 G C 0.236 175.072 174.900 -0.106 0.000 0.979 295 G CA 0.976 45.985 45.100 -0.151 0.000 0.663 295 G HN 0.651 nan 8.290 nan 0.000 0.533 296 I N -2.281 118.239 120.570 -0.083 0.000 3.434 296 I HA 0.862 5.032 4.170 -0.001 0.000 0.317 296 I C 0.209 176.301 176.117 -0.042 0.000 1.230 296 I CA -0.550 60.716 61.300 -0.057 0.000 0.918 296 I CB 1.148 39.120 38.000 -0.047 0.000 1.337 296 I HN 1.089 nan 8.210 nan 0.000 0.482 297 A N 0.838 123.643 122.820 -0.025 0.000 2.526 297 A HA 0.775 5.094 4.320 -0.001 0.000 0.306 297 A C -1.816 175.768 177.584 0.000 0.000 1.088 297 A CA -0.424 51.606 52.037 -0.013 0.000 0.600 297 A CB 2.160 21.154 19.000 -0.010 0.000 1.423 297 A HN 0.748 nan 8.150 nan 0.000 0.582 298 Q N -1.970 117.838 119.800 0.013 0.000 2.804 298 Q HA 0.603 4.943 4.340 -0.001 0.000 0.302 298 Q C -1.565 174.466 176.000 0.051 0.000 0.885 298 Q CA -0.385 55.437 55.803 0.031 0.000 0.759 298 Q CB 2.530 31.281 28.738 0.021 0.000 1.465 298 Q HN 1.813 nan 8.270 nan 0.000 0.432 299 V N -2.932 117.029 119.914 0.079 0.000 3.258 299 V HA 0.895 5.015 4.120 -0.001 0.000 0.298 299 V C -1.403 174.770 176.094 0.132 0.000 1.489 299 V CA -0.724 61.640 62.300 0.105 0.000 1.062 299 V CB 1.679 33.587 31.823 0.142 0.000 1.116 299 V HN 0.943 nan 8.190 nan 0.000 0.464 300 T N -0.929 113.713 114.554 0.146 0.000 3.071 300 T HA 0.688 5.037 4.350 -0.001 0.000 0.311 300 T C -1.317 173.493 174.700 0.184 0.000 1.042 300 T CA -0.049 62.148 62.100 0.162 0.000 1.028 300 T CB 1.607 70.527 68.868 0.086 0.000 1.068 300 T HN 1.738 nan 8.240 nan 0.000 0.451 301 F N 3.304 123.264 119.950 0.017 0.000 2.363 301 F HA 0.412 4.938 4.527 -0.001 0.000 0.366 301 F C 0.060 175.788 175.800 -0.119 0.000 1.083 301 F CA -1.051 56.887 58.000 -0.103 0.000 1.176 301 F CB 0.505 39.356 39.000 -0.248 0.000 1.432 301 F HN 0.689 nan 8.300 nan 0.000 0.482 302 D N 3.311 123.477 120.400 -0.390 0.000 2.503 302 D HA -0.085 4.555 4.640 -0.001 0.000 0.280 302 D C 0.904 176.720 176.300 -0.807 0.000 1.405 302 D CA 0.675 54.400 54.000 -0.459 0.000 1.049 302 D CB 0.876 41.508 40.800 -0.281 0.000 1.127 302 D HN 0.529 nan 8.370 nan 0.000 0.551 303 S N 3.091 118.255 115.700 -0.894 0.000 2.419 303 S HA -0.163 4.306 4.470 -0.001 0.000 0.233 303 S C 1.527 175.685 174.600 -0.737 0.000 1.016 303 S CA 0.616 58.252 58.200 -0.939 0.000 0.974 303 S CB -0.017 62.886 63.200 -0.496 0.000 0.786 303 S HN 0.625 nan 8.310 nan 0.000 0.492 304 E N 1.038 120.752 120.200 -0.811 0.000 2.002 304 E HA -0.182 4.168 4.350 -0.001 0.000 0.213 304 E C 1.997 178.421 176.600 -0.293 0.000 1.024 304 E CA 1.885 57.956 56.400 -0.548 0.000 0.876 304 E CB -0.436 29.031 29.700 -0.389 0.000 0.799 304 E HN 0.425 nan 8.360 nan 0.000 0.497 305 T N 1.125 115.532 114.554 -0.245 0.000 2.176 305 T HA -0.322 4.027 4.350 -0.001 0.000 0.197 305 T C 1.290 175.904 174.700 -0.143 0.000 1.683 305 T CA 1.772 63.775 62.100 -0.162 0.000 1.094 305 T CB -0.834 67.933 68.868 -0.168 0.000 0.846 305 T HN 0.427 nan 8.240 nan 0.000 0.404 306 A N 0.869 123.571 122.820 -0.197 0.000 2.849 306 A HA 0.388 4.707 4.320 -0.001 0.000 0.246 306 A C 1.076 178.666 177.584 0.010 0.000 1.820 306 A CA 0.181 52.180 52.037 -0.064 0.000 1.512 306 A CB -0.787 18.218 19.000 0.009 0.000 0.884 306 A HN 0.471 nan 8.150 nan 0.000 0.626 307 V N -1.425 118.499 119.914 0.015 0.000 3.034 307 V HA -0.083 4.036 4.120 -0.001 0.000 0.243 307 V C 1.870 178.017 176.094 0.088 0.000 1.717 307 V CA 0.702 63.060 62.300 0.096 0.000 1.035 307 V CB -0.677 31.232 31.823 0.144 0.000 0.973 307 V HN 0.580 nan 8.190 nan 0.000 0.404 308 K N 1.156 121.587 120.400 0.052 0.000 1.975 308 K HA -0.299 4.020 4.320 -0.001 0.000 0.225 308 K C 1.862 178.481 176.600 0.032 0.000 1.050 308 K CA 2.499 58.818 56.287 0.053 0.000 0.992 308 K CB -0.191 32.326 32.500 0.030 0.000 0.738 308 K HN 0.387 nan 8.250 nan 0.000 0.446 309 E N 1.113 121.323 120.200 0.016 0.000 2.472 309 E HA -0.083 4.266 4.350 -0.001 0.000 0.200 309 E C 1.367 177.963 176.600 -0.007 0.000 1.046 309 E CA 0.617 57.019 56.400 0.003 0.000 0.871 309 E CB -0.031 29.672 29.700 0.004 0.000 0.806 309 E HN 0.285 nan 8.360 nan 0.000 0.533 310 L N -0.756 120.473 121.223 0.011 0.000 2.592 310 L HA 0.297 4.636 4.340 -0.001 0.000 0.227 310 L C 0.260 177.125 176.870 -0.008 0.000 1.127 310 L CA -0.112 54.737 54.840 0.016 0.000 0.884 310 L CB 0.023 42.116 42.059 0.057 0.000 1.065 310 L HN -0.069 nan 8.230 nan 0.000 0.457 311 S N -3.141 112.531 115.700 -0.046 0.000 2.663 311 S HA 0.164 4.633 4.470 -0.001 0.000 0.264 311 S C -0.204 174.250 174.600 -0.244 0.000 1.112 311 S CA -0.707 57.388 58.200 -0.174 0.000 0.823 311 S CB 0.326 63.455 63.200 -0.119 0.000 1.111 311 S HN 0.014 nan 8.310 nan 0.000 0.476 312 Y N 0.271 120.259 120.300 -0.519 0.000 2.797 312 Y HA -0.076 4.473 4.550 -0.001 0.000 0.307 312 Y C -0.257 175.386 175.900 -0.428 0.000 1.168 312 Y CA 0.684 58.505 58.100 -0.465 0.000 1.388 312 Y CB -0.152 38.035 38.460 -0.456 0.000 0.985 312 Y HN 0.381 nan 8.280 nan 0.000 0.545 313 Y N -1.005 119.376 120.300 0.135 0.000 2.417 313 Y HA 0.206 4.755 4.550 -0.001 0.000 0.336 313 Y C 0.919 176.861 175.900 0.071 0.000 0.961 313 Y CA -0.701 57.449 58.100 0.083 0.000 1.215 313 Y CB 0.972 39.459 38.460 0.045 0.000 1.120 313 Y HN -0.068 nan 8.280 nan 0.000 0.499 314 S N 1.485 117.300 115.700 0.193 0.000 2.520 314 S HA 0.300 4.769 4.470 -0.001 0.000 0.219 314 S C -0.008 174.689 174.600 0.161 0.000 1.028 314 S CA -0.216 58.068 58.200 0.140 0.000 0.921 314 S CB 0.359 63.616 63.200 0.095 0.000 0.844 314 S HN 0.533 nan 8.310 nan 0.000 0.495 315 L N 2.035 123.368 121.223 0.184 0.000 2.334 315 L HA 0.461 4.801 4.340 -0.001 0.000 0.275 315 L C 1.672 178.690 176.870 0.246 0.000 1.036 315 L CA -0.476 54.474 54.840 0.182 0.000 0.807 315 L CB 1.442 43.573 42.059 0.121 0.000 1.231 315 L HN 0.070 nan 8.230 nan 0.000 0.438 316 E N 1.113 121.449 120.200 0.226 0.000 2.072 316 E HA -0.233 4.117 4.350 -0.001 0.000 0.191 316 E C 1.072 177.670 176.600 -0.003 0.000 0.985 316 E CA 1.485 57.932 56.400 0.077 0.000 0.801 316 E CB 0.224 29.670 29.700 -0.424 0.000 0.750 316 E HN 0.764 nan 8.360 nan 0.000 0.452 317 D N 0.285 120.685 120.400 -0.001 0.000 2.317 317 D HA -0.106 4.534 4.640 -0.001 0.000 0.211 317 D C 1.900 178.225 176.300 0.040 0.000 0.966 317 D CA 0.178 54.179 54.000 0.002 0.000 0.876 317 D CB -0.210 40.581 40.800 -0.014 0.000 0.927 317 D HN 0.216 nan 8.370 nan 0.000 0.519 318 L N -0.186 121.083 121.223 0.078 0.000 2.599 318 L HA 0.073 4.412 4.340 -0.001 0.000 0.230 318 L C 0.302 177.225 176.870 0.089 0.000 1.141 318 L CA -0.036 54.865 54.840 0.101 0.000 0.877 318 L CB -0.070 42.076 42.059 0.145 0.000 1.009 318 L HN -0.064 nan 8.230 nan 0.000 0.447 319 N N -0.455 118.273 118.700 0.046 0.000 2.319 319 N HA 0.292 5.031 4.740 -0.001 0.000 0.305 319 N C -0.310 175.212 175.510 0.019 0.000 1.103 319 N CA -0.361 52.653 53.050 -0.060 0.000 0.815 319 N CB 1.031 39.430 38.487 -0.148 0.000 1.288 319 N HN -0.087 nan 8.380 nan 0.000 0.493 320 N N 0.683 119.391 118.700 0.014 0.000 1.975 320 N HA -0.002 4.737 4.740 -0.001 0.000 0.220 320 N C -0.797 174.796 175.510 0.137 0.000 1.413 320 N CA 0.039 53.146 53.050 0.095 0.000 0.722 320 N CB 0.906 39.444 38.487 0.086 0.000 1.151 320 N HN 0.643 nan 8.380 nan 0.000 0.557 321 K N -0.366 120.080 120.400 0.078 0.000 2.762 321 K HA 0.383 4.702 4.320 -0.001 0.000 0.292 321 K C -0.174 176.646 176.600 0.367 0.000 1.008 321 K CA -0.472 55.942 56.287 0.211 0.000 1.142 321 K CB 0.502 33.002 32.500 -0.000 0.000 1.490 321 K HN -0.112 nan 8.250 nan 0.000 0.581 322 Y N -0.865 119.369 120.300 -0.110 0.000 2.593 322 Y HA 0.451 5.001 4.550 -0.001 0.000 0.330 322 Y C -0.096 175.751 175.900 -0.089 0.000 1.223 322 Y CA -1.536 56.531 58.100 -0.056 0.000 1.350 322 Y CB 1.342 39.792 38.460 -0.017 0.000 1.499 322 Y HN 0.114 nan 8.280 nan 0.000 0.554 323 L N 2.347 123.668 121.223 0.163 0.000 2.471 323 L HA 0.282 4.622 4.340 -0.001 0.000 0.263 323 L C -1.856 175.111 176.870 0.161 0.000 0.985 323 L CA -0.473 54.452 54.840 0.141 0.000 0.868 323 L CB 0.816 43.008 42.059 0.222 0.000 1.203 323 L HN 0.722 nan 8.230 nan 0.000 0.429 324 Y N 5.953 126.291 120.300 0.064 0.000 2.313 324 Y HA 0.655 5.204 4.550 -0.001 0.000 0.332 324 Y C -0.626 175.297 175.900 0.038 0.000 1.071 324 Y CA -0.497 57.631 58.100 0.048 0.000 1.169 324 Y CB 1.116 39.599 38.460 0.040 0.000 1.192 324 Y HN 0.483 nan 8.280 nan 0.000 0.487 325 I N 5.561 125.803 120.570 -0.546 0.000 2.689 325 I HA 0.810 4.980 4.170 -0.001 0.000 0.299 325 I C -0.916 174.741 176.117 -0.768 0.000 1.059 325 I CA -1.268 59.746 61.300 -0.475 0.000 1.055 325 I CB 2.040 39.912 38.000 -0.214 0.000 1.243 325 I HN 0.772 nan 8.210 nan 0.000 0.425 326 A N 4.553 127.083 122.820 -0.483 0.000 2.513 326 A HA 0.744 5.063 4.320 -0.001 0.000 0.296 326 A C -1.236 176.223 177.584 -0.209 0.000 1.052 326 A CA -0.461 51.391 52.037 -0.308 0.000 0.714 326 A CB 1.518 20.418 19.000 -0.167 0.000 1.279 326 A HN 0.372 nan 8.150 nan 0.000 0.397 327 V N 0.706 120.541 119.914 -0.132 0.000 2.975 327 V HA 0.865 4.984 4.120 -0.001 0.000 0.318 327 V C 0.156 176.248 176.094 -0.003 0.000 1.077 327 V CA -0.532 61.728 62.300 -0.068 0.000 1.000 327 V CB 2.129 33.927 31.823 -0.041 0.000 1.066 327 V HN 0.940 nan 8.190 nan 0.000 0.452 328 T N 1.320 115.908 114.554 0.057 0.000 2.928 328 T HA 0.521 4.870 4.350 -0.001 0.000 0.296 328 T C -0.892 173.893 174.700 0.142 0.000 1.000 328 T CA -0.330 61.816 62.100 0.076 0.000 0.989 328 T CB 1.625 70.515 68.868 0.038 0.000 1.005 328 T HN 0.375 nan 8.240 nan 0.000 0.442 329 V N 5.283 125.306 119.914 0.180 0.000 2.276 329 V HA 0.367 4.487 4.120 -0.001 0.000 0.268 329 V C 0.366 176.679 176.094 0.365 0.000 1.032 329 V CA -0.941 61.502 62.300 0.239 0.000 0.810 329 V CB 0.264 32.226 31.823 0.232 0.000 1.060 329 V HN 0.855 nan 8.190 nan 0.000 0.446 330 I N 0.361 121.079 120.570 0.247 0.000 2.471 330 I HA 0.474 4.644 4.170 -0.001 0.000 0.286 330 I C 0.499 176.742 176.117 0.209 0.000 1.079 330 I CA -0.078 61.378 61.300 0.260 0.000 1.398 330 I CB 0.863 38.923 38.000 0.100 0.000 1.403 330 I HN 0.672 nan 8.210 nan 0.000 0.530 331 E N 4.833 125.205 120.200 0.287 0.000 2.384 331 E HA -0.026 4.324 4.350 -0.001 0.000 0.266 331 E C 0.586 177.225 176.600 0.066 0.000 1.012 331 E CA -0.051 56.417 56.400 0.114 0.000 0.901 331 E CB 1.344 31.163 29.700 0.199 0.000 0.967 331 E HN 0.835 nan 8.360 nan 0.000 0.435 332 S N 2.714 118.426 115.700 0.020 0.000 2.387 332 S HA -0.163 4.307 4.470 -0.001 0.000 0.226 332 S C 1.894 176.488 174.600 -0.011 0.000 1.026 332 S CA 1.901 60.101 58.200 -0.000 0.000 0.972 332 S CB -0.321 62.885 63.200 0.008 0.000 0.814 332 S HN 0.770 nan 8.310 nan 0.000 0.477 333 T N -0.305 114.245 114.554 -0.006 0.000 2.668 333 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 333 T C 1.952 176.572 174.700 -0.132 0.000 1.051 333 T CA 1.784 63.848 62.100 -0.061 0.000 1.155 333 T CB -1.245 67.604 68.868 -0.033 0.000 0.864 333 T HN 0.404 nan 8.240 nan 0.000 0.413 334 G N -0.235 108.495 108.800 -0.117 0.000 2.448 334 G HA2 0.332 4.292 3.960 -0.001 0.000 0.218 334 G HA3 0.332 4.292 3.960 -0.001 0.000 0.218 334 G C 1.350 176.113 174.900 -0.228 0.000 1.135 334 G CA 0.400 45.331 45.100 -0.282 0.000 0.784 334 G HN 1.550 nan 8.290 nan 0.000 0.543 335 G N -1.204 107.541 108.800 -0.092 0.000 2.141 335 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.242 335 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.242 335 G C 0.356 175.265 174.900 0.016 0.000 0.982 335 G CA 0.023 45.115 45.100 -0.013 0.000 0.662 335 G HN 0.376 nan 8.290 nan 0.000 0.527 336 F N 0.608 120.562 119.950 0.007 0.000 2.456 336 F HA 0.558 5.084 4.527 -0.001 0.000 0.306 336 F C 1.246 177.095 175.800 0.082 0.000 1.278 336 F CA 0.986 58.948 58.000 -0.062 0.000 1.264 336 F CB 0.986 39.886 39.000 -0.167 0.000 1.253 336 F HN 0.159 nan 8.300 nan 0.000 0.554 337 S N 0.318 116.224 115.700 0.343 0.000 2.546 337 S HA 0.487 4.956 4.470 -0.001 0.000 0.272 337 S C -1.583 173.044 174.600 0.045 0.000 1.140 337 S CA -0.554 57.770 58.200 0.208 0.000 0.920 337 S CB 1.542 64.815 63.200 0.121 0.000 1.083 337 S HN 0.518 nan 8.310 nan 0.000 0.476 338 E N 1.771 121.946 120.200 -0.041 0.000 2.340 338 E HA 0.592 4.941 4.350 -0.001 0.000 0.273 338 E C -1.440 175.121 176.600 -0.066 0.000 0.891 338 E CA -0.452 55.796 56.400 -0.254 0.000 0.757 338 E CB 1.820 31.016 29.700 -0.841 0.000 1.231 338 E HN 0.677 nan 8.360 nan 0.000 0.439 339 E N 0.622 120.770 120.200 -0.087 0.000 2.299 339 E HA 0.891 5.240 4.350 -0.001 0.000 0.265 339 E C -1.427 175.146 176.600 -0.045 0.000 0.911 339 E CA -1.347 55.029 56.400 -0.040 0.000 0.789 339 E CB 2.139 31.815 29.700 -0.040 0.000 1.246 339 E HN 0.431 nan 8.360 nan 0.000 0.427 340 A N 1.962 124.761 122.820 -0.035 0.000 2.555 340 A HA 0.494 4.814 4.320 -0.001 0.000 0.297 340 A C -1.535 176.000 177.584 -0.081 0.000 1.060 340 A CA -0.832 51.177 52.037 -0.046 0.000 0.710 340 A CB 1.311 20.293 19.000 -0.030 0.000 1.282 340 A HN 0.670 nan 8.150 nan 0.000 0.399 341 E N 1.586 121.726 120.200 -0.100 0.000 2.393 341 E HA 0.802 5.151 4.350 -0.001 0.000 0.273 341 E C -1.515 174.963 176.600 -0.203 0.000 0.918 341 E CA -0.881 55.399 56.400 -0.199 0.000 0.773 341 E CB 1.953 31.548 29.700 -0.175 0.000 1.275 341 E HN 0.501 nan 8.360 nan 0.000 0.451 342 I N 2.267 122.638 120.570 -0.332 0.000 2.433 342 I HA 0.261 4.430 4.170 -0.001 0.000 0.292 342 I C -1.960 173.994 176.117 -0.272 0.000 1.001 342 I CA -2.636 58.526 61.300 -0.230 0.000 1.119 342 I CB 1.915 39.817 38.000 -0.163 0.000 1.289 342 I HN 0.458 nan 8.210 nan 0.000 0.438 343 P HA -0.064 nan 4.420 nan 0.000 0.208 343 P C 0.495 177.889 177.300 0.157 0.000 1.195 343 P CA 0.924 64.067 63.100 0.071 0.000 0.927 343 P CB 0.233 31.984 31.700 0.085 0.000 0.778 344 G N -2.117 106.757 108.800 0.124 0.000 2.687 344 G HA2 0.686 4.645 3.960 -0.001 0.000 0.291 344 G HA3 0.686 4.645 3.960 -0.001 0.000 0.291 344 G C -1.826 173.070 174.900 -0.006 0.000 1.420 344 G CA -0.449 44.760 45.100 0.182 0.000 0.796 344 G HN 0.056 nan 8.290 nan 0.000 0.485 345 I N 1.089 121.607 120.570 -0.087 0.000 2.605 345 I HA 0.200 4.370 4.170 -0.001 0.000 0.276 345 I C -0.081 175.849 176.117 -0.312 0.000 1.161 345 I CA -0.546 60.614 61.300 -0.233 0.000 1.064 345 I CB 1.751 39.658 38.000 -0.155 0.000 1.238 345 I HN 0.378 nan 8.210 nan 0.000 0.487 346 K N 5.969 125.939 120.400 -0.718 0.000 2.402 346 K HA 0.098 4.417 4.320 -0.001 0.000 0.279 346 K C -0.613 175.939 176.600 -0.079 0.000 1.082 346 K CA 0.288 56.142 56.287 -0.721 0.000 1.080 346 K CB 0.335 32.313 32.500 -0.871 0.000 0.899 346 K HN 0.384 nan 8.250 nan 0.000 0.469 347 Y N 2.405 122.630 120.300 -0.125 0.000 2.426 347 Y HA 0.091 4.641 4.550 -0.001 0.000 0.344 347 Y C 0.589 176.532 175.900 0.071 0.000 1.256 347 Y CA -0.644 57.464 58.100 0.013 0.000 1.451 347 Y CB 1.016 39.491 38.460 0.025 0.000 1.342 347 Y HN 0.217 nan 8.280 nan 0.000 0.600 348 V N 3.598 123.622 119.914 0.183 0.000 3.078 348 V HA 0.111 4.231 4.120 -0.001 0.000 0.311 348 V C 0.259 176.396 176.094 0.072 0.000 1.138 348 V CA -0.870 61.508 62.300 0.130 0.000 1.007 348 V CB 2.023 33.897 31.823 0.086 0.000 1.045 348 V HN 0.777 nan 8.190 nan 0.000 0.432 349 L N 1.244 122.501 121.223 0.056 0.000 2.121 349 L HA 0.372 4.712 4.340 -0.001 0.000 0.200 349 L C 0.792 177.679 176.870 0.027 0.000 1.077 349 L CA 1.535 56.384 54.840 0.016 0.000 0.766 349 L CB 0.997 43.062 42.059 0.010 0.000 0.931 349 L HN 0.728 nan 8.230 nan 0.000 0.452 350 S N -0.623 115.102 115.700 0.042 0.000 2.733 350 S HA 0.436 4.905 4.470 -0.001 0.000 0.294 350 S C -2.133 172.511 174.600 0.073 0.000 1.149 350 S CA -1.103 57.140 58.200 0.070 0.000 1.034 350 S CB 1.629 64.864 63.200 0.058 0.000 1.015 350 S HN -0.019 nan 8.310 nan 0.000 0.486 351 P HA 0.043 nan 4.420 nan 0.000 0.234 351 P C -0.837 176.313 177.300 -0.249 0.000 1.162 351 P CA 1.018 64.017 63.100 -0.168 0.000 0.759 351 P CB -0.236 31.307 31.700 -0.263 0.000 0.813 352 Y N 0.165 120.444 120.300 -0.035 0.000 2.562 352 Y HA 0.494 5.043 4.550 -0.001 0.000 0.343 352 Y C 0.778 176.672 175.900 -0.010 0.000 1.025 352 Y CA -1.088 56.997 58.100 -0.025 0.000 1.082 352 Y CB 1.960 40.411 38.460 -0.016 0.000 1.264 352 Y HN -0.320 nan 8.280 nan 0.000 0.478 353 K N 2.505 123.009 120.400 0.174 0.000 2.656 353 K HA 0.393 4.712 4.320 -0.001 0.000 0.253 353 K C -1.703 174.957 176.600 0.101 0.000 1.002 353 K CA -0.594 55.758 56.287 0.109 0.000 0.880 353 K CB 1.113 33.659 32.500 0.077 0.000 1.232 353 K HN 0.477 nan 8.250 nan 0.000 0.456 354 L N 2.552 123.830 121.223 0.092 0.000 2.472 354 L HA 0.338 4.677 4.340 -0.001 0.000 0.260 354 L C 0.307 177.235 176.870 0.098 0.000 1.209 354 L CA -0.147 54.743 54.840 0.083 0.000 0.817 354 L CB -0.078 42.030 42.059 0.082 0.000 1.106 354 L HN 0.919 nan 8.230 nan 0.000 0.479 355 N N 0.832 119.579 118.700 0.077 0.000 2.648 355 N HA 0.216 4.955 4.740 -0.001 0.000 0.272 355 N C -1.028 174.488 175.510 0.011 0.000 1.118 355 N CA -0.666 52.439 53.050 0.092 0.000 0.973 355 N CB 1.203 39.739 38.487 0.082 0.000 1.565 355 N HN 0.473 nan 8.380 nan 0.000 0.542 356 L N 0.756 121.933 121.223 -0.076 0.000 2.535 356 L HA -0.010 4.329 4.340 -0.001 0.000 0.301 356 L C -0.086 176.735 176.870 -0.082 0.000 1.275 356 L CA 0.415 55.139 54.840 -0.194 0.000 0.843 356 L CB 0.176 42.003 42.059 -0.386 0.000 1.094 356 L HN 0.394 nan 8.230 nan 0.000 0.532 357 V N 1.460 121.332 119.914 -0.071 0.000 2.612 357 V HA 0.377 4.496 4.120 -0.001 0.000 0.301 357 V C 0.346 176.459 176.094 0.032 0.000 1.059 357 V CA -0.435 61.862 62.300 -0.006 0.000 0.886 357 V CB 1.466 33.291 31.823 0.003 0.000 1.007 357 V HN 0.962 nan 8.190 nan 0.000 0.426 358 A N 3.688 126.575 122.820 0.113 0.000 2.462 358 A HA -0.138 4.181 4.320 -0.001 0.000 0.294 358 A C 0.622 178.291 177.584 0.140 0.000 1.461 358 A CA 1.397 53.560 52.037 0.211 0.000 0.765 358 A CB -1.537 17.634 19.000 0.285 0.000 1.071 358 A HN 1.750 nan 8.150 nan 0.000 0.401 359 T N -1.452 113.136 114.554 0.058 0.000 3.305 359 T HA 0.562 4.911 4.350 -0.001 0.000 0.348 359 T C -2.344 172.362 174.700 0.010 0.000 1.394 359 T CA -1.474 60.619 62.100 -0.011 0.000 1.549 359 T CB 1.225 70.013 68.868 -0.134 0.000 0.962 359 T HN 0.215 nan 8.240 nan 0.000 0.609 360 P HA 0.044 nan 4.420 nan 0.000 0.266 360 P C -0.158 177.149 177.300 0.011 0.000 1.180 360 P CA -0.285 62.849 63.100 0.056 0.000 0.765 360 P CB 0.436 32.217 31.700 0.135 0.000 0.806 361 L N 3.002 124.018 121.223 -0.345 0.000 3.036 361 L HA 0.326 4.665 4.340 -0.001 0.000 0.237 361 L C -0.415 175.817 176.870 -1.063 0.000 1.319 361 L CA 0.503 55.036 54.840 -0.513 0.000 1.112 361 L CB -1.100 40.689 42.059 -0.449 0.000 1.480 361 L HN 0.223 nan 8.230 nan 0.000 0.506 362 F N 0.457 120.369 119.950 -0.062 0.000 2.536 362 F HA 0.543 5.069 4.527 -0.001 0.000 0.322 362 F C -0.339 175.319 175.800 -0.237 0.000 1.144 362 F CA -1.403 56.505 58.000 -0.154 0.000 0.924 362 F CB 1.255 40.211 39.000 -0.073 0.000 1.181 362 F HN -0.177 nan 8.300 nan 0.000 0.438 363 L N 1.357 122.417 121.223 -0.271 0.000 2.261 363 L HA 0.633 4.973 4.340 -0.001 0.000 0.289 363 L C -0.330 176.441 176.870 -0.165 0.000 1.059 363 L CA -0.978 53.665 54.840 -0.328 0.000 0.816 363 L CB -0.060 41.666 42.059 -0.555 0.000 1.191 363 L HN 0.278 nan 8.230 nan 0.000 0.431 364 K N 3.634 123.966 120.400 -0.113 0.000 2.440 364 K HA 0.289 4.608 4.320 -0.001 0.000 0.270 364 K C -2.220 174.270 176.600 -0.184 0.000 0.980 364 K CA -1.004 55.172 56.287 -0.184 0.000 0.953 364 K CB -0.351 32.134 32.500 -0.024 0.000 0.925 364 K HN 0.418 nan 8.250 nan 0.000 0.497 365 P HA 0.200 nan 4.420 nan 0.000 0.278 365 P C 0.689 178.025 177.300 0.061 0.000 1.258 365 P CA -0.126 62.906 63.100 -0.113 0.000 0.811 365 P CB 1.124 32.745 31.700 -0.132 0.000 1.063 366 G N 0.699 109.546 108.800 0.079 0.000 2.674 366 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.236 366 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.236 366 G C 0.430 175.402 174.900 0.120 0.000 1.178 366 G CA 0.110 45.276 45.100 0.110 0.000 0.721 366 G HN 0.518 nan 8.290 nan 0.000 0.515 367 I N 3.511 124.167 120.570 0.144 0.000 2.892 367 I HA 0.234 4.404 4.170 -0.001 0.000 0.287 367 I C -1.687 174.530 176.117 0.166 0.000 1.205 367 I CA -1.460 59.953 61.300 0.188 0.000 1.409 367 I CB 0.761 38.940 38.000 0.297 0.000 1.367 367 I HN 0.069 nan 8.210 nan 0.000 0.597 368 P HA 0.122 nan 4.420 nan 0.000 0.290 368 P C -1.194 176.248 177.300 0.237 0.000 1.276 368 P CA -0.237 62.970 63.100 0.178 0.000 0.808 368 P CB 0.429 32.210 31.700 0.136 0.000 0.966 369 Y N 5.361 125.691 120.300 0.051 0.000 2.365 369 Y HA 0.340 4.889 4.550 -0.001 0.000 0.340 369 Y C -2.276 173.644 175.900 0.033 0.000 1.016 369 Y CA -3.050 55.064 58.100 0.023 0.000 1.196 369 Y CB 0.486 38.964 38.460 0.031 0.000 1.167 369 Y HN 0.287 nan 8.280 nan 0.000 0.509 370 P HA 0.289 nan 4.420 nan 0.000 0.283 370 P C -0.878 176.141 177.300 -0.468 0.000 1.412 370 P CA 0.220 63.163 63.100 -0.262 0.000 0.912 370 P CB 0.002 31.650 31.700 -0.087 0.000 1.132 371 I N 3.672 124.016 120.570 -0.377 0.000 2.310 371 I HA 0.256 4.426 4.170 -0.001 0.000 0.287 371 I C 0.411 176.430 176.117 -0.162 0.000 1.073 371 I CA -0.518 60.536 61.300 -0.410 0.000 1.216 371 I CB 0.554 38.176 38.000 -0.629 0.000 1.415 371 I HN 0.036 nan 8.210 nan 0.000 0.480 372 K N 6.278 126.584 120.400 -0.157 0.000 2.291 372 K HA 0.321 4.641 4.320 -0.001 0.000 0.242 372 K C 0.014 176.567 176.600 -0.080 0.000 1.098 372 K CA -0.390 55.854 56.287 -0.072 0.000 1.036 372 K CB 1.392 33.845 32.500 -0.078 0.000 1.655 372 K HN 0.529 nan 8.250 nan 0.000 0.432 373 V N 1.260 121.144 119.914 -0.050 0.000 3.441 373 V HA 0.105 4.224 4.120 -0.001 0.000 0.300 373 V C -0.344 175.744 176.094 -0.011 0.000 1.091 373 V CA 0.109 62.376 62.300 -0.055 0.000 1.099 373 V CB 1.345 33.138 31.823 -0.050 0.000 1.138 373 V HN 0.885 nan 8.190 nan 0.000 0.471 374 Q N 2.347 122.147 119.800 0.001 0.000 3.025 374 Q HA 0.397 4.736 4.340 -0.001 0.000 0.216 374 Q C -1.638 174.383 176.000 0.036 0.000 0.828 374 Q CA -0.537 55.274 55.803 0.013 0.000 0.806 374 Q CB 1.566 30.310 28.738 0.009 0.000 1.423 374 Q HN 0.815 nan 8.270 nan 0.000 0.455 375 V N 3.415 123.355 119.914 0.043 0.000 2.872 375 V HA 0.243 4.363 4.120 -0.001 0.000 0.307 375 V C 0.077 176.239 176.094 0.113 0.000 1.072 375 V CA 0.682 63.035 62.300 0.088 0.000 1.148 375 V CB 1.258 33.132 31.823 0.085 0.000 0.954 375 V HN 0.739 nan 8.190 nan 0.000 0.490 376 K N 2.004 122.493 120.400 0.149 0.000 2.499 376 K HA 0.471 4.791 4.320 -0.001 0.000 0.277 376 K C -1.483 175.146 176.600 0.050 0.000 1.025 376 K CA -0.922 55.417 56.287 0.087 0.000 0.900 376 K CB 1.844 34.374 32.500 0.050 0.000 1.494 376 K HN 0.802 nan 8.250 nan 0.000 0.442 377 D N -1.058 119.306 120.400 -0.061 0.000 2.392 377 D HA 0.105 4.744 4.640 -0.001 0.000 0.246 377 D C 0.353 176.543 176.300 -0.183 0.000 1.013 377 D CA -0.629 53.250 54.000 -0.201 0.000 0.993 377 D CB 1.291 41.948 40.800 -0.238 0.000 1.219 377 D HN 0.442 nan 8.370 nan 0.000 0.538 378 S N -0.435 115.079 115.700 -0.311 0.000 2.512 378 S HA -0.161 4.308 4.470 -0.001 0.000 0.253 378 S C 1.457 175.878 174.600 -0.297 0.000 0.984 378 S CA 0.723 58.671 58.200 -0.420 0.000 0.962 378 S CB -0.431 62.206 63.200 -0.939 0.000 0.747 378 S HN 0.529 nan 8.310 nan 0.000 0.525 379 L N 0.414 121.535 121.223 -0.170 0.000 2.966 379 L HA 0.236 4.576 4.340 -0.001 0.000 0.262 379 L C -0.455 176.420 176.870 0.008 0.000 1.165 379 L CA 0.020 54.843 54.840 -0.028 0.000 0.978 379 L CB 0.326 42.359 42.059 -0.043 0.000 1.337 379 L HN 0.021 nan 8.230 nan 0.000 0.563 380 D N 1.106 121.502 120.400 -0.006 0.000 2.835 380 D HA -0.182 4.457 4.640 -0.001 0.000 0.230 380 D C 0.137 176.445 176.300 0.014 0.000 1.130 380 D CA 0.900 54.910 54.000 0.017 0.000 0.738 380 D CB -0.577 40.248 40.800 0.042 0.000 1.090 380 D HN 0.418 nan 8.370 nan 0.000 0.433 381 Q N -0.545 119.254 119.800 -0.002 0.000 2.204 381 Q HA 0.667 5.006 4.340 -0.001 0.000 0.254 381 Q C 0.648 176.652 176.000 0.007 0.000 0.981 381 Q CA -0.706 55.098 55.803 0.002 0.000 0.897 381 Q CB 1.633 30.367 28.738 -0.007 0.000 1.273 381 Q HN 0.185 nan 8.270 nan 0.000 0.464 382 L N 1.068 122.299 121.223 0.013 0.000 2.461 382 L HA 0.346 4.686 4.340 -0.001 0.000 0.272 382 L C -0.378 176.506 176.870 0.023 0.000 1.197 382 L CA -0.425 54.428 54.840 0.022 0.000 0.836 382 L CB 0.633 42.702 42.059 0.016 0.000 1.105 382 L HN 0.387 nan 8.230 nan 0.000 0.477 383 V N 1.977 121.920 119.914 0.048 0.000 2.524 383 V HA 0.751 4.871 4.120 -0.001 0.000 0.297 383 V C -0.005 176.131 176.094 0.071 0.000 1.035 383 V CA -0.192 62.146 62.300 0.064 0.000 0.867 383 V CB 1.423 33.304 31.823 0.096 0.000 1.004 383 V HN 0.746 nan 8.190 nan 0.000 0.426 384 G N 3.577 112.400 108.800 0.039 0.000 2.502 384 G HA2 0.594 4.554 3.960 -0.001 0.000 0.305 384 G HA3 0.594 4.554 3.960 -0.001 0.000 0.305 384 G C 0.740 175.650 174.900 0.016 0.000 1.190 384 G CA -0.296 44.813 45.100 0.015 0.000 0.933 384 G HN 2.384 nan 8.290 nan 0.000 0.503 385 G N -1.860 106.932 108.800 -0.013 0.000 2.326 385 G HA2 0.148 4.108 3.960 -0.001 0.000 0.286 385 G HA3 0.148 4.108 3.960 -0.001 0.000 0.286 385 G C -0.239 174.646 174.900 -0.025 0.000 1.096 385 G CA 0.135 45.222 45.100 -0.022 0.000 1.003 385 G HN 1.558 nan 8.290 nan 0.000 0.503 386 V N -1.173 118.710 119.914 -0.052 0.000 2.888 386 V HA 0.696 4.816 4.120 -0.001 0.000 0.309 386 V C -2.164 173.864 176.094 -0.110 0.000 1.114 386 V CA -2.270 59.974 62.300 -0.093 0.000 0.940 386 V CB 2.447 34.181 31.823 -0.148 0.000 1.021 386 V HN 0.160 nan 8.190 nan 0.000 0.426 387 P HA 0.265 nan 4.420 nan 0.000 0.269 387 P C -0.439 176.813 177.300 -0.080 0.000 1.215 387 P CA 0.044 63.089 63.100 -0.092 0.000 0.780 387 P CB 0.774 32.423 31.700 -0.086 0.000 0.898 388 V N 1.072 120.977 119.914 -0.014 0.000 3.535 388 V HA 0.050 4.169 4.120 -0.001 0.000 0.439 388 V C -0.138 176.057 176.094 0.168 0.000 1.462 388 V CA -0.484 61.858 62.300 0.071 0.000 1.966 388 V CB 0.268 32.181 31.823 0.148 0.000 1.026 388 V HN 0.527 nan 8.190 nan 0.000 0.579 389 T N 2.168 116.760 114.554 0.063 0.000 2.831 389 T HA 0.251 4.600 4.350 -0.001 0.000 0.291 389 T C -0.222 174.474 174.700 -0.007 0.000 0.981 389 T CA 0.283 62.416 62.100 0.055 0.000 1.174 389 T CB 0.985 69.859 68.868 0.009 0.000 0.929 389 T HN 0.245 nan 8.240 nan 0.000 0.532 390 L N 4.191 125.392 121.223 -0.037 0.000 2.297 390 L HA 0.452 4.792 4.340 -0.001 0.000 0.277 390 L C -0.651 176.145 176.870 -0.123 0.000 1.040 390 L CA -0.696 53.988 54.840 -0.261 0.000 0.867 390 L CB -0.001 41.589 42.059 -0.781 0.000 1.244 390 L HN 0.430 nan 8.230 nan 0.000 0.433 391 N N 3.432 122.097 118.700 -0.059 0.000 2.499 391 N HA 0.751 5.491 4.740 -0.001 0.000 0.281 391 N C -0.418 175.117 175.510 0.041 0.000 1.098 391 N CA 0.050 53.097 53.050 -0.004 0.000 0.979 391 N CB 1.623 40.116 38.487 0.010 0.000 1.121 391 N HN 0.717 nan 8.380 nan 0.000 0.466 392 A N 1.099 123.954 122.820 0.058 0.000 2.430 392 A HA 0.746 5.065 4.320 -0.001 0.000 0.300 392 A C -1.119 176.510 177.584 0.076 0.000 1.124 392 A CA -0.528 51.580 52.037 0.119 0.000 0.766 392 A CB 1.793 20.872 19.000 0.132 0.000 1.328 392 A HN 0.498 nan 8.150 nan 0.000 0.424 393 Q N -0.102 119.740 119.800 0.071 0.000 2.435 393 Q HA 0.675 5.014 4.340 -0.001 0.000 0.282 393 Q C -1.639 174.369 176.000 0.014 0.000 1.020 393 Q CA -0.246 55.575 55.803 0.030 0.000 0.820 393 Q CB 2.510 31.256 28.738 0.013 0.000 1.436 393 Q HN 0.863 nan 8.270 nan 0.000 0.395 394 T N 1.508 116.064 114.554 0.004 0.000 2.749 394 T HA 0.666 5.015 4.350 -0.001 0.000 0.310 394 T C -1.388 173.307 174.700 -0.008 0.000 1.496 394 T CA -0.400 61.695 62.100 -0.009 0.000 1.006 394 T CB 1.273 70.142 68.868 0.001 0.000 1.457 394 T HN 0.611 nan 8.240 nan 0.000 0.497 395 I N -1.015 119.546 120.570 -0.014 0.000 3.074 395 I HA 0.822 4.992 4.170 -0.001 0.000 0.310 395 I C -1.061 175.052 176.117 -0.007 0.000 1.153 395 I CA -0.891 60.404 61.300 -0.009 0.000 0.993 395 I CB 2.136 40.130 38.000 -0.011 0.000 1.237 395 I HN 0.385 nan 8.210 nan 0.000 0.443 396 D N 1.597 121.996 120.400 -0.001 0.000 2.383 396 D HA 0.172 4.811 4.640 -0.001 0.000 0.248 396 D C 0.794 177.094 176.300 0.001 0.000 1.170 396 D CA -0.287 53.715 54.000 0.002 0.000 0.977 396 D CB 2.073 42.878 40.800 0.007 0.000 1.120 396 D HN 0.463 nan 8.370 nan 0.000 0.481 397 V N 1.925 121.842 119.914 0.005 0.000 2.626 397 V HA -0.174 3.945 4.120 -0.001 0.000 0.252 397 V C 1.415 177.515 176.094 0.009 0.000 1.067 397 V CA 1.379 63.684 62.300 0.008 0.000 1.081 397 V CB -0.551 31.282 31.823 0.016 0.000 0.686 397 V HN 0.442 nan 8.190 nan 0.000 0.468 398 N N 1.054 119.760 118.700 0.010 0.000 2.617 398 N HA -0.058 4.681 4.740 -0.001 0.000 0.198 398 N C 0.572 176.086 175.510 0.007 0.000 1.317 398 N CA 0.222 53.278 53.050 0.010 0.000 0.892 398 N CB -0.392 38.102 38.487 0.011 0.000 1.041 398 N HN 0.464 nan 8.380 nan 0.000 0.450 399 Q N -0.262 119.541 119.800 0.004 0.000 2.406 399 Q HA -0.255 4.084 4.340 -0.001 0.000 0.339 399 Q C -0.671 175.330 176.000 0.002 0.000 1.337 399 Q CA 0.918 56.721 55.803 0.002 0.000 0.985 399 Q CB -1.728 27.011 28.738 0.002 0.000 1.216 399 Q HN 0.595 nan 8.270 nan 0.000 0.415 400 E N 0.176 120.377 120.200 0.003 0.000 2.191 400 E HA 0.335 4.684 4.350 -0.001 0.000 0.263 400 E C 0.114 176.715 176.600 0.003 0.000 0.881 400 E CA -0.176 56.226 56.400 0.004 0.000 0.757 400 E CB 1.018 30.722 29.700 0.007 0.000 1.147 400 E HN 0.301 nan 8.360 nan 0.000 0.414 401 T N 0.711 115.266 114.554 0.002 0.000 2.754 401 T HA 0.517 4.867 4.350 -0.001 0.000 0.286 401 T C -0.043 174.660 174.700 0.005 0.000 0.997 401 T CA -0.617 61.484 62.100 0.001 0.000 0.982 401 T CB 1.112 69.980 68.868 0.000 0.000 1.027 401 T HN 0.335 nan 8.240 nan 0.000 0.529 402 S N -0.045 115.659 115.700 0.007 0.000 2.649 402 S HA 0.359 4.829 4.470 -0.001 0.000 0.274 402 S C -1.674 172.934 174.600 0.014 0.000 1.176 402 S CA -1.054 57.153 58.200 0.011 0.000 0.988 402 S CB 1.452 64.661 63.200 0.015 0.000 1.071 402 S HN 0.727 nan 8.310 nan 0.000 0.478 403 D N 2.890 123.298 120.400 0.014 0.000 2.347 403 D HA 0.368 5.008 4.640 -0.001 0.000 0.235 403 D C 0.403 176.715 176.300 0.020 0.000 1.149 403 D CA -0.112 53.898 54.000 0.016 0.000 0.850 403 D CB 0.799 41.606 40.800 0.012 0.000 1.061 403 D HN 0.513 nan 8.370 nan 0.000 0.487 404 L N 1.780 123.019 121.223 0.027 0.000 2.464 404 L HA 0.131 4.471 4.340 -0.001 0.000 0.224 404 L C 0.594 177.479 176.870 0.024 0.000 1.219 404 L CA -0.064 54.794 54.840 0.030 0.000 0.831 404 L CB 0.491 42.574 42.059 0.041 0.000 1.284 404 L HN 0.251 nan 8.230 nan 0.000 0.522 405 D N -0.223 120.193 120.400 0.026 0.000 2.375 405 D HA 0.305 4.944 4.640 -0.001 0.000 0.247 405 D C -2.266 174.050 176.300 0.025 0.000 1.061 405 D CA -1.149 52.864 54.000 0.022 0.000 0.834 405 D CB 1.546 42.358 40.800 0.021 0.000 1.247 405 D HN 0.163 nan 8.370 nan 0.000 0.489 406 P HA 0.051 nan 4.420 nan 0.000 0.258 406 P C -0.604 176.722 177.300 0.043 0.000 1.187 406 P CA 0.258 63.373 63.100 0.024 0.000 0.767 406 P CB 0.409 32.119 31.700 0.017 0.000 0.770 407 S N 2.847 118.592 115.700 0.075 0.000 2.608 407 S HA 0.541 5.010 4.470 -0.001 0.000 0.291 407 S C -0.150 174.575 174.600 0.208 0.000 1.146 407 S CA -0.692 57.591 58.200 0.138 0.000 1.043 407 S CB 1.315 64.647 63.200 0.219 0.000 1.037 407 S HN 0.403 nan 8.310 nan 0.000 0.520 408 K N 1.284 121.761 120.400 0.127 0.000 2.601 408 K HA 0.473 4.793 4.320 -0.001 0.000 0.249 408 K C -0.750 175.785 176.600 -0.109 0.000 0.966 408 K CA -0.289 56.044 56.287 0.076 0.000 0.827 408 K CB 1.600 34.111 32.500 0.018 0.000 1.178 408 K HN 0.577 nan 8.250 nan 0.000 0.437 409 S N 2.353 117.872 115.700 -0.302 0.000 2.748 409 S HA 0.734 5.204 4.470 -0.001 0.000 0.299 409 S C -1.033 173.427 174.600 -0.233 0.000 1.119 409 S CA -0.560 57.392 58.200 -0.413 0.000 0.997 409 S CB 1.333 64.055 63.200 -0.796 0.000 1.223 409 S HN 0.345 nan 8.310 nan 0.000 0.541 410 V N 1.036 120.821 119.914 -0.216 0.000 2.971 410 V HA 0.452 4.572 4.120 -0.001 0.000 0.309 410 V C 0.028 176.040 176.094 -0.136 0.000 1.130 410 V CA -0.843 61.372 62.300 -0.142 0.000 0.964 410 V CB 1.754 33.513 31.823 -0.106 0.000 1.029 410 V HN 0.985 nan 8.190 nan 0.000 0.427 411 T N 3.660 118.156 114.554 -0.097 0.000 2.901 411 T HA 0.274 4.624 4.350 -0.001 0.000 0.301 411 T C 0.331 174.990 174.700 -0.069 0.000 1.012 411 T CA -0.077 61.977 62.100 -0.077 0.000 1.135 411 T CB 0.234 69.076 68.868 -0.044 0.000 0.936 411 T HN 0.728 nan 8.240 nan 0.000 0.539 412 R N 2.938 123.394 120.500 -0.074 0.000 2.861 412 R HA 0.128 4.468 4.340 -0.001 0.000 0.268 412 R C 1.172 177.446 176.300 -0.044 0.000 1.027 412 R CA -0.112 55.948 56.100 -0.067 0.000 1.163 412 R CB 0.155 30.410 30.300 -0.075 0.000 1.060 412 R HN 0.642 nan 8.270 nan 0.000 0.483 413 V N 1.536 121.426 119.914 -0.041 0.000 2.500 413 V HA -0.135 3.984 4.120 -0.001 0.000 0.243 413 V C 1.639 177.719 176.094 -0.023 0.000 1.039 413 V CA 1.865 64.149 62.300 -0.028 0.000 1.053 413 V CB -0.509 31.297 31.823 -0.028 0.000 0.695 413 V HN 0.925 nan 8.190 nan 0.000 0.463 414 D N -0.619 119.763 120.400 -0.030 0.000 2.271 414 D HA -0.140 4.500 4.640 -0.001 0.000 0.206 414 D C 1.581 177.866 176.300 -0.026 0.000 0.967 414 D CA 0.931 54.916 54.000 -0.025 0.000 0.867 414 D CB 0.092 40.873 40.800 -0.032 0.000 0.960 414 D HN 0.388 nan 8.370 nan 0.000 0.509 415 D N 0.458 120.835 120.400 -0.038 0.000 2.262 415 D HA 0.028 4.668 4.640 -0.001 0.000 0.212 415 D C 1.832 178.116 176.300 -0.026 0.000 0.964 415 D CA 1.976 55.951 54.000 -0.042 0.000 0.875 415 D CB 0.243 41.003 40.800 -0.066 0.000 0.996 415 D HN 0.332 nan 8.370 nan 0.000 0.497 416 G N 0.286 109.072 108.800 -0.022 0.000 2.184 416 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.264 416 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.264 416 G C 0.255 175.146 174.900 -0.015 0.000 0.975 416 G CA 0.632 45.728 45.100 -0.007 0.000 0.642 416 G HN 0.359 nan 8.290 nan 0.000 0.536 417 V N 0.899 120.791 119.914 -0.036 0.000 2.394 417 V HA 0.717 4.836 4.120 -0.001 0.000 0.282 417 V C 0.657 176.710 176.094 -0.068 0.000 1.031 417 V CA -0.032 62.241 62.300 -0.045 0.000 0.881 417 V CB 1.656 33.443 31.823 -0.059 0.000 0.982 417 V HN 1.049 nan 8.190 nan 0.000 0.451 418 A N 4.190 126.978 122.820 -0.053 0.000 2.736 418 A HA 0.582 4.901 4.320 -0.001 0.000 0.335 418 A C 0.482 177.979 177.584 -0.145 0.000 1.446 418 A CA -0.323 51.647 52.037 -0.113 0.000 1.028 418 A CB -0.131 18.840 19.000 -0.047 0.000 1.154 418 A HN 0.734 nan 8.150 nan 0.000 0.507 419 S N 1.345 116.919 115.700 -0.210 0.000 2.564 419 S HA 0.639 5.109 4.470 -0.001 0.000 0.278 419 S C -0.439 173.971 174.600 -0.316 0.000 1.333 419 S CA 0.250 58.355 58.200 -0.157 0.000 1.048 419 S CB 0.268 63.380 63.200 -0.147 0.000 0.900 419 S HN 0.492 nan 8.310 nan 0.000 0.505 420 F N 0.280 120.129 119.950 -0.169 0.000 2.691 420 F HA 0.771 5.297 4.527 -0.001 0.000 0.334 420 F C -0.158 175.552 175.800 -0.150 0.000 1.107 420 F CA -0.924 56.979 58.000 -0.162 0.000 0.991 420 F CB 1.716 40.590 39.000 -0.210 0.000 1.400 420 F HN 0.238 nan 8.300 nan 0.000 0.503 421 V N 2.100 122.091 119.914 0.127 0.000 2.823 421 V HA 0.376 4.496 4.120 -0.001 0.000 0.296 421 V C -1.733 174.408 176.094 0.078 0.000 1.250 421 V CA -0.719 61.615 62.300 0.057 0.000 0.939 421 V CB 2.127 33.969 31.823 0.033 0.000 1.062 421 V HN 0.518 nan 8.190 nan 0.000 0.433 422 L N 4.156 125.431 121.223 0.086 0.000 2.313 422 L HA 0.656 4.995 4.340 -0.001 0.000 0.283 422 L C 0.075 177.016 176.870 0.119 0.000 1.013 422 L CA -0.768 54.132 54.840 0.099 0.000 0.816 422 L CB 1.058 43.178 42.059 0.101 0.000 1.236 422 L HN 0.501 nan 8.230 nan 0.000 0.419 423 N N 4.622 123.377 118.700 0.092 0.000 2.444 423 N HA 0.465 5.204 4.740 -0.001 0.000 0.271 423 N C -0.984 174.574 175.510 0.081 0.000 1.069 423 N CA -0.318 52.786 53.050 0.090 0.000 0.965 423 N CB 1.981 40.510 38.487 0.070 0.000 1.092 423 N HN 0.540 nan 8.380 nan 0.000 0.476 424 L N 2.808 124.079 121.223 0.081 0.000 2.313 424 L HA 0.352 4.692 4.340 -0.001 0.000 0.283 424 L C -2.110 174.786 176.870 0.043 0.000 1.013 424 L CA -2.022 52.853 54.840 0.058 0.000 0.816 424 L CB 1.884 43.970 42.059 0.046 0.000 1.236 424 L HN 0.208 nan 8.230 nan 0.000 0.419 425 P HA -0.041 nan 4.420 nan 0.000 0.254 425 P C 1.039 178.356 177.300 0.030 0.000 1.467 425 P CA 0.153 63.274 63.100 0.034 0.000 1.281 425 P CB 0.071 31.788 31.700 0.029 0.000 1.754 426 S N 2.190 117.914 115.700 0.039 0.000 2.729 426 S HA -0.345 4.124 4.470 -0.001 0.000 0.344 426 S C 2.032 176.644 174.600 0.021 0.000 1.377 426 S CA 1.948 60.172 58.200 0.039 0.000 1.091 426 S CB -2.063 61.184 63.200 0.079 0.000 1.097 426 S HN 0.473 nan 8.310 nan 0.000 0.450 427 G N 1.292 110.109 108.800 0.027 0.000 2.807 427 G HA2 0.290 4.249 3.960 -0.001 0.000 0.207 427 G HA3 0.290 4.249 3.960 -0.001 0.000 0.207 427 G C 0.438 175.339 174.900 0.002 0.000 1.151 427 G CA 0.414 45.525 45.100 0.019 0.000 0.800 427 G HN 0.610 nan 8.290 nan 0.000 0.523 428 V N -0.122 119.785 119.914 -0.011 0.000 3.546 428 V HA 0.536 4.656 4.120 -0.001 0.000 0.296 428 V C 1.524 177.593 176.094 -0.042 0.000 1.082 428 V CA 1.250 63.535 62.300 -0.025 0.000 1.086 428 V CB 1.776 33.579 31.823 -0.033 0.000 1.174 428 V HN 0.512 nan 8.190 nan 0.000 0.464 429 T N -0.668 113.854 114.554 -0.052 0.000 3.550 429 T HA 0.253 4.603 4.350 -0.001 0.000 0.186 429 T C -0.258 174.406 174.700 -0.059 0.000 0.864 429 T CA 0.372 62.446 62.100 -0.045 0.000 0.981 429 T CB 0.246 69.097 68.868 -0.030 0.000 1.099 429 T HN 0.601 nan 8.240 nan 0.000 0.308 430 V N 2.493 122.367 119.914 -0.066 0.000 2.656 430 V HA 0.653 4.773 4.120 -0.001 0.000 0.307 430 V C -1.077 174.949 176.094 -0.113 0.000 1.051 430 V CA -0.929 61.316 62.300 -0.093 0.000 0.893 430 V CB 1.902 33.679 31.823 -0.076 0.000 0.999 430 V HN 0.642 nan 8.190 nan 0.000 0.426 431 L N 4.367 125.486 121.223 -0.173 0.000 2.298 431 L HA 0.618 4.957 4.340 -0.001 0.000 0.284 431 L C -0.422 176.284 176.870 -0.275 0.000 1.013 431 L CA -0.312 54.431 54.840 -0.161 0.000 0.824 431 L CB 1.310 43.280 42.059 -0.148 0.000 1.221 431 L HN 0.678 nan 8.230 nan 0.000 0.418 432 E N 6.457 126.546 120.200 -0.185 0.000 2.191 432 E HA 0.456 4.806 4.350 -0.001 0.000 0.278 432 E C -1.257 175.287 176.600 -0.093 0.000 0.972 432 E CA -0.393 55.868 56.400 -0.231 0.000 0.804 432 E CB 2.312 31.939 29.700 -0.121 0.000 1.110 432 E HN 0.518 nan 8.360 nan 0.000 0.394 433 F N -0.545 119.414 119.950 0.014 0.000 2.619 433 F HA 0.492 5.018 4.527 -0.001 0.000 0.308 433 F C -0.696 175.109 175.800 0.009 0.000 1.097 433 F CA -1.285 56.713 58.000 -0.004 0.000 0.953 433 F CB 1.540 40.524 39.000 -0.027 0.000 1.287 433 F HN 0.069 nan 8.300 nan 0.000 0.446 434 N N 2.495 121.347 118.700 0.253 0.000 2.408 434 N HA 0.467 5.206 4.740 -0.001 0.000 0.280 434 N C -1.211 174.320 175.510 0.034 0.000 1.002 434 N CA -0.552 52.586 53.050 0.147 0.000 0.907 434 N CB 2.968 41.495 38.487 0.067 0.000 1.161 434 N HN 0.365 nan 8.380 nan 0.000 0.488 435 V N 2.210 122.146 119.914 0.037 0.000 2.713 435 V HA 0.506 4.626 4.120 -0.001 0.000 0.307 435 V C -0.168 175.920 176.094 -0.010 0.000 1.052 435 V CA -0.289 61.977 62.300 -0.058 0.000 0.967 435 V CB 1.519 33.299 31.823 -0.072 0.000 1.019 435 V HN 0.852 nan 8.190 nan 0.000 0.459 436 K N 0.501 120.885 120.400 -0.027 0.000 2.610 436 K HA 0.433 4.752 4.320 -0.001 0.000 0.267 436 K C -0.745 175.823 176.600 -0.053 0.000 0.943 436 K CA -0.573 55.697 56.287 -0.029 0.000 0.862 436 K CB 0.935 33.419 32.500 -0.026 0.000 1.376 436 K HN 0.638 nan 8.250 nan 0.000 0.412 437 T N -0.660 113.836 114.554 -0.096 0.000 2.913 437 T HA 0.266 4.616 4.350 -0.001 0.000 0.297 437 T C -0.207 174.414 174.700 -0.131 0.000 1.029 437 T CA -0.363 61.637 62.100 -0.166 0.000 1.104 437 T CB 0.823 69.484 68.868 -0.346 0.000 0.964 437 T HN 0.600 nan 8.240 nan 0.000 0.532 438 D N 0.977 121.304 120.400 -0.122 0.000 2.788 438 D HA 0.374 5.014 4.640 -0.001 0.000 0.289 438 D C 0.790 177.033 176.300 -0.096 0.000 1.340 438 D CA -0.456 53.491 54.000 -0.089 0.000 0.831 438 D CB -0.031 40.734 40.800 -0.058 0.000 1.103 438 D HN 0.936 nan 8.370 nan 0.000 0.476 439 A N 1.417 124.151 122.820 -0.144 0.000 2.632 439 A HA 0.004 4.324 4.320 -0.001 0.000 0.231 439 A C -1.429 176.125 177.584 -0.049 0.000 1.027 439 A CA -0.149 51.823 52.037 -0.108 0.000 0.759 439 A CB 0.335 19.275 19.000 -0.100 0.000 0.939 439 A HN 0.172 nan 8.150 nan 0.000 0.505 440 P HA 0.055 nan 4.420 nan 0.000 0.238 440 P C 0.304 177.604 177.300 0.000 0.000 1.183 440 P CA 0.875 63.965 63.100 -0.016 0.000 0.813 440 P CB 0.212 31.905 31.700 -0.012 0.000 0.944 441 D N -0.539 119.874 120.400 0.023 0.000 2.354 441 D HA 0.012 4.651 4.640 -0.001 0.000 0.209 441 D C 0.695 177.032 176.300 0.060 0.000 1.015 441 D CA 0.224 54.251 54.000 0.046 0.000 0.867 441 D CB -0.517 40.323 40.800 0.066 0.000 0.933 441 D HN 0.187 nan 8.370 nan 0.000 0.520 442 L N 1.585 122.828 121.223 0.033 0.000 2.326 442 L HA 0.312 4.651 4.340 -0.001 0.000 0.278 442 L C -2.117 174.674 176.870 -0.131 0.000 1.092 442 L CA -2.008 52.820 54.840 -0.019 0.000 0.810 442 L CB 0.564 42.620 42.059 -0.004 0.000 1.153 442 L HN -0.329 nan 8.230 nan 0.000 0.439 443 P HA -0.103 nan 4.420 nan 0.000 0.264 443 P C 0.571 177.746 177.300 -0.209 0.000 1.173 443 P CA 0.164 63.100 63.100 -0.274 0.000 0.761 443 P CB 0.561 31.965 31.700 -0.494 0.000 0.794 444 E N 3.399 123.519 120.200 -0.134 0.000 2.037 444 E HA -0.297 4.053 4.350 -0.001 0.000 0.214 444 E C 1.416 177.939 176.600 -0.129 0.000 1.041 444 E CA 1.994 58.330 56.400 -0.106 0.000 0.872 444 E CB -0.476 29.178 29.700 -0.076 0.000 0.785 444 E HN 0.505 nan 8.360 nan 0.000 0.476 445 E N -0.161 119.957 120.200 -0.136 0.000 2.332 445 E HA -0.279 4.070 4.350 -0.001 0.000 0.243 445 E C 1.396 177.901 176.600 -0.158 0.000 1.088 445 E CA 2.190 58.505 56.400 -0.141 0.000 1.048 445 E CB -0.556 29.039 29.700 -0.175 0.000 0.911 445 E HN 0.355 nan 