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 2fhr_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLAPGSSRVE LFKRKNSTVP FEESNGTIRE RVVHSFRIPT IVNVDGVMVA DATA SEQUENCE IADARYETSF DNSFIETAVK YSVDDGATWN TQIAIKNSRA SSVSRVMDAT DATA SEQUENCE VIVKGNKLYI LVGSFNKTRN SWTQHRDGSD WEPLLVVGEV TKSAANGKTT DATA SEQUENCE ATISWGKPVS LKPLFPAEFD GILTKEFIGG VGAAIVASNG NLVYPVQIAD DATA SEQUENCE MGGRVFTKIM YSEDDGNTWK FAEGRSKFGC SEPAVLEWEG KLIINNRVDG DATA SEQUENCE NRRLVYESSD MGKTWVEALG TLSHVWTNSP TSNQQDCQSS FVAVTIEGKR DATA SEQUENCE VMLFTHPLNL KGRWMRDRLH LWMTDNQRIF DVGQISIGDE NSGYSSVLYK DATA SEQUENCE DDKLYSLHEI NTNDVYSLVF VRLIGELQLM KSVVRTWKEE DNHLASIcTP DATA SEQUENCE VXXXXXXXKG GcGAAVPTAG LVGFLSHSAN GSVWEDVYRC VDANVANAER DATA SEQUENCE VPNGLKFNGV GGGAVWPVAR QGQTRRYQFA NYRFTLVATV TIDELPKGTS DATA SEQUENCE PLLGAGLEGP GDAKLLGLSY DKNRQWRPLY GAAPASPTGS WELHKKYHVV DATA SEQUENCE LTMADRQGSV YVDGQPLAGS GNTVVRGATL PDISHFYIGG PRSKGAPTDS DATA SEQUENCE RVTVTNVVLY NRRLNSSEIR TLFLSQDMIG TD 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.549 174.600 -0.085 0.000 1.055 0 S CA 0.000 58.150 58.200 -0.083 0.000 1.107 0 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 1 L N 2.467 123.649 121.223 -0.069 0.000 2.972 1 L HA 0.108 4.447 4.340 -0.001 0.000 0.312 1 L C 0.610 177.455 176.870 -0.042 0.000 1.169 1 L CA 1.052 55.863 54.840 -0.049 0.000 0.873 1 L CB -0.738 41.311 42.059 -0.017 0.000 1.237 1 L HN 0.862 nan 8.230 nan 0.000 0.510 2 A N 6.816 129.608 122.820 -0.046 0.000 2.425 2 A HA 0.517 4.836 4.320 -0.001 0.000 0.242 2 A C -2.149 175.421 177.584 -0.023 0.000 1.077 2 A CA -1.119 50.897 52.037 -0.036 0.000 0.781 2 A CB -0.512 18.468 19.000 -0.034 0.000 1.020 2 A HN 0.739 nan 8.150 nan 0.000 0.494 3 P HA 0.242 nan 4.420 nan 0.000 0.264 3 P C 1.074 178.367 177.300 -0.012 0.000 1.183 3 P CA 1.943 65.036 63.100 -0.011 0.000 0.763 3 P CB 0.590 32.285 31.700 -0.008 0.000 0.807 4 G N 1.583 110.378 108.800 -0.010 0.000 2.284 4 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.230 4 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.230 4 G C 0.421 175.313 174.900 -0.014 0.000 1.021 4 G CA 0.056 45.150 45.100 -0.010 0.000 0.619 4 G HN 0.590 nan 8.290 nan 0.000 0.510 5 S N 0.326 116.015 115.700 -0.019 0.000 2.632 5 S HA 0.780 5.249 4.470 -0.001 0.000 0.271 5 S C 0.295 174.886 174.600 -0.015 0.000 1.260 5 S CA 0.466 58.651 58.200 -0.025 0.000 1.010 5 S CB 1.714 64.894 63.200 -0.032 0.000 0.965 5 S HN 1.793 nan 8.310 nan 0.000 0.534 6 S N 0.807 116.496 115.700 -0.018 0.000 2.588 6 S HA 0.800 5.269 4.470 -0.001 0.000 0.269 6 S C -1.130 173.459 174.600 -0.018 0.000 1.157 6 S CA -1.231 56.965 58.200 -0.006 0.000 0.824 6 S CB 1.807 65.013 63.200 0.010 0.000 1.126 6 S HN 0.984 nan 8.310 nan 0.000 0.464 7 R N -0.538 119.962 120.500 0.000 0.000 2.764 7 R HA 0.855 5.194 4.340 -0.001 0.000 0.270 7 R C -1.498 174.828 176.300 0.042 0.000 1.014 7 R CA -0.948 55.151 56.100 -0.002 0.000 0.904 7 R CB 1.418 31.714 30.300 -0.007 0.000 1.236 7 R HN 1.239 nan 8.270 nan 0.000 0.466 8 V N -1.947 118.017 119.914 0.082 0.000 2.914 8 V HA 0.490 4.610 4.120 -0.001 0.000 0.314 8 V C -0.339 175.785 176.094 0.050 0.000 1.084 8 V CA -0.995 61.353 62.300 0.080 0.000 0.963 8 V CB 1.855 33.749 31.823 0.120 0.000 1.025 8 V HN 0.984 nan 8.190 nan 0.000 0.432 9 E N 1.543 121.748 120.200 0.009 0.000 1.985 9 E HA 0.139 4.488 4.350 -0.001 0.000 0.268 9 E C 0.451 177.002 176.600 -0.081 0.000 1.219 9 E CA -0.224 56.163 56.400 -0.020 0.000 0.942 9 E CB 0.930 30.622 29.700 -0.015 0.000 1.045 9 E HN 0.752 nan 8.360 nan 0.000 0.413 10 L N 5.336 126.492 121.223 -0.111 0.000 2.127 10 L HA 0.146 4.485 4.340 -0.001 0.000 0.203 10 L C -0.134 176.384 176.870 -0.587 0.000 1.080 10 L CA 1.372 55.992 54.840 -0.366 0.000 0.768 10 L CB 0.268 42.056 42.059 -0.452 0.000 0.924 10 L HN 0.382 nan 8.230 nan 0.000 0.444 11 F N 1.660 121.323 119.950 -0.477 0.000 2.311 11 F HA 0.372 4.898 4.527 -0.001 0.000 0.371 11 F C 0.114 175.654 175.800 -0.434 0.000 1.083 11 F CA -0.783 56.740 58.000 -0.794 0.000 1.113 11 F CB 0.565 38.890 39.000 -1.126 0.000 1.349 11 F HN -0.234 nan 8.300 nan 0.000 0.470 12 K N 4.495 124.816 120.400 -0.131 0.000 2.253 12 K HA 0.280 4.600 4.320 -0.001 0.000 0.277 12 K C 0.147 176.907 176.600 0.265 0.000 1.053 12 K CA -0.774 55.554 56.287 0.068 0.000 0.892 12 K CB 1.142 33.644 32.500 0.004 0.000 1.102 12 K HN 0.668 nan 8.250 nan 0.000 0.469 13 R N 2.677 123.339 120.500 0.270 0.000 2.583 13 R HA -0.060 4.280 4.340 -0.001 0.000 0.274 13 R C -0.536 175.806 176.300 0.070 0.000 0.998 13 R CA 0.158 56.365 56.100 0.179 0.000 1.081 13 R CB -0.124 30.212 30.300 0.060 0.000 0.940 13 R HN 0.599 nan 8.270 nan 0.000 0.413 14 K N 0.742 121.158 120.400 0.027 0.000 3.077 14 K HA -0.300 4.019 4.320 -0.001 0.000 0.264 14 K C -0.044 176.584 176.600 0.047 0.000 1.008 14 K CA 1.178 57.471 56.287 0.010 0.000 0.740 14 K CB -0.937 31.535 32.500 -0.048 0.000 1.273 14 K HN 0.908 nan 8.250 nan 0.000 0.477 15 N N -0.950 117.806 118.700 0.092 0.000 2.584 15 N HA -0.019 4.720 4.740 -0.001 0.000 0.318 15 N C -0.843 174.721 175.510 0.089 0.000 0.669 15 N CA 0.212 53.305 53.050 0.070 0.000 1.248 15 N CB 0.379 38.894 38.487 0.047 0.000 1.659 15 N HN 0.047 nan 8.380 nan 0.000 1.460 16 S N 1.680 117.456 115.700 0.128 0.000 2.515 16 S HA 0.192 4.662 4.470 -0.001 0.000 0.285 16 S C 0.260 174.973 174.600 0.188 0.000 1.265 16 S CA 0.080 58.335 58.200 0.092 0.000 1.079 16 S CB 0.311 63.489 63.200 -0.037 0.000 0.877 16 S HN 0.470 nan 8.310 nan 0.000 0.493 17 T N 0.179 114.801 114.554 0.112 0.000 2.922 17 T HA 0.641 4.990 4.350 -0.001 0.000 0.285 17 T C 0.052 174.848 174.700 0.159 0.000 1.005 17 T CA -0.902 61.285 62.100 0.145 0.000 1.061 17 T CB 0.968 69.897 68.868 0.103 0.000 1.007 17 T HN 0.491 nan 8.240 nan 0.000 0.502 18 V N -1.363 118.683 119.914 0.219 0.000 2.769 18 V HA 0.735 4.854 4.120 -0.001 0.000 0.312 18 V C -2.852 173.391 176.094 0.249 0.000 1.061 18 V CA -3.179 59.257 62.300 0.227 0.000 0.931 18 V CB 1.779 33.769 31.823 0.278 0.000 1.010 18 V HN 0.795 nan 8.190 nan 0.000 0.433 19 P HA 0.156 nan 4.420 nan 0.000 0.263 19 P C -0.639 176.806 177.300 0.242 0.000 1.601 19 P CA 0.135 63.349 63.100 0.190 0.000 1.161 19 P CB -0.302 31.477 31.700 0.132 0.000 1.730 20 F N 2.682 122.715 119.950 0.138 0.000 2.495 20 F HA 0.194 4.720 4.527 -0.001 0.000 0.365 20 F C 0.598 176.437 175.800 0.064 0.000 1.090 20 F CA -0.512 57.557 58.000 0.115 0.000 1.235 20 F CB 0.710 39.752 39.000 0.070 0.000 1.119 20 F HN 0.195 nan 8.300 nan 0.000 0.562 21 E N 5.426 125.272 120.200 -0.589 0.000 2.174 21 E HA 0.157 4.506 4.350 -0.001 0.000 0.282 21 E C -0.577 175.539 176.600 -0.807 0.000 0.992 21 E CA -0.741 55.366 56.400 -0.488 0.000 0.803 21 E CB 0.733 30.269 29.700 -0.274 0.000 1.090 21 E HN 0.594 nan 8.360 nan 0.000 0.396 22 E N 2.159 122.094 120.200 -0.442 0.000 2.369 22 E HA 0.096 4.445 4.350 -0.001 0.000 0.255 22 E C 1.182 177.672 176.600 -0.182 0.000 1.172 22 E CA 0.462 56.694 56.400 -0.280 0.000 0.932 22 E CB 0.903 30.562 29.700 -0.069 0.000 1.040 22 E HN 0.782 nan 8.360 nan 0.000 0.454 23 S N 2.099 117.743 115.700 -0.094 0.000 2.380 23 S HA -0.259 4.210 4.470 -0.001 0.000 0.229 23 S C 1.464 176.036 174.600 -0.046 0.000 1.043 23 S CA 2.279 60.447 58.200 -0.053 0.000 1.038 23 S CB -0.640 62.550 63.200 -0.017 0.000 0.872 23 S HN 0.590 nan 8.310 nan 0.000 0.456 24 N N 0.417 119.094 118.700 -0.038 0.000 2.459 24 N HA 0.180 4.919 4.740 -0.001 0.000 0.181 24 N C 1.228 176.718 175.510 -0.033 0.000 1.046 24 N CA 1.611 54.645 53.050 -0.028 0.000 0.904 24 N CB -0.567 37.910 38.487 -0.016 0.000 0.964 24 N HN 0.969 nan 8.380 nan 0.000 0.444 25 G N -0.749 108.019 108.800 -0.053 0.000 2.179 25 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.220 25 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.220 25 G C 0.072 174.946 174.900 -0.043 0.000 0.990 25 G CA 0.281 45.350 45.100 -0.052 0.000 0.646 25 G HN 0.753 nan 8.290 nan 0.000 0.517 26 T N 0.576 115.108 114.554 -0.037 0.000 2.907 26 T HA 0.646 4.995 4.350 -0.001 0.000 0.298 26 T C 0.482 175.165 174.700 -0.028 0.000 1.017 26 T CA -0.511 61.578 62.100 -0.019 0.000 1.118 26 T CB 1.911 70.778 68.868 -0.002 0.000 0.948 26 T HN 0.325 nan 8.240 nan 0.000 0.531 27 I N 3.175 123.745 120.570 -0.001 0.000 2.353 27 I HA 0.408 4.577 4.170 -0.001 0.000 0.293 27 I C 0.665 176.818 176.117 0.061 0.000 0.992 27 I CA -0.668 60.644 61.300 0.020 0.000 1.268 27 I CB 0.928 38.949 38.000 0.035 0.000 1.387 27 I HN 0.867 nan 8.210 nan 0.000 0.478 28 R N 3.779 124.347 120.500 0.113 0.000 2.575 28 R HA 0.490 4.829 4.340 -0.001 0.000 0.293 28 R C -0.794 175.607 176.300 0.169 0.000 0.983 28 R CA -0.833 55.345 56.100 0.130 0.000 0.887 28 R CB 1.798 32.178 30.300 0.133 0.000 1.184 28 R HN 0.297 nan 8.270 nan 0.000 0.445 29 E N 2.969 123.246 120.200 0.128 0.000 2.585 29 E HA -0.070 4.279 4.350 -0.001 0.000 0.252 29 E C -0.594 176.093 176.600 0.144 0.000 0.981 29 E CA 0.500 56.980 56.400 0.134 0.000 0.943 29 E CB 0.612 30.368 29.700 0.093 0.000 0.923 29 E HN 0.444 nan 8.360 nan 0.000 0.486 30 R N 2.466 123.081 120.500 0.191 0.000 2.439 30 R HA 0.316 4.655 4.340 -0.001 0.000 0.310 30 R C -0.769 175.647 176.300 0.193 0.000 0.955 30 R CA -0.656 55.545 56.100 0.168 0.000 0.853 30 R CB 1.008 31.395 30.300 0.144 0.000 1.171 30 R HN 0.218 nan 8.270 nan 0.000 0.449 31 V N 4.407 124.402 119.914 0.134 0.000 2.843 31 V HA 0.146 4.265 4.120 -0.001 0.000 0.305 31 V C -0.063 176.106 176.094 0.124 0.000 1.065 31 V CA -0.153 62.220 62.300 0.122 0.000 1.116 31 V CB 1.475 33.346 31.823 0.080 0.000 0.968 31 V HN 0.492 nan 8.190 nan 0.000 0.487 32 V N 3.700 123.644 119.914 0.051 0.000 2.531 32 V HA 0.266 4.385 4.120 -0.001 0.000 0.301 32 V C 0.856 176.861 176.094 -0.149 0.000 1.034 32 V CA -0.455 61.749 62.300 -0.159 0.000 0.865 32 V CB 1.251 32.722 31.823 -0.586 0.000 0.995 32 V HN 1.001 nan 8.190 nan 0.000 0.424 33 H N 3.091 122.062 119.070 -0.165 0.000 2.270 33 H HA 0.025 4.580 4.556 -0.001 0.000 0.299 33 H C 0.456 175.718 175.328 -0.110 0.000 1.077 33 H CA 1.772 57.768 56.048 -0.086 0.000 1.294 33 H CB 0.604 30.341 29.762 -0.040 0.000 1.371 33 H HN 0.565 nan 8.280 nan 0.000 0.491 34 S N -0.600 115.103 115.700 0.004 0.000 2.536 34 S HA 0.431 4.900 4.470 -0.001 0.000 0.287 34 S C -1.380 173.003 174.600 -0.361 0.000 1.101 34 S CA -0.629 57.564 58.200 -0.012 0.000 0.950 34 S CB 1.696 65.046 63.200 0.249 0.000 1.056 34 S HN 0.204 nan 8.310 nan 0.000 0.481 35 F N 2.248 122.211 119.950 0.021 0.000 2.426 35 F HA 0.585 5.112 4.527 -0.001 0.000 0.348 35 F C 0.858 176.579 175.800 -0.132 0.000 1.124 35 F CA -0.580 57.369 58.000 -0.086 0.000 1.008 35 F CB 1.214 40.178 39.000 -0.061 0.000 1.139 35 F HN 0.216 nan 8.300 nan 0.000 0.452 36 R N 2.742 123.192 120.500 -0.083 0.000 2.888 36 R HA 0.596 4.935 4.340 -0.001 0.000 0.264 36 R C -0.838 175.352 176.300 -0.184 0.000 1.045 36 R CA -1.088 54.889 56.100 -0.204 0.000 0.962 36 R CB 2.061 32.109 30.300 -0.418 0.000 1.210 36 R HN 0.558 nan 8.270 nan 0.000 0.479 37 I N -0.336 120.135 120.570 -0.164 0.000 6.631 37 I HA -0.145 4.024 4.170 -0.001 0.000 0.126 37 I C -2.336 173.773 176.117 -0.014 0.000 1.826 37 I CA -0.166 61.123 61.300 -0.018 0.000 2.046 37 I CB -2.400 35.567 38.000 -0.056 0.000 3.516 37 I HN 0.487 nan 8.210 nan 0.000 0.172 38 P HA 0.413 nan 4.420 nan 0.000 0.279 38 P C -0.141 177.172 177.300 0.021 0.000 1.239 38 P CA 0.254 63.315 63.100 -0.064 0.000 0.789 38 P CB 1.490 33.163 31.700 -0.045 0.000 0.933 39 T N 3.453 118.017 114.554 0.018 0.000 2.921 39 T HA 0.534 4.883 4.350 -0.001 0.000 0.297 39 T C -0.354 174.411 174.700 0.108 0.000 1.013 39 T CA -0.379 61.770 62.100 0.081 0.000 0.990 39 T CB 1.101 70.026 68.868 0.096 0.000 1.023 39 T HN 0.365 nan 8.240 nan 0.000 0.447 40 I N 4.276 124.938 120.570 0.153 0.000 2.436 40 I HA 0.752 4.921 4.170 -0.001 0.000 0.289 40 I C -0.749 175.485 176.117 0.195 0.000 1.010 40 I CA -0.844 60.571 61.300 0.192 0.000 1.098 40 I CB 0.851 38.998 38.000 0.246 0.000 1.266 40 I HN 0.544 nan 8.210 nan 0.000 0.434 41 V N 3.303 123.330 119.914 0.189 0.000 3.141 41 V HA 0.652 4.771 4.120 -0.001 0.000 0.312 41 V C -0.991 175.192 176.094 0.148 0.000 1.157 41 V CA -0.879 61.523 62.300 0.170 0.000 1.041 41 V CB 1.838 33.756 31.823 0.159 0.000 1.071 41 V HN 0.791 nan 8.190 nan 0.000 0.441 42 N N 0.832 119.607 118.700 0.126 0.000 2.425 42 N HA 0.568 5.308 4.740 -0.001 0.000 0.268 42 N C -1.155 174.396 175.510 0.069 0.000 0.991 42 N CA -0.391 52.713 53.050 0.090 0.000 0.931 42 N CB 1.561 40.099 38.487 0.084 0.000 1.130 42 N HN 0.701 nan 8.380 nan 0.000 0.493 43 V N 3.679 123.619 119.914 0.045 0.000 2.305 43 V HA 0.260 4.379 4.120 -0.001 0.000 0.275 43 V C 0.009 176.100 176.094 -0.006 0.000 1.020 43 V CA -0.662 61.649 62.300 0.017 0.000 0.811 43 V CB 0.631 32.448 31.823 -0.009 0.000 1.031 43 V HN 0.870 nan 8.190 nan 0.000 0.439 44 D N 4.296 124.696 120.400 -0.000 0.000 2.746 44 D HA -0.168 4.471 4.640 -0.001 0.000 0.236 44 D C 1.220 177.510 176.300 -0.016 0.000 1.129 44 D CA 2.008 56.001 54.000 -0.012 0.000 0.691 44 D CB -1.125 39.658 40.800 -0.028 0.000 1.077 44 D HN 1.421 nan 8.370 nan 0.000 0.432 45 G N -2.155 106.640 108.800 -0.008 0.000 2.176 45 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.253 45 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.253 45 G C 0.258 175.143 174.900 -0.026 0.000 0.979 45 G CA 0.236 45.327 45.100 -0.015 0.000 0.641 45 G HN 1.004 nan 8.290 nan 0.000 0.530 46 V N 1.994 121.897 119.914 -0.018 0.000 2.384 46 V HA 0.591 4.710 4.120 -0.001 0.000 0.287 46 V C 0.745 176.844 176.094 0.008 0.000 1.020 46 V CA -0.611 61.678 62.300 -0.018 0.000 0.850 46 V CB 1.656 33.471 31.823 -0.014 0.000 0.987 46 V HN 0.336 nan 8.190 nan 0.000 0.436 47 M N 4.675 124.259 119.600 -0.027 0.000 2.188 47 M HA 0.373 4.852 4.480 -0.001 0.000 0.354 47 M C -0.813 175.598 176.300 0.185 0.000 1.342 47 M CA 0.043 55.364 55.300 0.035 0.000 1.117 47 M CB 1.079 33.629 32.600 -0.083 0.000 1.670 47 M HN 0.420 nan 8.290 nan 0.000 0.466 48 V N 3.122 123.176 119.914 0.233 0.000 2.483 48 V HA 0.689 4.808 4.120 -0.001 0.000 0.297 48 V C -0.312 175.956 176.094 0.291 0.000 1.027 48 V CA -0.856 61.627 62.300 0.306 0.000 0.855 48 V CB 1.558 33.531 31.823 0.251 0.000 0.995 48 V HN 0.914 nan 8.190 nan 0.000 0.424 49 A N 6.158 129.171 122.820 0.321 0.000 2.304 49 A HA 0.931 5.250 4.320 -0.001 0.000 0.314 49 A C -0.950 176.759 177.584 0.209 0.000 1.187 49 A CA -0.369 51.808 52.037 0.233 0.000 0.810 49 A CB 0.629 19.756 19.000 0.213 0.000 1.183 49 A HN 0.713 nan 8.150 nan 0.000 0.487 50 I N 1.639 122.254 120.570 0.076 0.000 2.474 50 I HA 0.753 4.922 4.170 -0.001 0.000 0.294 50 I C 0.370 176.400 176.117 -0.145 0.000 1.005 50 I CA 0.036 61.344 61.300 0.014 0.000 1.113 50 I CB 2.178 40.204 38.000 0.044 0.000 1.289 50 I HN 0.801 nan 8.210 nan 0.000 0.436 51 A N 3.196 125.911 122.820 -0.174 0.000 2.606 51 A HA 0.667 4.986 4.320 -0.001 0.000 0.293 51 A C -1.701 175.804 177.584 -0.131 0.000 1.082 51 A CA -0.757 51.136 52.037 -0.241 0.000 0.685 51 A CB 1.043 19.710 19.000 -0.555 0.000 1.284 51 A HN 0.545 nan 8.150 nan 0.000 0.408 52 D N 1.513 121.828 120.400 -0.142 0.000 2.383 52 D HA 0.463 5.103 4.640 -0.001 0.000 0.252 52 D C 0.292 176.491 176.300 -0.168 0.000 1.166 52 D CA 0.951 54.854 54.000 -0.163 0.000 0.879 52 D CB 1.278 41.956 40.800 -0.202 0.000 1.164 52 D HN 0.748 nan 8.370 nan 0.000 0.462 53 A N 4.333 127.005 122.820 -0.246 0.000 2.366 53 A HA 0.283 4.602 4.320 -0.001 0.000 0.322 53 A C 0.222 177.421 177.584 -0.642 0.000 1.397 53 A CA -0.637 51.080 52.037 -0.535 0.000 0.984 53 A CB 0.127 18.786 19.000 -0.567 0.000 1.149 53 A HN 0.420 nan 8.150 nan 0.000 0.540 54 R N 2.987 123.176 120.500 -0.519 0.000 2.408 54 R HA 0.211 4.550 4.340 -0.001 0.000 0.308 54 R C -0.386 175.778 176.300 -0.226 0.000 1.210 54 R CA -0.078 55.845 56.100 -0.296 0.000 1.115 54 R CB 0.165 30.331 30.300 -0.222 0.000 1.127 54 R HN 0.851 nan 8.270 nan 0.000 0.523 55 Y N 0.997 121.258 120.300 -0.063 0.000 2.181 55 Y HA -0.220 4.329 4.550 -0.001 0.000 0.288 55 Y C 1.966 177.857 175.900 -0.016 0.000 1.146 55 Y CA 1.269 59.348 58.100 -0.035 0.000 1.164 55 Y CB 0.364 38.858 38.460 0.055 0.000 0.982 55 Y HN 0.432 nan 8.280 nan 0.000 0.515 56 E N -1.442 118.842 120.200 0.140 0.000 2.330 56 E HA 0.108 4.457 4.350 -0.001 0.000 0.200 56 E C 0.641 177.116 176.600 -0.208 0.000 0.922 56 E CA 0.669 57.080 56.400 0.019 0.000 0.935 56 E CB 0.480 30.189 29.700 0.014 0.000 0.917 56 E HN 0.202 nan 8.360 nan 0.000 0.491 57 T N -1.130 113.245 114.554 -0.298 0.000 2.792 57 T HA 0.200 4.549 4.350 -0.001 0.000 0.303 57 T C 0.457 174.950 174.700 -0.345 0.000 1.310 57 T CA 0.095 61.838 62.100 -0.594 0.000 1.007 57 T CB 1.325 70.047 68.868 -0.244 0.000 1.335 57 T HN -0.056 nan 8.240 nan 0.000 0.504 58 S N 1.291 116.852 115.700 -0.231 0.000 2.562 58 S HA 0.184 4.653 4.470 -0.001 0.000 0.221 58 S C 0.671 175.221 174.600 -0.083 0.000 0.975 58 S CA -0.408 57.766 58.200 -0.044 0.000 0.918 58 S CB -0.732 62.592 63.200 0.206 0.000 0.772 58 S HN 0.600 nan 8.310 nan 0.000 0.531 59 F N 3.213 123.049 119.950 -0.190 0.000 2.572 59 F HA 0.111 4.637 4.527 -0.001 0.000 0.370 59 F C 0.970 176.667 175.800 -0.171 0.000 1.103 59 F CA -0.371 57.526 58.000 -0.173 0.000 1.286 59 F CB 0.544 39.458 39.000 -0.142 0.000 1.105 59 F HN -0.036 nan 8.300 nan 0.000 0.583 60 D N 2.892 122.851 120.400 -0.734 0.000 2.133 60 D HA -0.228 4.412 4.640 -0.001 0.000 0.195 60 D C 0.445 176.311 176.300 -0.723 0.000 0.997 60 D CA 1.489 55.092 54.000 -0.662 0.000 0.840 60 D CB -0.247 40.213 40.800 -0.568 0.000 0.947 60 D HN 0.486 nan 8.370 nan 0.000 0.452 61 N N 1.083 118.996 118.700 -1.312 0.000 2.895 61 N HA 0.084 4.823 4.740 -0.001 0.000 0.277 61 N C -0.285 175.143 175.510 -0.137 0.000 1.185 61 N CA 0.117 52.748 53.050 -0.699 0.000 1.106 61 N CB 0.341 38.489 38.487 -0.565 0.000 1.422 61 N HN 0.154 nan 8.380 nan 0.000 0.521 62 S N -0.190 115.460 115.700 -0.083 0.000 2.703 62 S HA 0.366 4.835 4.470 -0.001 0.000 0.273 62 S C -1.033 173.626 174.600 0.098 