8.360 nan 0.000 0.487 446 N N 0.759 119.310 118.700 -0.249 0.000 2.375 446 N HA 0.002 4.742 4.740 -0.001 0.000 0.220 446 N C -0.562 174.875 175.510 -0.121 0.000 1.170 446 N CA -0.007 52.904 53.050 -0.233 0.000 0.833 446 N CB 0.386 38.575 38.487 -0.496 0.000 1.069 446 N HN 0.098 nan 8.380 nan 0.000 0.479 447 Q N 1.029 120.774 119.800 -0.093 0.000 2.274 447 Q HA 0.350 4.689 4.340 -0.001 0.000 0.256 447 Q C -0.166 175.821 176.000 -0.022 0.000 0.927 447 Q CA -0.389 55.382 55.803 -0.053 0.000 0.939 447 Q CB 1.530 30.225 28.738 -0.072 0.000 1.201 447 Q HN 0.302 nan 8.270 nan 0.000 0.426 448 A N 4.395 127.225 122.820 0.017 0.000 2.511 448 A HA 0.328 4.648 4.320 -0.001 0.000 0.242 448 A C 0.292 177.881 177.584 0.007 0.000 1.069 448 A CA 0.152 52.211 52.037 0.036 0.000 0.763 448 A CB 0.199 19.261 19.000 0.102 0.000 1.001 448 A HN 0.830 nan 8.150 nan 0.000 0.498 449 R N 1.222 121.732 120.500 0.018 0.000 2.752 449 R HA 0.831 5.170 4.340 -0.001 0.000 0.271 449 R C -1.312 175.009 176.300 0.035 0.000 1.026 449 R CA -0.939 55.172 56.100 0.019 0.000 0.901 449 R CB 1.304 31.605 30.300 0.001 0.000 1.243 449 R HN 0.537 nan 8.270 nan 0.000 0.463 450 E N -0.552 119.684 120.200 0.060 0.000 2.408 450 E HA 0.621 4.971 4.350 -0.001 0.000 0.266 450 E C -0.998 175.635 176.600 0.056 0.000 1.025 450 E CA -0.770 55.662 56.400 0.053 0.000 0.881 450 E CB 2.297 32.145 29.700 0.248 0.000 1.660 450 E HN 0.843 nan 8.360 nan 0.000 0.458 451 G N -0.630 108.120 108.800 -0.083 0.000 2.646 451 G HA2 0.634 4.594 3.960 -0.001 0.000 0.291 451 G HA3 0.634 4.594 3.960 -0.001 0.000 0.291 451 G C -1.829 172.924 174.900 -0.245 0.000 1.445 451 G CA -0.369 44.751 45.100 0.033 0.000 0.814 451 G HN 0.331 nan 8.290 nan 0.000 0.495 452 Y N -0.557 119.705 120.300 -0.063 0.000 3.133 452 Y HA 0.830 5.380 4.550 -0.001 0.000 0.279 452 Y C 0.166 175.793 175.900 -0.455 0.000 1.930 452 Y CA -1.044 56.923 58.100 -0.221 0.000 1.059 452 Y CB 1.923 40.323 38.460 -0.099 0.000 1.966 452 Y HN 0.657 nan 8.280 nan 0.000 0.435 453 R N 0.546 120.844 120.500 -0.337 0.000 2.764 453 R HA 0.705 5.045 4.340 -0.001 0.000 0.250 453 R C -2.238 173.839 176.300 -0.372 0.000 1.122 453 R CA -0.379 55.482 56.100 -0.397 0.000 1.022 453 R CB 1.552 31.714 30.300 -0.230 0.000 1.266 453 R HN 0.813 nan 8.270 nan 0.000 0.454 454 A N 4.590 127.172 122.820 -0.396 0.000 2.380 454 A HA 0.882 5.201 4.320 -0.001 0.000 0.315 454 A C -1.012 176.427 177.584 -0.240 0.000 1.101 454 A CA -0.717 51.087 52.037 -0.389 0.000 0.771 454 A CB 1.293 19.936 19.000 -0.596 0.000 1.287 454 A HN 0.568 nan 8.150 nan 0.000 0.436 455 I N 0.375 120.888 120.570 -0.094 0.000 2.692 455 I HA 0.481 4.651 4.170 -0.001 0.000 0.293 455 I C 0.260 176.442 176.117 0.108 0.000 1.200 455 I CA -0.675 60.653 61.300 0.047 0.000 1.036 455 I CB 2.257 40.349 38.000 0.154 0.000 1.258 455 I HN 0.757 nan 8.210 nan 0.000 0.421 456 A N 5.364 128.184 122.820 -0.000 0.000 2.395 456 A HA 0.097 4.416 4.320 -0.001 0.000 0.286 456 A C -0.069 177.525 177.584 0.016 0.000 1.193 456 A CA 0.026 52.035 52.037 -0.047 0.000 0.852 456 A CB -0.408 18.520 19.000 -0.120 0.000 1.118 456 A HN 0.829 nan 8.150 nan 0.000 0.524 457 Y N 4.429 124.640 120.300 -0.148 0.000 2.655 457 Y HA -0.036 4.514 4.550 -0.001 0.000 0.361 457 Y C 0.263 176.124 175.900 -0.065 0.000 1.303 457 Y CA -0.252 57.770 58.100 -0.129 0.000 1.917 457 Y CB -0.506 37.904 38.460 -0.083 0.000 1.660 457 Y HN 0.708 nan 8.280 nan 0.000 0.403 458 S N 3.157 119.021 115.700 0.273 0.000 2.566 458 S HA 0.152 4.621 4.470 -0.001 0.000 0.280 458 S C -0.075 174.749 174.600 0.374 0.000 1.343 458 S CA -0.135 58.200 58.200 0.225 0.000 1.036 458 S CB 1.386 64.659 63.200 0.122 0.000 0.866 458 S HN 0.629 nan 8.310 nan 0.000 0.526 459 S N 0.703 116.566 115.700 0.273 0.000 2.546 459 S HA 0.193 4.662 4.470 -0.001 0.000 0.303 459 S C -0.026 174.616 174.600 0.070 0.000 1.067 459 S CA -0.680 57.638 58.200 0.198 0.000 0.944 459 S CB 0.482 63.746 63.200 0.107 0.000 1.155 459 S HN 0.556 nan 8.310 nan 0.000 0.449 460 L N 4.392 125.627 121.223 0.021 0.000 2.141 460 L HA 0.190 4.530 4.340 -0.001 0.000 0.209 460 L C 2.151 178.944 176.870 -0.129 0.000 1.094 460 L CA 1.752 56.574 54.840 -0.030 0.000 0.763 460 L CB -0.295 41.750 42.059 -0.022 0.000 0.908 460 L HN 0.705 nan 8.230 nan 0.000 0.437 461 S N -0.485 115.096 115.700 -0.197 0.000 2.584 461 S HA -0.137 4.332 4.470 -0.001 0.000 0.240 461 S C 1.018 175.346 174.600 -0.454 0.000 0.975 461 S CA 0.359 58.329 58.200 -0.384 0.000 0.949 461 S CB -0.241 62.735 63.200 -0.373 0.000 0.761 461 S HN 0.498 nan 8.310 nan 0.000 0.536 462 Q N -0.299 119.304 119.800 -0.328 0.000 2.305 462 Q HA -0.187 4.152 4.340 -0.001 0.000 0.203 462 Q C 0.387 175.844 176.000 -0.906 0.000 0.663 462 Q CA 1.225 56.793 55.803 -0.391 0.000 1.389 462 Q CB -2.057 26.540 28.738 -0.236 0.000 1.566 462 Q HN 0.666 nan 8.270 nan 0.000 0.755 463 S N 0.141 115.410 115.700 -0.718 0.000 2.545 463 S HA 0.545 5.014 4.470 -0.001 0.000 0.275 463 S C -0.411 173.718 174.600 -0.786 0.000 1.299 463 S CA -0.418 57.408 58.200 -0.622 0.000 1.048 463 S CB 0.511 63.570 63.200 -0.235 0.000 0.938 463 S HN 0.197 nan 8.310 nan 0.000 0.496 464 Y N 2.054 122.334 120.300 -0.033 0.000 2.790 464 Y HA 0.815 5.364 4.550 -0.001 0.000 0.323 464 Y C -0.350 175.612 175.900 0.104 0.000 1.230 464 Y CA -1.337 56.667 58.100 -0.160 0.000 1.121 464 Y CB 0.735 39.095 38.460 -0.166 0.000 1.328 464 Y HN 0.689 nan 8.280 nan 0.000 0.514 465 L N 0.341 121.753 121.223 0.315 0.000 2.415 465 L HA 0.676 5.016 4.340 -0.001 0.000 0.256 465 L C -2.141 174.936 176.870 0.345 0.000 1.010 465 L CA -0.778 54.241 54.840 0.299 0.000 0.826 465 L CB 2.588 44.861 42.059 0.357 0.000 1.405 465 L HN 0.587 nan 8.230 nan 0.000 0.410 466 Y N 3.939 124.310 120.300 0.119 0.000 2.348 466 Y HA 0.569 5.118 4.550 -0.001 0.000 0.321 466 Y C -1.568 174.362 175.900 0.049 0.000 1.163 466 Y CA -1.936 56.228 58.100 0.107 0.000 1.070 466 Y CB 1.238 39.763 38.460 0.108 0.000 1.250 466 Y HN 0.582 nan 8.280 nan 0.000 0.425 467 I N 3.182 124.021 120.570 0.448 0.000 2.603 467 I HA 0.812 4.981 4.170 -0.001 0.000 0.300 467 I C -1.144 175.068 176.117 0.159 0.000 1.017 467 I CA -0.337 61.009 61.300 0.078 0.000 1.098 467 I CB 2.329 40.336 38.000 0.012 0.000 1.279 467 I HN 0.489 nan 8.210 nan 0.000 0.437 468 D N 3.822 124.217 120.400 -0.008 0.000 2.904 468 D HA 0.694 5.333 4.640 -0.001 0.000 0.290 468 D C -1.897 174.661 176.300 0.430 0.000 1.180 468 D CA -0.093 54.084 54.000 0.295 0.000 1.065 468 D CB 1.952 42.788 40.800 0.060 0.000 1.386 468 D HN 0.867 nan 8.370 nan 0.000 0.599 469 W N -1.308 119.938 121.300 -0.091 0.000 3.138 469 W HA 0.498 5.157 4.660 -0.001 0.000 0.332 469 W C -2.144 174.332 176.519 -0.072 0.000 1.090 469 W CA -0.801 56.489 57.345 -0.091 0.000 1.091 469 W CB 0.312 29.723 29.460 -0.081 0.000 1.445 469 W HN 0.273 nan 8.180 nan 0.000 0.559 470 T N 2.045 116.455 114.554 -0.240 0.000 2.886 470 T HA 0.467 4.817 4.350 -0.001 0.000 0.292 470 T C -1.973 172.505 174.700 -0.371 0.000 1.012 470 T CA -0.396 61.431 62.100 -0.456 0.000 0.982 470 T CB 1.936 70.628 68.868 -0.292 0.000 1.018 470 T HN 0.508 nan 8.240 nan 0.000 0.451 471 D N 0.482 120.613 120.400 -0.448 0.000 2.934 471 D HA 0.365 5.005 4.640 -0.001 0.000 0.230 471 D C 0.703 176.802 176.300 -0.336 0.000 1.204 471 D CA -0.637 53.194 54.000 -0.283 0.000 0.873 471 D CB 1.278 41.990 40.800 -0.147 0.000 1.645 471 D HN 0.392 nan 8.370 nan 0.000 0.502 472 N N 1.123 119.557 118.700 -0.444 0.000 2.494 472 N HA -0.043 4.696 4.740 -0.001 0.000 0.182 472 N C -0.390 174.850 175.510 -0.451 0.000 1.076 472 N CA 0.687 53.455 53.050 -0.471 0.000 0.908 472 N CB -0.373 37.836 38.487 -0.464 0.000 0.967 472 N HN 0.417 nan 8.380 nan 0.000 0.449 473 H N -0.207 118.813 119.070 -0.083 0.000 2.463 473 H HA 0.342 4.898 4.556 -0.001 0.000 0.332 473 H C 0.889 176.185 175.328 -0.053 0.000 1.127 473 H CA -1.011 55.002 56.048 -0.059 0.000 1.238 473 H CB 1.458 31.193 29.762 -0.044 0.000 1.478 473 H HN 0.083 nan 8.280 nan 0.000 0.499 474 K N 1.038 121.486 120.400 0.081 0.000 2.519 474 K HA 0.178 4.497 4.320 -0.001 0.000 0.196 474 K C 0.171 176.807 176.600 0.059 0.000 1.041 474 K CA 0.938 57.254 56.287 0.048 0.000 0.954 474 K CB 0.325 32.852 32.500 0.044 0.000 0.774 474 K HN 0.465 nan 8.250 nan 0.000 0.480 475 A N 1.092 123.951 122.820 0.066 0.000 2.587 475 A HA 0.614 4.933 4.320 -0.001 0.000 0.293 475 A C -1.531 176.076 177.584 0.038 0.000 1.087 475 A CA -1.139 50.919 52.037 0.036 0.000 0.692 475 A CB 1.240 20.239 19.000 -0.001 0.000 1.291 475 A HN 0.203 nan 8.150 nan 0.000 0.407 476 L N 1.828 123.060 121.223 0.016 0.000 2.316 476 L HA 0.509 4.849 4.340 -0.001 0.000 0.280 476 L C -0.507 176.339 176.870 -0.040 0.000 1.006 476 L CA -0.473 54.377 54.840 0.017 0.000 0.836 476 L CB 0.774 42.870 42.059 0.062 0.000 1.221 476 L HN 0.599 nan 8.230 nan 0.000 0.418 477 L N 2.293 123.477 121.223 -0.065 0.000 2.479 477 L HA 0.240 4.579 4.340 -0.001 0.000 0.270 477 L C 0.600 177.421 176.870 -0.081 0.000 1.236 477 L CA -0.402 54.389 54.840 -0.080 0.000 0.823 477 L CB 0.702 42.703 42.059 -0.096 0.000 1.098 477 L HN 0.341 nan 8.230 nan 0.000 0.500 478 V N 1.195 121.062 119.914 -0.078 0.000 2.686 478 V HA 0.445 4.564 4.120 -0.001 0.000 0.295 478 V C 1.000 177.039 176.094 -0.091 0.000 1.055 478 V CA 1.343 63.592 62.300 -0.084 0.000 1.050 478 V CB 0.727 32.514 31.823 -0.060 0.000 0.984 478 V HN 1.017 nan 8.190 nan 0.000 0.482 479 G N 4.026 112.748 108.800 -0.129 0.000 2.308 479 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.221 479 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.221 479 G C 0.409 175.169 174.900 -0.234 0.000 1.032 479 G CA 0.299 45.312 45.100 -0.147 0.000 0.623 479 G HN 0.705 nan 8.290 nan 0.000 0.506 480 E N 0.248 120.343 120.200 -0.176 0.000 2.683 480 E HA 0.336 4.685 4.350 -0.001 0.000 0.266 480 E C -0.175 176.238 176.600 -0.312 0.000 1.434 480 E CA 0.152 56.473 56.400 -0.131 0.000 1.137 480 E CB 0.140 29.809 29.700 -0.051 0.000 0.992 480 E HN 0.499 nan 8.360 nan 0.000 0.607 481 H N 0.145 119.206 119.070 -0.014 0.000 2.782 481 H HA 0.250 4.805 4.556 -0.001 0.000 0.347 481 H C -1.016 174.305 175.328 -0.012 0.000 1.038 481 H CA -0.524 55.508 56.048 -0.026 0.000 1.255 481 H CB 1.014 30.761 29.762 -0.025 0.000 1.623 481 H HN 0.252 nan 8.280 nan 0.000 0.525 482 L N 3.819 125.081 121.223 0.065 0.000 2.268 482 L HA 0.164 4.503 4.340 -0.001 0.000 0.289 482 L C 0.032 176.924 176.870 0.036 0.000 1.064 482 L CA -0.446 54.427 54.840 0.055 0.000 0.824 482 L CB 0.022 42.060 42.059 -0.034 0.000 1.202 482 L HN 0.442 nan 8.230 nan 0.000 0.433 483 N N 5.647 124.394 118.700 0.078 0.000 2.415 483 N HA 0.264 5.003 4.740 -0.001 0.000 0.246 483 N C -0.866 174.691 175.510 0.078 0.000 1.078 483 N CA -0.145 52.929 53.050 0.041 0.000 0.942 483 N CB 0.612 39.116 38.487 0.029 0.000 1.140 483 N HN 0.532 nan 8.380 nan 0.000 0.501 484 I N 3.468 124.034 120.570 -0.007 0.000 2.433 484 I HA 0.462 4.631 4.170 -0.001 0.000 0.292 484 I C -1.102 174.957 176.117 -0.097 0.000 1.001 484 I CA -0.931 60.357 61.300 -0.021 0.000 1.119 484 I CB 1.004 38.920 38.000 -0.140 0.000 1.289 484 I HN 0.299 nan 8.210 nan 0.000 0.438 485 I N 7.446 127.953 120.570 -0.105 0.000 2.353 485 I HA 0.217 4.387 4.170 -0.001 0.000 0.293 485 I C -0.076 175.898 176.117 -0.238 0.000 0.992 485 I CA -0.272 60.917 61.300 -0.185 0.000 1.268 485 I CB 1.720 39.564 38.000 -0.260 0.000 1.387 485 I HN 0.287 nan 8.210 nan 0.000 0.478 486 V N 5.399 125.159 119.914 -0.256 0.000 2.204 486 V HA 0.183 4.302 4.120 -0.001 0.000 0.264 486 V C 0.156 176.118 176.094 -0.220 0.000 1.106 486 V CA -0.638 61.471 62.300 -0.318 0.000 0.947 486 V CB 0.286 31.728 31.823 -0.635 0.000 1.164 486 V HN 0.837 nan 8.190 nan 0.000 0.461 487 T N 1.192 115.644 114.554 -0.170 0.000 2.992 487 T HA 0.294 4.643 4.350 -0.001 0.000 0.299 487 T C -1.822 172.889 174.700 0.018 0.000 1.027 487 T CA -1.784 60.281 62.100 -0.058 0.000 1.001 487 T CB 1.077 69.846 68.868 -0.165 0.000 1.005 487 T HN 0.300 nan 8.240 nan 0.000 0.599 488 P HA 0.073 nan 4.420 nan 0.000 0.247 488 P C 0.429 177.768 177.300 0.064 0.000 1.225 488 P CA -0.143 62.938 63.100 -0.032 0.000 0.768 488 P CB -0.070 31.545 31.700 -0.142 0.000 1.020 489 K N 0.802 121.271 120.400 0.114 0.000 2.508 489 K HA -0.191 4.129 4.320 -0.001 0.000 0.262 489 K C 0.387 177.076 176.600 0.147 0.000 1.016 489 K CA 1.266 57.637 56.287 0.139 0.000 1.122 489 K CB -0.201 32.394 32.500 0.159 0.000 0.778 489 K HN 0.043 nan 8.250 nan 0.000 0.469 490 S N 0.729 116.497 115.700 0.113 0.000 1.211 490 S HA -0.119 4.350 4.470 -0.001 0.000 0.253 490 S C -2.526 172.086 174.600 0.019 0.000 0.562 490 S CA 0.199 58.444 58.200 0.075 0.000 0.966 490 S CB -1.900 61.374 63.200 0.122 0.000 0.860 490 S HN 0.811 nan 8.310 nan 0.000 0.490 491 P HA -0.113 nan 4.420 nan 0.000 0.259 491 P C 1.136 178.572 177.300 0.226 0.000 1.120 491 P CA 1.253 64.382 63.100 0.049 0.000 0.759 491 P CB -0.552 31.259 31.700 0.185 0.000 0.704 492 Y N 2.980 123.241 120.300 -0.065 0.000 2.332 492 Y HA -0.131 4.419 4.550 -0.001 0.000 0.283 492 Y C 0.717 176.610 175.900 -0.012 0.000 1.186 492 Y CA 0.303 58.383 58.100 -0.033 0.000 1.266 492 Y CB -0.108 38.331 38.460 -0.034 0.000 0.973 492 Y HN 0.179 nan 8.280 nan 0.000 0.548 493 I N 0.874 121.635 120.570 0.319 0.000 3.095 493 I HA 0.041 4.210 4.170 -0.001 0.000 0.310 493 I C -0.482 175.696 176.117 0.101 0.000 1.196 493 I CA -0.767 60.522 61.300 -0.020 0.000 0.985 493 I CB 2.138 39.909 38.000 -0.382 0.000 1.250 493 I HN 0.054 nan 8.210 nan 0.000 0.446 494 D N 1.791 122.212 120.400 0.034 0.000 2.395 494 D HA 0.003 4.642 4.640 -0.001 0.000 0.213 494 D C 0.398 176.718 176.300 0.033 0.000 1.110 494 D CA -0.125 53.905 54.000 0.051 0.000 0.835 494 D CB 0.193 41.010 40.800 0.028 0.000 0.965 494 D HN 0.093 nan 8.370 nan 0.000 0.505 495 K N 1.107 121.520 120.400 0.022 0.000 3.156 495 K HA 0.106 4.426 4.320 -0.001 0.000 0.276 495 K C 0.119 176.719 176.600 -0.000 0.000 0.852 495 K CA -0.104 56.184 56.287 0.001 0.000 1.083 495 K CB -1.135 31.358 32.500 -0.012 0.000 1.018 495 K HN 0.398 nan 8.250 nan 0.000 0.444 496 I N 0.172 120.742 120.570 -0.000 0.000 2.471 496 I HA -0.067 4.102 4.170 -0.001 0.000 0.286 496 I C 1.978 178.024 176.117 -0.118 0.000 1.079 496 I CA 0.068 61.345 61.300 -0.039 0.000 1.398 496 I CB 1.029 38.969 38.000 -0.099 0.000 1.403 496 I HN 0.060 nan 8.210 nan 0.000 0.530 497 T N 4.916 119.391 114.554 -0.132 0.000 2.612 497 T HA 0.006 4.356 4.350 -0.001 0.000 0.251 497 T C 0.471 174.941 174.700 -0.383 0.000 1.090 497 T CA 1.145 63.108 62.100 -0.228 0.000 1.198 497 T CB -0.073 68.786 68.868 -0.015 0.000 0.878 497 T HN 0.637 nan 8.240 nan 0.000 0.401 498 H N -1.438 117.635 119.070 0.006 0.000 2.747 498 H HA 0.523 5.079 4.556 -0.001 0.000 0.371 498 H C -1.424 173.785 175.328 -0.198 0.000 1.161 498 H CA -0.925 55.101 56.048 -0.035 0.000 1.167 498 H CB 1.168 30.997 29.762 0.112 0.000 1.732 498 H HN 0.263 nan 8.280 nan 0.000 0.544 499 Y N 1.200 121.621 120.300 0.200 0.000 2.308 499 Y HA 0.266 4.816 4.550 -0.001 0.000 0.329 499 Y C -0.067 175.855 175.900 0.036 0.000 1.111 499 Y CA -0.647 57.510 58.100 0.095 0.000 1.179 499 Y CB 0.808 39.300 38.460 0.053 0.000 1.201 499 Y HN 0.550 nan 8.280 nan 0.000 0.483 500 N N 2.905 121.628 118.700 0.038 0.000 2.296 500 N HA 0.286 5.025 4.740 -0.001 0.000 0.294 500 N C -1.352 174.085 175.510 -0.123 0.000 1.033 500 N CA -0.841 52.085 53.050 -0.207 0.000 0.839 500 N CB 1.838 39.929 38.487 -0.660 0.000 1.395 500 N HN 0.625 nan 8.380 nan 0.000 0.479 501 Y N -0.105 120.170 120.300 -0.042 0.000 2.630 501 Y HA 0.881 5.431 4.550 -0.001 0.000 0.337 501 Y C -1.421 174.582 175.900 0.172 0.000 1.051 501 Y CA -1.389 56.735 58.100 0.039 0.000 1.121 501 Y CB 1.238 39.705 38.460 0.012 0.000 1.299 501 Y HN 0.277 nan 8.280 nan 0.000 0.498 502 L N 2.501 123.973 121.223 0.415 0.000 2.614 502 L HA 0.520 4.859 4.340 -0.001 0.000 0.264 502 L C -1.610 175.436 176.870 0.293 0.000 0.940 502 L CA -1.037 54.008 54.840 0.342 0.000 0.903 502 L CB 1.909 44.148 42.059 0.300 0.000 1.306 502 L HN 0.784 nan 8.230 nan 0.000 0.410 503 I N 5.496 126.250 120.570 0.307 0.000 2.466 503 I HA 0.358 4.528 4.170 -0.001 0.000 0.279 503 I C -0.985 175.244 176.117 0.185 0.000 1.033 503 I CA -0.598 60.835 61.300 0.221 0.000 1.123 503 I CB 1.490 39.642 38.000 0.254 0.000 1.237 503 I HN 0.276 nan 8.210 nan 0.000 0.460 504 L N 4.425 125.720 121.223 0.120 0.000 2.360 504 L HA 0.608 4.948 4.340 -0.001 0.000 0.271 504 L C 0.307 177.227 176.870 0.083 0.000 1.057 504 L CA -0.188 54.712 54.840 0.099 0.000 0.803 504 L CB 1.590 43.702 42.059 0.089 0.000 1.207 504 L HN 0.531 nan 8.230 nan 0.000 0.445 505 S N 1.938 117.689 115.700 0.086 0.000 2.652 505 S HA 0.451 4.921 4.470 -0.001 0.000 0.273 505 S C -0.996 173.662 174.600 0.096 0.000 1.172 505 S CA -0.782 57.466 58.200 0.081 0.000 1.009 505 S CB 0.114 63.365 63.200 0.086 0.000 1.094 505 S HN 0.597 nan 8.310 nan 0.000 0.471 506 K N 3.337 123.803 120.400 0.111 0.000 3.372 506 K HA -0.162 4.158 4.320 -0.001 0.000 0.272 506 K C 0.896 177.561 176.600 0.108 0.000 1.037 506 K CA 0.667 57.028 56.287 0.124 0.000 0.777 506 K CB -1.944 30.637 32.500 0.135 0.000 1.347 506 K HN 1.678 nan 8.250 nan 0.000 0.460 507 G N 0.129 108.987 108.800 0.097 0.000 2.200 507 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.267 507 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.267 507 G C -0.040 174.891 174.900 0.051 0.000 0.993 507 G CA 1.188 46.330 45.100 0.070 0.000 0.701 507 G HN 0.410 nan 8.290 nan 0.000 0.524 508 K N 0.159 120.595 120.400 0.060 0.000 2.463 508 K HA 0.532 4.851 4.320 -0.001 0.000 0.255 508 K C 0.920 177.548 176.600 0.046 0.000 0.942 508 K CA -1.019 55.294 56.287 0.043 0.000 0.814 508 K CB 1.095 33.622 32.500 0.045 0.000 1.122 508 K HN 0.196 nan 8.250 nan 0.000 0.425 509 I N 5.679 126.267 120.570 0.030 0.000 2.752 509 I HA -0.059 4.110 4.170 -0.001 0.000 0.287 509 I C 1.258 177.379 176.117 0.007 0.000 1.188 509 I CA 0.684 62.004 61.300 0.033 0.000 1.427 509 I CB 0.168 38.164 38.000 -0.007 0.000 1.365 509 I HN 0.728 nan 8.210 nan 0.000 0.585 510 I N 0.895 121.482 120.570 0.029 0.000 5.046 510 I HA 0.242 4.411 4.170 -0.001 0.000 0.341 510 I C 0.348 176.288 176.117 -0.296 0.000 1.257 510 I CA -0.220 61.011 61.300 -0.115 0.000 1.421 510 I CB 0.416 38.360 38.000 -0.093 0.000 1.495 510 I HN 0.486 nan 8.210 nan 0.000 0.518 511 H N 1.954 121.166 119.070 0.236 0.000 2.865 511 H HA 0.747 5.302 4.556 -0.001 0.000 0.372 511 H C -1.451 174.168 175.328 0.485 0.000 1.173 511 H CA -0.384 55.886 56.048 0.370 0.000 1.147 511 H CB 3.039 32.989 29.762 0.312 0.000 1.805 511 H HN 0.195 nan 8.280 nan 0.000 0.553 512 F N -1.687 118.305 119.950 0.071 0.000 2.890 512 F HA 0.540 5.067 4.527 -0.001 0.000 0.326 512 F C -0.772 174.631 175.800 -0.662 0.000 1.143 512 F CA -0.438 57.344 58.000 -0.363 0.000 0.906 512 F CB 1.038 39.966 39.000 -0.120 0.000 1.303 512 F HN 0.879 nan 8.300 nan 0.000 0.447 513 G N 0.392 108.415 108.800 -1.295 0.000 2.356 513 G HA2 0.543 4.502 3.960 -0.001 0.000 0.281 513 G HA3 0.543 4.502 3.960 -0.001 0.000 0.281 513 G C -1.889 172.676 174.900 -0.558 0.000 1.246 513 G CA -0.242 44.278 45.100 -0.967 0.000 0.889 513 G HN 0.929 nan 8.290 nan 0.000 0.486 514 T N 0.770 115.166 114.554 -0.265 0.000 2.982 514 T HA 0.627 4.977 4.350 -0.001 0.000 0.321 514 T C -1.135 173.582 174.700 0.029 0.000 1.229 514 T CA -0.753 61.300 62.100 -0.080 0.000 1.044 514 T CB 1.770 70.558 68.868 -0.134 0.000 1.184 514 T HN 0.537 nan 8.240 nan 0.000 0.477 515 R N 2.109 122.696 120.500 0.144 0.000 2.387 515 R HA 0.393 4.732 4.340 -0.001 0.000 0.314 515 R C -0.117 176.329 176.300 0.243 0.000 0.958 515 R CA -0.824 55.368 56.100 0.154 0.000 0.846 515 R CB 1.611 31.992 30.300 0.135 0.000 1.147 515 R HN 0.754 nan 8.270 nan 0.000 0.447 516 E N 2.643 122.998 120.200 0.258 0.000 2.415 516 E HA -0.037 4.313 4.350 -0.001 0.000 0.263 516 E C -0.318 176.447 176.600 0.274 0.000 0.995 516 E CA -0.132 56.511 56.400 0.404 0.000 0.915 516 E CB 0.780 30.692 29.700 0.353 0.000 0.951 516 E HN 0.133 nan 8.360 nan 0.000 0.449 517 K N 4.559 125.072 120.400 0.188 0.000 2.401 517 K HA 0.013 4.332 4.320 -0.001 0.000 0.278 517 K C -0.705 176.082 176.600 0.311 0.000 1.018 517 K CA -0.263 56.127 56.287 0.172 0.000 0.981 517 K CB 0.255 32.702 32.500 -0.089 0.000 0.933 517 K HN 0.464 nan 8.250 nan 0.000 0.477 518 F N 3.795 123.818 119.950 0.122 0.000 2.516 518 F HA -0.021 4.506 4.527 -0.001 0.000 0.351 518 F C 1.736 177.548 175.800 0.021 0.000 1.208 518 F CA -0.013 58.021 58.000 0.057 0.000 1.073 518 F CB -0.836 38.187 39.000 0.037 0.000 1.203 518 F HN 0.579 nan 8.300 nan 0.000 0.602 519 S N 2.558 118.342 115.700 0.141 0.000 2.460 519 S HA -0.331 4.138 4.470 -0.001 0.000 0.241 519 S C 1.749 176.364 174.600 0.024 0.000 1.051 519 S CA 1.926 60.156 58.200 0.050 0.000 1.223 519 S CB -0.458 62.745 63.200 0.005 0.000 1.160 519 S HN 0.772 nan 8.310 nan 0.000 0.424 520 D N 3.343 123.729 120.400 -0.025 0.000 2.330 520 D HA -0.081 4.559 4.640 -0.001 0.000 0.228 520 D C 1.046 177.332 176.300 -0.023 0.000 1.136 520 D CA 1.396 55.373 54.000 -0.039 0.000 0.983 520 D CB -1.310 39.443 40.800 -0.078 0.000 1.403 520 D HN 0.523 nan 8.370 nan 0.000 0.524 521 A N -0.205 122.589 122.820 -0.043 0.000 2.409 521 A HA 0.309 4.628 4.320 -0.001 0.000 0.246 521 A C 1.505 179.053 177.584 -0.061 0.000 1.099 521 A CA 0.558 52.550 52.037 -0.076 0.000 0.789 521 A CB 0.225 19.140 19.000 -0.141 0.000 1.053 521 A HN 0.443 nan 8.150 nan 0.000 0.503 522 S N -0.528 115.091 115.700 -0.134 0.000 2.383 522 S HA -0.032 4.438 4.470 -0.001 0.000 0.208 522 S C 1.003 175.570 174.600 -0.055 0.000 1.312 522 S CA 1.492 59.650 58.200 -0.071 0.000 2.096 522 S CB -0.875 62.305 63.200 -0.033 0.000 0.747 522 S HN 0.894 nan 8.310 nan 0.000 0.362 523 Y N 1.209 121.537 120.300 0.047 0.000 2.296 523 Y HA 0.579 5.129 4.550 -0.001 0.000 0.396 523 Y C 0.469 176.363 175.900 -0.010 0.000 1.347 523 Y CA -0.318 57.775 58.100 -0.013 0.000 1.875 523 Y CB -0.162 38.254 38.460 -0.073 0.000 1.685 523 Y HN 0.763 nan 8.280 nan 0.000 0.642 524 Q N -1.374 118.537 119.800 0.184 0.000 2.900 524 Q HA 0.375 4.714 4.340 -0.001 0.000 0.297 524 Q C -1.895 174.047 176.000 -0.097 0.000 0.889 524 Q CA -0.861 54.947 55.803 0.008 0.000 0.777 524 Q CB 0.880 29.463 28.738 -0.259 0.000 1.518 524 Q HN 0.701 nan 8.270 nan 0.000 0.430 525 S N 0.946 116.568 115.700 -0.129 0.000 2.562 525 S HA 0.634 5.103 4.470 -0.001 0.000 0.275 525 S C -0.015 174.474 174.600 -0.185 0.000 1.281 525 S CA -0.497 57.627 58.200 -0.127 0.000 1.045 525 S CB 0.320 63.477 63.200 -0.072 0.000 0.962 525 S HN 0.391 nan 8.310 nan 0.000 0.503 526 I N 2.875 123.341 120.570 -0.174 0.000 2.436 526 I HA 0.338 4.508 4.170 -0.001 0.000 0.289 526 I C -0.433 175.585 176.117 -0.166 0.000 1.010 526 I CA -0.564 60.627 61.300 -0.181 0.000 1.098 526 I CB 1.590 39.454 38.000 -0.227 0.000 1.266 526 I HN 0.470 nan 8.210 nan 0.000 0.434 527 N N 7.347 125.967 118.700 -0.134 0.000 2.564 527 N HA 0.422 5.162 4.740 -0.001 0.000 0.248 527 N C -1.241 174.219 175.510 -0.085 0.000 0.986 527 N CA -0.476 52.518 53.050 -0.094 0.000 0.921 527 N CB 1.091 39.545 38.487 -0.055 0.000 1.136 527 N HN 0.376 nan 8.380 nan 0.000 0.509 528 I N 3.274 123.760 120.570 -0.140 0.000 2.330 528 I HA 0.410 4.579 4.170 -0.001 0.000 0.289 528 I C -2.167 173.898 176.117 -0.086 0.000 1.001 528 I CA -2.556 58.648 61.300 -0.161 0.000 1.193 528 I CB 1.012 38.803 38.000 -0.349 0.000 1.345 528 I HN 0.200 nan 8.210 nan 0.000 0.461 529 P HA -0.017 nan 4.420 nan 0.000 0.261 529 P C -0.026 177.119 177.300 -0.258 0.000 1.203 529 P CA 0.010 62.977 63.100 -0.222 0.000 0.767 529 P CB 0.431 32.068 31.700 -0.104 0.000 0.785 530 V N 4.953 124.705 119.914 -0.269 0.000 2.493 530 V HA 0.035 4.155 4.120 -0.001 0.000 0.292 530 V C 0.497 176.481 176.094 -0.183 0.000 1.016 530 V CA 0.945 63.116 62.300 -0.215 0.000 1.097 530 V CB 0.303 32.026 31.823 -0.167 0.000 0.947 530 V HN 0.494 nan 8.190 nan 0.000 0.479 531 T N 4.589 119.052 114.554 -0.153 0.000 2.895 531 T HA 0.265 4.614 4.350 -0.001 0.000 0.283 531 T C 0.720 175.417 174.700 -0.005 0.000 1.014 531 T CA -0.109 61.956 62.100 -0.059 0.000 1.037 531 T CB 1.756 70.636 68.868 0.020 0.000 1.006 531 T HN 0.902 nan 8.240 nan 0.000 0.468 532 Q N 3.357 123.165 119.800 0.013 0.000 2.224 532 Q HA -0.210 4.129 4.340 -0.001 0.000 0.213 532 Q C 1.460 177.496 176.000 0.060 0.000 0.998 532 Q CA 2.564 58.385 55.803 0.030 0.000 0.895 532 Q CB -0.571 28.190 28.738 0.038 0.000 0.926 532 Q HN 0.806 nan 8.270 nan 0.000 0.417 533 N N -1.192 117.566 118.700 0.098 0.000 2.635 533 N HA -0.076 4.664 4.740 -0.001 0.000 0.191 533 N C 0.384 175.964 175.510 0.117 0.000 1.155 533 N CA 1.107 54.232 53.050 0.125 0.000 0.927 533 N CB 0.005 38.599 38.487 0.178 0.000 0.976 533 N HN 0.435 nan 8.380 nan 0.000 0.448 534 M N -0.726 118.918 119.600 0.073 0.000 2.405 534 M HA 0.162 4.642 4.480 -0.001 0.000 0.292 534 M C 1.280 177.578 176.300 -0.003 0.000 1.111 534 M CA -0.158 55.162 55.300 0.033 0.000 0.979 534 M CB 0.442 33.031 32.600 -0.018 0.000 1.426 534 M HN -0.072 nan 8.290 nan 0.000 0.509 535 V N -0.698 119.233 119.914 0.027 0.000 2.236 535 V HA -0.230 3.889 4.120 -0.001 0.000 0.255 535 V C -0.661 175.380 176.094 -0.088 0.000 1.068 535 V CA 1.952 64.253 62.300 0.002 0.000 1.044 535 V CB -2.595 29.284 31.823 0.093 0.000 0.653 535 V HN 0.303 nan 8.190 nan 0.000 0.448 536 P HA 0.068 nan 4.420 nan 0.000 0.214 536 P C 1.066 178.277 177.300 -0.147 0.000 1.167 536 P CA 1.950 64.931 63.100 -0.199 0.000 0.882 536 P CB -0.028 31.747 31.700 0.125 0.000 0.777 537 S N -2.943 112.722 115.700 -0.058 0.000 3.132 537 S HA 0.780 5.249 4.470 -0.001 0.000 0.322 537 S C -0.623 173.866 174.600 -0.185 0.000 1.124 537 S CA -0.482 57.620 58.200 -0.164 0.000 0.906 537 S CB 1.310 64.524 63.200 0.023 0.000 1.349 537 S HN -0.063 nan 8.310 nan 0.000 0.686 538 S N -0.658 114.855 115.700 -0.311 0.000 2.712 538 S HA 0.483 4.953 4.470 -0.001 0.000 0.279 538 S C -1.895 172.531 174.600 -0.289 0.000 1.025 538 S CA -0.955 57.121 58.200 -0.207 0.000 0.861 538 S CB 1.085 64.177 63.200 -0.180 0.000 1.091 538 S HN 0.913 nan 8.310 nan 0.000 0.457 539 R N 0.614 121.051 120.500 -0.105 0.000 2.808 539 R HA 0.894 5.234 4.340 -0.001 0.000 0.272 539 R C -1.561 174.713 176.300 -0.042 0.000 0.995 539 R CA -1.131 54.920 56.100 -0.080 0.000 0.917 539 R CB 0.906 31.241 30.300 0.059 0.000 1.217 539 R HN 0.416 nan 8.270 nan 0.000 0.471 540 L N -0.539 120.646 121.223 -0.065 0.000 2.409 540 L HA 0.809 5.149 4.340 -0.001 0.000 0.255 540 L C -1.232 175.621 176.870 -0.028 0.000 1.027 540 L CA -1.167 53.662 54.840 -0.018 0.000 0.834 540 L CB 1.534 43.561 42.059 -0.053 0.000 1.426 540 L HN 0.836 nan 8.230 nan 0.000 0.411 541 L N 0.185 121.416 121.223 0.013 0.000 2.568 541 L HA 0.978 5.317 4.340 -0.001 0.000 0.257 541 L C -1.807 175.097 176.870 0.056 0.000 1.024 541 L CA -0.829 53.996 54.840 -0.024 0.000 0.854 541 L CB 2.454 44.420 42.059 -0.155 0.000 1.460 541 L HN 0.528 nan 8.230 nan 0.000 0.409 542 V N 2.694 122.650 119.914 0.070 0.000 2.610 542 V HA 0.432 4.552 4.120 -0.001 0.000 0.298 542 V C -1.440 174.797 176.094 0.239 0.000 1.067 542 V CA -0.316 62.065 62.300 0.135 0.000 0.894 542 V CB 1.695 33.578 31.823 0.100 0.000 1.015 542 V HN 0.764 nan 8.190 nan 0.000 0.432 543 Y N 4.601 125.040 120.300 0.232 0.000 2.429 543 Y HA 0.892 5.441 4.550 -0.001 0.000 0.342 543 Y C -0.930 175.229 175.900 0.431 0.000 1.004 543 Y CA -1.563 56.725 58.100 0.313 0.000 1.075 543 Y CB 1.430 40.031 38.460 0.234 0.000 1.214 543 Y HN 0.667 nan 8.280 nan 0.000 0.455 544 Y N 1.659 122.134 120.300 0.291 0.000 2.393 544 Y HA 0.714 5.264 4.550 -0.001 0.000 0.341 544 Y C -1.036 174.982 175.900 0.197 0.000 0.988 544 Y CA -3.361 54.834 58.100 0.159 0.000 1.078 544 Y CB 0.779 39.267 38.460 0.046 0.000 1.203 544 Y HN 0.651 nan 8.280 nan 0.000 0.453 545 I N 4.896 125.524 120.570 0.096 0.000 2.278 545 I HA 0.202 4.371 4.170 -0.001 0.000 0.296 545 I C -0.474 175.553 176.117 -0.150 0.000 1.121 545 I CA -0.616 60.671 61.300 -0.022 0.000 1.267 545 I CB 0.355 38.361 38.000 0.010 0.000 1.447 545 I HN 0.413 nan 8.210 nan 0.000 0.509 546 V N 5.762 125.546 119.914 -0.217 0.000 2.432 546 V HA 0.076 4.195 4.120 -0.001 0.000 0.271 546 V C 0.782 176.822 176.094 -0.091 0.000 1.046 546 V CA -0.040 62.162 62.300 -0.162 0.000 0.945 546 V CB 1.333 33.017 31.823 -0.231 0.000 0.992 546 V HN 0.671 nan 8.190 nan 0.000 0.471 547 T N 5.475 120.000 114.554 -0.048 0.000 3.688 547 T HA 0.241 4.591 4.350 -0.001 0.000 0.307 547 T C 0.782 175.513 174.700 0.052 0.000 1.382 547 T CA -0.084 62.003 62.100 -0.021 0.000 1.136 547 T CB -0.098 68.750 68.868 -0.032 0.000 1.207 547 T HN 0.860 nan 8.240 nan 0.000 0.854 548 G N 1.970 110.791 108.800 0.035 0.000 2.491 548 G HA2 0.137 4.097 3.960 -0.001 0.000 0.238 548 G HA3 0.137 4.097 3.960 -0.001 0.000 0.238 548 G C 1.205 176.144 174.900 0.064 0.000 1.277 548 G CA -0.557 44.587 45.100 0.073 0.000 0.851 548 G HN 0.611 nan 8.290 nan 0.000 0.573 549 E N 1.565 121.829 120.200 0.106 0.000 2.209 549 E HA -0.263 4.087 4.350 -0.001 0.000 0.196 549 E C 1.845 178.462 176.600 0.028 0.000 0.993 549 E CA 1.551 57.987 56.400 0.061 0.000 0.819 549 E CB -0.196 29.546 29.700 0.070 0.000 0.745 549 E HN 0.769 nan 8.360 nan 0.000 0.477 550 Q N 0.753 120.563 119.800 0.017 0.000 2.163 550 Q HA 0.057 4.396 4.340 -0.001 0.000 0.198 550 Q C 0.155 176.149 176.000 -0.009 0.000 0.954 550 Q CA 0.909 56.713 55.803 0.001 0.000 0.851 550 Q CB 0.240 28.973 28.738 -0.008 0.000 0.928 550 Q HN 0.113 nan 8.270 nan 0.000 0.459 551 T N 0.320 114.863 114.554 -0.018 0.000 2.977 551 T HA 0.523 4.872 4.350 -0.001 0.000 0.345 551 T C -1.599 173.081 174.700 -0.033 0.000 1.562 551 T CA -0.259 61.826 62.100 -0.024 0.000 1.090 551 T CB 1.608 70.461 68.868 -0.024 0.000 1.383 551 T HN 0.380 nan 8.240 nan 0.000 0.484 552 A N 2.165 124.963 122.820 -0.037 0.000 2.505 552 A HA 0.360 4.680 4.320 -0.001 0.000 0.271 552 A C 0.336 177.897 177.584 -0.039 0.000 1.112 552 A CA 0.419 52.429 52.037 -0.045 0.000 0.781 552 A CB -0.130 18.841 19.000 -0.048 0.000 1.059 552 A HN 0.656 nan 8.150 nan 0.000 0.508 553 E N 3.401 123.567 120.200 -0.057 0.000 2.114 553 E HA 0.360 4.709 4.350 -0.001 0.000 0.266 553 E C -0.781 175.774 176.600 -0.074 0.000 0.896 553 E CA -0.382 55.983 56.400 -0.058 0.000 0.750 553 E CB 0.835 30.482 29.700 -0.089 0.000 1.121 553 E HN 0.724 nan 8.360 nan 0.000 0.413 554 L N 3.257 124.478 121.223 -0.004 0.000 2.436 554 L HA 0.377 4.716 4.340 -0.001 0.000 0.265 554 L C -0.279 176.613 176.870 0.037 0.000 1.168 554 L CA -0.243 54.617 54.840 0.033 0.000 0.815 554 L CB 1.201 43.322 42.059 0.102 0.000 1.109 554 L HN 0.305 nan 8.230 nan 0.000 0.462 555 V N 1.470 121.409 119.914 0.041 0.000 2.969 555 V HA 0.545 4.664 4.120 -0.001 0.000 0.304 555 V C -0.521 175.805 176.094 0.386 0.000 1.192 555 V CA -0.364 62.044 62.300 0.180 0.000 0.962 555 V CB 2.263 34.031 31.823 -0.092 0.000 1.045 555 V HN 0.963 nan 8.190 nan 0.000 0.428 556 S N 2.940 118.925 115.700 0.475 0.000 2.757 556 S HA 0.863 5.332 4.470 -0.001 0.000 0.285 556 S C -1.811 172.991 174.600 0.335 0.000 1.196 556 S CA -0.417 58.012 58.200 0.381 0.000 0.856 556 S CB 2.406 65.706 63.200 0.167 0.000 1.212 556 S HN 0.858 nan 8.310 nan 0.000 0.516 557 D N -0.809 119.704 120.400 0.189 0.000 2.665 557 D HA 0.742 5.381 4.640 -0.001 0.000 0.287 557 D C -1.421 174.906 176.300 0.045 0.000 1.266 557 D CA 0.434 54.513 54.000 0.132 0.000 0.830 557 D CB 1.997 42.935 40.800 0.229 0.000 1.356 557 D HN 1.095 nan 8.370 nan 0.000 0.437 558 S N -0.871 114.854 115.700 0.042 0.000 2.588 558 S HA 0.790 5.259 4.470 -0.001 0.000 0.269 558 S C -1.224 173.394 174.600 0.030 0.000 1.157 558 S CA -0.495 57.707 58.200 0.003 0.000 0.824 558 S CB 1.009 64.191 63.200 -0.029 0.000 1.126 558 S HN 1.041 nan 8.310 nan 0.000 0.464 559 V N -2.187 117.711 119.914 -0.026 0.000 3.049 559 V HA 0.815 4.934 4.120 -0.001 0.000 0.309 559 V C -1.005 175.103 176.094 0.022 0.000 1.148 559 V CA -0.986 61.306 62.300 -0.014 0.000 0.990 559 V CB 1.209 32.899 31.823 -0.221 0.000 1.039 559 V HN 1.147 nan 8.190 nan 0.000 0.430 560 W N 3.250 124.528 121.300 -0.037 0.000 2.303 560 W HA 0.774 5.433 4.660 -0.001 0.000 0.334 560 W C -0.455 176.053 176.519 -0.019 0.000 1.197 560 W CA -0.952 56.384 57.345 -0.015 0.000 1.262 560 W CB 1.372 30.849 29.460 0.029 0.000 1.153 560 W HN 0.631 nan 8.180 nan 0.000 0.596 561 L N 6.604 127.131 121.223 -1.161 0.000 2.625 561 L HA 0.094 4.434 4.340 -0.001 0.000 0.255 561 L C 0.273 176.542 176.870 -1.002 0.000 1.493 561 L CA -0.691 53.658 54.840 -0.818 0.000 0.796 561 L CB -0.235 41.499 42.059 -0.541 0.000 1.064 561 L HN 0.489 nan 8.230 nan 0.000 0.516 562 N N 2.929 120.837 118.700 -1.319 0.000 2.293 562 N HA 0.106 4.845 4.740 -0.001 0.000 0.253 562 N C -0.359 174.978 175.510 -0.288 0.000 1.248 562 N CA 0.744 53.380 53.050 -0.690 0.000 0.845 562 N CB 0.988 39.476 38.487 0.001 0.000 1.073 562 N HN 0.568 nan 8.380 nan 0.000 0.464 563 I N -0.809 119.629 120.570 -0.220 0.000 3.516 563 I HA 0.472 4.642 4.170 -0.001 0.000 0.307 563 I C -0.608 175.427 176.117 -0.137 0.000 1.157 563 I CA -1.077 60.135 61.300 -0.148 0.000 0.983 563 I CB 1.462 39.370 38.000 -0.154 0.000 1.351 563 I HN 0.498 nan 8.210 nan 0.000 0.484 564 E N 0.780 120.908 120.200 -0.119 0.000 2.299 564 E HA 0.106 4.455 4.350 -0.001 0.000 0.272 564 E C -0.798 175.699 176.600 -0.171 0.000 1.043 564 E CA -0.254 56.075 56.400 -0.118 0.000 0.895 564 E CB 0.539 30.187 29.700 -0.086 0.000 1.011 564 E HN 0.511 nan 8.360 nan 0.000 0.432 565 E N 3.582 123.647 120.200 -0.226 0.000 3.187 565 E HA -0.077 4.272 4.350 -0.001 0.000 0.297 565 E C -0.367 176.174 176.600 -0.098 0.000 1.515 565 E CA 0.051 56.239 56.400 -0.352 0.000 1.641 565 E CB -0.213 29.245 29.700 -0.403 0.000 1.314 565 E HN 0.380 nan 8.360 nan 0.000 0.462 566 K N 1.302 121.668 120.400 -0.056 0.000 2.378 566 K HA 0.059 4.378 4.320 -0.001 0.000 0.288 566 K C -0.247 176.411 176.600 0.096 0.000 1.057 566 K CA -0.475 55.822 56.287 0.016 0.000 0.971 566 K CB 0.327 32.823 32.500 -0.007 0.000 0.975 566 K HN 0.211 nan 8.250 nan 0.000 0.475 567 c N 3.154 121.833 118.600 0.131 0.000 2.713 567 c HA 0.147 4.716 4.570 -0.001 0.000 0.330 567 c C 2.082 176.230 174.090 0.096 0.000 1.416 567 c CA -0.083 56.339 56.329 0.155 0.000 2.351 567 c CB 0.380 42.948 42.510 0.097 0.000 2.388 567 c HN 1.092 nan 8.230 nan 0.000 0.729 568 G N 0.496 109.344 108.800 0.080 0.000 2.572 568 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.214 568 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.214 568 G C 0.340 175.261 174.900 0.035 0.000 1.246 568 G CA 0.331 45.466 45.100 0.058 0.000 0.835 568 G HN 0.697 nan 8.290 nan 0.000 0.551 569 N N 1.409 120.123 118.700 0.024 0.000 2.401 569 N HA 0.261 5.000 4.740 -0.001 0.000 0.255 569 N C -0.495 175.015 175.510 0.000 0.000 1.110 569 N CA -0.024 53.031 53.050 0.009 0.000 0.949 569 N CB 1.313 39.802 38.487 0.003 0.000 1.110 569 N HN 0.147 nan 8.380 nan 0.000 0.490 570 Q N 1.850 121.650 119.800 -0.001 0.000 2.301 570 Q HA 0.104 4.444 4.340 -0.001 0.000 0.262 570 Q C -0.647 175.338 176.000 -0.025 0.000 1.168 570 Q CA -0.034 55.764 55.803 -0.008 0.000 0.908 570 Q CB 0.066 28.802 28.738 -0.004 0.000 1.348 570 Q HN 0.374 nan 8.270 nan 0.000 0.441 571 L N 3.459 124.660 121.223 -0.037 0.000 2.282 571 L HA 0.522 4.861 4.340 -0.001 0.000 0.288 571 L C -1.101 175.720 176.870 -0.081 0.000 1.033 571 L CA -0.241 54.565 54.840 -0.056 0.000 0.807 571 L CB 1.489 43.513 42.059 -0.059 0.000 1.209 571 L HN 0.505 nan 8.230 nan 0.000 0.423 572 Q N 3.347 123.081 119.800 -0.111 0.000 2.397 572 Q HA 0.778 5.118 4.340 -0.001 0.000 0.275 572 Q C -1.777 174.080 176.000 -0.239 0.000 1.090 572 Q CA -0.691 54.996 55.803 -0.194 0.000 0.809 572 Q CB 2.395 30.992 28.738 -0.235 0.000 1.362 572 Q HN 0.548 nan 8.270 nan 0.000 0.431 573 V N 0.870 120.609 119.914 -0.291 0.000 2.444 573 V HA 0.669 4.788 4.120 -0.001 0.000 0.294 573 V C -0.910 175.040 176.094 -0.241 0.000 1.022 573 V CA -0.789 61.389 62.300 -0.204 0.000 0.850 573 V CB 1.562 33.330 31.823 -0.092 0.000 0.992 573 V HN 0.778 nan 8.190 nan 0.000 0.426 574 H N 4.162 123.254 119.070 0.036 0.000 2.538 574 H HA 0.608 5.164 4.556 -0.001 0.000 0.353 574 H C -0.648 174.719 175.328 0.064 0.000 1.109 574 H CA -0.837 55.240 56.048 0.049 0.000 1.192 574 H CB 2.393 32.178 29.762 0.039 0.000 1.555 574 H HN 0.628 nan 8.280 nan 0.000 0.518 575 L N 2.013 123.374 121.223 0.231 0.000 2.290 575 L HA 0.113 4.452 4.340 -0.001 0.000 0.284 575 L C 1.567 178.533 176.870 0.159 0.000 1.078 575 L CA -0.201 54.746 54.840 0.178 0.000 0.815 575 L CB 1.069 43.266 42.059 0.229 0.000 1.162 575 L HN 0.616 nan 8.230 nan 0.000 0.435 576 S N 3.055 118.821 115.700 0.110 0.000 2.404 576 S HA -0.113 4.356 4.470 -0.001 0.000 0.230 576 S C -1.507 173.147 174.600 0.090 0.000 1.046 576 S CA 1.238 59.487 58.200 0.082 0.000 1.135 576 S CB -0.866 62.362 63.200 0.046 0.000 1.056 576 S HN 0.596 nan 8.310 nan 0.000 0.426 577 P HA 0.235 nan 4.420 nan 0.000 0.280 577 P C -0.454 176.915 177.300 0.114 0.000 1.300 577 P CA -0.011 63.148 63.100 0.099 0.000 0.785 577 P CB 0.485 32.250 31.700 0.108 0.000 0.874 578 D N 2.541 122.970 120.400 0.047 0.000 2.352 578 D HA 0.027 4.666 4.640 -0.001 0.000 0.232 578 D C 0.475 176.766 176.300 -0.015 0.000 1.055 578 D CA 0.007 54.036 54.000 0.050 0.000 0.891 578 D CB 0.005 40.809 40.800 0.006 0.000 0.897 578 D HN 0.331 nan 8.370 nan 0.000 0.529 579 A N 1.125 123.873 122.820 -0.119 0.000 2.561 579 A HA -0.037 4.283 4.320 -0.001 0.000 0.234 579 A C 0.708 178.150 177.584 -0.236 0.000 1.055 579 A CA 0.183 52.097 52.037 -0.205 0.000 0.756 579 A CB 0.194 19.011 19.000 -0.304 0.000 0.986 579 A HN 0.232 nan 8.150 nan 0.000 0.505 580 D N -0.063 120.262 120.400 -0.124 0.000 2.413 580 D HA 0.462 5.102 4.640 -0.001 0.000 0.237 580 D C -0.032 176.244 176.300 -0.040 0.000 1.171 580 D CA 0.599 54.576 54.000 -0.038 0.000 0.839 580 D CB -0.138 40.660 40.800 -0.002 0.000 0.950 580 D HN 0.790 nan 8.370 nan 0.000 0.499 581 A N -0.472 122.232 122.820 -0.193 0.000 2.594 581 A HA 0.583 4.903 4.320 -0.001 0.000 0.296 581 A C -1.946 175.449 177.584 -0.315 0.000 1.056 581 A CA -0.995 50.995 52.037 -0.078 0.000 0.693 581 A CB 0.870 19.877 19.000 0.011 0.000 1.278 581 A HN 0.119 nan 8.150 nan 0.000 0.408 582 Y N 0.639 121.019 120.300 0.133 0.000 2.499 582 Y HA 0.563 5.113 4.550 -0.001 0.000 0.347 582 Y C 0.845 176.809 175.900 0.107 0.000 0.987 582 Y CA -0.288 57.883 58.100 0.119 0.000 1.044 582 Y CB 2.413 40.959 38.460 0.144 0.000 1.245 582 Y HN 0.781 nan 8.280 nan 0.000 0.461 583 S N 2.216 118.052 115.700 0.226 0.000 2.528 583 S HA 0.344 4.813 4.470 -0.001 0.000 0.277 583 S C -2.900 171.779 174.600 0.132 0.000 1.297 583 S CA -1.565 56.715 58.200 0.132 0.000 1.052 583 S CB 0.696 63.951 63.200 0.092 0.000 0.917 583 S HN 0.295 nan 8.310 nan 0.000 0.492 584 P HA 0.309 nan 4.420 nan 0.000 0.267 584 P C 0.950 178.280 177.300 0.050 0.000 1.328 584 P CA 0.509 63.651 63.100 0.070 0.000 0.990 584 P CB 0.027 31.724 31.700 -0.004 0.000 1.168 585 G N 2.090 110.925 108.800 0.059 0.000 2.205 585 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.180 585 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.180 585 G C 0.136 175.048 174.900 0.020 0.000 1.004 585 G CA -0.564 44.551 45.100 0.023 0.000 0.670 585 G HN 0.580 nan 8.290 nan 0.000 0.496 586 Q N 2.300 122.128 119.800 0.047 0.000 2.274 586 Q HA 0.401 4.740 4.340 -0.001 0.000 0.280 586 Q C 0.953 176.946 176.000 -0.012 0.000 1.047 586 Q CA 0.679 56.509 55.803 0.045 0.000 0.907 586 Q CB 0.245 29.053 28.738 0.116 0.000 1.171 586 Q HN 0.541 nan 8.270 nan 0.000 0.381 587 T N 0.913 115.455 114.554 -0.020 0.000 2.888 587 T HA 0.326 4.675 4.350 -0.001 0.000 0.301 587 T C -0.150 174.496 174.700 -0.090 0.000 1.001 587 T CA -0.695 61.366 62.100 -0.065 0.000 1.147 587 T CB 1.164 70.017 68.868 -0.024 0.000 0.931 587 T HN 0.447 nan 8.240 nan 0.000 0.541 588 V N 2.198 121.975 119.914 -0.229 0.000 2.752 588 V HA 0.547 4.667 4.120 -0.001 0.000 0.302 588 V C -0.580 175.321 176.094 -0.322 0.000 1.133 588 V CA -0.760 61.418 62.300 -0.203 0.000 0.919 588 V CB 2.292 34.018 31.823 -0.161 0.000 1.026 588 V HN 1.138 nan 8.190 nan 0.000 0.429 589 S N 7.260 122.883 115.700 -0.128 0.000 2.523 589 S HA 0.647 5.116 4.470 -0.001 0.000 0.275 589 S C -0.412 174.182 174.600 -0.009 0.000 1.281 589 S CA -0.371 57.792 58.200 -0.063 0.000 1.050 589 S CB 1.187 64.389 63.200 0.004 0.000 0.937 589 S HN 1.115 nan 8.310 nan 0.000 0.492 590 L N 3.427 124.698 121.223 0.079 0.000 2.309 590 L HA 0.539 4.879 4.340 -0.001 0.000 0.282 590 L C -0.560 176.374 176.870 0.106 0.000 1.036 590 L CA -0.243 54.684 54.840 0.144 0.000 0.806 590 L CB 0.924 43.168 42.059 0.307 0.000 1.220 590 L HN 0.513 nan 8.230 nan 0.000 0.429 591 N N 4.699 123.452 118.700 0.088 0.000 2.405 591 N HA 0.509 5.249 4.740 -0.001 0.000 0.299 591 N C -1.036 174.482 175.510 0.014 0.000 1.075 591 N CA -0.490 52.594 53.050 0.057 0.000 0.884 591 N CB 1.901 40.443 38.487 0.093 0.000 1.194 591 N HN 0.566 nan 8.380 nan 0.000 0.491 592 M N 1.360 120.954 119.600 -0.010 0.000 2.578 592 M HA 0.627 5.107 4.480 -0.001 0.000 0.321 592 M C -0.669 175.613 176.300 -0.029 0.000 1.182 592 M CA -0.452 54.828 55.300 -0.034 0.000 0.965 592 M CB 2.121 34.694 32.600 -0.045 0.000 1.694 592 M HN 0.621 nan 8.290 nan 0.000 0.461 593 A N 0.922 123.717 122.820 -0.042 0.000 2.547 593 A HA 0.935 5.255 4.320 -0.001 0.000 0.297 593 A C -1.347 176.216 177.584 -0.035 0.000 1.056 593 A CA -0.625 51.394 52.037 -0.031 0.000 0.688 593 A CB 1.394 20.382 19.000 -0.020 0.000 1.282 593 A HN 0.716 nan 8.150 nan 0.000 0.400 594 T N 0.080 114.618 114.554 -0.027 0.000 3.047 594 T HA 0.496 4.845 4.350 -0.001 0.000 0.340 594 T C 0.837 175.526 174.700 -0.018 0.000 1.421 594 T