0.000 1.178 62 S CA -0.918 57.334 58.200 0.086 0.000 0.838 62 S CB 0.856 64.124 63.200 0.113 0.000 1.178 62 S HN 0.110 nan 8.310 nan 0.000 0.494 63 F N 1.656 121.618 119.950 0.020 0.000 2.438 63 F HA 0.690 5.216 4.527 -0.001 0.000 0.360 63 F C -0.500 175.380 175.800 0.134 0.000 1.118 63 F CA -0.392 57.644 58.000 0.060 0.000 1.164 63 F CB -0.187 38.829 39.000 0.027 0.000 1.131 63 F HN 0.466 nan 8.300 nan 0.000 0.527 64 I N 5.351 125.767 120.570 -0.257 0.000 2.686 64 I HA 0.399 4.568 4.170 -0.001 0.000 0.295 64 I C -0.979 175.014 176.117 -0.207 0.000 1.114 64 I CA -0.744 60.448 61.300 -0.179 0.000 1.038 64 I CB 2.400 40.298 38.000 -0.169 0.000 1.238 64 I HN 0.459 nan 8.210 nan 0.000 0.420 65 E N 2.351 122.485 120.200 -0.109 0.000 2.393 65 E HA 0.426 4.775 4.350 -0.001 0.000 0.273 65 E C -1.311 175.229 176.600 -0.099 0.000 0.918 65 E CA -0.906 55.461 56.400 -0.055 0.000 0.773 65 E CB 2.594 32.383 29.700 0.148 0.000 1.275 65 E HN 0.421 nan 8.360 nan 0.000 0.451 66 T N 1.516 116.005 114.554 -0.107 0.000 2.723 66 T HA 0.414 4.763 4.350 -0.001 0.000 0.297 66 T C -0.220 174.413 174.700 -0.111 0.000 0.925 66 T CA -0.389 61.632 62.100 -0.133 0.000 1.030 66 T CB 0.507 69.263 68.868 -0.186 0.000 0.905 66 T HN 0.464 nan 8.240 nan 0.000 0.502 67 A N 3.630 126.432 122.820 -0.029 0.000 2.293 67 A HA 0.789 5.108 4.320 -0.001 0.000 0.302 67 A C -0.299 177.339 177.584 0.089 0.000 1.119 67 A CA -0.567 51.515 52.037 0.075 0.000 0.823 67 A CB 0.799 19.947 19.000 0.245 0.000 1.097 67 A HN 0.646 nan 8.150 nan 0.000 0.491 68 V N 1.604 121.611 119.914 0.156 0.000 2.841 68 V HA 0.454 4.573 4.120 -0.001 0.000 0.310 68 V C -0.358 175.910 176.094 0.291 0.000 1.090 68 V CA -0.679 61.772 62.300 0.250 0.000 0.930 68 V CB 2.142 34.126 31.823 0.269 0.000 1.014 68 V HN 0.945 nan 8.190 nan 0.000 0.425 69 K N 3.493 124.073 120.400 0.299 0.000 2.378 69 K HA 0.708 5.027 4.320 -0.001 0.000 0.252 69 K C -1.735 175.151 176.600 0.476 0.000 0.931 69 K CA -0.695 55.682 56.287 0.151 0.000 0.794 69 K CB 2.426 34.685 32.500 -0.402 0.000 1.181 69 K HN 0.743 nan 8.250 nan 0.000 0.425 70 Y N -1.647 118.902 120.300 0.416 0.000 2.553 70 Y HA 0.729 5.278 4.550 -0.001 0.000 0.347 70 Y C -0.776 175.141 175.900 0.029 0.000 1.019 70 Y CA -1.030 57.238 58.100 0.280 0.000 1.032 70 Y CB 2.114 40.668 38.460 0.157 0.000 1.284 70 Y HN 0.435 nan 8.280 nan 0.000 0.466 71 S N 1.207 116.789 115.700 -0.198 0.000 2.541 71 S HA 0.549 5.018 4.470 -0.001 0.000 0.271 71 S C -0.480 173.935 174.600 -0.308 0.000 1.133 71 S CA -0.115 57.732 58.200 -0.589 0.000 0.876 71 S CB 1.570 63.842 63.200 -1.546 0.000 1.105 71 S HN 1.531 nan 8.310 nan 0.000 0.470 72 V N 0.334 120.100 119.914 -0.246 0.000 3.477 72 V HA 0.465 4.584 4.120 -0.001 0.000 0.297 72 V C 0.020 176.015 176.094 -0.165 0.000 1.433 72 V CA 0.588 62.799 62.300 -0.147 0.000 1.052 72 V CB -0.019 31.763 31.823 -0.069 0.000 0.895 72 V HN 0.782 nan 8.190 nan 0.000 0.438 73 D N -0.982 119.271 120.400 -0.246 0.000 2.788 73 D HA 0.200 4.839 4.640 -0.001 0.000 0.289 73 D C 0.003 176.182 176.300 -0.201 0.000 1.340 73 D CA -0.397 53.492 54.000 -0.185 0.000 0.831 73 D CB -0.361 40.341 40.800 -0.163 0.000 1.103 73 D HN 0.183 nan 8.370 nan 0.000 0.476 74 D N 0.732 120.989 120.400 -0.238 0.000 2.686 74 D HA -0.137 4.502 4.640 -0.001 0.000 0.235 74 D C 1.348 177.524 176.300 -0.208 0.000 1.160 74 D CA 1.608 55.489 54.000 -0.199 0.000 0.645 74 D CB -1.278 39.527 40.800 0.008 0.000 1.039 74 D HN 0.737 nan 8.370 nan 0.000 0.423 75 G N -1.467 106.964 108.800 -0.616 0.000 2.141 75 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.242 75 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.242 75 G C 1.187 175.985 174.900 -0.169 0.000 0.982 75 G CA 0.855 45.624 45.100 -0.551 0.000 0.662 75 G HN 0.911 nan 8.290 nan 0.000 0.527 76 A N -0.700 121.979 122.820 -0.236 0.000 1.872 76 A HA 0.495 4.814 4.320 -0.001 0.000 0.214 76 A C 1.641 179.142 177.584 -0.138 0.000 1.187 76 A CA 2.544 54.520 52.037 -0.101 0.000 0.614 76 A CB -0.182 18.766 19.000 -0.088 0.000 0.826 76 A HN 1.984 nan 8.150 nan 0.000 0.442 77 T N -5.461 108.894 114.554 -0.331 0.000 2.903 77 T HA 0.577 4.926 4.350 -0.001 0.000 0.299 77 T C -1.320 173.059 174.700 -0.535 0.000 1.093 77 T CA -0.720 61.223 62.100 -0.261 0.000 1.002 77 T CB 1.289 70.060 68.868 -0.161 0.000 1.127 77 T HN 0.361 nan 8.240 nan 0.000 0.488 78 W N 0.724 121.878 121.300 -0.244 0.000 3.032 78 W HA 0.646 5.305 4.660 -0.001 0.000 0.335 78 W C -0.547 175.743 176.519 -0.382 0.000 1.154 78 W CA -0.616 56.528 57.345 -0.336 0.000 1.204 78 W CB 1.909 31.153 29.460 -0.360 0.000 1.416 78 W HN 0.596 nan 8.180 nan 0.000 0.521 79 N N 0.818 119.294 118.700 -0.373 0.000 2.384 79 N HA 0.638 5.378 4.740 -0.001 0.000 0.301 79 N C -0.912 174.416 175.510 -0.303 0.000 1.133 79 N CA -0.537 52.256 53.050 -0.428 0.000 0.853 79 N CB 1.911 39.987 38.487 -0.686 0.000 1.241 79 N HN 0.179 nan 8.380 nan 0.000 0.502 80 T N 1.038 115.529 114.554 -0.105 0.000 2.863 80 T HA 0.577 4.926 4.350 -0.001 0.000 0.285 80 T C -0.486 174.285 174.700 0.120 0.000 1.009 80 T CA -0.656 61.441 62.100 -0.005 0.000 0.989 80 T CB 1.748 70.583 68.868 -0.055 0.000 1.004 80 T HN 0.312 nan 8.240 nan 0.000 0.455 81 Q N 1.126 121.031 119.800 0.175 0.000 2.462 81 Q HA 0.478 4.818 4.340 -0.001 0.000 0.285 81 Q C -1.320 174.755 176.000 0.125 0.000 1.035 81 Q CA -1.051 54.869 55.803 0.195 0.000 0.799 81 Q CB 2.198 31.129 28.738 0.321 0.000 1.452 81 Q HN 0.411 nan 8.270 nan 0.000 0.404 82 I N 1.838 122.463 120.570 0.091 0.000 2.301 82 I HA 0.196 4.365 4.170 -0.001 0.000 0.292 82 I C 0.819 176.838 176.117 -0.162 0.000 1.046 82 I CA 0.268 61.576 61.300 0.013 0.000 1.282 82 I CB 0.610 38.664 38.000 0.091 0.000 1.409 82 I HN 0.905 nan 8.210 nan 0.000 0.484 83 A N 7.855 130.417 122.820 -0.430 0.000 1.970 83 A HA 0.213 4.532 4.320 -0.001 0.000 0.216 83 A C 0.920 178.132 177.584 -0.621 0.000 1.170 83 A CA 0.977 52.368 52.037 -1.077 0.000 0.645 83 A CB 0.130 18.043 19.000 -1.811 0.000 0.816 83 A HN 0.625 nan 8.150 nan 0.000 0.447 84 I N -0.267 120.088 120.570 -0.359 0.000 2.512 84 I HA 0.286 4.455 4.170 -0.001 0.000 0.287 84 I C -1.071 174.972 176.117 -0.123 0.000 1.069 84 I CA -0.710 60.463 61.300 -0.211 0.000 1.056 84 I CB 2.207 40.080 38.000 -0.210 0.000 1.229 84 I HN -0.070 nan 8.210 nan 0.000 0.429 85 K N 3.981 124.331 120.400 -0.084 0.000 2.144 85 K HA 0.297 4.617 4.320 -0.001 0.000 0.270 85 K C -0.049 176.507 176.600 -0.073 0.000 1.005 85 K CA -0.527 55.729 56.287 -0.052 0.000 0.932 85 K CB 0.874 33.345 32.500 -0.048 0.000 1.021 85 K HN 0.640 nan 8.250 nan 0.000 0.462 86 N N -0.554 118.095 118.700 -0.085 0.000 2.347 86 N HA -0.021 4.718 4.740 -0.001 0.000 0.253 86 N C 0.604 176.083 175.510 -0.052 0.000 1.274 86 N CA -0.034 52.951 53.050 -0.109 0.000 0.941 86 N CB 0.676 39.035 38.487 -0.213 0.000 1.200 86 N HN 0.447 nan 8.380 nan 0.000 0.514 87 S N -1.094 114.583 115.700 -0.039 0.000 2.423 87 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 87 S C 0.392 175.016 174.600 0.040 0.000 1.014 87 S CA 0.131 58.324 58.200 -0.012 0.000 0.965 87 S CB -0.514 62.673 63.200 -0.021 0.000 0.785 87 S HN 0.612 nan 8.310 nan 0.000 0.495 88 R N -0.425 120.137 120.500 0.103 0.000 3.872 88 R HA -0.158 4.181 4.340 -0.001 0.000 0.341 88 R C 1.076 177.448 176.300 0.120 0.000 1.172 88 R CA 0.871 57.077 56.100 0.177 0.000 0.901 88 R CB -2.760 27.626 30.300 0.142 0.000 1.422 88 R HN 0.672 nan 8.270 nan 0.000 0.523 89 A N 0.355 123.230 122.820 0.092 0.000 2.067 89 A HA 0.062 4.381 4.320 -0.001 0.000 0.219 89 A C 1.096 178.725 177.584 0.074 0.000 1.158 89 A CA 1.645 53.721 52.037 0.065 0.000 0.661 89 A CB 0.091 19.119 19.000 0.046 0.000 0.801 89 A HN 0.786 nan 8.150 nan 0.000 0.452 90 S N -3.028 112.740 115.700 0.113 0.000 2.683 90 S HA 0.315 4.784 4.470 -0.001 0.000 0.269 90 S C 0.659 175.348 174.600 0.148 0.000 1.165 90 S CA 0.451 58.710 58.200 0.098 0.000 0.840 90 S CB 0.338 63.586 63.200 0.080 0.000 1.169 90 S HN 0.852 nan 8.310 nan 0.000 0.490 91 S N -0.100 115.651 115.700 0.084 0.000 2.515 91 S HA 0.006 4.476 4.470 -0.001 0.000 0.231 91 S C 1.318 176.032 174.600 0.191 0.000 0.987 91 S CA 0.901 59.130 58.200 0.048 0.000 0.936 91 S CB -0.849 62.343 63.200 -0.014 0.000 0.766 91 S HN 1.803 nan 8.310 nan 0.000 0.528 92 V N -1.995 118.046 119.914 0.212 0.000 3.159 92 V HA 0.463 4.583 4.120 -0.001 0.000 0.333 92 V C 0.101 176.295 176.094 0.167 0.000 1.424 92 V CA -0.716 61.703 62.300 0.197 0.000 1.125 92 V CB -0.367 31.533 31.823 0.130 0.000 1.075 92 V HN 0.239 nan 8.190 nan 0.000 0.482 93 S N 3.099 118.929 115.700 0.218 0.000 2.562 93 S HA 0.633 5.102 4.470 -0.001 0.000 0.281 93 S C 0.153 174.723 174.600 -0.051 0.000 1.333 93 S CA -0.228 58.033 58.200 0.102 0.000 1.052 93 S CB 0.366 63.639 63.200 0.121 0.000 0.884 93 S HN 0.938 nan 8.310 nan 0.000 0.506 94 R N -0.512 119.969 120.500 -0.031 0.000 2.629 94 R HA 0.620 4.959 4.340 -0.001 0.000 0.266 94 R C -1.772 174.509 176.300 -0.031 0.000 1.051 94 R CA -1.056 54.994 56.100 -0.083 0.000 0.895 94 R CB 0.710 30.982 30.300 -0.046 0.000 1.246 94 R HN 0.402 nan 8.270 nan 0.000 0.459 95 V N 0.341 120.198 119.914 -0.094 0.000 2.540 95 V HA 0.843 4.962 4.120 -0.001 0.000 0.302 95 V C -0.106 175.930 176.094 -0.096 0.000 1.035 95 V CA -0.813 61.431 62.300 -0.093 0.000 0.873 95 V CB 1.361 33.106 31.823 -0.129 0.000 0.992 95 V HN 0.986 nan 8.190 nan 0.000 0.428 96 M N 1.577 121.129 119.600 -0.080 0.000 2.603 96 M HA 0.733 5.212 4.480 -0.001 0.000 0.275 96 M C -1.102 175.136 176.300 -0.104 0.000 1.226 96 M CA -0.339 54.901 55.300 -0.099 0.000 0.870 96 M CB 2.305 34.844 32.600 -0.101 0.000 1.716 96 M HN 0.586 nan 8.290 nan 0.000 0.482 97 D N 0.364 120.704 120.400 -0.100 0.000 2.767 97 D HA -0.066 4.574 4.640 -0.001 0.000 0.239 97 D C -0.050 176.206 176.300 -0.073 0.000 1.103 97 D CA 1.473 55.428 54.000 -0.075 0.000 0.710 97 D CB -1.232 39.503 40.800 -0.109 0.000 1.084 97 D HN 1.083 nan 8.370 nan 0.000 0.435 98 A N 0.383 123.166 122.820 -0.062 0.000 2.580 98 A HA 0.332 4.651 4.320 -0.001 0.000 0.244 98 A C 0.807 178.400 177.584 0.015 0.000 1.045 98 A CA 0.851 52.865 52.037 -0.037 0.000 0.761 98 A CB 0.283 19.265 19.000 -0.030 0.000 0.962 98 A HN 0.178 nan 8.150 nan 0.000 0.512 99 T N 2.929 117.500 114.554 0.028 0.000 2.809 99 T HA 0.519 4.868 4.350 -0.001 0.000 0.284 99 T C -0.435 174.433 174.700 0.281 0.000 0.992 99 T CA -0.418 61.757 62.100 0.125 0.000 0.957 99 T CB 1.278 70.176 68.868 0.050 0.000 0.942 99 T HN 0.461 nan 8.240 nan 0.000 0.439 100 V N 4.806 124.898 119.914 0.296 0.000 2.495 100 V HA 0.568 4.687 4.120 -0.001 0.000 0.298 100 V C -0.334 175.925 176.094 0.276 0.000 1.031 100 V CA -0.841 61.640 62.300 0.303 0.000 0.871 100 V CB 1.610 33.565 31.823 0.220 0.000 0.988 100 V HN 0.811 nan 8.190 nan 0.000 0.432 101 I N 4.413 125.152 120.570 0.282 0.000 2.436 101 I HA 0.470 4.639 4.170 -0.001 0.000 0.289 101 I C -0.676 175.601 176.117 0.267 0.000 1.010 101 I CA -0.889 60.521 61.300 0.182 0.000 1.098 101 I CB 2.232 40.228 38.000 -0.007 0.000 1.266 101 I HN 0.261 nan 8.210 nan 0.000 0.434 102 V N 6.517 126.544 119.914 0.187 0.000 2.350 102 V HA 0.350 4.469 4.120 -0.001 0.000 0.276 102 V C -0.056 176.130 176.094 0.154 0.000 1.028 102 V CA -0.517 61.882 62.300 0.165 0.000 0.860 102 V CB 1.363 33.255 31.823 0.116 0.000 0.990 102 V HN 0.619 nan 8.190 nan 0.000 0.453 103 K N 3.997 124.515 120.400 0.198 0.000 2.579 103 K HA 0.606 4.925 4.320 -0.001 0.000 0.250 103 K C 0.594 177.256 176.600 0.104 0.000 0.952 103 K CA 0.413 56.791 56.287 0.152 0.000 0.857 103 K CB 1.348 33.954 32.500 0.176 0.000 1.123 103 K HN 0.914 nan 8.250 nan 0.000 0.433 104 G N 3.599 112.433 108.800 0.056 0.000 2.556 104 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.283 104 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.283 104 G C 0.165 175.065 174.900 -0.000 0.000 1.177 104 G CA 0.424 45.537 45.100 0.023 0.000 0.978 104 G HN 0.807 nan 8.290 nan 0.000 0.554 105 N N 1.358 120.040 118.700 -0.030 0.000 2.313 105 N HA 0.121 4.860 4.740 -0.001 0.000 0.207 105 N C 0.124 175.565 175.510 -0.115 0.000 1.141 105 N CA 0.550 53.558 53.050 -0.070 0.000 0.830 105 N CB 0.293 38.731 38.487 -0.082 0.000 1.008 105 N HN 0.650 nan 8.380 nan 0.000 0.481 106 K N 0.862 121.206 120.400 -0.093 0.000 2.221 106 K HA 0.394 4.714 4.320 -0.001 0.000 0.258 106 K C -0.716 175.782 176.600 -0.171 0.000 0.944 106 K CA -0.734 55.432 56.287 -0.201 0.000 0.823 106 K CB 2.281 34.629 32.500 -0.254 0.000 1.113 106 K HN 0.007 nan 8.250 nan 0.000 0.431 107 L N 2.822 123.901 121.223 -0.240 0.000 2.307 107 L HA 0.401 4.740 4.340 -0.001 0.000 0.284 107 L C -0.866 175.912 176.870 -0.153 0.000 1.023 107 L CA -0.720 54.083 54.840 -0.062 0.000 0.810 107 L CB 0.615 42.726 42.059 0.085 0.000 1.231 107 L HN 0.431 nan 8.230 nan 0.000 0.423 108 Y N 3.866 124.289 120.300 0.206 0.000 2.334 108 Y HA 0.587 5.137 4.550 -0.001 0.000 0.336 108 Y C -0.071 176.031 175.900 0.337 0.000 0.960 108 Y CA -0.510 57.757 58.100 0.278 0.000 1.164 108 Y CB 1.204 39.838 38.460 0.289 0.000 1.155 108 Y HN 0.335 nan 8.280 nan 0.000 0.478 109 I N 5.282 126.091 120.570 0.398 0.000 2.389 109 I HA 0.255 4.424 4.170 -0.001 0.000 0.288 109 I C -1.183 175.009 176.117 0.126 0.000 0.999 109 I CA -0.958 60.494 61.300 0.253 0.000 1.129 109 I CB 1.787 39.877 38.000 0.149 0.000 1.288 109 I HN 0.366 nan 8.210 nan 0.000 0.444 110 L N 9.380 130.594 121.223 -0.015 0.000 2.287 110 L HA 0.643 4.982 4.340 -0.001 0.000 0.287 110 L C -0.422 176.313 176.870 -0.224 0.000 1.022 110 L CA -0.335 54.348 54.840 -0.261 0.000 0.814 110 L CB 1.423 43.043 42.059 -0.731 0.000 1.217 110 L HN 0.413 nan 8.230 nan 0.000 0.420 111 V N 1.755 121.531 119.914 -0.231 0.000 3.001 111 V HA 0.954 5.074 4.120 -0.001 0.000 0.314 111 V C 0.300 176.222 176.094 -0.287 0.000 1.099 111 V CA -0.437 61.733 62.300 -0.217 0.000 0.989 111 V CB 1.353 33.073 31.823 -0.171 0.000 1.040 111 V HN 0.864 nan 8.190 nan 0.000 0.434 112 G N 0.799 109.458 108.800 -0.234 0.000 2.353 112 G HA2 0.502 4.461 3.960 -0.001 0.000 0.284 112 G HA3 0.502 4.461 3.960 -0.001 0.000 0.284 112 G C -0.301 174.426 174.900 -0.288 0.000 1.172 112 G CA -0.050 44.887 45.100 -0.273 0.000 0.854 112 G HN 1.109 nan 8.290 nan 0.000 0.485 113 S N 1.124 116.477 115.700 -0.578 0.000 2.473 113 S HA 0.812 5.281 4.470 -0.001 0.000 0.307 113 S C -1.086 173.147 174.600 -0.610 0.000 1.094 113 S CA -0.674 57.286 58.200 -0.400 0.000 1.070 113 S CB 0.416 63.407 63.200 -0.348 0.000 1.019 113 S HN 0.341 nan 8.310 nan 0.000 0.480 114 F N 3.092 123.011 119.950 -0.052 0.000 2.588 114 F HA 0.547 5.074 4.527 -0.001 0.000 0.314 114 F C 1.039 176.829 175.800 -0.016 0.000 1.069 114 F CA -0.925 57.080 58.000 0.009 0.000 0.931 114 F CB 1.882 40.920 39.000 0.063 0.000 1.260 114 F HN 0.459 nan 8.300 nan 0.000 0.465 115 N N 0.764 119.561 118.700 0.162 0.000 2.545 115 N HA 0.042 4.781 4.740 -0.001 0.000 0.190 115 N C 0.827 176.393 175.510 0.094 0.000 1.043 115 N CA 0.761 53.862 53.050 0.084 0.000 0.879 115 N CB 0.292 38.804 38.487 0.042 0.000 1.210 115 N HN 0.751 nan 8.380 nan 0.000 0.437 116 K N -0.833 119.621 120.400 0.091 0.000 2.612 116 K HA 0.111 4.430 4.320 -0.001 0.000 0.199 116 K C -0.504 176.123 176.600 0.044 0.000 1.520 116 K CA -0.200 56.127 56.287 0.067 0.000 1.039 116 K CB -0.212 32.316 32.500 0.046 0.000 1.286 116 K HN -0.083 nan 8.250 nan 0.000 0.622 117 T N 0.156 114.725 114.554 0.024 0.000 2.919 117 T HA 0.295 4.645 4.350 -0.001 0.000 0.302 117 T C 0.594 175.316 174.700 0.036 0.000 1.031 117 T CA -0.634 61.451 62.100 -0.025 0.000 1.127 117 T CB 1.688 70.430 68.868 -0.209 0.000 0.952 117 T HN 0.240 nan 8.240 nan 0.000 0.540 118 R N 1.080 121.621 120.500 0.069 0.000 2.397 118 R HA 0.172 4.512 4.340 -0.001 0.000 0.241 118 R C 0.695 177.096 176.300 0.168 0.000 0.914 118 R CA -0.362 55.819 56.100 0.134 0.000 1.071 118 R CB 0.163 30.541 30.300 0.129 0.000 1.116 118 R HN 0.785 nan 8.270 nan 0.000 0.524 119 N N -0.553 118.227 118.700 0.135 0.000 2.563 119 N HA 0.084 4.823 4.740 -0.001 0.000 0.288 119 N C -0.659 174.920 175.510 0.114 0.000 1.246 119 N CA -0.572 52.558 53.050 0.134 0.000 0.946 119 N CB 1.098 39.662 38.487 0.129 0.000 1.213 119 N HN -0.252 nan 8.380 nan 0.000 0.578 120 S N -0.046 115.654 115.700 -0.001 0.000 2.565 120 S HA 0.134 4.603 4.470 -0.001 0.000 0.274 120 S C 1.424 175.784 174.600 -0.400 0.000 1.309 120 S CA -0.888 57.231 58.200 -0.136 0.000 1.043 120 S CB -0.155 62.976 63.200 -0.113 0.000 0.939 120 S HN 0.652 nan 8.310 nan 0.000 0.504 121 W N 4.696 125.583 121.300 -0.688 0.000 2.321 121 W HA -0.179 4.480 4.660 -0.001 0.000 0.306 121 W C 1.501 177.627 176.519 -0.655 0.000 1.217 121 W CA 2.178 58.916 57.345 -1.012 0.000 1.257 121 W CB -2.171 26.996 29.460 -0.488 0.000 1.145 121 W HN 0.804 nan 8.180 nan 0.000 0.509 122 T N -0.988 112.898 114.554 -1.113 0.000 2.929 122 T HA -0.066 4.283 4.350 -0.001 0.000 0.271 122 T C 2.041 176.467 174.700 -0.457 0.000 1.085 122 T CA 2.562 64.114 62.100 -0.914 0.000 1.125 122 T CB -0.767 67.592 68.868 -0.848 0.000 0.874 122 T HN 0.416 nan 8.240 nan 0.000 0.494 123 Q N 0.067 119.653 119.800 -0.356 0.000 2.319 123 Q HA 0.255 4.594 4.340 -0.001 0.000 0.202 123 Q C 0.617 176.614 176.000 -0.005 0.000 0.896 123 Q CA -0.191 55.522 55.803 -0.150 0.000 0.942 123 Q CB -0.898 27.789 28.738 -0.086 0.000 1.083 123 Q HN 0.920 nan 8.270 nan 0.000 0.510 124 H N -0.665 118.386 119.070 -0.031 0.000 2.836 124 H HA 0.194 4.750 4.556 -0.001 0.000 0.368 124 H C 1.074 176.412 175.328 0.017 0.000 1.164 124 H CA -0.532 55.532 56.048 0.026 0.000 1.425 124 H CB 1.051 30.871 29.762 0.096 0.000 1.414 124 H HN 0.291 nan 8.280 nan 0.000 0.614 125 R N 0.419 121.016 120.500 0.163 0.000 2.119 125 R HA -0.066 4.273 4.340 -0.001 0.000 0.222 125 R C -0.203 176.155 176.300 0.096 0.000 1.088 125 R CA 1.404 57.559 56.100 0.092 0.000 0.984 125 R CB 0.098 30.438 30.300 0.067 0.000 0.884 125 R HN 0.744 nan 8.270 nan 0.000 0.447 126 D N -3.852 116.628 120.400 0.134 0.000 2.838 126 D HA 0.090 4.729 4.640 -0.001 0.000 0.334 126 D C 0.248 176.673 176.300 0.207 0.000 1.315 126 D CA -0.593 53.491 54.000 0.139 0.000 0.917 126 D CB 0.025 40.893 40.800 0.112 0.000 1.435 126 D HN -0.126 nan 8.370 nan 0.000 0.517 127 G N -1.176 107.765 108.800 0.235 0.000 3.233 127 G HA2 0.145 4.105 3.960 -0.001 0.000 0.227 127 G HA3 0.145 4.105 3.960 -0.001 0.000 0.227 127 G C 0.943 176.084 174.900 0.402 0.000 1.175 127 G CA 0.536 45.859 45.100 0.371 0.000 0.781 127 G HN 0.504 nan 8.290 nan 0.000 0.542 128 S N -0.324 115.519 115.700 0.238 0.000 2.453 128 S HA -0.087 4.383 4.470 -0.001 0.000 0.231 128 S C 1.551 176.224 174.600 0.122 0.000 1.005 128 S CA 1.213 59.505 58.200 0.153 0.000 0.949 128 S CB 0.029 63.286 63.200 0.096 0.000 0.774 128 S HN 0.183 nan 8.310 nan 0.000 0.510 129 D N 0.050 120.541 120.400 0.151 0.000 2.349 129 D HA 0.143 4.783 4.640 -0.001 0.000 0.224 129 D C -0.210 176.178 176.300 0.147 0.000 1.029 129 D CA 0.008 54.084 54.000 0.126 0.000 0.879 129 D CB 0.103 40.942 40.800 0.064 0.000 0.906 129 D HN 0.682 nan 8.370 nan 0.000 0.528 130 W N 0.847 122.083 121.300 -0.107 0.000 2.736 130 W HA 0.543 5.202 4.660 -0.001 0.000 0.335 130 W C -1.370 174.915 176.519 -0.389 0.000 1.059 130 W CA -0.690 56.408 57.345 -0.411 0.000 1.226 130 W CB 1.163 30.480 29.460 -0.237 0.000 1.416 130 W HN -0.332 nan 8.180 nan 0.000 0.505 131 E N 5.655 125.046 120.200 -1.348 0.000 2.290 131 E HA 0.246 4.595 4.350 -0.001 0.000 0.274 131 E C -2.587 173.159 176.600 -1.423 0.000 0.889 131 E CA -2.189 53.319 56.400 -1.485 0.000 0.760 131 E CB 3.015 32.263 29.700 -0.754 0.000 1.206 131 E HN 0.122 nan 8.360 nan 0.000 0.419 132 P HA 0.232 nan 4.420 nan 0.000 0.287 132 P C -0.770 176.181 177.300 -0.582 0.000 1.307 132 P CA -0.190 62.367 63.100 -0.905 0.000 0.777 132 P CB 0.432 31.467 31.700 -1.109 0.000 0.883 133 L N 4.369 125.330 121.223 -0.437 0.000 2.296 133 L HA 0.456 4.795 4.340 -0.001 0.000 0.286 133 L C 0.218 176.971 176.870 -0.196 0.000 1.023 133 L CA -1.167 53.505 54.840 -0.280 0.000 0.812 133 L CB 1.648 43.564 42.059 -0.239 0.000 1.223 133 L HN 0.224 nan 8.230 nan 0.000 0.421 134 L N 4.663 125.822 121.223 -0.106 0.000 2.282 134 L HA 0.606 4.945 4.340 -0.001 0.000 0.288 134 L C -0.583 176.337 176.870 0.083 0.000 1.033 134 L CA -0.138 54.711 54.840 0.016 0.000 0.807 134 L CB 1.695 43.811 42.059 0.096 0.000 1.209 134 L HN 0.275 nan 8.230 nan 0.000 0.423 135 V N 5.580 125.574 119.914 0.133 0.000 2.531 135 V HA 0.494 4.613 4.120 -0.001 0.000 0.301 135 V C -0.579 175.651 176.094 0.226 0.000 1.034 135 V CA -0.794 61.603 62.300 0.162 0.000 0.865 135 V CB 2.056 33.950 31.823 0.119 0.000 0.995 135 V HN 0.466 nan 8.190 nan 0.000 0.424 136 V N 3.502 123.511 119.914 0.159 0.000 2.394 136 V HA 0.756 4.875 4.120 -0.001 0.000 0.282 136 V C 0.776 176.860 176.094 -0.017 0.000 1.031 136 V CA -0.220 62.068 62.300 -0.020 0.000 0.881 136 V CB 1.525 33.270 31.823 -0.130 0.000 0.982 136 V HN 0.966 nan 8.190 nan 0.000 0.451 137 G N 3.008 111.684 108.800 -0.206 0.000 2.400 137 G HA2 0.638 4.597 3.960 -0.001 0.000 0.333 137 G HA3 0.638 4.597 3.960 -0.001 0.000 0.333 137 G C -0.948 173.604 174.900 -0.580 0.000 1.143 137 G CA -0.393 44.246 45.100 -0.769 0.000 0.914 137 G HN 0.720 nan 8.290 nan 0.000 0.480 138 E N 1.288 121.148 120.200 -0.567 0.000 2.199 138 E HA 0.457 4.806 4.350 -0.001 0.000 0.265 138 E C -1.075 175.286 176.600 -0.400 0.000 0.882 138 E CA -0.634 55.535 56.400 -0.385 0.000 0.759 138 E CB 2.041 31.582 29.700 -0.264 0.000 1.148 138 E HN 0.210 nan 8.360 nan 0.000 0.412 139 V N 3.989 123.713 119.914 -0.316 0.000 2.407 139 V HA 0.309 4.428 4.120 -0.001 0.000 0.278 139 V C -0.091 175.884 176.094 -0.198 0.000 1.037 139 V CA -0.280 61.848 62.300 -0.285 0.000 0.900 139 V CB 1.499 33.182 31.823 -0.233 0.000 0.983 139 V HN 0.728 nan 8.190 nan 0.000 0.459 140 T N 6.136 120.577 114.554 -0.188 0.000 2.815 140 T HA 0.420 4.770 4.350 -0.001 0.000 0.289 140 T C -0.209 174.434 174.700 -0.094 0.000 1.000 140 T CA -0.664 61.361 62.100 -0.125 0.000 0.958 140 T CB 0.945 69.745 68.868 -0.114 0.000 0.944 140 T HN 0.569 nan 8.240 nan 0.000 0.442 141 K N 1.894 122.252 120.400 -0.070 0.000 2.106 141 K HA 0.816 5.135 4.320 -0.001 0.000 0.246 141 K C -0.332 176.246 176.600 -0.037 0.000 0.987 141 K CA -0.834 55.424 56.287 -0.048 0.000 0.904 141 K CB 1.446 33.921 32.500 -0.042 0.000 1.071 141 K HN 0.747 nan 8.250 nan 0.000 0.453 142 S N -1.041 114.643 115.700 -0.027 0.000 2.606 142 S HA 0.495 4.964 4.470 -0.001 0.000 0.290 142 S C -1.665 172.924 174.600 -0.017 0.000 1.103 142 S CA -1.200 56.987 58.200 -0.022 0.000 0.870 142 S CB 1.144 64.331 63.200 -0.021 0.000 1.077 142 S HN 0.653 nan 8.310 nan 0.000 0.448 143 A N 1.565 124.375 122.820 -0.017 0.000 2.287 143 A HA 0.922 5.242 4.320 -0.001 0.000 0.317 143 A C 0.146 177.722 177.584 -0.013 0.000 1.220 143 A CA -0.342 51.686 52.037 -0.015 0.000 0.835 143 A CB 0.709 19.700 19.000 -0.016 0.000 1.180 143 A HN 1.971 nan 8.150 nan 0.000 0.500 144 A N 2.273 125.086 122.820 -0.011 0.000 2.318 144 A HA 0.697 5.017 4.320 -0.001 0.000 0.317 144 A C 0.774 178.352 177.584 -0.010 0.000 1.159 144 A CA 0.317 52.348 52.037 -0.010 0.000 0.799 144 A CB -0.177 18.818 19.000 -0.008 0.000 1.194 144 A HN 2.640 nan 8.150 nan 0.000 0.479 145 N N 0.657 119.351 118.700 -0.009 0.000 2.816 145 N HA 0.247 4.986 4.740 -0.001 0.000 0.247 145 N C 2.049 177.553 175.510 -0.010 0.000 1.100 145 N CA 1.712 54.757 53.050 -0.009 0.000 0.687 145 N CB -1.731 36.751 38.487 -0.008 0.000 1.003 145 N HN 2.864 nan 8.380 nan 0.000 0.554 146 G N -1.907 106.886 108.800 -0.011 0.000 4.655 146 G HA2 0.180 4.139 3.960 -0.001 0.000 0.220 146 G HA3 0.180 4.139 3.960 -0.001 0.000 0.220 146 G C 1.210 176.101 174.900 -0.015 0.000 1.403 146 G CA 2.368 47.461 45.100 -0.012 0.000 0.931 146 G HN 2.484 nan 8.290 nan 0.000 0.654 147 K N 1.227 121.617 120.400 -0.016 0.000 2.548 147 K HA 0.432 4.751 4.320 -0.001 0.000 0.277 147 K C 0.515 177.104 176.600 -0.019 0.000 1.001 147 K CA 1.615 57.891 56.287 -0.019 0.000 1.102 147 K CB -0.537 31.952 32.500 -0.019 0.000 0.848 147 K HN 1.147 nan 8.250 nan 0.000 0.487 148 T N 2.496 117.036 114.554 -0.024 0.000 2.875 148 T HA 0.606 4.955 4.350 -0.001 0.000 0.284 148 T C 0.408 175.096 174.700 -0.020 0.000 0.995 148 T CA 0.113 62.199 62.100 -0.023 0.000 1.060 148 T CB 1.084 69.936 68.868 -0.027 0.000 0.967 148 T HN 0.848 nan 8.240 nan 0.000 0.476 149 T N -0.204 114.344 114.554 -0.011 0.000 2.907 149 T HA 0.907 5.256 4.350 -0.001 0.000 0.290 149 T C -0.759 173.951 174.700 0.017 0.000 1.066 149 T CA -1.072 61.032 62.100 0.006 0.000 1.012 149 T CB 1.964 70.837 68.868 0.009 0.000 1.184 149 T HN 0.804 nan 8.240 nan 0.000 0.522 150 A N 0.804 123.662 122.820 0.063 0.000 2.606 150 A HA 0.914 5.233 4.320 -0.001 0.000 0.293 150 A C -0.339 177.278 177.584 0.056 0.000 1.082 150 A CA -0.836 51.220 52.037 0.031 0.000 0.685 150 A CB 1.380 20.383 19.000 0.004 0.000 1.284 150 A HN 1.386 nan 8.150 nan 0.000 0.408 151 T N -1.238 113.260 114.554 -0.094 0.000 2.906 151 T HA 0.813 5.162 4.350 -0.001 0.000 0.295 151 T C -0.706 173.760 174.700 -0.390 0.000 1.075 151 T CA -0.537 61.470 62.100 -0.155 0.000 1.005 151 T CB 1.220 70.046 68.868 -0.069 0.000 1.136 151 T HN 0.702 nan 8.240 nan 0.000 0.498 152 I N 1.871 122.153 120.570 -0.480 0.000 2.499 152 I HA 0.506 4.675 4.170 -0.001 0.000 0.288 152 I C -0.122 175.670 176.117 -0.542 0.000 1.048 152 I CA -0.974 59.964 61.300 -0.603 0.000 1.062 152 I CB 2.366 39.897 38.000 -0.781 0.000 1.238 152 I HN 0.886 nan 8.210 nan 0.000 0.426 153 S N 4.386 119.748 115.700 -0.564 0.000 2.472 153 S HA 0.628 5.098 4.470 -0.001 0.000 0.303 153 S C -1.537 172.720 174.600 -0.571 0.000 1.099 153 S CA -0.553 57.416 58.200 -0.385 0.000 1.077 153 S CB 0.897 63.975 63.200 -0.203 0.000 1.031 153 S HN 0.515 nan 8.310 nan 0.000 0.487 154 W N 1.876 123.152 121.300 -0.040 0.000 2.475 154 W HA 0.626 5.285 4.660 -0.001 0.000 0.317 154 W C 0.842 177.345 176.519 -0.027 0.000 1.046 154 W CA -0.667 56.657 57.345 -0.034 0.000 1.215 154 W CB 1.577 31.028 29.460 -0.015 0.000 1.335 154 W HN 1.068 nan 8.180 nan 0.000 0.471 155 G N 2.460 111.367 108.800 0.178 0.000 2.616 155 G HA2 0.213 4.172 3.960 -0.001 0.000 0.268 155 G HA3 0.213 4.172 3.960 -0.001 0.000 0.268 155 G C -0.289 174.682 174.900 0.118 0.000 1.213 155 G CA -0.775 44.390 45.100 0.109 0.000 0.926 155 G HN 0.212 nan 8.290 nan 0.000 0.523 156 K N 0.987 121.430 120.400 0.071 0.000 2.451 156 K HA 0.144 4.463 4.320 -0.001 0.000 0.280 156 K C -2.019 174.608 176.600 0.044 0.000 1.020 156 K CA -0.930 55.385 56.287 0.046 0.000 1.008 156 K CB 1.010 33.528 32.500 0.030 0.000 0.917 156 K HN 0.182 nan 8.250 nan 0.000 0.478 157 P HA 0.105 nan 4.420 nan 0.000 0.271 157 P C -0.757 176.538 177.300 -0.009 0.000 1.216 157 P CA -0.404 62.695 63.100 -0.001 0.000 0.776 157 P CB 0.628 32.299 31.700 -0.048 0.000 0.881 158 V N 2.289 122.204 119.914 0.001 0.000 2.357 158 V HA 0.216 4.336 4.120 -0.001 0.000 0.284 158 V C 0.581 176.641 176.094 -0.057 0.000 1.018 158 V CA -0.556 61.745 62.300 0.001 0.000 0.841 158 V CB 1.343 33.207 31.823 0.068 0.000 0.991 158 V HN 0.613 nan 8.190 nan 0.000 0.437 159 S N 5.006 120.647 115.700 -0.100 0.000 2.525 159 S HA 0.231 4.700 4.470 -0.001 0.000 0.285 159 S C 0.733 175.273 174.600 -0.100 0.000 1.283 159 S CA -0.361 57.735 58.200 -0.174 0.000 1.072 159 S CB 0.098 63.173 63.200 -0.208 0.000 0.867 159 S HN 0.596 nan 8.310 nan 0.000 0.492 160 L N 5.224 126.374 121.223 -0.122 0.000 2.653 160 L HA 0.228 4.567 4.340 -0.001 0.000 0.232 160 L C 2.139 179.065 176.870 0.094 0.000 1.169 160 L CA -0.129 54.731 54.840 0.032 0.000 0.951 160 L CB -0.392 41.709 42.059 0.071 0.000 1.181 160 L HN 0.689 nan 8.230 nan 0.000 0.460 161 K N 1.728 122.076 120.400 -0.087 0.000 2.032 161 K HA -0.141 4.178 4.320 -0.001 0.000 0.209 161 K C -0.476 176.232 176.600 0.180 0.000 1.048 161 K CA 1.481 57.749 56.287 -0.033 0.000 0.927 161 K CB -0.587 31.761 32.500 -0.253 0.000 0.712 161 K HN 0.201 nan 8.250 nan 0.000 0.441 162 P HA -0.140 nan 4.420 nan 0.000 0.221 162 P C 0.757 178.176 177.300 0.197 0.000 1.145 162 P CA 1.122 64.305 63.100 0.139 0.000 0.795 162 P CB -0.046 31.709 31.700 0.093 0.000 0.775 163 L N -3.192 118.195 121.223 0.272 0.000 2.610 163 L HA 0.071 4.410 4.340 -0.001 0.000 0.232 163 L C 0.873 177.998 176.870 0.425 0.000 1.149 163 L CA -0.099 54.948 54.840 0.344 0.000 0.872 163 L CB -0.644 41.664 42.059 0.415 0.000 0.992 163 L HN -0.069 nan 8.230 nan 0.000 0.447 164 F N 3.342 123.409 119.950 0.195 0.000 2.390 164 F HA 0.455 4.981 4.527 -0.001 0.000 0.361 164 F C -2.042 173.686 175.800 -0.121 0.000 1.124 164 F CA -3.698 54.332 58.000 0.050 0.000 1.149 164 F CB 0.347 39.560 39.000 0.355 0.000 1.160 164 F HN -0.198 nan 8.300 nan 0.000 0.501 165 P HA 0.154 nan 4.420 nan 0.000 0.269 165 P C -0.082 176.671 177.300 -0.913 0.000 1.209 165 P CA 0.019 62.699 63.100 -0.701 0.000 0.776 165 P CB 0.852 32.033 31.700 -0.865 0.000 0.876 166 A N 1.580 124.082 122.820 -0.530 0.000 2.168 166 A HA -0.036 4.283 4.320 -0.001 0.000 0.215 166 A C 0.758 178.069 177.584 -0.454 0.000 1.152 166 A CA 1.081 52.869 52.037 -0.415 0.000 0.716 166 A CB -0.555 18.319 19.000 -0.209 0.000 0.794 166 A HN 0.635 nan 8.150 nan 0.000 0.465 167 E N -1.162 118.675 120.200 -0.605 0.000 2.363 167 E HA 0.491 4.841 4.350 -0.001 0.000 0.281 167 E C -2.023 174.217 176.600 -0.600 0.000 0.953 167 E CA -0.704 55.435 56.400 -0.435 0.000 0.778 167 E CB 0.425 29.989 29.700 -0.226 0.000 1.220 167 E HN 0.078 nan 8.360 nan 0.000 0.431 168 F N 1.786 121.684 119.950 -0.087 0.000 2.536 168 F HA 0.252 4.778 4.527 -0.001 0.000 0.322 168 F C -0.013 175.742 175.800 -0.075 0.000 1.144 168 F CA -0.884 57.074 58.000 -0.069 0.000 0.924 168 F CB 1.470 40.464 39.000 -0.011 0.000 1.181 168 F HN 0.408 nan 8.300 nan 0.000 0.438 169 D N 2.876 123.333 120.400 0.095 0.000 2.702 169 D HA -0.214 4.425 4.640 -0.001 0.000 0.233 169 D C 1.310 177.613 176.300 0.005 0.000 1.164 169 D CA 1.818 55.833 54.000 0.024 0.000 0.638 169 D CB -0.913 39.880 40.800 -0.012 0.000 1.041 169 D HN 1.084 nan 8.370 nan 0.000 0.422 170 G N -1.313 107.484 108.800 -0.005 0.000 2.284 170 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.247 170 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.247 170 G C 0.367 175.262 174.900 -0.008 0.000 1.012 170 G CA 0.177 45.268 45.100 -0.015 0.000 0.618 170 G HN 0.437 nan 8.290 nan 0.000 0.521 171 I N 2.157 122.738 120.570 0.018 0.000 2.598 171 I HA 0.313 4.483 4.170 -0.001 0.000 0.284 171 I C 0.937 177.072 176.117 0.029 0.000 1.140 171 I CA -0.701 60.630 61.300 0.053 0.000 1.420 171 I CB 0.367 38.428 38.000 0.101 0.000 1.387 171 I HN 0.117 nan 8.210 nan 0.000 0.553 172 L N 6.522 127.756 121.223 0.018 0.000 2.276 172 L HA 0.324 4.663 4.340 -0.001 0.000 0.286 172 L C 0.956 177.831 176.870 0.009 0.000 1.061 172 L CA -0.403 54.420 54.840 -0.027 0.000 0.807 172 L CB 0.766 42.812 42.059 -0.022 0.000 1.177 172 L HN 0.701 nan 8.230 nan 0.000 0.429 173 T N -1.071 113.434 114.554 -0.081 0.000 2.913 173 T HA 0.346 4.695 4.350 -0.001 0.000 0.287 173 T C 0.466 175.219 174.700 0.088 0.000 1.008 173 T CA -0.565 61.523 62.100 -0.021 0.000 1.067 173 T CB 2.237 70.834 68.868 -0.452 0.000 0.996 173 T HN 0.735 nan 8.240 nan 0.000 0.513 174 K N 0.375 120.890 120.400 0.192 0.000 2.410 174 K HA 0.297 4.616 4.320 -0.001 0.000 0.204 174 K C 0.114 176.709 176.600 -0.008 0.000 1.268 174 K CA -0.047 56.314 56.287 0.123 0.000 0.896 174 K CB 0.804 33.331 32.500 0.044 0.000 1.401 174 K HN 0.837 nan 8.250 nan 0.000 0.479 175 E N -0.790 119.292 120.200 -0.196 0.000 2.423 175 E HA 0.287 4.636 4.350 -0.001 0.000 0.280 175 E C -1.695 174.605 176.600 -0.501 0.000 1.030 175 E CA -0.866 54.849 56.400 -1.143 0.000 0.812 175 E CB 2.122 31.261 29.700 -0.934 0.000 1.313 175 E HN 0.128 nan 8.360 nan 0.000 0.456 176 F N 0.427 119.842 119.950 -0.892 0.000 2.631 176 F HA 0.766 5.292 4.527 -0.001 0.000 0.308 176 F C -1.427 174.251 175.800 -0.202 0.000 1.097 176 F CA -0.900 56.928 58.000 -0.286 0.000 0.952 176 F CB 1.137 40.000 39.000 -0.229 0.000 1.307 176 F HN 0.415 nan 8.300 nan 0.000 0.450 177 I N -0.096 120.361 120.570 -0.189 0.000 3.174 177 I HA 0.879 5.048 4.170 -0.001 0.000 0.313 177 I C 0.212 176.298 176.117 -0.052 0.000 1.155 177 I CA -1.503 59.611 61.300 -0.311 0.000 0.977 177 I CB 1.634 39.316 38.000 -0.530 0.000 1.248 177 I HN 0.957 nan 8.210 nan 0.000 0.453 178 G N 0.261 108.976 108.800 -0.142 0.000 2.636 178 G HA2 0.344 4.303 3.960 -0.001 0.000 0.246 178 G HA3 0.344 4.303 3.960 -0.001 0.000 0.246 178 G C 0.875 175.768 174.900 -0.010 0.000 1.216 178 G CA -0.042 45.007 45.100 -0.085 0.000 0.854 178 G HN 1.049 nan 8.290 nan 0.000 0.572 179 G N -1.795 107.045 108.800 0.067 0.000 2.679 179 G HA2 0.293 4.252 3.960 -0.001 0.000 0.212 179 G HA3 0.293 4.252 3.960 -0.001 0.000 0.212 179 G C 0.354 175.283 174.900 0.049 0.000 1.137 179 G CA 0.848 45.997 45.100 0.082 0.000 0.787 179 G HN 1.530 nan 8.290 nan 0.000 0.534 180 V N -1.570 118.369 119.914 0.042 0.000 3.313 180 V HA 0.271 4.390 4.120 -0.001 0.000 0.477 180 V C 0.715 176.845 176.094 0.061 0.000 0.682 180 V CA 0.285 62.607 62.300 0.037 0.000 2.019 180 V CB -1.211 30.623 31.823 0.019 0.000 2.473 180 V HN 2.108 nan 8.190 nan 0.000 0.500 181 G N 2.365 111.213 108.800 0.080 0.000 2.587 181 G HA2 0.413 4.372 3.960 -0.001 0.000 0.212 181 G HA3 0.413 4.372 3.960 -0.001 0.000 0.212 181 G C 0.007 174.990 174.900 0.138 0.000 1.327 181 G CA 0.009 45.167 45.100 0.097 0.000 0.898 181 G HN 2.598 nan 8.290 nan 0.000 0.551 182 A N -0.050 122.854 122.820 0.141 0.000 2.347 182 A HA 0.889 5.208 4.320 -0.001 0.000 0.287 182 A C 0.877 178.556 177.584 0.158 0.000 1.199 182 A CA 1.401 53.531 52.037 0.154 0.000 0.851 182 A CB 0.140 19.226 19.000 0.143 0.000 1.118 182 A HN 2.465 nan 8.150 nan 0.000 0.525 183 A N 2.717 125.640 122.820 0.172 0.000 2.717 183 A HA 0.896 5.215 4.320 -0.001 0.000 0.262 183 A C 0.162 177.794 177.584 0.080 0.000 1.483 183 A CA -0.114 52.010 52.037 0.144 0.000 0.889 183 A CB 0.251 19.365 19.000 0.191 0.000 1.604 183 A HN 1.576 nan 8.150 nan 0.000 0.523 184 I N -3.347 117.241 120.570 0.029 0.000 2.969 184 I HA 0.702 4.871 4.170 -0.001 0.000 0.307 184 I C -1.251 174.852 176.117 -0.023 0.000 1.149 184 I CA -1.096 60.215 61.300 0.019 0.000 1.008 184 I CB 2.108 40.126 38.000 0.030 0.000 1.232 184 I HN 0.224 nan 8.210 nan 0.000 0.435 185 V N 4.201 124.111 119.914 -0.008 0.000 2.364 185 V HA 0.603 4.723 4.120 -0.001 0.000 0.272 185 V C 0.993 177.078 176.094 -0.016 0.000 1.036 185 V CA -0.141 62.144 62.300 -0.024 0.000 0.880 185 V CB 0.805 32.623 31.823 -0.008 0.000 0.991 185 V HN 0.958 nan 8.190 nan 0.000 0.460 186 A N 4.297 127.101 122.820 -0.026 0.000 2.325 186 A HA 0.353 4.672 4.320 -0.001 0.000 0.260 186 A C 1.667 179.236 177.584 -0.025 0.000 1.133 186 A CA 0.432 52.454 52.037 -0.025 0.000 0.801 186 A CB 0.133 19.109 19.000 -0.041 0.000 1.092 186 A HN 1.121 nan 8.150 nan 0.000 0.504 187 S N 0.133 115.817 115.700 -0.027 0.000 2.423 187 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 187 S C 1.118 175.701 174.600 -0.028 0.000 1.014 187 S CA 1.181 59.365 58.200 -0.026 0.000 0.965 187 S CB -0.595 62.586 63.200 -0.032 0.000 0.785 187 S HN 0.920 nan 8.310 nan 0.000 0.495 188 N N 1.643 120.323 118.700 -0.033 0.000 2.501 188 N HA 0.181 4.921 4.740 -0.001 0.000 0.195 188 N C 1.254 176.746 175.510 -0.031 0.000 1.213 188 N CA 0.761 53.792 53.050 -0.031 0.000 0.864 188 N CB -0.732 37.734 38.487 -0.035 0.000 0.999 188 N HN 0.632 nan 8.380 nan 0.000 0.454 189 G N -0.355 108.426 108.800 -0.032 0.000 2.205 189 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.261 189 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.261 189 G C -0.198 174.667 174.900 -0.057 0.000 0.980 189 G CA 0.076 45.153 45.100 -0.038 0.000 0.632 189 G HN 0.521 nan 8.290 nan 0.000 0.533 190 N N 0.976 119.646 118.700 -0.049 0.000 2.412 190 N HA 0.277 5.016 4.740 -0.001 0.000 0.258 190 N C 0.945 176.409 175.510 -0.078 0.000 1.236 190 N CA 0.210 53.232 53.050 -0.047 0.000 0.882 190 N CB 0.319 38.809 38.487 0.005 0.000 