CA -0.067 62.018 62.100 -0.025 0.000 1.090 594 T CB 1.432 70.279 68.868 -0.035 0.000 1.292 594 T HN 1.395 nan 8.240 nan 0.000 0.480 595 G N 1.151 109.944 108.800 -0.011 0.000 2.534 595 G HA2 0.203 4.162 3.960 -0.001 0.000 0.217 595 G HA3 0.203 4.162 3.960 -0.001 0.000 0.217 595 G C 0.352 175.248 174.900 -0.008 0.000 1.128 595 G CA 0.577 45.673 45.100 -0.006 0.000 0.784 595 G HN 0.489 nan 8.290 nan 0.000 0.542 596 M N 0.691 120.283 119.600 -0.015 0.000 2.484 596 M HA 0.272 4.751 4.480 -0.001 0.000 0.289 596 M C -1.548 174.728 176.300 -0.041 0.000 1.206 596 M CA -0.963 54.325 55.300 -0.019 0.000 0.892 596 M CB 2.041 34.636 32.600 -0.007 0.000 1.712 596 M HN -0.129 nan 8.290 nan 0.000 0.462 597 D N 1.802 122.168 120.400 -0.057 0.000 2.571 597 D HA 0.195 4.834 4.640 -0.001 0.000 0.231 597 D C -0.128 176.098 176.300 -0.123 0.000 1.133 597 D CA 0.889 54.826 54.000 -0.105 0.000 0.862 597 D CB 0.817 41.546 40.800 -0.118 0.000 1.179 597 D HN 0.493 nan 8.370 nan 0.000 0.474 598 S N 0.889 116.479 115.700 -0.182 0.000 2.587 598 S HA 0.386 4.855 4.470 -0.001 0.000 0.269 598 S C -1.952 172.524 174.600 -0.206 0.000 1.154 598 S CA -0.870 57.238 58.200 -0.154 0.000 0.824 598 S CB 0.536 63.713 63.200 -0.038 0.000 1.118 598 S HN 0.429 nan 8.310 nan 0.000 0.462 599 W N 2.762 124.070 121.300 0.012 0.000 2.316 599 W HA 0.562 5.221 4.660 -0.001 0.000 0.308 599 W C -0.094 176.420 176.519 -0.008 0.000 1.106 599 W CA -0.543 56.812 57.345 0.016 0.000 1.262 599 W CB 1.182 30.658 29.460 0.026 0.000 1.233 599 W HN 0.448 nan 8.180 nan 0.000 0.447 600 V N 2.760 122.846 119.914 0.287 0.000 3.234 600 V HA 0.819 4.938 4.120 -0.001 0.000 0.317 600 V C 0.184 176.350 176.094 0.121 0.000 1.081 600 V CA -1.205 61.177 62.300 0.136 0.000 1.037 600 V CB 1.566 33.440 31.823 0.086 0.000 1.148 600 V HN 0.547 nan 8.190 nan 0.000 0.453 601 A N 2.199 125.026 122.820 0.013 0.000 3.005 601 A HA 0.565 4.884 4.320 -0.001 0.000 0.308 601 A C -0.646 176.870 177.584 -0.114 0.000 1.173 601 A CA -0.511 51.497 52.037 -0.048 0.000 0.796 601 A CB -0.010 18.975 19.000 -0.025 0.000 1.325 601 A HN 0.682 nan 8.150 nan 0.000 0.467 602 L N 0.604 121.774 121.223 -0.088 0.000 2.479 602 L HA 0.511 4.850 4.340 -0.001 0.000 0.270 602 L C 0.785 177.562 176.870 -0.155 0.000 1.236 602 L CA 0.251 55.029 54.840 -0.104 0.000 0.823 602 L CB 0.660 42.680 42.059 -0.065 0.000 1.098 602 L HN 0.837 nan 8.230 nan 0.000 0.500 603 A N 1.355 124.112 122.820 -0.104 0.000 2.475 603 A HA 0.567 4.886 4.320 -0.001 0.000 0.300 603 A C -0.464 177.078 177.584 -0.071 0.000 1.089 603 A CA -0.271 51.786 52.037 0.033 0.000 0.948 603 A CB 0.492 19.590 19.000 0.163 0.000 1.508 603 A HN 0.733 nan 8.150 nan 0.000 0.385 604 A N 2.537 125.149 122.820 -0.346 0.000 2.774 604 A HA 0.589 4.909 4.320 -0.001 0.000 0.326 604 A C 0.303 177.600 177.584 -0.478 0.000 1.478 604 A CA -0.201 51.406 52.037 -0.716 0.000 1.099 604 A CB -0.425 17.389 19.000 -1.976 0.000 1.148 604 A HN 1.164 nan 8.150 nan 0.000 0.519 605 V N 1.314 121.210 119.914 -0.030 0.000 3.133 605 V HA 0.083 4.202 4.120 -0.001 0.000 0.305 605 V C 0.571 176.949 176.094 0.472 0.000 1.084 605 V CA -0.412 61.990 62.300 0.170 0.000 1.089 605 V CB 1.166 33.122 31.823 0.221 0.000 1.073 605 V HN 0.814 nan 8.190 nan 0.000 0.477 606 D N 1.196 121.898 120.400 0.503 0.000 2.365 606 D HA 0.127 4.766 4.640 -0.001 0.000 0.237 606 D C 1.387 177.824 176.300 0.228 0.000 1.190 606 D CA 0.373 54.627 54.000 0.425 0.000 0.867 606 D CB 0.989 41.984 40.800 0.325 0.000 1.050 606 D HN 0.635 nan 8.370 nan 0.000 0.491 607 S N 2.932 118.776 115.700 0.240 0.000 2.481 607 S HA -0.303 4.167 4.470 -0.001 0.000 0.253 607 S C 1.959 176.676 174.600 0.194 0.000 0.998 607 S CA 0.913 59.266 58.200 0.255 0.000 0.972 607 S CB -0.391 62.925 63.200 0.193 0.000 0.751 607 S HN 0.500 nan 8.310 nan 0.000 0.515 608 A N 3.130 126.051 122.820 0.169 0.000 1.849 608 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 608 A C 2.477 180.170 177.584 0.182 0.000 1.202 608 A CA 2.546 54.739 52.037 0.260 0.000 0.629 608 A CB -1.773 17.498 19.000 0.452 0.000 0.834 608 A HN 1.262 nan 8.150 nan 0.000 0.447 609 V N -1.701 118.103 119.914 -0.183 0.000 2.289 609 V HA -0.448 3.672 4.120 -0.001 0.000 0.243 609 V C 1.974 177.876 176.094 -0.321 0.000 1.004 609 V CA 2.450 64.332 62.300 -0.697 0.000 1.049 609 V CB -2.143 29.078 31.823 -1.003 0.000 0.692 609 V HN 0.618 nan 8.190 nan 0.000 0.500 610 Y N 2.380 122.619 120.300 -0.101 0.000 1.740 610 Y HA 0.123 4.673 4.550 -0.001 0.000 0.187 610 Y C 2.573 178.467 175.900 -0.009 0.000 0.969 610 Y CA 2.403 60.475 58.100 -0.046 0.000 0.902 610 Y CB -1.838 36.608 38.460 -0.024 0.000 0.810 610 Y HN 1.065 nan 8.280 nan 0.000 0.585 611 G N -0.692 108.244 108.800 0.227 0.000 2.889 611 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.308 611 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.308 611 G C 0.051 175.002 174.900 0.084 0.000 1.248 611 G CA 1.121 46.300 45.100 0.132 0.000 0.982 611 G HN 1.201 nan 8.290 nan 0.000 0.571 612 V N -0.611 119.344 119.914 0.068 0.000 2.568 612 V HA 0.349 4.468 4.120 -0.001 0.000 0.270 612 V C 0.705 176.825 176.094 0.043 0.000 0.963 612 V CA 2.053 64.380 62.300 0.045 0.000 1.161 612 V CB -0.545 31.301 31.823 0.038 0.000 0.969 612 V HN 1.976 nan 8.190 nan 0.000 0.464 613 Q N 2.171 121.993 119.800 0.037 0.000 2.430 613 Q HA -0.253 4.087 4.340 -0.001 0.000 0.365 613 Q C 0.318 176.346 176.000 0.047 0.000 1.399 613 Q CA 1.116 56.942 55.803 0.038 0.000 1.050 613 Q CB -0.588 28.169 28.738 0.032 0.000 1.201 613 Q HN 1.034 nan 8.270 nan 0.000 0.320 614 R N 2.342 122.871 120.500 0.048 0.000 2.459 614 R HA 0.266 4.606 4.340 -0.001 0.000 0.301 614 R C 0.604 176.922 176.300 0.029 0.000 1.286 614 R CA 0.685 56.813 56.100 0.047 0.000 1.046 614 R CB -0.068 30.250 30.300 0.031 0.000 1.071 614 R HN 0.569 nan 8.270 nan 0.000 0.512 615 G N 2.905 111.729 108.800 0.040 0.000 2.228 615 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.242 615 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.242 615 G C 1.087 176.005 174.900 0.030 0.000 0.987 615 G CA 0.169 45.295 45.100 0.043 0.000 0.893 615 G HN 0.873 nan 8.290 nan 0.000 0.418 616 A N 3.114 125.957 122.820 0.038 0.000 1.859 616 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 616 A C 2.297 179.894 177.584 0.022 0.000 1.209 616 A CA 2.688 54.742 52.037 0.029 0.000 0.639 616 A CB -0.779 18.244 19.000 0.038 0.000 0.835 616 A HN 1.192 nan 8.150 nan 0.000 0.450 617 K N -2.285 118.135 120.400 0.033 0.000 1.858 617 K HA -0.254 4.066 4.320 -0.001 0.000 0.111 617 K C -0.208 176.405 176.600 0.022 0.000 1.078 617 K CA 2.352 58.658 56.287 0.031 0.000 0.417 617 K CB -0.452 32.065 32.500 0.027 0.000 0.587 617 K HN 0.529 nan 8.250 nan 0.000 0.950 618 K N -1.297 119.108 120.400 0.009 0.000 2.610 618 K HA 0.215 4.535 4.320 -0.001 0.000 0.278 618 K C -2.360 174.225 176.600 -0.025 0.000 0.964 618 K CA -0.729 55.559 56.287 0.001 0.000 0.859 618 K CB 1.581 34.096 32.500 0.025 0.000 1.434 618 K HN 0.221 nan 8.250 nan 0.000 0.410 619 P HA 0.006 nan 4.420 nan 0.000 0.209 619 P C 1.307 178.563 177.300 -0.073 0.000 1.201 619 P CA 0.313 63.366 63.100 -0.079 0.000 0.911 619 P CB 0.257 31.910 31.700 -0.079 0.000 0.758 620 L N -0.158 121.044 121.223 -0.036 0.000 2.395 620 L HA 0.029 4.369 4.340 -0.001 0.000 0.218 620 L C 2.105 179.020 176.870 0.074 0.000 1.130 620 L CA 1.584 56.415 54.840 -0.015 0.000 0.826 620 L CB -1.043 41.036 42.059 0.032 0.000 0.941 620 L HN -0.045 nan 8.230 nan 0.000 0.451 621 E N -0.248 120.009 120.200 0.095 0.000 2.107 621 E HA -0.274 4.076 4.350 -0.001 0.000 0.191 621 E C 2.261 178.925 176.600 0.106 0.000 0.982 621 E CA 0.617 57.108 56.400 0.151 0.000 0.809 621 E CB -0.106 29.653 29.700 0.098 0.000 0.756 621 E HN 0.518 nan 8.360 nan 0.000 0.459 622 R N 0.265 120.782 120.500 0.028 0.000 2.191 622 R HA -0.251 4.089 4.340 -0.001 0.000 0.248 622 R C 2.260 178.557 176.300 -0.005 0.000 1.127 622 R CA 2.505 58.603 56.100 -0.002 0.000 0.943 622 R CB -0.623 29.638 30.300 -0.065 0.000 0.891 622 R HN 0.152 nan 8.270 nan 0.000 0.439 623 V N 0.068 119.915 119.914 -0.112 0.000 2.237 623 V HA -0.244 3.875 4.120 -0.001 0.000 0.245 623 V C 2.089 178.204 176.094 0.037 0.000 1.046 623 V CA 2.167 64.347 62.300 -0.201 0.000 1.007 623 V CB -0.588 30.941 31.823 -0.489 0.000 0.638 623 V HN 0.365 nan 8.190 nan 0.000 0.445 624 F N -0.012 119.938 119.950 -0.001 0.000 2.236 624 F HA -0.277 4.249 4.527 -0.001 0.000 0.302 624 F C 2.519 178.362 175.800 0.071 0.000 1.073 624 F CA 1.455 59.478 58.000 0.038 0.000 1.336 624 F CB -0.012 39.002 39.000 0.022 0.000 1.040 624 F HN 0.295 nan 8.300 nan 0.000 0.507 625 Q N -0.228 119.736 119.800 0.273 0.000 1.858 625 Q HA -0.221 4.118 4.340 -0.001 0.000 0.224 625 Q C 2.083 178.209 176.000 0.209 0.000 0.980 625 Q CA 1.842 57.768 55.803 0.206 0.000 0.868 625 Q CB -0.962 27.876 28.738 0.166 0.000 0.920 625 Q HN 0.414 nan 8.270 nan 0.000 0.427 626 F N 1.982 121.981 119.950 0.080 0.000 2.054 626 F HA -0.347 4.180 4.527 -0.001 0.000 0.294 626 F C 2.149 177.974 175.800 0.041 0.000 1.126 626 F CA 2.098 60.149 58.000 0.085 0.000 1.226 626 F CB -0.641 38.435 39.000 0.126 0.000 0.947 626 F HN 0.168 nan 8.300 nan 0.000 0.509 627 L N 0.833 122.221 121.223 0.274 0.000 2.456 627 L HA -0.207 4.132 4.340 -0.001 0.000 0.225 627 L C 0.891 177.602 176.870 -0.264 0.000 1.142 627 L CA 1.923 56.712 54.840 -0.085 0.000 0.796 627 L CB -0.792 41.331 42.059 0.106 0.000 0.920 627 L HN 0.614 nan 8.230 nan 0.000 0.446 628 E N -1.653 118.508 120.200 -0.064 0.000 3.659 628 E HA 0.131 4.480 4.350 -0.001 0.000 0.217 628 E C 0.170 176.760 176.600 -0.016 0.000 1.141 628 E CA -0.582 55.821 56.400 0.004 0.000 1.340 628 E CB 0.471 30.259 29.700 0.148 0.000 1.295 628 E HN 0.074 nan 8.360 nan 0.000 0.434 629 K N 0.386 120.707 120.400 -0.132 0.000 2.374 629 K HA 0.045 4.364 4.320 -0.001 0.000 0.196 629 K C 1.441 178.033 176.600 -0.014 0.000 1.023 629 K CA 0.435 56.672 56.287 -0.084 0.000 1.103 629 K CB 0.486 32.886 32.500 -0.165 0.000 0.848 629 K HN 0.401 nan 8.250 nan 0.000 0.528 630 S N -0.174 115.544 115.700 0.031 0.000 2.603 630 S HA -0.059 4.410 4.470 -0.001 0.000 0.229 630 S C 0.427 175.083 174.600 0.093 0.000 0.972 630 S CA -0.061 58.209 58.200 0.116 0.000 0.935 630 S CB -0.391 62.950 63.200 0.233 0.000 0.769 630 S HN 0.166 nan 8.310 nan 0.000 0.536 631 D N 0.913 121.365 120.400 0.087 0.000 2.346 631 D HA 0.282 4.921 4.640 -0.001 0.000 0.260 631 D C 1.030 177.377 176.300 0.078 0.000 1.252 631 D CA -0.091 53.973 54.000 0.106 0.000 0.895 631 D CB 0.454 41.346 40.800 0.153 0.000 1.097 631 D HN 0.170 nan 8.370 nan 0.000 0.489 632 L N 2.916 124.181 121.223 0.070 0.000 2.056 632 L HA 0.107 4.447 4.340 -0.001 0.000 0.207 632 L C 1.833 178.743 176.870 0.067 0.000 1.078 632 L CA 0.774 55.645 54.840 0.051 0.000 0.749 632 L CB -0.717 41.358 42.059 0.028 0.000 0.901 632 L HN 0.422 nan 8.230 nan 0.000 0.433 633 G N -1.858 106.995 108.800 0.089 0.000 2.516 633 G HA2 0.336 4.296 3.960 -0.001 0.000 0.276 633 G HA3 0.336 4.296 3.960 -0.001 0.000 0.276 633 G C -0.991 173.955 174.900 0.075 0.000 1.390 633 G CA 0.005 45.164 45.100 0.099 0.000 1.050 633 G HN 0.290 nan 8.290 nan 0.000 0.519 634 c N -2.829 115.812 118.600 0.067 0.000 3.312 634 c HA 0.821 5.391 4.570 -0.001 0.000 0.332 634 c C 0.294 174.398 174.090 0.023 0.000 1.340 634 c CA 1.226 57.566 56.329 0.018 0.000 1.265 634 c CB 0.676 43.184 42.510 -0.003 0.000 1.563 634 c HN 2.536 nan 8.230 nan 0.000 0.471 635 G N 1.175 109.950 108.800 -0.040 0.000 2.498 635 G HA2 0.433 4.392 3.960 -0.001 0.000 0.651 635 G HA3 0.433 4.392 3.960 -0.001 0.000 0.651 635 G C 0.476 175.358 174.900 -0.030 0.000 1.284 635 G CA 0.135 45.227 45.100 -0.014 0.000 0.950 635 G HN 2.198 nan 8.290 nan 0.000 0.511 636 A N -0.658 122.178 122.820 0.025 0.000 2.168 636 A HA 0.627 4.946 4.320 -0.001 0.000 0.215 636 A C 2.048 179.751 177.584 0.198 0.000 1.152 636 A CA 2.315 54.413 52.037 0.103 0.000 0.716 636 A CB -0.722 18.323 19.000 0.074 0.000 0.794 636 A HN 2.880 nan 8.150 nan 0.000 0.465 637 G N -3.294 105.613 108.800 0.178 0.000 2.381 637 G HA2 0.497 4.456 3.960 -0.001 0.000 0.672 637 G HA3 0.497 4.456 3.960 -0.001 0.000 0.672 637 G C 0.426 175.449 174.900 0.206 0.000 1.324 637 G CA -0.172 45.040 45.100 0.187 0.000 0.975 637 G HN 2.221 nan 8.290 nan 0.000 0.593 638 G N -1.023 107.855 108.800 0.131 0.000 3.293 638 G HA2 0.455 4.415 3.960 -0.001 0.000 0.683 638 G HA3 0.455 4.415 3.960 -0.001 0.000 0.683 638 G C 1.103 176.013 174.900 0.016 0.000 1.352 638 G CA 0.919 46.069 45.100 0.082 0.000 1.179 638 G HN 2.294 nan 8.290 nan 0.000 0.590 639 G N -0.593 108.032 108.800 -0.291 0.000 3.329 639 G HA2 0.681 4.640 3.960 -0.001 0.000 0.180 639 G HA3 0.681 4.640 3.960 -0.001 0.000 0.180 639 G C 0.858 175.041 174.900 -1.195 0.000 1.640 639 G CA 0.723 45.408 45.100 -0.691 0.000 1.018 639 G HN 1.589 nan 8.290 nan 0.000 0.581 640 L N -1.141 119.550 121.223 -0.887 0.000 3.337 640 L HA 0.412 4.751 4.340 -0.001 0.000 0.313 640 L C -0.811 175.709 176.870 -0.584 0.000 1.071 640 L CA 0.075 54.500 54.840 -0.691 0.000 1.192 640 L CB -0.177 41.559 42.059 -0.538 0.000 1.895 640 L HN 0.477 nan 8.230 nan 0.000 0.596 641 N N -0.114 118.211 118.700 -0.625 0.000 2.242 641 N HA 0.188 4.928 4.740 -0.001 0.000 0.292 641 N C 0.263 175.467 175.510 -0.510 0.000 1.125 641 N CA -0.183 52.567 53.050 -0.501 0.000 0.783 641 N CB 0.962 39.357 38.487 -0.154 0.000 1.558 641 N HN 0.028 nan 8.380 nan 0.000 0.472 642 N N 1.016 119.523 118.700 -0.323 0.000 2.247 642 N HA -0.254 4.486 4.740 -0.001 0.000 0.189 642 N C 1.274 176.774 175.510 -0.017 0.000 1.009 642 N CA 1.401 54.396 53.050 -0.092 0.000 0.872 642 N CB 0.177 38.760 38.487 0.160 0.000 0.980 642 N HN 0.625 nan 8.380 nan 0.000 0.436 643 A N 1.415 124.255 122.820 0.033 0.000 1.835 643 A HA -0.223 4.096 4.320 -0.001 0.000 0.215 643 A C 2.049 179.668 177.584 0.057 0.000 1.199 643 A CA 1.739 53.855 52.037 0.132 0.000 0.615 643 A CB -1.338 17.779 19.000 0.195 0.000 0.838 643 A HN 0.617 nan 8.150 nan 0.000 0.444 644 N N -0.454 118.214 118.700 -0.053 0.000 2.094 644 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 644 N C 1.633 177.068 175.510 -0.124 0.000 1.023 644 N CA 1.604 54.598 53.050 -0.094 0.000 0.857 644 N CB -0.156 38.181 38.487 -0.251 0.000 1.013 644 N HN 0.225 nan 8.380 nan 0.000 0.426 645 V N 0.258 120.028 119.914 -0.240 0.000 2.295 645 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 645 V C 1.784 177.769 176.094 -0.182 0.000 1.049 645 V CA 1.686 63.843 62.300 -0.238 0.000 1.024 645 V CB -0.810 30.825 31.823 -0.313 0.000 0.648 645 V HN 0.321 nan 8.190 nan 0.000 0.447 646 F N -0.875 118.934 119.950 -0.235 0.000 2.234 646 F HA -0.153 4.374 4.527 -0.001 0.000 0.299 646 F C 2.501 178.239 175.800 -0.103 0.000 1.087 646 F CA 1.731 59.555 58.000 -0.293 0.000 1.340 646 F CB -0.244 38.264 39.000 -0.819 0.000 1.031 646 F HN 0.233 nan 8.300 nan 0.000 0.500 647 H N 0.568 119.680 119.070 0.070 0.000 2.267 647 H HA -0.111 4.444 4.556 -0.001 0.000 0.302 647 H C 2.276 177.623 175.328 0.032 0.000 1.056 647 H CA 1.821 57.904 56.048 0.058 0.000 1.269 647 H CB -0.822 28.958 29.762 0.029 0.000 1.385 647 H HN 0.154 nan 8.280 nan 0.000 0.501 648 L N 0.757 122.089 121.223 0.182 0.000 2.456 648 L HA -0.173 4.166 4.340 -0.001 0.000 0.225 648 L C 2.399 179.335 176.870 0.110 0.000 1.142 648 L CA 0.929 55.823 54.840 0.091 0.000 0.796 648 L CB -0.407 41.675 42.059 0.039 0.000 0.920 648 L HN 0.331 nan 8.230 nan 0.000 0.446 649 A N -0.548 122.336 122.820 0.107 0.000 2.239 649 A HA 0.189 4.508 4.320 -0.001 0.000 0.209 649 A C 1.906 179.558 177.584 0.113 0.000 1.171 649 A CA 0.743 52.836 52.037 0.094 0.000 0.768 649 A CB -0.773 18.261 19.000 0.057 0.000 0.790 649 A HN 0.535 nan 8.150 nan 0.000 0.478 650 G N -1.549 107.330 108.800 0.131 0.000 2.175 650 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.265 650 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.265 650 G C 0.180 175.115 174.900 0.058 0.000 0.979 650 G CA 0.726 45.886 45.100 0.100 0.000 0.663 650 G HN 0.470 nan 8.290 nan 0.000 0.533 651 L N -0.457 120.819 121.223 0.089 0.000 2.375 651 L HA 0.797 5.137 4.340 -0.001 0.000 0.268 651 L C 0.538 177.419 176.870 0.019 0.000 1.058 651 L CA -0.457 54.426 54.840 0.072 0.000 0.803 651 L CB 2.072 44.251 42.059 0.201 0.000 1.212 651 L HN 0.164 nan 8.230 nan 0.000 0.451 652 T N 1.333 115.880 114.554 -0.012 0.000 2.916 652 T HA 0.663 5.013 4.350 -0.001 0.000 0.305 652 T C -1.202 173.540 174.700 0.070 0.000 1.119 652 T CA -0.416 61.741 62.100 0.094 0.000 1.008 652 T CB 1.083 69.884 68.868 -0.112 0.000 1.129 652 T HN 0.367 nan 8.240 nan 0.000 0.480 653 F N 1.928 121.639 119.950 -0.398 0.000 2.603 653 F HA 0.866 5.393 4.527 -0.001 0.000 0.317 653 F C -1.377 174.190 175.800 -0.388 0.000 1.066 653 F CA -1.496 56.220 58.000 -0.472 0.000 0.941 653 F CB 1.114 39.547 39.000 -0.945 0.000 1.291 653 F HN 0.277 nan 8.300 nan 0.000 0.472 654 L N 2.368 123.378 121.223 -0.355 0.000 2.313 654 L HA 0.564 4.903 4.340 -0.001 0.000 0.273 654 L C -0.867 175.757 176.870 -0.410 0.000 1.028 654 L CA -0.122 54.471 54.840 -0.412 0.000 0.871 654 L CB 0.650 42.536 42.059 -0.288 0.000 1.242 654 L HN 0.842 nan 8.230 nan 0.000 0.434 655 T N 3.203 117.503 114.554 -0.422 0.000 3.109 655 T HA 0.331 4.680 4.350 -0.001 0.000 0.311 655 T C -0.256 174.380 174.700 -0.105 0.000 1.011 655 T CA -0.630 61.331 62.100 -0.230 0.000 1.026 655 T CB 1.105 69.930 68.868 -0.071 0.000 1.047 655 T HN 0.378 nan 8.240 nan 0.000 0.448 656 N N 1.975 120.770 118.700 0.157 0.000 2.411 656 N HA 0.494 5.233 4.740 -0.001 0.000 0.259 656 N C 0.568 176.114 175.510 0.060 0.000 1.103 656 N CA -0.087 53.036 53.050 0.121 0.000 0.954 656 N CB 0.849 39.394 38.487 0.097 0.000 1.085 656 N HN 0.808 nan 8.380 nan 0.000 0.485 657 A N 3.416 126.231 122.820 -0.008 0.000 3.556 657 A HA -0.040 4.279 4.320 -0.001 0.000 0.182 657 A C -0.357 177.220 177.584 -0.011 0.000 1.301 657 A CA -0.280 51.746 52.037 -0.017 0.000 1.202 657 A CB -0.335 18.667 19.000 0.002 0.000 0.862 657 A HN 0.595 nan 8.150 nan 0.000 0.409 658 N N -0.307 118.395 118.700 0.004 0.000 2.459 658 N HA 0.589 5.328 4.740 -0.001 0.000 0.288 658 N C -0.141 175.357 175.510 -0.021 0.000 1.186 658 N CA -0.120 52.945 53.050 0.024 0.000 0.917 658 N CB 1.525 40.071 38.487 0.098 0.000 1.219 658 N HN 0.698 nan 8.380 nan 0.000 0.525 659 A N 1.275 124.096 122.820 0.001 0.000 2.785 659 A HA 0.041 4.360 4.320 -0.001 0.000 0.294 659 A C -0.061 177.483 177.584 -0.067 0.000 1.597 659 A CA -0.238 51.775 52.037 -0.041 0.000 1.283 659 A CB -0.907 18.091 19.000 -0.003 0.000 1.088 659 A HN 0.767 nan 8.150 nan 0.000 0.568 660 D N 1.498 121.673 120.400 -0.375 0.000 2.370 660 D HA -0.038 4.601 4.640 -0.001 0.000 0.256 660 D C 0.463 176.472 176.300 -0.486 0.000 1.197 660 D CA 0.504 53.860 54.000 -1.073 0.000 0.922 660 D CB -0.453 38.998 40.800 -2.249 0.000 0.911 660 D HN 0.769 nan 8.370 nan 0.000 0.517 661 D N 0.230 120.543 120.400 -0.145 0.000 2.111 661 D HA 0.080 4.719 4.640 -0.001 0.000 0.247 661 D C -0.037 176.262 176.300 -0.002 0.000 1.266 661 D CA -0.006 53.950 54.000 -0.072 0.000 0.959 661 D CB 0.157 40.945 40.800 -0.021 0.000 1.258 661 D HN 0.050 nan 8.370 nan 0.000 0.534 662 S N -3.208 112.506 115.700 0.024 0.000 2.927 662 S HA 0.024 4.494 4.470 -0.001 0.000 0.136 662 S C -1.001 173.700 174.600 0.168 0.000 0.831 662 S CA -1.076 57.176 58.200 0.087 0.000 0.882 662 S CB -0.370 62.637 63.200 -0.322 0.000 1.612 662 S HN 0.450 nan 8.310 nan 0.000 0.579 663 Q N 2.722 122.609 119.800 0.145 0.000 3.752 663 Q HA -0.133 4.207 4.340 -0.001 0.000 0.392 663 Q C 1.103 177.151 176.000 0.080 0.000 1.028 663 Q CA 1.683 57.537 55.803 0.085 0.000 1.306 663 Q CB -0.645 28.128 28.738 0.058 0.000 1.018 663 Q HN 0.893 nan 8.270 nan 0.000 0.460 664 E N 0.592 120.828 120.200 0.059 0.000 3.996 664 E HA -0.325 4.024 4.350 -0.001 0.000 0.192 664 E C 0.601 177.234 176.600 0.055 0.000 1.191 664 E CA 1.535 57.967 56.400 0.053 0.000 2.324 664 E CB -0.962 28.765 29.700 0.044 0.000 1.801 664 E HN 0.739 nan 8.360 nan 0.000 0.390 665 N N 0.925 119.661 118.700 0.060 0.000 2.196 665 N HA 0.031 4.770 4.740 -0.001 0.000 0.115 665 N C -1.302 174.245 175.510 0.062 0.000 1.544 665 N CA 0.787 53.865 53.050 0.046 0.000 1.134 665 N CB 1.233 39.743 38.487 0.039 0.000 1.116 665 N HN 0.288 nan 8.380 nan 0.000 0.315 666 D N 0.938 121.379 120.400 0.069 0.000 3.198 666 D HA -0.007 4.633 4.640 -0.001 0.000 0.237 666 D C -1.370 174.965 176.300 0.057 0.000 1.468 666 D CA -0.205 53.867 54.000 0.119 0.000 0.948 666 D CB -0.687 40.179 40.800 0.110 0.000 1.479 666 D HN 0.444 nan 8.370 nan 0.000 0.611 667 E N -0.048 120.155 120.200 0.005 0.000 1.626 667 E HA -0.189 4.160 4.350 -0.001 0.000 0.273 667 E C -1.907 174.687 176.600 -0.010 0.000 1.490 667 E CA 0.089 56.467 56.400 -0.035 0.000 0.961 667 E CB -1.043 28.584 29.700 -0.121 0.000 0.824 667 E HN 0.356 nan 8.360 nan 0.000 0.316 668 P HA -0.017 nan 4.420 nan 0.000 0.301 668 P C 0.607 177.904 177.300 -0.005 0.000 1.560 668 P CA -0.161 62.939 63.100 0.001 0.000 0.784 668 P CB -0.445 31.257 31.700 0.003 0.000 1.715 669 c N 0.952 119.544 118.600 -0.012 0.000 2.468 669 c HA 0.013 4.582 4.570 -0.001 0.000 0.389 669 c C 0.737 174.819 174.090 -0.014 0.000 1.384 669 c CA 0.370 56.689 56.329 -0.017 0.000 1.617 669 c CB -1.083 41.416 42.510 -0.018 0.000 2.572 669 c HN 0.363 nan 8.230 nan 0.000 0.592 670 K N 3.376 123.764 120.400 -0.020 0.000 2.805 670 K HA 0.292 4.612 4.320 -0.001 0.000 0.276 670 K C -0.257 176.327 176.600 -0.027 0.000 1.209 670 K CA 0.179 56.454 56.287 -0.019 0.000 1.065 670 K CB -0.291 32.203 32.500 -0.010 0.000 1.363 670 K HN 0.887 nan 8.250 nan 0.000 0.546 671 E N 2.964 123.139 120.200 -0.042 0.000 2.497 671 E HA -0.223 4.126 4.350 -0.001 0.000 0.273 671 E C 0.158 176.728 176.600 -0.050 0.000 1.045 671 E CA 0.757 57.126 56.400 -0.052 0.000 0.797 671 E CB -1.151 28.532 29.700 -0.029 0.000 1.352 671 E HN 0.671 nan 8.360 nan 0.000 0.399 672 I N 0.550 121.082 120.570 -0.063 0.000 3.968 672 I HA 0.126 4.296 4.170 -0.001 0.000 0.328 672 I C 1.127 177.194 176.117 -0.082 0.000 1.290 672 I CA -0.193 61.083 61.300 -0.041 0.000 1.163 672 I CB 0.361 38.344 38.000 -0.028 0.000 1.024 672 I HN 0.263 nan 8.210 nan 0.000 0.413 680 Q N 1.918 121.728 119.800 0.016 0.000 2.451 680 Q HA 0.008 4.347 4.340 -0.001 0.000 0.206 680 Q C 1.069 177.077 176.000 0.013 0.000 0.947 680 Q CA 0.992 56.802 55.803 0.011 0.000 0.937 680 Q CB 0.284 29.040 28.738 0.029 0.000 1.025 680 Q HN 0.499 nan 8.270 nan 0.000 0.511 681 K N 0.657 121.072 120.400 0.025 0.000 2.186 681 K HA -0.061 4.259 4.320 -0.001 0.000 0.202 681 K C 1.936 178.552 176.600 0.027 0.000 1.052 681 K CA 1.059 57.367 56.287 0.035 0.000 0.965 681 K CB 0.082 32.606 32.500 0.040 0.000 0.746 681 K HN -0.001 nan 8.250 nan 0.000 0.457 682 K N 2.174 122.584 120.400 0.017 0.000 2.281 682 K HA -0.098 4.221 4.320 -0.001 0.000 0.203 682 K C 1.452 178.058 176.600 0.011 0.000 1.046 682 K CA 1.336 57.630 56.287 0.012 0.000 0.938 682 K CB -0.173 32.331 32.500 0.006 0.000 0.737 682 K HN 0.194 nan 8.250 nan 0.000 0.458 683 I N -0.227 120.346 120.570 0.005 0.000 2.731 683 I HA -0.015 4.154 4.170 -0.001 0.000 0.260 683 I C 1.656 177.789 176.117 0.027 0.000 1.138 683 I CA 0.508 61.809 61.300 0.001 0.000 1.461 683 I CB -0.234 37.748 38.000 -0.031 0.000 1.128 683 I HN 0.095 nan 8.210 nan 0.000 0.438 684 E N 1.643 121.867 120.200 0.040 0.000 2.515 684 E HA -0.188 4.161 4.350 -0.001 0.000 0.201 684 E C 1.767 178.412 176.600 0.074 0.000 1.071 684 E CA 0.685 57.136 56.400 0.085 0.000 0.880 684 E CB 0.001 29.766 29.700 0.109 0.000 0.828 684 E HN 0.647 nan 8.360 nan 0.000 0.540 685 E N 0.810 121.042 120.200 0.052 0.000 2.076 685 E HA -0.128 4.221 4.350 -0.001 0.000 0.190 685 E C 1.504 178.134 176.600 0.050 0.000 0.979 685 E CA 0.605 57.031 56.400 0.044 0.000 0.807 685 E CB -0.103 29.617 29.700 0.033 0.000 0.761 685 E HN 0.150 nan 8.360 nan 0.000 0.454 686 I N 1.942 122.543 120.570 0.052 0.000 3.555 686 I HA 0.016 4.185 4.170 -0.001 0.000 0.304 686 I C 1.849 178.014 176.117 0.080 0.000 1.246 686 I CA 0.518 61.852 61.300 0.057 0.000 1.220 686 I CB -1.444 36.584 38.000 0.047 0.000 1.001 686 I HN 0.145 nan 8.210 nan 0.000 0.513 687 A N 1.172 124.045 122.820 0.088 0.000 2.216 687 A HA 0.052 4.371 4.320 -0.001 0.000 0.214 687 A C 2.471 180.122 177.584 0.111 0.000 1.160 687 A CA 1.133 53.233 52.037 0.104 0.000 0.725 687 A CB -0.257 18.790 19.000 0.078 0.000 0.784 687 A HN 0.435 nan 8.150 nan 0.000 0.472 688 A N 1.034 123.906 122.820 0.086 0.000 2.139 688 A HA -0.164 4.155 4.320 -0.001 0.000 0.221 688 A C 1.813 179.451 177.584 0.089 0.000 1.159 688 A CA 1.586 53.671 52.037 0.080 0.000 0.662 688 A CB -0.475 18.558 19.000 0.054 0.000 0.796 688 A HN 0.717 nan 8.150 nan 0.000 0.463 689 K N -1.006 119.451 120.400 0.095 0.000 2.469 689 K HA 0.114 4.434 4.320 -0.001 0.000 0.201 689 K C 0.051 176.708 176.600 0.095 0.000 1.028 689 K CA -0.648 55.686 56.287 0.078 0.000 1.170 689 K CB -0.398 32.143 32.500 0.069 0.000 0.874 689 K HN 0.369 nan 8.250 nan 0.000 0.507 690 Y N 3.632 123.951 120.300 0.032 0.000 2.712 690 Y HA -0.140 4.409 4.550 -0.001 0.000 0.333 690 Y C 0.493 176.417 175.900 0.039 0.000 1.225 690 Y CA 0.442 58.560 58.100 0.029 0.000 1.499 690 Y CB 0.645 39.108 38.460 0.006 0.000 1.288 690 Y HN 0.322 nan 8.280 nan 0.000 0.575 691 K N 2.825 122.737 120.400 -0.813 0.000 2.564 691 K HA 0.143 4.462 4.320 -0.001 0.000 0.177 691 K C -1.042 175.342 176.600 -0.359 0.000 1.518 691 K CA -0.366 55.509 56.287 -0.687 0.000 1.076 691 K CB -0.354 31.992 32.500 -0.256 0.000 1.335 691 K HN 0.749 nan 8.250 nan 0.000 0.571 692 H N -0.759 118.115 119.070 -0.327 0.000 2.929 692 H HA 0.095 4.651 4.556 -0.001 0.000 0.268 692 H C 0.158 175.639 175.328 0.255 0.000 1.333 692 H CA 0.148 56.228 56.048 0.053 0.000 1.422 692 H CB 1.300 31.064 29.762 0.003 0.000 1.897 692 H HN -0.047 nan 8.280 nan 0.000 0.491 693 S N 0.870 116.326 115.700 -0.406 0.000 2.351 693 S HA -0.130 4.339 4.470 -0.001 0.000 0.220 693 S C 1.713 176.210 174.600 -0.171 0.000 1.035 693 S CA 1.989 60.027 58.200 -0.270 0.000 1.031 693 S CB -0.387 62.595 63.200 -0.364 0.000 0.928 693 S HN 0.381 nan 8.310 nan 0.000 0.433 694 V N 1.819 121.587 119.914 -0.243 0.000 2.546 694 V HA -0.129 3.990 4.120 -0.001 0.000 0.254 694 V C 2.403 178.572 176.094 0.126 0.000 1.076 694 V CA 1.647 63.981 62.300 0.057 0.000 1.087 694 V CB -0.834 31.133 31.823 0.239 0.000 0.674 694 V HN 0.449 nan 8.190 nan 0.000 0.470 695 V N 0.249 120.260 119.914 0.162 0.000 2.453 695 V HA -0.217 3.902 4.120 -0.001 0.000 0.247 695 V C 2.481 178.661 176.094 0.143 0.000 1.048 695 V CA 2.071 64.462 62.300 0.152 0.000 1.049 695 V CB -0.621 31.289 31.823 0.146 0.000 0.672 695 V HN 0.600 nan 8.190 nan 0.000 0.457 696 K N 1.580 122.056 120.400 0.127 0.000 2.103 696 K HA -0.253 4.067 4.320 -0.001 0.000 0.207 696 K C 1.987 178.664 176.600 0.128 0.000 1.048 696 K CA 2.057 58.411 56.287 0.112 0.000 0.930 696 K CB -0.352 32.169 32.500 0.035 0.000 0.716 696 K HN 0.320 nan 8.250 nan 0.000 0.444 697 K N -0.335 120.120 120.400 0.091 0.000 2.228 697 K HA 0.029 4.349 4.320 -0.001 0.000 0.202 697 K C 1.695 178.399 176.600 0.173 0.000 1.051 697 K CA 1.154 57.513 56.287 0.120 0.000 0.960 697 K CB -0.512 32.024 32.500 0.060 0.000 0.743 697 K HN 0.275 nan 8.250 nan 0.000 0.458 698 c N -0.578 118.121 118.600 0.166 0.000 2.435 698 c HA -0.038 4.532 4.570 -0.001 0.000 0.279 698 c C 2.761 177.045 174.090 0.323 0.000 1.321 698 c CA 0.585 57.035 56.329 0.202 0.000 1.752 698 c CB -0.926 41.681 42.510 0.161 0.000 1.959 698 c HN 0.710 nan 8.230 nan 0.000 0.500 699 c N -1.946 116.805 118.600 0.252 0.000 2.568 699 c HA 0.099 4.669 4.570 -0.001 0.000 0.284 699 c C 2.301 176.512 174.090 0.202 0.000 1.338 699 c CA 0.192 56.648 56.329 0.211 0.000 1.724 699 c CB -1.324 41.288 42.510 0.170 0.000 2.131 699 c HN 0.660 nan 8.230 nan 0.000 0.513 700 Y N 2.561 122.916 120.300 0.091 0.000 1.993 700 Y HA -0.306 4.243 4.550 -0.001 0.000 0.237 700 Y C 2.359 178.306 175.900 0.079 0.000 1.071 700 Y CA 2.628 60.769 58.100 0.067 0.000 1.046 700 Y CB -0.398 38.093 38.460 0.052 0.000 0.949 700 Y HN 0.520 nan 8.280 nan 0.000 0.497 701 D N -0.530 120.028 120.400 0.263 0.000 2.322 701 D HA -0.157 4.482 4.640 -0.001 0.000 0.210 701 D C 2.065 178.491 176.300 0.209 0.000 0.983 701 D CA 1.169 55.275 54.000 0.177 0.000 0.902 701 D CB -1.334 39.577 40.800 0.185 0.000 0.905 701 D HN 0.503 nan 8.370 nan 0.000 0.483 702 G N 0.979 109.939 108.800 0.267 0.000 2.631 702 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.219 702 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.219 702 G C 1.799 176.597 174.900 -0.170 0.000 1.214 702 G CA 2.078 47.357 45.100 0.298 0.000 0.785 702 G HN 0.573 nan 8.290 nan 0.000 0.596 703 A N -0.839 121.882 122.820 -0.164 0.000 1.969 703 A HA 0.069 4.388 4.320 -0.001 0.000 0.218 703 A C 2.331 179.854 177.584 -0.102 0.000 1.169 703 A CA 1.523 53.444 52.037 -0.193 0.000 0.635 703 A CB -1.120 17.793 19.000 -0.145 0.000 0.810 703 A HN 0.792 nan 8.150 nan 0.000 0.445 704 C N -1.766 117.507 119.300 -0.045 0.000 2.281 704 C HA -0.288 4.171 4.460 -0.001 0.000 0.206 704 C C 1.140 176.116 174.990 -0.024 0.000 1.113 704 C CA 2.243 61.248 59.018 -0.022 0.000 1.751 704 C CB -1.265 26.493 27.740 0.031 0.000 1.001 704 C HN 1.320 nan 8.230 nan 0.000 0.295 705 V N -0.347 119.567 119.914 0.001 0.000 2.666 705 V HA 0.457 4.576 4.120 -0.001 0.000 0.269 705 V C -0.717 175.387 176.094 0.017 0.000 0.926 705 V CA -0.274 62.029 62.300 0.005 0.000 1.035 705 V CB 0.439 32.270 31.823 0.013 0.000 1.099 705 V HN 0.691 nan 8.190 nan 0.000 0.519 706 N N 3.360 122.069 118.700 0.015 0.000 2.564 706 N HA 0.419 5.159 4.740 -0.001 0.000 0.248 706 N C 0.487 176.007 175.510 0.017 0.000 0.986 706 N CA -0.235 52.833 53.050 0.029 0.000 0.921 706 N CB 1.710 40.233 38.487 0.059 0.000 1.136 706 N HN 0.719 nan 8.380 nan 0.000 0.509 707 N N 0.936 119.645 118.700 0.016 0.000 2.236 707 N HA 0.078 4.818 4.740 -0.001 0.000 0.196 707 N C -0.107 175.410 175.510 0.011 0.000 1.114 707 N CA 0.002 53.056 53.050 0.008 0.000 0.859 707 N CB 0.636 39.123 38.487 0.001 0.000 0.982 707 N HN 0.271 nan 8.380 nan 0.000 0.493 708 D N 0.761 121.174 120.400 0.022 0.000 2.350 708 D HA 0.048 4.687 4.640 -0.001 0.000 0.213 708 D C -0.251 176.065 176.300 0.028 0.000 1.031 708 D CA 0.487 54.501 54.000 0.022 0.000 0.861 708 D CB 0.477 41.295 40.800 0.030 0.000 0.926 708 D HN 0.622 nan 8.370 nan 0.000 0.520 709 E N -1.190 119.030 120.200 0.034 0.000 2.363 709 E HA 0.249 4.599 4.350 -0.001 0.000 0.281 709 E C -0.173 176.451 176.600 0.041 0.000 0.953 709 E CA -0.814 55.610 56.400 0.040 0.000 0.778 709 E CB 0.992 30.724 29.700 0.053 0.000 1.220 709 E HN -0.092 nan 8.360 nan 0.000 0.431 710 T N -1.346 113.231 114.554 0.037 0.000 2.560 710 T HA -0.065 4.284 4.350 -0.001 0.000 0.354 710 T C 0.912 175.639 174.700 0.044 0.000 1.051 710 T CA 0.157 62.275 62.100 0.031 0.000 1.032 710 T CB 0.621 69.507 68.868 0.029 0.000 1.057 710 T HN 0.696 nan 8.240 nan 0.000 0.529 711 c N 0.933 119.547 118.600 0.024 0.000 2.533 711 c HA 0.168 4.737 4.570 -0.001 0.000 0.272 711 c C 2.405 176.560 174.090 0.108 0.000 1.371 711 c CA 0.580 56.918 56.329 0.015 0.000 1.758 711 c CB -1.456 41.007 42.510 -0.078 0.000 1.972 711 c HN 0.986 nan 8.230 nan 0.000 0.522 712 E N -0.386 119.869 120.200 0.092 0.000 2.474 712 E HA -0.009 4.341 4.350 -0.001 0.000 0.195 712 E C 1.531 178.192 176.600 0.102 0.000 1.039 712 E CA 0.097 56.564 56.400 0.113 0.000 0.881 712 E CB -0.198 29.548 29.700 0.076 0.000 0.970 712 E HN 0.638 nan 8.360 nan 0.000 0.486 713 Q N 1.146 121.003 119.800 0.095 0.000 2.062 713 Q HA 0.006 4.346 4.340 -0.001 0.000 0.196 713 Q C 1.988 178.046 176.000 0.098 0.000 0.967 713 Q CA 1.036 56.887 55.803 0.080 0.000 0.832 713 Q CB 0.007 28.785 28.738 0.066 0.000 0.899 713 Q HN 0.184 nan 8.270 nan 0.000 0.442 714 R N 0.468 121.064 120.500 0.160 0.000 2.152 714 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 714 R C 1.943 178.317 176.300 0.124 0.000 1.117 714 R CA 1.085 57.303 56.100 0.197 0.000 0.981 714 R CB -0.192 30.352 30.300 0.405 0.000 0.870 714 R HN 0.150 nan 8.270 nan 0.000 0.451 715 A N 0.547 123.494 122.820 0.211 0.000 2.206 715 A HA 0.182 4.502 4.320 -0.001 0.000 0.211 715 A C 2.043 179.644 177.584 0.028 0.000 1.158 715 A CA 0.958 53.069 52.037 0.124 0.000 0.761 715 A CB -0.188 18.973 19.000 0.268 0.000 0.801 715 A HN 0.350 nan 8.150 nan 0.000 0.473 716 A N 0.160 122.999 122.820 0.031 0.000 1.843 716 A HA -0.020 4.299 4.320 -0.001 0.000 0.213 716 A C 2.075 179.650 177.584 -0.014 0.000 1.202 716 A CA 1.188 53.233 52.037 0.015 0.000 0.607 716 A CB -0.470 18.546 19.000 0.026 0.000 0.847 716 A HN 0.422 nan 8.150 nan 0.000 0.445 717 R N -0.356 120.127 120.500 -0.028 0.000 2.371 717 R HA -0.005 4.334 4.340 -0.001 0.000 0.226 717 R C -0.245 176.012 176.300 -0.071 0.000 1.132 717 R CA 0.219 56.292 56.100 -0.046 0.000 1.027 717 R CB -0.513 29.754 30.300 -0.055 0.000 0.848 717 R HN 0.502 nan 8.270 nan 0.000 0.479 718 I N 0.748 121.256 120.570 -0.103 0.000 2.436 718 I HA -0.101 4.068 4.170 -0.001 0.000 0.289 718 I C 1.124 177.207 176.117 -0.057 0.000 1.083 718 I CA 0.086 61.308 61.300 -0.130 0.000 1.372 718 I CB 1.502 39.373 38.000 -0.217 0.000 1.408 718 I HN 0.166 nan 8.210 nan 0.000 0.516 719 S N 5.940 121.618 115.700 -0.036 0.000 2.460 719 S HA 0.062 4.532 4.470 -0.001 0.000 0.185 719 S C 1.817 176.422 174.600 0.008 0.000 0.908 719 S CA 0.192 58.393 58.200 0.001 0.000 0.894 719 S CB -0.236 62.978 63.200 0.024 0.000 0.855 719 S HN 0.646 nan 8.310 nan 0.000 0.574 720 L N 1.003 122.235 121.223 0.016 0.000 2.373 720 L HA -0.211 4.128 4.340 -0.001 0.000 0.228 720 L C 1.287 178.171 176.870 0.024 0.000 1.125 720 L CA 1.499 56.356 54.840 0.029 0.000 0.855 720 L CB -1.461 40.617 42.059 0.032 0.000 0.930 720 L HN 0.665 nan 8.230 nan 0.000 0.453 721 G N -4.319 104.490 108.800 0.014 0.000 2.378 721 G HA2 0.308 4.268 3.960 -0.001 0.000 0.302 721 G HA3 0.308 4.268 3.960 -0.001 0.000 0.302 721 G C -2.690 172.218 174.900 0.014 0.000 1.669 721 G CA -0.487 44.620 45.100 0.013 0.000 0.920 721 G HN -0.273 nan 8.290 nan 0.000 0.697 722 P HA -0.090 nan 4.420 nan 0.000 0.223 722 P C 1.879 179.195 177.300 0.028 0.000 1.144 722 P CA 0.738 63.852 63.100 0.023 0.000 0.783 722 P CB 0.130 31.842 31.700 0.020 0.000 0.771 723 R N -0.429 120.083 120.500 0.021 0.000 2.117 723 R HA -0.165 4.174 4.340 -0.001 0.000 0.243 723 R C 2.279 178.605 176.300 0.043 0.000 1.143 723 R CA 1.920 58.033 56.100 0.021 0.000 0.968 723 R CB -1.611 28.692 30.300 0.005 0.000 0.863 723 R HN 0.400 nan 8.270 nan 0.000 0.444 724 c N -1.295 117.337 118.600 0.054 0.000 2.674 724 c HA 0.351 4.920 4.570 -0.001 0.000 0.276 724 c C 2.358 176.514 174.090 0.110 0.000 1.300 724 c CA -0.720 55.660 56.329 0.084 0.000 1.732 724 c CB -0.565 41.998 42.510 0.088 0.000 2.076 724 c HN 0.326 nan 8.230 nan 0.000 0.548 725 I N 1.953 122.573 120.570 0.083 0.000 2.185 725 I HA -0.280 3.890 4.170 -0.001 0.000 0.246 725 I C 2.797 179.016 176.117 0.170 0.000 1.088 725 I CA 1.871 63.241 61.300 0.117 0.000 1.347 725 I CB -0.510 37.534 38.000 0.073 0.000 1.041 725 I HN 0.430 nan 8.210 nan 0.000 0.415 726 K N 0.752 121.221 120.400 0.115 0.000 2.026 726 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 726 K C 2.166 178.834 176.600 0.113 0.000 1.048 726 K CA 1.608 57.954 56.287 0.098 0.000 0.929 726 K CB -0.247 32.292 32.500 0.066 0.000 0.713 726 K HN 0.333 nan 8.250 nan 0.000 0.439 727 A N 0.412 123.309 122.820 0.128 0.000 2.178 727 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 727 A C 1.742 179.437 177.584 0.185 0.000 1.157 727 A CA 0.912 53.030 52.037 0.135 0.000 0.689 727 A CB -0.416 18.666 19.000 0.137 0.000 0.787 727 A HN 0.294 nan 8.150 nan 0.000 0.465 728 F N 1.278 121.254 119.950 0.043 0.000 2.092 728 F HA -0.059 4.467 4.527 -0.001 0.000 0.286 728 F C 2.635 178.453 175.800 0.030 0.000 1.116 728 F CA 2.193 60.217 58.000 0.039 0.000 1.185 728 F CB -0.760 38.263 39.000 0.038 0.000 1.034 728 F HN 0.230 nan 8.300 nan 0.000 0.479 729 T N -1.043 113.533 114.554 0.037 0.000 2.962 729 T HA -0.118 4.231 4.350 -0.001 0.000 0.270 729 T C 1.704 176.364 174.700 -0.066 0.000 1.088 729 T CA 1.170 63.229 62.100 -0.068 0.000 1.127 729 T CB -0.386 68.517 68.868 0.059 0.000 0.883 729 T HN 0.279 nan 8.240 nan 0.000 0.493 730 E N 0.737 120.924 120.200 -0.021 0.000 2.047 730 E HA -0.079 4.271 4.350 -0.001 0.000 0.191 730 E C 2.424 178.995 176.600 -0.048 0.000 0.987 730 E CA 1.381 57.771 56.400 -0.017 0.000 0.799 730 E CB -0.316 29.393 29.700 0.015 0.000 0.752 730 E HN 0.602 nan 8.360 nan 0.000 0.449 731 c N 0.012 118.571 118.600 -0.069 0.000 2.512 731 c HA 0.058 4.627 4.570 -0.001 0.000 0.276 731 c C 2.861 176.865 174.090 -0.143 0.000 1.368 731 c CA -0.541 55.742 56.329 -0.078 0.000 1.755 731 c CB -1.046 41.441 42.510 -0.037 0.000 2.008 731 c HN 0.553 nan 8.230 nan 0.000 0.511 732 c N 0.916 119.366 118.600 -0.250 0.000 2.476 732 c HA -0.032 4.537 4.570 -0.001 0.000 0.278 732 c C 2.825 176.819 174.090 -0.159 0.000 1.274 732 c CA 1.342 57.505 56.329 -0.277 0.000 1.713 732 c CB -1.188 41.033 42.510 -0.481 0.000 2.039 732 c HN 0.471 nan 8.230 nan 0.000 0.484 733 V N 0.983 120.821 119.914 -0.128 0.000 2.324 733 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 733 V C 2.524 178.583 176.094 -0.058 0.000 1.060 733 V CA 2.388 64.643 62.300 -0.075 0.000 1.042 733 V CB -0.823 30.968 31.823 -0.052 0.000 0.650 733 V HN 0.533 nan 8.190 nan 0.000 0.450 734 V N 0.293 120.173 119.914 -0.057 0.000 2.282 734 V HA -0.312 3.808 4.120 -0.001 0.000 0.249 734 V C 2.581 178.650 176.094 -0.042 0.000 1.057 734 V CA 2.366 64.641 62.300 -0.041 0.000 1.032 734 V CB -1.075 30.727 31.823 -0.035 0.000 0.645 734 V HN 0.597 nan 8.190 nan 0.000 0.447 735 A N -1.198 121.587 122.820 -0.059 0.000 2.123 735 A HA -0.045 4.275 4.320 -0.001 0.000 0.214 735 A C 2.361 179.917 177.584 -0.045 0.000 1.152 735 A CA 1.450 53.456 52.037 -0.052 0.000 0.728 735 A CB -0.263 18.696 19.000 -0.069 0.000 0.814 735 A HN 0.512 nan 8.150 nan 0.000 0.464 736 S N 0.066 115.735 115.700 -0.052 0.000 2.371 736 S HA -0.102 4.367 4.470 -0.001 0.000 0.221 736 S C 1.965 176.547 174.600 -0.030 0.000 1.036 736 S CA 0.898 59.073 58.200 -0.042 0.000 0.965 736 S CB -0.252 62.918 63.200 -0.049 0.000 0.845 736 S HN 0.642 nan 8.310 nan 0.000 0.475 737 Q N 0.993 120.776 119.800 -0.029 0.000 2.234 737 Q HA -0.073 4.266 4.340 -0.001 0.000 0.206 737 Q C 2.107 178.096 176.000 -0.018 0.000 0.980 737 Q CA 0.819 56.609 55.803 -0.021 0.000 0.869 737 Q CB -0.671 28.056 28.738 -0.019 0.000 0.912 737 Q HN 0.428 nan 8.270 nan 0.000 0.436 738 L N 1.698 122.909 121.223 -0.019 0.000 2.109 738 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 738 L C 2.437 179.299 176.870 -0.013 0.000 1.086 738 L CA 1.446 56.278 54.840 -0.014 0.000 0.760 738 L CB -0.215 41.835 42.059 -0.014 0.000 0.910 738 L HN 0.162 nan 8.230 nan 0.000 0.437 739 R N -0.508 119.982 120.500 -0.016 0.000 2.307 739 R HA 0.113 4.452 4.340 -0.001 0.000 0.199 739 R C 1.551 177.838 176.300 -0.022 0.000 1.000 739 R CA 0.859 56.948 56.100 -0.018 0.000 1.023 739 R CB -0.583 29.704 30.300 -0.021 0.000 0.908 739 R HN 0.310 nan 8.270 nan 0.000 0.473 740 A N 0.606 123.414 122.820 -0.019 0.000 2.238 740 A HA 0.095 4.415 4.320 -0.001 0.000 0.208 740 A C 0.872 178.447 177.584 -0.015 0.000 1.177 740 A CA 0.472 52.498 52.037 -0.018 0.000 0.804 740 A CB -0.200 18.790 19.000 -0.016 0.000 0.823 740 A HN 0.532 nan 8.150 nan 0.000 0.482 741 N N -1.361 117.331 118.700 -0.013 0.000 2.325 741 N HA 0.231 4.970 4.740 -0.001 0.000 0.220 741 N C 1.107 176.612 175.510 -0.009 0.000 1.176 741 N CA 0.022 53.066 53.050 -0.010 0.000 0.861 741 N CB 0.267 38.749 38.487 -0.008 0.000 1.230 741 N HN 0.323 nan 8.380 nan 0.000 0.479 742 I N 0.752 121.318 120.570 -0.008 0.000 2.756 742 I HA -0.077 4.092 4.170 -0.001 0.000 0.262 742 I C 0.463 176.575 176.117 -0.009 0.000 1.225 742 I CA 0.543 61.840 61.300 -0.005 0.000 1.472 742 I CB -0.361 37.639 38.000 0.001 0.000 1.094 742 I HN 0.138 nan 8.210 nan 0.000 0.454 751 R N 0.576 121.050 120.500 -0.043 0.000 2.198 751 R HA 0.636 4.976 4.340 -0.001 0.000 0.339 751 R C -1.321 174.731 176.300 -0.414 0.000 1.020 751 R CA -0.506 55.531 56.100 -0.105 0.000 0.864 751 R CB 1.600 31.983 30.300 0.137 0.000 1.105 751 R HN 0.186 nan 8.270 nan 0.000 0.463 752 L N 3.125 123.872 121.223 -0.793 0.000 2.464 752 L HA 0.418 4.757 4.340 -0.001 0.000 0.266 752 L C -1.688 174.696 176.870 -0.809 0.000 0.965 752 L CA -0.588 53.836 54.840 -0.693 0.000 0.833 752 L CB 1.775 43.678 42.059 -0.259 0.000 1.296 752 L HN 0.670 nan 8.230 nan 0.000 0.405 753 H N 3.589 122.686 119.070 0.045 0.000 2.809 753 H HA 0.458 5.014 4.556 -0.001 0.000 0.268 753 H C -0.645 174.720 175.328 0.062 0.000 1.403 753 H CA -0.829 55.244 56.048 0.041 0.000 1.564 753 H CB -0.067 29.718 29.762 0.038 0.000 1.834 753 H HN 0.532 nan 8.280 nan 0.000 0.613 754 M N 2.002 121.675 119.600 0.122 0.000 2.228 754 M HA 0.210 4.689 4.480 -0.001 0.000 0.303 754 M C -0.035 176.323 176.300 0.096 0.000 1.099 754 M CA 0.784 56.149 55.300 0.109 0.000 1.171 754 M CB 0.432 33.058 32.600 0.044 0.000 1.412 754 M HN 0.370 nan 8.290 nan 0.000 0.447 755 K N 0.009 120.476 120.400 0.112 0.000 2.685 755 K HA 0.463 4.782 4.320 -0.001 0.000 0.290 755 K C -1.558 175.090 176.600 0.080 0.000 1.018 755 K CA -0.673 55.625 56.287 0.020 0.000 0.860 755 K CB 2.014 34.375 32.500 -0.232 0.000 1.498 755 K HN 0.653 nan 8.250 nan 0.000 0.390 756 T N 1.364 115.904 114.554 -0.023 0.000 3.422 756 T HA 0.206 4.555 4.350 -0.001 0.000 0.327 756 T C -0.761 173.930 174.700 -0.015 0.000 0.840 756 T CA -0.561 61.521 62.100 -0.029 0.000 1.126 756 T CB 0.569 69.299 68.868 -0.229 0.000 1.008 756 T HN 0.392 nan 8.240 nan 0.000 0.485 