1.066 190 N HN 0.431 nan 8.380 nan 0.000 0.465 191 L N 2.031 123.159 121.223 -0.158 0.000 2.477 191 L HA 0.118 4.457 4.340 -0.001 0.000 0.272 191 L C -0.135 176.723 176.870 -0.021 0.000 1.157 191 L CA -0.220 54.509 54.840 -0.185 0.000 0.889 191 L CB 0.020 41.869 42.059 -0.351 0.000 1.158 191 L HN 0.111 nan 8.230 nan 0.000 0.473 192 V N 4.697 124.588 119.914 -0.038 0.000 2.376 192 V HA 0.312 4.431 4.120 -0.001 0.000 0.287 192 V C -0.564 175.552 176.094 0.037 0.000 1.015 192 V CA -0.549 61.797 62.300 0.077 0.000 0.834 192 V CB 1.145 32.998 31.823 0.051 0.000 1.001 192 V HN 0.426 nan 8.190 nan 0.000 0.428 193 Y N 6.494 126.917 120.300 0.206 0.000 2.335 193 Y HA 0.441 4.990 4.550 -0.001 0.000 0.339 193 Y C -2.018 173.956 175.900 0.122 0.000 0.987 193 Y CA -2.668 55.507 58.100 0.125 0.000 1.140 193 Y CB 2.367 40.847 38.460 0.032 0.000 1.173 193 Y HN 0.440 nan 8.280 nan 0.000 0.486 194 P HA 0.110 nan 4.420 nan 0.000 0.281 194 P C -0.950 176.486 177.300 0.227 0.000 1.252 194 P CA -0.091 63.159 63.100 0.250 0.000 0.778 194 P CB 1.397 33.227 31.700 0.216 0.000 0.895 195 V N 1.267 121.308 119.914 0.212 0.000 2.815 195 V HA 0.642 4.761 4.120 -0.001 0.000 0.314 195 V C -0.302 175.895 176.094 0.171 0.000 1.064 195 V CA -1.096 61.318 62.300 0.190 0.000 0.952 195 V CB 1.673 33.612 31.823 0.195 0.000 1.020 195 V HN 0.598 nan 8.190 nan 0.000 0.439 196 Q N 2.460 122.370 119.800 0.183 0.000 2.293 196 Q HA 0.814 5.153 4.340 -0.001 0.000 0.261 196 Q C -1.369 174.785 176.000 0.256 0.000 0.960 196 Q CA -0.687 55.231 55.803 0.192 0.000 0.882 196 Q CB 2.346 31.237 28.738 0.256 0.000 1.275 196 Q HN 0.772 nan 8.270 nan 0.000 0.445 197 I N 1.650 122.239 120.570 0.032 0.000 2.545 197 I HA 0.621 4.791 4.170 -0.001 0.000 0.292 197 I C -0.868 175.152 176.117 -0.162 0.000 1.040 197 I CA -1.025 60.237 61.300 -0.063 0.000 1.068 197 I CB 2.284 40.006 38.000 -0.464 0.000 1.251 197 I HN 0.836 nan 8.210 nan 0.000 0.424 198 A N 4.339 127.151 122.820 -0.014 0.000 2.303 198 A HA 0.630 4.950 4.320 -0.001 0.000 0.320 198 A C -0.771 176.854 177.584 0.068 0.000 1.192 198 A CA -0.623 51.338 52.037 -0.125 0.000 0.821 198 A CB 0.598 19.328 19.000 -0.450 0.000 1.188 198 A HN 0.744 nan 8.150 nan 0.000 0.492 199 D N 2.180 122.681 120.400 0.168 0.000 2.423 199 D HA 0.205 4.844 4.640 -0.001 0.000 0.255 199 D C 1.149 177.482 176.300 0.056 0.000 1.174 199 D CA -0.646 53.468 54.000 0.190 0.000 1.008 199 D CB 0.350 41.330 40.800 0.299 0.000 1.101 199 D HN 0.241 nan 8.370 nan 0.000 0.516 200 M N 0.493 120.120 119.600 0.046 0.000 2.108 200 M HA -0.032 4.447 4.480 -0.001 0.000 0.261 200 M C 2.142 178.434 176.300 -0.013 0.000 1.066 200 M CA 1.826 57.136 55.300 0.016 0.000 1.107 200 M CB -1.650 30.959 32.600 0.015 0.000 1.356 200 M HN 0.760 nan 8.290 nan 0.000 0.406 201 G N -0.940 107.844 108.800 -0.027 0.000 2.501 201 G HA2 0.011 3.971 3.960 -0.001 0.000 0.220 201 G HA3 0.011 3.971 3.960 -0.001 0.000 0.220 201 G C 1.238 176.091 174.900 -0.077 0.000 1.114 201 G CA 1.293 46.358 45.100 -0.058 0.000 0.757 201 G HN 0.730 nan 8.290 nan 0.000 0.559 202 G N -0.916 107.834 108.800 -0.084 0.000 2.175 202 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.244 202 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.244 202 G C 0.567 175.393 174.900 -0.123 0.000 0.982 202 G CA 0.191 45.204 45.100 -0.144 0.000 0.641 202 G HN 0.682 nan 8.290 nan 0.000 0.527 203 R N -0.417 120.046 120.500 -0.062 0.000 2.679 203 R HA 0.440 4.779 4.340 -0.001 0.000 0.268 203 R C -0.107 176.297 176.300 0.173 0.000 1.044 203 R CA 0.291 56.399 56.100 0.014 0.000 1.105 203 R CB 1.365 31.570 30.300 -0.157 0.000 0.989 203 R HN 0.231 nan 8.270 nan 0.000 0.447 204 V N 5.134 125.197 119.914 0.248 0.000 2.540 204 V HA 0.647 4.766 4.120 -0.001 0.000 0.302 204 V C -1.120 175.221 176.094 0.411 0.000 1.035 204 V CA -0.477 61.952 62.300 0.215 0.000 0.873 204 V CB 1.068 32.909 31.823 0.030 0.000 0.992 204 V HN 0.683 nan 8.190 nan 0.000 0.428 205 F N 2.738 122.764 119.950 0.126 0.000 2.664 205 F HA 0.932 5.458 4.527 -0.001 0.000 0.317 205 F C -0.312 175.497 175.800 0.014 0.000 1.108 205 F CA -0.538 57.458 58.000 -0.006 0.000 0.957 205 F CB 1.870 40.733 39.000 -0.228 0.000 1.365 205 F HN 0.523 nan 8.300 nan 0.000 0.475 206 T N -1.088 113.504 114.554 0.062 0.000 2.924 206 T HA 0.800 5.149 4.350 -0.001 0.000 0.291 206 T C -1.108 173.557 174.700 -0.058 0.000 1.045 206 T CA -0.825 61.300 62.100 0.042 0.000 1.015 206 T CB 2.379 71.389 68.868 0.237 0.000 1.103 206 T HN 0.878 nan 8.240 nan 0.000 0.496 207 K N 0.565 121.033 120.400 0.113 0.000 2.533 207 K HA 0.541 4.860 4.320 -0.001 0.000 0.284 207 K C -1.264 175.575 176.600 0.398 0.000 1.025 207 K CA -1.075 55.311 56.287 0.164 0.000 0.900 207 K CB 1.829 34.317 32.500 -0.022 0.000 1.519 207 K HN 0.430 nan 8.250 nan 0.000 0.432 208 I N 1.967 122.801 120.570 0.441 0.000 2.377 208 I HA 0.371 4.540 4.170 -0.001 0.000 0.293 208 I C -0.346 175.922 176.117 0.252 0.000 0.987 208 I CA -0.406 61.102 61.300 0.346 0.000 1.185 208 I CB 1.322 39.516 38.000 0.323 0.000 1.341 208 I HN 0.604 nan 8.210 nan 0.000 0.455 209 M N 8.787 128.481 119.600 0.157 0.000 2.134 209 M HA 0.419 4.898 4.480 -0.001 0.000 0.310 209 M C -1.783 174.720 176.300 0.338 0.000 0.966 209 M CA -0.594 54.666 55.300 -0.066 0.000 0.922 209 M CB 1.441 33.731 32.600 -0.517 0.000 1.537 209 M HN 0.514 nan 8.290 nan 0.000 0.424 210 Y N 1.503 121.938 120.300 0.225 0.000 2.576 210 Y HA 0.826 5.376 4.550 -0.001 0.000 0.346 210 Y C -1.348 174.560 175.900 0.015 0.000 1.018 210 Y CA -1.250 56.979 58.100 0.215 0.000 1.050 210 Y CB 1.568 40.069 38.460 0.067 0.000 1.280 210 Y HN 0.532 nan 8.280 nan 0.000 0.474 211 S N 0.783 116.277 115.700 -0.343 0.000 2.532 211 S HA 0.351 4.820 4.470 -0.001 0.000 0.299 211 S C -0.309 174.085 174.600 -0.344 0.000 1.105 211 S CA -0.675 57.077 58.200 -0.748 0.000 1.018 211 S CB 1.070 63.301 63.200 -1.615 0.000 1.021 211 S HN 0.850 nan 8.310 nan 0.000 0.483 212 E N 1.828 121.883 120.200 -0.242 0.000 2.479 212 E HA 0.054 4.403 4.350 -0.001 0.000 0.193 212 E C -0.445 176.062 176.600 -0.155 0.000 1.049 212 E CA 0.201 56.531 56.400 -0.117 0.000 0.870 212 E CB 0.193 29.874 29.700 -0.031 0.000 0.944 212 E HN 0.678 nan 8.360 nan 0.000 0.492 213 D N -0.628 119.627 120.400 -0.242 0.000 2.940 213 D HA 0.028 4.667 4.640 -0.001 0.000 0.366 213 D C -0.596 175.584 176.300 -0.201 0.000 1.446 213 D CA -0.474 53.415 54.000 -0.184 0.000 0.780 213 D CB -0.184 40.523 40.800 -0.154 0.000 1.206 213 D HN -0.220 nan 8.370 nan 0.000 0.454 214 D N 0.522 120.781 120.400 -0.234 0.000 2.811 214 D HA -0.150 4.490 4.640 -0.001 0.000 0.231 214 D C 1.252 177.429 176.300 -0.205 0.000 1.157 214 D CA 1.823 55.703 54.000 -0.201 0.000 0.716 214 D CB -1.335 39.448 40.800 -0.027 0.000 1.077 214 D HN 0.836 nan 8.370 nan 0.000 0.428 215 G N -0.418 108.129 108.800 -0.421 0.000 2.159 215 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.227 215 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.227 215 G C 0.855 175.677 174.900 -0.129 0.000 0.986 215 G CA 0.564 45.453 45.100 -0.352 0.000 0.651 215 G HN 0.452 nan 8.290 nan 0.000 0.523 216 N N 0.646 119.245 118.700 -0.170 0.000 2.135 216 N HA 0.059 4.799 4.740 -0.001 0.000 0.186 216 N C 1.454 176.918 175.510 -0.076 0.000 1.027 216 N CA 2.317 55.334 53.050 -0.055 0.000 0.849 216 N CB 0.025 38.486 38.487 -0.045 0.000 1.002 216 N HN 0.868 nan 8.380 nan 0.000 0.425 217 T N -3.730 110.665 114.554 -0.264 0.000 2.916 217 T HA 0.623 4.972 4.350 -0.001 0.000 0.292 217 T C -1.248 173.107 174.700 -0.575 0.000 1.064 217 T CA -0.820 61.159 62.100 -0.203 0.000 1.011 217 T CB 1.389 70.196 68.868 -0.102 0.000 1.152 217 T HN 0.142 nan 8.240 nan 0.000 0.510 218 W N 0.173 121.434 121.300 -0.065 0.000 3.138 218 W HA 0.638 5.297 4.660 -0.001 0.000 0.331 218 W C -0.642 175.752 176.519 -0.209 0.000 1.166 218 W CA -0.848 56.399 57.345 -0.163 0.000 1.212 218 W CB 2.183 31.576 29.460 -0.111 0.000 1.399 218 W HN 0.617 nan 8.180 nan 0.000 0.514 219 K N 2.147 122.417 120.400 -0.217 0.000 2.378 219 K HA 0.572 4.891 4.320 -0.001 0.000 0.252 219 K C -1.442 175.017 176.600 -0.234 0.000 0.931 219 K CA -1.071 55.067 56.287 -0.248 0.000 0.794 219 K CB 2.116 34.255 32.500 -0.603 0.000 1.181 219 K HN 0.187 nan 8.250 nan 0.000 0.425 220 F N 1.782 121.791 119.950 0.099 0.000 2.391 220 F HA 0.313 4.839 4.527 -0.001 0.000 0.359 220 F C 0.871 176.796 175.800 0.209 0.000 1.122 220 F CA -0.548 57.553 58.000 0.167 0.000 1.120 220 F CB 1.104 40.237 39.000 0.220 0.000 1.142 220 F HN 0.570 nan 8.300 nan 0.000 0.483 221 A N 3.248 126.322 122.820 0.424 0.000 2.386 221 A HA 0.158 4.477 4.320 -0.001 0.000 0.246 221 A C 1.322 179.022 177.584 0.195 0.000 1.089 221 A CA -0.247 52.015 52.037 0.375 0.000 0.790 221 A CB 0.289 19.515 19.000 0.377 0.000 1.042 221 A HN 0.906 nan 8.150 nan 0.000 0.497 222 E N 0.725 121.012 120.200 0.145 0.000 2.152 222 E HA -0.003 4.346 4.350 -0.001 0.000 0.192 222 E C 1.248 177.785 176.600 -0.106 0.000 0.983 222 E CA 0.616 57.041 56.400 0.042 0.000 0.818 222 E CB -0.071 29.668 29.700 0.064 0.000 0.758 222 E HN 0.791 nan 8.360 nan 0.000 0.467 223 G N 1.051 109.768 108.800 -0.137 0.000 2.572 223 G HA2 0.368 4.327 3.960 -0.001 0.000 0.261 223 G HA3 0.368 4.327 3.960 -0.001 0.000 0.261 223 G C -0.196 174.059 174.900 -1.076 0.000 1.197 223 G CA -0.432 44.359 45.100 -0.514 0.000 0.870 223 G HN 0.145 nan 8.290 nan 0.000 0.548 224 R N -1.628 118.037 120.500 -1.393 0.000 2.747 224 R HA 0.642 4.981 4.340 -0.001 0.000 0.272 224 R C -0.142 175.276 176.300 -1.470 0.000 1.032 224 R CA -0.597 54.583 56.100 -1.533 0.000 0.896 224 R CB 0.596 30.471 30.300 -0.709 0.000 1.253 224 R HN 0.692 nan 8.270 nan 0.000 0.461 225 S N 0.117 115.171 115.700 -1.077 0.000 2.624 225 S HA 0.270 4.739 4.470 -0.001 0.000 0.263 225 S C -0.006 174.351 174.600 -0.404 0.000 1.287 225 S CA -0.818 56.981 58.200 -0.668 0.000 0.990 225 S CB 0.650 63.763 63.200 -0.145 0.000 0.950 225 S HN 0.537 nan 8.310 nan 0.000 0.561 226 K N 0.032 120.369 120.400 -0.104 0.000 2.397 226 K HA 0.126 4.445 4.320 -0.001 0.000 0.265 226 K C -0.443 176.110 176.600 -0.077 0.000 0.982 226 K CA 0.179 56.423 56.287 -0.072 0.000 0.931 226 K CB 0.025 32.607 32.500 0.138 0.000 0.943 226 K HN 0.524 nan 8.250 nan 0.000 0.501 227 F N 0.100 120.077 119.950 0.044 0.000 2.563 227 F HA 0.047 4.573 4.527 -0.001 0.000 0.363 227 F C 1.693 177.555 175.800 0.103 0.000 1.123 227 F CA 1.562 59.611 58.000 0.081 0.000 1.307 227 F CB 0.611 39.627 39.000 0.026 0.000 1.115 227 F HN 0.827 nan 8.300 nan 0.000 0.592 228 G N 0.727 109.711 108.800 0.307 0.000 2.184 228 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.206 228 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.206 228 G C -0.471 174.539 174.900 0.182 0.000 0.995 228 G CA -0.439 44.784 45.100 0.204 0.000 0.651 228 G HN 0.755 nan 8.290 nan 0.000 0.511 229 C N 2.188 121.609 119.300 0.202 0.000 2.350 229 C HA 0.874 5.334 4.460 -0.001 0.000 0.348 229 C C 0.905 176.006 174.990 0.185 0.000 1.260 229 C CA 0.320 59.455 59.018 0.195 0.000 1.966 229 C CB 0.720 28.598 27.740 0.230 0.000 2.380 229 C HN 0.981 nan 8.230 nan 0.000 0.535 230 S N 0.469 116.273 115.700 0.173 0.000 2.720 230 S HA 0.573 5.042 4.470 -0.001 0.000 0.287 230 S C -0.793 173.898 174.600 0.151 0.000 1.168 230 S CA -0.779 57.528 58.200 0.179 0.000 0.832 230 S CB 0.494 63.806 63.200 0.187 0.000 1.166 230 S HN 0.753 nan 8.310 nan 0.000 0.493 231 E N 1.659 121.945 120.200 0.142 0.000 2.024 231 E HA -0.142 4.208 4.350 -0.001 0.000 0.171 231 E C -2.257 174.394 176.600 0.085 0.000 1.417 231 E CA 0.383 56.833 56.400 0.083 0.000 0.650 231 E CB -1.264 28.439 29.700 0.005 0.000 1.044 231 E HN 0.439 nan 8.360 nan 0.000 0.308 232 P HA 0.157 nan 4.420 nan 0.000 0.275 232 P C -0.790 176.596 177.300 0.143 0.000 1.227 232 P CA -0.010 63.181 63.100 0.151 0.000 0.781 232 P CB 1.368 33.194 31.700 0.210 0.000 0.906 233 A N 3.129 126.039 122.820 0.149 0.000 2.330 233 A HA 0.603 4.922 4.320 -0.001 0.000 0.327 233 A C -0.866 176.897 177.584 0.298 0.000 1.155 233 A CA -0.807 51.360 52.037 0.216 0.000 0.803 233 A CB 1.455 20.604 19.000 0.247 0.000 1.208 233 A HN 0.430 nan 8.150 nan 0.000 0.477 234 V N 3.629 123.708 119.914 0.275 0.000 2.735 234 V HA 0.778 4.897 4.120 -0.001 0.000 0.310 234 V C -1.058 175.132 176.094 0.160 0.000 1.061 234 V CA -0.473 61.964 62.300 0.228 0.000 0.913 234 V CB 1.600 33.500 31.823 0.128 0.000 1.005 234 V HN 1.155 nan 8.190 nan 0.000 0.428 235 L N 3.068 124.339 121.223 0.081 0.000 2.322 235 L HA 0.802 5.141 4.340 -0.001 0.000 0.252 235 L C -0.639 176.249 176.870 0.029 0.000 1.055 235 L CA -0.662 54.163 54.840 -0.025 0.000 0.849 235 L CB 1.689 43.605 42.059 -0.238 0.000 1.446 235 L HN 0.677 nan 8.230 nan 0.000 0.416 236 E N 0.493 120.723 120.200 0.050 0.000 2.183 236 E HA 0.413 4.762 4.350 -0.001 0.000 0.271 236 E C -2.064 174.650 176.600 0.190 0.000 0.919 236 E CA -0.736 55.715 56.400 0.085 0.000 0.781 236 E CB 1.601 31.322 29.700 0.035 0.000 1.140 236 E HN 0.704 nan 8.360 nan 0.000 0.402 237 W N 5.615 126.889 121.300 -0.045 0.000 3.036 237 W HA 0.188 4.847 4.660 -0.001 0.000 0.337 237 W C -1.056 175.448 176.519 -0.025 0.000 1.055 237 W CA -0.488 56.837 57.345 -0.034 0.000 1.248 237 W CB 1.039 30.482 29.460 -0.029 0.000 1.335 237 W HN 0.822 nan 8.180 nan 0.000 0.446 238 E N 3.369 123.313 120.200 -0.427 0.000 2.238 238 E HA -0.221 4.128 4.350 -0.001 0.000 0.219 238 E C 0.979 177.522 176.600 -0.094 0.000 1.275 238 E CA 1.283 57.499 56.400 -0.307 0.000 0.714 238 E CB -1.299 28.182 29.700 -0.365 0.000 1.154 238 E HN 0.980 nan 8.360 nan 0.000 0.363 239 G N 0.132 108.893 108.800 -0.066 0.000 2.143 239 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.248 239 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.248 239 G C -0.012 174.886 174.900 -0.004 0.000 0.991 239 G CA 0.759 45.839 45.100 -0.034 0.000 0.689 239 G HN 0.280 nan 8.290 nan 0.000 0.522 240 K N -0.484 119.936 120.400 0.033 0.000 2.426 240 K HA 0.610 4.929 4.320 -0.001 0.000 0.251 240 K C 0.107 176.727 176.600 0.034 0.000 0.941 240 K CA -1.016 55.291 56.287 0.033 0.000 0.808 240 K CB 2.048 34.591 32.500 0.072 0.000 1.265 240 K HN 0.096 nan 8.250 nan 0.000 0.432 241 L N 3.660 124.866 121.223 -0.028 0.000 2.367 241 L HA 0.379 4.718 4.340 -0.001 0.000 0.275 241 L C -0.086 176.755 176.870 -0.048 0.000 1.129 241 L CA -0.299 54.513 54.840 -0.047 0.000 0.839 241 L CB 0.200 42.185 42.059 -0.123 0.000 1.133 241 L HN 0.402 nan 8.230 nan 0.000 0.453 242 I N 4.795 125.385 120.570 0.033 0.000 2.382 242 I HA 0.341 4.511 4.170 -0.001 0.000 0.286 242 I C -0.590 175.626 176.117 0.165 0.000 1.002 242 I CA -0.475 60.882 61.300 0.095 0.000 1.135 242 I CB 1.818 39.940 38.000 0.203 0.000 1.288 242 I HN 0.429 nan 8.210 nan 0.000 0.448 243 I N 6.143 126.724 120.570 0.019 0.000 2.354 243 I HA 0.280 4.449 4.170 -0.001 0.000 0.286 243 I C 0.003 176.143 176.117 0.038 0.000 1.007 243 I CA -0.212 61.097 61.300 0.016 0.000 1.167 243 I CB 0.977 38.850 38.000 -0.212 0.000 1.320 243 I HN 0.452 nan 8.210 nan 0.000 0.458 244 N N 6.618 125.301 118.700 -0.027 0.000 2.469 244 N HA 0.299 5.038 4.740 -0.001 0.000 0.253 244 N C -1.199 174.290 175.510 -0.035 0.000 0.970 244 N CA -0.337 52.578 53.050 -0.224 0.000 0.940 244 N CB 0.899 38.865 38.487 -0.868 0.000 1.128 244 N HN 0.504 nan 8.380 nan 0.000 0.503 245 N N 2.042 120.763 118.700 0.036 0.000 2.443 245 N HA 0.183 4.922 4.740 -0.001 0.000 0.295 245 N C -0.071 175.500 175.510 0.101 0.000 1.076 245 N CA -0.458 52.661 53.050 0.115 0.000 0.919 245 N CB 2.112 40.719 38.487 0.200 0.000 1.176 245 N HN 0.447 nan 8.380 nan 0.000 0.487 246 R N 1.136 121.703 120.500 0.111 0.000 2.537 246 R HA 0.206 4.545 4.340 -0.001 0.000 0.280 246 R C -1.046 175.333 176.300 0.132 0.000 1.058 246 R CA 0.053 56.224 56.100 0.120 0.000 1.057 246 R CB 0.354 30.707 30.300 0.088 0.000 0.973 246 R HN 0.268 nan 8.270 nan 0.000 0.438 247 V N 5.237 125.231 119.914 0.134 0.000 2.439 247 V HA 0.099 4.218 4.120 -0.001 0.000 0.277 247 V C -0.911 175.259 176.094 0.126 0.000 1.008 247 V CA -0.976 61.400 62.300 0.128 0.000 0.846 247 V CB 1.320 33.213 31.823 0.116 0.000 1.031 247 V HN 0.844 nan 8.190 nan 0.000 0.441 248 D N 3.630 124.104 120.400 0.123 0.000 2.493 248 D HA 0.300 4.939 4.640 -0.001 0.000 0.240 248 D C 1.365 177.726 176.300 0.102 0.000 1.142 248 D CA 1.829 55.900 54.000 0.117 0.000 0.872 248 D CB 1.351 42.216 40.800 0.109 0.000 1.173 248 D HN 0.971 nan 8.370 nan 0.000 0.467 249 G N 2.231 111.089 108.800 0.098 0.000 2.162 249 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.260 249 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.260 249 G C 0.446 175.389 174.900 0.071 0.000 0.976 249 G CA 0.544 45.692 45.100 0.079 0.000 0.655 249 G HN 0.673 nan 8.290 nan 0.000 0.533 250 N N -1.973 116.775 118.700 0.081 0.000 3.364 250 N HA 0.512 5.251 4.740 -0.001 0.000 0.294 250 N C -0.177 175.384 175.510 0.085 0.000 1.562 250 N CA -1.130 51.965 53.050 0.076 0.000 0.862 250 N CB 0.796 39.333 38.487 0.083 0.000 1.691 250 N HN 0.167 nan 8.380 nan 0.000 0.572 251 R N 1.018 121.579 120.500 0.101 0.000 2.582 251 R HA 0.291 4.630 4.340 -0.001 0.000 0.271 251 R C -0.317 176.028 176.300 0.074 0.000 1.078 251 R CA -0.132 56.030 56.100 0.103 0.000 1.127 251 R CB 0.490 30.898 30.300 0.180 0.000 1.038 251 R HN 0.400 nan 8.270 nan 0.000 0.500 252 R N 1.993 122.490 120.500 -0.005 0.000 2.347 252 R HA 0.135 4.475 4.340 -0.001 0.000 0.304 252 R C -0.205 175.963 176.300 -0.220 0.000 1.072 252 R CA -0.151 55.922 56.100 -0.045 0.000 0.980 252 R CB 0.339 30.637 30.300 -0.003 0.000 0.986 252 R HN 0.314 nan 8.270 nan 0.000 0.448 253 L N 3.699 124.806 121.223 -0.194 0.000 2.305 253 L HA 0.323 4.662 4.340 -0.001 0.000 0.281 253 L C -0.317 176.380 176.870 -0.288 0.000 1.085 253 L CA -0.602 54.026 54.840 -0.353 0.000 0.813 253 L CB 1.301 43.265 42.059 -0.159 0.000 1.157 253 L HN 0.298 nan 8.230 nan 0.000 0.436 254 V N 3.372 123.017 119.914 -0.449 0.000 2.604 254 V HA 0.457 4.576 4.120 -0.001 0.000 0.305 254 V C -0.847 174.989 176.094 -0.430 