757 L N 3.482 124.769 121.223 0.106 0.000 2.499 757 L HA 0.557 4.896 4.340 -0.001 0.000 0.281 757 L C -0.432 176.582 176.870 0.240 0.000 1.234 757 L CA 0.449 55.358 54.840 0.115 0.000 0.839 757 L CB 0.327 42.450 42.059 0.106 0.000 1.104 757 L HN 0.691 nan 8.230 nan 0.000 0.500 758 L N 5.183 126.527 121.223 0.201 0.000 3.630 758 L HA 0.180 4.519 4.340 -0.001 0.000 0.241 758 L C -2.114 174.809 176.870 0.088 0.000 0.991 758 L CA -0.819 54.123 54.840 0.169 0.000 1.324 758 L CB 1.428 43.636 42.059 0.248 0.000 1.874 758 L HN 0.510 nan 8.230 nan 0.000 0.683 759 P HA -0.001 nan 4.420 nan 0.000 0.249 759 P C 1.023 178.327 177.300 0.007 0.000 1.227 759 P CA 0.640 63.754 63.100 0.022 0.000 0.753 759 P CB -0.030 31.682 31.700 0.020 0.000 0.966 760 V N -3.103 116.810 119.914 -0.001 0.000 2.666 760 V HA -0.344 3.775 4.120 -0.001 0.000 0.147 760 V C 1.058 177.129 176.094 -0.039 0.000 0.450 760 V CA 1.196 63.482 62.300 -0.024 0.000 1.232 760 V CB -3.002 28.822 31.823 0.001 0.000 1.437 760 V HN 0.495 nan 8.190 nan 0.000 1.056 761 S N -1.669 114.007 115.700 -0.040 0.000 3.315 761 S HA -0.216 4.254 4.470 -0.001 0.000 0.283 761 S C 0.268 174.857 174.600 -0.019 0.000 1.279 761 S CA 1.570 59.742 58.200 -0.046 0.000 0.984 761 S CB -0.976 62.182 63.200 -0.070 0.000 1.184 761 S HN 0.911 nan 8.310 nan 0.000 0.653 762 K N 1.560 121.953 120.400 -0.011 0.000 2.339 762 K HA 0.299 4.619 4.320 -0.001 0.000 0.286 762 K C -2.623 173.960 176.600 -0.028 0.000 1.050 762 K CA -1.662 54.618 56.287 -0.012 0.000 0.956 762 K CB 0.530 33.013 32.500 -0.029 0.000 0.990 762 K HN 0.140 nan 8.250 nan 0.000 0.475 763 P HA -0.060 nan 4.420 nan 0.000 0.263 763 P C -0.973 176.268 177.300 -0.098 0.000 1.345 763 P CA 0.252 63.343 63.100 -0.015 0.000 1.119 763 P CB 0.097 31.832 31.700 0.058 0.000 1.363 764 E N 3.288 123.446 120.200 -0.071 0.000 2.263 764 E HA 0.740 5.089 4.350 -0.001 0.000 0.264 764 E C -0.974 175.603 176.600 -0.038 0.000 0.923 764 E CA -1.244 55.100 56.400 -0.093 0.000 0.802 764 E CB 2.318 31.950 29.700 -0.113 0.000 1.228 764 E HN 0.207 nan 8.360 nan 0.000 0.417 765 I N 0.755 121.298 120.570 -0.046 0.000 2.667 765 I HA 0.196 4.366 4.170 -0.001 0.000 0.288 765 I C -0.878 175.206 176.117 -0.055 0.000 1.267 765 I CA -0.668 60.639 61.300 0.011 0.000 1.055 765 I CB 1.620 39.695 38.000 0.126 0.000 1.294 765 I HN 0.438 nan 8.210 nan 0.000 0.429 766 R N 4.822 125.275 120.500 -0.079 0.000 3.192 766 R HA 0.328 4.667 4.340 -0.001 0.000 0.264 766 R C -0.852 175.417 176.300 -0.051 0.000 1.464 766 R CA -0.125 55.876 56.100 -0.164 0.000 1.309 766 R CB -0.882 29.328 30.300 -0.150 0.000 1.283 766 R HN 0.619 nan 8.270 nan 0.000 0.584 767 S N -1.004 114.735 115.700 0.064 0.000 2.543 767 S HA 0.291 4.761 4.470 -0.001 0.000 0.273 767 S C -1.194 173.430 174.600 0.040 0.000 1.152 767 S CA -1.029 57.193 58.200 0.036 0.000 0.910 767 S CB 1.363 64.408 63.200 -0.257 0.000 1.105 767 S HN 0.283 nan 8.310 nan 0.000 0.465 768 Y N 1.841 122.055 120.300 -0.143 0.000 2.307 768 Y HA 0.687 5.237 4.550 -0.001 0.000 0.324 768 Y C -1.355 174.297 175.900 -0.415 0.000 1.238 768 Y CA -0.849 57.094 58.100 -0.262 0.000 1.280 768 Y CB 0.730 38.983 38.460 -0.345 0.000 1.248 768 Y HN 0.649 nan 8.280 nan 0.000 0.508 769 F N 6.294 125.810 119.950 -0.723 0.000 2.676 769 F HA 0.411 4.937 4.527 -0.001 0.000 0.371 769 F C -2.260 173.170 175.800 -0.616 0.000 1.141 769 F CA -2.480 55.242 58.000 -0.462 0.000 1.133 769 F CB 0.856 39.655 39.000 -0.336 0.000 1.376 769 F HN 0.421 nan 8.300 nan 0.000 0.491 770 P HA -0.138 nan 4.420 nan 0.000 0.268 770 P C 0.041 177.455 177.300 0.190 0.000 1.189 770 P CA 0.218 63.477 63.100 0.265 0.000 0.771 770 P CB 0.638 32.654 31.700 0.527 0.000 0.822 771 E N 1.724 122.051 120.200 0.212 0.000 2.414 771 E HA 0.067 4.416 4.350 -0.001 0.000 0.263 771 E C -0.139 176.581 176.600 0.200 0.000 1.000 771 E CA -0.124 56.358 56.400 0.136 0.000 0.914 771 E CB 0.401 30.172 29.700 0.118 0.000 0.948 771 E HN 0.368 nan 8.360 nan 0.000 0.444 772 S N 3.995 119.757 115.700 0.104 0.000 2.549 772 S HA 0.392 4.861 4.470 -0.001 0.000 0.260 772 S C -0.274 174.422 174.600 0.160 0.000 1.217 772 S CA -0.118 58.130 58.200 0.079 0.000 1.001 772 S CB 0.222 63.408 63.200 -0.023 0.000 1.059 772 S HN 0.751 nan 8.310 nan 0.000 0.537 773 W N -2.830 118.389 121.300 -0.136 0.000 2.791 773 W HA 0.426 5.086 4.660 -0.001 0.000 0.419 773 W C -1.433 175.064 176.519 -0.037 0.000 1.082 773 W CA -0.942 56.335 57.345 -0.113 0.000 1.154 773 W CB -0.169 29.146 29.460 -0.241 0.000 1.472 773 W HN 0.538 nan 8.180 nan 0.000 0.584 774 L N 1.231 122.609 121.223 0.257 0.000 3.634 774 L HA -0.247 4.093 4.340 -0.001 0.000 0.423 774 L C 0.884 177.801 176.870 0.078 0.000 1.253 774 L CA 0.879 55.744 54.840 0.041 0.000 0.885 774 L CB -0.657 41.262 42.059 -0.233 0.000 1.789 774 L HN 0.700 nan 8.230 nan 0.000 0.904 775 W N 1.955 123.234 121.300 -0.035 0.000 3.290 775 W HA 0.080 4.739 4.660 -0.001 0.000 0.287 775 W C 1.109 177.628 176.519 -0.000 0.000 1.288 775 W CA 0.426 57.758 57.345 -0.022 0.000 1.725 775 W CB 0.267 29.709 29.460 -0.029 0.000 1.103 775 W HN 0.511 nan 8.180 nan 0.000 0.670 776 E N 1.432 121.676 120.200 0.073 0.000 2.415 776 E HA 0.166 4.515 4.350 -0.001 0.000 0.262 776 E C -0.276 176.280 176.600 -0.073 0.000 1.038 776 E CA -0.145 56.250 56.400 -0.009 0.000 0.921 776 E CB 1.315 31.019 29.700 0.007 0.000 0.950 776 E HN -0.215 nan 8.360 nan 0.000 0.438 777 V N 2.176 122.012 119.914 -0.129 0.000 2.997 777 V HA 0.276 4.395 4.120 -0.001 0.000 0.311 777 V C 0.073 176.105 176.094 -0.104 0.000 1.066 777 V CA -0.460 61.799 62.300 -0.068 0.000 1.039 777 V CB 1.277 33.045 31.823 -0.092 0.000 1.081 777 V HN 0.676 nan 8.190 nan 0.000 0.467 778 H N 1.339 120.544 119.070 0.223 0.000 3.016 778 H HA 0.455 5.011 4.556 -0.001 0.000 0.362 778 H C -1.420 174.135 175.328 0.379 0.000 1.233 778 H CA -0.752 55.459 56.048 0.272 0.000 1.124 778 H CB 2.330 32.158 29.762 0.110 0.000 1.850 778 H HN 0.427 nan 8.280 nan 0.000 0.549 779 L N 2.499 123.865 121.223 0.237 0.000 2.265 779 L HA 0.354 4.693 4.340 -0.001 0.000 0.289 779 L C -1.085 175.674 176.870 -0.185 0.000 1.033 779 L CA -0.435 54.155 54.840 -0.417 0.000 0.814 779 L CB 0.646 42.369 42.059 -0.561 0.000 1.203 779 L HN 0.296 nan 8.230 nan 0.000 0.423 780 V N 7.447 127.227 119.914 -0.224 0.000 2.380 780 V HA 0.390 4.510 4.120 -0.001 0.000 0.286 780 V C -2.199 173.807 176.094 -0.147 0.000 1.015 780 V CA -1.057 61.166 62.300 -0.128 0.000 0.834 780 V CB 1.643 33.425 31.823 -0.067 0.000 1.009 780 V HN 0.678 nan 8.190 nan 0.000 0.428 781 P HA 0.359 nan 4.420 nan 0.000 0.225 781 P C 0.599 177.862 177.300 -0.062 0.000 1.813 781 P CA -0.112 62.929 63.100 -0.099 0.000 1.013 781 P CB 0.008 31.657 31.700 -0.085 0.000 1.961 782 R N -1.363 119.103 120.500 -0.057 0.000 3.621 782 R HA -0.180 4.159 4.340 -0.001 0.000 0.410 782 R C 0.252 176.535 176.300 -0.027 0.000 0.541 782 R CA 1.030 57.108 56.100 -0.036 0.000 1.518 782 R CB -1.189 29.096 30.300 -0.026 0.000 2.022 782 R HN 0.350 nan 8.270 nan 0.000 0.356 783 R N 0.185 120.666 120.500 -0.031 0.000 2.604 783 R HA 0.516 4.855 4.340 -0.001 0.000 0.270 783 R C -1.467 174.816 176.300 -0.029 0.000 1.052 783 R CA -0.872 55.215 56.100 -0.021 0.000 0.902 783 R CB 2.512 32.807 30.300 -0.008 0.000 1.233 783 R HN 0.030 nan 8.270 nan 0.000 0.455 784 K N 2.029 122.411 120.400 -0.029 0.000 2.592 784 K HA 0.106 4.426 4.320 -0.001 0.000 0.265 784 K C -1.851 174.726 176.600 -0.038 0.000 1.006 784 K CA -0.413 55.849 56.287 -0.042 0.000 0.907 784 K CB 2.090 34.547 32.500 -0.073 0.000 1.309 784 K HN 0.604 nan 8.250 nan 0.000 0.452 785 Q N 5.088 124.879 119.800 -0.015 0.000 2.245 785 Q HA 0.618 4.958 4.340 -0.001 0.000 0.256 785 Q C -1.263 174.746 176.000 0.016 0.000 0.942 785 Q CA -0.910 54.900 55.803 0.012 0.000 0.896 785 Q CB 1.118 29.873 28.738 0.027 0.000 1.272 785 Q HN 0.618 nan 8.270 nan 0.000 0.442 786 L N 1.686 122.947 121.223 0.064 0.000 2.518 786 L HA 0.435 4.775 4.340 -0.001 0.000 0.262 786 L C -0.607 176.435 176.870 0.285 0.000 0.982 786 L CA -1.076 53.836 54.840 0.119 0.000 0.873 786 L CB 1.334 43.413 42.059 0.034 0.000 1.198 786 L HN 0.621 nan 8.230 nan 0.000 0.427 787 Q N 2.978 122.895 119.800 0.196 0.000 2.417 787 Q HA 0.721 5.061 4.340 -0.001 0.000 0.241 787 Q C -0.922 175.278 176.000 0.333 0.000 1.008 787 Q CA -0.374 55.514 55.803 0.142 0.000 0.901 787 Q CB 1.279 30.044 28.738 0.044 0.000 1.259 787 Q HN 0.702 nan 8.270 nan 0.000 0.489 788 F N -3.833 116.136 119.950 0.032 0.000 2.804 788 F HA 0.630 5.157 4.527 -0.001 0.000 0.320 788 F C -1.920 173.875 175.800 -0.008 0.000 1.135 788 F CA -1.158 56.850 58.000 0.013 0.000 0.947 788 F CB 0.283 39.299 39.000 0.027 0.000 1.260 788 F HN 0.753 nan 8.300 nan 0.000 0.447 789 A N 2.228 125.078 122.820 0.050 0.000 2.293 789 A HA 0.838 5.157 4.320 -0.001 0.000 0.302 789 A C -0.896 176.664 177.584 -0.040 0.000 1.119 789 A CA -0.776 51.230 52.037 -0.051 0.000 0.823 789 A CB 0.746 19.736 19.000 -0.018 0.000 1.097 789 A HN 0.754 nan 8.150 nan 0.000 0.491 790 L N 1.507 122.678 121.223 -0.086 0.000 2.357 790 L HA 0.466 4.806 4.340 -0.001 0.000 0.273 790 L C -2.230 174.578 176.870 -0.103 0.000 1.080 790 L CA -1.731 53.028 54.840 -0.135 0.000 0.803 790 L CB 0.368 42.456 42.059 0.049 0.000 1.174 790 L HN 0.383 nan 8.230 nan 0.000 0.443 791 P HA 0.018 nan 4.420 nan 0.000 0.271 791 P C -0.800 176.537 177.300 0.062 0.000 1.216 791 P CA -0.375 62.660 63.100 -0.109 0.000 0.776 791 P CB 0.406 32.009 31.700 -0.163 0.000 0.881 792 D N 1.435 121.854 120.400 0.032 0.000 2.434 792 D HA 0.251 4.891 4.640 -0.001 0.000 0.252 792 D C -0.372 175.976 176.300 0.079 0.000 1.185 792 D CA 1.229 55.254 54.000 0.042 0.000 0.886 792 D CB -0.112 40.694 40.800 0.010 0.000 1.148 792 D HN 0.248 nan 8.370 nan 0.000 0.483 793 S N 2.959 118.708 115.700 0.082 0.000 2.756 793 S HA 0.156 4.626 4.470 -0.001 0.000 0.295 793 S C -1.796 172.820 174.600 0.027 0.000 0.945 793 S CA -0.824 57.424 58.200 0.081 0.000 0.838 793 S CB -0.098 63.217 63.200 0.192 0.000 1.042 793 S HN 0.236 nan 8.310 nan 0.000 0.467 794 L N 4.634 125.859 121.223 0.003 0.000 2.312 794 L HA 0.611 4.950 4.340 -0.001 0.000 0.287 794 L C 0.573 177.394 176.870 -0.083 0.000 1.091 794 L CA 0.864 55.717 54.840 0.022 0.000 0.846 794 L CB 0.256 42.375 42.059 0.101 0.000 1.219 794 L HN 0.878 nan 8.230 nan 0.000 0.439 795 T N -1.552 112.878 114.554 -0.207 0.000 2.718 795 T HA 0.464 4.813 4.350 -0.001 0.000 0.306 795 T C -0.428 174.036 174.700 -0.393 0.000 1.485 795 T CA -0.875 60.981 62.100 -0.405 0.000 0.997 795 T CB 1.379 69.729 68.868 -0.864 0.000 1.504 795 T HN 0.084 nan 8.240 nan 0.000 0.497 796 T N 1.582 115.934 114.554 -0.337 0.000 2.842 796 T HA 0.386 4.735 4.350 -0.001 0.000 0.308 796 T C -0.875 173.784 174.700 -0.069 0.000 1.041 796 T CA -0.429 61.581 62.100 -0.150 0.000 0.964 796 T CB -0.027 68.822 68.868 -0.031 0.000 0.972 796 T HN 0.500 nan 8.240 nan 0.000 0.460 797 W N 2.458 123.872 121.300 0.190 0.000 2.356 797 W HA 0.280 4.939 4.660 -0.001 0.000 0.311 797 W C 0.922 177.496 176.519 0.093 0.000 1.328 797 W CA -0.708 56.738 57.345 0.168 0.000 1.251 797 W CB 0.518 30.135 29.460 0.262 0.000 1.280 797 W HN 0.579 nan 8.180 nan 0.000 0.524 798 E N 5.803 126.211 120.200 0.345 0.000 2.103 798 E HA 0.148 4.497 4.350 -0.001 0.000 0.254 798 E C -0.426 176.231 176.600 0.095 0.000 0.940 798 E CA -0.548 55.968 56.400 0.194 0.000 0.771 798 E CB 0.282 30.096 29.700 0.189 0.000 1.153 798 E HN 0.579 nan 8.360 nan 0.000 0.428 799 I N 4.242 124.827 120.570 0.026 0.000 2.260 799 I HA 0.124 4.294 4.170 -0.001 0.000 0.297 799 I C -0.155 175.929 176.117 -0.055 0.000 1.143 799 I CA -0.547 60.699 61.300 -0.089 0.000 1.271 799 I CB 0.243 38.142 38.000 -0.170 0.000 1.461 799 I HN 0.430 nan 8.210 nan 0.000 0.530 800 Q N 5.984 125.751 119.800 -0.054 0.000 2.235 800 Q HA 0.628 4.967 4.340 -0.001 0.000 0.250 800 Q C -0.843 175.092 176.000 -0.109 0.000 0.909 800 Q CA -0.677 55.076 55.803 -0.082 0.000 0.910 800 Q CB 2.133 30.810 28.738 -0.102 0.000 1.223 800 Q HN 0.793 nan 8.270 nan 0.000 0.432 801 G N 3.089 111.814 108.800 -0.125 0.000 2.737 801 G HA2 0.440 4.399 3.960 -0.001 0.000 0.290 801 G HA3 0.440 4.399 3.960 -0.001 0.000 0.290 801 G C -1.476 173.327 174.900 -0.162 0.000 1.482 801 G CA -0.580 44.442 45.100 -0.129 0.000 1.017 801 G HN 0.685 nan 8.290 nan 0.000 0.529 802 I N 2.265 122.706 120.570 -0.215 0.000 2.428 802 I HA 0.875 5.044 4.170 -0.001 0.000 0.296 802 I C 0.282 176.265 176.117 -0.223 0.000 0.985 802 I CA -0.651 60.477 61.300 -0.287 0.000 1.260 802 I CB 1.765 39.460 38.000 -0.508 0.000 1.389 802 I HN 0.517 nan 8.210 nan 0.000 0.484 803 G N 7.740 116.434 108.800 -0.176 0.000 2.620 803 G HA2 0.741 4.700 3.960 -0.001 0.000 0.301 803 G HA3 0.741 4.700 3.960 -0.001 0.000 0.301 803 G C -1.268 173.601 174.900 -0.052 0.000 1.347 803 G CA -0.766 44.292 45.100 -0.069 0.000 0.971 803 G HN 0.926 nan 8.290 nan 0.000 0.488 804 I N -1.566 119.036 120.570 0.054 0.000 2.752 804 I HA 0.849 5.018 4.170 -0.001 0.000 0.295 804 I C -0.596 175.636 176.117 0.191 0.000 1.219 804 I CA -0.869 60.478 61.300 0.080 0.000 1.030 804 I CB 1.943 39.976 38.000 0.054 0.000 1.259 804 I HN 0.480 nan 8.210 nan 0.000 0.423 805 S N 2.420 118.209 115.700 0.148 0.000 3.003 805 S HA 0.305 4.774 4.470 -0.001 0.000 0.313 805 S C 0.276 174.950 174.600 0.123 0.000 1.230 805 S CA -0.604 57.697 58.200 0.168 0.000 0.977 805 S CB 1.260 64.520 63.200 0.100 0.000 1.340 805 S HN 0.834 nan 8.310 nan 0.000 0.608 806 N N 1.270 120.031 118.700 0.101 0.000 2.550 806 N HA -0.043 4.697 4.740 -0.001 0.000 0.186 806 N C 1.441 176.995 175.510 0.073 0.000 1.110 806 N CA 1.301 54.403 53.050 0.086 0.000 0.912 806 N CB -0.025 38.505 38.487 0.073 0.000 0.968 806 N HN 0.616 nan 8.380 nan 0.000 0.448 807 T N -3.643 110.950 114.554 0.067 0.000 2.978 807 T HA 0.412 4.761 4.350 -0.001 0.000 0.262 807 T C 1.182 175.923 174.700 0.069 0.000 1.063 807 T CA 0.539 62.677 62.100 0.063 0.000 1.140 807 T CB 0.282 69.182 68.868 0.052 0.000 0.886 807 T HN 0.275 nan 8.240 nan 0.000 0.470 808 G N 1.000 109.841 108.800 0.069 0.000 2.295 808 G HA2 0.215 4.174 3.960 -0.001 0.000 0.155 808 G HA3 0.215 4.174 3.960 -0.001 0.000 0.155 808 G C -1.788 173.137 174.900 0.042 0.000 1.307 808 G CA -0.380 44.760 45.100 0.067 0.000 1.140 808 G HN 0.596 nan 8.290 nan 0.000 0.470 809 I N 0.458 121.025 120.570 -0.005 0.000 2.436 809 I HA 0.675 4.844 4.170 -0.001 0.000 0.289 809 I C -1.049 174.973 176.117 -0.157 0.000 1.010 809 I CA -0.896 60.367 61.300 -0.062 0.000 1.098 809 I CB 1.352 39.352 38.000 0.000 0.000 1.266 809 I HN 0.817 nan 8.210 nan 0.000 0.434 810 c N 7.952 126.462 118.600 -0.151 0.000 2.516 810 c HA 0.543 5.112 4.570 -0.001 0.000 0.338 810 c C -0.597 173.399 174.090 -0.157 0.000 1.132 810 c CA -0.330 55.914 56.329 -0.142 0.000 1.310 810 c CB 0.923 43.397 42.510 -0.060 0.000 1.898 810 c HN 0.571 nan 8.230 nan 0.000 0.452 811 V N 6.516 126.331 119.914 -0.167 0.000 2.432 811 V HA 0.515 4.634 4.120 -0.001 0.000 0.271 811 V C 1.106 177.133 176.094 -0.112 0.000 1.046 811 V CA 0.133 62.333 62.300 -0.168 0.000 0.945 811 V CB 0.842 32.558 31.823 -0.179 0.000 0.992 811 V HN 1.094 nan 8.190 nan 0.000 0.471 812 A N 4.457 127.208 122.820 -0.115 0.000 2.366 812 A HA 0.276 4.595 4.320 -0.001 0.000 0.249 812 A C 0.257 177.790 177.584 -0.085 0.000 1.084 812 A CA -0.529 51.452 52.037 -0.093 0.000 0.794 812 A CB 0.085 19.023 19.000 -0.103 0.000 1.034 812 A HN 0.818 nan 8.150 nan 0.000 0.491 813 D N 1.338 121.698 120.400 -0.067 0.000 2.425 813 D HA 0.188 4.827 4.640 -0.001 0.000 0.247 813 D C 1.040 177.308 176.300 -0.053 0.000 1.147 813 D CA 0.630 54.600 54.000 -0.051 0.000 0.879 813 D CB 0.785 41.569 40.800 -0.027 0.000 1.179 813 D HN 0.654 nan 8.370 nan 0.000 0.456 814 T N 0.414 114.937 114.554 -0.051 0.000 2.560 814 T HA 0.055 4.404 4.350 -0.001 0.000 0.354 814 T C 0.048 174.748 174.700 0.001 0.000 1.051 814 T CA -0.094 61.983 62.100 -0.037 0.000 1.032 814 T CB 0.405 69.250 68.868 -0.040 0.000 1.057 814 T HN 0.113 nan 8.240 nan 0.000 0.529 815 V N 2.835 122.766 119.914 0.028 0.000 2.722 815 V HA 0.278 4.397 4.120 -0.001 0.000 0.260 815 V C -0.170 175.989 176.094 0.109 0.000 0.941 815 V CA -1.027 61.319 62.300 0.076 0.000 0.888 815 V CB 1.154 33.031 31.823 0.089 0.000 1.059 815 V HN 0.892 nan 8.190 nan 0.000 0.486 816 K N 2.047 122.516 120.400 0.115 0.000 2.339 816 K HA 0.577 4.896 4.320 -0.001 0.000 0.260 816 K C 0.499 177.228 176.600 0.215 0.000 0.989 816 K CA 0.912 57.290 56.287 0.153 0.000 0.888 816 K CB 0.349 32.924 32.500 0.125 0.000 0.983 816 K HN 0.992 nan 8.250 nan 0.000 0.515 817 A N 1.213 124.190 122.820 0.262 0.000 2.188 817 A HA 0.090 4.409 4.320 -0.001 0.000 0.243 817 A C -1.018 176.792 177.584 0.378 0.000 1.509 817 A CA -0.879 51.378 52.037 0.367 0.000 1.574 817 A CB -0.552 18.586 19.000 0.230 0.000 1.049 817 A HN 0.619 nan 8.150 nan 0.000 0.850 818 K N 0.542 121.114 120.400 0.286 0.000 2.484 818 K HA 0.403 4.722 4.320 -0.001 0.000 0.280 818 K C 0.223 177.005 176.600 0.304 0.000 1.013 818 K CA 0.223 56.622 56.287 0.187 0.000 1.029 818 K CB 0.768 33.326 32.500 0.096 0.000 0.902 818 K HN 1.016 nan 8.250 nan 0.000 0.481 819 V N 0.827 120.879 119.914 0.230 0.000 2.732 819 V HA 0.862 4.981 4.120 -0.001 0.000 0.310 819 V C -0.713 175.555 176.094 0.290 0.000 1.053 819 V CA -0.901 61.575 62.300 0.292 0.000 0.957 819 V CB 0.747 32.734 31.823 0.274 0.000 1.018 819 V HN 0.968 nan 8.190 nan 0.000 0.452 820 F N 1.686 121.684 119.950 0.080 0.000 2.728 820 F HA 0.546 5.073 4.527 -0.001 0.000 0.315 820 F C -1.250 174.595 175.800 0.074 0.000 1.096 820 F CA -0.828 57.195 58.000 0.039 0.000 0.997 820 F CB 1.284 40.318 39.000 0.057 0.000 1.252 820 F HN 0.786 nan 8.300 nan 0.000 0.458 821 K N 4.103 123.779 120.400 -1.206 0.000 2.183 821 K HA 0.376 4.695 4.320 -0.001 0.000 0.274 821 K C 0.312 176.238 176.600 -1.123 0.000 1.009 821 K CA -0.212 55.565 56.287 -0.850 0.000 0.888 821 K CB 1.256 33.484 32.500 -0.452 0.000 1.078 821 K HN 0.650 nan 8.250 nan 0.000 0.459 822 D N 1.506 121.696 120.400 -0.349 0.000 2.205 822 D HA -0.171 4.469 4.640 -0.001 0.000 0.190 822 D C 0.036 176.533 176.300 0.328 0.000 1.002 822 D CA 1.465 55.560 54.000 0.158 0.000 0.848 822 D CB 0.063 41.049 40.800 0.311 0.000 0.975 822 D HN 0.215 nan 8.370 nan 0.000 0.449 823 V N -0.343 119.718 119.914 0.244 0.000 2.735 823 V HA 0.570 4.689 4.120 -0.001 0.000 0.310 823 V C -0.891 175.348 176.094 0.241 0.000 1.061 823 V CA -0.885 61.519 62.300 0.173 0.000 0.913 823 V CB 1.955 33.819 31.823 0.069 0.000 1.005 823 V HN 0.211 nan 8.190 nan 0.000 0.428 824 F N 3.182 123.127 119.950 -0.008 0.000 2.672 824 F HA 0.746 5.273 4.527 -0.001 0.000 0.311 824 F C -1.403 174.346 175.800 -0.085 0.000 1.113 824 F CA -1.193 56.790 58.000 -0.029 0.000 0.996 824 F CB 1.277 40.278 39.000 0.001 0.000 1.286 824 F HN 0.439 nan 8.300 nan 0.000 0.441 825 L N 3.034 124.248 121.223 -0.015 0.000 2.334 825 L HA 0.693 5.033 4.340 -0.001 0.000 0.277 825 L C -0.337 176.482 176.870 -0.084 0.000 1.075 825 L CA 0.109 54.843 54.840 -0.177 0.000 0.804 825 L CB 1.412 43.363 42.059 -0.180 0.000 1.174 825 L HN 0.904 nan 8.230 nan 0.000 0.438 826 E N 4.587 124.656 120.200 -0.219 0.000 2.299 826 E HA 0.646 4.995 4.350 -0.001 0.000 0.265 826 E C -1.607 174.857 176.600 -0.227 0.000 0.911 826 E CA -0.960 55.362 56.400 -0.131 0.000 0.789 826 E CB 1.774 31.450 29.700 -0.041 0.000 1.246 826 E HN 0.484 nan 8.360 nan 0.000 0.427 827 M N 2.655 122.139 119.600 -0.193 0.000 2.204 827 M HA 0.289 4.768 4.480 -0.001 0.000 0.293 827 M C -1.166 175.059 176.300 -0.124 0.000 0.994 827 M CA -0.722 54.420 55.300 -0.264 0.000 0.925 827 M CB 1.137 33.450 32.600 -0.479 0.000 1.577 827 M HN 0.662 nan 8.290 nan 0.000 0.439 828 N N 3.774 122.424 118.700 -0.082 0.000 2.555 828 N HA 0.279 5.018 4.740 -0.001 0.000 0.244 828 N C -0.760 174.786 175.510 0.060 0.000 1.114 828 N CA -0.147 52.896 53.050 -0.011 0.000 0.963 828 N CB 0.346 38.825 38.487 -0.013 0.000 1.276 828 N HN 0.434 nan 8.380 nan 0.000 0.510 829 I N 2.946 123.559 120.570 0.072 0.000 2.581 829 I HA 0.333 4.502 4.170 -0.001 0.000 0.288 829 I C -1.497 174.720 176.117 0.167 0.000 1.047 829 I CA -2.150 59.234 61.300 0.140 0.000 1.374 829 I CB 0.089 38.162 38.000 0.122 0.000 1.423 829 I HN 0.355 nan 8.210 nan 0.000 0.549 830 P HA 0.149 nan 4.420 nan 0.000 0.275 830 P C 0.643 178.077 177.300 0.224 0.000 1.266 830 P CA -0.182 63.058 63.100 0.234 0.000 0.793 830 P CB 0.870 32.787 31.700 0.362 0.000 1.074 831 Y N 0.236 120.584 120.300 0.081 0.000 2.092 831 Y HA -0.111 4.438 4.550 -0.001 0.000 0.282 831 Y C 1.000 176.950 175.900 0.083 0.000 1.126 831 Y CA 1.426 59.570 58.100 0.072 0.000 1.111 831 Y CB 0.143 38.638 38.460 0.058 0.000 0.987 831 Y HN 0.465 nan 8.280 nan 0.000 0.489 832 S N -0.609 115.061 115.700 -0.049 0.000 2.667 832 S HA 0.733 5.202 4.470 -0.001 0.000 0.292 832 S C -1.424 173.174 174.600 -0.003 0.000 1.126 832 S CA -0.617 57.485 58.200 -0.163 0.000 0.881 832 S CB 2.318 65.375 63.200 -0.238 0.000 1.132 832 S HN 0.006 nan 8.310 nan 0.000 0.492 833 V N 1.048 120.946 119.914 -0.027 0.000 2.817 833 V HA 0.397 4.516 4.120 -0.001 0.000 0.303 833 V C -0.498 175.584 176.094 -0.020 0.000 1.151 833 V CA -0.869 61.434 62.300 0.006 0.000 0.929 833 V CB 1.800 33.626 31.823 0.005 0.000 1.030 833 V HN 0.919 nan 8.190 nan 0.000 0.427 834 V N 3.637 123.548 119.914 -0.004 0.000 2.715 834 V HA 0.247 4.367 4.120 -0.001 0.000 0.299 834 V C 0.910 176.983 176.094 -0.035 0.000 1.054 834 V CA -0.234 62.053 62.300 -0.020 0.000 1.077 834 V CB 0.950 32.768 31.823 -0.009 0.000 0.972 834 V HN 0.969 nan 8.190 nan 0.000 0.484 835 R N 3.225 123.690 120.500 -0.058 0.000 2.583 835 R HA 0.270 4.609 4.340 -0.001 0.000 0.274 835 R C 1.123 177.382 176.300 -0.068 0.000 0.998 835 R CA 1.056 57.116 56.100 -0.067 0.000 1.081 835 R CB -0.227 30.025 30.300 -0.080 0.000 0.940 835 R HN 1.181 nan 8.270 nan 0.000 0.413 836 G N 2.168 110.926 108.800 -0.071 0.000 2.179 836 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.260 836 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.260 836 G C -0.209 174.661 174.900 -0.050 0.000 0.977 836 G CA 0.415 45.444 45.100 -0.119 0.000 0.641 836 G HN 0.678 nan 8.290 nan 0.000 0.533 837 E N 0.231 120.460 120.200 0.047 0.000 2.313 837 E HA 0.404 4.753 4.350 -0.001 0.000 0.272 837 E C 0.269 176.971 176.600 0.170 0.000 1.038 837 E CA -0.434 56.070 56.400 0.173 0.000 0.863 837 E CB 0.827 30.578 29.700 0.085 0.000 1.060 837 E HN 0.362 nan 8.360 nan 0.000 0.402 838 Q N 2.852 122.778 119.800 0.209 0.000 2.322 838 Q HA 0.250 4.589 4.340 -0.001 0.000 0.256 838 Q C -0.973 174.987 176.000 -0.067 0.000 0.960 838 Q CA -0.461 55.382 55.803 0.067 0.000 0.934 838 Q CB 0.639 29.376 28.738 -0.002 0.000 1.200 838 Q HN 0.396 nan 8.270 nan 0.000 0.435 839 I N 2.307 122.814 120.570 -0.106 0.000 2.783 839 I HA 0.175 4.345 4.170 -0.001 0.000 0.312 839 I C -0.771 175.151 176.117 -0.324 0.000 0.988 839 I CA -0.163 60.976 61.300 -0.268 0.000 1.182 839 I CB 1.820 39.680 38.000 -0.234 0.000 1.368 839 I HN 0.584 nan 8.210 nan 0.000 0.511 840 Q N 5.853 125.280 119.800 -0.621 0.000 2.401 840 Q HA 0.358 4.698 4.340 -0.001 0.000 0.260 840 Q C -1.570 174.226 176.000 -0.341 0.000 1.034 840 Q CA -0.554 55.008 55.803 -0.401 0.000 0.737 840 Q CB 1.163 29.729 28.738 -0.287 0.000 1.227 840 Q HN 0.597 nan 8.270 nan 0.000 0.488 841 L N 4.336 125.514 121.223 -0.074 0.000 2.401 841 L HA 0.212 4.551 4.340 -0.001 0.000 0.283 841 L C 0.690 177.619 176.870 0.098 0.000 1.151 841 L CA 0.251 55.130 54.840 0.064 0.000 0.942 841 L CB 0.037 42.169 42.059 0.121 0.000 1.283 841 L HN 0.274 nan 8.230 nan 0.000 0.442 842 K N 1.731 122.214 120.400 0.138 0.000 2.440 842 K HA 0.794 5.113 4.320 -0.001 0.000 0.252 842 K C 0.404 176.977 176.600 -0.045 0.000 1.044 842 K CA -0.359 55.964 56.287 0.061 0.000 0.962 842 K CB 1.102 33.651 32.500 0.082 0.000 1.269 842 K HN 0.609 nan 8.250 nan 0.000 0.505 843 G N -0.670 108.079 108.800 -0.085 0.000 2.320 843 G HA2 0.273 4.233 3.960 -0.001 0.000 0.297 843 G HA3 0.273 4.233 3.960 -0.001 0.000 0.297 843 G C -1.586 173.202 174.900 -0.186 0.000 1.344 843 G CA -0.586 44.415 45.100 -0.165 0.000 0.851 843 G HN 0.604 nan 8.290 nan 0.000 0.567 844 T N -2.740 111.637 114.554 -0.295 0.000 3.395 844 T HA 0.602 4.951 4.350 -0.001 0.000 0.330 844 T C -0.731 173.588 174.700 -0.636 0.000 1.076 844 T CA -0.034 61.850 62.100 -0.359 0.000 1.070 844 T CB 1.178 69.900 68.868 -0.243 0.000 1.119 844 T HN 2.010 nan 8.240 nan 0.000 0.462 845 V N 5.602 125.211 119.914 -0.508 0.000 2.530 845 V HA 0.480 4.600 4.120 -0.001 0.000 0.282 845 V C -1.073 174.730 176.094 -0.486 0.000 1.048 845 V CA -0.558 61.416 62.300 -0.544 0.000 0.997 845 V CB 0.113 31.622 31.823 -0.522 0.000 0.987 845 V HN 0.921 nan 8.190 nan 0.000 0.477 846 Y N 6.005 125.945 120.300 -0.600 0.000 2.367 846 Y HA 0.379 4.929 4.550 -0.001 0.000 0.342 846 Y C 0.694 176.192 175.900 -0.669 0.000 0.979 846 Y CA -0.629 56.953 58.100 -0.864 0.000 1.161 846 Y CB 1.130 38.588 38.460 -1.670 0.000 1.155 846 Y HN 0.672 nan 8.280 nan 0.000 0.503 847 N N 3.021 121.577 118.700 -0.240 0.000 2.426 847 N HA 0.103 4.843 4.740 -0.001 0.000 0.275 847 N C -0.874 174.618 175.510 -0.030 0.000 1.019 847 N CA -0.063 52.947 53.050 -0.066 0.000 0.941 847 N CB 0.684 39.209 38.487 0.063 0.000 1.123 847 N HN 0.583 nan 8.380 nan 0.000 0.486 848 Y N 1.073 121.521 120.300 0.246 0.000 2.666 848 Y HA 0.265 4.814 4.550 -0.001 0.000 0.260 848 Y C 0.511 176.560 175.900 0.248 0.000 1.089 848 Y CA -0.549 57.706 58.100 0.258 0.000 1.246 848 Y CB -0.042 38.700 38.460 0.470 0.000 1.353 848 Y HN 0.452 nan 8.280 nan 0.000 0.558 849 R N 1.130 121.859 120.500 0.381 0.000 2.641 849 R HA 0.139 4.479 4.340 -0.001 0.000 0.269 849 R C 1.549 177.967 176.300 0.197 0.000 1.074 849 R CA 1.117 57.388 56.100 0.285 0.000 1.133 849 R CB 0.633 31.110 30.300 0.295 0.000 1.029 849 R HN 0.312 nan 8.270 nan 0.000 0.488 850 T N -0.405 114.233 114.554 0.141 0.000 2.652 850 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 850 T C 0.878 175.623 174.700 0.075 0.000 1.039 850 T CA 1.170 63.324 62.100 0.089 0.000 1.153 850 T CB -0.549 68.353 68.868 0.056 0.000 0.863 850 T HN 0.625 nan 8.240 nan 0.000 0.428 851 S N 1.034 116.778 115.700 0.073 0.000 2.645 851 S HA 0.639 5.109 4.470 -0.001 0.000 0.266 851 S C 0.893 175.533 174.600 0.067 0.000 1.258 851 S CA -0.662 57.569 58.200 0.052 0.000 0.990 851 S CB 0.839 64.060 63.200 0.035 0.000 0.967 851 S HN 0.695 nan 8.310 nan 0.000 0.556 852 G N 0.012 108.835 108.800 0.039 0.000 2.570 852 G HA2 0.563 4.522 3.960 -0.001 0.000 0.276 852 G HA3 0.563 4.522 3.960 -0.001 0.000 0.276 852 G C -0.227 174.694 174.900 0.035 0.000 1.346 852 G CA -0.361 44.760 45.100 0.035 0.000 1.034 852 G HN 1.103 nan 8.290 nan 0.000 0.512 853 M N -2.933 116.676 119.600 0.015 0.000 3.196 853 M HA 0.402 4.881 4.480 -0.001 0.000 0.279 853 M C -1.877 174.392 176.300 -0.051 0.000 1.173 853 M CA -0.938 54.362 55.300 0.000 0.000 0.820 853 M CB 1.525 34.158 32.600 0.055 0.000 1.621 853 M HN 0.398 nan 8.290 nan 0.000 0.521 854 Q N 1.207 120.979 119.800 -0.045 0.000 2.274 854 Q HA 0.750 5.089 4.340 -0.001 0.000 0.260 854 Q C -1.422 174.569 176.000 -0.015 0.000 0.974 854 Q CA -0.662 55.067 55.803 -0.123 0.000 0.876 854 Q CB 2.102 30.804 28.738 -0.060 0.000 1.297 854 Q HN 0.551 nan 8.270 nan 0.000 0.446 855 F N -1.499 118.454 119.950 0.006 0.000 2.900 855 F HA 0.821 5.347 4.527 -0.001 0.000 0.375 855 F C -0.707 175.111 175.800 0.030 0.000 1.258 855 F CA -2.018 55.987 58.000 0.010 0.000 1.094 855 F CB 1.033 40.033 39.000 0.001 0.000 1.505 855 F HN 0.515 nan 8.300 nan 0.000 0.510 856 c N 2.433 121.410 118.600 0.628 0.000 2.931 856 c HA 0.504 5.073 4.570 -0.001 0.000 0.380 856 c C -1.053 173.218 174.090 0.301 0.000 0.876 856 c CA -0.628 55.938 56.329 0.394 0.000 1.188 856 c CB -0.808 41.818 42.510 0.194 0.000 1.500 856 c HN 0.903 nan 8.230 nan 0.000 0.597 857 V N 2.915 123.020 119.914 0.320 0.000 2.461 857 V HA 0.738 4.858 4.120 -0.001 0.000 0.275 857 V C -0.239 176.102 176.094 0.412 0.000 1.047 857 V CA -0.029 62.425 62.300 0.256 0.000 0.955 857 V CB 1.162 33.085 31.823 0.167 0.000 0.988 857 V HN 0.790 nan 8.190 nan 0.000 0.471 858 K N 5.092 125.682 120.400 0.317 0.000 2.482 858 K HA 0.681 5.000 4.320 -0.001 0.000 0.251 858 K C -0.836 175.822 176.600 0.097 0.000 0.936 858 K CA -0.871 55.608 56.287 0.319 0.000 0.791 858 K CB 2.521 35.136 32.500 0.191 0.000 1.213 858 K HN 0.825 nan 8.250 nan 0.000 0.428 859 M N 2.369 121.965 119.600 -0.007 0.000 2.233 859 M HA 0.181 4.661 4.480 -0.001 0.000 0.355 859 M C -0.512 175.614 176.300 -0.289 0.000 1.191 859 M CA -0.155 54.859 55.300 -0.477 0.000 1.101 859 M CB 1.736 33.916 32.600 -0.700 0.000 1.592 859 M HN 0.823 nan 8.290 nan 0.000 0.461 860 S N 4.138 119.604 115.700 -0.390 0.000 2.481 860 S HA 0.453 4.923 4.470 -0.001 0.000 0.276 860 S C 0.129 174.617 174.600 -0.187 0.000 1.247 860 S CA -0.483 57.583 58.200 -0.223 0.000 1.053 860 S CB 0.109 63.184 63.200 -0.209 0.000 0.925 860 S HN 0.836 nan 8.310 nan 0.000 0.491 861 A N 5.784 128.543 122.820 -0.101 0.000 2.489 861 A HA 0.409 4.729 4.320 -0.001 0.000 0.289 861 A C 0.054 177.598 177.584 -0.066 0.000 1.216 861 A CA -0.447 51.549 52.037 -0.069 0.000 0.883 861 A CB -0.339 18.642 19.000 -0.032 0.000 1.110 861 A HN 0.824 nan 8.150 nan 0.000 0.523 862 V N 4.665 124.536 119.914 -0.072 0.000 2.385 862 V HA 0.105 4.224 4.120 -0.001 0.000 0.269 862 V C 1.374 177.447 176.094 -0.034 0.000 1.043 862 V CA -0.408 61.860 62.300 -0.053 0.000 0.906 862 V CB 0.511 32.301 31.823 -0.055 0.000 0.995 862 V HN 1.111 nan 8.190 nan 0.000 0.467 863 E N 4.365 124.549 120.200 -0.026 0.000 3.022 863 E HA -0.362 3.988 4.350 -0.001 0.000 0.210 863 E C 1.826 178.414 176.600 -0.020 0.000 0.881 863 E CA 2.540 58.928 56.400 -0.019 0.000 1.524 863 E CB -0.864 28.828 29.700 -0.014 0.000 1.544 863 E HN 0.937 nan 8.360 nan 0.000 0.432 864 G N 0.615 109.402 108.800 -0.022 0.000 2.985 864 G HA2 0.239 4.198 3.960 -0.001 0.000 0.209 864 G HA3 0.239 4.198 3.960 -0.001 0.000 0.209 864 G C 0.980 175.863 174.900 -0.028 0.000 1.165 864 G CA 0.068 45.153 45.100 -0.025 0.000 0.776 864 G HN 0.189 nan 8.290 nan 0.000 0.541 865 I N 0.172 120.726 120.570 -0.027 0.000 2.532 865 I HA 0.270 4.440 4.170 -0.001 0.000 0.292 865 I C 0.145 176.254 176.117 -0.014 0.000 1.014 865 I CA -0.934 60.352 61.300 -0.024 0.000 1.340 865 I CB 1.295 39.278 38.000 -0.029 0.000 1.422 865 I HN -0.161 nan 8.210 nan 0.000 0.528 866 C N 3.570 122.868 119.300 -0.004 0.000 2.351 866 C HA 0.793 5.252 4.460 -0.001 0.000 0.359 866 C C 0.571 175.572 174.990 0.020 0.000 1.193 866 C CA 0.290 59.312 59.018 0.007 0.000 2.270 866 C CB 0.981 28.729 27.740 0.014 0.000 2.369 866 C HN 1.005 nan 8.230 nan 0.000 0.553 867 T N 0.223 114.791 114.554 0.024 0.000 2.658 867 T HA 0.237 4.586 4.350 -0.001 0.000 0.306 867 T C 0.135 174.854 174.700 0.032 0.000 1.544 867 T CA -0.501 61.623 62.100 0.039 0.000 0.991 867 T CB 0.933 69.833 68.868 0.053 0.000 1.774 867 T HN 0.397 nan 8.240 nan 0.000 0.479 868 S N -0.515 115.208 115.700 0.038 0.000 2.502 868 S HA 0.188 4.657 4.470 -0.001 0.000 0.215 868 S C 0.555 175.167 174.600 0.020 0.000 1.009 868 S CA -0.170 58.042 58.200 0.021 0.000 0.908 868 S CB 0.111 63.317 63.200 0.010 0.000 0.801 868 S HN 0.601 nan 8.310 nan 0.000 0.505 869 E N 3.001 123.220 120.200 0.032 0.000 2.373 869 E HA 0.191 4.540 4.350 -0.001 0.000 0.263 869 E C 0.381 176.992 176.600 0.017 0.000 1.073 869 E CA -0.024 56.392 56.400 0.027 0.000 0.894 869 E CB 1.060 30.784 29.700 0.040 0.000 1.008 869 E HN 0.343 nan 8.360 nan 0.000 0.420 883 c N 3.196 121.839 118.600 0.071 0.000 2.135 883 c HA 0.427 4.996 4.570 -0.001 0.000 0.345 883 c C 0.325 174.456 174.090 0.069 0.000 1.067 883 c CA -0.297 56.081 56.329 0.081 0.000 1.517 883 c CB -1.159 41.387 42.510 0.061 0.000 1.923 883 c HN 0.450 nan 8.230 nan 0.000 0.466 884 V N 5.608 125.574 119.914 0.087 0.000 2.125 884 V HA 0.322 4.441 4.120 -0.001 0.000 0.263 884 V C 0.779 176.920 176.094 0.078 0.000 1.365 884 V CA -0.562 61.776 62.300 0.062 0.000 1.276 884 V CB -0.897 30.949 31.823 0.039 0.000 1.350 884 V HN 0.865 nan 8.190 nan 0.000 0.487 885 R N 1.607 122.126 120.500 0.031 0.000 2.522 885 R HA 0.442 4.782 4.340 -0.001 0.000 0.284 885 R C -0.216 175.958 176.300 -0.209 0.000 1.032 885 R CA -0.098 55.974 56.100 -0.048 0.000 1.049 885 R CB 0.529 30.803 30.300 -0.043 0.000 0.956 885 R HN 0.664 nan 8.270 nan 0.000 0.422 886 Q N 1.788 121.220 119.800 -0.613 0.000 2.873 886 Q HA 0.470 4.810 4.340 -0.001 0.000 0.297 886 Q C -1.525 173.807 176.000 -1.113 0.000 1.064 886 Q CA -0.946 54.361 55.803 -0.826 0.000 0.816 886 Q CB 1.916 30.245 28.738 -0.682 0.000 1.481 886 Q HN 0.638 nan 8.270 nan 0.000 0.488 887 K N -0.065 119.832 120.400 -0.839 0.000 2.443 887 K HA 0.534 4.853 4.320 -0.001 0.000 0.252 887 K C -1.591 174.750 176.600 -0.432 0.000 0.933 887 K CA -0.767 55.195 56.287 -0.541 0.000 0.792 887 K CB 2.042 34.349 32.500 -0.322 0.000 1.185 887 K HN 0.375 nan 8.250 nan 0.000 0.425 888 V N -0.326 119.484 119.914 -0.174 0.000 2.370 888 V HA 0.428 4.547 4.120 -0.001 0.000 0.283 888 V C 0.196 176.290 176.094 -0.000 0.000 1.023 888 V CA -0.952 61.347 62.300 -0.003 0.000 0.857 888 V CB 1.069 32.998 31.823 0.177 0.000 0.985 888 V HN 0.797 nan 8.190 nan 0.000 0.443 889 E N 3.470 123.677 120.200 0.012 0.000 2.413 889 E HA 0.161 4.510 4.350 -0.001 0.000 0.263 889 E C 0.598 177.235 176.600 0.061 0.000 1.015 889 E CA 0.193 56.611 56.400 0.029 0.000 0.916 889 E CB 0.689 30.414 29.700 0.042 0.000 0.947 889 E HN 0.994 nan 8.360 nan 0.000 0.440 890 G N 1.664 110.497 108.800 0.056 0.000 2.414 890 G HA2 0.140 4.100 3.960 -0.001 0.000 0.236 890 G HA3 0.140 4.100 3.960 -0.001 0.000 0.236 890 G C 0.031 174.995 174.900 0.105 0.000 1.293 890 G CA 0.055 45.203 45.100 0.081 0.000 0.869 890 G HN 0.814 nan 8.290 nan 0.000 0.556 891 S N -0.033 115.761 115.700 0.156 0.000 3.711 891 S HA -0.165 4.304 4.470 -0.001 0.000 0.374 891 S C 0.670 175.384 174.600 0.190 0.000 0.969 891 S CA 0.831 59.162 58.200 0.218 0.000 1.198 891 S CB -1.982 61.300 63.200 0.136 0.000 0.903 891 S HN 1.068 nan 8.310 nan 0.000 0.493 892 S N -0.755 115.036 115.700 0.153 0.000 4.078 892 S HA 0.847 5.316 4.470 -0.001 0.000 0.290 892 S C -0.678 173.994 174.600 0.120 0.000 1.069 892 S CA -0.076 58.202 58.200 0.131 0.000 1.246 892 S CB 1.840 65.110 63.200 0.118 0.000 1.659 892 S HN 0.795 nan 8.310 nan 0.000 0.624 893 S N 0.234 116.035 115.700 0.170 0.000 2.560 893 S HA 0.389 4.859 4.470 -0.001 0.000 0.283 893 S C -2.310 172.429 174.600 0.232 0.000 1.141 893 S CA -0.449 57.867 58.200 0.193 0.000 0.902 893 S CB 0.859 64.239 63.200 0.300 0.000 1.104 893 S HN 0.611 nan 8.310 nan 0.000 0.454 894 H N 4.334 123.451 119.070 0.078 0.000 2.623 894 H HA 0.406 4.961 4.556 -0.001 0.000 0.299 894 H C 0.112 175.442 175.328 0.004 0.000 1.052 894 H CA -0.434 55.679 56.048 0.109 0.000 1.231 894 H CB 0.670 30.603 29.762 0.284 0.000 1.389 894 H HN 0.562 nan 8.280 nan 0.000 0.469 895 L N 4.289 125.439 121.223 -0.121 0.000 2.517 895 L HA -0.123 4.216 4.340 -0.001 0.000 0.294 895 L C -0.145 176.638 176.870 -0.145 0.000 1.264 895 L CA 0.575 55.332 54.840 -0.138 0.000 0.839 895 L CB 0.330 42.291 42.059 -0.164 0.000 1.098 895 L HN 0.334 nan 8.230 nan 0.000 0.525 896 V N -0.046 119.797 119.914 -0.117 0.000 3.158 896 V HA 0.848 4.967 4.120 -0.001 0.000 0.311 896 V C -0.208 175.878 176.094 -0.012 0.000 1.181 896 V CA -0.339 61.929 62.300 -0.054 0.000 1.054 896 V CB 2.109 33.913 31.823 -0.032 0.000 1.085 896 V HN 0.892 nan 8.190 nan 0.000 0.446 897 T N -0.629 113.940 114.554 0.025 0.000 2.830 897 T HA 0.740 5.090 4.350 -0.001 0.000 0.322 897 T C -1.872 172.844 174.700 0.026 0.000 1.501 897 T CA -0.416 61.735 62.100 0.085 0.000 1.036 897 T CB 1.482 70.339 68.868 -0.018 0.000 1.379 897 T HN 0.456 nan 8.240 nan 0.000 0.493 898 F N 1.171 121.122 119.950 0.003 0.000 2.604 898 F HA 0.552 5.078 4.527 -0.001 0.000 0.316 898 F C 0.342 176.142 175.800 0.000 0.000 1.136 898 F CA -0.863 57.158 58.000 0.036 0.000 0.989 898 F CB 2.710 41.785 39.000 0.125 0.000 1.258 898 F HN 0.883 nan 8.300 nan 0.000 0.451 899 T N 0.575 115.205 114.554 0.127 0.000 2.859 899 T HA 0.893 5.242 4.350 -0.001 0.000 0.281 899 T C -0.621 174.116 174.700 0.062 0.000 1.005 899 T CA -0.619 61.508 62.100 0.045 0.000 1.025 899 T CB 1.623 70.478 68.868 -0.021 0.000 0.977 899 T HN 0.628 nan 8.240 nan 0.000 0.458 900 V N 0.441 120.371 119.914 0.026 0.000 3.182 900 V HA 0.910 5.029 4.120 -0.001 0.000 0.308 900 V C -1.091 175.010 176.094 0.012 0.000 1.240 900 V CA -1.442 60.875 62.300 0.028 0.000 1.063 900 V CB 1.702 33.545 31.823 0.033 0.000 1.076 900 V HN 1.194 nan 8.190 nan 0.000 0.446 901 L N 1.322 122.556 121.223 0.018 0.000 2.753 901 L HA 0.715 5.054 4.340 -0.001 0.000 0.259 901 L C -3.135 173.735 176.870 -0.000 0.000 0.958 901 L CA -0.938 53.916 54.840 0.025 0.000 0.955 901 L CB 2.447 44.552 42.059 0.076 0.000 1.317 901 L HN 0.585 nan 8.230 nan 0.000 0.436 902 P HA 0.357 nan 4.420 nan 0.000 0.281 902 P C -0.387 176.884 177.300 -0.048 0.000 1.249 902 P CA -0.543 62.536 63.100 -0.036 0.000 0.810 902 P CB 1.219 32.891 31.700 -0.048 0.000 1.008 903 L N -0.315 120.877 121.223 -0.052 0.000 2.878 903 L HA 0.282 4.621 4.340 -0.001 0.000 0.253 903 L C 0.545 177.380 176.870 -0.059 0.000 1.135 903 L CA 0.778 55.583 54.840 -0.059 0.000 0.943 903 L CB -0.839 41.188 42.059 -0.054 0.000 1.307 903 L HN 0.360 nan 8.230 nan 0.000 0.545 904 E N 2.057 122.222 120.200 -0.059 0.000 2.046 904 E HA 0.351 4.700 4.350 -0.001 0.000 0.279 904 E C -0.235 176.311 176.600 -0.089 0.000 0.989 904 E CA -0.356 56.007 56.400 -0.062 0.000 0.798 904 E CB 1.842 31.513 29.700 -0.049 0.000 1.086 904 E HN 0.144 nan 8.360 nan 0.000 0.399 905 I N 2.139 122.654 120.570 -0.091 0.000 2.517 905 I HA 0.055 4.225 4.170 -0.001 0.000 0.285 905 I C 1.406 177.442 176.117 -0.135 0.000 1.106 905 I CA 0.553 61.784 61.300 -0.115 0.000 1.402 905 I CB 0.271 38.200 38.000 -0.118 0.000 1.399 905 I HN 0.895 nan 8.210 nan 0.000 0.535 906 G N 5.133 113.811 108.800 -0.204 0.000 2.268 906 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.240 906 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.240 906 G C 0.131 174.588 174.900 -0.739 0.000 1.010 906 G CA -0.281 44.618 45.100 -0.334 0.000 0.618 906 G HN 0.529 nan 8.290 nan 0.000 0.516 907 L N 2.829 123.820 121.223 -0.386 0.000 2.559 907 L HA 0.546 4.885 4.340 -0.001 0.000 0.274 907 L C 0.673 177.355 176.870 -0.314 0.000 1.205 907 L CA -0.036 54.646 54.840 -0.262 0.000 0.907 907 L CB -0.138 41.866 42.059 -0.091 0.000 1.153 907 L HN 0.462 nan 8.230 nan 0.000 0.490 908 H N 3.099 122.160 119.070 -0.015 0.000 3.315 908 H HA 0.483 5.038 4.556 -0.001 0.000 0.280 908 H C -0.065 175.250 175.328 -0.021 0.000 1.664 908 H CA -0.791 55.251 56.048 -0.011 0.000 1.531 908 H CB 0.069 29.829 29.762 -0.003 0.000 1.673 908 H HN 0.809 nan 8.280 nan 0.000 0.857 909 N N 0.203 118.992 118.700 0.148 0.000 4.004 909 N HA -0.207 4.533 4.740 -0.001 0.000 0.308 909 N C -1.541 173.955 175.510 -0.024 0.000 2.168 909 N CA 0.291 53.368 53.050 0.044 0.000 2.861 909 N CB -0.217 38.283 38.487 0.022 0.000 0.389 909 N HN 0.558 nan 8.380 nan 0.000 0.708 910 I N 2.560 123.089 120.570 -0.069 0.000 2.571 910 I HA 0.150 4.320 4.170 -0.001 0.000 0.286 910 I C -1.072 174.871 176.117 -0.289 0.000 1.134 910 I CA -0.730 60.430 61.300 -0.233 0.000 1.052 910 I CB 1.655 39.472 38.000 -0.305 0.000 1.237 910 I HN 0.448 nan 8.210 nan 0.000 0.435 911 N N 6.463 124.982 118.700 -0.301 0.000 2.414 911 N HA 0.446 5.185 4.740 -0.001 0.000 0.256 911 N C -1.067 174.238 175.510 -0.342 0.000 1.029 911 N CA -0.092 52.830 53.050 -0.212 0.000 0.948 911 N CB 0.533 38.950 38.487 -0.117 0.000 1.102 911 N HN 0.241 nan 8.380 nan 0.000 0.496 912 F N 0.459 120.348 119.950 -0.101 0.000 2.379 912 F HA 0.518 5.044 4.527 -0.001 0.000 0.332 912 F C 0.997 176.748 175.800 -0.082 0.000 1.096 912 F CA -0.469 57.449 58.000 -0.137 0.000 1.105 912 F CB 1.492 40.383 39.000 -0.181 0.000 1.189 912 F HN 0.231 nan 8.300 nan 0.000 0.515 913 S N 3.635 119.409 115.700 0.124 0.000 2.575 913 S HA 0.792 5.261 4.470 -0.001 0.000 0.278 913 S C -1.445 173.207 174.600 0.087 0.000 1.139 913 S CA -0.692 57.554 58.200 0.076 0.000 0.954 913 S CB 0.671 63.895 63.200 0.041 0.000 1.054 913 S HN 0.520 nan 8.310 nan 0.000 0.483 914 L N 1.907 123.167 121.223 0.062 0.000 2.323 914 L HA 0.955 5.295 4.340 -0.001 0.000 0.265 914 L C -0.689 176.222 176.870 0.070 0.000 1.012 914 L CA -0.634 54.248 54.840 0.070 0.000 0.820 914 L CB 1.115 43.180 42.059 0.011 0.000 1.334 914 L HN 0.556 nan 8.230 nan 0.000 0.427 915 E N -0.243 120.021 120.200 0.106 0.000 2.275 915 E HA 0.799 5.148 4.350 -0.001 0.000 0.270 915 E C -1.278 175.368 176.600 0.076 0.000 0.882 915 E CA -0.503 55.938 56.400 0.069 0.000 0.758 915 E CB 2.395 32.133 29.700 0.064 0.000 1.195 915 E HN 0.844 nan 8.360 nan 0.000 0.419 916 T N 1.344 115.903 114.554 0.008 0.000 2.883 916 T HA 0.113 4.463 4.350 -0.001 0.000 0.301 916 T C -0.014 174.698 174.700 0.020 0.000 1.158 916 T CA -0.785 61.312 62.100 -0.005 0.000 1.007 916 T CB 0.928 69.689 68.868 -0.178 0.000 1.186 916 T HN 0.556 nan 8.240 nan 0.000 0.499 917 W N 1.713 122.954 121.300 -0.098 0.000 2.280 917 W HA -0.252 4.408 4.660 -0.001 0.000 0.332 917 W C 1.135 177.702 176.519 0.079 0.000 1.300 917 W CA 2.030 59.390 57.345 0.024 0.000 1.274 917 W CB -0.267 29.270 29.460 0.130 0.000 1.141 917 W HN 0.765 nan 8.180 nan 0.000 0.474 918 F N 0.054 120.152 119.950 0.248 0.000 2.639 918 F HA 0.652 5.178 4.527 -0.001 0.000 0.300 918 F C 0.260 176.111 175.800 0.084 0.000 1.109 918 F CA 0.252 58.331 58.000 0.133 0.000 1.335 918 F CB -0.590 38.508 39.000 0.162 0.000 1.014 918 F HN -0.170 nan 8.300 nan 0.000 0.537 919 G N 0.657 109.407 108.800 -0.083 0.000 2.601 919 G HA2 0.513 4.473 3.960 -0.001 0.000 0.291 919 G HA3 0.513 4.473 3.960 -0.001 0.000 0.291 919 G C -2.225 172.649 174.900 -0.044 0.000 1.456 919 G CA -1.201 43.866 45.100 -0.055 0.000 0.804 919 G HN 0.199 nan 8.290 nan 0.000 0.499 920 K N 0.277 120.671 120.400 -0.010 0.000 2.589 920 K HA 0.507 4.826 4.320 -0.001 0.000 0.253 920 K C -1.683 174.925 176.600 0.014 0.000 0.974 920 K CA -0.531 55.757 56.287 0.002 0.000 0.835 920 K CB 2.330 34.831 32.500 0.002 0.000 1.272 920 K HN 0.519 nan 8.250 nan 0.000 0.444 921 E N 3.739 123.951 120.200 0.020 0.000 2.288 921 E HA 0.511 4.860 4.350 -0.001 0.000 0.268 921 E C -1.352 175.268 176.600 0.033 0.000 0.885 921 E CA -0.692 55.724 56.400 0.027 0.000 0.767 921 E CB 1.515 31.235 29.700 0.032 0.000 1.220 921 E HN 0.495 nan 8.360 nan 0.000 0.427 922 I N 4.689 125.279 120.570 0.033 0.000 2.448 922 I HA 0.230 4.399 4.170 -0.001 0.000 0.281 922 I C -1.215 174.929 176.117 0.046 0.000 1.027 922 I CA -0.989 60.333 61.300 0.037 0.000 1.111 922 I CB 1.259 39.270 38.000 0.018 0.000 1.236 922 I HN 0.421 nan 8.210 nan 0.000 0.452 923 L N 9.187 130.454 121.223 0.074 0.000 2.264 923 L HA 0.546 4.885 4.340 -0.001 0.000 0.289 923 L C -0.646 176.291 176.870 0.113 0.000 1.044 923 L CA -0.094 54.795 54.840 0.082 0.000 0.807 923 L CB 1.341 43.445 42.059 0.076 0.000 1.192 923 L HN 0.244 nan 8.230 nan 0.000 0.425 924 V N 4.292 124.250 119.914 0.073 0.000 2.539 924 V HA 0.644 4.764 4.120 -0.001 0.000 0.292 924 V C 0.238 176.385 176.094 0.088 0.000 1.045 924 V CA -0.647 61.690 62.300 0.062 0.000 0.945 924 V CB 1.158 32.992 31.823 0.018 0.000 0.993 924 V HN 0.817 nan 8.190 nan 0.000 0.464 925 K N 1.519 121.981 120.400 0.104 0.000 2.372 925 K HA 0.874 5.194 4.320 -0.001 0.000 0.251 925 K C -0.818 175.836 176.600 0.090 0.000 1.055 925 K CA -0.477 55.884 56.287 0.124 0.000 0.879 925 K CB 2.417 35.055 32.500 0.230 0.000 1.384 925 K HN 0.953 nan 8.250 nan 0.000 0.465 926 T N -0.667 113.951 114.554 0.106 0.000 3.172 926 T HA 0.397 4.747 4.350 -0.001 0.000 0.320 926 T C -1.347 173.425 174.700 0.120 0.000 1.085 926 T CA -0.753 61.417 62.100 0.118 0.000 1.052 926 T CB 0.492 69.431 68.868 0.118 0.000 1.107 926 T HN 0.429 nan 8.240 nan 0.000 0.458 927 L N 3.001 124.281 121.223 0.095 0.000 2.296 927 L HA 0.638 4.978 4.340 -0.001 0.000 0.286 927 L C -0.365 176.486 176.870 -0.033 0.000 1.023 927 L CA -1.014 53.851 54.840 0.042 0.000 0.812 927 L CB 1.184 43.257 42.059 0.023 0.000 1.223 927 L HN 0.687 nan 8.230 nan 0.000 0.421 928 R N 3.998 124.469 120.500 -0.048 0.000 2.210 928 R HA 0.416 4.755 4.340 -0.001 0.000 0.338 928 R C -0.916 175.298 176.300 -0.144 0.000 1.062 928 R CA -0.387 55.636 56.100 -0.128 0.000 0.902 928 R CB 1.226 31.420 30.300 -0.176 0.000 1.050 928 R HN 0.428 nan 8.270 nan 0.000 0.461 929 V N 4.609 124.418 119.914 -0.174 0.000 2.427 929 V HA 0.434 4.553 4.120 -0.001 0.000 0.286 929 V C 0.222 176.243 176.094 -0.121 0.000 1.034 929 V CA -0.701 61.519 62.300 -0.133 0.000 0.893 929 V CB 1.546 33.287 31.823 -0.136 0.000 0.982 929 V HN 0.407 nan 8.190 nan 0.000 0.452 930 V N 5.507 125.366 119.914 -0.091 0.000 3.126 930 V HA 0.671 4.791 4.120 -0.001 0.000 0.314 930 V C -2.455 173.587 176.094 -0.088 0.000 1.138 930 V CA -1.776 60.478 62.300 -0.076 0.000 1.034 930 V CB 2.325 34.135 31.823 -0.023 0.000 1.075 930 V HN 0.739 nan 8.190 nan 0.000 0.442 931 P HA 0.640 nan 4.420 nan 0.000 0.352 931 P C -1.727 175.601 177.300 0.048 0.000 1.201 931 P CA -0.674 62.373 63.100 -0.087 0.000 0.780 931 P CB 0.982 32.543 31.700 -0.233 0.000 1.573 932 E N -0.979 119.284 120.200 0.104 0.000 2.325 932 E HA 0.592 4.941 4.350 -0.001 0.000 0.248 932 E C -0.432 176.406 176.600 0.398 0.000 0.912 932 E CA -0.618 55.889 56.400 0.178 0.000 0.782 932 E CB 0.389 30.088 29.700 -0.002 0.000 1.264 932 E HN 0.745 nan 8.360 nan 0.000 0.417 933 G N 1.375 110.465 108.800 0.484 0.000 2.797 933 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.192 933 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.192 933 G C -0.277 174.737 174.900 0.190 0.000 1.101 933 G CA -0.756 44.584 45.100 0.400 0.000 0.930 933 G HN 0.383 nan 8.290 nan 0.000 0.512 934 V N 0.773 120.768 119.914 0.136 0.000 2.425 934 V HA 0.402 4.521 4.120 -0.001 0.000 0.276 934 V C 0.555 176.598 176.094 -0.086 0.000 1.017 934 V CA 0.375 62.638 62.300 -0.063 0.000 1.062 934 V CB 1.021 32.817 31.823 -0.046 0.000 0.997 934 V HN 0.416 nan 8.190 nan 0.000 0.476 935 K N 5.154 125.486 120.400 -0.113 0.000 2.378 935 K HA 0.570 4.889 4.320 -0.001 0.000 0.252 935 K C -0.333 176.217 176.600 -0.083 0.000 0.931 935 K CA -0.686 55.559 56.287 -0.070 0.000 0.794 935 K CB 1.673 34.153 32.500 -0.033 0.000 1.181 935 K HN 0.774 nan 8.250 nan 0.000 0.425 936 R N 1.973 122.445 120.500 -0.045 0.000 2.513 936 R HA 0.434 4.773 4.340 -0.001 0.000 0.301 936 R C -1.060 175.226 176.300 -0.024 0.000 0.968 936 R CA -0.656 55.414 56.100 -0.049 0.000 0.872 936 R CB 1.407 31.673 30.300 -0.057 0.000 1.177 936 R HN 0.632 nan 8.270 nan 0.000 0.444 937 E N 2.391 122.572 120.200 -0.032 0.000 2.186 937 E HA 0.209 4.558 4.350 -0.001 0.000 0.255 937 E C -0.677 175.870 176.600 -0.088 0.000 0.881 937 E CA -0.955 55.450 56.400 0.008 0.000 0.752 937 E CB 1.715 31.469 29.700 0.090 0.000 1.176 937 E HN 0.758 nan 8.360 nan 0.000 0.421 938 S N 2.300 117.931 115.700 -0.115 0.000 2.559 938 S HA -0.043 4.427 4.470 -0.001 0.000 0.226 938 S C 1.283 175.787 174.600 -0.160 0.000 1.000 938 S CA -0.315 57.778 58.200 -0.179 0.000 0.948 938 S CB -0.887 62.181 63.200 -0.221 0.000 0.870 938 S HN 0.659 nan 8.310 nan 0.000 0.497 939 Y N 3.234 123.502 120.300 -0.054 0.000 2.538 939 Y HA 0.057 4.607 4.550 -0.001 0.000 0.287 939 Y C 0.781 176.703 175.900 0.036 0.000 1.157 939 Y CA 0.017 58.104 58.100 -0.021 0.000 1.338 939 Y CB -1.631 36.826 38.460 -0.006 0.000 0.970 939 Y HN 0.304 nan 8.280 nan 0.000 0.564 940 S N 0.586 116.165 115.700 -0.201 0.000 2.525 940 S HA 0.534 5.003 4.470 -0.001 0.000 0.285 940 S C 0.265 175.003 174.600 0.231 0.000 1.283 940 S CA -0.020 58.253 58.200 0.122 0.000 1.072 940 S CB 0.769 64.144 63.200 0.293 0.000 0.867 940 S HN 0.915 nan 8.310 nan 0.000 0.492 941 G N 1.463 110.452 108.800 0.314 0.000 2.655 941 G HA2 0.529 4.488 3.960 -0.001 0.000 0.296 941 G HA3 0.529 4.488 3.960 -0.001 0.000 0.296 941 G C -1.335 173.628 174.900 0.104 0.000 1.485 941 G CA -0.627 44.571 45.100 0.163 0.000 0.869 941 G HN 0.982 nan 8.290 nan 0.000 0.540 942 V N -0.232 119.706 119.914 0.041 0.000 3.102 942 V HA 0.822 4.941 4.120 -0.001 0.000 0.312 942 V C -0.086 175.959 176.094 -0.081 0.000 1.135 942 V CA -1.015 61.285 62.300 -0.001 0.000 1.022 942 V CB 2.187 34.030 31.823 0.033 0.000 1.056 942 V HN 0.857 nan 8.190 nan 0.000 0.436 943 T N 2.841 117.363 114.554 -0.054 0.000 2.779 943 T HA 0.564 4.913 4.350 -0.001 0.000 0.280 943 T C -0.366 174.295 174.700 -0.065 0.000 0.987 943 T CA -0.350 61.697 62.100 -0.088 0.000 0.966 943 T CB 0.972 69.774 68.868 -0.109 0.000 0.933 943 T HN 0.416 nan 8.240 nan 0.000 0.442 944 L N 3.484 124.662 121.223 -0.075 0.000 2.361 944 L HA 0.314 4.653 4.340 -0.001 0.000 0.278 944 L C 0.011 176.837 176.870 -0.074 0.000 1.113 944 L CA 0.036 54.834 54.840 -0.069 0.000 0.849 944 L CB 0.381 42.392 42.059 -0.079 0.000 1.155 944 L HN 0.649 nan 8.230 nan 0.000 0.452 945 D N 5.629 125.996 120.400 -0.054 0.000 2.346 945 D HA 0.266 4.906 4.640 -0.001 0.000 0.255 945 D C -1.925 174.347 176.300 -0.047 0.000 1.276 945 D CA -1.533 52.445 54.000 -0.036 0.000 0.941 945 D CB 1.905 42.715 40.800 0.017 0.000 1.199 945 D HN 0.122 nan 8.370 nan 0.000 0.537 946 P HA 0.035 nan 4.420 nan 0.000 0.221 946 P C 0.765 177.997 177.300 -0.113 0.000 1.155 946 P CA 0.390 63.400 63.100 -0.150 0.000 0.812 946 P CB 0.414 31.909 31.700 -0.341 0.000 0.801 947 R N -0.066 120.360 120.500 -0.123 0.000 2.555 947 R HA 0.274 4.613 4.340 -0.001 0.000 0.272 947 R C 1.418 177.733 176.300 0.024 0.000 1.089 947 R CA 0.544 56.622 56.100 -0.037 0.000 1.126 947 R CB -1.260 29.001 30.300 -0.065 0.000 1.250 947 R HN 0.200 nan 8.270 nan 0.000 0.551 948 G N 2.047 110.867 108.800 0.032 0.000 2.335 948 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.264 948 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.264 948 G C 1.235 176.163 174.900 0.047 0.000 0.990 948 G CA 0.941 46.065 45.100 0.041 0.000 0.647 948 G HN 0.483 nan 8.290 nan 0.000 0.561 949 I N -1.680 118.918 120.570 0.048 0.000 2.310 949 I HA -0.386 3.783 4.170 -0.001 0.000 0.256 949 I C 2.217 178.278 176.117 -0.094 0.000 1.060 949 I CA 2.449 63.754 61.300 0.009 0.000 1.362 949 I CB -0.479 37.573 38.000 0.086 0.000 1.044 949 I HN 0.444 nan 8.210 nan 0.000 0.443 950 Y N -0.531 119.756 120.300 -0.022 0.000 2.458 950 Y HA 0.253 4.803 4.550 -0.001 0.000 0.254 950 Y C 1.781 177.640 175.900 -0.069 0.000 1.120 950 Y CA 0.606 58.687 58.100 -0.032 0.000 1.282 950 Y CB 1.169 39.611 38.460 -0.031 0.000 1.109 950 Y HN 0.239 nan 8.280 nan 0.000 0.526 951 G N -0.771 108.043 108.800 0.024 0.000 3.290 951 G HA2 0.092 4.052 3.960 -0.001 0.000 0.220 951 G HA3 0.092 4.052 3.960 -0.001 0.000 0.220 951 G C -0.025 174.859 174.900 -0.026 0.000 0.940 951 G CA 0.091 45.169 45.100 -0.035 0.000 0.884 951 G HN 0.275 nan 8.290 nan 0.000 0.649 952 T N -0.657 113.900 114.554 0.005 0.000 2.843 952 T HA 0.398 4.747 4.350 -0.001 0.000 0.324 952 T C -1.095 173.620 174.700 0.026 0.000 1.860 952 T CA 0.077 62.184 62.100 0.012 0.000 1.021 952 T CB 0.160 69.033 68.868 0.008 0.000 1.858 952 T HN 1.612 nan 8.240 nan 0.000 0.521 953 I N 1.625 122.211 120.570 0.027 0.000 2.416 953 I HA 0.738 4.907 4.170 -0.001 0.000 0.288 953 I C -0.096 176.032 176.117 0.019 0.000 1.051 953 I CA 0.022 61.340 61.300 0.030 0.000 1.375 953 I CB 1.211 39.240 38.000 0.048 0.000 1.407 953 I HN 0.460 nan 8.210 nan 0.000 0.516 954 S N 6.208 121.912 115.700 0.007 0.000 2.640 954 S HA 0.554 5.024 4.470 -0.001 0.000 0.320 954 S C 0.181 174.769 174.600 -0.019 0.000 1.097 954 S CA -0.748 57.449 58.200 -0.005 0.000 1.092 954 S CB 0.667 63.863 63.200 -0.006 0.000 0.988 954 S HN 0.873 nan 8.310 nan 0.000 0.470 955 R N 2.645 123.134 120.500 -0.018 0.000 2.549 955 R HA 0.335 4.675 4.340 -0.001 0.000 0.399 955 R C -0.125 176.156 176.300 -0.031 0.000 0.964 955 R CA -0.143 55.943 56.100 -0.023 0.000 1.173 955 R CB 0.863 31.162 30.300 -0.001 0.000 1.535 955 R HN 0.417 nan 8.270 nan 0.000 0.551 956 R N 1.100 121.577 120.500 -0.039 0.000 2.792 956 R HA 0.170 4.509 4.340 -0.001 0.000 0.285 956 R C -1.809 174.437 176.300 -0.089 0.000 1.207 956 R CA -0.423 55.644 56.100 -0.055 0.000 1.091 956 R CB 1.371 31.644 30.300 -0.046 0.000 1.263 956 R HN -0.117 nan 8.270 nan 0.000 0.403 957 K N 1.613 121.931 120.400 -0.136 0.000 2.267 957 K HA 0.350 4.669 4.320 -0.001 0.000 0.246 957 K C -1.291 175.066 176.600 -0.405 0.000 0.954 957 K CA -0.605 55.514 56.287 -0.279 0.000 0.824 957 K CB 1.986 34.271 32.500 -0.358 0.000 1.167 957 K HN 0.463 nan 8.250 nan 0.000 0.431 958 E N 3.833 123.737 120.200 -0.493 0.000 2.235 958 E HA 0.243 4.592 4.350 -0.001 0.000 0.252 958 E C -1.533 174.789 176.600 -0.463 0.000 0.886 958 E CA -0.672 55.513 56.400 -0.357 0.000 0.767 958 E CB 0.564 30.168 29.700 -0.159 0.000 1.205 958 E HN 0.411 nan 8.360 nan 0.000 0.421 959 F N 6.041 125.965 119.950 -0.043 0.000 2.390 959 F HA 0.381 4.907 4.527 -0.001 0.000 0.361 959 F C -2.010 173.782 175.800 -0.013 0.000 1.124 959 F CA -1.908 56.060 58.000 -0.053 0.000 1.149 959 F CB 0.634 39.582 39.000 -0.088 0.000 1.160 959 F HN 0.342 nan 8.300 nan 0.000 0.501 960 P HA 0.225 nan 4.420 nan 0.000 0.321 960 P C -1.341 176.068 177.300 0.182 0.000 1.304 960 P CA -0.782 62.420 63.100 0.169 0.000 0.759 960 P CB 0.792 32.570 31.700 0.130 0.000 1.385 961 Y N -0.076 120.278 120.300 0.089 0.000 2.327 961 Y HA 0.397 4.947 4.550 -0.001 0.000 0.336 961 Y C 1.028 176.966 175.900 0.063 0.000 1.035 961 Y CA 0.197 58.343 58.100 0.077 0.000 1.165 961 Y CB 0.924 39.433 38.460 0.081 0.000 1.181 961 Y HN 0.124 nan 8.280 nan 0.000 0.494 962 R N 5.773 126.289 120.500 0.026 0.000 2.629 962 R HA 0.392 4.731 4.340 -0.001 0.000 0.275 962 R C -1.839 174.486 176.300 0.042 0.000 1.719 962 R CA -0.286 55.852 56.100 0.064 0.000 1.472 962 R CB -0.258 30.072 30.300 0.049 0.000 1.237 962 R HN 0.674 nan 8.270 nan 0.000 0.589 963 I N 4.247 124.881 120.570 0.107 0.000 2.494 963 I HA 0.206 4.375 4.170 -0.001 0.000 0.289 963 I C -1.636 174.528 176.117 0.079 0.000 1.106 963 I CA -1.863 59.495 61.300 0.097 0.000 1.369 963 I CB 0.235 38.328 38.000 0.154 0.000 1.410 963 I HN 0.300 nan 8.210 nan 0.000 0.523 964 P HA 0.063 nan 4.420 nan 0.000 0.268 964 P C 0.601 177.941 177.300 0.065 0.000 1.204 964 P CA -0.186 62.951 63.100 0.062 0.000 0.768 964 P CB 0.603 32.337 31.700 0.056 0.000 0.842 965 L N 1.342 122.602 121.223 0.061 0.000 2.749 965 L HA -0.048 4.291 4.340 -0.001 0.000 0.245 965 L C 0.608 177.514 176.870 0.060 0.000 1.156 965 L CA 0.975 55.850 54.840 0.058 0.000 0.890 965 L CB -0.508 41.582 42.059 0.052 0.000 1.036 965 L HN 0.334 nan 8.230 nan 0.000 0.441 966 D N -0.226 120.213 120.400 0.065 0.000 2.402 966 D HA 0.118 4.757 4.640 -0.001 0.000 0.216 966 D C 0.373 176.725 176.300 0.087 0.000 1.128 966 D CA -0.246 53.799 54.000 0.075 0.000 0.833 966 D CB 0.412 41.257 40.800 0.074 0.000 0.971 966 D HN 0.020 nan 8.370 nan 0.000 0.503 967 L N 1.765 123.037 121.223 0.082 0.000 2.514 967 L HA 0.018 4.358 4.340 -0.001 0.000 0.280 967 L C 0.076 177.000 176.870 0.090 0.000 1.223 967 L CA -0.144 54.751 54.840 0.091 0.000 0.864 967 L CB 0.681 42.791 42.059 0.085 0.000 1.118 967 L HN -0.055 nan 8.230 nan 0.000 0.494 968 V N 4.420 124.396 119.914 0.103 0.000 2.370 968 V HA 0.413 4.532 4.120 -0.001 0.000 0.257 968 V C -2.109 174.010 176.094 0.042 0.000 1.064 968 V CA -1.780 60.567 62.300 0.078 0.000 0.975 968 V CB -0.416 31.463 31.823 0.094 0.000 1.067 968 V HN 0.800 nan 8.190 nan 0.000 0.485 969 P HA 0.023 nan 4.420 nan 0.000 0.269 969 P C 0.501 177.805 177.300 0.007 0.000 1.205 969 P CA 0.210 63.323 63.100 0.021 0.000 0.780 969 P CB 0.157 31.863 31.700 0.011 0.000 0.858 970 K N -2.274 118.133 120.400 0.011 0.000 3.193 970 K HA -0.177 4.142 4.320 -0.001 0.000 0.294 970 K C -0.074 176.524 176.600 -0.004 0.000 1.185 970 K CA 1.421 57.709 56.287 0.001 0.000 0.866 970 K CB -1.963 30.528 32.500 -0.014 0.000 1.227 970 K HN 0.782 nan 8.250 nan 0.000 0.467 971 T N -0.895 113.663 114.554 0.006 0.000 2.770 971 T HA 0.377 4.727 4.350 -0.001 0.000 0.283 971 T C 0.022 174.749 174.700 0.045 0.000 0.988 971 T CA -1.009 61.087 62.100 -0.006 0.000 0.957 971 T CB 1.360 70.197 68.868 -0.051 0.000 0.930 971 T HN 0.181 nan 8.240 nan 0.000 0.443 972 E N 4.024 124.253 120.200 0.048 0.000 2.398 972 E HA 0.239 4.589 4.350 -0.001 0.000 0.263 972 E C -0.006 176.657 176.600 0.105 0.000 1.046 972 E CA -0.665 55.785 56.400 0.084 0.000 0.908 972 E CB 0.708 30.454 29.700 0.076 0.000 0.963 972 E HN 0.682 nan 8.360 nan 0.000 0.431 973 I N 2.141 122.769 120.570 0.097 0.000 2.294 973 I HA 0.102 4.271 4.170 -0.001 0.000 0.295 973 I C 0.405 176.537 176.117 0.026 0.000 1.098 973 I CA -0.404 60.921 61.300 0.042 0.000 1.277 973 I CB -0.199 37.761 38.000 -0.066 0.000 1.434 973 I HN 0.446 nan 8.210 nan 0.000 0.498 974 K N 8.897 129.327 120.400 0.050 0.000 2.183 974 K HA 0.550 4.869 4.320 -0.001 0.000 0.274 974 K C -0.625 175.982 176.600 0.012 0.000 1.009 974 K CA -0.634 55.683 56.287 0.050 0.000 0.888 974 K CB 1.065 33.616 32.500 0.085 0.000 1.078 974 K HN 0.754 nan 8.250 nan 0.000 0.459 975 R N 4.341 124.842 120.500 0.003 0.000 2.651 975 R HA 0.478 4.818 4.340 -0.001 0.000 0.278 975 R C -0.706 175.574 176.300 -0.033 0.000 1.010 975 R CA -0.895 55.183 56.100 -0.035 0.000 0.896 975 R CB 0.732 30.977 30.300 -0.092 0.000 1.211 975 R HN 0.485 nan 8.270 nan 0.000 0.456 976 I N 1.228 121.771 120.570 -0.045 0.000 2.947 976 I HA 0.554 4.723 4.170 -0.001 0.000 0.314 976 I C -0.484 175.495 176.117 -0.230 0.000 1.028 976 I CA -1.478 59.778 61.300 -0.074 0.000 1.077 976 I CB 1.687 39.728 38.000 0.068 0.000 1.274 976 I HN 0.507 nan 8.210 nan 0.000 0.485 977 L N 2.315 123.343 121.223 -0.326 0.000 2.549 977 L HA 0.308 4.648 4.340 -0.001 0.000 0.260 977 L C -0.805 175.844 176.870 -0.368 0.000 1.109 977 L CA 0.235 54.865 54.840 -0.349 0.000 0.900 977 L CB 1.307 43.227 42.059 -0.231 0.000 1.119 977 L HN 0.604 nan 8.230 nan 0.000 0.471 978 S N 3.160 118.550 115.700 -0.517 0.000 2.410 978 S HA 0.691 5.160 4.470 -0.001 0.000 0.304 978 S C -0.575 173.946 174.600 -0.132 0.000 1.095 978 S CA -0.413 57.510 58.200 -0.461 0.000 1.089 978 S CB 0.478 63.176 63.200 -0.836 0.000 0.968 978 S HN 0.348 nan 8.310 nan 0.000 0.480 979 V N 7.235 127.137 119.914 -0.019 0.000 2.350 979 V HA 0.613 4.733 4.120 -0.001 0.000 0.285 979 V C -0.519 175.655 176.094 0.133 0.000 1.014 979 V CA -0.872 61.468 62.300 0.068 0.000 0.831 979 V CB 1.152 33.065 31.823 0.150 0.000 1.000 979 V HN 0.796 nan 8.190 nan 0.000 0.433 980 K N 2.832 123.303 120.400 0.118 0.000 2.501 980 K HA 0.596 4.916 4.320 -0.001 0.000 0.252 980 K C -0.006 176.688 176.600 0.156 0.000 0.934 980 K CA -0.617 55.781 56.287 0.185 0.000 0.797 980 K CB 2.246 34.862 32.500 0.195 0.000 1.270 980 K HN 0.679 nan 8.250 nan 0.000 0.431 981 G N 3.109 112.037 108.800 0.214 0.000 2.380 981 G HA2 0.413 4.373 3.960 -0.001 0.000 0.242 981 G HA3 0.413 4.373 3.960 -0.001 0.000 0.242 981 G C -0.077 174.749 174.900 -0.124 0.000 1.298 981 G CA -0.296 44.789 45.100 -0.025 0.000 0.878 981 G HN 0.559 nan 8.290 nan 0.000 0.542 982 L N 0.528 121.653 121.223 -0.164 0.000 0.588 982 L HA -0.144 4.196 4.340 -0.001 0.000 0.356 982 L C 0.217 177.057 176.870 -0.049 0.000 1.004 982 L CA -0.639 54.119 54.840 -0.137 0.000 1.223 982 L CB -0.461 41.476 42.059 -0.203 0.000 0.083 982 L HN 0.483 nan 8.230 nan 0.000 0.103 983 L N 2.333 123.535 121.223 -0.035 0.000 2.627 983 L HA 0.126 4.465 4.340 -0.001 0.000 0.233 983 L C 1.384 178.267 176.870 0.021 0.000 1.144 983 L CA 1.149 55.973 54.840 -0.026 0.000 0.892 983 L CB -0.221 41.808 42.059 -0.050 0.000 1.039 983 L HN 0.481 nan 8.230 nan 0.000 0.442 984 V N -1.446 118.482 119.914 0.023 0.000 3.172 984 V HA 0.384 4.503 4.120 -0.001 0.000 0.343 984 V C 1.563 177.634 176.094 -0.038 0.000 1.429 984 V CA 0.532 62.837 62.300 0.007 0.000 1.149 984 V CB 0.749 32.611 31.823 0.065 0.000 1.106 984 V HN 0.329 nan 8.190 nan 0.000 0.526 985 G N -0.229 108.597 108.800 0.044 0.000 2.603 985 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.214 985 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.214 985 G C 1.087 176.055 174.900 0.114 0.000 1.140 985 G CA 0.774 45.962 45.100 0.147 0.000 0.800 985 G HN 0.490 nan 8.290 nan 0.000 0.533 986 E N 0.617 120.878 120.200 0.101 0.000 2.122 986 E HA 0.103 4.453 4.350 -0.001 0.000 0.190 986 E C 2.345 178.977 176.600 0.053 0.000 0.977 986 E CA 0.316 56.776 56.400 0.101 0.000 0.820 986 E CB -0.206 29.565 29.700 0.119 0.000 0.770 986 E HN 0.451 nan 8.360 nan 0.000 0.462 987 I N 0.219 120.812 120.570 0.038 0.000 2.614 987 I HA -0.188 3.981 4.170 -0.001 0.000 0.258 987 I C 2.071 178.193 176.117 0.009 0.000 1.189 987 I CA 0.526 61.842 61.300 0.028 0.000 1.462 987 I CB -0.067 37.960 38.000 0.044 0.000 1.092 987 I HN 0.149 nan 8.210 nan 0.000 0.442 988 L N -0.525 120.690 121.223 -0.014 0.000 2.068 988 L HA -0.142 4.197 4.340 -0.001 0.000 0.204 988 L C 2.709 179.579 176.870 0.001 0.000 1.076 988 L CA 1.109 55.930 54.840 -0.032 0.000 0.753 988 L CB -0.316 41.702 42.059 -0.068 0.000 0.910 988 L HN 0.187 nan 8.230 nan 0.000 0.439 989 S N -0.394 115.311 115.700 0.007 0.000 2.368 989 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 989 S C 2.084 176.697 174.600 0.022 0.000 1.030 989 S CA 1.231 59.438 58.200 0.012 0.000 0.999 989 S CB -0.098 63.125 63.200 0.037 0.000 0.844 989 S HN 0.456 nan 8.310 nan 0.000 0.459 990 A N 0.953 123.785 122.820 0.021 0.000 1.852 990 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 990 A C 2.192 179.784 177.584 0.012 0.000 1.215 990 A CA 2.274 54.312 52.037 0.002 0.000 0.641 990 A CB -1.316 17.680 19.000 -0.006 0.000 0.838 990 A HN 0.477 nan 8.150 nan 0.000 0.450 991 V N -0.585 119.348 119.914 0.030 0.000 3.444 991 V HA 0.020 4.139 4.120 -0.001 0.000 0.271 991 V C 0.776 176.904 176.094 0.057 0.000 1.188 991 V CA 1.147 63.475 62.300 0.047 0.000 1.168 991 V CB -0.678 31.190 31.823 0.074 0.000 0.810 991 V HN 0.457 nan 8.190 nan 0.000 0.500 992 L N -1.048 120.205 121.223 0.051 0.000 2.861 992 L HA 0.389 4.728 4.340 -0.001 0.000 0.290 992 L C 0.466 177.354 176.870 0.030 0.000 1.346 992 L CA 0.141 55.017 54.840 0.060 0.000 0.779 992 L CB 0.687 42.824 42.059 0.130 0.000 1.143 992 L HN 0.102 nan 8.230 nan 0.000 0.548 993 S N -1.428 114.280 115.700 0.013 0.000 2.501 993 S HA 0.006 4.476 4.470 -0.001 0.000 0.250 993 S C 0.140 174.738 174.600 -0.004 0.000 0.959 993 S CA -0.396 57.805 58.200 0.002 0.000 1.250 993 S CB 0.689 63.892 63.200 0.005 0.000 0.933 993 S HN 0.561 nan 8.310 nan 0.000 0.420 994 Q N 1.438 121.235 119.800 -0.004 0.000 2.193 994 Q HA 0.769 5.108 4.340 -0.001 0.000 0.246 994 Q C -0.563 175.432 176.000 -0.008 0.000 0.959 994 Q CA -0.600 55.198 55.803 -0.009 0.000 0.904 994 Q CB 1.038 29.768 28.738 -0.013 0.000 1.238 994 Q HN 0.092 nan 8.270 nan 0.000 0.469 995 E N -0.135 120.057 120.200 -0.013 0.000 2.446 995 E HA 0.591 4.941 4.350 -0.001 0.000 0.251 995 E C -0.778 175.814 176.600 -0.014 0.000 1.087 995 E CA -0.053 56.338 56.400 -0.015 0.000 0.937 995 E CB 1.175 30.863 29.700 -0.021 0.000 1.254 995 E HN 0.910 nan 8.360 nan 0.000 0.479 996 G N 1.129 109.919 108.800 -0.017 0.000 3.177 996 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.682 996 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.682 996 G C 0.185 175.078 174.900 -0.012 0.000 1.002 996 G CA 0.112 45.201 45.100 -0.018 0.000 0.910 996 G HN 0.634 nan 8.290 nan 0.000 0.538 997 I N -0.087 120.476 120.570 -0.012 0.000 3.003 997 I HA 0.466 4.635 4.170 -0.001 0.000 0.294 997 I C 0.249 176.362 176.117 -0.006 0.000 1.237 997 I CA 0.425 61.723 61.300 -0.004 0.000 1.417 997 I CB 1.045 39.041 38.000 -0.005 0.000 1.340 997 I HN 0.963 nan 8.210 nan 0.000 0.594 998 N N 4.524 123.221 118.700 -0.005 0.000 2.516 998 N HA 0.359 5.098 4.740 -0.001 0.000 0.268 998 N C -1.204 174.298 175.510 -0.014 0.000 1.096 998 N CA -0.724 52.319 53.050 -0.012 0.000 0.954 998 N CB 1.318 39.791 38.487 -0.023 0.000 1.676 998 N HN 0.583 nan 8.380 nan 0.000 0.490 999 I N 2.947 123.509 120.570 -0.013 0.000 2.692 999 I HA 0.101 4.271 4.170 -0.001 0.000 0.284 999 I C 1.107 177.195 176.117 -0.048 0.000 1.159 999 I CA -0.004 61.288 61.300 -0.013 0.000 1.423 999 I CB 0.410 38.414 38.000 0.006 0.000 1.380 999 I HN 0.704 nan 8.210 nan 0.000 0.580 1000 L N 5.092 126.288 121.223 -0.045 0.000 2.685 1000 L HA 0.111 4.450 4.340 -0.001 0.000 0.233 1000 L C 0.262 177.077 176.870 -0.092 0.000 1.173 1000 L CA 0.254 55.050 54.840 -0.072 0.000 0.961 1000 L CB -0.277 41.754 42.059 -0.046 0.000 1.217 1000 L HN 0.747 nan 8.230 nan 0.000 0.478 1001 T N -4.905 109.587 114.554 -0.103 0.000 2.742 1001 T HA 0.256 4.606 4.350 -0.001 0.000 0.282 1001 T C 0.252 174.857 174.700 -0.158 0.000 1.025 1001 T CA -0.574 61.458 62.100 -0.113 0.000 1.020 1001 T CB 1.266 70.067 68.868 -0.112 0.000 1.317 1001 T HN -0.053 nan 8.240 nan 0.000 0.538 1002 H N -0.606 118.454 119.070 -0.017 0.000 2.539 1002 H HA 0.368 4.923 4.556 -0.001 0.000 0.267 1002 H C 0.399 175.756 175.328 0.049 0.000 0.982 1002 H CA -0.143 55.920 56.048 0.026 0.000 1.146 1002 H CB -0.078 29.713 29.762 0.048 0.000 1.382 1002 H HN 0.100 nan 8.280 nan 0.000 0.577 1003 L N 3.677 124.961 121.223 0.102 0.000 2.578 1003 L HA 0.021 4.360 4.340 -0.001 0.000 0.279 1003 L C -1.655 175.350 176.870 0.224 0.000 1.227 1003 L CA -1.181 53.748 54.840 0.150 0.000 0.900 1003 L CB 0.118 42.182 42.059 0.007 0.000 1.144 1003 L HN 0.102 nan 8.230 nan 0.000 0.496 1004 P HA -0.014 nan 4.420 nan 0.000 0.262 1004 P C 0.009 177.412 177.300 0.172 0.000 1.182 1004 P CA -0.168 63.048 63.100 0.194 0.000 0.761 1004 P CB 0.521 32.333 31.700 0.186 0.000 0.795 1005 K N 2.347 122.816 120.400 0.116 0.000 2.555 1005 K HA -0.024 4.295 4.320 -0.001 0.000 0.193 1005 K C 2.048 178.725 176.600 0.128 0.000 1.032 1005 K CA 0.680 57.033 56.287 0.110 0.000 1.004 1005 K CB -0.798 31.754 32.500 0.087 0.000 0.804 1005 K HN 0.647 nan 8.250 nan 0.000 0.496 1006 G N 1.549 110.424 108.800 0.125 0.000 2.586 1006 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.218 1006 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.218 1006 G C 1.035 176.166 174.900 0.385 0.000 1.216 1006 G CA 0.940 46.156 45.100 0.192 0.000 0.786 1006 G HN 0.409 nan 8.290 nan 0.000 0.583 1007 S N -0.262 115.601 115.700 0.272 0.000 2.658 1007 S HA 0.377 4.847 4.470 -0.001 0.000 0.249 1007 S C 1.858 176.414 174.600 -0.074 0.000 1.363 1007 S CA 0.597 58.824 58.200 0.045 0.000 0.964 1007 S CB 0.723 63.746 63.200 -0.294 0.000 0.973 1007 S HN 0.735 nan 8.310 nan 0.000 0.588 1008 A N 0.230 122.813 122.820 -0.395 0.000 1.861 1008 A HA 0.102 4.421 4.320 -0.001 0.000 0.212 1008 A C 1.971 179.261 177.584 -0.490 0.000 1.199 1008 A CA 1.383 52.889 52.037 -0.885 0.000 0.613 1008 A CB -1.421 17.213 19.000 -0.609 0.000 0.846 1008 A HN 0.995 nan 8.150 nan 0.000 0.446 1009 E N -0.151 119.855 120.200 -0.323 0.000 2.240 1009 E HA -0.369 3.980 4.350 -0.001 0.000 0.236 1009 E C 2.075 178.600 176.600 -0.124 0.000 1.085 1009 E CA 2.108 58.364 56.400 -0.240 0.000 0.979 1009 E CB -0.362 29.286 29.700 -0.087 0.000 0.845 1009 E HN 0.552 nan 8.360 nan 0.000 0.483 1010 A N 0.292 123.087 122.820 -0.043 0.000 1.908 1010 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 1010 A C 2.000 179.573 177.584 -0.019 0.000 1.181 1010 A CA 1.954 54.018 52.037 0.046 0.000 0.627 1010 A CB -0.572 18.493 19.000 0.109 0.000 0.818 1010 A HN 0.346 nan 8.150 nan 0.000 0.445 1011 E N -0.629 119.493 120.200 -0.130 0.000 2.338 1011 E HA -0.002 4.347 4.350 -0.001 0.000 0.197 1011 E C 1.678 178.229 176.600 -0.081 0.000 1.007 1011 E CA 0.473 56.796 56.400 -0.127 0.000 0.849 1011 E CB -0.209 29.328 29.700 -0.272 0.000 0.774 1011 E HN 0.654 nan 8.360 nan 0.000 0.506 1012 L N -0.915 120.272 121.223 -0.061 0.000 2.249 1012 L HA 0.033 4.373 4.340 -0.001 0.000 0.207 1012 L C 1.762 178.690 176.870 0.098 0.000 1.090 1012 L CA 0.291 55.163 54.840 0.053 0.000 0.802 1012 L CB -0.057 42.101 42.059 0.165 0.000 0.947 1012 L HN 0.196 nan 8.230 nan 0.000 0.453 1013 M N -0.279 119.373 119.600 0.087 0.000 2.700 1013 M HA -0.098 4.382 4.480 -0.001 0.000 0.249 1013 M C 2.129 178.462 176.300 0.055 0.000 1.082 1013 M CA 0.905 56.266 55.300 0.101 0.000 1.077 1013 M CB -0.678 31.982 32.600 0.101 0.000 1.477 1013 M HN 0.312 nan 8.290 nan 0.000 0.529 1014 S N -2.285 113.437 115.700 0.037 0.000 2.421 1014 S HA -0.020 4.449 4.470 -0.001 0.000 0.224 1014 S C 1.801 176.413 174.600 0.019 0.000 1.035 1014 S CA 0.697 58.910 58.200 0.020 0.000 0.953 1014 S CB -0.963 62.244 63.200 0.011 0.000 0.810 1014 S HN 0.383 nan 8.310 nan 0.000 0.497 1015 V N 1.601 121.528 119.914 0.021 0.000 2.667 1015 V HA 0.012 4.131 4.120 -0.001 0.000 0.252 1015 V C 2.034 178.146 176.094 0.029 0.000 1.065 1015 V CA 1.322 63.634 62.300 0.021 0.000 1.083 1015 V CB -0.480 31.346 31.823 0.004 0.000 0.692 1015 V HN 0.403 nan 8.190 nan 0.000 0.468 1016 V N 1.002 120.911 119.914 -0.009 0.000 2.220 1016 V HA -0.115 4.005 4.120 -0.001 0.000 0.242 1016 V C 0.414 176.450 176.094 -0.097 0.000 1.041 1016 V CA 2.929 65.159 62.300 -0.116 0.000 0.990 1016 V CB -1.921 29.813 31.823 -0.149 0.000 0.634 1016 V HN 0.476 nan 8.190 nan 0.000 0.452 1017 P HA -0.174 nan 4.420 nan 0.000 0.219 1017 P C 1.588 178.927 177.300 0.066 0.000 1.149 1017 P CA 1.616 64.727 63.100 0.018 0.000 0.835 1017 P CB -0.158 31.556 31.700 0.022 0.000 0.778 1018 V N -1.241 118.724 119.914 0.085 0.000 2.256 1018 V HA -0.198 3.922 4.120 -0.001 0.000 0.240 1018 V C 2.108 178.339 176.094 0.228 0.000 1.036 1018 V CA 1.570 63.959 62.300 0.147 0.000 1.008 1018 V CB -1.603 30.297 31.823 0.129 0.000 0.648 1018 V HN 0.011 nan 8.190 nan 0.000 0.453 1019 F N 1.036 121.044 119.950 0.097 0.000 2.053 1019 F HA -0.352 4.175 4.527 -0.001 0.000 0.295 1019 F C 2.372 178.430 175.800 0.430 0.000 1.102 1019 F CA 2.138 60.266 58.000 0.213 0.000 1.225 1019 F CB -1.027 38.015 39.000 0.069 0.000 0.961 1019 F HN 0.190 nan 8.300 nan 0.000 0.495 1020 Y N 0.484 120.609 120.300 -0.291 0.000 2.114 1020 Y HA -0.197 4.353 4.550 -0.001 0.000 0.282 1020 Y C 2.825 178.700 175.900 -0.042 0.000 1.165 1020 Y CA 1.306 59.211 58.100 -0.325 0.000 1.148 1020 Y CB -1.616 36.791 38.460 -0.088 0.000 0.972 1020 Y HN 0.013 nan 8.280 nan 0.000 0.504 1021 V N -0.645 119.398 119.914 0.214 0.000 2.867 1021 V HA -0.271 3.849 4.120 -0.001 0.000 0.260 1021 V C 2.029 178.238 176.094 0.191 0.000 1.099 1021 V CA 1.560 63.955 62.300 0.159 0.000 1.122 1021 V CB -0.891 31.005 31.823 0.121 0.000 0.708 1021 V HN 0.303 nan 8.190 nan 0.000 0.490 1022 F N -0.219 119.769 119.950 0.064 0.000 2.317 1022 F HA 0.021 4.547 4.527 -0.001 0.000 0.293 1022 F C 2.404 178.087 175.800 -0.195 0.000 1.085 1022 F CA 1.546 59.544 58.000 -0.003 0.000 1.390 1022 F CB -0.392 38.632 39.000 0.041 0.000 1.077 1022 F HN 0.230 nan 8.300 nan 0.000 0.517 1023 H N -0.973 118.035 119.070 -0.102 0.000 2.321 1023 H HA -0.249 4.306 4.556 -0.001 0.000 0.300 1023 H C 2.130 177.376 175.328 -0.136 0.000 1.087 1023 H CA 2.237 58.246 56.048 -0.064 0.000 1.319 1023 H CB -0.821 28.886 29.762 -0.091 0.000 1.379 1023 H HN 0.458 nan 8.280 nan 0.000 0.501 1024 Y N 1.341 121.532 120.300 -0.183 0.000 2.014 1024 Y HA -0.292 4.257 4.550 -0.001 0.000 0.270 1024 Y C 2.891 178.569 175.900 -0.371 0.000 1.145 1024 Y CA 1.959 59.928 58.100 -0.218 0.000 1.106 1024 Y CB -0.610 37.799 38.460 -0.085 0.000 0.968 1024 Y HN 0.098 nan 8.280 nan 0.000 0.484 1025 L N 0.055 121.305 121.223 0.044 0.000 2.089 1025 L HA -0.266 4.073 4.340 -0.001 0.000 0.213 1025 L C 2.400 178.542 176.870 -1.214 0.000 1.079 1025 L CA 1.918 56.419 54.840 -0.564 0.000 0.758 1025 L CB -0.533 40.882 42.059 -1.073 0.000 0.891 1025 L HN 0.413 nan 8.230 nan 0.000 0.433 1026 E N -0.645 118.876 120.200 -1.131 0.000 2.035 1026 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 1026 E C 2.071 178.326 176.600 -0.574 0.000 0.966 1026 E CA 1.605 57.437 56.400 -0.947 0.000 0.823 1026 E CB -0.340 28.743 29.700 -1.028 0.000 0.791 1026 E HN 0.055 nan 8.360 nan 0.000 0.459 1027 T N -0.503 113.759 114.554 -0.486 0.000 2.652 1027 T HA -0.107 4.242 4.350 -0.001 0.000 0.267 1027 T C 1.302 175.735 174.700 -0.444 0.000 1.039 1027 T CA 1.550 63.427 62.100 -0.372 0.000 1.153 1027 T CB -0.769 67.800 68.868 -0.498 0.000 0.863 1027 T HN 0.372 nan 8.240 nan 0.000 0.428 1028 G N 2.327 110.772 108.800 -0.591 0.000 3.375 1028 G HA2 0.057 4.016 3.960 -0.001 0.000 0.247 1028 G HA3 0.057 4.016 3.960 -0.001 0.000 0.247 1028 G C 0.124 174.405 174.900 -1.032 0.000 1.343 1028 G CA -0.178 44.491 45.100 -0.718 0.000 1.368 1028 G HN 0.848 nan 8.290 nan 0.000 0.549 1029 N N -0.063 118.217 118.700 -0.700 0.000 1.417 1029 N HA -0.273 4.466 4.740 -0.001 0.000 0.375 1029 N C 0.179 175.205 175.510 -0.807 0.000 1.210 1029 N CA 0.536 53.203 53.050 -0.638 0.000 0.781 1029 N CB 0.010 38.304 38.487 -0.323 0.000 0.996 1029 N HN 0.334 nan 8.380 nan 0.000 0.535 1030 H N 1.697 120.500 119.070 -0.445 0.000 3.394 1030 H HA 0.039 4.595 4.556 -0.001 0.000 0.256 1030 H C 0.121 175.307 175.328 -0.237 0.000 1.180 1030 H CA -0.441 55.451 56.048 -0.261 0.000 1.064 1030 H CB -0.571 29.123 29.762 -0.113 0.000 1.854 1030 H HN 0.732 nan 8.280 nan 0.000 0.731 1031 W N 2.563 123.858 121.300 -0.008 0.000 2.321 1031 W HA -0.222 4.438 4.660 -0.001 0.000 0.285 1031 W C 2.009 178.482 176.519 -0.078 0.000 1.213 1031 W CA 1.075 58.416 57.345 -0.007 0.000 1.205 1031 W CB 0.032 29.526 29.460 0.057 0.000 1.134 1031 W HN 0.282 nan 8.180 nan 0.000 0.549 1032 N N 1.510 120.297 118.700 0.146 0.000 2.571 1032 N HA -0.123 4.617 4.740 -0.001 0.000 0.189 1032 N C 1.040 176.510 175.510 -0.066 0.000 1.154 1032 N CA 0.997 54.087 53.050 0.066 0.000 0.907 1032 N CB -1.034 37.487 38.487 0.056 0.000 0.977 1032 N HN 0.293 nan 8.380 nan 0.000 0.449 1033 I N -0.592 119.846 120.570 -0.220 0.000 2.335 1033 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 1033 I C 0.158 176.059 176.117 -0.360 0.000 1.129 1033 I CA 0.808 61.913 61.300 -0.325 0.000 1.402 1033 I CB -0.497 37.164 38.000 -0.565 0.000 1.069 1033 I HN -0.096 nan 8.210 nan 0.000 0.424 1034 F N 0.773 120.732 119.950 0.015 0.000 2.396 1034 F HA 0.226 4.752 4.527 -0.001 0.000 0.343 1034 F C 1.680 177.439 175.800 -0.068 0.000 1.104 1034 F CA -0.691 57.318 58.000 0.014 0.000 1.161 1034 F CB 0.036 39.094 39.000 0.096 0.000 1.146 1034 F HN -0.039 nan 8.300 nan 0.000 0.522 1035 H N -0.104 119.111 119.070 0.242 0.000 2.544 1035 H HA 0.036 4.592 4.556 -0.001 0.000 0.269 1035 H C 1.272 176.673 175.328 0.121 0.000 0.970 1035 H CA 0.604 56.738 56.048 0.143 0.000 1.219 1035 H CB 0.231 30.053 29.762 0.099 0.000 1.421 1035 H HN 0.561 nan 8.280 nan 0.000 0.555 1036 S N 0.911 116.765 115.700 0.257 0.000 2.549 1036 S HA -0.029 4.440 4.470 -0.001 0.000 0.260 1036 S C 0.376 175.033 174.600 0.095 0.000 1.217 1036 S CA -0.791 57.483 58.200 0.124 0.000 1.001 1036 S CB 1.105 64.327 63.200 0.036 0.000 1.059 1036 S HN 0.152 nan 8.310 nan 0.000 0.537 1037 D N 0.822 121.240 120.400 0.030 0.000 2.351 1037 D HA 0.366 5.006 4.640 -0.001 0.000 0.251 1037 D C -1.853 174.439 176.300 -0.013 0.000 1.137 1037 D CA -2.128 51.880 54.000 0.015 0.000 0.879 1037 D CB 1.396 42.187 40.800 -0.016 0.000 1.181 1037 D HN 0.165 nan 8.370 nan 0.000 0.448 1038 P HA 0.006 nan 4.420 nan 0.000 0.220 1038 P C 1.474 178.684 177.300 -0.150 0.000 1.154 1038 P CA -0.175 62.967 63.100 0.070 0.000 0.837 1038 P CB 0.377 32.234 31.700 0.262 0.000 0.815 1039 L N -0.426 120.710 121.223 -0.146 0.000 2.131 1039 L HA -0.102 4.237 4.340 -0.001 0.000 0.210 1039 L C 1.912 178.657 176.870 -0.208 0.000 1.092 1039 L CA 1.707 56.417 54.840 -0.217 0.000 0.759 1039 L CB -1.349 40.635 42.059 -0.125 0.000 0.903 1039 L HN -0.088 nan 8.230 nan 0.000 0.435 1040 I N -0.599 119.876 120.570 -0.158 0.000 2.500 1040 I HA -0.161 4.009 4.170 -0.001 0.000 0.252 1040 I C 2.332 178.339 176.117 -0.184 0.000 1.142 1040 I CA 0.967 62.181 61.300 -0.142 0.000 1.451 1040 I CB -0.548 37.389 38.000 -0.107 0.000 1.093 1040 I HN 0.315 nan 8.210 nan 0.000 0.430 1041 E N 0.708 120.758 120.200 -0.250 0.000 2.153 1041 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 1041 E C 2.216 178.664 176.600 -0.254 0.000 0.988 1041 E CA 1.233 57.433 56.400 -0.333 0.000 0.811 1041 E CB -0.126 29.184 29.700 -0.650 0.000 0.746 1041 E HN 0.379 nan 8.360 nan 0.000 0.466 1042 K N -0.187 120.003 120.400 -0.349 0.000 2.001 1042 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 1042 K C 2.003 178.532 176.600 -0.119 0.000 1.048 1042 K CA 1.328 57.396 56.287 -0.365 0.000 0.932 1042 K CB -0.002 32.152 32.500 -0.577 0.000 0.715 1042 K HN 0.002 nan 8.250 nan 0.000 0.437 1043 Q N 1.260 120.980 119.800 -0.133 0.000 2.062 1043 Q HA -0.207 4.132 4.340 -0.001 0.000 0.209 1043 Q C 1.978 177.925 176.000 -0.088 0.000 0.996 1043 Q CA 1.842 57.588 55.803 -0.095 0.000 0.859 1043 Q CB -0.344 28.341 28.738 -0.089 0.000 0.920 1043 Q HN 0.383 nan 8.270 nan 0.000 0.415 1044 K N 0.138 120.485 120.400 -0.088 0.000 2.113 1044 K HA -0.107 4.212 4.320 -0.001 0.000 0.208 1044 K C 2.188 178.759 176.600 -0.048 0.000 1.047 1044 K CA 1.059 57.303 56.287 -0.071 0.000 0.928 1044 K CB -0.179 32.272 32.500 -0.081 0.000 0.716 1044 K HN 0.199 nan 8.250 nan 0.000 0.446 1045 L N 0.548 121.760 121.223 -0.017 0.000 2.179 1045 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 1045 L C 2.199 178.995 176.870 -0.123 0.000 1.096 1045 L CA 0.912 55.763 54.840 0.018 0.000 0.779 1045 L CB -0.454 41.741 42.059 0.226 0.000 0.922 1045 L HN 0.125 nan 8.230 nan 0.000 0.443 1046 K N 0.966 121.248 120.400 -0.197 0.000 1.991 1046 K HA -0.241 4.078 4.320 -0.001 0.000 0.212 1046 K C 2.108 178.620 176.600 -0.147 0.000 1.049 1046 K CA 1.639 57.771 56.287 -0.257 0.000 0.932 1046 K CB -0.165 32.227 32.500 -0.181 0.000 0.717 1046 K HN 0.113 nan 8.250 nan 0.000 0.441 1047 K N 1.573 121.910 120.400 -0.106 0.000 2.001 1047 K HA -0.225 4.095 4.320 -0.001 0.000 0.223 1047 K C 1.957 178.507 176.600 -0.084 0.000 1.055 1047 K CA 1.971 58.204 56.287 -0.090 0.000 0.965 1047 K CB -0.050 32.401 32.500 -0.081 0.000 0.730 1047 K HN -0.007 nan 8.250 nan 0.000 0.449 1048 K N 0.157 120.517 120.400 -0.067 0.000 2.242 1048 K HA -0.228 4.092 4.320 -0.001 0.000 0.206 1048 K C 2.053 178.628 176.600 -0.041 0.000 1.045 1048 K CA 1.307 57.566 56.287 -0.046 0.000 0.930 1048 K CB -0.191 32.299 32.500 -0.017 0.000 0.726 1048 K HN 0.133 nan 8.250 nan 0.000 0.462 1049 L N 1.030 122.221 121.223 -0.053 0.000 2.013 1049 L HA -0.104 4.235 4.340 -0.001 0.000 0.204 1049 L C 2.406 179.245 176.870 -0.051 0.000 1.081 1049 L CA 1.641 56.459 54.840 -0.038 0.000 0.751 1049 L CB -0.609 41.420 42.059 -0.049 0.000 0.901 1049 L HN -0.013 nan 8.230 nan 0.000 0.440 1050 K N -0.093 120.267 120.400 -0.068 0.000 2.034 1050 K HA -0.297 4.022 4.320 -0.001 0.000 0.214 1050 K C 1.978 178.523 176.600 -0.093 0.000 1.051 1050 K CA 2.314 58.557 56.287 -0.072 0.000 0.931 1050 K CB -0.289 32.164 32.500 -0.079 0.000 0.715 1050 K HN 0.582 nan 8.250 nan 0.000 0.446 1051 E N -0.749 119.384 120.200 -0.113 0.000 2.077 1051 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 1051 E C 2.007 178.545 176.600 -0.104 0.000 0.989 1051 E CA 1.429 57.742 56.400 -0.145 0.000 0.800 1051 E CB -0.603 29.005 29.700 -0.153 0.000 0.746 1051 E HN 0.443 nan 8.360 nan 0.000 0.452 1052 G N 0.913 109.673 108.800 -0.067 0.000 2.462 1052 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.220 1052 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.220 1052 G C 1.489 176.371 174.900 -0.031 0.000 1.121 1052 G CA 1.071 46.148 45.100 -0.039 0.000 0.758 1052 G HN 0.203 nan 8.290 nan 0.000 0.559 1053 M N 0.549 120.126 119.600 -0.038 0.000 2.132 1053 M HA 0.172 4.652 4.480 -0.001 0.000 0.263 1053 M C 2.350 178.642 176.300 -0.014 0.000 1.065 1053 M CA 0.988 56.275 55.300 -0.021 0.000 1.122 1053 M CB -0.684 31.899 32.600 -0.028 0.000 1.365 1053 M HN 0.202 nan 8.290 nan 0.000 0.411 1054 L N -1.452 119.742 121.223 -0.050 0.000 2.141 1054 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 1054 L C 2.368 179.236 176.870 -0.003 0.000 1.094 1054 L CA 1.114 55.929 54.840 -0.042 0.000 0.763 1054 L CB -1.108 40.873 42.059 -0.131 0.000 0.908 1054 L HN 0.323 nan 8.230 nan 0.000 0.437 1055 S N 0.244 115.935 115.700 -0.015 0.000 2.461 1055 S HA -0.207 4.263 4.470 -0.001 0.000 0.246 1055 S C 1.767 176.416 174.600 0.083 0.000 1.007 1055 S CA 1.403 59.614 58.200 0.019 0.000 0.976 1055 S CB -0.241 62.961 63.200 0.003 0.000 0.763 1055 S HN 0.525 nan 8.310 nan 0.000 0.508 1056 I N -1.770 118.844 120.570 0.074 0.000 3.526 1056 I HA 0.116 4.285 4.170 -0.001 0.000 0.294 1056 I C 1.812 178.034 176.117 0.176 0.000 1.229 1056 I CA 0.595 61.961 61.300 0.111 0.000 1.408 1056 I CB -0.416 37.604 38.000 0.033 0.000 1.127 1056 I HN 0.235 nan 8.210 nan 0.000 0.439 1057 M N 1.900 121.542 119.600 0.069 0.000 2.168 1057 M HA -0.304 4.175 4.480 -0.001 0.000 0.248 1057 M C 2.217 178.497 176.300 -0.034 0.000 1.086 1057 M CA 2.415 57.705 55.300 -0.016 0.000 1.070 1057 M CB -0.930 31.678 32.600 0.014 0.000 1.332 1057 M HN 0.323 nan 8.290 nan 0.000 0.399 1058 S N -1.224 114.503 115.700 0.044 0.000 2.407 1058 S HA -0.192 4.277 4.470 -0.001 0.000 0.235 1058 S C 1.472 175.960 174.600 -0.186 0.000 1.036 1058 S CA 1.510 59.657 58.200 -0.088 0.000 1.013 1058 S CB -0.647 62.472 63.200 -0.135 0.000 0.820 1058 S HN 0.592 nan 8.310 nan 0.000 0.476 1059 Y N 0.666 120.883 120.300 -0.139 0.000 2.482 1059 Y HA 0.260 4.809 4.550 -0.001 0.000 0.270 1059 Y C 1.173 176.921 175.900 -0.254 0.000 1.152 1059 Y CA -0.408 57.605 58.100 -0.145 0.000 1.292 1059 Y CB -0.123 38.280 38.460 -0.094 0.000 1.070 1059 Y HN 0.060 nan 8.280 nan 0.000 0.528 1060 R N 2.054 122.405 120.500 -0.248 0.000 2.288 1060 R HA 0.074 4.413 4.340 -0.001 0.000 0.330 1060 R C -0.192 175.871 176.300 -0.396 0.000 1.069 1060 R CA -0.105 55.655 56.100 -0.566 0.000 0.941 1060 R CB 0.089 29.939 30.300 -0.751 0.000 0.998 1060 R HN 0.166 nan 8.270 nan 0.000 0.452 1061 N N 2.107 120.595 118.700 -0.353 0.000 2.292 1061 N HA 0.061 4.801 4.740 -0.001 0.000 0.278 1061 N C 0.879 176.174 175.510 -0.359 0.000 1.289 1061 N CA 0.692 53.561 53.050 -0.302 0.000 0.934 1061 N CB 0.217 38.545 38.487 -0.264 0.000 1.069 1061 N HN 0.677 nan 8.380 nan 0.000 0.513 1062 A N -0.014 122.615 122.820 -0.318 0.000 1.843 1062 A HA -0.089 4.230 4.320 -0.001 0.000 0.213 1062 A C 1.125 178.437 177.584 -0.454 0.000 1.202 1062 A CA 1.665 53.495 52.037 -0.345 0.000 0.607 1062 A CB -0.859 18.010 19.000 -0.218 0.000 0.847 1062 A HN 0.800 nan 8.150 nan 0.000 0.445 1063 D N -3.093 117.125 120.400 -0.302 0.000 2.358 1063 D HA 0.004 4.643 4.640 -0.001 0.000 0.241 1063 D C 0.037 176.323 176.300 -0.024 0.000 1.094 1063 D CA 0.357 54.269 54.000 -0.146 0.000 0.907 1063 D CB -0.575 40.159 40.800 -0.110 0.000 0.893 1063 D HN 0.551 nan 8.370 nan 0.000 0.528 1064 Y N -1.233 118.957 120.300 -0.182 0.000 4.928 1064 Y HA -0.300 4.249 4.550 -0.001 0.000 0.272 1064 Y C 0.641 176.495 175.900 -0.077 0.000 0.889 1064 Y CA 0.503 58.550 58.100 -0.089 0.000 1.783 1064 Y CB -2.406 36.060 38.460 0.009 0.000 1.218 1064 Y HN 0.247 nan 8.280 nan 0.000 0.500 1065 S N 0.690 116.180 115.700 -0.350 0.000 2.549 1065 S HA 0.485 4.954 4.470 -0.001 0.000 0.279 1065 S C -0.038 174.450 174.600 -0.187 0.000 1.321 1065 S CA -0.635 57.181 58.200 -0.640 0.000 1.054 1065 S CB 0.811 62.872 63.200 -1.897 0.000 0.899 1065 S HN 0.167 nan 8.310 nan 0.000 0.497 1066 Y N 1.720 121.856 120.300 -0.274 0.000 2.282 1066 Y HA 0.675 5.225 4.550 -0.001 0.000 0.335 1066 