0.000 1.043 254 V CA -0.723 61.395 62.300 -0.305 0.000 0.888 254 V CB 1.710 33.379 31.823 -0.256 0.000 0.995 254 V HN 0.422 nan 8.190 nan 0.000 0.429 255 Y N 1.430 121.682 120.300 -0.080 0.000 2.562 255 Y HA 0.626 5.175 4.550 -0.001 0.000 0.343 255 Y C 0.285 176.087 175.900 -0.164 0.000 1.025 255 Y CA -0.815 57.240 58.100 -0.074 0.000 1.082 255 Y CB 2.047 40.522 38.460 0.024 0.000 1.264 255 Y HN 0.572 nan 8.280 nan 0.000 0.478 256 E N 0.534 120.750 120.200 0.025 0.000 2.256 256 E HA 0.589 4.938 4.350 -0.001 0.000 0.267 256 E C -1.339 175.198 176.600 -0.105 0.000 0.892 256 E CA -0.921 55.447 56.400 -0.054 0.000 0.775 256 E CB 2.317 32.015 29.700 -0.004 0.000 1.207 256 E HN 0.378 nan 8.360 nan 0.000 0.420 257 S N 0.469 116.069 115.700 -0.168 0.000 2.571 257 S HA 0.243 4.712 4.470 -0.001 0.000 0.284 257 S C -0.157 174.404 174.600 -0.066 0.000 1.128 257 S CA -0.522 57.602 58.200 -0.127 0.000 0.970 257 S CB 1.190 64.231 63.200 -0.264 0.000 1.039 257 S HN 0.505 nan 8.310 nan 0.000 0.485 258 S N 2.024 117.713 115.700 -0.019 0.000 2.578 258 S HA 0.232 4.701 4.470 -0.001 0.000 0.231 258 S C -0.332 174.256 174.600 -0.021 0.000 0.994 258 S CA -0.091 58.099 58.200 -0.016 0.000 0.956 258 S CB -0.190 63.011 63.200 0.003 0.000 0.870 258 S HN 0.730 nan 8.310 nan 0.000 0.494 259 D N 0.277 120.666 120.400 -0.019 0.000 2.963 259 D HA 0.353 4.992 4.640 -0.001 0.000 0.361 259 D C 0.315 176.582 176.300 -0.055 0.000 1.317 259 D CA -0.781 53.207 54.000 -0.022 0.000 0.832 259 D CB 0.245 41.054 40.800 0.015 0.000 1.135 259 D HN 0.112 nan 8.370 nan 0.000 0.476 260 M N 1.078 120.612 119.600 -0.111 0.000 2.393 260 M HA -0.156 4.323 4.480 -0.001 0.000 0.201 260 M C 1.007 177.196 176.300 -0.185 0.000 0.403 260 M CA 1.163 56.327 55.300 -0.227 0.000 0.471 260 M CB -1.557 30.812 32.600 -0.386 0.000 1.669 260 M HN 1.041 nan 8.290 nan 0.000 0.864 261 G N -0.884 107.900 108.800 -0.027 0.000 2.194 261 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.236 261 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.236 261 G C 0.571 175.682 174.900 0.352 0.000 0.987 261 G CA 0.800 46.018 45.100 0.197 0.000 0.635 261 G HN 0.757 nan 8.290 nan 0.000 0.520 262 K N 0.352 120.866 120.400 0.190 0.000 2.026 262 K HA 0.046 4.365 4.320 -0.001 0.000 0.208 262 K C 0.459 177.178 176.600 0.198 0.000 1.048 262 K CA 1.802 58.191 56.287 0.170 0.000 0.929 262 K CB -0.062 32.502 32.500 0.106 0.000 0.713 262 K HN 0.398 nan 8.250 nan 0.000 0.439 263 T N 0.643 115.339 114.554 0.236 0.000 2.809 263 T HA 0.286 4.635 4.350 -0.001 0.000 0.284 263 T C -1.445 173.486 174.700 0.385 0.000 0.992 263 T CA -0.639 61.605 62.100 0.240 0.000 0.957 263 T CB 0.730 69.681 68.868 0.138 0.000 0.942 263 T HN 0.123 nan 8.240 nan 0.000 0.439 264 W N 2.286 123.584 121.300 -0.003 0.000 2.478 264 W HA 0.646 5.305 4.660 -0.001 0.000 0.318 264 W C -0.759 175.823 176.519 0.105 0.000 1.062 264 W CA -1.090 56.274 57.345 0.031 0.000 1.210 264 W CB 1.056 30.457 29.460 -0.098 0.000 1.325 264 W HN 0.308 nan 8.180 nan 0.000 0.496 265 V N 2.784 122.901 119.914 0.337 0.000 2.444 265 V HA 0.168 4.287 4.120 -0.001 0.000 0.294 265 V C 0.093 176.310 176.094 0.206 0.000 1.022 265 V CA -1.464 60.975 62.300 0.233 0.000 0.850 265 V CB 1.411 33.305 31.823 0.118 0.000 0.992 265 V HN 0.506 nan 8.190 nan 0.000 0.426 266 E N 3.527 123.806 120.200 0.132 0.000 2.465 266 E HA 0.192 4.541 4.350 -0.001 0.000 0.260 266 E C 0.611 177.075 176.600 -0.227 0.000 0.980 266 E CA -0.005 56.266 56.400 -0.214 0.000 0.927 266 E CB 0.871 30.409 29.700 -0.269 0.000 0.934 266 E HN 0.881 nan 8.360 nan 0.000 0.459 267 A N 6.375 129.034 122.820 -0.268 0.000 3.051 267 A HA 0.096 4.415 4.320 -0.001 0.000 0.257 267 A C 1.037 178.476 177.584 -0.242 0.000 1.785 267 A CA -0.129 51.782 52.037 -0.210 0.000 1.420 267 A CB -0.492 18.406 19.000 -0.170 0.000 1.063 267 A HN 0.819 nan 8.150 nan 0.000 0.630 268 L N -0.040 120.980 121.223 -0.339 0.000 2.201 268 L HA -0.101 4.238 4.340 -0.001 0.000 0.212 268 L C 2.401 179.163 176.870 -0.181 0.000 1.105 268 L CA 1.301 55.917 54.840 -0.374 0.000 0.775 268 L CB -0.060 41.495 42.059 -0.839 0.000 0.913 268 L HN 0.642 nan 8.230 nan 0.000 0.440 269 G N -1.734 106.996 108.800 -0.116 0.000 3.042 269 G HA2 0.031 3.991 3.960 -0.001 0.000 0.212 269 G HA3 0.031 3.991 3.960 -0.001 0.000 0.212 269 G C 1.128 176.060 174.900 0.054 0.000 1.166 269 G CA 0.880 46.069 45.100 0.149 0.000 0.767 269 G HN 0.435 nan 8.290 nan 0.000 0.546 270 T N -2.558 111.980 114.554 -0.026 0.000 3.451 270 T HA 0.218 4.568 4.350 -0.001 0.000 0.201 270 T C 1.683 176.314 174.700 -0.116 0.000 0.965 270 T CA -0.104 61.945 62.100 -0.086 0.000 1.088 270 T CB 0.070 68.865 68.868 -0.123 0.000 1.251 270 T HN -0.028 nan 8.240 nan 0.000 0.325 271 L N 1.016 122.136 121.223 -0.172 0.000 2.781 271 L HA 0.450 4.789 4.340 -0.001 0.000 0.245 271 L C 1.041 177.727 176.870 -0.308 0.000 1.118 271 L CA -0.223 54.461 54.840 -0.260 0.000 0.918 271 L CB 0.670 42.640 42.059 -0.148 0.000 1.246 271 L HN 0.284 nan 8.230 nan 0.000 0.526 272 S N -0.211 115.315 115.700 -0.289 0.000 2.549 272 S HA 0.114 4.583 4.470 -0.001 0.000 0.279 272 S C 0.841 175.202 174.600 -0.399 0.000 1.321 272 S CA -0.059 57.885 58.200 -0.426 0.000 1.054 272 S CB -0.144 62.764 63.200 -0.485 0.000 0.899 272 S HN 0.488 nan 8.310 nan 0.000 0.497 273 H N 1.044 119.987 119.070 -0.211 0.000 3.395 273 H HA -0.145 4.410 4.556 -0.001 0.000 0.222 273 H C 1.208 176.365 175.328 -0.285 0.000 1.099 273 H CA 0.950 56.879 56.048 -0.199 0.000 1.182 273 H CB -2.211 27.453 29.762 -0.163 0.000 1.188 273 H HN 0.405 nan 8.280 nan 0.000 0.317 274 V N -0.656 119.026 119.914 -0.387 0.000 2.307 274 V HA -0.144 3.975 4.120 -0.001 0.000 0.245 274 V C 1.505 177.170 176.094 -0.715 0.000 1.045 274 V CA 1.806 63.700 62.300 -0.676 0.000 1.024 274 V CB -0.010 31.089 31.823 -1.207 0.000 0.651 274 V HN 0.267 nan 8.190 nan 0.000 0.449 275 W N -1.059 119.974 121.300 -0.444 0.000 2.578 275 W HA 0.636 5.295 4.660 -0.001 0.000 0.353 275 W C 0.252 176.570 176.519 -0.335 0.000 1.088 275 W CA -0.111 56.943 57.345 -0.486 0.000 1.235 275 W CB 1.234 30.305 29.460 -0.647 0.000 1.362 275 W HN -0.034 nan 8.180 nan 0.000 0.592 276 T N -0.294 114.197 114.554 -0.104 0.000 2.648 276 T HA 0.104 4.453 4.350 -0.001 0.000 0.304 276 T C 0.492 175.115 174.700 -0.128 0.000 1.312 276 T CA -0.350 61.699 62.100 -0.085 0.000 1.023 276 T CB 0.706 69.550 68.868 -0.041 0.000 1.612 276 T HN 0.428 nan 8.240 nan 0.000 0.487 277 N N 0.340 119.059 118.700 0.032 0.000 2.392 277 N HA 0.284 5.023 4.740 -0.001 0.000 0.177 277 N C 0.051 175.660 175.510 0.165 0.000 1.066 277 N CA 0.468 53.618 53.050 0.166 0.000 0.895 277 N CB 0.350 38.937 38.487 0.167 0.000 0.988 277 N HN 0.680 nan 8.380 nan 0.000 0.457 278 S N -3.274 112.481 115.700 0.091 0.000 2.645 278 S HA 0.300 4.769 4.470 -0.001 0.000 0.268 278 S C -2.693 171.931 174.600 0.041 0.000 1.110 278 S CA -1.038 57.208 58.200 0.076 0.000 0.823 278 S CB 1.094 64.335 63.200 0.069 0.000 1.091 278 S HN -0.237 nan 8.310 nan 0.000 0.466 279 P HA -0.092 nan 4.420 nan 0.000 0.216 279 P C 1.435 178.737 177.300 0.003 0.000 1.150 279 P CA 2.438 65.545 63.100 0.013 0.000 0.843 279 P CB -0.238 31.468 31.700 0.011 0.000 0.787 280 T N -7.019 107.541 114.554 0.011 0.000 3.086 280 T HA 0.214 4.563 4.350 -0.001 0.000 0.250 280 T C 1.086 175.793 174.700 0.011 0.000 1.074 280 T CA 0.379 62.482 62.100 0.006 0.000 0.988 280 T CB -0.625 68.249 68.868 0.010 0.000 0.988 280 T HN -0.098 nan 8.240 nan 0.000 0.530 281 S N 1.835 117.548 115.700 0.020 0.000 2.981 281 S HA -0.188 4.281 4.470 -0.001 0.000 0.274 281 S C 0.921 175.546 174.600 0.041 0.000 1.297 281 S CA 1.080 59.297 58.200 0.028 0.000 1.266 281 S CB -1.786 61.421 63.200 0.011 0.000 1.542 281 S HN 0.932 nan 8.310 nan 0.000 0.674 282 N N 0.706 119.431 118.700 0.041 0.000 2.251 282 N HA 0.094 4.833 4.740 -0.001 0.000 0.217 282 N C -0.020 175.527 175.510 0.061 0.000 1.124 282 N CA -0.191 52.886 53.050 0.046 0.000 0.843 282 N CB 0.226 38.733 38.487 0.033 0.000 1.024 282 N HN 0.368 nan 8.380 nan 0.000 0.501 283 Q N 0.271 120.116 119.800 0.075 0.000 2.306 283 Q HA 0.187 4.526 4.340 -0.001 0.000 0.269 283 Q C -0.421 175.650 176.000 0.119 0.000 1.053 283 Q CA -0.654 55.205 55.803 0.093 0.000 0.879 283 Q CB 1.484 30.276 28.738 0.090 0.000 1.344 283 Q HN 0.403 nan 8.270 nan 0.000 0.464 284 Q N 1.269 121.154 119.800 0.141 0.000 2.283 284 Q HA -0.080 4.259 4.340 -0.001 0.000 0.301 284 Q C -0.468 175.638 176.000 0.178 0.000 1.063 284 Q CA 0.354 56.255 55.803 0.164 0.000 0.952 284 Q CB 0.591 29.452 28.738 0.205 0.000 1.166 284 Q HN 0.414 nan 8.270 nan 0.000 0.381 285 D N 1.751 122.257 120.400 0.177 0.000 2.469 285 D HA 0.395 5.034 4.640 -0.001 0.000 0.278 285 D C -1.292 175.113 176.300 0.175 0.000 1.231 285 D CA -0.611 53.514 54.000 0.209 0.000 1.075 285 D CB 1.224 42.146 40.800 0.204 0.000 1.121 285 D HN 0.612 nan 8.370 nan 0.000 0.571 286 C N 0.722 120.084 119.300 0.103 0.000 2.985 286 C HA 0.324 4.783 4.460 -0.001 0.000 0.314 286 C C -0.608 174.223 174.990 -0.265 0.000 1.215 286 C CA -0.704 58.270 59.018 -0.074 0.000 1.414 286 C CB 1.311 28.916 27.740 -0.225 0.000 1.842 286 C HN 0.598 nan 8.230 nan 0.000 0.477 287 Q N 2.703 122.168 119.800 -0.557 0.000 2.386 287 Q HA 0.319 4.658 4.340 -0.001 0.000 0.282 287 Q C -0.616 175.102 176.000 -0.471 0.000 1.050 287 Q CA 1.074 56.500 55.803 -0.628 0.000 0.918 287 Q CB 0.927 28.878 28.738 -1.313 0.000 1.266 287 Q HN 0.857 nan 8.270 nan 0.000 0.423 288 S N 1.367 116.871 115.700 -0.326 0.000 2.548 288 S HA 0.394 4.863 4.470 -0.001 0.000 0.286 288 S C -0.956 173.510 174.600 -0.223 0.000 1.098 288 S CA -0.645 57.325 58.200 -0.383 0.000 0.930 288 S CB 1.707 64.578 63.200 -0.549 0.000 1.070 288 S HN 0.730 nan 8.310 nan 0.000 0.480 289 S N 1.313 116.893 115.700 -0.200 0.000 2.610 289 S HA 0.778 5.247 4.470 -0.001 0.000 0.273 289 S C -0.939 173.724 174.600 0.105 0.000 1.274 289 S CA -0.407 57.785 58.200 -0.014 0.000 1.023 289 S CB 0.541 63.756 63.200 0.024 0.000 0.962 289 S HN 0.570 nan 8.310 nan 0.000 0.523 290 F N 1.955 121.919 119.950 0.023 0.000 3.051 290 F HA 0.536 5.062 4.527 -0.001 0.000 0.363 290 F C -1.653 174.212 175.800 0.109 0.000 1.257 290 F CA -0.882 57.182 58.000 0.107 0.000 1.126 290 F CB 1.085 40.178 39.000 0.155 0.000 1.476 290 F HN 0.546 nan 8.300 nan 0.000 0.576 291 V N 4.869 124.753 119.914 -0.050 0.000 2.577 291 V HA 0.784 4.903 4.120 -0.001 0.000 0.303 291 V C -0.105 175.947 176.094 -0.069 0.000 1.042 291 V CA -0.836 61.443 62.300 -0.035 0.000 0.872 291 V CB 1.622 33.493 31.823 0.080 0.000 0.998 291 V HN 0.905 nan 8.190 nan 0.000 0.423 292 A N 4.788 127.580 122.820 -0.046 0.000 2.366 292 A HA 0.836 5.156 4.320 -0.001 0.000 0.272 292 A C -0.162 177.488 177.584 0.110 0.000 1.135 292 A CA -0.177 51.897 52.037 0.060 0.000 0.804 292 A CB 0.768 19.838 19.000 0.116 0.000 1.064 292 A HN 1.568 nan 8.150 nan 0.000 0.499 293 V N -0.411 119.581 119.914 0.130 0.000 3.182 293 V HA 0.876 4.995 4.120 -0.001 0.000 0.308 293 V C -0.367 175.798 176.094 0.118 0.000 1.240 293 V CA -0.638 61.741 62.300 0.131 0.000 1.063 293 V CB 1.680 33.544 31.823 0.068 0.000 1.076 293 V HN 0.688 nan 8.190 nan 0.000 0.446 294 T N 2.828 117.459 114.554 0.127 0.000 2.833 294 T HA 0.680 5.030 4.350 -0.001 0.000 0.297 294 T C -0.553 174.205 174.700 0.096 0.000 1.015 294 T CA 0.046 62.214 62.100 0.113 0.000 0.963 294 T CB 0.462 69.405 68.868 0.125 0.000 0.955 294 T HN 0.628 nan 8.240 nan 0.000 0.449 295 I N 2.908 123.484 120.570 0.010 0.000 2.418 295 I HA 0.323 4.492 4.170 -0.001 0.000 0.287 295 I C 0.419 176.547 176.117 0.019 0.000 1.008 295 I CA -0.571 60.697 61.300 -0.052 0.000 1.104 295 I CB 1.699 39.589 38.000 -0.183 0.000 1.264 295 I HN 0.631 nan 8.210 nan 0.000 0.438 296 E N 4.784 125.012 120.200 0.048 0.000 2.513 296 E HA -0.220 4.129 4.350 -0.001 0.000 0.257 296 E C 0.860 177.491 176.600 0.051 0.000 1.098 296 E CA 1.045 57.468 56.400 0.039 0.000 0.752 296 E CB -1.236 28.464 29.700 0.001 0.000 1.324 296 E HN 1.112 nan 8.360 nan 0.000 0.403 297 G N -0.628 108.210 108.800 0.063 0.000 2.184 297 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.264 297 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.264 297 G C 0.244 175.184 174.900 0.066 0.000 0.975 297 G CA 0.745 45.880 45.100 0.060 0.000 0.642 297 G HN 0.526 nan 8.290 nan 0.000 0.536 298 K N -0.038 120.412 120.400 0.083 0.000 2.292 298 K HA 0.637 4.956 4.320 -0.001 0.000 0.257 298 K C 0.218 176.896 176.600 0.130 0.000 0.940 298 K CA -1.178 55.178 56.287 0.114 0.000 0.811 298 K CB 0.885 33.487 32.500 0.170 0.000 1.120 298 K HN 0.079 nan 8.250 nan 0.000 0.428 299 R N 2.741 123.312 120.500 0.118 0.000 2.401 299 R HA 0.194 4.533 4.340 -0.001 0.000 0.299 299 R C -0.729 175.803 176.300 0.386 0.000 1.064 299 R CA -0.109 56.083 56.100 0.153 0.000 1.000 299 R CB 0.438 30.705 30.300 -0.055 0.000 0.973 299 R HN 0.460 nan 8.270 nan 0.000 0.438 300 V N 1.227 121.370 119.914 0.380 0.000 3.160 300 V HA 0.646 4.765 4.120 -0.001 0.000 0.310 300 V C -0.479 175.780 176.094 0.274 0.000 1.181 300 V CA -1.274 61.263 62.300 0.396 0.000 1.047 300 V CB 2.368 34.376 31.823 0.308 0.000 1.068 300 V HN 0.673 nan 8.190 nan 0.000 0.441 301 M N 2.364 122.034 119.600 0.115 0.000 2.364 301 M HA 0.649 5.128 4.480 -0.001 0.000 0.334 301 M C -1.112 175.278 176.300 0.148 0.000 1.107 301 M CA -0.358 54.944 55.300 0.005 0.000 0.988 301 M CB 1.904 34.371 32.600 -0.222 0.000 1.673 301 M HN 0.503 nan 8.290 nan 0.000 0.441 302 L N 2.761 124.068 121.223 0.141 0.000 2.334 302 L HA 0.699 5.039 4.340 -0.001 0.000 0.276 302 L C -1.326 175.750 176.870 0.344 0.000 1.014 302 L CA -0.601 54.380 54.840 0.235 0.000 0.815 302 L CB 1.710 43.861 42.059 0.153 0.000 1.268 302 L HN 0.624 nan 8.230 nan 0.000 0.428 303 F N 1.854 121.927 119.950 0.205 0.000 2.573 303 F HA 0.512 5.038 4.527 -0.001 0.000 0.316 303 F C -0.379 175.514 175.800 0.154 0.000 1.148 303 F CA -0.370 57.696 58.000 0.111 0.000 0.940 303 F CB 1.973 40.814 39.000 -0.266 0.000 1.214 303 F HN 0.452 nan 8.300 nan 0.000 0.448 304 T N 2.867 117.093 114.554 -0.546 0.000 2.829 304 T HA 0.584 4.933 4.350 -0.001 0.000 0.280 304 T C -1.395 173.003 174.700 -0.503 0.000 0.999 304 T CA -0.535 61.381 62.100 -0.306 0.000 0.983 304 T CB 1.709 70.476 68.868 -0.168 0.000 0.968 304 T HN 0.819 nan 8.240 nan 0.000 0.446 305 H N 1.648 120.633 119.070 -0.142 0.000 3.121 305 H HA 0.347 4.902 4.556 -0.001 0.000 0.337 305 H C -3.301 172.126 175.328 0.164 0.000 1.198 305 H CA -1.243 54.776 56.048 -0.049 0.000 1.274 305 H CB 2.377 32.130 29.762 -0.016 0.000 1.954 305 H HN 0.422 nan 8.280 nan 0.000 0.531 306 P HA 0.104 nan 4.420 nan 0.000 0.272 306 P C 1.259 178.817 177.300 0.431 0.000 1.223 306 P CA -0.191 63.069 63.100 0.266 0.000 0.784 306 P CB 1.111 32.886 31.700 0.125 0.000 0.923 307 L N 1.167 122.563 121.223 0.289 0.000 2.141 307 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 307 L C 0.803 177.774 176.870 0.168 0.000 1.094 307 L CA 0.976 55.943 54.840 0.212 0.000 0.763 307 L CB -0.770 41.363 42.059 0.124 0.000 0.908 307 L HN 0.534 nan 8.230 nan 0.000 0.437 308 N N -0.209 118.575 118.700 0.140 0.000 2.740 308 N HA -0.209 4.530 4.740 -0.001 0.000 0.248 308 N C 0.715 176.257 175.510 0.054 0.000 1.062 308 N CA 0.318 53.424 53.050 0.093 0.000 0.704 308 N CB -1.272 37.294 38.487 0.131 0.000 0.968 308 N HN 0.268 nan 8.380 nan 0.000 0.547 309 L N -0.397 120.853 121.223 0.045 0.000 2.189 309 L HA -0.214 4.125 4.340 -0.001 0.000 0.214 309 L C 2.056 178.923 176.870 -0.004 0.000 1.097 309 L CA 1.504 56.358 54.840 0.023 0.000 0.764 309 L CB -0.348 41.725 42.059 0.023 0.000 0.900 309 L HN 0.325 nan 8.230 nan 0.000 0.436 310 K N 0.042 120.426 120.400 -0.026 0.000 2.296 310 K HA 0.166 4.485 4.320 -0.001 0.000 0.200 310 K C 0.976 177.520 176.600 -0.093 0.000 1.048 310 K CA 0.486 56.732 56.287 -0.069 0.000 0.966 310 K CB 0.025 32.462 32.500 -0.105 0.000 0.754 310 K HN 0.382 nan 8.250 nan 0.000 0.466 311 G N 1.084 109.843 108.800 -0.067 0.000 2.707 311 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.686 311 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.686 311 G C -0.423 174.414 174.900 -0.104 0.000 1.315 311 G CA -0.370 44.699 45.100 -0.052 0.000 0.832 311 G HN 0.273 nan 8.290 nan 0.000 0.573 312 R N -1.913 118.585 120.500 -0.004 0.000 3.869 312 R HA -0.332 4.007 4.340 -0.001 0.000 0.424 312 R C 1.745 178.137 176.300 0.152 0.000 0.241 312 R CA 3.217 59.374 56.100 0.094 0.000 1.351 312 R CB -1.514 28.834 30.300 0.079 0.000 0.979 312 R HN 1.687 nan 8.270 nan 0.000 0.572 313 W N -0.134 121.225 121.300 0.097 0.000 3.278 313 W HA 0.318 4.978 4.660 -0.001 0.000 0.308 313 W C 1.399 177.988 176.519 0.118 0.000 1.253 313 W CA -0.369 57.047 57.345 0.118 0.000 1.759 313 W CB 0.129 29.665 29.460 0.127 0.000 1.093 313 W HN 0.197 nan 8.180 nan 0.000 0.648 314 M N 1.722 121.058 119.600 -0.439 0.000 2.086 314 M HA -0.049 4.430 4.480 -0.001 0.000 0.261 314 M C 1.096 177.363 176.300 -0.055 0.000 1.067 314 M CA 1.328 56.417 55.300 -0.351 0.000 1.116 314 M CB -1.720 30.659 32.600 -0.369 0.000 1.348 314 M HN 0.217 nan 8.290 nan 0.000 0.407 315 R N 2.103 122.605 120.500 0.003 0.000 3.336 315 R HA -0.119 4.220 4.340 -0.001 0.000 0.260 315 R C -0.556 175.780 176.300 0.059 0.000 1.032 315 R CA 0.645 56.789 56.100 0.072 0.000 0.693 315 R CB -2.074 28.303 30.300 0.128 0.000 1.134 315 R HN 0.649 nan 8.270 nan 0.000 0.433 316 D N 1.045 121.466 120.400 0.034 0.000 2.357 316 D HA 0.102 4.741 4.640 -0.001 0.000 0.242 316 D C 0.049 176.388 176.300 0.065 0.000 1.153 316 D CA -0.353 53.667 54.000 0.034 0.000 0.918 316 D CB 0.530 41.338 40.800 0.013 0.000 1.181 316 D HN 0.246 nan 8.370 nan 0.000 0.435 317 R N -0.769 119.764 120.500 0.055 0.000 3.125 317 R HA -0.192 4.147 4.340 -0.001 0.000 0.258 317 R C -0.580 175.807 176.300 0.145 0.000 0.968 317 R CA -0.217 55.937 56.100 0.090 0.000 0.656 317 R CB -1.939 28.438 30.300 0.129 0.000 1.251 317 R HN 0.448 nan 8.270 nan 0.000 0.428 318 L N 2.734 123.967 121.223 0.017 0.000 2.534 318 L HA 0.084 4.423 4.340 -0.001 0.000 0.271 318 L C 0.579 177.398 176.870 -0.085 0.000 1.178 318 L CA 0.860 55.680 54.840 -0.034 0.000 0.907 318 L CB 0.142 42.057 42.059 -0.240 0.000 1.164 318 L HN 0.175 nan 8.230 nan 0.000 0.482 319 H N 4.520 123.501 119.070 -0.147 0.000 2.573 319 H HA 0.461 5.016 4.556 -0.001 0.000 0.351 319 H C -1.093 174.035 175.328 -0.334 0.000 1.163 319 H CA -0.963 54.853 56.048 -0.386 0.000 1.205 319 H CB 2.306 31.565 29.762 -0.838 0.000 1.605 319 H HN 0.490 nan 8.280 nan 0.000 0.525 320 L N 2.751 123.788 121.223 -0.310 0.000 2.325 320 L HA 0.310 4.649 4.340 -0.001 0.000 0.281 320 L C -1.349 175.441 176.870 -0.134 0.000 1.004 320 L CA -0.457 54.326 54.840 -0.096 0.000 0.823 320 L CB 0.876 42.900 42.059 -0.059 0.000 1.236 320 L HN 0.503 nan 8.230 nan 0.000 0.415 321 W N 6.219 127.680 121.300 0.269 0.000 2.578 321 W HA 0.529 5.188 4.660 -0.002 0.000 0.346 321 W C -0.403 176.335 176.519 0.364 0.000 1.075 321 W CA -0.865 56.700 57.345 0.367 0.000 1.233 321 W CB 2.011 31.815 29.460 0.574 0.000 1.358 321 W HN 0.447 nan 8.180 nan 0.000 0.574 322 M N 2.714 122.704 119.600 0.651 0.000 2.263 322 M HA 0.408 4.887 4.480 -0.001 0.000 0.295 322 M C -1.278 175.398 176.300 0.627 0.000 1.028 322 M CA 0.092 55.708 55.300 0.527 0.000 0.921 322 M CB 2.209 35.050 32.600 0.402 0.000 1.601 322 M HN 0.314 nan 8.290 nan 0.000 0.440 323 T N 1.710 116.551 114.554 0.479 0.000 2.912 323 T HA 0.403 4.753 4.350 -0.001 0.000 0.299 323 T C -0.590 174.214 174.700 0.172 0.000 1.052 323 T CA -0.580 61.728 62.100 0.347 0.000 0.996 323 T CB 1.100 70.119 68.868 0.252 0.000 1.070 323 T HN 0.800 nan 8.240 nan 0.000 0.465 324 D N 3.334 123.767 120.400 0.055 0.000 2.491 324 D HA 0.143 4.782 4.640 -0.001 0.000 0.228 324 D C 0.810 177.056 176.300 -0.089 0.000 1.183 324 D CA -0.315 53.734 54.000 0.083 0.000 0.827 324 D CB -0.713 40.157 40.800 0.117 0.000 0.989 324 D HN 0.794 nan 8.370 nan 0.000 0.494 325 N N -0.156 118.362 118.700 -0.305 0.000 2.778 325 N HA -0.284 4.455 4.740 -0.001 0.000 0.249 325 N C 0.331 175.716 175.510 -0.209 0.000 1.069 325 N CA 1.278 54.142 53.050 -0.311 0.000 0.831 325 N CB -0.271 37.970 38.487 -0.411 0.000 1.142 325 N HN 0.489 nan 8.380 nan 0.000 0.573 326 Q N -0.818 118.835 119.800 -0.244 0.000 2.546 326 Q HA 0.211 4.551 4.340 -0.001 0.000 0.203 326 Q C -0.026 175.780 176.000 -0.324 0.000 0.740 326 Q CA -0.117 55.490 55.803 -0.327 0.000 0.879 326 Q CB 0.338 28.857 28.738 -0.364 0.000 1.265 326 Q HN 0.100 nan 8.270 nan 0.000 0.585 327 R N 0.833 121.083 120.500 -0.416 0.000 2.500 327 R HA 0.565 4.904 4.340 -0.001 0.000 0.277 327 R C -0.627 175.644 176.300 -0.049 0.000 1.026 327 R CA 0.017 55.941 56.100 -0.293 0.000 1.058 327 R CB 1.036 30.961 30.300 -0.626 0.000 1.078 327 R HN 0.117 nan 8.270 nan 0.000 0.509 328 I N 2.019 122.712 120.570 0.205 0.000 2.500 328 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 328 I C -1.294 175.166 176.117 0.573 0.000 1.063 328 I CA -0.622 60.892 61.300 0.357 0.000 1.062 328 I CB 1.381 39.461 38.000 0.133 0.000 1.223 328 I HN 0.420 nan 8.210 nan 0.000 0.435 329 F N 5.937 126.236 119.950 0.582 0.000 2.482 329 F HA 0.446 4.973 4.527 -0.001 0.000 0.331 329 F C -0.140 175.932 175.800 0.453 0.000 1.115 329 F CA -0.587 57.711 58.000 0.497 0.000 0.955 329 F CB 1.330 40.603 39.000 0.455 0.000 1.136 329 F HN 0.365 nan 8.300 nan 0.000 0.452 330 D N 5.165 125.325 120.400 -0.400 0.000 2.365 330 D HA 0.166 4.805 4.640 -0.001 0.000 0.237 330 D C 0.843 176.623 176.300 -0.866 0.000 1.190 330 D CA -0.037 53.601 54.000 -0.604 0.000 0.867 330 D CB 1.241 41.824 40.800 -0.363 0.000 1.050 330 D HN 0.383 nan 8.370 nan 0.000 0.491 331 V N 3.387 123.036 119.914 -0.440 0.000 2.490 331 V HA 0.181 4.300 4.120 -0.001 0.000 0.250 331 V C 1.503 177.455 176.094 -0.237 0.000 1.061 331 V CA 1.489 63.700 62.300 -0.148 0.000 1.064 331 V CB -1.296 30.550 31.823 0.038 0.000 0.670 331 V HN 0.878 nan 8.190 nan 0.000 0.461 332 G N -1.057 107.519 108.800 -0.373 0.000 2.359 332 G HA2 0.046 4.006 3.960 -0.001 0.000 0.303 332 G HA3 0.046 4.006 3.960 -0.001 0.000 0.303 332 G C -1.005 173.387 174.900 -0.848 0.000 1.293 332 G CA -0.399 44.439 45.100 -0.437 0.000 0.964 332 G HN 0.190 nan 8.290 nan 0.000 0.531 333 Q N -0.119 119.128 119.800 -0.921 0.000 2.288 333 Q HA 0.534 4.873 4.340 -0.001 0.000 0.258 333 Q C 1.443 177.207 176.000 -0.393 0.000 0.957 333 Q CA -0.033 55.273 55.803 -0.828 0.000 0.919 333 Q CB 0.608 29.040 28.738 -0.510 0.000 1.185 333 Q HN 0.762 nan 8.270 nan 0.000 0.408 334 I N 0.158 120.538 120.570 -0.318 0.000 3.708 334 I HA 0.158 4.327 4.170 -0.001 0.000 0.302 334 I C 0.671 176.724 176.117 -0.107 0.000 1.255 334 I CA -0.339 60.852 61.300 -0.181 0.000 1.362 334 I CB 0.340 38.251 38.000 -0.148 0.000 1.100 334 I HN 0.407 nan 8.210 nan 0.000 0.434 335 S N 1.669 117.277 115.700 -0.153 0.000 2.634 335 S HA 0.518 4.987 4.470 -0.001 0.000 0.261 335 S C -0.154 174.439 174.600 -0.012 0.000 1.271 335 S CA -0.557 57.618 58.200 -0.041 0.000 0.985 335 S CB 1.226 64.382 63.200 -0.074 0.000 0.968 335 S HN 0.255 nan 8.310 nan 0.000 0.568 336 I N 1.889 122.478 120.570 0.031 0.000 2.321 336 I HA 0.544 4.713 4.170 -0.001 0.000 0.291 336 I C 1.207 177.329 176.117 0.009 0.000 0.998 336 I CA 0.192 61.500 61.300 0.014 0.000 1.227 336 I CB 0.525 38.540 38.000 0.025 0.000 1.368 336 I HN 1.171 nan 8.210 nan 0.000 0.466 337 G N 5.758 114.557 108.800 -0.002 0.000 2.566 337 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.280 337 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.280 337 G C 0.336 175.240 174.900 0.007 0.000 1.225 337 G CA 0.440 45.542 45.100 0.002 0.000 0.966 337 G HN 0.855 nan 8.290 nan 0.000 0.560 338 D N 1.584 121.988 120.400 0.007 0.000 2.395 338 D HA 0.138 4.777 4.640 -0.001 0.000 0.226 338 D C 0.939 177.241 176.300 0.004 0.000 1.146 338 D CA 0.666 54.670 54.000 0.006 0.000 0.830 338 D CB -0.626 40.175 40.800 0.001 0.000 0.958 338 D HN 0.981 nan 8.370 nan 0.000 0.501 339 E N 0.461 120.667 120.200 0.011 0.000 2.413 339 E HA -0.017 4.333 4.350 -0.001 0.000 0.263 339 E C -0.362 176.248 176.600 0.017 0.000 1.015 339 E CA -0.447 55.961 56.400 0.014 0.000 0.916 339 E CB 0.327 30.045 29.700 0.031 0.000 0.947 339 E HN -0.114 nan 8.360 nan 0.000 0.440 340 N N 2.241 120.943 118.700 0.003 0.000 2.475 340 N HA -0.005 4.734 4.740 -0.001 0.000 0.267 340 N C -0.134 175.411 175.510 0.058 0.000 1.169 340 N CA 0.223 53.279 53.050 0.010 0.000 0.947 340 N CB 1.378 39.849 38.487 -0.026 0.000 1.061 340 N HN 0.660 nan 8.380 nan 0.000 0.466 341 S N 1.458 117.212 115.700 0.090 0.000 4.213 341 S HA 0.865 5.334 4.470 -0.001 0.000 0.198 341 S C 0.767 175.487 174.600 0.200 0.000 0.970 341 S CA 0.264 58.557 58.200 0.155 0.000 1.707 341 S CB 0.557 63.791 63.200 0.057 0.000 0.685 341 S HN 0.641 nan 8.310 nan 0.000 0.736 342 G N -0.556 108.359 108.800 0.193 0.000 2.470 342 G HA2 0.253 4.212 3.960 -0.001 0.000 0.145 342 G HA3 0.253 4.212 3.960 -0.001 0.000 0.145 342 G C -1.568 173.502 174.900 0.284 0.000 1.223 342 G CA -0.666 44.594 45.100 0.266 0.000 1.058 342 G HN 0.521 nan 8.290 nan 0.000 0.469 343 Y N 1.657 121.992 120.300 0.059 0.000 2.550 343 Y HA 0.502 5.052 4.550 -0.001 0.000 0.343 343 Y C 1.293 177.221 175.900 0.045 0.000 1.245 343 Y CA -0.149 57.958 58.100 0.011 0.000 1.462 343 Y CB 0.942 39.402 38.460 -0.001 0.000 1.340 343 Y HN 0.988 nan 8.280 nan 0.000 0.604 344 S N -0.298 115.490 115.700 0.147 0.000 2.588 344 S HA 0.749 5.218 4.470 -0.001 0.000 0.269 344 S C -0.956 173.693 174.600 0.082 0.000 1.157 344 S CA -0.875 57.399 58.200 0.122 0.000 0.824 344 S CB 2.124 65.347 63.200 0.039 0.000 1.126 344 S HN 0.608 nan 8.310 nan 0.000 0.464 345 S N -0.160 115.612 115.700 0.120 0.000 2.556 345 S HA 0.817 5.286 4.470 -0.001 0.000 0.271 345 S C -1.815 172.877 174.600 0.153 0.000 1.135 345 S CA -0.499 57.774 58.200 0.123 0.000 0.858 345 S CB 1.704 64.986 63.200 0.136 0.000 1.114 345 S HN 1.600 nan 8.310 nan 0.000 0.468 346 V N 4.072 124.079 119.914 0.156 0.000 2.841 346 V HA 0.897 5.016 4.120 -0.001 0.000 0.310 346 V C -1.810 174.416 176.094 0.220 0.000 1.090 346 V CA -0.622 61.787 62.300 0.182 0.000 0.930 346 V CB 1.875 33.780 31.823 0.137 0.000 1.014 346 V HN 0.937 nan 8.190 nan 0.000 0.425 347 L N 6.132 127.527 121.223 0.287 0.000 2.493 347 L HA 0.637 4.976 4.340 -0.001 0.000 0.265 347 L C -2.101 175.018 176.870 0.415 0.000 0.954 347 L CA -0.327 54.714 54.840 0.335 0.000 0.844 347 L CB 2.020 44.290 42.059 0.352 0.000 1.302 347 L HN 0.722 nan 8.230 nan 0.000 0.405 348 Y N 4.915 125.333 120.300 0.197 0.000 2.328 348 Y HA 0.662 5.211 4.550 -0.001 0.000 0.333 348 Y C -0.996 175.010 175.900 0.176 0.000 0.958 348 Y CA -0.614 57.576 58.100 0.150 0.000 1.167 348 Y CB 1.011 39.531 38.460 0.100 0.000 1.151 348 Y HN 0.710 nan 8.280 nan 0.000 0.470 349 K N 5.134 125.487 120.400 -0.078 0.000 2.535 349 K HA 0.292 4.611 4.320 -0.001 0.000 0.250 349 K C -1.154 175.369 176.600 -0.128 0.000 0.948 349 K CA -0.465 55.795 56.287 -0.044 0.000 0.796 349 K CB 1.030 33.633 32.500 0.172 0.000 1.216 349 K HN 0.687 nan 8.250 nan 0.000 0.432 350 D N 3.616 123.911 120.400 -0.175 0.000 2.708 350 D HA -0.197 4.442 4.640 -0.001 0.000 0.236 350 D C -0.366 175.822 176.300 -0.187 0.000 1.146 350 D CA 1.925 55.848 54.000 -0.128 0.000 0.662 350 D CB -0.864 39.920 40.800 -0.028 0.000 1.059 350 D HN 0.978 nan 8.370 nan 0.000 0.428 351 D N -1.192 118.953 120.400 -0.425 0.000 2.837 351 D HA -0.215 4.424 4.640 -0.001 0.000 0.230 351 D C -0.641 175.557 176.300 -0.170 0.000 1.152 351 D CA 1.227 55.017 54.000 -0.349 0.000 0.736 351 D CB -0.173 40.583 40.800 -0.074 0.000 1.084 351 D HN 0.469 nan 8.370 nan 0.000 0.429 352 K N -0.313 119.940 120.400 -0.246 0.000 2.435 352 K HA 0.641 4.960 4.320 -0.001 0.000 0.251 352 K C -0.687 175.764 176.600 -0.248 0.000 0.954 352 K CA -1.145 55.021 56.287 -0.201 0.000 0.820 352 K CB 2.346 34.700 32.500 -0.243 0.000 1.292 352 K HN 0.047 nan 8.250 nan 0.000 0.436 353 L N 2.193 123.214 121.223 -0.336 0.000 2.346 353 L HA 0.519 4.858 4.340 -0.001 0.000 0.276 353 L C -1.735 174.859 176.870 -0.461 0.000 1.006 353 L CA -0.327 54.420 54.840 -0.155 0.000 0.817 353 L CB 0.971 43.048 42.059 0.031 0.000 1.272 353 L HN 0.536 nan 8.230 nan 0.000 0.421 354 Y N 1.866 122.238 120.300 0.119 0.000 2.562 354 Y HA 0.693 5.242 4.550 -0.001 0.000 0.345 354 Y C -0.192 175.766 175.900 0.097 0.000 1.045 354 Y CA -0.812 57.319 58.100 0.052 0.000 1.028 354 Y CB 2.389 40.931 38.460 0.136 0.000 1.297 354 Y HN 0.537 nan 8.280 nan 0.000 0.463 355 S N 1.568 117.408 115.700 0.233 0.000 2.542 355 S HA 0.730 5.199 4.470 -0.001 0.000 0.293 355 S C -2.124 172.636 174.600 0.266 0.000 1.089 355 S CA -0.524 57.820 58.200 0.240 0.000 0.961 355 S CB 1.179 64.511 63.200 0.220 0.000 1.062 355 S HN 0.575 nan 8.310 nan 0.000 0.483 356 L N 5.178 126.561 121.223 0.267 0.000 2.319 356 L HA 0.737 5.076 4.340 -0.001 0.000 0.281 356 L C -0.823 176.160 176.870 0.188 0.000 1.005 356 L CA 0.054 55.023 54.840 0.215 0.000 0.828 356 L CB 1.107 43.288 42.059 0.203 0.000 1.227 356 L HN 0.982 nan 8.230 nan 0.000 0.415 357 H N 1.158 120.285 119.070 0.096 0.000 3.008 357 H HA 0.614 5.169 4.556 -0.001 0.000 0.354 357 H C -1.234 174.146 175.328 0.087 0.000 1.252 357 H CA -0.990 55.107 56.048 0.082 0.000 1.117 357 H CB 0.864 30.669 29.762 0.071 0.000 1.857 357 H HN 0.525 nan 8.280 nan 0.000 0.547 358 E N 1.067 121.430 120.200 0.272 0.000 2.383 358 E HA 0.309 4.658 4.350 -0.001 0.000 0.264 358 E C -0.105 176.676 176.600 0.302 0.000 1.050 358 E CA -0.231 56.319 56.400 0.250 0.000 0.896 358 E CB 1.115 31.001 29.700 0.310 0.000 0.982 358 E HN 0.540 nan 8.360 nan 0.000 0.424 359 I N -0.380 120.286 120.570 0.160 0.000 2.689 359 I HA 0.522 4.691 4.170 -0.001 0.000 0.299 359 I C -1.011 175.097 176.117 -0.014 0.000 1.059 359 I CA -0.906 60.454 61.300 0.100 0.000 1.055 359 I CB 2.175 40.209 38.000 0.057 0.000 1.243 359 I HN 0.399 nan 8.210 nan 0.000 0.425 360 N N 2.997 121.631 118.700 -0.110 0.000 2.430 360 N HA 0.470 5.209 4.740 -0.001 0.000 0.290 360 N C -1.614 173.784 175.510 -0.187 0.000 1.063 360 N CA -0.264 52.577 53.050 -0.347 0.000 0.883 360 N CB 2.120 40.309 38.487 -0.496 0.000 1.465 360 N HN 0.765 nan 8.380 nan 0.000 0.493 361 T N 2.765 117.220 114.554 -0.165 0.000 2.840 361 T HA 0.320 4.669 4.350 -0.001 0.000 0.287 361 T C -0.208 174.452 174.700 -0.068 0.000 0.991 361 T CA -0.484 61.566 62.100 -0.083 0.000 0.964 361 T CB 0.820 69.659 68.868 -0.049 0.000 0.954 361 T HN 0.678 nan 8.240 nan 0.000 0.438 362 N N 2.986 121.676 118.700 -0.016 0.000 2.735 362 N HA -0.158 4.581 4.740 -0.001 0.000 0.248 362 N C -0.456 175.090 175.510 0.060 0.000 1.083 362 N CA 1.018 54.090 53.050 0.037 0.000 0.703 362 N CB -0.968 37.538 38.487 0.031 0.000 1.005 362 N HN 0.850 nan 8.380 nan 0.000 0.550 363 D N -2.351 118.065 120.400 0.027 0.000 2.751 363 D HA -0.166 4.473 4.640 -0.001 0.000 0.233 363 D C -0.349 176.057 176.300 0.176 0.000 1.149 363 D CA 0.979 55.021 54.000 0.069 0.000 0.682 363 D CB -1.368 39.580 40.800 0.246 0.000 1.068 363 D HN 0.354 nan 8.370 nan 0.000 0.429 364 V N 0.495 120.400 119.914 -0.016 0.000 2.448 364 V HA 0.460 4.579 4.120 -0.001 0.000 0.295 364 V C -0.142 175.911 176.094 -0.068 0.000 1.025 364 V CA -0.826 61.496 62.300 0.037 0.000 0.859 364 V CB 1.418 33.161 31.823 -0.134 0.000 0.988 364 V HN -0.033 nan 8.190 nan 0.000 0.431 365 Y N 1.762 122.084 120.300 0.037 0.000 2.341 365 Y HA 0.670 5.219 4.550 -0.001 0.000 0.338 365 Y C 0.632 176.590 175.900 0.097 0.000 0.965 365 Y CA -0.365 57.771 58.100 0.061 0.000 1.108 365 Y CB 2.241 40.729 38.460 0.047 0.000 1.180 365 Y HN 0.625 nan 8.280 nan 0.000 0.458 366 S N 3.001 118.826 115.700 0.208 0.000 2.739 366 S HA 0.718 5.188 4.470 -0.001 0.000 0.306 366 S C -0.993 173.688 174.600 0.136 0.000 1.115 366 S CA -0.931 57.388 58.200 0.199 0.000 0.985 366 S CB 1.180 64.445 63.200 0.109 0.000 1.133 366 S HN 0.456 nan 8.310 nan 0.000 0.541 367 L N 2.168 123.443 121.223 0.087 0.000 2.343 367 L HA 0.533 4.872 4.340 -0.001 0.000 0.278 367 L C -0.449 176.419 176.870 -0.004 0.000 0.996 367 L CA -0.973 53.868 54.840 0.001 0.000 0.831 367 L CB 1.436 43.422 42.059 -0.122 0.000 1.232 367 L HN 0.467 nan 8.230 nan 0.000 0.413 368 V N 0.098 119.933 119.914 -0.132 0.000 2.567 368 V HA 0.468 4.587 4.120 -0.001 0.000 0.289 368 V C -0.655 175.432 176.094 -0.012 0.000 1.049 368 V CA -0.457 61.775 62.300 -0.114 0.000 0.969 368 V CB 1.531 33.223 31.823 -0.218 0.000 0.995 368 V HN 0.538 nan 8.190 nan 0.000 0.471 369 F N 5.185 125.098 119.950 -0.061 0.000 2.388 369 F HA 0.763 5.290 4.527 -0.001 0.000 0.358 369 F C -0.499 175.359 175.800 0.097 0.000 1.122 369 F CA -0.974 57.044 58.000 0.028 0.000 1.056 369 F CB 1.322 40.326 39.000 0.005 0.000 1.155 369 F HN 0.465 nan 8.300 nan 0.000 0.461 370 V N 7.084 126.776 119.914 -0.370 0.000 2.448 370 V HA 0.479 4.598 4.120 -0.001 0.000 0.295 370 V C -0.253 175.673 176.094 -0.280 0.000 1.025 370 V CA -0.944 61.223 62.300 -0.222 0.000 0.859 370 V CB 1.816 33.635 31.823 -0.007 0.000 0.988 370 V HN 0.581 nan 8.190 nan 0.000 0.431 371 R N 4.810 125.181 120.500 -0.215 0.000 2.235 371 R HA 0.436 4.776 4.340 -0.001 0.000 0.338 371 R C -0.594 175.630 176.300 -0.125 0.000 1.087 371 R CA -0.323 55.689 56.100 -0.147 0.000 0.948 371 R CB 0.547 30.808 30.300 -0.064 0.000 1.099 371 R HN 0.616 nan 8.270 nan 0.000 0.483 372 L N 5.246 126.378 121.223 -0.150 0.000 2.423 372 L HA 0.148 4.487 4.340 -0.001 0.000 0.249 372 L C 1.208 178.023 176.870 -0.092 0.000 1.276 372 L CA -0.026 54.758 54.840 -0.094 0.000 1.199 372 L CB -0.081 41.940 42.059 -0.063 0.000 1.407 372 L HN 0.686 nan 8.230 nan 0.000 0.410 373 I N 0.517 121.041 120.570 -0.077 0.000 2.235 373 I HA -0.106 4.063 4.170 -0.001 0.000 0.241 373 I C 2.487 178.581 176.117 -0.037 0.000 1.085 373 I CA 1.407 62.672 61.300 -0.058 0.000 1.378 373 I CB -0.186 37.788 38.000 -0.044 0.000 1.076 373 I HN 0.589 nan 8.210 nan 0.000 0.415 374 G N 0.186 108.968 108.800 -0.032 0.000 2.408 374 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 374 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 374 G C 1.455 176.343 174.900 -0.020 0.000 1.150 374 G CA 0.585 45.671 45.100 -0.023 0.000 0.776 374 G HN 0.306 nan 8.290 nan 0.000 0.542 375 E N -0.088 120.096 120.200 -0.026 0.000 2.051 375 E HA -0.076 4.273 4.350 -0.001 0.000 0.192 375 E C 2.283 178.875 176.600 -0.014 0.000 0.991 375 E CA 0.553 56.944 56.400 -0.016 0.000 0.799 375 E CB -0.370 29.313 29.700 -0.029 0.000 0.748 375 E HN 0.333 nan 8.360 nan 0.000 0.449 376 L N 1.024 122.231 121.223 -0.027 0.000 2.083 376 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 376 L C 2.271 179.120 176.870 -0.034 0.000 1.083 376 L CA 1.867 56.690 54.840 -0.029 0.000 0.752 376 L CB -0.516 41.540 42.059 -0.005 0.000 0.899 376 L HN 0.163 nan 8.230 nan 0.000 0.433 377 Q N -1.068 118.716 119.800 -0.028 0.000 2.084 377 Q HA -0.246 4.094 4.340 -0.001 0.000 0.202 377 Q C 2.248 178.218 176.000 -0.050 0.000 0.978 377 Q CA 2.083 57.867 55.803 -0.032 0.000 0.844 377 Q CB -0.251 28.474 28.738 -0.022 0.000 0.898 377 Q HN 0.524 nan 8.270 nan 0.000 0.426 378 L N 0.240 121.442 121.223 -0.035 0.000 2.056 378 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 378 L C 2.155 178.943 176.870 -0.137 0.000 1.078 378 L CA 1.644 56.459 54.840 -0.042 0.000 0.749 378 L CB -0.298 41.794 42.059 0.055 0.000 0.901 378 L HN 0.303 nan 8.230 nan 0.000 0.433 379 M N -0.833 118.705 119.600 -0.103 0.000 2.086 379 M HA -0.235 4.244 4.480 -0.001 0.000 0.261 379 M C 2.229 178.378 176.300 -0.253 0.000 1.067 379 M CA 1.836 57.029 55.300 -0.178 0.000 1.116 379 M CB -0.379 32.163 32.600 -0.096 0.000 1.348 379 M HN 0.121 nan 8.290 nan 0.000 0.407 380 K N -0.405 119.895 120.400 -0.167 0.000 2.032 380 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 380 K C 2.284 178.777 176.600 -0.178 0.000 1.048 380 K CA 1.779 57.980 56.287 -0.144 0.000 0.927 380 K CB -0.440 32.016 32.500 -0.074 0.000 0.712 380 K HN 0.233 nan 8.250 nan 0.000 0.441 381 S N 0.648 116.239 115.700 -0.182 0.000 2.365 381 S HA -0.149 4.320 4.470 -0.001 0.000 0.225 381 S C 2.040 176.457 174.600 -0.306 0.000 1.039 381 S CA 1.464 59.549 58.200 -0.192 0.000 1.033 381 S CB -0.233 62.871 63.200 -0.160 0.000 0.887 381 S HN 0.107 nan 8.310 nan 0.000 0.447 382 V N 1.441 121.056 119.914 -0.499 0.000 2.295 382 V HA -0.134 3.985 4.120 -0.001 0.000 0.246 382 V C 2.507 178.025 176.094 -0.959 0.000 1.049 382 V CA 1.866 63.661 62.300 -0.842 0.000 1.024 382 V CB -0.779 30.237 31.823 -1.345 0.000 0.648 382 V HN 0.444 nan 8.190 nan 0.000 0.447 383 V N -0.154 119.319 119.914 -0.736 0.000 2.324 383 V HA -0.315 3.804 4.120 -0.001 0.000 0.250 383 V C 2.596 178.608 176.094 -0.137 0.000 1.060 383 V CA 2.222 64.282 62.300 -0.399 0.000 1.042 383 V CB -0.839 30.866 31.823 -0.197 0.000 0.650 383 V HN 0.471 nan 8.190 nan 0.000 0.450 384 R N -0.373 120.042 120.500 -0.143 0.000 2.073 384 R HA -0.148 4.191 4.340 -0.001 0.000 0.234 384 R C 2.451 178.738 176.300 -0.022 0.000 1.134 384 R CA 1.986 58.055 56.100 -0.053 0.000 0.952 384 R CB -0.777 29.486 30.300 -0.061 0.000 0.850 384 R HN 0.548 nan 8.270 nan 0.000 0.433 385 T N 0.154 114.656 114.554 -0.088 0.000 2.635 385 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 385 T C 1.366 176.158 174.700 0.153 0.000 1.040 385 T CA 1.448 63.531 62.100 -0.029 0.000 1.156 385 T CB -0.263 68.546 68.868 -0.098 0.000 0.863 385 T HN 0.345 nan 8.240 nan 0.000 0.430 386 W N 1.861 123.202 121.300 0.069 0.000 2.335 386 W HA -0.000 4.659 4.660 -0.002 0.000 0.311 386 W C 2.309 178.939 176.519 0.186 0.000 1.213 386 W CA 0.521 57.997 57.345 0.219 0.000 1.274 386 W CB -0.992 28.603 29.460 0.224 0.000 1.148 386 W HN 0.337 nan 8.180 nan 0.000 0.498 387 K N -0.054 120.540 120.400 0.324 0.000 2.097 387 K HA -0.140 4.179 4.320 -0.001 0.000 0.205 387 K C 1.851 178.553 176.600 0.169 0.000 1.050 387 K CA 1.497 57.912 56.287 0.214 0.000 0.938 387 K CB -0.321 32.266 32.500 0.144 0.000 0.718 387 K HN 0.156 nan 8.250 nan 0.000 0.442 388 E N 0.693 120.975 120.200 0.137 0.000 2.028 388 E HA -0.224 4.125 4.350 -0.001 0.000 0.191 388 E C 2.063 178.745 176.600 0.137 0.000 0.988 388 E CA 1.210 57.673 56.400 0.105 0.000 0.799 388 E CB 0.045 29.775 29.700 0.051 0.000 0.755 388 E HN 0.195 nan 8.360 nan 0.000 0.447 389 E N 1.222 121.495 120.200 0.122 0.000 2.077 389 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 389 E C 1.494 178.239 176.600 0.242 0.000 0.989 389 E CA 1.471 57.953 56.400 0.137 0.000 0.800 389 E CB -0.076 29.582 29.700 -0.071 0.000 0.746 389 E HN 0.116 nan 8.360 nan 0.000 0.452 390 D N -0.044 120.520 120.400 0.273 0.000 2.097 390 D HA -0.126 4.513 4.640 -0.001 0.000 0.195 390 D C 1.561 177.949 176.300 0.147 0.000 0.989 390 D CA 1.003 55.136 54.000 0.222 0.000 0.827 390 D CB -0.386 40.538 40.800 0.206 0.000 0.966 390 D HN 0.195 nan 8.370 nan 0.000 0.456 391 N N -0.062 118.725 118.700 0.145 0.000 2.084 391 N HA -0.172 4.567 4.740 -0.001 0.000 0.190 391 N C 1.730 177.305 175.510 0.108 0.000 1.030 391 N CA 0.974 54.088 53.050 0.106 0.000 0.849 391 N CB -0.709 37.838 38.487 0.100 0.000 1.012 391 N HN 0.400 nan 8.380 nan 0.000 0.423 392 H N 1.242 120.347 119.070 0.058 0.000 2.265 392 H HA -0.000 4.555 4.556 -0.001 0.000 0.295 392 H C 2.125 177.481 175.328 0.047 0.000 1.084 392 H CA 1.753 57.830 56.048 0.050 0.000 1.261 392 H CB -0.498 29.297 29.762 0.055 0.000 1.360 392 H HN 0.080 nan 8.280 nan 0.000 0.487 393 L N -0.271 120.950 121.223 -0.004 0.000 2.042 393 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 393 L C 2.789 179.609 176.870 -0.082 0.000 1.076 393 L CA 1.170 55.967 54.840 -0.071 0.000 0.749 393 L CB -0.724 41.356 42.059 0.035 0.000 0.893 393 L HN 0.485 nan 8.230 nan 0.000 0.432 394 A N -1.412 121.392 122.820 -0.027 0.000 2.119 394 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 394 A C 2.275 179.833 177.584 -0.044 0.000 1.153 394 A CA 1.410 53.433 52.037 -0.022 0.000 0.692 394 A CB -0.238 18.766 19.000 0.007 0.000 0.799 394 A HN 0.363 nan 8.150 nan 0.000 0.458 395 S N -0.584 115.074 115.700 -0.071 0.000 2.556 395 S HA 0.287 4.757 4.470 -0.001 0.000 0.216 395 S C 0.471 175.007 174.600 -0.107 0.000 0.970 395 S CA -0.398 57.760 58.200 -0.070 0.000 0.912 395 S CB -0.206 62.964 63.200 -0.051 0.000 0.790 395 S HN 0.490 nan 8.310 nan 0.000 0.504 396 I N 1.555 122.034 120.570 -0.152 0.000 2.618 396 I HA 0.021 4.190 4.170 -0.001 0.000 0.284 396 I C 0.436 176.503 176.117 -0.083 0.000 1.146 396 I CA -0.281 60.936 61.300 -0.138 0.000 1.425 396 I CB 0.439 38.347 38.000 -0.153 0.000 1.383 396 I HN 0.152 nan 8.210 nan 0.000 0.562 397 c N 7.226 125.787 118.600 -0.066 0.000 2.442 397 c HA 0.310 4.879 4.570 -0.001 0.000 0.362 397 c C 0.982 175.039 174.090 -0.055 0.000 1.242 397 c CA -0.540 55.758 56.329 -0.051 0.000 1.741 397 c CB -1.177 41.309 42.510 -0.040 0.000 2.378 397 c HN 0.842 nan 8.230 nan 0.000 0.549 398 T N 5.197 119.718 114.554 -0.056 0.000 2.889 398 T HA 0.422 4.772 4.350 -0.001 0.000 0.291 398 T C -2.630 172.034 174.700 -0.060 0.000 0.995 398 T CA -1.626 60.435 62.100 -0.064 0.000 1.092 398 T CB 1.013 69.841 68.868 -0.067 0.000 0.954 398 T HN 0.507 nan 8.240 nan 0.000 0.506 399 P HA 0.075 nan 4.420 nan 0.000 0.260 399 P C 0.602 177.870 177.300 -0.053 0.000 1.172 399 P CA -0.288 62.773 63.100 -0.065 0.000 0.760 399 P CB 0.131 31.778 31.700 -0.089 0.000 0.773 409 G N 0.748 109.539 108.800 -0.015 0.000 2.444 409 G HA2 0.290 4.249 3.960 -0.001 0.000 0.289 409 G HA3 0.290 4.249 3.960 -0.001 0.000 0.289 409 G C 0.671 175.562 174.900 -0.014 0.000 0.814 409 G CA 0.984 46.075 45.100 -0.014 0.000 1.820 409 G HN 0.526 nan 8.290 nan 0.000 0.453 410 G N 0.168 108.958 108.800 -0.017 0.000 2.398 410 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.221 410 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.221 410 G C 0.090 174.977 174.900 -0.021 0.000 1.112 410 G CA -0.359 44.731 45.100 -0.017 0.000 0.823 410 G HN 0.821 nan 8.290 nan 0.000 0.487 411 c N 0.047 118.633 118.600 -0.024 0.000 2.325 411 c HA 0.951 5.520 4.570 -0.001 0.000 0.370 411 c C 1.660 175.732 174.090 -0.031 0.000 1.217 411 c CA 0.064 56.376 56.329 -0.030 0.000 2.254 411 c CB 0.973 43.464 42.510 -0.033 0.000 2.282 411 c HN 0.852 nan 8.230 nan 0.000 0.564 412 G N 0.104 108.882 108.800 -0.036 0.000 2.653 412 G HA2 0.485 4.444 3.960 -0.001 0.000 0.265 412 G HA3 0.485 4.444 3.960 -0.001 0.000 0.265 412 G C 0.137 175.014 174.900 -0.037 0.000 1.237 412 G CA 0.135 45.213 45.100 -0.037 0.000 0.946 412 G HN 1.273 nan 8.290 nan 0.000 0.522 413 A N -0.740 122.057 122.820 -0.038 0.000 2.586 413 A HA 0.478 4.797 4.320 -0.001 0.000 0.231 413 A C 1.148 178.706 177.584 -0.043 0.000 1.055 413 A CA 0.562 52.575 52.037 -0.039 0.000 0.756 413 A CB -0.433 18.541 19.000 -0.043 0.000 0.988 413 A HN 1.952 nan 8.150 nan 0.000 0.509 414 A N 1.622 124.418 122.820 -0.039 0.000 2.466 414 A HA 0.443 4.762 4.320 -0.001 0.000 0.238 414 A C 0.475 178.034 177.584 -0.041 0.000 1.074 414 A CA -0.244 51.769 52.037 -0.039 0.000 0.774 414 A CB -0.167 18.814 19.000 -0.031 0.000 1.015 414 A HN 1.334 nan 8.150 nan 0.000 0.498 415 V N 4.562 124.452 119.914 -0.040 0.000 2.509 415 V HA 0.079 4.198 4.120 -0.001 0.000 0.297 415 V C -1.670 174.419 176.094 -0.008 0.000 1.014 415 V CA -0.518 61.764 62.300 -0.029 0.000 1.127 415 V CB 0.055 31.859 31.823 -0.033 0.000 0.925 415 V HN 0.810 nan 8.190 nan 0.000 0.480 416 P HA 0.101 nan 4.420 nan 0.000 0.267 416 P C 0.537 177.920 177.300 0.139 0.000 1.209 416 P CA 0.195 63.301 63.100 0.011 0.000 0.763 416 P CB 0.747 32.375 31.700 -0.120 0.000 0.816 417 T N -1.063 113.550 114.554 0.097 0.000 2.958 417 T HA 0.309 4.659 4.350 -0.001 0.000 0.256 417 T C 0.835 175.556 174.700 0.035 0.000 0.983 417 T CA -0.033 62.109 62.100 0.071 0.000 0.924 417 T CB -0.022 68.868 68.868 0.038 0.000 1.136 417 T HN 0.412 nan 8.240 nan 0.000 0.506 418 A N 1.097 123.941 122.820 0.040 0.000 2.451 418 A HA 0.587 4.906 4.320 -0.001 0.000 0.266 418 A C 1.655 179.260 177.584 0.035 0.000 1.119 418 A CA 0.289 52.330 52.037 0.008 0.000 0.786 418 A CB -1.070 17.927 19.000 -0.004 0.000 1.061 418 A HN 1.518 nan 8.150 nan 0.000 0.503 419 G N 1.466 110.239 108.800 -0.045 0.000 2.159 419 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.256 419 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.256 419 G C 0.221 175.022 174.900 -0.165 0.000 0.977 419 G CA 0.290 45.339 45.100 -0.085 0.000 0.652 419 G HN 1.033 nan 8.290 nan 0.000 0.531 420 L N 1.351 122.404 121.223 -0.283 0.000 2.456 420 L HA 0.374 4.713 4.340 -0.001 0.000 0.277 420 L C 1.733 178.188 176.870 -0.693 0.000 1.124 420 L CA -0.335 54.076 54.840 -0.715 0.000 0.880 420 L CB 0.976 42.651 42.059 -0.639 0.000 1.192 420 L HN 0.007 nan 8.230 nan 0.000 0.463 421 V N 4.345 123.878 119.914 -0.634 0.000 2.575 421 V HA 0.278 4.398 4.120 -0.001 0.000 0.242 421 V C 0.988 176.886 176.094 -0.325 0.000 1.045 421 V CA 0.988 62.988 62.300 -0.500 0.000 1.065 421 V CB 0.301 31.843 31.823 -0.469 0.000 0.717 421 V HN 0.872 nan 8.190 nan 0.000 0.467 422 G N -1.487 107.204 108.800 -0.181 0.000 2.698 422 G HA2 0.604 4.563 3.960 -0.001 0.000 0.293 422 G HA3 0.604 4.563 3.960 -0.001 0.000 0.293 422 G C -2.004 173.205 174.900 0.516 0.000 1.437 422 G CA -0.387 44.898 45.100 0.310 0.000 0.852 422 G HN -0.012 nan 8.290 nan 0.000 0.499 423 F N 0.952 121.149 119.950 0.411 0.000 2.670 423 F HA 0.534 5.059 4.527 -0.002 0.000 0.332 423 F C -1.556 174.209 175.800 -0.060 0.000 1.179 423 F CA -1.100 57.000 58.000 0.167 0.000 1.076 423 F CB 1.406 40.548 39.000 0.237 0.000 1.322 423 F HN 0.364 nan 8.300 nan 0.000 0.515 424 L N 6.037 126.994 121.223 -0.443 0.000 2.325 424 L HA 0.560 4.899 4.340 -0.001 0.000 0.281 424 L C -0.127 176.307 176.870 -0.726 0.000 1.004 424 L CA -0.210 54.071 54.840 -0.932 0.000 0.823 424 L CB 1.596 42.523 42.059 -1.887 0.000 1.236 424 L HN 0.637 nan 8.230 nan 0.000 0.415 425 S N -0.063 115.373 115.700 -0.441 0.000 4.228 425 S HA 0.178 4.647 4.470 -0.001 0.000 0.207 425 S C 0.942 175.648 174.600 0.176 0.000 1.152 425 S CA 0.005 58.079 58.200 -0.211 0.000 1.645 425 S CB 0.200 62.982 63.200 -0.697 0.000 1.307 425 S HN 0.813 nan 8.310 nan 0.000 0.761 426 H N 1.882 120.943 119.070 -0.016 0.000 2.284 426 H HA 0.299 4.855 4.556 -0.001 0.000 0.304 426 H C 1.012 176.353 175.328 0.021 0.000 1.069 426 H CA 1.892 57.943 56.048 0.005 0.000 1.327 426 H CB -0.596 29.151 29.762 -0.024 0.000 1.387 426 H HN 0.313 nan 8.280 nan 0.000 0.498 427 S N 0.367 116.090 115.700 0.039 0.000 2.555 427 S HA 0.379 4.848 4.470 -0.001 0.000 0.293 427 S C -0.366 174.248 174.600 0.023 0.000 1.248 427 S CA 0.111 58.310 58.200 -0.002 0.000 1.096 427 S CB -0.662 62.562 63.200 0.041 0.000 0.881 427 S HN 0.634 nan 8.310 nan 0.000 0.498 428 A N 4.407 127.170 122.820 -0.095 0.000 2.606 428 A HA 0.697 5.016 4.320 -0.001 0.000 0.293 428 A C -0.271 177.253 177.584 -0.100 0.000 1.082 428 A CA -0.765 51.217 52.037 -0.092 0.000 0.685 428 A CB 0.997 19.822 19.000 -0.292 0.000 1.284 428 A HN 0.962 nan 8.150 nan 0.000 0.408 429 N N -0.496 118.168 118.700 -0.060 0.000 3.357 429 N HA 0.567 5.306 4.740 -0.001 0.000 0.359 429 N C 1.212 176.688 175.510 -0.057 0.000 1.477 429 N CA -0.265 52.753 53.050 -0.052 0.000 0.645 429 N CB 0.165 38.642 38.487 -0.017 0.000 1.703 429 N HN 0.690 nan 8.380 nan 0.000 0.597 430 G N 0.102 108.884 108.800 -0.031 0.000 2.639 430 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.216 430 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.216 430 G C 1.157 176.053 174.900 -0.007 0.000 1.267 430 G CA 1.826 46.913 45.100 -0.022 0.000 0.801 430 G HN 0.676 nan 8.290 nan 0.000 0.592 431 S N -1.360 114.349 115.700 0.015 0.000 2.578 431 S HA 0.541 5.010 4.470 -0.001 0.000 0.231 431 S C -0.134 174.506 174.600 0.066 0.000 0.994 431 S CA -0.439 57.783 58.200 0.037 0.000 0.956 431 S CB 0.852 64.072 63.200 0.034 0.000 0.870 431 S HN 0.152 nan 8.310 nan 0.000 0.494 432 V N 2.025 121.980 119.914 0.069 0.000 2.588 432 V HA 0.503 4.622 4.120 -0.001 0.000 0.304 432 V C -1.470 174.722 176.094 0.163 0.000 1.042 432 V CA -0.702 61.667 62.300 0.115 0.000 0.877 432 V CB 1.691 33.570 31.823 0.094 0.000 0.996 432 V HN 0.561 nan 8.190 nan 0.000 0.425 433 W N 4.219 125.505 121.300 -0.024 0.000 2.318 433 W HA 0.546 5.205 4.660 -0.002 0.000 0.315 433 W C 0.040 176.515 176.519 -0.072 0.000 1.033 433 W CA -1.414 55.889 57.345 -0.071 0.000 1.275 433 W CB 1.049 30.448 29.460 -0.102 0.000 1.250 433 W HN 0.647 nan 8.180 nan 0.000 0.421 434 E N 3.029 123.374 120.200 0.242 0.000 2.316 434 E HA -0.025 4.324 4.350 -0.001 0.000 0.275 434 E C -0.321 176.291 176.600 0.021 0.000 1.029 434 E CA -0.111 56.358 56.400 0.115 0.000 0.871 434 E CB 0.908 30.672 29.700 0.107 0.000 1.022 434 E HN 0.180 nan 8.360 nan 0.000 0.418 435 D N 2.721 123.185 120.400 0.105 0.000 2.417 435 D HA -0.042 4.597 4.640 -0.001 0.000 0.250 435 D C 0.732 177.132 176.300 0.166 0.000 1.166 435 D CA -0.050 54.067 54.000 0.194 0.000 0.881 435 D CB 1.320 42.358 40.800 0.396 0.000 1.164 435 D HN 0.137 nan 8.370 nan 0.000 0.467 436 V N 4.333 124.310 119.914 0.105 0.000 2.490 436 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 436 V C 1.271 177.350 176.094 -0.024 0.000 1.061 436 V CA 1.474 63.773 62.300 -0.001 0.000 1.064 436 V CB -0.812 30.983 31.823 -0.047 0.000 0.670 436 V HN 0.643 nan 8.190 nan 0.000 0.461 437 Y N -0.331 120.155 120.300 0.309 0.000 2.471 437 Y HA 0.227 4.776 4.550 -0.002 0.000 0.286 437 Y C 1.410 177.622 175.900 0.520 0.000 1.188 437 Y CA -0.158 58.195 58.100 0.423 0.000 1.286 437 Y CB -0.203 38.420 38.460 0.273 0.000 1.072 437 Y HN 0.187 nan 8.280 nan 0.000 0.517 438 R N -2.785 117.981 120.500 0.444 0.000 3.875 438 R HA -0.264 4.075 4.340 -0.001 0.000 0.321 438 R C 0.476 177.112 176.300 0.560 0.000 1.196 438 R CA 0.744 57.085 56.100 0.402 0.000 0.868 438 R CB -2.571 27.874 30.300 0.242 0.000 1.333 438 R HN 0.442 nan 8.270 nan 0.000 0.522 439 C N -1.571 118.061 119.300 0.553 0.000 2.341 439 C HA 0.264 4.723 4.460 -0.001 0.000 0.372 439 C C 0.788 175.961 174.990 0.304 0.000 1.430 439 C CA 0.228 59.553 59.018 0.511 0.000 2.316 439 C CB 0.792 28.844 27.740 0.520 0.000 2.416 439 C HN 0.223 nan 8.230 nan 0.000 0.583 440 V N 2.739 122.834 119.914 0.302 0.000 2.447 440 V HA 0.374 4.493 4.120 -0.001 0.000 0.292 440 V C -1.470 174.889 176.094 0.441 0.000 1.021 440 V CA -0.320 62.103 62.300 0.205 0.000 0.850 440 V CB 1.294 32.987 31.823 -0.217 0.000 1.005 440 V HN 0.331 nan 8.190 nan 0.000 0.426 441 D N 2.950 123.534 120.400 0.307 0.000 2.312 441 D HA 0.668 5.307 4.640 -0.001 0.000 0.248 441 D C 0.309 176.758 176.300 0.248 0.000 1.086 441 D CA 0.048 54.196 54.000 0.245 0.000 0.948 441 D CB 2.101 43.007 40.800 0.176 0.000 1.162 441 D HN 0.696 nan 8.370 nan 0.000 0.446 442 A N 1.609 124.468 122.820 0.064 0.000 2.293 442 A HA 0.414 4.734 4.320 -0.001 0.000 0.302 442 A C 0.007 177.703 177.584 0.186 0.000 1.119 442 A CA -0.686 51.414 52.037 0.105 0.000 0.823 442 A CB 0.492 19.419 19.000 -0.121 0.000 1.097 442 A HN 0.475 nan 8.150 nan 0.000 0.491 443 N N 0.315 119.126 118.700 0.184 0.000 2.443 443 N HA 0.503 5.242 4.740 -0.001 0.000 0.295 443 N C -1.256 174.344 175.510 0.151 0.000 1.076 443 N CA -0.224 52.913 53.050 0.145 0.000 0.919 443 N CB 1.994 40.541 38.487 0.100 0.000 1.176 443 N HN 0.309 nan 8.380 nan 0.000 0.487 444 V N 0.715 120.706 119.914 0.128 0.000 2.735 444 V HA 0.798 4.918 4.120 -0.001 0.000 0.310 444 V C -0.513 175.630 176.094 0.082 0.000 1.061 444 V CA -0.667 61.711 62.300 0.130 0.000 0.913 444 V CB 1.728 33.625 31.823 0.123 0.000 1.005 444 V HN 0.850 nan 8.190 nan 0.000 0.428 445 A N 3.128 125.996 122.820 0.080 0.000 2.475 445 A HA 0.735 5.054 4.320 -0.001 0.000 0.301 445 A C 0.059 177.705 177.584 0.104 0.000 1.059 445 A CA -0.610 51.465 52.037 0.063 0.000 0.710 445 A CB 1.109 20.128 19.000 0.032 0.000 1.288 445 A HN 0.886 nan 8.150 nan 0.000 0.408 446 N N -0.864 117.885 118.700 0.082 0.000 2.705 446 N HA -0.170 4.569 4.740 -0.001 0.000 0.255 446 N C -0.183 175.418 175.510 0.153 0.000 1.008 446 N CA 1.331 54.438 53.050 0.095 0.000 0.742 446 N CB -0.838 37.702 38.487 0.088 0.000 0.906 446 N HN 1.410 nan 8.380 nan 0.000 0.541 447 A N 0.131 123.008 122.820 0.095 0.000 2.423 447 A HA 0.735 5.054 4.320 -0.001 0.000 0.304 447 A C -0.196 177.320 177.584 -0.113 0.000 1.104 447 A CA -0.671 51.374 52.037 0.013 0.000 0.757 447 A CB 2.135 21.167 19.000 0.054 0.000 1.313 447 A HN 0.272 nan 8.150 nan 0.000 0.423 448 E N 1.387 121.458 120.200 -0.215 0.000 2.272 448 E HA 0.439 4.788 4.350 -0.001 0.000 0.269 448 E C -0.896 175.541 176.600 -0.271 0.000 0.877 448 E CA -0.731 55.553 56.400 -0.193 0.000 0.755 448 E CB 1.355 30.972 29.700 -0.138 0.000 1.192 448 E HN 0.648 nan 8.360 nan 0.000 0.422 449 R N 1.519 121.876 120.500 -0.239 0.000 2.491 449 R HA 0.303 4.642 4.340 -0.001 0.000 0.283 449 R C 0.024 176.191 176.300 -0.221 0.000 1.072 449 R CA -0.109 55.821 56.100 -0.282 0.000 1.048 449 R CB 0.997 31.145 30.300 -0.253 0.000 0.983 449 R HN 0.447 nan 8.270 nan 0.000 0.450 450 V N 0.154 119.932 119.914 -0.226 0.000 3.159 450 V HA 0.517 4.636 4.120 -0.001 0.000 0.308 450 V C -2.700 173.370 176.094 -0.039 0.000 1.190 450 V CA -3.123 59.108 62.300 -0.116 0.000 1.037 450 V CB 2.003 33.757 31.823 -0.116 0.000 1.060 450 V HN 0.547 nan 8.190 nan 0.000 0.437 451 P HA 0.270 nan 4.420 nan 0.000 0.262 451 P C -0.077 177.339 177.300 0.193 0.000 1.199 451 P CA 0.767 63.999 63.100 0.220 0.000 0.763 451 P CB -0.068 31.694 31.700 0.104 0.000 0.790 452 N N 1.359 120.281 118.700 0.370 0.000 2.850 452 N HA -0.145 4.594 4.740 -0.001 0.000 0.249 452 N C 0.519 176.139 175.510 0.184 0.000 1.060 452 N CA 1.704 54.896 53.050 0.237 0.000 0.825 452 N CB -1.500 37.091 38.487 0.174 0.000 1.132 452 N HN 0.702 nan 8.380 nan 0.000 0.564 453 G N -1.206 107.615 108.800 0.036 0.000 2.452 453 G HA2 0.516 4.475 3.960 -0.001 0.000 0.224 453 G HA3 0.516 4.475 3.960 -0.001 0.000 0.224 453 G C -1.911 172.693 174.900 -0.494 0.000 1.208 453 G CA -0.540 44.513 45.100 -0.078 0.000 0.946 453 G HN 0.119 nan 8.290 nan 0.000 0.481 454 L N 0.192 121.020 121.223 -0.659 0.000 2.445 454 L HA 0.632 