Y C 1.179 176.991 175.900 -0.147 0.000 1.335 1066 Y CA -1.072 56.946 58.100 -0.137 0.000 1.529 1066 Y CB 0.700 39.133 38.460 -0.044 0.000 1.429 1066 Y HN 0.873 nan 8.280 nan 0.000 0.563 1067 S N -1.106 114.624 115.700 0.051 0.000 2.537 1067 S HA 0.348 4.817 4.470 -0.001 0.000 0.271 1067 S C 0.112 174.662 174.600 -0.084 0.000 1.148 1067 S CA -0.346 57.831 58.200 -0.037 0.000 0.868 1067 S CB 1.017 64.180 63.200 -0.061 0.000 1.115 1067 S HN 0.626 nan 8.310 nan 0.000 0.461 1068 V N 4.132 123.844 119.914 -0.337 0.000 2.235 1068 V HA -0.008 4.111 4.120 -0.001 0.000 0.244 1068 V C 0.173 175.934 176.094 -0.555 0.000 1.036 1068 V CA 1.625 63.462 62.300 -0.772 0.000 1.001 1068 V CB -0.344 30.554 31.823 -1.541 0.000 0.643 1068 V HN 0.754 nan 8.190 nan 0.000 0.463 1069 W N -0.266 121.019 121.300 -0.024 0.000 2.570 1069 W HA 0.487 5.146 4.660 -0.001 0.000 0.337 1069 W C 0.144 176.643 176.519 -0.034 0.000 1.067 1069 W CA -1.201 56.186 57.345 0.070 0.000 1.229 1069 W CB 0.501 29.967 29.460 0.010 0.000 1.355 1069 W HN 0.154 nan 8.180 nan 0.000 0.555 1070 K N 0.712 121.123 120.400 0.019 0.000 2.513 1070 K HA -0.042 4.278 4.320 -0.001 0.000 0.275 1070 K C 1.179 177.748 176.600 -0.052 0.000 1.025 1070 K CA 1.869 58.027 56.287 -0.215 0.000 1.125 1070 K CB -0.018 32.291 32.500 -0.319 0.000 0.843 1070 K HN 0.872 nan 8.250 nan 0.000 0.486 1071 G N 2.603 111.354 108.800 -0.080 0.000 2.353 1071 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.258 1071 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.258 1071 G C 0.640 175.544 174.900 0.006 0.000 1.013 1071 G CA 0.406 45.480 45.100 -0.044 0.000 0.622 1071 G HN 0.949 nan 8.290 nan 0.000 0.535 1072 G N 0.632 109.469 108.800 0.061 0.000 2.583 1072 G HA2 0.434 4.394 3.960 -0.001 0.000 0.230 1072 G HA3 0.434 4.394 3.960 -0.001 0.000 0.230 1072 G C 0.767 175.696 174.900 0.048 0.000 1.249 1072 G CA 1.043 46.208 45.100 0.109 0.000 0.857 1072 G HN 1.836 nan 8.290 nan 0.000 0.569 1073 S N 0.651 116.394 115.700 0.071 0.000 2.575 1073 S HA 0.351 4.821 4.470 -0.001 0.000 0.295 1073 S C 0.808 175.430 174.600 0.038 0.000 1.267 1073 S CA -0.200 58.039 58.200 0.064 0.000 1.074 1073 S CB 0.767 64.023 63.200 0.094 0.000 0.829 1073 S HN 1.639 nan 8.310 nan 0.000 0.497 1074 A N 4.082 126.916 122.820 0.023 0.000 2.573 1074 A HA 0.373 4.692 4.320 -0.001 0.000 0.250 1074 A C 0.934 178.568 177.584 0.083 0.000 1.049 1074 A CA 0.000 52.026 52.037 -0.019 0.000 0.767 1074 A CB -0.636 18.261 19.000 -0.173 0.000 0.965 1074 A HN 1.412 nan 8.150 nan 0.000 0.514 1075 S N 2.481 118.201 115.700 0.034 0.000 2.489 1075 S HA 0.295 4.764 4.470 -0.001 0.000 0.277 1075 S C 0.949 175.665 174.600 0.193 0.000 1.230 1075 S CA 0.142 58.382 58.200 0.068 0.000 1.053 1075 S CB 1.387 64.548 63.200 -0.065 0.000 0.955 1075 S HN 0.735 nan 8.310 nan 0.000 0.488 1076 T N 2.056 116.682 114.554 0.121 0.000 2.821 1076 T HA -0.100 4.249 4.350 -0.001 0.000 0.267 1076 T C 1.204 176.003 174.700 0.164 0.000 1.046 1076 T CA 1.475 63.609 62.100 0.056 0.000 1.139 1076 T CB -0.503 68.171 68.868 -0.324 0.000 0.871 1076 T HN 0.799 nan 8.240 nan 0.000 0.454 1077 W N 1.187 122.479 121.300 -0.014 0.000 2.304 1077 W HA -0.162 4.497 4.660 -0.001 0.000 0.328 1077 W C 2.066 178.502 176.519 -0.139 0.000 1.242 1077 W CA 1.580 58.879 57.345 -0.078 0.000 1.243 1077 W CB -0.759 28.700 29.460 -0.001 0.000 1.170 1077 W HN 0.241 nan 8.180 nan 0.000 0.460 1078 L N 0.179 121.612 121.223 0.350 0.000 2.083 1078 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 1078 L C 2.375 179.271 176.870 0.043 0.000 1.083 1078 L CA 2.138 57.065 54.840 0.145 0.000 0.752 1078 L CB -0.910 41.231 42.059 0.137 0.000 0.899 1078 L HN -0.009 nan 8.230 nan 0.000 0.433 1079 T N -0.229 114.385 114.554 0.100 0.000 2.778 1079 T HA -0.245 4.104 4.350 -0.001 0.000 0.269 1079 T C 1.710 176.382 174.700 -0.048 0.000 1.050 1079 T CA 1.419 63.571 62.100 0.085 0.000 1.137 1079 T CB -0.247 68.843 68.868 0.370 0.000 0.860 1079 T HN 0.596 nan 8.240 nan 0.000 0.468 1080 A N 0.340 123.139 122.820 -0.035 0.000 1.887 1080 A HA 0.204 4.524 4.320 -0.001 0.000 0.212 1080 A C 1.952 179.483 177.584 -0.089 0.000 1.198 1080 A CA 0.573 52.571 52.037 -0.065 0.000 0.628 1080 A CB -0.915 18.067 19.000 -0.031 0.000 0.847 1080 A HN 0.489 nan 8.150 nan 0.000 0.449 1081 F N 1.284 121.040 119.950 -0.323 0.000 2.192 1081 F HA -0.225 4.301 4.527 -0.001 0.000 0.301 1081 F C 2.391 178.108 175.800 -0.138 0.000 1.079 1081 F CA 1.368 59.231 58.000 -0.228 0.000 1.303 1081 F CB -0.019 38.705 39.000 -0.460 0.000 1.024 1081 F HN 0.267 nan 8.300 nan 0.000 0.494 1082 A N 0.512 123.387 122.820 0.091 0.000 1.873 1082 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 1082 A C 2.186 179.647 177.584 -0.205 0.000 1.186 1082 A CA 1.512 53.522 52.037 -0.046 0.000 0.616 1082 A CB -1.114 17.774 19.000 -0.187 0.000 0.823 1082 A HN 0.464 nan 8.150 nan 0.000 0.442 1083 L N -0.710 120.358 121.223 -0.257 0.000 1.963 1083 L HA -0.323 4.016 4.340 -0.001 0.000 0.220 1083 L C 2.720 179.488 176.870 -0.171 0.000 1.076 1083 L CA 2.321 57.035 54.840 -0.210 0.000 0.772 1083 L CB -0.536 41.444 42.059 -0.131 0.000 0.892 1083 L HN 0.590 nan 8.230 nan 0.000 0.435 1084 R N -0.007 120.392 120.500 -0.168 0.000 2.223 1084 R HA -0.238 4.102 4.340 -0.001 0.000 0.229 1084 R C 1.733 177.886 176.300 -0.244 0.000 1.105 1084 R CA 2.917 58.896 56.100 -0.202 0.000 0.880 1084 R CB -0.782 29.360 30.300 -0.264 0.000 0.853 1084 R HN 0.235 nan 8.270 nan 0.000 0.429 1085 V N 1.545 121.272 119.914 -0.312 0.000 3.444 1085 V HA -0.089 4.031 4.120 -0.001 0.000 0.271 1085 V C 2.056 178.002 176.094 -0.247 0.000 1.188 1085 V CA 0.597 62.723 62.300 -0.290 0.000 1.168 1085 V CB -0.263 31.416 31.823 -0.239 0.000 0.810 1085 V HN 0.350 nan 8.190 nan 0.000 0.500 1086 L N 1.098 122.205 121.223 -0.194 0.000 2.102 1086 L HA 0.151 4.491 4.340 -0.001 0.000 0.202 1086 L C 2.497 179.265 176.870 -0.169 0.000 1.076 1086 L CA 2.193 56.943 54.840 -0.150 0.000 0.761 1086 L CB -1.421 40.565 42.059 -0.122 0.000 0.921 1086 L HN 0.446 nan 8.230 nan 0.000 0.444 1087 G N -1.256 107.446 108.800 -0.163 0.000 2.484 1087 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 1087 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 1087 G C 1.444 176.235 174.900 -0.182 0.000 1.130 1087 G CA 0.026 45.044 45.100 -0.138 0.000 0.784 1087 G HN 0.409 nan 8.290 nan 0.000 0.543 1088 Q N -0.089 119.539 119.800 -0.286 0.000 2.049 1088 Q HA -0.019 4.320 4.340 -0.001 0.000 0.198 1088 Q C 2.562 178.096 176.000 -0.776 0.000 0.971 1088 Q CA 1.182 56.714 55.803 -0.452 0.000 0.833 1088 Q CB -0.119 28.280 28.738 -0.565 0.000 0.896 1088 Q HN 0.395 nan 8.270 nan 0.000 0.434 1089 V N 2.165 121.626 119.914 -0.755 0.000 3.510 1089 V HA -0.117 4.002 4.120 -0.001 0.000 0.270 1089 V C 1.769 177.766 176.094 -0.162 0.000 1.201 1089 V CA 0.840 62.865 62.300 -0.459 0.000 1.166 1089 V CB -0.654 30.983 31.823 -0.310 0.000 0.825 1089 V HN 0.387 nan 8.190 nan 0.000 0.484 1090 N N 1.040 119.634 118.700 -0.177 0.000 2.453 1090 N HA -0.134 4.605 4.740 -0.001 0.000 0.183 1090 N C 1.745 177.197 175.510 -0.098 0.000 1.041 1090 N CA 0.933 53.923 53.050 -0.100 0.000 0.900 1090 N CB 0.037 38.468 38.487 -0.094 0.000 0.961 1090 N HN 0.476 nan 8.380 nan 0.000 0.443 1091 K N -0.552 119.739 120.400 -0.182 0.000 2.057 1091 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 1091 K C 0.696 177.097 176.600 -0.332 0.000 1.049 1091 K CA 1.392 57.451 56.287 -0.379 0.000 0.931 1091 K CB -0.041 32.006 32.500 -0.754 0.000 0.714 1091 K HN 0.365 nan 8.250 nan 0.000 0.440 1092 Y N -1.559 118.895 120.300 0.257 0.000 2.471 1092 Y HA 0.214 4.763 4.550 -0.001 0.000 0.249 1092 Y C -0.009 175.950 175.900 0.097 0.000 1.116 1092 Y CA -0.441 57.819 58.100 0.267 0.000 1.240 1092 Y CB 1.157 39.909 38.460 0.486 0.000 1.251 1092 Y HN -0.327 nan 8.280 nan 0.000 0.527 1093 V N 1.625 121.629 119.914 0.150 0.000 2.443 1093 V HA 0.119 4.238 4.120 -0.001 0.000 0.272 1093 V C -0.269 175.841 176.094 0.027 0.000 1.002 1093 V CA -1.355 60.983 62.300 0.063 0.000 0.840 1093 V CB 1.347 33.184 31.823 0.023 0.000 1.042 1093 V HN 0.205 nan 8.190 nan 0.000 0.446 1094 E N 4.087 124.306 120.200 0.031 0.000 2.568 1094 E HA 0.006 4.356 4.350 -0.001 0.000 0.262 1094 E C -0.379 176.222 176.600 0.001 0.000 0.961 1094 E CA 0.201 56.608 56.400 0.012 0.000 0.945 1094 E CB 0.628 30.339 29.700 0.017 0.000 0.924 1094 E HN 0.526 nan 8.360 nan 0.000 0.467 1095 Q N 2.846 122.639 119.800 -0.011 0.000 2.215 1095 Q HA 0.176 4.515 4.340 -0.001 0.000 0.256 1095 Q C -0.611 175.388 176.000 -0.002 0.000 0.972 1095 Q CA -0.811 54.989 55.803 -0.006 0.000 0.889 1095 Q CB 1.081 29.808 28.738 -0.017 0.000 1.281 1095 Q HN 0.645 nan 8.270 nan 0.000 0.456 1096 N N 1.068 119.776 118.700 0.014 0.000 2.429 1096 N HA -0.106 4.633 4.740 -0.001 0.000 0.271 1096 N C 0.956 176.461 175.510 -0.009 0.000 1.272 1096 N CA 0.204 53.263 53.050 0.015 0.000 0.921 1096 N CB 0.634 39.146 38.487 0.042 0.000 1.128 1096 N HN 0.479 nan 8.380 nan 0.000 0.481 1097 Q N 3.487 123.273 119.800 -0.024 0.000 1.715 1097 Q HA -0.352 3.988 4.340 -0.001 0.000 0.372 1097 Q C 1.516 177.471 176.000 -0.075 0.000 0.998 1097 Q CA 1.816 57.589 55.803 -0.050 0.000 0.894 1097 Q CB -0.316 28.392 28.738 -0.050 0.000 0.947 1097 Q HN 0.805 nan 8.270 nan 0.000 0.407 1098 N N -0.218 118.429 118.700 -0.087 0.000 2.314 1098 N HA -0.235 4.504 4.740 -0.001 0.000 0.191 1098 N C 1.691 177.045 175.510 -0.260 0.000 1.007 1098 N CA 1.349 54.309 53.050 -0.150 0.000 0.883 1098 N CB -0.154 38.253 38.487 -0.133 0.000 0.969 1098 N HN 0.322 nan 8.380 nan 0.000 0.441 1099 S N 0.657 116.257 115.700 -0.167 0.000 2.349 1099 S HA -0.084 4.385 4.470 -0.001 0.000 0.216 1099 S C 2.098 176.641 174.600 -0.095 0.000 1.033 1099 S CA 0.751 58.869 58.200 -0.136 0.000 1.021 1099 S CB -0.303 62.948 63.200 0.085 0.000 0.968 1099 S HN 0.265 nan 8.310 nan 0.000 0.426 1100 I N 1.775 122.326 120.570 -0.032 0.000 2.145 1100 I HA -0.234 3.935 4.170 -0.001 0.000 0.244 1100 I C 2.755 178.836 176.117 -0.059 0.000 1.075 1100 I CA 1.133 62.414 61.300 -0.031 0.000 1.332 1100 I CB -1.800 36.169 38.000 -0.052 0.000 1.033 1100 I HN 0.481 nan 8.210 nan 0.000 0.410 1101 c N 1.097 119.636 118.600 -0.101 0.000 2.336 1101 c HA -0.260 4.309 4.570 -0.001 0.000 0.278 1101 c C 2.670 176.716 174.090 -0.073 0.000 1.172 1101 c CA 1.463 57.731 56.329 -0.102 0.000 1.779 1101 c CB -1.467 40.968 42.510 -0.125 0.000 1.986 1101 c HN 0.567 nan 8.230 nan 0.000 0.430 1102 N N 0.737 119.345 118.700 -0.154 0.000 2.149 1102 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 1102 N C 1.812 177.381 175.510 0.098 0.000 1.019 1102 N CA 1.566 54.566 53.050 -0.083 0.000 0.857 1102 N CB -0.549 37.736 38.487 -0.336 0.000 0.997 1102 N HN 0.512 nan 8.380 nan 0.000 0.426 1103 S N 1.084 116.838 115.700 0.092 0.000 2.399 1103 S HA -0.009 4.461 4.470 -0.001 0.000 0.231 1103 S C 2.111 176.820 174.600 0.181 0.000 1.022 1103 S CA 0.635 58.944 58.200 0.182 0.000 0.983 1103 S CB -0.074 63.198 63.200 0.121 0.000 0.803 1103 S HN 0.245 nan 8.310 nan 0.000 0.480 1104 L N 0.651 121.939 121.223 0.108 0.000 1.993 1104 L HA 0.017 4.356 4.340 -0.001 0.000 0.206 1104 L C 1.950 178.915 176.870 0.159 0.000 1.074 1104 L CA 0.955 55.865 54.840 0.117 0.000 0.746 1104 L CB -0.558 41.536 42.059 0.059 0.000 0.896 1104 L HN 0.222 nan 8.230 nan 0.000 0.435 1105 L N -1.046 120.252 121.223 0.125 0.000 2.661 1105 L HA -0.244 4.096 4.340 -0.001 0.000 0.236 1105 L C 2.022 179.009 176.870 0.196 0.000 1.176 1105 L CA 0.839 55.752 54.840 0.121 0.000 0.836 1105 L CB -0.421 41.684 42.059 0.078 0.000 0.960 1105 L HN 0.437 nan 8.230 nan 0.000 0.455 1106 W N 0.245 121.589 121.300 0.073 0.000 2.519 1106 W HA -0.054 4.606 4.660 -0.001 0.000 0.313 1106 W C 2.003 178.595 176.519 0.121 0.000 1.156 1106 W CA 0.879 58.289 57.345 0.108 0.000 1.394 1106 W CB -0.400 29.139 29.460 0.131 0.000 1.154 1106 W HN -0.074 nan 8.180 nan 0.000 0.498 1107 L N 0.669 121.849 121.223 -0.071 0.000 1.971 1107 L HA -0.256 4.083 4.340 -0.001 0.000 0.215 1107 L C 2.593 179.231 176.870 -0.387 0.000 1.072 1107 L CA 2.278 56.909 54.840 -0.348 0.000 0.758 1107 L CB -2.179 39.867 42.059 -0.021 0.000 0.889 1107 L HN 0.079 nan 8.230 nan 0.000 0.433 1108 V N 0.062 119.880 119.914 -0.161 0.000 2.231 1108 V HA -0.374 3.745 4.120 -0.001 0.000 0.250 1108 V C 2.380 178.359 176.094 -0.190 0.000 1.058 1108 V CA 2.488 64.708 62.300 -0.134 0.000 1.022 1108 V CB -0.418 31.432 31.823 0.044 0.000 0.640 1108 V HN 0.635 nan 8.190 nan 0.000 0.445 1109 E N -0.300 119.826 120.200 -0.123 0.000 2.268 1109 E HA -0.170 4.179 4.350 -0.001 0.000 0.195 1109 E C 1.752 178.227 176.600 -0.208 0.000 0.995 1109 E CA 1.691 58.023 56.400 -0.113 0.000 0.836 1109 E CB -0.160 29.522 29.700 -0.031 0.000 0.763 1109 E HN 0.821 nan 8.360 nan 0.000 0.491 1110 N N -1.157 117.343 118.700 -0.334 0.000 2.503 1110 N HA 0.037 4.777 4.740 -0.001 0.000 0.210 1110 N C 0.264 175.292 175.510 -0.804 0.000 1.077 1110 N CA 0.134 52.862 53.050 -0.538 0.000 0.855 1110 N CB 0.471 38.606 38.487 -0.588 0.000 1.323 1110 N HN 0.018 nan 8.380 nan 0.000 0.452 1111 Y N 0.895 120.826 120.300 -0.615 0.000 2.751 1111 Y HA 0.341 4.891 4.550 -0.001 0.000 0.289 1111 Y C -0.236 175.187 175.900 -0.795 0.000 1.110 1111 Y CA -0.425 57.307 58.100 -0.612 0.000 1.251 1111 Y CB 0.501 38.571 38.460 -0.650 0.000 1.178 1111 Y HN -0.030 nan 8.280 nan 0.000 0.540 1112 Q N 1.701 121.113 119.800 -0.646 0.000 2.413 1112 Q HA 0.379 4.718 4.340 -0.001 0.000 0.258 1112 Q C -0.782 175.095 176.000 -0.205 0.000 1.037 1112 Q CA -0.462 54.989 55.803 -0.585 0.000 0.764 1112 Q CB 0.789 29.195 28.738 -0.555 0.000 1.217 1112 Q HN 0.433 nan 8.270 nan 0.000 0.490 1113 L N 1.887 123.045 121.223 -0.108 0.000 2.473 1113 L HA -0.057 4.282 4.340 -0.001 0.000 0.280 1113 L C 0.793 177.656 176.870 -0.012 0.000 1.266 1113 L CA 0.191 55.000 54.840 -0.053 0.000 0.824 1113 L CB 0.325 42.374 42.059 -0.017 0.000 1.091 1113 L HN 0.661 nan 8.230 nan 0.000 0.534 1114 D N 1.258 121.659 120.400 0.002 0.000 2.826 1114 D HA -0.006 4.634 4.640 -0.001 0.000 0.247 1114 D C 0.466 176.802 176.300 0.061 0.000 1.238 1114 D CA 0.551 54.564 54.000 0.022 0.000 0.894 1114 D CB -0.502 40.306 40.800 0.013 0.000 1.100 1114 D HN 0.646 nan 8.370 nan 0.000 0.453 1115 N N -2.860 115.895 118.700 0.091 0.000 2.093 1115 N HA 0.071 4.811 4.740 -0.001 0.000 0.226 1115 N C 1.105 176.740 175.510 0.208 0.000 1.388 1115 N CA 0.038 53.186 53.050 0.163 0.000 0.752 1115 N CB 0.486 39.104 38.487 0.219 0.000 1.240 1115 N HN 0.004 nan 8.380 nan 0.000 0.529 1116 G N 1.114 109.992 108.800 0.130 0.000 2.234 1116 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.260 1116 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.260 1116 G C 0.233 175.179 174.900 0.076 0.000 0.987 1116 G CA 0.609 45.792 45.100 0.138 0.000 0.625 1116 G HN 0.941 nan 8.290 nan 0.000 0.532 1117 S N -0.314 115.294 115.700 -0.155 0.000 2.624 1117 S HA 0.710 5.179 4.470 -0.001 0.000 0.263 1117 S C -0.344 174.346 174.600 0.150 0.000 1.287 1117 S CA -0.342 57.590 58.200 -0.446 0.000 0.990 1117 S CB 1.126 63.672 63.200 -1.089 0.000 0.950 1117 S HN 0.556 nan 8.310 nan 0.000 0.561 1118 F N 1.431 121.224 119.950 -0.261 0.000 2.403 1118 F HA 0.413 4.940 4.527 -0.001 0.000 0.355 1118 F C 0.285 176.070 175.800 -0.025 0.000 1.119 1118 F CA -1.422 56.515 58.000 -0.104 0.000 1.007 1118 F CB 1.589 40.542 39.000 -0.078 0.000 1.194 1118 F HN 0.719 nan 8.300 nan 0.000 0.443 1119 K N 1.222 121.665 120.400 0.072 0.000 2.322 1119 K HA 0.389 4.708 4.320 -0.001 0.000 0.283 1119 K C -0.266 176.438 176.600 0.174 0.000 1.042 1119 K CA -0.595 55.760 56.287 0.113 0.000 0.958 1119 K CB 1.333 33.876 32.500 0.071 0.000 0.984 1119 K HN 0.378 nan 8.250 nan 0.000 0.473 1120 E N 2.539 122.835 120.200 0.161 0.000 2.289 1120 E HA 0.007 4.356 4.350 -0.001 0.000 0.278 1120 E C 0.153 176.841 176.600 0.147 0.000 1.032 1120 E CA -0.188 56.296 56.400 0.139 0.000 0.854 1120 E CB 1.073 30.877 29.700 0.174 0.000 1.046 1120 E HN 0.765 nan 8.360 nan 0.000 0.409 1121 N N 2.777 121.531 118.700 0.090 0.000 2.081 1121 N HA -0.109 4.630 4.740 -0.001 0.000 0.191 1121 N C -0.022 175.584 175.510 0.159 0.000 1.053 1121 N CA 1.350 54.519 53.050 0.199 0.000 0.846 1121 N CB -0.286 38.283 38.487 0.137 0.000 1.032 1121 N HN 0.544 nan 8.380 nan 0.000 0.431 1122 S N -0.270 115.506 115.700 0.125 0.000 2.592 1122 S HA -0.048 4.421 4.470 -0.001 0.000 0.256 1122 S C 0.803 175.478 174.600 0.125 0.000 1.369 1122 S CA -0.130 58.141 58.200 0.120 0.000 0.984 1122 S CB 0.134 63.387 63.200 0.089 0.000 0.919 1122 S HN 0.440 nan 8.310 nan 0.000 0.576 1123 Q N -1.057 118.821 119.800 0.130 0.000 2.444 1123 Q HA 0.073 4.412 4.340 -0.001 0.000 0.206 1123 Q C -0.652 175.417 176.000 0.115 0.000 0.948 1123 Q CA -0.040 55.830 55.803 0.112 0.000 0.946 1123 Q CB -0.188 28.611 28.738 0.103 0.000 1.027 1123 Q HN 0.710 nan 8.270 nan 0.000 0.513 1124 Y N 3.274 123.553 120.300 -0.035 0.000 2.802 1124 Y HA -0.138 4.411 4.550 -0.001 0.000 0.333 1124 Y C -0.010 175.804 175.900 -0.143 0.000 1.244 1124 Y CA 0.326 58.350 58.100 -0.127 0.000 1.558 1124 Y CB 0.323 38.614 38.460 -0.283 0.000 1.233 1124 Y HN 0.027 nan 8.280 nan 0.000 0.547 1125 Q N 8.966 128.441 119.800 -0.541 0.000 2.398 1125 Q HA 0.216 4.555 4.340 -0.001 0.000 0.251 1125 Q C -2.105 173.390 176.000 -0.842 0.000 0.999 1125 Q CA -1.886 53.620 55.803 -0.495 0.000 0.874 1125 Q CB 1.543 30.127 28.738 -0.257 0.000 1.215 1125 Q HN 0.515 nan 8.270 nan 0.000 0.470 1126 P HA -0.004 nan 4.420 nan 0.000 0.216 1126 P C 0.085 177.382 177.300 -0.004 0.000 1.154 1126 P CA 0.602 63.336 63.100 -0.610 0.000 0.857 1126 P CB 0.317 31.522 31.700 -0.825 0.000 0.787 1127 I N -3.359 117.112 120.570 -0.165 0.000 2.646 1127 I HA 0.589 4.758 4.170 -0.001 0.000 0.299 1127 I C -0.227 175.772 176.117 -0.196 0.000 1.036 1127 I CA -2.327 58.877 61.300 -0.160 0.000 1.074 1127 I CB 1.033 38.847 38.000 -0.311 0.000 1.258 1127 I HN -0.366 nan 8.210 nan 0.000 0.430 1128 K N 5.303 125.596 120.400 -0.179 0.000 2.273 1128 K HA 0.506 4.825 4.320 -0.001 0.000 0.287 1128 K C -1.170 175.348 176.600 -0.137 0.000 1.089 1128 K CA 0.002 56.200 56.287 -0.149 0.000 0.909 1128 K CB -0.042 32.369 32.500 -0.148 0.000 1.123 1128 K HN 0.743 nan 8.250 nan 0.000 0.473 1129 L N 4.714 125.885 121.223 -0.087 0.000 2.350 1129 L HA 0.259 4.599 4.340 -0.001 0.000 0.275 1129 L C 0.693 177.564 176.870 0.002 0.000 1.099 1129 L CA -0.681 54.139 54.840 -0.034 0.000 0.808 1129 L CB 1.354 43.428 42.059 0.025 0.000 1.149 1129 L HN 0.658 nan 8.230 nan 0.000 0.442 1130 Q N 1.472 121.284 119.800 0.020 0.000 2.382 1130 Q HA 0.571 4.910 4.340 -0.001 0.000 0.229 1130 Q C 0.246 176.275 176.000 0.048 0.000 1.006 1130 Q CA -0.107 55.715 55.803 0.031 0.000 0.916 1130 Q CB 1.189 29.951 28.738 0.040 0.000 1.235 1130 Q HN 0.850 nan 8.270 nan 0.000 0.512 1131 G N 0.141 108.962 108.800 0.035 0.000 2.459 1131 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.685 1131 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.685 1131 G C -0.550 174.369 174.900 0.032 0.000 1.303 1131 G CA -0.744 44.380 45.100 0.041 0.000 0.907 1131 G HN 0.544 nan 8.290 nan 0.000 0.632 1132 T N 0.889 115.462 114.554 0.031 0.000 2.791 1132 T HA 0.258 4.607 4.350 -0.001 0.000 0.323 1132 T C 2.088 176.808 174.700 0.034 0.000 1.082 1132 T CA 0.523 62.639 62.100 0.027 0.000 1.084 1132 T CB 0.478 69.362 68.868 0.027 0.000 0.992 1132 T HN 0.699 nan 8.240 nan 0.000 0.547 1133 L N 2.140 123.381 121.223 0.030 0.000 2.081 1133 L HA -0.018 4.322 4.340 -0.001 0.000 0.212 1133 L C -0.440 176.455 176.870 0.042 0.000 1.080 1133 L CA 1.998 56.859 54.840 0.035 0.000 0.754 1133 L CB -1.909 40.168 42.059 0.030 0.000 0.893 1133 L HN 0.577 nan 8.230 nan 0.000 0.433 1134 P HA -0.069 nan 4.420 nan 0.000 0.214 1134 P C 2.140 179.473 177.300 0.057 0.000 1.162 1134 P CA 0.828 63.956 63.100 0.047 0.000 0.874 1134 P CB 0.061 31.785 31.700 0.041 0.000 0.784 1135 V N 0.636 120.583 119.914 0.054 0.000 2.252 1135 V HA -0.299 3.820 4.120 -0.001 0.000 0.249 1135 V C 2.557 178.697 176.094 0.077 0.000 1.056 1135 V CA 2.321 64.660 62.300 0.064 0.000 1.022 1135 V CB -1.135 30.724 31.823 0.061 0.000 0.641 1135 V HN 0.244 nan 8.190 nan 0.000 0.445 1136 E N -0.287 119.954 120.200 0.069 0.000 2.160 1136 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 1136 E C 2.148 178.801 176.600 0.088 0.000 0.991 1136 E CA 1.333 57.777 56.400 0.074 0.000 0.810 1136 E CB -0.194 29.538 29.700 0.054 0.000 0.742 1136 E HN 0.605 nan 8.360 nan 0.000 0.466 1137 A N 1.377 124.248 122.820 0.084 0.000 1.855 1137 A HA -0.177 4.142 4.320 -0.001 0.000 0.215 1137 A C 2.224 179.882 177.584 0.124 0.000 1.191 1137 A CA 1.544 53.638 52.037 0.095 0.000 0.613 1137 A CB -0.566 18.482 19.000 0.081 0.000 0.829 1137 A HN 0.232 nan 8.150 nan 0.000 0.442 1138 R N -0.590 119.983 120.500 0.122 0.000 2.096 1138 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 1138 R C 2.067 178.471 176.300 0.173 0.000 1.127 1138 R CA 1.550 57.738 56.100 0.147 0.000 0.968 1138 R CB -0.155 30.211 30.300 0.110 0.000 0.861 1138 R HN 0.535 nan 8.270 nan 0.000 0.440 1139 E N 0.333 120.625 120.200 0.152 0.000 2.007 1139 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 1139 E C 1.666 178.396 176.600 0.217 0.000 0.999 1139 E CA 1.204 57.709 56.400 0.176 0.000 0.811 1139 E CB -0.586 29.205 29.700 0.152 0.000 0.762 1139 E HN 0.482 nan 8.360 nan 0.000 0.450 1140 N N 0.427 119.235 118.700 0.181 0.000 2.094 1140 N HA -0.199 4.541 4.740 -0.001 0.000 0.191 1140 N C 2.024 177.679 175.510 0.243 0.000 1.023 1140 N CA 1.415 54.582 53.050 0.194 0.000 0.857 1140 N CB 0.005 38.568 38.487 0.126 0.000 1.013 1140 N HN -0.011 nan 8.380 nan 0.000 0.426 1141 S N 0.799 116.626 115.700 0.211 0.000 2.359 1141 S HA -0.143 4.327 4.470 -0.001 0.000 0.224 1141 S C 2.040 176.764 174.600 0.207 0.000 1.035 1141 S CA 0.866 59.182 58.200 0.194 0.000 1.018 1141 S CB -0.487 62.838 63.200 0.208 0.000 0.876 1141 S HN 0.407 nan 8.310 nan 0.000 0.448 1142 L N -0.268 121.134 121.223 0.297 0.000 1.970 1142 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 1142 L C 2.380 179.382 176.870 0.220 0.000 1.071 1142 L CA 2.370 57.400 54.840 0.316 0.000 0.751 1142 L CB -0.711 41.516 42.059 0.280 0.000 0.889 1142 L HN 0.556 nan 8.230 nan 0.000 0.432 1143 Y N -0.107 120.282 120.300 0.149 0.000 2.069 1143 Y HA -0.391 4.159 4.550 -0.001 0.000 0.278 1143 Y C 2.355 178.370 175.900 0.191 0.000 1.175 1143 Y CA 2.186 60.376 58.100 0.150 0.000 1.134 1143 Y CB -0.408 38.202 38.460 0.249 0.000 0.965 1143 Y HN 0.161 nan 8.280 nan 0.000 0.498 1144 L N -0.078 121.387 121.223 0.403 0.000 1.956 1144 L HA -0.282 4.057 4.340 -0.001 0.000 0.216 1144 L C 2.414 179.333 176.870 0.081 0.000 1.073 1144 L CA 2.810 57.833 54.840 0.304 0.000 0.762 1144 L CB -1.227 41.021 42.059 0.316 0.000 0.889 1144 L HN 0.352 nan 8.230 nan 0.000 0.433 1145 T N -0.599 113.955 114.554 -0.001 0.000 2.946 1145 T HA -0.145 4.204 4.350 -0.001 0.000 0.271 1145 T C 1.746 176.321 174.700 -0.208 0.000 1.104 1145 T CA 0.951 62.929 62.100 -0.204 0.000 1.114 1145 T CB -0.474 68.183 68.868 -0.352 0.000 0.867 1145 T HN 0.496 nan 8.240 nan 0.000 0.513 1146 A N 0.681 123.417 122.820 -0.139 0.000 1.874 1146 A HA 0.200 4.519 4.320 -0.001 0.000 0.214 1146 A C 1.959 179.400 177.584 -0.239 0.000 1.189 1146 A CA 0.587 52.499 52.037 -0.208 0.000 0.615 1146 A CB -0.874 17.954 19.000 -0.288 0.000 0.830 1146 A HN 0.472 nan 8.150 nan 0.000 0.443 1147 F N 0.751 120.470 119.950 -0.385 0.000 2.102 1147 F HA -0.180 4.347 4.527 -0.001 0.000 0.298 1147 F C 2.929 178.568 175.800 -0.268 0.000 1.105 1147 F CA 1.975 59.758 58.000 -0.360 0.000 1.239 1147 F CB -0.075 38.668 39.000 -0.428 0.000 0.991 1147 F HN 0.320 nan 8.300 nan 0.000 0.474 1148 T N -1.035 113.549 114.554 0.050 0.000 2.759 1148 T HA -0.177 4.172 4.350 -0.001 0.000 0.269 1148 T C 1.928 176.533 174.700 -0.158 0.000 1.042 1148 T CA 1.813 63.881 62.100 -0.053 0.000 1.140 1148 T CB -0.806 67.995 68.868 -0.113 0.000 0.864 1148 T HN 0.092 nan 8.240 nan 0.000 0.455 1149 V N 1.749 121.509 119.914 -0.256 0.000 2.261 1149 V HA -0.107 4.013 4.120 -0.001 0.000 0.246 1149 V C 2.687 178.689 176.094 -0.152 0.000 1.047 1149 V CA 2.077 64.233 62.300 -0.240 0.000 1.015 1149 V CB -0.638 31.039 31.823 -0.244 0.000 0.642 1149 V HN 0.575 nan 8.190 nan 0.000 0.446 1150 I N 0.611 121.096 120.570 -0.141 0.000 2.091 1150 I HA -0.234 3.936 4.170 -0.001 0.000 0.239 1150 I C 2.661 178.733 176.117 -0.075 0.000 1.061 1150 I CA 1.941 63.170 61.300 -0.118 0.000 1.317 1150 I CB -1.508 36.404 38.000 -0.146 0.000 1.031 1150 I HN 0.420 nan 8.210 nan 0.000 0.401 1151 G N 2.030 110.809 108.800 -0.034 0.000 2.721 1151 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 1151 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 1151 G C 1.587 176.473 174.900 -0.022 0.000 1.265 1151 G CA 1.568 46.654 45.100 -0.024 0.000 0.796 1151 G HN 0.389 nan 8.290 nan 0.000 0.620 1152 I N 0.522 121.089 120.570 -0.005 0.000 2.113 1152 I HA -0.264 3.906 4.170 -0.001 0.000 0.242 1152 I C 3.008 179.166 176.117 0.068 0.000 1.064 1152 I CA 1.529 62.857 61.300 0.048 0.000 1.320 1152 I CB -0.361 37.671 38.000 0.053 0.000 1.028 1152 I HN 0.042 nan 8.210 nan 0.000 0.406 1153 R N 1.249 121.742 120.500 -0.011 0.000 2.171 1153 R HA -0.192 4.147 4.340 -0.001 0.000 0.226 1153 R C 2.228 178.540 176.300 0.020 0.000 1.113 1153 R CA 1.543 57.624 56.100 -0.032 0.000 0.887 1153 R CB -1.049 29.176 30.300 -0.124 0.000 0.830 1153 R HN 0.341 nan 8.270 nan 0.000 0.432 1154 K N 0.262 120.648 120.400 -0.023 0.000 2.097 1154 K HA -0.196 4.123 4.320 -0.001 0.000 0.214 1154 K C 1.923 178.520 176.600 -0.005 0.000 1.052 1154 K CA 2.013 58.286 56.287 -0.022 0.000 0.932 1154 K CB -0.413 32.057 32.500 -0.050 0.000 0.716 1154 K HN 0.346 nan 8.250 nan 0.000 0.455 1155 A N 0.010 122.829 122.820 -0.002 0.000 2.132 1155 A HA -0.007 4.313 4.320 -0.001 0.000 0.213 1155 A C 1.822 179.415 177.584 0.015 0.000 1.154 1155 A CA 0.110 52.135 52.037 -0.020 0.000 0.753 1155 A CB -0.484 18.485 19.000 -0.051 0.000 0.826 1155 A HN 0.308 nan 8.150 nan 0.000 0.469 1156 F N 1.963 121.879 119.950 -0.058 0.000 2.135 1156 F HA -0.319 4.208 4.527 -0.001 0.000 0.300 1156 F C 1.288 177.064 175.800 -0.040 0.000 1.074 1156 F CA 2.347 60.320 58.000 -0.046 0.000 1.262 1156 F CB -0.064 38.907 39.000 -0.049 0.000 1.013 1156 F HN 0.293 nan 8.300 nan 0.000 0.489 1157 D N 0.467 120.871 120.400 0.007 0.000 2.310 1157 D HA -0.104 4.535 4.640 -0.001 0.000 0.212 1157 D C 2.050 178.255 176.300 -0.159 0.000 0.965 1157 D CA 1.609 55.578 54.000 -0.051 0.000 0.879 1157 D CB -0.400 40.434 40.800 0.056 0.000 0.921 1157 D HN 0.534 nan 8.370 nan 0.000 0.510 1158 I N -1.835 118.635 120.570 -0.166 0.000 3.226 1158 I HA 0.060 4.229 4.170 -0.001 0.000 0.277 1158 I C 1.074 177.076 176.117 -0.191 0.000 1.243 1158 I CA 0.181 61.395 61.300 -0.142 0.000 1.459 1158 I CB 0.175 38.115 38.000 -0.100 0.000 1.093 1158 I HN -0.099 nan 8.210 nan 0.000 0.453 1159 c N 3.840 122.261 118.600 -0.298 0.000 3.163 1159 c HA 0.413 4.983 4.570 -0.001 0.000 0.228 1159 c C -2.319 171.435 174.090 -0.559 0.000 1.593 1159 c CA -1.708 54.432 56.329 -0.315 0.000 1.489 1159 c CB -0.621 41.759 42.510 -0.217 0.000 2.294 1159 c HN 0.138 nan 8.230 nan 0.000 0.508 1160 P HA 0.122 nan 4.420 nan 0.000 0.258 1160 P C -0.722 176.391 177.300 -0.311 0.000 1.187 1160 P CA 0.626 63.288 63.100 -0.730 0.000 0.767 1160 P CB 0.663 32.197 31.700 -0.277 0.000 0.770 1161 L N 6.134 127.245 121.223 -0.186 0.000 2.505 1161 L HA 0.106 4.445 4.340 -0.001 0.000 0.266 1161 L C 1.175 178.098 176.870 0.088 0.000 0.954 1161 L CA -0.838 53.981 54.840 -0.034 0.000 0.852 1161 L CB 1.468 43.490 42.059 -0.061 0.000 1.282 1161 L HN 0.164 nan 8.230 nan 0.000 0.403 1162 V N 3.000 122.951 119.914 0.061 0.000 2.227 1162 V HA -0.315 3.804 4.120 -0.001 0.000 0.249 1162 V C 2.003 178.143 176.094 0.075 0.000 1.046 1162 V CA 2.138 64.478 62.300 0.066 0.000 1.015 1162 V CB -1.167 30.678 31.823 0.037 0.000 0.648 1162 V HN 0.927 nan 8.190 nan 0.000 0.460 1163 K N 0.571 121.003 120.400 0.053 0.000 2.293 1163 K HA -0.172 4.147 4.320 -0.001 0.000 0.204 1163 K C 2.006 178.652 176.600 0.077 0.000 1.045 1163 K CA 2.239 58.556 56.287 0.051 0.000 0.933 1163 K CB -0.374 32.146 32.500 0.034 0.000 0.736 1163 K HN 0.886 nan 8.250 nan 0.000 0.463 1164 I N -2.780 117.856 120.570 0.111 0.000 3.645 1164 I HA 0.005 4.174 4.170 -0.001 0.000 0.300 1164 I C 1.571 177.816 176.117 0.213 0.000 1.260 1164 I CA 0.617 62.013 61.300 0.161 0.000 1.365 1164 I CB 0.046 38.150 38.000 0.173 0.000 1.077 1164 I HN -0.112 nan 8.210 nan 0.000 0.439 1165 D N 1.633 122.167 120.400 0.224 0.000 2.097 1165 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 1165 D C 1.935 178.263 176.300 0.047 0.000 0.989 1165 D CA 2.239 56.315 54.000 0.127 0.000 0.827 1165 D CB -0.090 40.782 40.800 0.119 0.000 0.966 1165 D HN 0.325 nan 8.370 nan 0.000 0.456 1166 T N 0.150 114.739 114.554 0.059 0.000 2.516 1166 T HA -0.259 4.090 4.350 -0.001 0.000 0.261 1166 T C 1.958 176.688 174.700 0.049 0.000 1.130 1166 T CA 2.553 64.679 62.100 0.042 0.000 1.193 1166 T CB -1.021 67.874 68.868 0.045 0.000 0.864 1166 T HN 0.317 nan 8.240 nan 0.000 0.410 1167 A N 0.820 123.685 122.820 0.075 0.000 1.997 1167 A HA -0.134 4.185 4.320 -0.001 0.000 0.221 1167 A C 2.348 179.982 177.584 0.085 0.000 1.172 1167 A CA 1.704 53.806 52.037 0.108 0.000 0.645 1167 A CB -1.087 18.004 19.000 0.151 0.000 0.813 1167 A HN 0.527 nan 8.150 nan 0.000 0.454 1168 L N -1.185 120.064 121.223 0.044 0.000 2.079 1168 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 1168 L C 2.382 179.216 176.870 -0.060 0.000 1.081 1168 L CA 1.510 56.330 54.840 -0.034 0.000 0.752 1168 L CB -0.241 41.757 42.059 -0.102 0.000 0.896 1168 L HN 0.444 nan 8.230 nan 0.000 0.433 1169 I N -0.915 119.634 120.570 -0.035 0.000 2.193 1169 I HA -0.238 3.932 4.170 -0.001 0.000 0.240 1169 I C 2.335 178.456 176.117 0.005 0.000 1.084 1169 I CA 0.836 62.120 61.300 -0.027 0.000 1.365 1169 I CB -0.388 37.603 38.000 -0.016 0.000 1.064 1169 I HN 0.023 nan 8.210 nan 0.000 0.410 1170 K N 0.992 121.412 120.400 0.033 0.000 2.189 1170 K HA -0.239 4.081 4.320 -0.001 0.000 0.207 1170 K C 2.026 178.672 176.600 0.077 0.000 1.046 1170 K CA 1.751 58.077 56.287 0.065 0.000 0.928 1170 K CB -0.762 31.788 32.500 0.083 0.000 0.720 1170 K HN 0.443 nan 8.250 nan 0.000 0.458 1171 A N 1.561 124.396 122.820 0.025 0.000 1.835 1171 A HA -0.137 4.182 4.320 -0.001 0.000 0.213 1171 A C 1.874 179.453 177.584 -0.008 0.000 1.210 1171 A CA 1.520 53.531 52.037 -0.045 0.000 0.605 1171 A CB -0.612 18.263 19.000 -0.208 0.000 0.860 1171 A HN 0.162 nan 8.150 nan 0.000 0.447 1172 D N 0.370 120.741 120.400 -0.049 0.000 2.157 1172 D HA -0.191 4.448 4.640 -0.001 0.000 0.191 1172 D C 1.792 178.089 176.300 -0.005 0.000 1.004 1172 D CA 1.477 55.449 54.000 -0.048 0.000 0.854 1172 D CB -0.504 40.250 40.800 -0.078 0.000 0.936 1172 D HN 0.544 nan 8.370 nan 0.000 0.446 1173 N N -0.434 118.277 118.700 0.019 0.000 2.005 1173 N HA -0.222 4.517 4.740 -0.001 0.000 0.199 1173 N C 1.896 177.440 175.510 0.056 0.000 1.054 1173 N CA 1.172 54.238 53.050 0.028 0.000 0.864 1173 N CB -0.535 37.983 38.487 0.052 0.000 1.063 1173 N HN 0.170 nan 8.380 nan 0.000 0.428 1174 F N 2.247 122.180 119.950 -0.028 0.000 2.111 1174 F HA -0.261 4.265 4.527 -0.001 0.000 0.300 1174 F C 2.226 178.005 175.800 -0.034 0.000 1.088 1174 F CA 1.326 59.316 58.000 -0.016 0.000 1.243 1174 F CB -0.329 38.672 39.000 0.002 0.000 0.996 1174 F HN 0.047 nan 8.300 nan 0.000 0.483 1175 L N -0.234 121.092 121.223 0.172 0.000 1.976 1175 L HA -0.260 4.080 4.340 -0.001 0.000 0.209 1175 L C 2.496 179.323 176.870 -0.072 0.000 1.071 1175 L CA 1.789 56.669 54.840 0.067 0.000 0.746 1175 L CB -0.893 41.194 42.059 0.046 0.000 0.890 1175 L HN 0.254 nan 8.230 nan 0.000 0.432 1176 L N -0.457 120.707 121.223 -0.097 0.000 1.956 1176 L HA -0.272 4.068 4.340 -0.001 0.000 0.216 1176 L C 2.116 178.894 176.870 -0.153 0.000 1.073 1176 L CA 1.548 56.296 54.840 -0.153 0.000 0.762 1176 L CB -0.797 41.107 42.059 -0.259 0.000 0.889 1176 L HN 0.258 nan 8.230 nan 0.000 0.433 1177 E N 0.052 120.159 120.200 -0.156 0.000 2.527 1177 E HA -0.133 4.216 4.350 -0.001 0.000 0.204 1177 E C 0.583 177.042 176.600 -0.236 0.000 1.132 1177 E CA 0.208 56.513 56.400 -0.158 0.000 0.905 1177 E CB -0.069 29.558 29.700 -0.122 0.000 0.875 1177 E HN 0.445 nan 8.360 nan 0.000 0.548 1178 N N -1.716 116.817 118.700 -0.279 0.000 1.899 1178 N HA 0.010 4.749 4.740 -0.001 0.000 0.223 1178 N C 0.604 175.994 175.510 -0.199 0.000 1.411 1178 N CA 0.202 53.051 53.050 -0.336 0.000 0.737 1178 N CB 0.773 38.807 38.487 -0.755 0.000 1.100 1178 N HN -0.023 nan 8.380 nan 0.000 0.527 1179 T N 1.105 115.580 114.554 -0.132 0.000 2.852 1179 T HA 0.152 4.502 4.350 -0.001 0.000 0.256 1179 T C 2.072 176.744 174.700 -0.046 0.000 1.038 1179 T CA 0.501 62.561 62.100 -0.066 0.000 1.141 1179 T CB 0.226 69.064 68.868 -0.049 0.000 0.869 1179 T HN 0.060 nan 8.240 nan 0.000 0.439 1180 L N 0.696 121.886 121.223 -0.054 0.000 2.141 1180 L HA 0.035 4.375 4.340 -0.001 0.000 0.209 1180 L C -1.227 175.628 176.870 -0.025 0.000 1.094 1180 L CA 0.562 55.379 54.840 -0.038 0.000 0.763 1180 L CB -1.282 40.752 42.059 -0.042 0.000 0.908 1180 L HN 0.120 nan 8.230 nan 0.000 0.437 1181 P HA 0.012 nan 4.420 nan 0.000 0.245 1181 P C -0.466 176.835 177.300 0.000 0.000 1.670 1181 P CA 0.150 63.243 63.100 -0.011 0.000 1.146 1181 P CB -0.118 31.575 31.700 -0.011 0.000 1.954 1182 A N 2.119 124.940 122.820 0.001 0.000 2.545 1182 A HA -0.058 4.261 4.320 -0.001 0.000 0.253 1182 A C 1.560 179.163 177.584 0.030 0.000 1.074 1182 A CA 0.241 52.288 52.037 0.016 0.000 0.760 1182 A CB 0.210 19.219 19.000 0.015 0.000 1.005 1182 A HN 0.309 nan 8.150 nan 0.000 0.506 1183 Q N 1.709 121.544 119.800 0.058 0.000 2.204 1183 Q HA 0.139 4.479 4.340 -0.001 0.000 0.198 1183 Q C 0.590 176.656 176.000 0.109 0.000 0.946 1183 Q CA 1.553 57.409 55.803 0.087 0.000 0.859 1183 Q CB 0.232 29.032 28.738 0.103 0.000 0.946 1183 Q HN 0.896 nan 8.270 nan 0.000 0.474 1184 S N -2.669 113.102 115.700 0.118 0.000 2.537 1184 S HA 0.305 4.775 4.470 -0.001 0.000 0.271 1184 S C 0.283 174.981 174.600 0.163 0.000 1.148 1184 S CA -0.183 58.107 58.200 0.150 0.000 0.868 1184 S CB 0.943 64.267 63.200 0.206 0.000 1.115 1184 S HN 0.196 nan 8.310 nan 0.000 0.461 1185 T N 3.165 117.828 114.554 0.182 0.000 2.665 1185 T HA -0.081 4.268 4.350 -0.001 0.000 0.268 1185 T C 1.445 176.270 174.700 0.209 0.000 1.035 1185 T CA 2.240 64.463 62.100 0.206 0.000 1.151 1185 T CB -0.623 68.407 68.868 0.270 0.000 0.862 1185 T HN 0.602 nan 8.240 nan 0.000 0.438 1186 F N 2.186 122.208 119.950 0.120 0.000 2.043 1186 F HA -0.231 4.295 4.527 -0.001 0.000 0.297 1186 F C 2.512 178.356 175.800 0.074 0.000 1.121 1186 F CA 1.962 60.031 58.000 0.114 0.000 1.199 1186 F CB -1.108 37.977 39.000 0.141 0.000 0.968 1186 F HN 0.094 nan 8.300 nan 0.000 0.478 1187 T N 1.660 116.321 114.554 0.179 0.000 2.624 1187 T HA -0.267 4.082 4.350 -0.001 0.000 0.268 1187 T C 1.861 176.520 174.700 -0.069 0.000 1.041 1187 T CA 1.742 63.880 62.100 0.063 0.000 1.159 1187 T CB -0.803 68.153 68.868 0.148 0.000 0.863 1187 T HN 0.160 nan 8.240 nan 0.000 0.434 1188 L N 1.376 122.590 121.223 -0.015 0.000 1.971 1188 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 1188 L C 2.840 179.647 176.870 -0.105 0.000 1.072 1188 L CA 2.076 56.896 54.840 -0.033 0.000 0.758 1188 L CB -1.454 40.617 42.059 0.019 0.000 0.889 1188 L HN 0.314 nan 8.230 nan 0.000 0.433 1189 A N -0.605 122.129 122.820 -0.142 0.000 1.903 1189 A HA -0.266 4.054 4.320 -0.001 0.000 0.219 1189 A C 2.299 179.727 177.584 -0.260 0.000 1.191 1189 A CA 2.488 54.418 52.037 -0.178 0.000 0.638 1189 A CB -0.903 18.005 19.000 -0.152 0.000 0.823 1189 A HN 0.501 nan 8.150 nan 0.000 0.451 1190 I N -1.293 118.937 120.570 -0.567 0.000 2.286 1190 I HA -0.152 4.018 4.170 -0.001 0.000 0.245 1190 I C 2.733 178.675 176.117 -0.291 0.000 1.104 1190 I CA 1.276 62.177 61.300 -0.665 0.000 1.397 1190 I CB -0.327 37.020 38.000 -1.089 0.000 1.072 1190 I HN 0.386 nan 8.210 nan 0.000 0.417 1191 S N 0.618 116.186 115.700 -0.220 0.000 2.400 1191 S HA -0.196 4.274 4.470 -0.001 0.000 0.232 1191 S C 2.067 176.642 174.600 -0.041 0.000 1.025 1191 S CA 1.423 59.559 58.200 -0.107 0.000 0.993 1191 S CB -0.150 63.014 63.200 -0.060 0.000 0.808 1191 S HN 0.474 nan 8.310 nan 0.000 0.478 1192 A N 0.628 123.433 122.820 -0.025 0.000 1.819 1192 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 1192 A C 1.913 179.575 177.584 0.129 0.000 1.226 1192 A CA 1.609 53.684 52.037 0.063 0.000 0.608 1192 A CB -1.635 17.384 19.000 0.032 0.000 0.877 1192 A HN 0.683 nan 8.150 nan 0.000 0.452 1193 Y N 0.958 121.255 120.300 -0.005 0.000 2.283 1193 Y HA -0.204 4.346 4.550 -0.001 0.000 0.285 1193 Y C 2.433 178.314 175.900 -0.031 0.000 1.176 1193 Y CA 1.202 59.309 58.100 0.013 0.000 1.229 1193 Y CB -0.375 38.112 38.460 0.044 0.000 0.975 1193 Y HN 0.317 nan 8.280 nan 0.000 0.537 1194 A N 0.013 122.763 122.820 -0.116 0.000 1.855 1194 A HA -0.079 4.240 4.320 -0.001 0.000 0.213 1194 A C 2.212 179.664 177.584 -0.219 0.000 1.195 1194 A CA 1.526 53.438 52.037 -0.207 0.000 0.610 1194 A CB -1.006 17.899 19.000 -0.158 0.000 0.837 1194 A HN 0.491 nan 8.150 nan 0.000 0.444 1195 L N -0.538 120.608 121.223 -0.127 0.000 2.046 1195 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 1195 L C 2.721 179.400 176.870 -0.319 0.000 1.077 1195 L CA 1.361 56.102 54.840 -0.165 0.000 0.747 1195 L CB -0.763 41.297 42.059 0.002 0.000 0.896 1195 L HN 0.426 nan 8.230 nan 0.000 0.432 1196 S N 0.322 115.890 115.700 -0.220 0.000 2.421 1196 S HA -0.188 4.282 4.470 -0.001 0.000 0.239 1196 S C 1.375 175.751 174.600 -0.373 0.000 1.054 1196 S CA 1.286 59.322 58.200 -0.273 0.000 1.035 1196 S CB -0.342 62.758 63.200 -0.166 0.000 0.840 1196 S HN 0.357 nan 8.310 nan 0.000 0.475 1197 L N 0.872 121.849 121.223 -0.409 0.000 3.035 1197 L HA 0.432 4.771 4.340 -0.001 0.000 0.232 1197 L C 0.874 177.573 176.870 -0.286 0.000 1.341 1197 L CA -0.206 54.423 54.840 -0.352 0.000 1.177 1197 L CB 0.022 41.853 42.059 -0.380 0.000 1.555 1197 L HN 0.392 nan 8.230 nan 0.000 0.473 1198 G N -0.987 107.636 108.800 -0.296 0.000 3.046 1198 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.137 1198 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.137 1198 G C -1.352 173.389 174.900 -0.266 0.000 1.207 1198 G CA -0.368 44.573 45.100 -0.265 0.000 1.218 1198 G HN 0.089 nan 8.290 nan 0.000 0.625 1199 D N 1.663 121.914 120.400 -0.249 0.000 2.383 1199 D HA 0.215 4.854 4.640 -0.001 0.000 0.245 1199 D C 1.102 177.173 176.300 -0.381 0.000 1.263 1199 D CA -0.163 53.699 54.000 -0.231 0.000 0.936 1199 D CB 0.544 41.263 40.800 -0.135 0.000 1.053 1199 D HN 0.386 nan 8.370 nan 0.000 0.507 1200 K N 1.704 121.847 120.400 -0.430 0.000 2.546 1200 K HA 0.027 4.347 4.320 -0.001 0.000 0.198 1200 K C 0.760 177.144 176.600 -0.361 0.000 1.028 1200 K CA 0.222 56.071 56.287 -0.730 0.000 1.150 1200 K CB -0.158 32.097 32.500 -0.408 0.000 0.876 1200 K HN 0.376 nan 8.250 nan 0.000 0.508 1201 T N -3.758 110.707 114.554 -0.149 0.000 3.058 1201 T HA -0.002 4.347 4.350 -0.001 0.000 0.278 1201 T C 0.125 174.883 174.700 0.098 0.000 0.974 1201 T CA -0.470 61.651 62.100 0.034 0.000 0.893 1201 T CB -0.451 68.409 68.868 -0.013 0.000 1.138 1201 T HN 0.324 nan 8.240 nan 0.000 0.529 1202 H N 3.657 122.739 119.070 0.019 0.000 3.184 1202 H HA 0.155 4.710 4.556 -0.001 0.000 0.274 1202 H C -1.499 173.891 175.328 0.104 0.000 0.962 1202 H CA -1.206 54.871 56.048 0.048 0.000 1.441 1202 H CB 0.738 30.523 29.762 0.038 0.000 1.518 1202 H HN -0.041 nan 8.280 nan 0.000 0.539 1203 P HA -0.355 nan 4.420 nan 0.000 0.222 1203 P C 1.471 178.925 177.300 0.256 0.000 1.157 1203 P CA 1.685 64.885 63.100 0.168 0.000 0.905 1203 P CB 0.236 31.980 31.700 0.075 0.000 0.792 1204 Q N -1.041 119.050 119.800 0.485 0.000 2.030 1204 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 1204 Q C 1.955 178.011 176.000 0.093 0.000 0.986 1204 Q CA 1.743 57.653 55.803 0.179 0.000 0.843 1204 Q CB -1.539 27.151 28.738 -0.080 0.000 0.904 1204 Q HN 0.211 nan 8.270 nan 0.000 0.420 1205 F N 1.017 120.959 119.950 -0.012 0.000 2.111 1205 F HA -0.310 4.216 4.527 -0.001 0.000 0.300 1205 F C 1.776 177.579 175.800 0.004 0.000 1.088 1205 F CA 2.025 60.012 58.000 -0.022 0.000 1.243 1205 F CB -0.210 38.790 39.000 0.000 0.000 0.996 1205 F HN 0.085 nan 8.300 nan 0.000 0.483 1206 R N -0.077 120.411 120.500 -0.020 0.000 2.105 1206 R HA -0.158 4.181 4.340 -0.001 0.000 0.239 1206 R C 2.584 178.797 176.300 -0.144 0.000 1.135 1206 R CA 1.342 57.367 56.100 -0.124 0.000 0.967 1206 R CB -1.480 28.827 30.300 0.011 0.000 0.861 1206 R HN 0.377 nan 8.270 nan 0.000 0.442 1207 S N 0.820 116.475 115.700 -0.076 0.000 2.355 1207 S HA -0.025 4.444 4.470 -0.001 0.000 0.222 1207 S C 2.083 176.624 174.600 -0.098 0.000 1.031 1207 S CA 0.824 58.985 58.200 -0.065 0.000 0.993 1207 S CB -0.084 63.099 63.200 -0.028 0.000 0.859 1207 S HN 0.229 nan 8.310 nan 0.000 0.453 1208 I N 1.151 121.646 120.570 -0.125 0.000 2.099 1208 I HA -0.123 4.046 4.170 -0.001 0.000 0.239 1208 I C 2.201 178.218 176.117 -0.166 0.000 1.066 1208 I CA 1.156 62.381 61.300 -0.125 0.000 1.324 1208 I CB -1.215 36.720 38.000 -0.108 0.000 1.037 1208 I HN 0.138 nan 8.210 nan 0.000 0.401 1209 V N 1.736 121.447 119.914 -0.339 0.000 2.453 1209 V HA -0.306 3.814 4.120 -0.001 0.000 0.252 1209 V C 2.906 178.915 176.094 -0.143 0.000 1.068 1209 V CA 2.326 64.431 62.300 -0.326 0.000 1.070 1209 V CB -1.002 30.448 31.823 -0.622 0.000 0.664 1209 V HN 0.681 nan 8.190 nan 0.000 0.461 1210 S N 1.118 116.735 115.700 -0.138 0.000 2.344 1210 S HA -0.207 4.263 4.470 -0.001 0.000 0.217 1210 S C 2.177 176.759 174.600 -0.031 0.000 1.033 1210 S CA 1.732 59.885 58.200 -0.078 0.000 1.017 1210 S CB -0.665 62.490 63.200 -0.074 0.000 0.941 1210 S HN 0.604 nan 8.310 nan 0.000 0.430 1211 A N 2.524 125.326 122.820 -0.030 0.000 1.859 1211 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 1211 A C 2.364 179.979 177.584 0.052 0.000 1.198 1211 A CA 2.081 54.117 52.037 -0.001 0.000 0.629 1211 A CB -1.450 17.544 19.000 -0.010 0.000 0.830 1211 A HN 0.735 nan 8.150 nan 0.000 0.446 1212 L N -0.206 121.061 121.223 0.073 0.000 1.978 1212 L HA -0.230 4.110 4.340 -0.001 0.000 0.218 1212 L C 2.214 179.274 176.870 0.316 0.000 1.075 1212 L CA 2.882 57.835 54.840 0.189 0.000 0.767 1212 L CB -0.923 41.213 42.059 0.129 0.000 0.890 1212 L HN 0.436 nan 8.230 nan 0.000 0.434 1213 K N -0.919 119.625 120.400 0.239 0.000 2.209 1213 K HA -0.218 4.101 4.320 -0.001 0.000 0.204 1213 K C 2.294 178.961 176.600 0.111 0.000 1.048 1213 K CA 1.380 57.830 56.287 0.272 0.000 0.940 1213 K CB -0.181 32.386 32.500 0.111 0.000 0.729 1213 K HN 0.417 nan 8.250 nan 0.000 0.451 1214 R N 0.726 121.256 120.500 0.051 0.000 2.081 1214 R HA -0.141 4.198 4.340 -0.001 0.000 0.235 1214 R C 1.415 177.699 176.300 -0.027 0.000 1.131 1214 R CA 1.603 57.699 56.100 -0.007 0.000 0.960 1214 R CB 0.024 30.317 30.300 -0.010 0.000 0.856 1214 R HN 0.126 nan 8.270 nan 0.000 0.436 1215 E N 0.531 120.749 120.200 0.030 0.000 2.371 1215 E HA 0.060 4.409 4.350 -0.001 0.000 0.194 1215 E C 0.666 177.161 176.600 -0.175 0.000 1.012 1215 E CA 0.536 56.936 56.400 0.001 0.000 0.860 1215 E CB 0.171 29.948 29.700 0.128 0.000 0.811 1215 E HN 0.448 nan 8.360 nan 0.000 0.502 1216 A N 0.883 123.402 122.820 -0.502 0.000 2.532 1216 A HA 0.219 4.538 4.320 -0.001 0.000 0.248 1216 A C 0.405 177.612 177.584 -0.629 0.000 1.118 1216 A CA 0.507 51.881 52.037 -1.106 0.000 0.805 1216 A CB 0.149 18.243 19.000 -1.510 0.000 1.068 1216 A HN 0.146 nan 8.150 nan 0.000 0.518 1217 L N -2.492 118.291 121.223 -0.734 0.000 2.630 1217 L HA 0.825 5.165 4.340 -0.001 0.000 0.249 1217 L C -0.659 175.755 176.870 -0.759 0.000 1.130 1217 L CA -0.883 53.610 54.840 -0.578 0.000 0.987 1217 L CB 1.456 43.236 42.059 -0.465 0.000 1.575 1217 L HN 1.048 nan 8.230 nan 0.000 0.386 1218 V N -2.863 116.667 119.914 -0.640 0.000 3.218 1218 V HA 0.462 4.582 4.120 -0.001 0.000 0.266 1218 V C -1.771 174.168 176.094 -0.259 0.000 1.831 1218 V CA -1.146 60.839 62.300 -0.525 0.000 0.997 1218 V CB 1.736 33.350 31.823 -0.348 0.000 1.324 1218 V HN 0.687 nan 8.190 nan 0.000 0.469 1219 K N 1.028 121.374 120.400 -0.090 0.000 2.502 1219 K HA 0.704 5.024 4.320 -0.001 0.000 0.254 1219 K C 0.032 176.697 176.600 0.108 0.000 0.947 1219 K CA 0.097 56.439 56.287 0.092 0.000 0.834 1219 K CB 1.531 34.227 32.500 0.327 0.000 1.112 1219 K HN 2.025 nan 8.250 nan 0.000 0.427 1220 G N 2.566 111.403 108.800 0.060 0.000 2.778 1220 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.686 1220 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.686 1220 G C -0.982 173.914 174.900 -0.007 0.000 1.309 1220 G CA -0.757 44.365 45.100 0.037 0.000 0.904 1220 G HN 0.697 nan 8.290 nan 0.000 0.593 1221 N N 1.794 120.487 118.700 -0.013 0.000 2.399 1221 N HA 0.622 5.362 4.740 -0.001 0.000 0.295 1221 N C -1.509 173.988 175.510 -0.023 0.000 1.048 1221 N CA -1.317 51.718 53.050 -0.025 0.000 0.886 1221 N CB 1.236 39.708 38.487 -0.025 0.000 1.185 1221 N HN 0.419 nan 8.380 nan 0.000 0.487 1222 P HA 0.242 nan 4.420 nan 0.000 0.272 1222 P C -2.653 174.619 177.300 -0.047 0.000 1.254 1222 P CA -0.735 62.344 63.100 -0.036 0.000 0.795 1222 P CB -0.523 31.157 31.700 -0.033 0.000 1.022 1223 P HA -0.031 nan 4.420 nan 0.000 0.255 1223 P C 0.286 177.530 177.300 -0.092 0.000 1.161 1223 P CA 1.023 64.080 63.100 -0.072 0.000 0.768 1223 P CB -0.116 31.544 31.700 -0.066 0.000 0.746 1224 I N 1.742 122.232 120.570 -0.133 0.000 3.616 1224 I HA 0.053 4.223 4.170 -0.001 0.000 0.296 1224 I C 0.098 175.914 176.117 -0.502 0.000 1.226 1224 I CA 0.515 61.634 61.300 -0.302 0.000 1.394 1224 I CB 0.106 37.881 38.000 -0.375 0.000 1.171 1224 I HN 0.210 nan 8.210 nan 0.000 0.442 1225 Y N 1.166 121.472 120.300 0.010 0.000 2.373 1225 Y HA 0.561 5.111 4.550 -0.001 0.000 0.336 1225 Y C -0.063 175.710 175.900 -0.213 0.000 0.979 1225 Y CA -0.866 57.239 58.100 0.007 0.000 1.080 1225 Y CB 1.406 39.949 38.460 0.137 0.000 1.190 1225 Y HN -0.092 nan 8.280 nan 0.000 0.446 1226 R N 4.209 124.633 120.500 -0.127 0.000 2.562 1226 R HA 0.802 5.141 4.340 -0.001 0.000 0.298 1226 R C -1.735 174.269 176.300 -0.493 0.000 0.961 1226 R CA -0.499 55.332 56.100 -0.448 0.000 0.881 1226 R CB 1.045 31.083 30.300 -0.437 0.000 1.159 1226 R HN 0.630 nan 8.270 nan 0.000 0.450 1227 F N 0.085 119.634 119.950 -0.670 0.000 2.779 1227 F HA 0.636 5.163 4.527 -0.001 0.000 0.316 1227 F C -1.542 174.149 175.800 -0.181 0.000 1.164 1227 F CA -1.523 56.185 58.000 -0.486 0.000 0.924 1227 F CB 0.984 39.083 39.000 -1.502 0.000 1.348 1227 F HN 0.318 nan 8.300 nan 0.000 0.467 1228 W N 0.413 121.772 121.300 0.099 0.000 2.804 1228 W HA 0.679 5.338 4.660 -0.001 0.000 0.352 1228 W C -0.688 175.991 176.519 0.267 0.000 1.153 1228 W CA -0.963 56.453 57.345 0.118 0.000 1.119 1228 W CB 2.257 31.780 29.460 0.105 0.000 1.448 1228 W HN 0.435 nan 8.180 nan 0.000 0.600 1229 K N 0.309 120.976 120.400 0.445 0.000 2.350 1229 K HA 0.081 4.400 4.320 -0.001 0.000 0.241 1229 K C 0.647 177.421 176.600 0.291 0.000 0.994 1229 K CA -0.568 55.923 56.287 0.340 0.000 0.839 1229 K CB 1.902 34.553 32.500 0.251 0.000 1.244 1229 K HN 0.246 nan 8.250 nan 0.000 0.443 1230 D N 1.029 121.564 120.400 0.226 0.000 2.104 1230 D HA -0.192 4.447 4.640 -0.001 0.000 0.194 1230 D C 0.593 177.007 176.300 0.190 0.000 0.994 1230 D CA 1.435 55.547 54.000 0.187 0.000 0.830 1230 D CB -0.116 40.740 40.800 0.094 0.000 0.959 1230 D HN 0.657 nan 8.370 nan 0.000 0.452 1231 N N 0.585 119.385 118.700 0.166 0.000 2.247 1231 N HA -0.053 4.687 4.740 -0.001 0.000 0.252 1231 N C 0.126 175.722 175.510 0.143 0.000 1.259 1231 N CA 0.142 53.291 53.050 0.165 0.000 0.877 1231 N CB 0.171 38.754 38.487 0.161 0.000 0.959 1231 N HN 0.302 nan 8.380 nan 0.000 0.432 1232 L N -0.734 120.527 121.223 0.063 0.000 2.635 1232 L HA 0.082 4.422 4.340 -0.001 0.000 0.251 1232 L C 0.011 176.739 176.870 -0.236 0.000 1.056 1232 L CA -0.053 54.764 54.840 -0.037 0.000 0.936 1232 L CB -0.168 41.875 42.059 -0.026 0.000 1.162 1232 L HN 0.888 nan 8.230 nan 0.000 0.481 1233 Q N 0.925 120.650 119.800 -0.125 0.000 2.348 1233 Q HA -0.317 4.022 4.340 -0.001 0.000 0.221 1233 Q C -0.529 175.383 176.000 -0.147 0.000 0.735 1233 Q CA 2.068 57.790 55.803 -0.135 0.000 1.351 1233 Q CB -1.834 26.823 28.738 -0.135 0.000 1.640 1233 Q HN 0.817 nan 8.270 nan 0.000 0.667 1234 H N 1.223 120.312 119.070 0.033 0.000 2.535 1234 H HA 0.126 4.682 4.556 -0.001 0.000 0.273 1234 H C 0.462 175.803 175.328 0.021 0.000 0.983 1234 H CA 1.046 57.109 56.048 0.025 0.000 1.238 1234 H CB 0.366 30.145 29.762 0.028 0.000 1.412 1234 H HN 0.269 nan 8.280 nan 0.000 0.562 1235 K N 1.767 122.232 120.400 0.108 0.000 3.540 1235 K HA -0.198 4.122 4.320 -0.001 0.000 0.274 1235 K C 0.537 177.176 176.600 0.065 0.000 0.890 1235 K CA 0.604 56.929 56.287 0.064 0.000 0.701 1235 K CB -0.955 31.563 32.500 0.029 0.000 1.523 1235 K HN 0.427 nan 8.250 nan 0.000 0.450 1236 D N 0.421 120.867 120.400 0.076 0.000 2.310 1236 D HA -0.070 4.569 4.640 -0.001 0.000 0.212 1236 D C 0.777 177.103 176.300 0.044 0.000 0.965 1236 D CA 1.254 55.285 54.000 0.052 0.000 0.879 1236 D CB 0.129 40.957 40.800 0.046 0.000 0.921 1236 D HN 0.425 nan 8.370 nan 0.000 0.510 1237 S N -1.132 114.599 115.700 0.052 0.000 3.146 1237 S HA -0.253 4.217 4.470 -0.001 0.000 0.285 1237 S C 0.208 174.840 174.600 0.054 0.000 1.293 1237 S CA 0.981 59.210 58.200 0.048 0.000 1.137 1237 S CB -2.085 61.133 63.200 0.030 0.000 1.357 1237 S HN 0.492 nan 8.310 nan 0.000 0.678 1238 S N 1.364 117.095 115.700 0.051 0.000 3.355 1238 S HA 0.384 4.854 4.470 -0.001 0.000 0.293 1238 S C 0.497 175.134 174.600 0.060 0.000 1.197 1238 S CA 0.032 58.258 58.200 0.043 0.000 1.117 1238 S CB 0.411 63.627 63.200 0.027 0.000 1.587 1238 S HN 1.333 nan 8.310 nan 0.000 0.536 1239 V N -0.387 119.574 119.914 0.079 0.000 2.966 1239 V HA 0.380 4.499 4.120 -0.001 0.000 0.378 1239 V C -2.265 173.863 176.094 0.057 0.000 1.279 1239 V CA -2.087 60.274 62.300 0.101 0.000 1.439 1239 V CB -0.711 31.227 31.823 0.191 0.000 1.451 1239 V HN 0.547 nan 8.190 nan 0.000 0.570 1240 P HA 0.020 nan 4.420 nan 0.000 0.219 1240 P C 0.049 177.332 177.300 -0.029 0.000 1.501 1240 P CA 0.491 63.589 63.100 -0.002 0.000 1.124 1240 P CB -0.781 30.910 31.700 -0.015 0.000 1.848 1241 N N -0.787 117.903 118.700 -0.017 0.000 2.693 1241 N HA -0.162 4.577 4.740 -0.001 0.000 0.249 1241 N C -0.238 175.218 175.510 -0.090 0.000 1.119 1241 N CA 1.813 54.830 53.050 -0.056 0.000 0.717 1241 N CB -2.062 36.363 38.487 -0.104 0.000 1.071 1241 N HN 0.552 nan 8.380 nan 0.000 0.555 1242 T N -4.184 110.345 114.554 -0.041 0.000 3.032 1242 T HA 0.650 4.999 4.350 -0.001 0.000 0.312 1242 T C 0.604 175.316 174.700 0.020 0.000 1.078 1242 T CA -0.301 61.783 62.100 -0.027 0.000 1.028 1242 T CB 2.175 71.011 68.868 -0.052 0.000 1.091 1242 T HN 0.187 nan 8.240 nan 0.000 0.457 1243 G N 1.302 110.167 108.800 0.108 0.000 2.611 1243 G HA2 0.596 4.556 3.960 -0.001 0.000 0.273 1243 G HA3 0.596 4.556 3.960 -0.001 0.000 0.273 1243 G C -0.638 174.237 174.900 -0.043 0.000 1.305 1243 G CA -0.469 44.757 45.100 0.209 0.000 1.010 1243 G HN 0.961 nan 8.290 nan 0.000 0.509 1244 T N -1.785 112.761 114.554 -0.015 0.000 2.853 1244 T HA 0.502 4.852 4.350 -0.001 0.000 0.311 1244 T C 1.130 175.807 174.700 -0.038 0.000 1.307 1244 T CA 0.260 62.199 62.100 -0.268 0.000 1.019 1244 T CB 1.655 70.490 68.868 -0.053 0.000 1.264 1244 T HN 0.728 nan 8.240 nan 0.000 0.497 1245 A N 1.122 123.854 122.820 -0.146 0.000 1.858 1245 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 1245 A C 2.111 179.766 177.584 0.118 0.000 1.190 1245 A CA 1.831 53.905 52.037 0.061 0.000 0.617 1245 A CB -0.514 18.460 19.000 -0.043 0.000 0.827 1245 A HN 0.768 nan 8.150 nan 0.000 0.443 1246 R N -1.277 119.249 120.500 0.044 0.000 2.073 1246 R HA -0.037 4.303 4.340 -0.001 0.000 0.229 1246 R C 2.261 178.683 176.300 0.204 0.000 1.120 1246 R CA 1.420 57.556 56.100 0.060 0.000 0.967 1246 R CB -0.309 29.915 30.300 -0.128 0.000 0.862 1246 R HN 0.605 nan 8.270 nan 0.000 0.436 1247 M N 0.148 119.861 119.600 0.189 0.000 2.286 1247 M HA -0.211 4.268 4.480 -0.001 0.000 0.262 1247 M C 1.888 178.413 176.300 0.375 0.000 1.071 1247 M CA 2.021 57.494 55.300 0.288 0.000 1.091 1247 M CB -0.147 32.605 32.600 0.253 0.000 1.260 1247 M HN 0.055 nan 8.290 nan 0.000 0.442 1248 V N 0.425 120.545 119.914 0.343 0.000 2.867 1248 V HA -0.250 3.869 4.120 -0.001 0.000 0.260 1248 V C 2.144 178.368 176.094 0.218 0.000 1.099 1248 V CA 2.106 64.577 62.300 0.286 0.000 1.122 1248 V CB -1.217 30.652 31.823 0.077 0.000 0.708 1248 V HN 0.619 nan 8.190 nan 0.000 0.490 1249 E N 0.856 121.210 120.200 0.256 0.000 2.072 1249 E HA -0.223 4.127 4.350 -0.001 0.000 0.191 1249 E C 2.355 179.145 176.600 0.316 0.000 0.985 1249 E CA 1.834 58.389 56.400 0.259 0.000 0.801 1249 E CB -0.136 29.825 29.700 0.435 0.000 0.750 1249 E HN 0.787 nan 8.360 nan 0.000 0.452 1250 T N -1.459 113.364 114.554 0.447 0.000 2.668 1250 T HA -0.212 4.138 4.350 -0.001 0.000 0.262 1250 T C 2.239 177.007 174.700 0.115 0.000 1.045 1250 T CA 2.187 64.525 62.100 0.397 0.000 1.152 1250 T CB -1.367 67.749 68.868 0.412 0.000 0.864 1250 T HN 0.293 nan 8.240 nan 0.000 0.419 1251 T N 0.799 115.449 114.554 0.160 0.000 2.869 1251 T HA 0.034 4.383 4.350 -0.001 0.000 0.270 1251 T C 2.162 176.819 174.700 -0.071 0.000 1.082 1251 T CA 1.508 63.629 62.100 0.034 0.000 1.123 1251 T CB -0.880 68.293 68.868 0.509 0.000 0.856 1251 T HN 0.591 nan 8.240 nan 0.000 0.499 1252 A N 0.012 122.800 122.820 -0.052 0.000 1.897 1252 A HA 0.112 4.431 4.320 -0.001 0.000 0.215 1252 A C 2.074 179.441 177.584 -0.362 0.000 1.181 1252 A CA 1.125 53.031 52.037 -0.218 0.000 0.620 1252 A CB -1.059 17.752 19.000 -0.314 0.000 0.821 1252 A HN 0.603 nan 8.150 nan 0.000 0.443 1253 Y N -0.078 120.069 120.300 -0.255 0.000 2.352 1253 Y HA -0.030 4.519 4.550 -0.001 0.000 0.292 1253 Y C 2.757 178.476 175.900 -0.301 0.000 1.136 1253 Y CA 0.676 58.581 58.100 -0.325 0.000 1.227 1253 Y CB -0.363 37.928 38.460 -0.283 0.000 0.991 1253 Y HN 0.349 nan 8.280 nan 0.000 0.545 1254 A N -0.613 122.004 122.820 -0.339 0.000 1.878 1254 A HA -0.063 4.257 4.320 -0.001 0.000 0.213 1254 A C 2.062 179.470 177.584 -0.293 0.000 1.192 1254 A CA 0.995 52.735 52.037 -0.495 0.000 0.619 1254 A CB -1.007 17.134 19.000 -1.432 0.000 0.837 1254 A HN 0.345 nan 8.150 nan 0.000 0.446 1255 L N 0.049 121.083 121.223 -0.316 0.000 2.129 1255 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 1255 L C 2.064 178.926 176.870 -0.013 0.000 1.087 1255 L CA 1.608 56.392 54.840 -0.094 0.000 0.757 1255 L CB -0.559 41.479 42.059 -0.035 0.000 0.896 1255 L HN 0.395 nan 8.230 nan 0.000 0.434 1256 L N -1.358 119.820 121.223 -0.075 0.000 2.072 1256 L HA -0.155 4.185 4.340 -0.001 0.000 0.205 1256 L C 2.329 179.380 176.870 0.300 0.000 1.079 1256 L CA 1.547 56.402 54.840 0.025 0.000 0.752 1256 L CB -0.965 40.828 42.059 -0.443 0.000 0.906 1256 L HN 0.348 nan 8.230 nan 0.000 0.436 1257 T N -1.475 113.258 114.554 0.300 0.000 2.595 1257 T HA -0.204 4.145 4.350 -0.001 0.000 0.264 1257 T C 2.073 176.908 174.700 0.226 0.000 1.058 1257 T CA 1.606 63.887 62.100 0.303 0.000 1.166 1257 T CB -0.531 68.472 68.868 0.225 0.000 0.863 1257 T HN 0.170 nan 8.240 nan 0.000 0.415 1258 S N 1.599 117.416 115.700 0.195 0.000 2.390 1258 S HA -0.123 4.347 4.470 -0.001 0.000 0.234 1258 S C 1.972 176.686 174.600 0.190 0.000 1.063 1258 S CA 1.369 59.700 58.200 0.220 0.000 1.108 1258 S CB -0.721 62.629 63.200 0.250 0.000 0.975 1258 S HN 0.373 nan 8.310 nan 0.000 0.442 1259 L N 1.309 122.638 121.223 0.176 0.000 2.376 1259 L HA -0.057 4.282 4.340 -0.001 0.000 0.219 1259 L C 2.288 179.230 176.870 0.120 0.000 1.133 1259 L CA 0.500 55.432 54.840 0.155 0.000 0.816 1259 L CB -0.476 41.683 42.059 0.166 0.000 0.933 1259 L HN 0.321 nan 8.230 nan 0.000 0.449 1260 N N 0.505 119.284 118.700 0.131 0.000 2.080 1260 N HA -0.095 4.644 4.740 -0.001 0.000 0.189 1260 N C 1.631 177.185 175.510 0.073 0.000 1.036 1260 N CA 1.245 54.341 53.050 0.077 0.000 0.846 1260 N CB -0.017 38.496 38.487 0.044 0.000 1.015 1260 N HN 0.316 nan 8.380 nan 0.000 0.423 1261 L N 1.360 122.655 121.223 0.120 0.000 2.645 1261 L HA 0.113 4.452 4.340 -0.001 0.000 0.235 1261 L C 0.293 177.222 176.870 0.097 0.000 1.150 1261 L CA 0.182 55.096 54.840 0.122 0.000 0.911 1261 L CB -0.154 42.018 42.059 0.189 0.000 1.077 1261 L HN 0.091 nan 8.230 nan 0.000 0.438 1262 K N -0.587 119.865 120.400 0.087 0.000 3.088 1262 K HA -0.251 4.069 4.320 -0.001 0.000 0.273 1262 K C 0.275 176.921 176.600 0.075 0.000 1.111 1262 K CA 0.791 57.115 56.287 0.063 0.000 0.803 1262 K CB -1.541 30.977 32.500 0.031 0.000 1.226 1262 K HN 0.331 nan 8.250 nan 0.000 0.485 1263 D N 1.326 121.797 120.400 0.119 0.000 2.644 1263 D HA 0.030 4.670 4.640 -0.001 0.000 0.252 1263 D C 1.421 177.813 176.300 0.154 0.000 1.254 1263 D CA 0.073 54.157 54.000 0.140 0.000 0.884 1263 D CB -0.365 40.560 40.800 0.209 0.000 1.034 1263 D HN 0.374 nan 8.370 nan 0.000 0.473 1264 I N 0.158 120.791 120.570 0.105 0.000 2.444 1264 I HA -0.398 3.771 4.170 -0.001 0.000 0.264 1264 I C 1.948 178.136 176.117 0.118 0.000 1.098 1264 I CA 0.977 62.333 61.300 0.094 0.000 1.415 1264 I CB -0.298 37.715 38.000 0.022 0.000 1.093 1264 I HN 0.124 nan 8.210 nan 0.000 0.456 1265 N N -1.154 117.620 118.700 0.123 0.000 2.414 1265 N HA -0.066 4.674 4.740 -0.001 0.000 0.177 1265 N C 1.639 177.259 175.510 0.184 0.000 1.062 1265 N CA 0.337 53.452 53.050 0.108 0.000 0.890 1265 N CB 0.011 38.532 38.487 0.057 0.000 1.070 1265 N HN 0.277 nan 8.380 nan 0.000 0.454 1266 Y N 1.560 121.896 120.300 0.061 0.000 2.274 1266 Y HA -0.035 4.515 4.550 -0.001 0.000 0.290 1266 Y C 2.015 177.985 175.900 0.117 0.000 1.145 1266 Y CA 0.799 58.943 58.100 0.073 0.000 1.203 1266 Y CB -0.315 38.204 38.460 0.098 0.000 0.984 1266 Y HN -0.200 nan 8.280 nan 0.000 0.533 1267 V N 0.456 120.487 119.914 0.195 0.000 2.535 1267 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 1267 V C 1.906 178.083 176.094 0.139 0.000 1.045 1267 V CA 1.420 63.807 62.300 0.147 0.000 1.058 1267 V CB -0.491 31.490 31.823 0.264 0.000 0.689 1267 V HN 0.389 nan 8.190 nan 0.000 0.461 1268 N N 1.051 119.859 118.700 0.179 0.000 2.396 1268 N HA -0.143 4.596 4.740 -0.001 0.000 0.191 1268 N C -1.345 174.276 175.510 0.185 0.000 1.015 1268 N CA 1.521 54.678 53.050 0.177 0.000 0.893 1268 N CB -0.864 37.638 38.487 0.026 0.000 0.956 1268 N HN 0.492 nan 8.380 nan 0.000 0.445 1269 P HA 0.246 nan 4.420 nan 0.000 0.315 1269 P C 0.973 178.343 177.300 0.117 0.000 1.452 1269 P CA -0.003 63.142 63.100 0.074 0.000 1.277 1269 P CB 1.015 32.698 31.700 -0.028 0.000 1.615 1270 V N 0.826 120.813 119.914 0.122 0.000 2.341 1270 V HA -0.086 4.034 4.120 -0.001 0.000 0.240 1270 V C 1.990 178.270 176.094 0.311 0.000 1.035 1270 V CA 1.485 63.921 62.300 0.226 0.000 1.033 1270 V CB -0.622 31.322 31.823 0.200 0.000 0.678 1270 V HN 0.048 nan 8.190 nan 0.000 0.464 1271 I N -0.018 120.614 120.570 0.103 0.000 3.456 1271 I HA 0.012 4.182 4.170 -0.001 0.000 0.291 1271 I C 1.778 177.896 176.117 0.001 0.000 1.307 1271 I CA 1.334 62.612 61.300 -0.036 0.000 1.333 1271 I CB -0.848 36.873 38.000 -0.465 0.000 1.032 1271 I HN 0.214 nan 8.210 nan 0.000 0.506 1272 K N -0.057 120.438 120.400 0.158 0.000 2.361 1272 K HA -0.090 4.230 4.320 -0.001 0.000 0.196 1272 K C 1.652 178.456 176.600 0.340 0.000 1.039 1272 K CA 0.841 57.206 56.287 0.131 0.000 1.001 1272 K CB -0.445 32.136 32.500 0.134 0.000 0.795 1272 K HN 0.589 nan 8.250 nan 0.000 0.495 1273 W N -0.114 121.311 121.300 0.209 0.000 2.808 1273 W HA 0.238 4.897 4.660 -0.001 0.000 0.266 1273 W C 0.846 177.408 176.519 0.071 0.000 1.247 1273 W CA -0.160 57.313 57.345 0.213 0.000 1.440 1273 W CB 0.375 30.047 29.460 0.353 0.000 1.040 1273 W HN -0.076 nan 8.180 nan 0.000 0.606 1274 L N 0.215 121.489 121.223 0.085 0.000 2.072 1274 L HA -0.171 4.168 4.340 -0.001 0.000 0.205 1274 L C 2.667 179.424 176.870 -0.188 0.000 1.079 1274 L CA 1.699 56.420 54.840 -0.197 0.000 0.752 1274 L CB -1.078 40.969 42.059 -0.020 0.000 0.906 1274 L HN 0.006 nan 8.230 nan 0.000 0.436 1275 S N -0.039 115.607 115.700 -0.091 0.000 2.365 1275 S HA -0.247 4.222 4.470 -0.001 0.000 0.225 1275 S C 1.751 176.313 174.600 -0.063 0.000 1.039 1275 S CA 1.782 59.940 58.200 -0.069 0.000 1.033 1275 S CB -0.090 63.048 63.200 -0.102 0.000 0.887 1275 S HN 0.455 nan 8.310 nan 0.000 0.447 1276 E N -0.159 119.975 120.200 -0.110 0.000 2.152 1276 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 1276 E C 2.135 178.646 176.600 -0.148 0.000 0.983 1276 E CA 0.945 57.271 56.400 -0.124 0.000 0.818 1276 E CB -0.141 29.517 29.700 -0.071 0.000 0.758 1276 E HN 0.446 nan 8.360 nan 0.000 0.467 1277 E N 1.008 121.007 120.200 -0.336 0.000 2.031 1277 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 1277 E C 0.312 176.737 176.600 -0.290 0.000 0.994 1277 E CA 0.678 56.813 56.400 -0.441 0.000 0.800 1277 E CB 0.006 29.245 29.700 -0.768 0.000 0.752 1277 E HN -0.005 nan 8.360 nan 0.000 0.447 1278 Q N 1.239 120.926 119.800 -0.188 0.000 2.348 1278 Q HA -0.065 4.274 4.340 -0.001 0.000 0.331 1278 Q C -0.311 175.571 176.000 -0.197 0.000 1.099 1278 Q CA 0.950 56.665 55.803 -0.146 0.000 1.021 1278 Q CB 0.210 28.911 28.738 -0.061 0.000 1.166 1278 Q HN 0.174 nan 8.270 nan 0.000 0.393 1279 R N 2.264 122.606 120.500 -0.262 0.000 2.346 1279 R HA 0.176 4.515 4.340 -0.001 0.000 0.311 1279 R C -0.292 175.807 176.300 -0.335 0.000 0.983 1279 R CA -0.814 55.104 56.100 -0.303 0.000 0.880 1279 R CB 0.989 31.102 30.300 -0.312 0.000 1.100 1279 R HN 0.672 nan 8.270 nan 0.000 0.453 1280 Y N 2.080 122.055 120.300 -0.542 0.000 2.896 1280 Y HA -0.332 4.217 4.550 -0.001 0.000 0.387 1280 Y C 1.208 176.954 175.900 -0.258 0.000 1.183 1280 Y CA 1.179 59.029 58.100 -0.417 0.000 1.595 1280 Y CB 0.113 38.459 38.460 -0.191 0.000 1.063 1280 Y HN 1.042 nan 8.280 nan 0.000 0.544 1281 G N 2.735 111.513 108.800 -0.036 0.000 2.268 1281 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.240 1281 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.240 1281 G C 0.252 175.071 174.900 -0.136 0.000 1.010 1281 G CA -0.118 44.866 45.100 -0.194 0.000 0.618 1281 G HN 1.939 nan 8.290 nan 0.000 0.516 1282 G N -2.023 106.695 108.800 -0.136 0.000 2.328 1282 G HA2 0.565 4.525 3.960 -0.001 0.000 0.295 1282 G HA3 0.565 4.525 3.960 -0.001 0.000 0.295 1282 G C 0.403 175.261 174.900 -0.069 0.000 1.413 1282 G CA 0.716 45.767 45.100 -0.082 0.000 0.817 1282 G HN 1.574 nan 8.290 nan 0.000 0.546 1283 G N -0.196 108.575 108.800 -0.048 0.000 3.337 1283 G HA2 0.328 4.287 3.960 -0.001 0.000 0.226 1283 G HA3 0.328 4.287 3.960 -0.001 0.000 0.226 1283 G C 1.161 176.020 174.900 -0.069 0.000 1.295 1283 G CA 0.962 46.021 45.100 -0.067 0.000 1.427 1283 G HN 0.940 nan 8.290 nan 0.000 0.535 1284 F N 0.864 120.676 119.950 -0.231 0.000 2.494 1284 F HA -0.334 4.192 4.527 -0.001 0.000 0.250 1284 F C 1.032 176.802 175.800 -0.050 0.000 1.233 1284 F CA 1.175 59.065 58.000 -0.184 0.000 1.682 1284 F CB -1.117 37.706 39.000 -0.295 0.000 0.705 1284 F HN 0.337 nan 8.300 nan 0.000 0.456 1285 Y N 1.835 122.073 120.300 -0.102 0.000 2.802 1285 Y HA 0.288 4.838 4.550 -0.001 0.000 0.333 1285 Y C 1.060 176.821 175.900 -0.232 0.000 1.244 1285 Y CA 0.271 58.221 58.100 -0.250 0.000 1.558 1285 Y CB -0.737 37.674 38.460 -0.082 0.000 1.233 1285 Y HN 0.529 nan 8.280 nan 0.000 0.547 1286 S N 1.422 117.015 115.700 -0.179 0.000 2.813 1286 S HA -0.321 4.148 4.470 -0.001 0.000 0.631 1286 S C 1.416 175.952 174.600 -0.107 0.000 3.178 1286 S CA 2.120 60.195 58.200 -0.209 0.000 3.497 1286 S CB -1.002 62.118 63.200 -0.132 0.000 0.324 1286 S HN 1.061 nan 8.310 nan 0.000 1.724 1287 T N -2.326 112.211 114.554 -0.027 0.000 3.286 1287 T HA 0.236 4.585 4.350 -0.001 0.000 0.237 1287 T C 1.718 176.526 174.700 0.180 0.000 0.969 1287 T CA 0.695 62.844 62.100 0.082 0.000 1.298 1287 T CB -0.840 68.112 68.868 0.140 0.000 1.053 1287 T HN 0.554 nan 8.240 nan 0.000 0.402 1288 Q N 2.066 122.023 119.800 0.261 0.000 2.197 1288 Q HA -0.208 4.132 4.340 -0.001 0.000 0.211 1288 Q C 2.136 178.276 176.000 0.232 0.000 0.993 1288 Q CA 2.317 58.329 55.803 0.347 0.000 0.883 1288 Q CB -0.599 28.374 28.738 0.392 0.000 0.916 1288 Q HN 0.886 nan 8.270 nan 0.000 0.418 1289 D N -1.359 119.140 120.400 0.165 0.000 2.085 1289 D HA -0.106 4.534 4.640 -0.001 0.000 0.199 1289 D C 1.265 177.579 176.300 0.024 0.000 0.981 1289 D CA 1.393 55.437 54.000 0.073 0.000 0.834 1289 D CB -0.600 40.266 40.800 0.109 0.000 0.992 1289 D HN 0.061 nan 8.370 nan 0.000 0.457 1290 T N 0.995 115.579 114.554 0.051 0.000 3.139 1290 T HA -0.011 4.339 4.350 -0.001 0.000 0.267 1290 T C 1.777 176.526 174.700 0.083 0.000 1.164 1290 T CA 0.248 62.371 62.100 0.037 0.000 1.075 1290 T CB -0.181 68.696 68.868 0.015 0.000 0.904 1290 T HN 0.312 nan 8.240 nan 0.000 0.540 1291 I N 0.259 120.900 120.570 0.118 0.000 2.556 1291 I HA -0.022 4.148 4.170 -0.001 0.000 0.251 1291 I C 1.873 178.091 176.117 0.168 0.000 1.105 1291 I CA 0.619 62.025 61.300 0.177 0.000 1.436 1291 I CB 0.142 38.268 38.000 0.210 0.000 1.139 1291 I HN 0.007 nan 8.210 nan 0.000 0.438 1292 N N 2.185 120.868 118.700 -0.027 0.000 2.043 1292 N HA -0.183 4.557 4.740 -0.001 0.000 0.193 1292 N C 1.971 177.382 175.510 -0.166 0.000 1.037 1292 N CA 1.857 54.767 53.050 -0.233 0.000 0.851 1292 N CB -0.713 37.429 38.487 -0.575 0.000 1.027 1292 N HN 0.501 nan 8.380 nan 0.000 0.422 1293 A N 1.753 124.506 122.820 -0.113 0.000 1.948 1293 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 1293 A C 2.181 179.751 177.584 -0.023 0.000 1.177 1293 A CA 1.147 53.139 52.037 -0.075 0.000 0.636 1293 A CB -0.474 18.492 19.000 -0.056 0.000 0.815 1293 A HN 0.186 nan 8.150 nan 0.000 0.449 1294 I N -0.606 120.003 120.570 0.065 0.000 2.500 1294 I HA -0.136 4.033 4.170 -0.001 0.000 0.252 1294 I C 2.383 178.517 176.117 0.028 0.000 1.142 1294 I CA 1.531 62.921 61.300 0.150 0.000 1.451 1294 I CB -1.198 36.986 38.000 0.307 0.000 1.093 1294 I HN 0.625 nan 8.210 nan 0.000 0.430 1295 E N 1.484 121.629 120.200 -0.092 0.000 2.051 1295 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 1295 E C 2.188 178.608 176.600 -0.300 0.000 0.991 1295 E CA 1.425 57.461 56.400 -0.607 0.000 0.799 1295 E CB -0.254 29.220 29.700 -0.377 0.000 0.748 1295 E HN 0.379 nan 8.360 nan 0.000 0.449 1296 G N 1.677 110.378 108.800 -0.166 0.000 2.900 1296 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.212 1296 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.212 1296 G C 1.379 176.275 174.900 -0.007 0.000 1.359 1296 G CA 1.297 46.354 45.100 -0.071 0.000 0.800 1296 G HN 0.316 nan 8.290 nan 0.000 0.680 1297 L N 1.070 122.291 121.223 -0.003 0.000 2.483 1297 L HA -0.162 4.178 4.340 -0.001 0.000 0.224 1297 L C 2.955 179.896 176.870 0.118 0.000 1.135 1297 L CA 2.016 56.881 54.840 0.041 0.000 0.790 1297 L CB -0.324 41.744 42.059 0.015 0.000 0.911 1297 L HN 0.381 nan 8.230 nan 0.000 0.445 1298 T N -2.763 111.836 114.554 0.074 0.000 2.904 1298 T HA -0.072 4.278 4.350 -0.001 0.000 0.243 1298 T C 1.682 176.438 174.700 0.094 0.000 1.024 1298 T CA 0.517 62.694 62.100 0.128 0.000 1.158 1298 T CB -0.102 68.799 68.868 0.054 0.000 0.867 1298 T HN 0.074 nan 8.240 nan 0.000 0.429 1299 E N 0.903 121.120 120.200 0.027 0.000 2.114 1299 E HA -0.188 4.161 4.350 -0.001 0.000 0.199 1299 E C 1.764 178.406 176.600 0.070 0.000 1.008 1299 E CA 1.450 57.876 56.400 0.044 0.000 0.810 1299 E CB -0.463 29.251 29.700 0.023 0.000 0.739 1299 E HN 0.671 nan 8.360 nan 0.000 0.456 1300 Y N -0.434 119.868 120.300 0.003 0.000 2.242 1300 Y HA -0.113 4.436 4.550 -0.001 0.000 0.291 1300 Y C 2.339 178.253 175.900 0.023 0.000 1.137 1300 Y CA 1.648 59.764 58.100 0.025 0.000 1.181 1300 Y CB -0.249 38.241 38.460 0.051 0.000 0.989 1300 Y HN -0.034 nan 8.280 nan 0.000 0.527 1301 S N 0.068 115.914 115.700 0.244 0.000 2.555 1301 S HA -0.004 4.466 4.470 -0.001 0.000 0.230 1301 S C 1.740 176.280 174.600 -0.101 0.000 0.978 1301 S CA 0.526 58.797 58.200 0.118 0.000 0.934 1301 S CB -0.315 63.033 63.200 0.246 0.000 0.766 1301 S HN 0.508 nan 8.310 nan 0.000 0.533 1302 L N 0.405 121.546 121.223 -0.136 0.000 2.202 1302 L HA 0.110 4.449 4.340 -0.001 0.000 0.205 1302 L C 2.168 178.926 176.870 -0.187 0.000 1.083 1302 L CA 0.637 55.352 54.840 -0.208 0.000 0.790 1302 L CB -0.139 41.814 42.059 -0.178 0.000 0.942 1302 L HN 0.331 nan 8.230 nan 0.000 0.452 1303 L N -0.262 120.847 121.223 -0.190 0.000 2.034 1303 L HA 0.022 4.361 4.340 -0.001 0.000 0.203 1303 L C 1.633 178.359 176.870 -0.240 0.000 1.074 1303 L CA 1.102 55.828 54.840 -0.190 0.000 0.748 1303 L CB -0.263 41.703 42.059 -0.155 0.000 0.905 1303 L HN -0.102 nan 8.230 nan 0.000 0.439 1304 V N 0.593 120.266 119.914 -0.400 0.000 3.976 1304 V HA -0.100 4.019 4.120 -0.001 0.000 0.288 1304 V C 0.494 176.465 176.094 -0.205 0.000 1.047 1304 V CA 0.230 62.324 62.300 -0.343 0.000 1.072 1304 V CB -0.155 31.352 31.823 -0.526 0.000 1.191 1304 V HN 0.310 nan 8.190 nan 0.000 0.464 1305 K N -0.491 119.827 120.400 -0.137 0.000 2.375 1305 K HA 0.391 4.711 4.320 -0.001 0.000 0.249 1305 K C -0.605 175.963 176.600 -0.054 0.000 0.942 1305 K CA -0.608 55.624 56.287 -0.091 0.000 0.806 1305 K CB 1.701 34.156 32.500 -0.075 0.000 1.227 1305 K HN 0.656 nan 8.250 nan 0.000 0.430 1306 Q N 1.726 121.498 119.800 -0.046 0.000 2.421 1306 Q HA 0.175 4.514 4.340 -0.001 0.000 0.255 1306 Q C -0.810 175.165 176.000 -0.041 0.000 1.013 1306 Q CA -0.025 55.753 55.803 -0.042 0.000 0.895 1306 Q CB 0.520 29.213 28.738 -0.074 0.000 1.271 1306 Q HN 0.297 nan 8.270 nan 0.000 0.460 1307 L N 1.989 123.184 121.223 -0.047 0.000 2.445 1307 L HA 0.360 4.699 4.340 -0.001 0.000 0.252 1307 L C -0.154 176.670 176.870 -0.076 0.000 1.105 1307 L CA -0.508 54.306 54.840 -0.044 0.000 0.943 1307 L CB 0.650 42.702 42.059 -0.012 0.000 1.277 1307 L HN 0.460 nan 8.230 nan 0.000 0.465 1308 R N 2.066 122.521 120.500 -0.075 0.000 3.342 1308 R HA -0.104 4.235 4.340 -0.001 0.000 0.216 1308 R C -0.595 175.646 176.300 -0.100 0.000 0.720 1308 R CA 0.310 56.359 56.100 -0.085 0.000 0.995 1308 R CB 0.153 30.421 30.300 -0.053 0.000 0.982 1308 R HN 0.602 nan 8.270 nan 0.000 0.358 1309 L N 3.675 124.819 121.223 -0.132 0.000 2.439 1309 L HA 0.096 4.436 4.340 -0.001 0.000 0.269 1309 L C 1.014 177.834 176.870 -0.083 0.000 1.179 1309 L CA 0.620 55.382 54.840 -0.130 0.000 0.828 1309 L CB 1.352 43.304 42.059 -0.179 0.000 1.106 1309 L HN 0.890 nan 8.230 nan 0.000 0.467 1310 S N 1.700 117.349 115.700 -0.086 0.000 2.814 1310 S HA 0.195 4.664 4.470 -0.001 0.000 0.193 1310 S C 0.006 174.558 174.600 -0.080 0.000 0.786 1310 S CA -0.551 57.613 58.200 -0.061 0.000 0.913 1310 S CB -0.066 63.108 63.200 -0.044 0.000 1.543 1310 S HN 0.536 nan 8.310 nan 0.000 0.552 1311 M N 1.556 121.094 119.600 -0.103 0.000 1.660 1311 M HA 0.176 4.655 4.480 -0.001 0.000 0.087 1311 M C 0.428 176.667 176.300 -0.101 0.000 1.027 1311 M CA 1.348 56.574 55.300 -0.122 0.000 0.369 1311 M CB 0.168 32.682 32.600 -0.143 0.000 0.671 1311 M HN 0.298 nan 8.290 nan 0.000 0.199 1312 D N -0.173 120.151 120.400 -0.128 0.000 3.937 1312 D HA 0.202 4.842 4.640 -0.001 0.000 0.250 1312 D C -1.062 175.146 176.300 -0.154 0.000 1.434 1312 D CA -0.054 53.881 54.000 -0.109 0.000 0.834 1312 D CB -0.008 40.765 40.800 -0.045 0.000 1.395 1312 D HN 0.359 nan 8.370 nan 0.000 0.778 1313 I N 0.054 120.451 120.570 -0.288 0.000 3.112 1313 I HA 0.191 4.360 4.170 -0.001 0.000 0.284 1313 I C 0.526 176.506 176.117 -0.229 0.000 1.227 1313 I CA 0.415 61.531 61.300 -0.308 0.000 1.369 1313 I CB 0.568 38.272 38.000 -0.494 0.000 1.376 1313 I HN 0.119 nan 8.210 nan 0.000 0.608 1314 D N 3.282 123.575 120.400 -0.178 0.000 2.452 1314 D HA 0.170 4.809 4.640 -0.001 0.000 0.226 1314 D C -1.463 174.744 176.300 -0.155 0.000 1.366 1314 D CA -0.259 53.655 54.000 -0.143 0.000 0.986 1314 D CB 2.060 42.811 40.800 -0.082 0.000 1.420 1314 D HN 0.283 nan 8.370 nan 0.000 0.583 1315 V N 2.704 122.477 119.914 -0.235 0.000 2.834 1315 V HA 0.737 4.857 4.120 -0.001 0.000 0.301 1315 V C -0.460 175.498 176.094 -0.226 0.000 1.066 1315 V CA 0.402 62.563 62.300 -0.232 0.000 1.052 1315 V CB 1.538 33.181 31.823 -0.300 0.000 1.021 1315 V HN 0.631 nan 8.190 nan 0.000 0.480 1316 S N 2.944 118.505 115.700 -0.233 0.000 2.580 1316 S HA 0.479 4.949 4.470 -0.001 0.000 0.281 1316 S C -1.554 172.902 174.600 -0.240 0.000 1.129 1316 S CA -0.583 57.498 58.200 -0.198 0.000 0.862 1316 S CB 0.883 64.043 63.200 -0.068 0.000 1.090 1316 S HN 0.623 nan 8.310 nan 0.000 0.451 1317 Y N 2.266 122.583 120.300 0.029 0.000 2.326 1317 Y HA 0.294 4.844 4.550 -0.001 0.000 0.333 1317 Y C 1.638 177.535 175.900 -0.004 0.000 1.240 1317 Y CA -0.032 58.094 58.100 0.044 0.000 1.365 1317 Y CB 0.637 39.137 38.460 0.068 0.000 1.289 1317 Y HN 0.812 nan 8.280 nan 0.000 0.548 1318 K N 0.611 121.082 120.400 0.119 0.000 2.057 1318 K HA -0.188 4.131 4.320 -0.001 0.000 0.207 1318 K C 0.618 177.016 176.600 -0.337 0.000 1.049 1318 K CA 2.251 58.434 56.287 -0.173 0.000 0.931 1318 K CB -0.038 32.281 32.500 -0.302 0.000 0.714 1318 K HN 0.867 nan 8.250 nan 0.000 0.440 1319 H N -1.651 117.479 119.070 0.100 0.000 2.657 1319 H HA 0.226 4.781 4.556 -0.001 0.000 0.262 1319 H C -0.103 175.259 175.328 0.055 0.000 0.965 1319 H CA -0.205 55.877 56.048 0.057 0.000 1.184 1319 H CB 0.050 29.826 29.762 0.025 0.000 1.443 1319 H HN -0.081 nan 8.280 nan 0.000 0.462 1320 K N 2.214 122.729 120.400 0.192 0.000 2.469 1320 K HA 0.115 4.434 4.320 -0.001 0.000 0.274 1320 K C 0.842 177.524 176.600 0.138 0.000 0.983 1320 K CA 0.384 56.726 56.287 0.092 0.000 0.974 1320 K CB 0.168 32.619 32.500 -0.083 0.000 0.913 1320 K HN 0.317 nan 8.250 nan 0.000 0.493 1321 G N 1.722 110.576 108.800 0.091 0.000 2.794 1321 G HA2 0.275 4.235 3.960 -0.001 0.000 0.249 1321 G HA3 0.275 4.235 3.960 -0.001 0.000 0.249 1321 G C -0.588 174.409 174.900 0.161 0.000 1.236 1321 G CA -0.091 45.069 45.100 0.100 0.000 0.880 1321 G HN 0.895 nan 8.290 nan 0.000 0.586 1322 A N -0.394 122.498 122.820 0.120 0.000 2.440 1322 A HA 0.480 4.800 4.320 -0.001 0.000 0.251 1322 A C 0.342 178.019 177.584 0.156 0.000 1.089 1322 A CA -0.290 51.818 52.037 0.118 0.000 0.779 1322 A CB 0.602 19.642 19.000 0.066 0.000 1.022 1322 A HN 0.941 nan 8.150 nan 0.000 0.492 1323 L N 2.474 123.790 121.223 0.155 0.000 2.642 1323 L HA 0.463 4.802 4.340 -0.001 0.000 0.229 1323 L C 1.031 177.957 176.870 0.094 0.000 1.179 1323 L CA -0.067 54.869 54.840 0.160 0.000 0.834 1323 L CB 0.178 42.297 42.059 0.100 0.000 1.515 1323 L HN 0.918 nan 8.230 nan 0.000 0.512 1324 H N 0.234 119.348 119.070 0.072 0.000 2.871 1324 H HA 0.301 4.856 4.556 -0.001 0.000 0.377 1324 H C -0.788 174.619 175.328 0.132 0.000 1.307 1324 H CA 0.176 56.276 56.048 0.087 0.000 1.449 1324 H CB -0.102 29.695 29.762 0.060 0.000 1.452 1324 H HN 0.656 nan 8.280 nan 0.000 0.619 1325 N N 0.836 119.671 118.700 0.225 0.000 2.554 1325 N HA 0.168 4.907 4.740 -0.001 0.000 0.271 1325 N C -1.945 173.756 175.510 0.319 0.000 1.081 1325 N CA -0.874 52.275 53.050 0.166 0.000 0.994 1325 N CB 1.485 39.998 38.487 0.043 0.000 1.641 1325 N HN 0.872 nan 8.380 nan 0.000 0.511 1326 Y N -1.033 119.308 120.300 0.069 0.000 2.433 1326 Y HA 0.500 5.049 4.550 -0.001 0.000 0.337 1326 Y C -0.499 175.434 175.900 0.054 0.000 1.026 1326 Y CA -1.181 56.968 58.100 0.081 0.000 1.037 1326 Y CB 1.527 40.060 38.460 0.122 0.000 1.245 1326 Y HN 0.442 nan 8.280 nan 0.000 0.443 1327 K N 5.151 125.615 120.400 0.106 0.000 2.402 1327 K HA 0.167 4.487 4.320 -0.001 0.000 0.285 1327 K C -0.226 176.425 176.600 0.084 0.000 1.054 1327 K CA -0.127 56.182 56.287 0.037 0.000 1.001 1327 K CB 0.451 32.984 32.500 0.056 0.000 0.946 1327 K HN 0.940 nan 8.250 nan 0.000 0.473 1328 M N 4.005 123.605 119.600 0.001 0.000 2.247 1328 M HA 0.207 4.686 4.480 -0.001 0.000 0.326 1328 M C -0.334 176.010 176.300 0.073 0.000 1.134 1328 M CA 0.444 55.788 55.300 0.074 0.000 1.136 1328 M CB 0.988 33.584 32.600 -0.006 0.000 1.454 1328 M HN 0.930 nan 8.290 nan 0.000 0.467 1329 T N -1.588 113.037 114.554 0.119 0.000 2.663 1329 T HA 0.263 4.613 4.350 -0.001 0.000 0.297 1329 T C -0.435 174.345 174.700 0.134 0.000 1.505 1329 T CA -0.798 61.352 62.100 0.082 0.000 1.024 1329 T CB 0.328 69.246 68.868 0.084 0.000 1.865 1329 T HN 0.608 nan 8.240 nan 0.000 0.453 1330 D N 0.216 120.679 120.400 0.106 0.000 2.340 1330 D HA 0.140 4.780 4.640 -0.001 0.000 0.220 1330 D C 1.285 177.733 176.300 0.246 0.000 1.039 1330 D CA 0.073 54.176 54.000 0.173 0.000 0.866 1330 D CB 0.262 41.081 40.800 0.031 0.000 0.913 1330 D HN 0.229 nan 8.370 nan 0.000 0.523 1331 K N 1.471 122.003 120.400 0.220 0.000 1.965 1331 K HA -0.028 4.291 4.320 -0.001 0.000 0.214 1331 K C 1.217 178.030 176.600 0.355 0.000 1.042 1331 K CA 0.673 57.132 56.287 0.286 0.000 0.950 1331 K CB -0.753 31.906 32.500 0.264 0.000 0.733 1331 K HN 0.267 nan 8.250 nan 0.000 0.441 1332 N N 0.229 119.088 118.700 0.264 0.000 2.430 1332 N HA 0.126 4.866 4.740 -0.001 0.000 0.292 1332 N C -0.133 175.545 175.510 0.279 0.000 1.051 1332 N CA -0.249 52.912 53.050 0.185 0.000 0.917 1332 N CB 1.485 40.058 38.487 0.143 0.000 1.164 1332 N HN 0.162 nan 8.380 nan 0.000 0.484 1333 F N 0.296 120.304 119.950 0.097 0.000 2.897 1333 F HA 0.330 4.856 4.527 -0.001 0.000 0.377 1333 F C 0.192 176.036 175.800 0.074 0.000 0.917 1333 F CA -0.520 57.528 58.000 0.081 0.000 1.079 1333 F CB 0.236 39.253 39.000 0.029 0.000 1.068 1333 F HN 0.152 nan 8.300 nan 0.000 0.581 1334 L N 2.733 123.781 121.223 -0.292 0.000 2.715 1334 L HA 0.377 4.717 4.340 -0.001 0.000 0.238 1334 L C 1.327 178.169 176.870 -0.047 0.000 1.212 1334 L CA 0.533 55.282 54.840 -0.150 0.000 1.017 1334 L CB -1.821 40.075 42.059 -0.271 0.000 1.269 1334 L HN 0.339 nan 8.230 nan 0.000 0.452 1335 G N 1.711 110.513 108.800 0.003 0.000 3.255 1335 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.249 1335 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.249 1335 G C 0.552 175.411 174.900 -0.069 0.000 1.269 1335 G CA -0.387 44.686 45.100 -0.045 0.000 0.904 1335 G HN 0.660 nan 8.290 nan 0.000 0.627 1336 R N 0.486 120.903 120.500 -0.138 0.000 2.623 1336 R HA 0.326 4.665 4.340 -0.001 0.000 0.271 1336 R C -2.368 173.870 176.300 -0.103 0.000 1.043 1336 R CA -0.820 55.207 56.100 -0.121 0.000 1.083 1336 R CB -0.525 29.662 30.300 -0.188 0.000 0.974 1336 R HN 0.259 nan 8.270 nan 0.000 0.436 1337 P HA 0.146 nan 4.420 nan 0.000 0.280 1337 P C -0.887 176.367 177.300 -0.078 0.000 1.278 1337 P CA -0.530 62.531 63.100 -0.066 0.000 0.787 1337 P CB 0.558 32.289 31.700 0.051 0.000 1.163 1338 V N -0.388 119.486 119.914 -0.066 0.000 2.823 1338 V HA 0.109 4.228 4.120 -0.001 0.000 0.296 1338 V C -0.844 175.244 176.094 -0.010 0.000 1.250 1338 V CA -0.550 61.733 62.300 -0.028 0.000 0.939 1338 V CB 1.965 33.788 31.823 -0.001 0.000 1.062 1338 V HN 0.471 nan 8.190 nan 0.000 0.433 1339 E N 2.856 123.068 120.200 0.021 0.000 2.259 1339 E HA 0.429 4.779 4.350 -0.001 0.000 0.281 1339 E C -0.627 176.013 176.600 0.067 0.000 1.027 1339 E CA -0.457 55.965 56.400 0.036 0.000 0.838 1339 E CB 2.079 31.812 29.700 0.054 0.000 1.066 1339 E HN 0.431 nan 8.360 nan 0.000 0.401 1340 V N 6.177 126.128 119.914 0.062 0.000 2.387 1340 V HA -0.058 4.061 4.120 -0.001 0.000 0.260 1340 V C 1.104 177.309 176.094 0.185 0.000 1.054 1340 V CA 0.014 62.397 62.300 0.139 0.000 0.967 1340 V CB 0.118 31.998 31.823 0.095 0.000 1.036 1340 V HN 0.692 nan 8.190 nan 0.000 0.481 1341 L N 5.165 126.520 121.223 0.221 0.000 1.909 1341 L HA 0.046 4.385 4.340 -0.001 0.000 0.216 1341 L C 1.384 178.351 176.870 0.161 0.000 1.097 1341 L CA 1.438 56.371 54.840 0.155 0.000 0.777 1341 L CB -0.911 41.213 42.059 0.108 0.000 0.887 1341 L HN 0.431 nan 8.230 nan 0.000 0.432 1342 L N 0.033 121.292 121.223 0.060 0.000 2.295 1342 L HA -0.110 4.229 4.340 -0.001 0.000 0.233 1342 L C 0.584 177.513 176.870 0.099 0.000 1.227 1342 L CA 0.381 55.182 54.840 -0.065 0.000 0.815 1342 L CB -0.391 41.409 42.059 -0.431 0.000 1.111 1342 L HN 0.364 nan 8.230 nan 0.000 0.613 1343 N N 0.295 118.974 118.700 -0.035 0.000 2.936 1343 N HA 0.249 4.989 4.740 -0.001 0.000 0.243 1343 N C -1.183 174.192 175.510 -0.225 0.000 1.149 1343 N CA -0.192 52.751 53.050 -0.178 0.000 0.914 1343 N CB 0.678 38.961 38.487 -0.340 0.000 1.179 1343 N HN 0.495 nan 8.380 nan 0.000 0.502 1344 D N 0.359 120.826 120.400 0.112 0.000 2.664 1344 D HA 0.299 4.938 4.640 -0.001 0.000 0.292 1344 D C -1.443 175.112 176.300 0.425 0.000 1.214 1344 D CA -0.334 53.826 54.000 0.266 0.000 0.932 1344 D CB 1.856 42.912 40.800 0.428 0.000 1.420 1344 D HN 0.133 nan 8.370 nan 0.000 0.471 1345 D N 0.361 120.963 120.400 0.336 0.000 2.175 1345 D HA 0.427 5.066 4.640 -0.001 0.000 0.248 1345 D C -0.345 176.065 176.300 0.184 0.000 1.047 1345 D CA -0.385 53.774 54.000 0.265 0.000 0.883 1345 D CB 1.386 42.296 40.800 0.183 0.000 1.180 1345 D HN 0.057 nan 8.370 nan 0.000 0.438 1346 L N 1.921 123.241 121.223 0.161 0.000 2.387 1346 L HA 0.621 4.961 4.340 -0.001 0.000 0.266 1346 L C -0.831 176.088 176.870 0.081 0.000 1.059 1346 L CA -0.530 54.359 54.840 0.083 0.000 0.801 1346 L CB 0.941 43.055 42.059 0.091 0.000 1.223 1346 L HN 0.455 nan 8.230 nan 0.000 0.456 1347 I N 2.363 122.947 120.570 0.022 0.000 2.605 1347 I HA 0.265 4.434 4.170 -0.001 0.000 0.276 1347 I C -0.788 175.323 176.117 -0.010 0.000 1.161 1347 I CA -0.862 60.441 61.300 0.006 0.000 1.064 1347 I CB 1.136 39.114 38.000 -0.037 0.000 1.238 1347 I HN 0.102 nan 8.210 nan 0.000 0.487 1348 V N 3.802 123.753 119.914 0.061 0.000 2.763 1348 V HA 0.340 4.459 4.120 -0.001 0.000 0.306 1348 V C 0.880 176.960 176.094 -0.024 0.000 1.059 1348 V CA 0.440 62.749 62.300 0.015 0.000 1.138 1348 V CB 1.123 33.004 31.823 0.096 0.000 0.940 1348 V HN 0.984 nan 8.190 nan 0.000 0.489 1349 S N 1.013 116.679 115.700 -0.056 0.000 2.828 1349 S HA 0.142 4.611 4.470 -0.001 0.000 0.149 1349 S C -0.514 174.048 174.600 -0.063 0.000 0.924 1349 S CA -0.361 57.807 58.200 -0.054 0.000 1.044 1349 S CB 0.440 63.612 63.200 -0.046 0.000 1.595 1349 S HN 0.808 nan 8.310 nan 0.000 0.454 1350 T N 1.920 116.431 114.554 -0.072 0.000 2.795 1350 T HA 0.519 4.868 4.350 -0.001 0.000 0.314 1350 T C 1.301 175.979 174.700 -0.037 0.000 1.069 1350 T CA 0.924 62.977 62.100 -0.078 0.000 1.071 1350 T CB 0.162 68.971 68.868 -0.099 0.000 0.988 1350 T HN 0.829 nan 8.240 nan 0.000 0.543 1351 G N 1.364 110.152 108.800 -0.020 0.000 3.229 1351 G HA2 0.328 4.287 3.960 -0.001 0.000 0.165 1351 G HA3 0.328 4.287 3.960 -0.001 0.000 0.165 1351 G C 0.354 175.308 174.900 0.091 0.000 1.753 1351 G CA -0.103 45.020 45.100 0.038 0.000 1.054 1351 G HN 0.632 nan 8.290 nan 0.000 0.544 1352 F N 1.038 120.972 119.950 -0.026 0.000 2.100 1352 F HA 0.408 4.934 4.527 -0.001 0.000 0.280 1352 F C 1.728 177.514 175.800 -0.023 0.000 1.276 1352 F CA 1.712 59.699 58.000 -0.022 0.000 1.109 1352 F CB -0.580 38.410 39.000 -0.016 0.000 0.982 1352 F HN 0.997 nan 8.300 nan 0.000 0.506 1353 G N -0.155 108.347 108.800 -0.496 0.000 2.512 1353 G HA2 0.139 4.099 3.960 -0.001 0.000 0.240 1353 G HA3 0.139 4.099 3.960 -0.001 0.000 0.240 1353 G C -0.613 173.906 174.900 -0.636 0.000 1.246 1353 G CA 0.342 45.188 45.100 -0.424 0.000 0.919 1353 G HN 1.644 nan 8.290 nan 0.000 0.577 1354 S N -1.786 113.704 115.700 -0.350 0.000 2.615 1354 S HA 0.906 5.375 4.470 -0.001 0.000 0.268 1354 S C 0.878 175.375 174.600 -0.171 0.000 1.146 1354 S CA 0.717 58.757 58.200 -0.266 0.000 0.818 1354 S CB 1.228 64.321 63.200 -0.177 0.000 1.111 1354 S HN 3.310 nan 8.310 nan 0.000 0.465 1355 G N 0.410 109.134 108.800 -0.126 0.000 2.499 1355 G HA2 0.022 3.982 3.960 -0.001 0.000 0.232 1355 G HA3 0.022 3.982 3.960 -0.001 0.000 0.232 1355 G C -1.310 173.537 174.900 -0.087 0.000 1.251 1355 G CA -0.219 44.822 45.100 -0.099 0.000 0.917 1355 G HN 1.495 nan 8.290 nan 0.000 0.580 1356 L N 0.234 121.395 121.223 -0.103 0.000 2.470 1356 L HA 0.710 5.050 4.340 -0.001 0.000 0.268 1356 L C 0.075 176.879 176.870 -0.111 0.000 0.964 1356 L CA -0.294 54.484 54.840 -0.104 0.000 0.839 1356 L CB 2.078 44.074 42.059 -0.104 0.000 1.276 1356 L HN 1.523 nan 8.230 nan 0.000 0.403 1357 A N 1.315 124.074 122.820 -0.102 0.000 2.332 1357 A HA 0.691 5.011 4.320 -0.001 0.000 0.300 1357 A C -0.248 177.282 177.584 -0.089 0.000 1.153 1357 A CA -0.521 51.468 52.037 -0.079 0.000 0.764 1357 A CB 1.006 19.960 19.000 -0.076 0.000 1.174 1357 A HN 0.576 nan 8.150 nan 0.000 0.467 1358 T N 1.280 115.786 114.554 -0.081 0.000 2.863 1358 T HA 0.364 4.713 4.350 -0.001 0.000 0.299 1358 T C 0.004 174.605 174.700 -0.165 0.000 0.973 1358 T CA -0.368 61.639 62.100 -0.154 0.000 0.994 1358 T CB 0.223 69.007 68.868 -0.141 0.000 0.961 1358 T HN 0.351 nan 8.240 nan 0.000 0.552 1359 V N 4.921 124.740 119.914 -0.158 0.000 2.381 1359 V HA 0.135 4.254 4.120 -0.001 0.000 0.257 1359 V C 0.234 176.199 176.094 -0.215 0.000 1.057 1359 V CA -0.255 61.978 62.300 -0.112 0.000 1.013 1359 V CB -1.102 30.731 31.823 0.017 0.000 1.069 1359 V HN 0.852 nan 8.190 nan 0.000 0.484 1360 H N 2.618 121.607 119.070 -0.134 0.000 2.479 1360 H HA 0.723 5.278 4.556 -0.001 0.000 0.335 1360 H C -0.513 174.613 175.328 -0.336 0.000 1.142 1360 H CA -0.544 55.400 56.048 -0.174 0.000 1.234 1360 H CB 2.076 31.767 29.762 -0.117 0.000 1.503 1360 H HN 0.391 nan 8.280 nan 0.000 0.510 1361 V N 2.612 122.412 119.914 -0.191 0.000 2.559 1361 V HA 0.124 4.243 4.120 -0.001 0.000 0.289 1361 V C -0.640 175.320 176.094 -0.222 0.000 1.036 1361 V CA -0.444 61.632 62.300 -0.373 0.000 0.887 1361 V CB 1.935 33.242 31.823 -0.860 0.000 1.022 1361 V HN 0.844 nan 8.190 nan 0.000 0.442 1362 T N 4.028 118.508 114.554 -0.124 0.000 2.801 1362 T HA 0.456 4.806 4.350 -0.001 0.000 0.306 1362 T C 0.089 174.745 174.700 -0.074 0.000 1.020 1362 T CA -0.033 62.028 62.100 -0.066 0.000 0.948 1362 T CB 0.421 69.320 68.868 0.052 0.000 0.962 1362 T HN 0.880 nan 8.240 nan 0.000 0.465 1363 T N 2.675 117.157 114.554 -0.120 0.000 2.767 1363 T HA 0.693 5.043 4.350 -0.001 0.000 0.284 1363 T C -0.324 174.322 174.700 -0.089 0.000 0.973 1363 T CA -0.631 61.401 62.100 -0.114 0.000 0.996 1363 T CB 0.958 69.732 68.868 -0.158 0.000 0.927 1363 T HN 0.295 nan 8.240 nan 0.000 0.456 1364 V N 4.271 124.146 119.914 -0.064 0.000 2.628 1364 V HA 0.843 4.963 4.120 -0.001 0.000 0.306 1364 V C -0.341 175.709 176.094 -0.075 0.000 1.045 1364 V CA -0.744 61.510 62.300 -0.076 0.000 0.905 1364 V CB 1.771 33.551 31.823 -0.072 0.000 0.997 1364 V HN 0.909 nan 8.190 nan 0.000 0.436 1365 V N 3.245 123.086 119.914 -0.122 0.000 3.087 1365 V HA 0.573 4.692 4.120 -0.001 0.000 0.306 1365 V C -1.568 174.443 176.094 -0.138 0.000 1.187 1365 V CA -0.580 61.692 62.300 -0.046 0.000 0.999 1365 V CB 2.711 34.534 31.823 0.000 0.000 1.049 1365 V HN 1.033 nan 8.190 nan 0.000 0.431 1366 H N 4.277 123.373 119.070 0.043 0.000 2.488 1366 H HA 0.629 5.184 4.556 -0.001 0.000 0.322 1366 H C -0.092 175.281 175.328 0.076 0.000 1.078 1366 H CA -0.583 55.504 56.048 0.065 0.000 1.260 1366 H CB 1.004 30.809 29.762 0.071 0.000 1.425 1366 H HN 0.644 nan 8.280 nan 0.000 0.471 1367 K N 0.024 120.530 120.400 0.177 0.000 2.313 1367 K HA 0.455 4.774 4.320 -0.001 0.000 0.235 1367 K C 0.207 176.946 176.600 0.232 0.000 1.035 1367 K CA -0.754 55.627 56.287 0.157 0.000 0.868 1367 K CB 1.328 33.883 32.500 0.092 0.000 1.232 1367 K HN 0.565 nan 8.250 nan 0.000 0.459 1368 T N -2.997 111.691 114.554 0.224 0.000 3.044 1368 T HA 0.210 4.560 4.350 -0.001 0.000 0.260 1368 T C -0.101 174.849 174.700 0.417 0.000 1.019 1368 T CA -0.248 62.057 62.100 0.340 0.000 0.921 1368 T CB 0.050 69.037 68.868 0.198 0.000 1.053 1368 T HN 0.391 nan 8.240 nan 0.000 0.533 1369 S N -0.113 115.703 115.700 0.193 0.000 2.536 1369 S HA 0.476 4.946 4.470 -0.001 0.000 0.271 1369 S C 0.134 174.720 174.600 -0.024 0.000 1.134 1369 S CA -0.721 57.543 58.200 0.106 0.000 0.897 1369 S CB 2.066 65.332 63.200 0.110 0.000 1.094 1369 S HN 0.155 nan 8.310 nan 0.000 0.473 1370 T N 1.403 115.912 114.554 -0.075 0.000 3.069 1370 T HA 0.015 4.364 4.350 -0.001 0.000 0.252 1370 T C 2.122 176.809 174.700 -0.020 0.000 1.053 1370 T CA 0.731 62.781 62.100 -0.082 0.000 0.964 1370 T CB -0.097 68.690 68.868 -0.136 0.000 1.005 1370 T HN 0.734 nan 8.240 nan 0.000 0.532 1371 S N 2.871 118.580 115.700 0.015 0.000 2.389 1371 S HA -0.331 4.138 4.470 -0.001 0.000 0.231 1371 S C 1.895 176.507 174.600 0.019 0.000 1.052 1371 S CA 1.888 60.106 58.200 0.030 0.000 1.053 1371 S CB -0.553 62.675 63.200 0.047 0.000 0.886 1371 S HN 0.837 nan 8.310 nan 0.000 0.456 1372 E N 2.222 122.431 120.200 0.016 0.000 2.000 1372 E HA -0.151 4.199 4.350 -0.001 0.000 0.199 1372 E C 0.925 177.525 176.600 0.000 0.000 1.011 1372 E CA 0.960 57.367 56.400 0.012 0.000 0.836 1372 E CB -0.885 28.823 29.700 0.015 0.000 0.778 1372 E HN 0.697 nan 8.360 nan 0.000 0.462 1373 E N 0.895 121.089 120.200 -0.009 0.000 2.533 1373 E HA -0.018 4.331 4.350 -0.001 0.000 0.269 1373 E C -0.390 176.197 176.600 -0.023 0.000 1.234 1373 E CA 0.156 56.545 56.400 -0.018 0.000 1.086 1373 E CB 0.377 30.060 29.700 -0.028 0.000 1.016 1373 E HN 0.093 nan 8.360 nan 0.000 0.479 1374 V N 1.008 120.903 119.914 -0.030 0.000 2.432 1374 V HA 0.082 4.202 4.120 -0.001 0.000 0.275 1374 V C 0.065 176.126 176.094 -0.055 0.000 1.043 1374 V CA -0.797 61.477 62.300 -0.045 0.000 0.925 1374 V CB 0.922 32.716 31.823 -0.050 0.000 0.985 1374 V HN 0.684 nan 8.190 nan 0.000 0.466 1375 c N 4.156 122.710 118.600 -0.076 0.000 2.325 1375 c HA 0.376 4.946 4.570 -0.001 0.000 0.347 1375 c C 1.606 175.577 174.090 -0.197 0.000 1.263 1375 c CA -0.195 56.069 56.329 -0.107 0.000 1.806 1375 c CB 0.391 42.843 42.510 -0.096 0.000 2.405 1375 c HN 1.034 nan 8.230 nan 0.000 0.537 1376 S N 1.252 116.850 115.700 -0.171 0.000 2.523 1376 S HA 0.278 4.748 4.470 -0.001 0.000 0.217 1376 S C -0.220 174.046 174.600 -0.556 0.000 0.996 1376 S CA 0.077 58.092 58.200 -0.308 0.000 0.921 1376 S CB 0.118 63.217 63.200 -0.168 0.000 0.829 1376 S HN 0.646 nan 8.310 nan 0.000 0.495 1377 F N 1.369 121.206 119.950 -0.188 0.000 2.539 1377 F HA 0.487 5.014 4.527 -0.001 0.000 0.318 1377 F C -0.762 174.920 175.800 -0.198 0.000 1.135 1377 F CA -1.417 56.484 58.000 -0.164 0.000 0.915 1377 F CB 1.047 40.002 39.000 -0.075 0.000 1.176 1377 F HN -0.027 nan 8.300 nan 0.000 0.440 1378 Y N 4.242 124.584 120.300 0.071 0.000 2.377 1378 Y HA 0.566 5.116 4.550 -0.001 0.000 0.330 1378 Y C 0.083 176.032 175.900 0.082 0.000 1.108 1378 Y CA -0.464 57.632 58.100 -0.008 0.000 1.308 1378 Y CB 0.506 38.831 38.460 -0.225 0.000 1.216 1378 Y HN 0.338 nan 8.280 nan 0.000 0.518 1379 L N 3.422 124.889 121.223 0.407 0.000 2.341 1379 L HA 0.698 5.037 4.340 -0.001 0.000 0.254 1379 L C -1.210 175.994 176.870 0.556 0.000 1.040 1379 L CA -1.392 53.753 54.840 0.507 0.000 0.837 1379 L CB 2.891 45.197 42.059 0.410 0.000 1.425 1379 L HN 0.526 nan 8.230 nan 0.000 0.414 1380 K N 1.125 121.817 120.400 0.487 0.000 2.571 1380 K HA 0.622 4.942 4.320 -0.001 0.000 0.252 1380 K C -1.673 175.015 176.600 0.146 0.000 0.956 1380 K CA -0.575 55.870 56.287 0.265 0.000 0.822 1380 K CB 2.579 35.153 32.500 0.123 0.000 1.286 1380 K HN 0.493 nan 8.250 nan 0.000 0.439 1381 I N 2.937 123.575 120.570 0.113 0.000 2.582 1381 I HA 0.436 4.605 4.170 -0.001 0.000 0.292 1381 I C -1.814 174.364 176.117 0.102 0.000 1.066 1381 I CA -0.261 61.043 61.300 0.008 0.000 1.053 1381 I CB 1.826 39.758 38.000 -0.113 0.000 1.241 1381 I HN 0.959 nan 8.210 nan 0.000 0.421 1382 D N 3.621 124.060 120.400 0.066 0.000 2.663 1382 D HA 0.169 4.809 4.640 -0.001 0.000 0.233 1382 D C -1.390 174.906 176.300 -0.006 0.000 1.240 1382 D CA -0.451 53.584 54.000 0.058 0.000 0.774 1382 D CB 1.955 42.767 40.800 0.020 0.000 1.443 1382 D HN 0.363 nan 8.370 nan 0.000 0.441 1383 T N -0.542 113.986 114.554 -0.043 0.000 2.733 1383 T HA 0.430 4.779 4.350 -0.001 0.000 0.294 1383 T C 0.271 174.898 174.700 -0.121 0.000 0.956 1383 T CA -0.676 61.356 62.100 -0.114 0.000 0.987 1383 T CB 1.891 70.664 68.868 -0.159 0.000 0.920 1383 T HN 0.338 nan 8.240 nan 0.000 0.470 1384 Q N 1.446 121.165 119.800 -0.136 0.000 2.162 1384 Q HA 0.360 4.700 4.340 -0.001 0.000 0.197 1384 Q C 0.146 176.068 176.000 -0.130 0.000 1.013 1384 Q CA -0.920 54.815 55.803 -0.113 0.000 1.040 1384 Q CB 0.898 29.578 28.738 -0.096 0.000 1.114 1384 Q HN 0.660 nan 8.270 nan 0.000 0.547 1385 D N -0.725 119.617 120.400 -0.097 0.000 2.399 1385 D HA 0.200 4.839 4.640 -0.001 0.000 0.269 1385 D C 0.591 176.861 176.300 -0.049 0.000 1.105 1385 D CA 0.143 54.089 54.000 -0.090 0.000 0.844 1385 D CB 0.903 41.658 40.800 -0.074 0.000 1.372 1385 D HN 0.349 nan 8.370 nan 0.000 0.517 1400 K N 1.349 121.595 120.400 -0.257 0.000 2.592 1400 K HA 0.557 4.877 4.320 -0.001 0.000 0.259 1400 K C -1.550 174.858 176.600 -0.320 0.000 0.937 1400 K CA -0.955 55.111 56.287 -0.368 0.000 0.874 1400 K CB 2.392 34.544 32.500 -0.581 0.000 1.339 1400 K HN 0.305 nan 8.250 nan 0.000 0.425 1401 R N 3.878 124.207 120.500 -0.284 0.000 2.668 1401 R HA 0.466 4.805 4.340 -0.001 0.000 0.272 1401 R C -1.611 174.481 176.300 -0.347 0.000 1.019 1401 R CA -0.706 55.193 56.100 -0.335 0.000 0.894 1401 R CB 1.534 31.695 30.300 -0.232 0.000 1.228 1401 R HN 0.842 nan 8.270 nan 0.000 0.460 1402 I N 3.269 123.517 120.570 -0.535 0.000 2.315 1402 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 1402 I C -0.267 175.699 176.117 -0.252 0.000 1.006 1402 I CA -0.987 60.044 61.300 -0.449 0.000 1.265 1402 I CB 1.867 39.422 38.000 -0.742 0.000 1.387 1402 I HN 0.207 nan 8.210 nan 0.000 0.475 1403 V N 6.530 126.362 119.914 -0.137 0.000 2.304 1403 V HA 0.552 4.672 4.120 -0.001 0.000 0.278 1403 V C 0.265 176.307 176.094 -0.087 0.000 1.018 1403 V CA -0.462 61.795 62.300 -0.072 0.000 0.814 1403 V CB 1.105 32.895 31.823 -0.056 0.000 1.021 1403 V HN 0.812 nan 8.190 nan 0.000 0.440 1404 A N 4.081 126.825 122.820 -0.127 0.000 2.330 1404 A HA 0.855 5.175 4.320 -0.001 0.000 0.327 1404 A C -0.209 177.317 177.584 -0.096 0.000 1.155 1404 A CA -0.343 51.523 52.037 -0.285 0.000 0.803 1404 A CB 1.169 19.685 19.000 -0.807 0.000 1.208 1404 A HN 0.807 nan 8.150 nan 0.000 0.477 1405 c N 0.226 118.876 118.600 0.084 0.000 2.967 1405 c HA 1.061 5.630 4.570 -0.001 0.000 0.372 1405 c C 0.363 174.797 174.090 0.573 0.000 1.455 1405 c CA 0.143 56.684 56.329 0.353 0.000 1.638 1405 c CB 1.377 44.112 42.510 0.375 0.000 2.096 1405 c HN 1.582 nan 8.230 nan 0.000 0.466 1406 A N 0.353 123.551 122.820 0.631 0.000 2.590 1406 A HA 0.731 5.051 4.320 -0.001 0.000 0.296 1406 A C -1.058 176.539 177.584 0.022 0.000 1.050 1406 A CA 0.052 52.297 52.037 0.346 0.000 0.697 1406 A CB 0.923 20.101 19.000 0.297 0.000 1.277 1406 A HN 1.377 nan 8.150 nan 0.000 0.411 1407 S N 0.674 116.266 115.700 -0.181 0.000 2.548 1407 S HA 0.607 5.076 4.470 -0.001 0.000 0.276 1407 S C -1.030 173.667 174.600 0.162 0.000 1.129 1407 S CA -0.415 57.724 58.200 -0.102 0.000 0.931 1407 S CB 0.998 63.933 63.200 -0.442 0.000 1.068 1407 S HN 1.576 nan 8.310 nan 0.000 0.480 1408 Y N 3.865 124.198 120.300 0.054 0.000 2.578 1408 Y HA 0.340 4.890 4.550 -0.001 0.000 0.339 1408 Y C 0.064 175.795 175.900 -0.281 0.000 1.231 1408 Y CA 0.078 58.073 58.100 -0.177 0.000 1.461 1408 Y CB 0.502 38.893 38.460 -0.114 0.000 1.323 1408 Y HN 0.649 nan 8.280 nan 0.000 0.590 1409 K N 8.154 127.800 120.400 -1.256 0.000 2.300 1409 K HA 0.290 4.610 4.320 -0.001 0.000 0.264 1409 K C -2.640 173.050 176.600 -1.517 0.000 1.083 1409 K CA -1.809 53.791 56.287 -1.145 0.000 0.958 1409 K CB 0.675 32.612 32.500 -0.938 0.000 1.318 1409 K HN 0.430 nan 8.250 nan 0.000 0.448 1410 P HA -0.005 nan 4.420 nan 0.000 0.266 1410 P C -0.615 176.456 177.300 -0.382 0.000 1.215 1410 P CA 0.198 62.869 63.100 -0.716 0.000 0.763 1410 P CB 0.760 32.258 31.700 -0.337 0.000 0.806 1411 S N 3.393 118.955 115.700 -0.230 0.000 2.579 1411 S HA 0.142 4.611 4.470 -0.001 0.000 0.275 1411 S C 0.598 175.140 174.600 -0.096 0.000 1.345 1411 S CA -0.686 57.433 58.200 -0.136 0.000 1.031 1411 S CB 0.211 63.368 63.200 -0.073 0.000 0.892 1411 S HN 0.440 nan 8.310 nan 0.000 0.529 1412 R N 1.584 122.035 120.500 -0.081 0.000 2.740 1412 R HA 0.020 4.360 4.340 -0.001 0.000 0.263 1412 R C -0.026 176.241 176.300 -0.055 0.000 0.997 1412 R CA 0.105 56.165 56.100 -0.067 0.000 1.108 1412 R CB -0.109 30.154 30.300 -0.060 0.000 0.969 1412 R HN 0.671 nan 8.270 nan 0.000 0.431 1413 E N -2.045 118.123 120.200 -0.054 0.000 4.005 1413 E HA -0.228 4.121 4.350 -0.001 0.000 0.349 1413 E C -0.729 175.858 176.600 -0.022 0.000 0.635 1413 E CA 1.893 58.265 56.400 -0.047 0.000 1.238 1413 E CB -1.078 28.588 29.700 -0.057 0.000 1.698 1413 E HN 0.871 nan 8.360 nan 0.000 0.418 1414 E N 0.975 121.162 120.200 -0.022 0.000 2.343 1414 E HA 0.351 4.700 4.350 -0.001 0.000 0.269 1414 E C 0.043 176.647 176.600 0.007 0.000 1.047 1414 E CA -0.021 56.380 56.400 0.002 0.000 0.874 1414 E CB 1.157 30.868 29.700 0.019 0.000 1.033 1414 E HN 0.061 nan 8.360 nan 0.000 0.409 1415 S N 0.615 116.331 115.700 0.025 0.000 2.584 1415 S HA -0.028 4.442 4.470 -0.001 0.000 0.270 1415 S C 1.301 175.922 174.600 0.034 0.000 1.346 1415 S CA 0.079 58.295 58.200 0.027 0.000 1.018 1415 S CB 0.730 63.949 63.200 0.032 0.000 0.899 1415 S HN 0.600 nan 8.310 nan 0.000 0.542 1416 S N 2.434 118.150 115.700 0.026 0.000 2.474 1416 S HA -0.114 4.356 4.470 -0.001 0.000 0.235 1416 S C 1.996 176.626 174.600 0.050 0.000 0.997 1416 S CA 1.147 59.363 58.200 0.027 0.000 0.949 1416 S CB -0.936 62.275 63.200 0.019 0.000 0.766 1416 S HN 0.965 nan 8.310 nan 0.000 0.517 1417 S N 1.428 117.159 115.700 0.052 0.000 2.420 1417 S HA 0.241 4.710 4.470 -0.001 0.000 0.237 1417 S C 1.534 176.183 174.600 0.083 0.000 1.023 1417 S CA 0.880 59.112 58.200 0.053 0.000 0.991 1417 S CB -1.449 61.773 63.200 0.035 0.000 0.792 1417 S HN 1.705 nan 8.310 nan 0.000 0.488 1418 G N 0.433 109.320 108.800 0.145 0.000 2.527 1418 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.227 1418 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.227 1418 G C -0.134 174.810 174.900 0.074 0.000 1.291 1418 G CA -0.168 45.110 45.100 0.297 0.000 0.904 1418 G HN 0.942 nan 8.290 nan 0.000 0.577 1419 S N -0.551 115.057 115.700 -0.153 0.000 2.608 1419 S HA 0.615 5.084 4.470 -0.001 0.000 0.261 1419 S C 1.340 175.810 174.600 -0.216 0.000 1.314 1419 S CA 0.826 58.755 58.200 -0.452 0.000 0.992 1419 S CB 0.447 63.394 63.200 -0.422 0.000 0.935 1419 S HN 2.094 nan 8.310 nan 0.000 0.564 1420 S N 1.279 116.840 115.700 -0.231 0.000 2.623 1420 S HA 0.293 4.762 4.470 -0.001 0.000 0.278 1420 S C 0.208 174.725 174.600 -0.139 0.000 1.148 1420 S CA -0.626 57.465 58.200 -0.181 0.000 1.028 1420 S CB -0.159 62.939 63.200 -0.169 0.000 1.145 1420 S HN 0.898 nan 8.310 nan 0.000 0.523 1421 H N 0.856 119.752 119.070 -0.289 0.000 3.107 1421 H HA 0.397 4.953 4.556 -0.001 0.000 0.301 1421 H C -0.239 175.047 175.328 -0.071 0.000 0.981 1421 H CA 0.395 56.320 56.048 -0.205 0.000 1.443 1421 H CB -0.312 29.216 29.762 -0.391 0.000 1.479 1421 H HN 0.827 nan 8.280 nan 0.000 0.564 1422 A N 4.987 127.675 122.820 -0.220 0.000 2.594 1422 A HA 0.520 4.840 4.320 -0.001 0.000 0.291 1422 A C -0.758 176.781 177.584 -0.075 0.000 1.105 1422 A CA -0.189 51.732 52.037 -0.194 0.000 0.694 1422 A CB 1.560 20.499 19.000 -0.102 0.000 1.291 1422 A HN 0.716 nan 8.150 nan 0.000 0.410 1423 V N -1.230 118.680 119.914 -0.006 0.000 2.919 1423 V HA 0.877 4.996 4.120 -0.001 0.000 0.316 1423 V C -0.465 175.611 176.094 -0.029 0.000 1.077 1423 V CA -0.915 61.414 62.300 0.049 0.000 0.977 1423 V CB 1.712 33.639 31.823 0.174 0.000 1.039 1423 V HN 0.852 nan 8.190 nan 0.000 0.441 1424 M N 3.538 123.136 119.600 -0.004 0.000 2.311 1424 M HA 0.523 5.002 4.480 -0.001 0.000 0.325 1424 M C -1.224 175.057 176.300 -0.032 0.000 1.061 1424 M CA -0.262 55.035 55.300 -0.005 0.000 0.957 1424 M CB 1.839 34.528 32.600 0.148 0.000 1.646 1424 M HN 0.875 nan 8.290 nan 0.000 0.434 1425 D N 5.117 125.474 120.400 -0.072 0.000 2.469 1425 D HA 0.458 5.097 4.640 -0.001 0.000 0.251 1425 D C -1.491 174.865 176.300 0.092 0.000 1.173 1425 D CA -0.259 53.697 54.000 -0.073 0.000 0.882 1425 D CB 1.265 41.904 40.800 -0.269 0.000 1.129 1425 D HN 0.613 nan 8.370 nan 0.000 0.549 1426 I N 2.425 123.088 120.570 0.155 0.000 2.362 1426 I HA 0.123 4.292 4.170 -0.001 0.000 0.289 1426 I C 0.616 176.911 176.117 0.297 0.000 0.994 1426 I CA -0.746 60.683 61.300 0.214 0.000 1.158 1426 I CB 1.809 39.891 38.000 0.137 0.000 1.315 1426 I HN 0.188 nan 8.210 nan 0.000 0.451 1427 S N 7.257 123.177 115.700 0.367 0.000 2.545 1427 S HA 0.547 5.016 4.470 -0.001 0.000 0.275 1427 S C -0.521 174.233 174.600 0.257 0.000 1.299 1427 S CA -0.461 57.929 58.200 0.316 0.000 1.048 1427 S CB 0.467 63.900 63.200 0.388 0.000 0.938 1427 S HN 0.455 nan 8.310 nan 0.000 0.496 1428 L N 5.916 127.202 121.223 0.105 0.000 2.287 1428 L HA 0.440 4.779 4.340 -0.001 0.000 0.287 1428 L C -2.157 174.770 176.870 0.096 0.000 1.022 1428 L CA -2.380 52.551 54.840 0.152 0.000 0.814 1428 L CB 1.533 43.664 42.059 0.120 0.000 1.217 1428 L HN 0.523 nan 8.230 nan 0.000 0.420 1429 P HA -0.063 nan 4.420 nan 0.000 0.263 1429 P C -0.328 177.006 177.300 0.057 0.000 1.168 1429 P CA 0.052 63.167 63.100 0.026 0.000 0.759 1429 P CB 0.140 31.800 31.700 -0.067 0.000 0.782 1430 T N 2.876 117.474 114.554 0.073 0.000 2.709 1430 T HA 0.223 4.572 4.350 -0.001 0.000 0.269 1430 T C 1.058 175.879 174.700 0.202 0.000 1.008 1430 T CA 1.301 63.475 62.100 0.124 0.000 1.194 1430 T CB -0.981 67.954 68.868 0.112 0.000 0.986 1430 T HN 0.898 nan 8.240 nan 0.000 0.508 1431 G N 3.835 112.760 108.800 0.208 0.000 2.462 1431 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.283 1431 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.283 1431 G C 0.064 175.026 174.900 0.104 0.000 1.043 1431 G CA -0.617 44.583 45.100 0.166 0.000 1.300 1431 G HN 0.789 nan 8.290 nan 0.000 0.518 1432 I N 0.539 121.146 120.570 0.062 0.000 2.841 1432 I HA 0.092 4.262 4.170 -0.001 0.000 0.324 1432 I C 1.060 177.200 176.117 0.039 0.000 1.483 1432 I CA -0.489 60.838 61.300 0.044 0.000 0.835 1432 I CB -0.045 37.957 38.000 0.003 0.000 1.771 1432 I HN 0.338 nan 8.210 nan 0.000 0.590 1433 S N 2.629 118.392 115.700 0.105 0.000 2.890 1433 S HA 0.073 4.542 4.470 -0.001 0.000 0.349 1433 S C 0.656 175.230 174.600 -0.043 0.000 1.211 1433 S CA 0.810 59.109 58.200 0.165 0.000 0.988 1433 S CB 0.378 63.864 63.200 0.477 0.000 0.666 1433 S HN 0.636 nan 8.310 nan 0.000 0.472 1434 A N 2.831 125.677 122.820 0.043 0.000 2.330 1434 A HA 0.578 4.898 4.320 -0.001 0.000 0.329 1434 A C 0.342 177.928 177.584 0.004 0.000 1.135 1434 A CA -0.769 51.298 52.037 0.050 0.000 0.817 1434 A CB 0.503 19.735 19.000 0.387 0.000 1.269 1434 A HN 0.727 nan 8.150 nan 0.000 0.469 1435 N N 0.797 119.505 118.700 0.013 0.000 2.670 1435 N HA -0.049 4.690 4.740 -0.001 0.000 0.296 1435 N C 0.977 176.539 175.510 0.088 0.000 1.216 1435 N CA 0.284 53.330 53.050 -0.008 0.000 1.123 1435 N CB 0.132 38.600 38.487 -0.030 0.000 1.459 1435 N HN 0.777 nan 8.380 nan 0.000 0.509 1436 E N 1.870 122.172 120.200 0.171 0.000 2.149 1436 E HA -0.281 4.069 4.350 -0.001 0.000 0.215 1436 E C 1.019 177.637 176.600 0.030 0.000 1.055 1436 E CA 1.939 58.437 56.400 0.163 0.000 0.870 1436 E CB 0.181 30.037 29.700 0.261 0.000 0.764 1436 E HN 0.536 nan 8.360 nan 0.000 0.463 1437 E N 0.238 120.474 120.200 0.060 0.000 2.153 1437 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 1437 E C 1.846 178.406 176.600 -0.066 0.000 0.988 1437 E CA 1.201 57.598 56.400 -0.006 0.000 0.811 1437 E CB -0.387 29.334 29.700 0.035 0.000 0.746 1437 E HN 0.401 nan 8.360 nan 0.000 0.466 1438 D N 1.059 121.436 120.400 -0.037 0.000 2.104 1438 D HA -0.112 4.527 4.640 -0.001 0.000 0.194 1438 D C 2.234 178.461 176.300 -0.121 0.000 0.994 1438 D CA 0.846 54.824 54.000 -0.036 0.000 0.830 1438 D CB -0.190 40.635 40.800 0.042 0.000 0.959 1438 D HN 0.169 nan 8.370 nan 0.000 0.452 1439 L N 0.560 121.636 121.223 -0.244 0.000 2.044 1439 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 1439 L C 2.288 178.839 176.870 -0.530 0.000 1.075 1439 L CA 0.810 55.396 54.840 -0.424 0.000 0.747 1439 L CB -0.438 41.291 42.059 -0.551 0.000 0.903 1439 L HN -0.123 nan 8.230 nan 0.000 0.435 1440 K N 0.635 120.615 120.400 -0.701 0.000 2.304 1440 K HA -0.221 4.099 4.320 -0.001 0.000 0.204 1440 K C 2.032 178.506 176.600 -0.210 0.000 1.044 1440 K CA 1.511 57.513 56.287 -0.475 0.000 0.932 1440 K CB -0.513 31.797 32.500 -0.317 0.000 0.735 1440 K HN 0.398 nan 8.250 nan 0.000 0.468 1441 A N 1.224 123.948 122.820 -0.160 0.000 1.854 1441 A HA -0.069 4.251 4.320 -0.001 0.000 0.214 1441 A C 2.345 179.916 177.584 -0.022 0.000 1.192 1441 A CA 0.830 52.830 52.037 -0.061 0.000 0.611 1441 A CB -0.552 18.425 19.000 -0.037 0.000 0.832 1441 A HN 0.158 nan 8.150 nan 0.000 0.442 1442 L N -0.147 121.061 121.223 -0.025 0.000 1.990 1442 L HA -0.212 4.128 4.340 -0.001 0.000 0.213 1442 L C 2.712 179.625 176.870 0.071 0.000 1.072 1442 L CA 1.920 56.800 54.840 0.066 0.000 0.755 1442 L CB -0.663 41.451 42.059 0.092 0.000 0.889 1442 L HN 0.464 nan 8.230 nan 0.000 0.432 1443 V N -2.143 117.773 119.914 0.004 0.000 2.500 1443 V HA -0.103 4.016 4.120 -0.001 0.000 0.243 1443 V C 1.843 177.936 176.094 -0.002 0.000 1.039 1443 V CA 1.201 63.506 62.300 0.009 0.000 1.053 1443 V CB -0.379 31.442 31.823 -0.003 0.000 0.695 1443 V HN 0.455 nan 8.190 nan 0.000 0.463 1444 E N 1.010 121.200 120.200 -0.017 0.000 2.428 1444 E HA 0.265 4.614 4.350 -0.001 0.000 0.199 1444 E C 0.664 177.278 176.600 0.024 0.000 1.172 1444 E CA 0.413 56.815 56.400 0.004 0.000 0.941 1444 E CB -0.753 28.942 29.700 -0.008 0.000 1.001 1444 E HN 0.827 nan 8.360 nan 0.000 0.501 1445 G N -1.574 107.240 108.800 0.023 0.000 2.660 1445 G HA2 0.228 4.187 3.960 -0.001 0.000 0.294 1445 G HA3 0.228 4.187 3.960 -0.001 0.000 0.294 1445 G C 0.453 175.350 174.900 -0.005 0.000 1.369 1445 G CA -0.712 44.407 45.100 0.031 0.000 0.912 1445 G HN 0.001 nan 8.290 nan 0.000 0.479 1446 V N 0.629 120.525 119.914 -0.030 0.000 3.026 1446 V HA -0.083 4.037 4.120 -0.001 0.000 0.265 1446 V C 1.676 177.649 176.094 -0.201 0.000 1.121 1446 V CA 2.025 64.266 62.300 -0.099 0.000 1.142 1446 V CB -0.547 31.206 31.823 -0.118 0.000 0.730 1446 V HN 0.812 nan 8.190 nan 0.000 0.503 1447 D N 0.700 120.989 120.400 -0.185 0.000 2.690 1447 D HA -0.028 4.612 4.640 -0.001 0.000 0.236 1447 D C 0.809 177.076 176.300 -0.055 0.000 1.218 1447 D CA -0.459 53.445 54.000 -0.160 0.000 0.829 1447 D CB -0.597 40.168 40.800 -0.058 0.000 1.009 1447 D HN 0.673 nan 8.370 nan 0.000 0.482 1448 Q N 0.260 120.029 119.800 -0.052 0.000 2.301 1448 Q HA 0.047 4.387 4.340 -0.001 0.000 0.262 1448 Q C 0.646 176.609 176.000 -0.062 0.000 1.168 1448 Q CA -0.418 55.368 55.803 -0.028 0.000 0.908 1448 Q CB 1.144 29.868 28.738 -0.023 0.000 1.348 1448 Q HN 0.246 nan 8.270 nan 0.000 0.441 1449 L N 3.033 124.220 121.223 -0.059 0.000 2.270 1449 L HA 0.324 4.664 4.340 -0.001 0.000 0.210 1449 L C -0.732 175.804 176.870 -0.556 0.000 1.104 1449 L CA 1.244 55.947 54.840 -0.228 0.000 0.804 1449 L CB 0.183 42.160 42.059 -0.137 0.000 0.937 1449 L HN 0.624 nan 8.230 nan 0.000 0.450 1450 F N -1.593 118.308 119.950 -0.081 0.000 2.764 1450 F HA 0.527 5.053 4.527 -0.001 0.000 0.347 1450 F C 1.234 176.905 175.800 -0.216 0.000 1.151 1450 F CA 0.007 57.925 58.000 -0.137 0.000 1.021 1450 F CB 1.187 40.117 39.000 -0.117 0.000 1.438 1450 F HN -0.224 nan 8.300 nan 0.000 0.516 1451 T N -4.294 110.172 114.554 -0.146 0.000 3.131 1451 T HA 0.253 4.602 4.350 -0.001 0.000 0.283 1451 T C -0.786 173.627 174.700 -0.478 0.000 0.906 1451 T CA -0.086 61.750 62.100 -0.440 0.000 0.882 1451 T CB 0.313 68.537 68.868 -1.073 0.000 1.208 1451 T HN 0.537 nan 8.240 nan 0.000 0.561 1452 D N 0.577 120.797 120.400 -0.300 0.000 2.871 1452 D HA 0.306 4.945 4.640 -0.001 0.000 0.209 1452 D C -1.725 174.555 176.300 -0.034 0.000 1.292 1452 D CA -0.373 53.527 54.000 -0.166 0.000 0.869 1452 D CB 2.370 42.998 40.800 -0.287 0.000 1.663 1452 D HN 0.318 nan 8.370 nan 0.000 0.557 1453 Y N 1.306 121.515 120.300 -0.151 0.000 2.549 1453 Y HA 0.684 5.234 4.550 -0.001 0.000 0.339 1453 Y C -1.122 174.717 175.900 -0.102 0.000 1.053 1453 Y CA -0.731 57.267 58.100 -0.170 0.000 1.105 1453 Y CB 1.302 39.641 38.460 -0.203 0.000 1.258 1453 Y HN 0.331 nan 8.280 nan 0.000 0.478 1454 Q N 2.330 121.880 119.800 -0.417 0.000 2.507 1454 Q HA 0.405 4.744 4.340 -0.001 0.000 0.242 1454 Q C -2.279 173.592 176.000 -0.215 0.000 0.911 1454 Q CA -0.673 54.842 55.803 -0.480 0.000 1.019 1454 Q CB 0.966 29.528 28.738 -0.293 0.000 1.523 1454 Q HN 0.710 nan 8.270 nan 0.000 0.459 1455 I N 2.548 123.015 120.570 -0.172 0.000 2.269 1455 I HA 0.291 4.461 4.170 -0.001 0.000 0.293 1455 I C -0.204 175.894 176.117 -0.031 0.000 1.106 1455 I CA 0.197 61.469 61.300 -0.048 0.000 1.248 1455 I CB 0.721 38.726 38.000 0.008 0.000 1.444 1455 I HN 0.480 nan 8.210 nan 0.000 0.497 1456 K N 4.788 125.191 120.400 0.006 0.000 2.207 1456 K HA 0.233 4.552 4.320 -0.001 0.000 0.255 1456 K C -0.412 176.208 176.600 0.032 0.000 0.941 1456 K CA -0.675 55.615 56.287 0.004 0.000 0.825 1456 K CB 1.003 33.511 32.500 0.014 0.000 1.119 1456 K HN 0.433 nan 8.250 nan 0.000 0.430 1457 D N 2.990 123.324 120.400 -0.109 0.000 2.963 1457 D HA -0.219 4.420 4.640 -0.001 0.000 0.205 1457 D C 0.634 176.944 176.300 0.017 0.000 1.267 1457 D CA 1.810 55.632 54.000 -0.297 0.000 0.649 1457 D CB -0.913 39.619 40.800 -0.447 0.000 0.934 1457 D HN 1.016 nan 8.370 nan 0.000 0.390 1458 G N 0.301 109.090 108.800 -0.018 0.000 2.157 1458 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.248 1458 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.248 1458 G C 0.042 174.754 174.900 -0.314 0.000 0.979 1458 G CA 0.164 45.202 45.100 -0.104 0.000 0.650 1458 G HN 0.694 nan 8.290 nan 0.000 0.529 1459 H N -1.169 117.944 119.070 0.072 0.000 2.806 1459 H HA 0.510 5.066 4.556 -0.001 0.000 0.367 1459 H C -0.764 174.565 175.328 0.002 0.000 1.136 1459 H CA -0.672 55.410 56.048 0.057 0.000 1.178 1459 H CB 2.330 32.124 29.762 0.052 0.000 1.718 1459 H HN 0.073 nan 8.280 nan 0.000 0.540 1460 V N 4.964 124.935 119.914 0.094 0.000 2.406 1460 V HA 0.218 4.337 4.120 -0.001 0.000 0.272 1460 V C 0.263 176.321 176.094 -0.061 0.000 1.043 1460 V CA -0.166 62.097 62.300 -0.062 0.000 0.915 1460 V CB 0.502 32.163 31.823 -0.271 0.000 0.988 1460 V HN 0.494 nan 8.190 nan 0.000 0.466 1461 I N 6.897 127.420 120.570 -0.078 0.000 2.411 1461 I HA 0.424 4.593 4.170 -0.001 0.000 0.284 1461 I C -0.629 175.432 176.117 -0.094 0.000 1.012 1461 I CA -0.230 61.030 61.300 -0.067 0.000 1.119 1461 I CB 1.538 39.520 38.000 -0.029 0.000 1.261 1461 I HN 0.347 nan 8.210 nan 0.000 0.448 1462 L N 6.609 127.769 121.223 -0.104 0.000 2.322 1462 L HA 0.516 4.855 4.340 -0.001 0.000 0.281 1462 L C -0.313 176.563 176.870 0.011 0.000 1.014 1462 L CA -0.443 54.326 54.840 -0.119 0.000 0.815 1462 L CB 1.798 43.649 42.059 -0.347 0.000 1.247 1462 L HN 0.555 nan 8.230 nan 0.000 0.421 1463 Q N 3.056 122.859 119.800 0.005 0.000 2.297 1463 Q HA 0.823 5.162 4.340 -0.001 0.000 0.268 1463 Q C -1.386 174.606 176.000 -0.014 0.000 1.045 1463 Q CA -0.782 55.030 55.803 0.015 0.000 0.861 1463 Q CB 2.682 31.405 28.738 -0.025 0.000 1.344 1463 Q HN 0.392 nan 8.270 nan 0.000 0.452 1464 L N -1.897 119.358 121.223 0.053 0.000 3.079 1464 L HA 0.330 4.669 4.340 -0.001 0.000 0.278 1464 L C -0.383 176.622 176.870 0.226 0.000 1.026 1464 L CA -0.664 54.177 54.840 0.002 0.000 0.963 1464 L CB 0.217 42.236 42.059 -0.066 0.000 1.526 1464 L HN 0.581 nan 8.230 nan 0.000 0.397 1465 N N -0.569 118.251 118.700 0.199 0.000 2.333 1465 N HA 0.046 4.785 4.740 -0.001 0.000 0.178 1465 N C 0.291 175.839 175.510 0.063 0.000 1.018 1465 N CA 1.066 54.253 53.050 0.229 0.000 0.882 1465 N CB 0.611 39.233 38.487 0.224 0.000 0.984 1465 N HN 0.665 nan 8.380 nan 0.000 0.434 1466 S N -0.428 115.284 115.700 0.020 0.000 2.671 1466 S HA 0.588 5.058 4.470 -0.001 0.000 0.277 1466 S C -1.512 173.092 174.600 0.006 0.000 1.165 1466 S CA -0.699 57.496 58.200 -0.008 0.000 0.822 1466 S CB 1.269 64.465 63.200 -0.008 0.000 1.150 1466 S HN 0.053 nan 8.310 nan 0.000 0.479 1467 I N 2.131 122.732 120.570 0.052 0.000 2.931 1467 I HA 0.282 4.451 4.170 -0.001 0.000 0.322 1467 I C -2.568 173.652 176.117 0.173 0.000 1.446 1467 I CA -1.736 59.641 61.300 0.129 0.000 0.825 1467 I CB 1.101 39.261 38.000 0.268 0.000 2.195 1467 I HN 0.333 nan 8.210 nan 0.000 0.608 1468 P HA -0.054 nan 4.420 nan 0.000 0.269 1468 P C 0.476 177.849 177.300 0.122 0.000 1.185 1468 P CA 0.749 63.916 63.100 0.112 0.000 0.769 1468 P CB 0.567 32.307 31.700 0.068 0.000 0.809 1469 S N -0.745 115.017 115.700 0.104 0.000 2.578 1469 S HA 0.007 4.477 4.470 -0.001 0.000 0.231 1469 S C 1.532 176.158 174.600 0.043 0.000 0.994 1469 S CA 0.047 58.286 58.200 0.064 0.000 0.956 1469 S CB -0.290 62.926 63.200 0.026 0.000 0.870 1469 S HN 0.512 nan 8.310 nan 0.000 0.494 1470 S N 2.466 118.200 115.700 0.055 0.000 2.383 1470 S HA -0.041 4.428 4.470 -0.001 0.000 0.227 1470 S C 0.591 175.234 174.600 0.072 0.000 1.026 1470 S CA 1.099 59.331 58.200 0.053 0.000 0.981 1470 S CB -0.423 62.809 63.200 0.052 0.000 0.818 1470 S HN 0.703 nan 8.310 nan 0.000 0.472 1471 D N -1.159 119.300 120.400 0.099 0.000 2.759 1471 D HA 0.493 5.132 4.640 -0.001 0.000 0.321 1471 D C -0.617 175.813 176.300 0.217 0.000 1.267 1471 D CA -1.023 53.085 54.000 0.179 0.000 0.933 1471 D CB -0.356 40.547 40.800 0.171 0.000 1.431 1471 D HN 0.017 nan 8.370 nan 0.000 0.504 1472 F N -0.673 119.324 119.950 0.078 0.000 2.266 1472 F HA 0.492 5.018 4.527 -0.001 0.000 0.287 1472 F C 0.505 176.361 175.800 0.094 0.000 1.255 1472 F CA -0.497 57.570 58.000 0.111 0.000 1.201 1472 F CB 0.203 39.266 39.000 0.106 0.000 1.450 1472 F HN 0.351 nan 8.300 nan 0.000 0.510 1473 L N 0.906 122.329 121.223 0.334 0.000 2.541 1473 L HA 0.469 4.808 4.340 -0.001 0.000 0.266 1473 L C -1.805 175.203 176.870 0.231 0.000 0.966 1473 L CA -0.022 54.930 54.840 0.188 0.000 0.871 1473 L CB 1.195 43.306 42.059 0.085 0.000 1.232 1473 L HN 0.579 nan 8.230 nan 0.000 0.408 1474 c N 4.048 122.766 118.600 0.197 0.000 2.455 1474 c HA 0.719 5.289 4.570 -0.001 0.000 0.320 1474 c C 0.188 174.437 174.090 0.266 0.000 1.226 1474 c CA -0.537 55.920 56.329 0.215 0.000 1.569 1474 c CB 1.882 44.474 42.510 0.137 0.000 2.200 1474 c HN 0.673 nan 8.230 nan 0.000 0.491 1475 V N 5.774 125.865 119.914 0.295 0.000 3.134 1475 V HA 0.826 4.946 4.120 -0.001 0.000 0.313 1475 V C -0.851 175.330 176.094 0.144 0.000 1.069 1475 V CA -0.252 62.194 62.300 0.243 0.000 1.048 1475 V CB 1.521 33.346 31.823 0.003 0.000 1.119 1475 V HN 0.968 nan 8.190 nan 0.000 0.461 1476 R N 4.532 125.121 120.500 0.149 0.000 2.561 1476 R HA 0.474 4.814 4.340 -0.001 0.000 0.266 1476 R C -1.671 174.765 176.300 0.227 0.000 1.091 1476 R CA -0.404 55.785 56.100 0.149 0.000 0.927 1476 R CB 0.947 31.279 30.300 0.054 0.000 1.240 1476 R HN 0.863 nan 8.270 nan 0.000 0.449 1477 F N -0.974 118.912 119.950 -0.108 0.000 2.693 1477 F HA 0.702 5.228 4.527 -0.001 0.000 0.309 1477 F C -1.077 174.634 175.800 -0.148 0.000 1.129 1477 F CA -1.448 56.476 58.000 -0.127 0.000 0.948 1477 F CB 1.645 40.560 39.000 -0.142 0.000 1.315 1477 F HN 0.387 nan 8.300 nan 0.000 0.447 1478 R N 2.196 122.555 120.500 -0.234 0.000 2.758 1478 R HA 0.884 5.224 4.340 -0.001 0.000 0.265 1478 R C -1.077 174.913 176.300 -0.517 0.000 1.016 1478 R CA -1.160 54.723 56.100 -0.361 0.000 1.040 1478 R CB 2.392 32.572 30.300 -0.200 0.000 1.152 1478 R HN 0.874 nan 8.270 nan 0.000 0.503 1479 I N -1.688 118.549 120.570 -0.555 0.000 2.692 1479 I HA 0.502 4.672 4.170 -0.001 0.000 0.293 1479 I C -1.303 174.533 176.117 -0.467 0.000 1.200 1479 I CA -1.217 59.682 61.300 -0.669 0.000 1.036 1479 I CB 2.017 39.748 38.000 -0.448 0.000 1.258 1479 I HN 0.444 nan 8.210 nan 0.000 0.421 1480 F N 1.607 121.532 119.950 -0.042 0.000 2.513 1480 F HA 0.567 5.094 4.527 -0.001 0.000 0.358 1480 F C 0.060 175.885 175.800 0.041 0.000 1.118 1480 F CA -1.434 56.611 58.000 0.075 0.000 1.037 1480 F CB 0.336 39.293 39.000 -0.072 0.000 1.276 1480 F HN 0.516 nan 8.300 nan 0.000 0.446 1481 E N 3.562 123.919 120.200 0.261 0.000 2.868 1481 E HA -0.128 4.222 4.350 -0.001 0.000 0.246 1481 E C 1.087 177.799 176.600 0.188 0.000 0.962 1481 E CA 0.223 56.735 56.400 0.188 0.000 0.955 1481 E CB 0.921 30.718 29.700 0.161 0.000 0.903 1481 E HN 0.920 nan 8.360 nan 0.000 0.524 1482 L N 5.606 126.887 121.223 0.097 0.000 2.376 1482 L HA -0.020 4.319 4.340 -0.001 0.000 0.219 1482 L C -0.004 176.833 176.870 -0.054 0.000 1.133 1482 L CA 0.684 55.495 54.840 -0.048 0.000 0.816 1482 L CB 0.096 42.029 42.059 -0.209 0.000 0.933 1482 L HN 0.508 nan 8.230 nan 0.000 0.449 1483 F N -2.447 117.537 119.950 0.056 0.000 3.332 1483 F HA 0.463 4.990 4.527 -0.001 0.000 0.327 1483 F C -1.213 174.595 175.800 0.014 0.000 1.128 1483 F CA -2.400 55.614 58.000 0.022 0.000 0.854 1483 F CB 0.060 39.066 39.000 0.011 0.000 1.500 1483 F HN -0.354 nan 8.300 nan 0.000 0.485 1484 E N 1.611 121.896 120.200 0.142 0.000 2.105 1484 E HA 0.547 4.896 4.350 -0.001 0.000 0.285 1484 E C -0.586 175.930 176.600 -0.140 0.000 1.055 1484 E CA -0.425 55.966 56.400 -0.015 0.000 0.843 1484 E CB 1.215 30.882 29.700 -0.055 0.000 1.067 1484 E HN 0.683 nan 8.360 nan 0.000 0.398 1485 V N 1.293 121.173 119.914 -0.056 0.000 2.384 1485 V HA 0.765 4.884 4.120 -0.001 0.000 0.287 1485 V C 0.967 177.003 176.094 -0.096 0.000 1.020 1485 V CA -0.861 61.397 62.300 -0.071 0.000 0.850 1485 V CB 1.278 33.121 31.823 0.034 0.000 0.987 1485 V HN 0.624 nan 8.190 nan 0.000 0.436 1486 G N 3.548 112.282 108.800 -0.110 0.000 2.418 1486 G HA2 0.235 4.194 3.960 -0.001 0.000 0.276 1486 G HA3 0.235 4.194 3.960 -0.001 0.000 0.276 1486 G C -0.056 174.749 174.900 -0.159 0.000 1.442 1486 G CA -0.792 44.172 45.100 -0.227 0.000 1.066 1486 G HN 0.864 nan 8.290 nan 0.000 0.553 1487 F N 0.381 120.303 119.950 -0.048 0.000 2.539 1487 F HA 0.263 4.790 4.527 -0.001 0.000 0.393 1487 F C 0.556 176.324 175.800 -0.054 0.000 1.032 1487 F CA -1.068 56.903 58.000 -0.049 0.000 1.120 1487 F CB -0.504 38.468 39.000 -0.046 0.000 1.014 1487 F HN 0.188 nan 8.300 nan 0.000 0.546 1488 L N 2.105 123.390 121.223 0.105 0.000 2.312 1488 L HA 0.578 4.917 4.340 -0.001 0.000 0.281 1488 L C 0.048 176.918 176.870 0.001 0.000 1.070 1488 L CA -1.304 53.562 54.840 0.044 0.000 0.805 1488 L CB 1.116 43.176 42.059 0.003 0.000 1.174 1488 L HN 0.537 nan 8.230 nan 0.000 0.434 1489 S N 3.016 118.704 115.700 -0.019 0.000 2.465 1489 S HA 0.678 5.148 4.470 -0.001 0.000 0.279 1489 S C -2.277 172.271 174.600 -0.087 0.000 1.201 1489 S CA -0.995 57.159 58.200 -0.077 0.000 1.053 1489 S CB 0.172 63.326 63.200 -0.077 0.000 0.953 1489 S HN 0.714 nan 8.310 nan 0.000 0.488 1490 P HA 0.217 nan 4.420 nan 0.000 0.270 1490 P C -0.038 177.293 177.300 0.052 0.000 1.221 1490 P CA -0.103 62.934 63.100 -0.106 0.000 0.788 1490 P CB 0.249 31.862 31.700 -0.145 0.000 0.904 1491 A N 0.992 123.936 122.820 0.208 0.000 2.717 1491 A HA 0.752 5.072 4.320 -0.001 0.000 0.262 1491 A C -0.268 177.733 177.584 0.694 0.000 1.483 1491 A CA 0.036 52.342 52.037 0.449 0.000 0.889 1491 A CB 0.034 19.325 19.000 0.485 0.000 1.604 1491 A HN 0.570 nan 8.150 nan 0.000 0.523 1492 T N -2.693 112.179 114.554 0.531 0.000 2.949 1492 T HA 0.508 4.858 4.350 -0.001 0.000 0.300 1492 T C -1.153 173.636 174.700 0.148 0.000 0.988 1492 T CA -0.170 62.136 62.100 0.345 0.000 0.993 1492 T CB 0.724 69.750 68.868 0.262 0.000 0.984 1492 T HN 0.785 nan 8.240 nan 0.000 0.442 1493 F N 3.652 123.483 119.950 -0.198 0.000 2.371 1493 F HA 0.643 5.170 4.527 -0.001 0.000 0.363 1493 F C 0.024 175.725 175.800 -0.166 0.000 1.122 1493 F CA -0.623 57.227 58.000 -0.250 0.000 1.129 1493 F CB 0.969 39.751 39.000 -0.364 0.000 1.173 1493 F HN 0.770 nan 8.300 nan 0.000 0.489 1494 T N 5.782 120.062 114.554 -0.457 0.000 2.856 1494 T HA 0.646 4.996 4.350 -0.001 0.000 0.283 1494 T C -1.700 172.538 174.700 -0.769 0.000 1.008 1494 T CA -0.624 61.111 62.100 -0.609 0.000 0.997 1494 T CB 1.213 69.834 68.868 -0.411 0.000 0.992 1494 T HN 0.562 nan 8.240 nan 0.000 0.454 1495 V N 8.007 127.475 119.914 -0.743 0.000 2.488 1495 V HA 0.697 4.816 4.120 -0.001 0.000 0.293 1495 V C -1.831 173.938 176.094 -0.543 0.000 1.027 1495 V CA -0.623 61.260 62.300 -0.694 0.000 0.862 1495 V CB 0.980 32.327 31.823 -0.792 0.000 1.008 1495 V HN 0.876 nan 8.190 nan 0.000 0.428 1496 Y N 2.526 122.593 120.300 -0.388 0.000 2.570 1496 Y HA 0.729 5.278 4.550 -0.001 0.000 0.345 1496 Y C -0.400 175.398 175.900 -0.169 0.000 1.014 1496 Y CA -2.843 55.140 58.100 -0.195 0.000 1.063 1496 Y CB 1.217 39.613 38.460 -0.107 0.000 1.272 1496 Y HN 0.676 nan 8.280 nan 0.000 0.477 1497 E N 1.771 122.063 120.200 0.154 0.000 2.223 1497 E HA 0.080 4.430 4.350 -0.001 0.000 0.282 1497 E C 0.062 176.547 176.600 -0.192 0.000 1.046 1497 E CA -0.273 56.118 56.400 -0.014 0.000 0.857 1497 E CB 0.421 30.123 29.700 0.003 0.000 1.055 1497 E HN 0.712 nan 8.360 nan 0.000 0.409 1498 Y N 4.467 124.499 120.300 -0.448 0.000 2.069 1498 Y HA -0.334 4.216 4.550 -0.001 0.000 0.278 1498 Y C 1.439 177.114 175.900 -0.375 0.000 1.175 1498 Y CA 2.510 60.274 58.100 -0.561 0.000 1.134 1498 Y CB -0.174 37.669 38.460 -1.028 0.000 0.965 1498 Y HN 0.771 nan 8.280 nan 0.000 0.498 1499 H N -0.968 118.011 119.070 -0.151 0.000 2.502 1499 H HA 0.101 4.656 4.556 -0.001 0.000 0.283 1499 H C 0.076 175.297 175.328 -0.178 0.000 1.015 1499 H CA 0.599 56.568 56.048 -0.132 0.000 1.298 1499 H CB 0.146 29.919 29.762 0.018 0.000 1.411 1499 H HN 0.163 nan 8.280 nan 0.000 0.556 1500 R N 0.077 120.517 120.500 -0.100 0.000 2.513 1500 R HA 0.229 4.569 4.340 -0.001 0.000 0.283 1500 R C -2.710 173.474 176.300 -0.193 0.000 1.535 1500 R CA -1.756 54.259 56.100 -0.142 0.000 1.315 1500 R CB 0.899 31.130 30.300 -0.114 0.000 1.163 1500 R HN -0.066 nan 8.270 nan 0.000 0.573 1501 P HA -0.131 nan 4.420 nan 0.000 0.240 1501 P C -0.278 176.919 177.300 -0.172 0.000 1.186 1501 P CA 0.930 63.822 63.100 -0.346 0.000 0.755 1501 P CB 0.186 31.633 31.700 -0.423 0.000 0.870 1502 D N -0.831 119.476 120.400 -0.155 0.000 2.289 1502 D HA -0.044 4.596 4.640 -0.001 0.000 0.207 1502 D C 1.106 177.384 176.300 -0.037 0.000 0.966 1502 D CA 0.804 54.731 54.000 -0.122 0.000 0.868 1502 D CB -0.121 40.589 40.800 -0.151 0.000 0.943 1502 D HN 0.083 nan 8.370 nan 0.000 0.514 1503 K N 0.857 121.268 120.400 0.018 0.000 2.589 1503 K HA 0.097 4.417 4.320 -0.001 0.000 0.204 1503 K C 0.235 176.966 176.600 0.218 0.000 1.029 1503 K CA -0.072 56.278 56.287 0.105 0.000 1.177 1503 K CB -0.521 32.081 32.500 0.170 0.000 0.902 1503 K HN 0.200 nan 8.250 nan 0.000 0.501 1504 Q N 0.322 120.205 119.800 0.139 0.000 2.465 1504 Q HA -0.007 4.332 4.340 -0.001 0.000 0.237 1504 Q C -0.711 175.311 176.000 0.037 0.000 1.288 1504 Q CA -0.059 55.813 55.803 0.114 0.000 0.888 1504 Q CB -0.027 28.767 28.738 0.094 0.000 1.570 1504 Q HN 0.172 nan 8.270 nan 0.000 0.532 1505 c N 3.811 122.448 118.600 0.062 0.000 2.383 1505 c HA 0.280 4.850 4.570 -0.001 0.000 0.350 1505 c C 0.225 174.217 174.090 -0.163 0.000 1.173 1505 c CA -0.184 56.130 56.329 -0.025 0.000 1.645 1505 c CB -0.863 41.673 42.510 0.044 0.000 2.221 1505 c HN 0.610 nan 8.230 nan 0.000 0.528 1506 T N 7.387 121.843 114.554 -0.163 0.000 2.859 1506 T HA 0.598 4.948 4.350 -0.001 0.000 0.281 1506 T C -0.480 174.103 174.700 -0.196 0.000 1.005 1506 T CA -0.314 61.651 62.100 -0.226 0.000 1.025 1506 T CB 1.377 70.122 68.868 -0.205 0.000 0.977 1506 T HN 0.813 nan 8.240 nan 0.000 0.458 1507 M N 3.087 122.576 119.600 -0.184 0.000 2.322 1507 M HA 0.458 4.938 4.480 -0.001 0.000 0.285 1507 M C -1.770 174.579 176.300 0.081 0.000 1.119 1507 M CA -0.710 54.551 55.300 -0.065 0.000 0.953 1507 M CB 1.290 33.919 32.600 0.047 0.000 1.701 1507 M HN 0.419 nan 8.290 nan 0.000 0.479 1508 F N 4.478 124.515 119.950 0.146 0.000 2.450 1508 F HA 0.502 5.029 4.527 -0.001 0.000 0.339 1508 F C -0.071 175.932 175.800 0.338 0.000 1.146 1508 F CA 0.207 58.340 58.000 0.221 0.000 1.267 1508 F CB 0.403 39.500 39.000 0.161 0.000 1.178 1508 F HN 0.518 nan 8.300 nan 0.000 0.585 1509 Y N -1.215 119.274 120.300 0.316 0.000 2.604 1509 Y HA 0.548 5.097 4.550 -0.001 0.000 0.331 1509 Y C -1.390 174.566 175.900 0.093 0.000 1.158 1509 Y CA -1.080 57.122 58.100 0.170 0.000 1.056 1509 Y CB 1.390 39.943 38.460 0.155 0.000 1.330 1509 Y HN 0.429 nan 8.280 nan 0.000 0.457 1510 S N 0.696 116.227 115.700 -0.282 0.000 2.513 1510 S HA 0.318 4.787 4.470 -0.001 0.000 0.299 1510 S C -0.072 174.274 174.600 -0.424 0.000 1.087 1510 S CA -0.317 57.643 58.200 -0.400 0.000 1.012 1510 S CB 1.887 64.977 63.200 -0.183 0.000 1.044 1510 S HN 0.841 nan 8.310 nan 0.000 0.485 1511 T N 2.424 116.729 114.554 -0.415 0.000 3.272 1511 T HA 0.333 4.682 4.350 -0.001 0.000 0.250 1511 T C -0.131 174.442 174.700 -0.213 0.000 1.082 1511 T CA 0.409 62.311 62.100 -0.329 0.000 0.968 1511 T CB -0.773 67.919 68.868 -0.294 0.000 1.015 1511 T HN 0.702 nan 8.240 nan 0.000 0.563 1512 S N -0.195 115.401 115.700 -0.173 0.000 2.537 1512 S HA 0.397 4.866 4.470 -0.001 0.000 0.271 1512 S C -0.015 174.528 174.600 -0.095 0.000 1.148 1512 S CA -0.978 57.146 58.200 -0.126 0.000 0.868 1512 S CB 1.095 64.229 63.200 -0.110 0.000 1.115 1512 S HN 0.109 nan 8.310 nan 0.000 0.461 1513 N N 1.511 120.165 118.700 -0.077 0.000 2.336 1513 N HA 0.223 4.962 4.740 -0.001 0.000 0.189 1513 N C 0.790 176.273 175.510 -0.044 0.000 1.113 1513 N CA 0.031 53.048 53.050 -0.055 0.000 0.858 1513 N CB -0.297 38.161 38.487 -0.048 0.000 0.970 1513 N HN 0.662 nan 8.380 nan 0.000 0.471 1514 I N 0.000 120.539 120.570 -0.051 0.000 2.984 1514 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 1514 I CA 0.000 61.274 61.300 -0.043 0.000 1.566 1514 I CB 0.000 37.967 38.000 -0.056 0.000 1.214 1514 I HN 0.000 nan 8.210 nan 0.000 0.494