4.971 4.340 -0.001 0.000 0.262 454 L C -0.614 175.688 176.870 -0.946 0.000 0.974 454 L CA -0.851 53.463 54.840 -0.876 0.000 0.822 454 L CB 2.738 44.064 42.059 -1.222 0.000 1.339 454 L HN 0.662 nan 8.230 nan 0.000 0.409 455 K N 2.161 122.089 120.400 -0.786 0.000 2.307 455 K HA 0.596 4.915 4.320 -0.001 0.000 0.263 455 K C -1.551 174.673 176.600 -0.627 0.000 0.973 455 K CA -0.307 55.614 56.287 -0.610 0.000 0.846 455 K CB 0.895 33.225 32.500 -0.284 0.000 1.100 455 K HN 0.316 nan 8.250 nan 0.000 0.438 456 F N 3.070 123.000 119.950 -0.032 0.000 2.404 456 F HA 0.380 4.906 4.527 -0.001 0.000 0.339 456 F C 0.552 176.358 175.800 0.010 0.000 1.105 456 F CA -0.821 57.172 58.000 -0.012 0.000 1.087 456 F CB 1.369 40.382 39.000 0.021 0.000 1.143 456 F HN 0.509 nan 8.300 nan 0.000 0.491 457 N N 2.046 120.855 118.700 0.182 0.000 2.578 457 N HA 0.541 5.280 4.740 -0.001 0.000 0.282 457 N C -0.714 174.855 175.510 0.099 0.000 1.119 457 N CA 0.119 53.241 53.050 0.120 0.000 0.948 457 N CB 1.868 40.396 38.487 0.067 0.000 1.546 457 N HN 0.947 nan 8.380 nan 0.000 0.525 458 G N 0.494 109.349 108.800 0.090 0.000 2.354 458 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.582 458 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.582 458 G C -1.476 173.459 174.900 0.058 0.000 1.316 458 G CA -0.574 44.563 45.100 0.063 0.000 0.995 458 G HN 0.432 nan 8.290 nan 0.000 0.573 459 V N 1.534 121.471 119.914 0.038 0.000 2.529 459 V HA 0.417 4.536 4.120 -0.001 0.000 0.292 459 V C 1.899 178.004 176.094 0.018 0.000 1.028 459 V CA 2.198 64.513 62.300 0.025 0.000 1.074 459 V CB 0.601 32.433 31.823 0.015 0.000 0.958 459 V HN 2.760 nan 8.190 nan 0.000 0.481 460 G N 4.064 112.867 108.800 0.005 0.000 2.166 460 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.260 460 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.260 460 G C 0.606 175.493 174.900 -0.022 0.000 0.986 460 G CA -0.007 45.086 45.100 -0.013 0.000 0.683 460 G HN 1.445 nan 8.290 nan 0.000 0.527 461 G N -0.150 108.655 108.800 0.009 0.000 2.254 461 G HA2 0.663 4.622 3.960 -0.001 0.000 0.253 461 G HA3 0.663 4.622 3.960 -0.001 0.000 0.253 461 G C 0.698 175.417 174.900 -0.301 0.000 1.246 461 G CA 1.167 46.285 45.100 0.030 0.000 0.946 461 G HN 1.761 nan 8.290 nan 0.000 0.474 462 G N -0.031 108.391 108.800 -0.629 0.000 2.341 462 G HA2 0.650 4.609 3.960 -0.001 0.000 0.293 462 G HA3 0.650 4.609 3.960 -0.001 0.000 0.293 462 G C -1.086 173.545 174.900 -0.448 0.000 1.298 462 G CA 0.012 44.394 45.100 -1.197 0.000 0.868 462 G HN 1.750 nan 8.290 nan 0.000 0.540 463 A N -1.153 121.555 122.820 -0.187 0.000 2.435 463 A HA 0.861 5.180 4.320 -0.001 0.000 0.304 463 A C -1.015 176.699 177.584 0.217 0.000 1.064 463 A CA -0.607 51.523 52.037 0.156 0.000 0.727 463 A CB 2.190 21.472 19.000 0.470 0.000 1.284 463 A HN 1.718 nan 8.150 nan 0.000 0.415 464 V N 1.878 121.936 119.914 0.240 0.000 2.407 464 V HA 0.327 4.447 4.120 -0.001 0.000 0.291 464 V C -1.258 175.061 176.094 0.375 0.000 1.018 464 V CA -0.388 62.099 62.300 0.312 0.000 0.842 464 V CB 1.315 33.217 31.823 0.131 0.000 0.996 464 V HN 0.838 nan 8.190 nan 0.000 0.426 465 W N 9.449 130.908 121.300 0.264 0.000 2.288 465 W HA 0.483 5.142 4.660 -0.002 0.000 0.325 465 W C -2.433 174.224 176.519 0.229 0.000 1.019 465 W CA -3.075 54.424 57.345 0.258 0.000 1.403 465 W CB 1.261 30.926 29.460 0.342 0.000 1.226 465 W HN 0.341 nan 8.180 nan 0.000 0.391 466 P HA 0.078 nan 4.420 nan 0.000 0.275 466 P C 0.053 177.319 177.300 -0.056 0.000 1.227 466 P CA 0.264 63.423 63.100 0.098 0.000 0.781 466 P CB 2.326 34.043 31.700 0.029 0.000 0.906 467 V N 3.184 123.016 119.914 -0.136 0.000 4.255 467 V HA 0.129 4.248 4.120 -0.001 0.000 0.186 467 V C 2.468 178.443 176.094 -0.199 0.000 1.068 467 V CA 1.233 63.389 62.300 -0.240 0.000 1.418 467 V CB -1.447 30.106 31.823 -0.450 0.000 1.876 467 V HN 0.485 nan 8.190 nan 0.000 0.469 468 A N 0.164 122.877 122.820 -0.180 0.000 1.948 468 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 468 A C 2.107 179.625 177.584 -0.109 0.000 1.177 468 A CA 2.066 54.021 52.037 -0.138 0.000 0.636 468 A CB -0.704 18.229 19.000 -0.113 0.000 0.815 468 A HN 0.537 nan 8.150 nan 0.000 0.449 469 R N -0.408 120.037 120.500 -0.092 0.000 2.328 469 R HA -0.097 4.242 4.340 -0.001 0.000 0.207 469 R C 1.920 178.174 176.300 -0.075 0.000 1.056 469 R CA 0.919 56.973 56.100 -0.076 0.000 1.016 469 R CB -0.249 30.008 30.300 -0.073 0.000 0.872 469 R HN 0.715 nan 8.270 nan 0.000 0.471 470 Q N -0.147 119.590 119.800 -0.105 0.000 2.297 470 Q HA -0.082 4.257 4.340 -0.001 0.000 0.208 470 Q C 1.203 177.153 176.000 -0.084 0.000 0.981 470 Q CA 0.894 56.632 55.803 -0.110 0.000 0.876 470 Q CB 0.057 28.688 28.738 -0.178 0.000 0.921 470 Q HN 0.536 nan 8.270 nan 0.000 0.446 471 G N 0.570 109.320 108.800 -0.083 0.000 2.742 471 G HA2 -0.449 3.510 3.960 -0.001 0.000 0.255 471 G HA3 -0.449 3.510 3.960 -0.001 0.000 0.255 471 G C 0.452 175.309 174.900 -0.072 0.000 1.322 471 G CA 0.345 45.407 45.100 -0.064 0.000 0.967 471 G HN 0.353 nan 8.290 nan 0.000 0.556 472 Q N 0.051 119.819 119.800 -0.053 0.000 2.016 472 Q HA 0.113 4.452 4.340 -0.001 0.000 0.200 472 Q C 0.971 176.913 176.000 -0.096 0.000 0.978 472 Q CA 1.957 57.730 55.803 -0.049 0.000 0.833 472 Q CB -0.135 28.599 28.738 -0.007 0.000 0.895 472 Q HN 0.584 nan 8.270 nan 0.000 0.427 473 T N 1.891 116.380 114.554 -0.108 0.000 2.743 473 T HA 0.392 4.741 4.350 -0.001 0.000 0.292 473 T C -0.823 173.702 174.700 -0.291 0.000 0.972 473 T CA -0.412 61.542 62.100 -0.243 0.000 0.967 473 T CB 0.855 69.615 68.868 -0.179 0.000 0.926 473 T HN 0.165 nan 8.240 nan 0.000 0.459 474 R N 2.970 123.247 120.500 -0.372 0.000 2.666 474 R HA 0.274 4.613 4.340 -0.001 0.000 0.275 474 R C 1.109 177.197 176.300 -0.353 0.000 1.266 474 R CA -0.426 55.487 56.100 -0.312 0.000 1.401 474 R CB 0.713 30.868 30.300 -0.242 0.000 1.145 474 R HN 0.508 nan 8.270 nan 0.000 0.581 475 R N 0.497 120.792 120.500 -0.342 0.000 2.276 475 R HA -0.028 4.311 4.340 -0.001 0.000 0.203 475 R C 0.588 176.918 176.300 0.050 0.000 1.017 475 R CA 0.999 56.940 56.100 -0.265 0.000 1.010 475 R CB 0.339 30.493 30.300 -0.244 0.000 0.900 475 R HN 0.586 nan 8.270 nan 0.000 0.469 476 Y N -0.673 119.446 120.300 -0.302 0.000 2.636 476 Y HA 0.028 4.577 4.550 -0.001 0.000 0.260 476 Y C 1.719 177.197 175.900 -0.703 0.000 1.177 476 Y CA -0.699 57.069 58.100 -0.553 0.000 1.209 476 Y CB 0.683 38.818 38.460 -0.543 0.000 1.166 476 Y HN -0.002 nan 8.280 nan 0.000 0.531 477 Q N 1.538 121.182 119.800 -0.261 0.000 2.242 477 Q HA -0.258 4.081 4.340 -0.001 0.000 0.211 477 Q C 1.708 177.602 176.000 -0.176 0.000 0.992 477 Q CA 2.449 58.122 55.803 -0.217 0.000 0.889 477 Q CB -0.823 27.820 28.738 -0.159 0.000 0.913 477 Q HN 0.693 nan 8.270 nan 0.000 0.422 478 F N -1.509 118.419 119.950 -0.037 0.000 2.236 478 F HA -0.086 4.440 4.527 -0.001 0.000 0.302 478 F C 1.875 177.741 175.800 0.110 0.000 1.073 478 F CA 0.999 59.013 58.000 0.023 0.000 1.336 478 F CB -0.977 38.017 39.000 -0.011 0.000 1.040 478 F HN 0.095 nan 8.300 nan 0.000 0.507 479 A N 1.168 123.688 122.820 -0.500 0.000 2.015 479 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 479 A C 1.976 179.636 177.584 0.127 0.000 1.163 479 A CA 1.476 53.438 52.037 -0.124 0.000 0.646 479 A CB -0.884 17.826 19.000 -0.483 0.000 0.806 479 A HN 0.523 nan 8.150 nan 0.000 0.448 480 N N -1.706 116.999 118.700 0.009 0.000 2.364 480 N HA -0.153 4.586 4.740 -0.001 0.000 0.183 480 N C 1.299 176.920 175.510 0.184 0.000 1.022 480 N CA 1.497 54.588 53.050 0.068 0.000 0.883 480 N CB -0.309 38.175 38.487 -0.006 0.000 0.965 480 N HN 0.730 nan 8.380 nan 0.000 0.438 481 Y N 0.991 121.344 120.300 0.089 0.000 2.464 481 Y HA 0.166 4.715 4.550 -0.001 0.000 0.288 481 Y C 0.481 176.449 175.900 0.113 0.000 1.133 481 Y CA 0.297 58.451 58.100 0.089 0.000 1.223 481 Y CB 0.542 39.053 38.460 0.086 0.000 1.187 481 Y HN -0.071 nan 8.280 nan 0.000 0.539 482 R N -0.510 120.109 120.500 0.198 0.000 2.687 482 R HA 0.462 4.801 4.340 -0.001 0.000 0.265 482 R C -1.923 174.592 176.300 0.359 0.000 1.048 482 R CA -0.602 55.547 56.100 0.082 0.000 0.884 482 R CB 1.147 31.394 30.300 -0.089 0.000 1.258 482 R HN 0.153 nan 8.270 nan 0.000 0.469 483 F N -1.941 118.076 119.950 0.113 0.000 2.744 483 F HA 0.637 5.163 4.527 -0.002 0.000 0.311 483 F C -1.919 173.917 175.800 0.059 0.000 1.144 483 F CA -0.795 57.299 58.000 0.157 0.000 0.938 483 F CB 2.001 41.121 39.000 0.200 0.000 1.292 483 F HN 0.466 nan 8.300 nan 0.000 0.444 484 T N 3.260 117.972 114.554 0.264 0.000 2.841 484 T HA 0.622 4.971 4.350 -0.001 0.000 0.285 484 T C -1.644 173.207 174.700 0.252 0.000 0.991 484 T CA -0.392 61.791 62.100 0.138 0.000 0.966 484 T CB 1.478 70.340 68.868 -0.010 0.000 0.962 484 T HN 0.757 nan 8.240 nan 0.000 0.438 485 L N 4.951 126.301 121.223 0.212 0.000 2.322 485 L HA 0.801 5.140 4.340 -0.001 0.000 0.281 485 L C -1.048 175.834 176.870 0.021 0.000 1.014 485 L CA -0.453 54.405 54.840 0.030 0.000 0.815 485 L CB 1.396 43.378 42.059 -0.128 0.000 1.247 485 L HN 0.456 nan 8.230 nan 0.000 0.421 486 V N 3.901 123.830 119.914 0.025 0.000 2.735 486 V HA 0.999 5.118 4.120 -0.001 0.000 0.310 486 V C -0.312 175.772 176.094 -0.016 0.000 1.061 486 V CA -0.283 62.002 62.300 -0.026 0.000 0.913 486 V CB 1.417 33.278 31.823 0.063 0.000 1.005 486 V HN 0.991 nan 8.190 nan 0.000 0.428 487 A N 2.198 124.966 122.820 -0.086 0.000 2.604 487 A HA 0.824 5.143 4.320 -0.001 0.000 0.295 487 A C -0.627 176.969 177.584 0.020 0.000 1.067 487 A CA -0.577 51.466 52.037 0.010 0.000 0.683 487 A CB 1.985 21.007 19.000 0.037 0.000 1.281 487 A HN 0.647 nan 8.150 nan 0.000 0.407 488 T N 1.537 116.173 114.554 0.136 0.000 2.771 488 T HA 0.603 4.953 4.350 -0.001 0.000 0.281 488 T C -0.106 174.688 174.700 0.156 0.000 0.982 488 T CA -0.159 62.050 62.100 0.180 0.000 0.978 488 T CB 0.802 69.800 68.868 0.216 0.000 0.930 488 T HN 1.675 nan 8.240 nan 0.000 0.447 489 V N 1.091 121.100 119.914 0.159 0.000 2.914 489 V HA 1.001 5.120 4.120 -0.001 0.000 0.314 489 V C -0.342 175.840 176.094 0.147 0.000 1.084 489 V CA -0.981 61.404 62.300 0.142 0.000 0.963 489 V CB 2.009 33.906 31.823 0.123 0.000 1.025 489 V HN 0.932 nan 8.190 nan 0.000 0.432 490 T N 1.580 116.184 114.554 0.083 0.000 2.893 490 T HA 0.727 5.076 4.350 -0.001 0.000 0.293 490 T C -0.673 173.988 174.700 -0.066 0.000 1.027 490 T CA -0.663 61.470 62.100 0.055 0.000 0.988 490 T CB 1.632 70.536 68.868 0.061 0.000 1.043 490 T HN 0.736 nan 8.240 nan 0.000 0.461 491 I N 3.200 123.651 120.570 -0.198 0.000 2.325 491 I HA 0.286 4.455 4.170 -0.001 0.000 0.291 491 I C 0.209 176.209 176.117 -0.195 0.000 1.019 491 I CA -0.378 60.675 61.300 -0.411 0.000 1.302 491 I CB 1.004 38.411 38.000 -0.989 0.000 1.401 491 I HN 0.778 nan 8.210 nan 0.000 0.485 492 D N 4.182 124.526 120.400 -0.093 0.000 2.323 492 D HA 0.106 4.745 4.640 -0.001 0.000 0.218 492 D C 0.248 176.570 176.300 0.036 0.000 0.973 492 D CA 0.833 54.849 54.000 0.026 0.000 0.890 492 D CB 0.898 41.748 40.800 0.083 0.000 1.011 492 D HN 0.585 nan 8.370 nan 0.000 0.499 493 E N 0.202 120.436 120.200 0.057 0.000 2.331 493 E HA 0.363 4.712 4.350 -0.001 0.000 0.275 493 E C -0.622 176.085 176.600 0.180 0.000 0.895 493 E CA -0.610 55.856 56.400 0.112 0.000 0.753 493 E CB 2.779 32.553 29.700 0.124 0.000 1.216 493 E HN -0.097 nan 8.360 nan 0.000 0.434 494 L N 3.819 125.157 121.223 0.191 0.000 2.485 494 L HA 0.181 4.520 4.340 -0.001 0.000 0.275 494 L C -1.709 175.302 176.870 0.235 0.000 1.207 494 L CA -1.179 53.816 54.840 0.259 0.000 0.855 494 L CB -0.193 41.959 42.059 0.154 0.000 1.114 494 L HN 0.309 nan 8.230 nan 0.000 0.485 495 P HA 0.121 nan 4.420 nan 0.000 0.278 495 P C -0.171 177.167 177.300 0.063 0.000 1.258 495 P CA -0.717 62.457 63.100 0.124 0.000 0.811 495 P CB 1.288 32.966 31.700 -0.037 0.000 1.063 496 K N 0.416 120.833 120.400 0.028 0.000 2.097 496 K HA -0.045 4.274 4.320 -0.001 0.000 0.205 496 K C 1.338 177.937 176.600 -0.002 0.000 1.050 496 K CA 1.944 58.240 56.287 0.015 0.000 0.938 496 K CB -0.460 32.045 32.500 0.008 0.000 0.718 496 K HN 0.682 nan 8.250 nan 0.000 0.442 497 G N -1.083 107.704 108.800 -0.022 0.000 2.673 497 G HA2 0.157 4.116 3.960 -0.001 0.000 0.185 497 G HA3 0.157 4.116 3.960 -0.001 0.000 0.185 497 G C -0.659 174.203 174.900 -0.064 0.000 1.731 497 G CA -0.234 44.847 45.100 -0.033 0.000 0.788 497 G HN 0.178 nan 8.290 nan 0.000 0.793 498 T N 0.672 115.168 114.554 -0.095 0.000 2.824 498 T HA 0.698 5.047 4.350 -0.001 0.000 0.282 498 T C -1.055 173.507 174.700 -0.229 0.000 0.993 498 T CA -0.145 61.864 62.100 -0.152 0.000 0.967 498 T CB 1.728 70.547 68.868 -0.083 0.000 0.960 498 T HN 0.333 nan 8.240 nan 0.000 0.441 499 S N 2.837 118.267 115.700 -0.450 0.000 2.569 499 S HA 0.758 5.228 4.470 -0.001 0.000 0.280 499 S C -2.756 171.676 174.600 -0.280 0.000 1.111 499 S CA -1.589 56.373 58.200 -0.396 0.000 0.887 499 S CB 1.675 64.612 63.200 -0.438 0.000 1.095 499 S HN 0.422 nan 8.310 nan 0.000 0.476 500 P HA 0.353 nan 4.420 nan 0.000 0.281 500 P C -0.112 177.417 177.300 0.382 0.000 1.249 500 P CA -0.486 62.722 63.100 0.181 0.000 0.810 500 P CB 1.179 32.937 31.700 0.097 0.000 1.008 501 L N 1.965 123.443 121.223 0.424 0.000 2.638 501 L HA 0.539 4.878 4.340 -0.001 0.000 0.195 501 L C -0.372 176.620 176.870 0.203 0.000 1.065 501 L CA 0.822 55.867 54.840 0.342 0.000 0.859 501 L CB -0.155 42.098 42.059 0.324 0.000 1.269 501 L HN 0.299 nan 8.230 nan 0.000 0.484 502 L N -0.531 120.734 121.223 0.069 0.000 2.545 502 L HA 0.744 5.083 4.340 -0.001 0.000 0.258 502 L C -0.667 175.859 176.870 -0.573 0.000 0.942 502 L CA 0.609 55.311 54.840 -0.230 0.000 0.855 502 L CB 1.715 43.714 42.059 -0.100 0.000 1.374 502 L HN 0.344 nan 8.230 nan 0.000 0.411 503 G N 2.189 110.391 108.800 -0.997 0.000 2.333 503 G HA2 0.630 4.589 3.960 -0.001 0.000 0.288 503 G HA3 0.630 4.589 3.960 -0.001 0.000 0.288 503 G C -2.080 172.534 174.900 -0.476 0.000 1.286 503 G CA -0.108 44.602 45.100 -0.652 0.000 0.865 503 G HN 1.051 nan 8.290 nan 0.000 0.506 504 A N -0.547 122.238 122.820 -0.059 0.000 2.304 504 A HA 0.870 5.189 4.320 -0.001 0.000 0.314 504 A C 0.478 178.062 177.584 0.000 0.000 1.187 504 A CA 0.395 52.382 52.037 -0.083 0.000 0.810 504 A CB 1.029 19.975 19.000 -0.091 0.000 1.183 504 A HN 2.048 nan 8.150 nan 0.000 0.487 505 G N 0.946 109.663 108.800 -0.139 0.000 2.477 505 G HA2 0.561 4.520 3.960 -0.001 0.000 0.304 505 G HA3 0.561 4.520 3.960 -0.001 0.000 0.304 505 G C -0.440 174.413 174.900 -0.078 0.000 1.175 505 G CA -0.597 44.456 45.100 -0.079 0.000 0.907 505 G HN 0.699 nan 8.290 nan 0.000 0.509 506 L N 0.571 121.782 121.223 -0.021 0.000 2.331 506 L HA 0.378 4.717 4.340 -0.001 0.000 0.275 506 L C 0.228 177.094 176.870 -0.006 0.000 1.022 506 L CA -0.984 53.842 54.840 -0.024 0.000 0.812 506 L CB 1.791 43.842 42.059 -0.013 0.000 1.257 506 L HN 0.387 nan 8.230 nan 0.000 0.435 507 E N 1.585 121.771 120.200 -0.023 0.000 2.392 507 E HA 0.451 4.800 4.350 -0.001 0.000 0.264 507 E C 0.325 176.914 176.600 -0.018 0.000 1.024 507 E CA 0.515 56.902 56.400 -0.021 0.000 0.903 507 E CB 1.303 30.979 29.700 -0.039 0.000 0.963 507 E HN 0.790 nan 8.360 nan 0.000 0.432 508 G N 3.244 112.034 108.800 -0.016 0.000 2.373 508 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.634 508 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.634 508 G C -2.558 172.334 174.900 -0.014 0.000 1.267 508 G CA -0.840 44.251 45.100 -0.017 0.000 1.008 508 G HN 0.483 nan 8.290 nan 0.000 0.497 509 P HA 0.547 nan 4.420 nan 0.000 0.272 509 P C 0.915 178.207 177.300 -0.012 0.000 1.223 509 P CA 1.552 64.644 63.100 -0.013 0.000 0.784 509 P CB 0.803 32.496 31.700 -0.012 0.000 0.923 510 G N 1.402 110.193 108.800 -0.014 0.000 2.545 510 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.216 510 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.216 510 G C -0.786 174.103 174.900 -0.019 0.000 1.314 510 G CA 0.241 45.332 45.100 -0.015 0.000 0.906 510 G HN 0.725 nan 8.290 nan 0.000 0.563 511 D N 0.005 120.392 120.400 -0.022 0.000 2.952 511 D HA 0.598 5.237 4.640 -0.001 0.000 0.373 511 D C 0.723 177.005 176.300 -0.031 0.000 1.360 511 D CA 0.952 54.932 54.000 -0.034 0.000 0.788 511 D CB -0.073 40.698 40.800 -0.048 0.000 1.192 511 D HN 1.024 nan 8.370 nan 0.000 0.462 512 A N 1.030 123.842 122.820 -0.015 0.000 2.407 512 A HA 0.622 4.941 4.320 -0.001 0.000 0.248 512 A C 0.079 177.666 177.584 0.004 0.000 1.082 512 A CA -0.038 51.996 52.037 -0.004 0.000 0.785 512 A CB 0.546 19.546 19.000 0.001 0.000 1.020 512 A HN 0.218 nan 8.150 nan 0.000 0.489 513 K N 0.876 121.290 120.400 0.022 0.000 2.375 513 K HA 0.455 4.775 4.320 -0.001 0.000 0.249 513 K C 0.499 177.136 176.600 0.062 0.000 0.942 513 K CA -0.716 55.605 56.287 0.057 0.000 0.806 513 K CB 1.743 34.303 32.500 0.100 0.000 1.227 513 K HN 0.442 nan 8.250 nan 0.000 0.430 514 L N 1.981 123.250 121.223 0.077 0.000 2.023 514 L HA 0.290 4.629 4.340 -0.001 0.000 0.205 514 L C -0.417 176.526 176.870 0.121 0.000 1.073 514 L CA 1.636 56.535 54.840 0.099 0.000 0.745 514 L CB 0.004 42.138 42.059 0.125 0.000 0.900 514 L HN 0.599 nan 8.230 nan 0.000 0.435 515 L N -1.035 120.275 121.223 0.146 0.000 2.611 515 L HA 0.697 5.036 4.340 -0.001 0.000 0.260 515 L C -0.712 176.215 176.870 0.095 0.000 0.924 515 L CA 0.529 55.438 54.840 0.116 0.000 0.901 515 L CB 1.451 43.618 42.059 0.179 0.000 1.369 515 L HN 0.168 nan 8.230 nan 0.000 0.415 516 G N 2.811 111.610 108.800 -0.001 0.000 2.550 516 G HA2 0.620 4.579 3.960 -0.001 0.000 0.293 516 G HA3 0.620 4.579 3.960 -0.001 0.000 0.293 516 G C -2.721 172.149 174.900 -0.049 0.000 1.402 516 G CA -0.602 44.509 45.100 0.017 0.000 0.784 516 G HN 0.785 nan 8.290 nan 0.000 0.482 517 L N 0.243 121.478 121.223 0.020 0.000 2.464 517 L HA 0.848 5.188 4.340 -0.001 0.000 0.266 517 L C -0.351 176.631 176.870 0.187 0.000 0.965 517 L CA -0.352 54.511 54.840 0.038 0.000 0.833 517 L CB 1.967 43.993 42.059 -0.055 0.000 1.296 517 L HN 0.620 nan 8.230 nan 0.000 0.405 518 S N 2.533 118.366 115.700 0.221 0.000 2.671 518 S HA 0.841 5.310 4.470 -0.001 0.000 0.299 518 S C -1.539 173.297 174.600 0.394 0.000 1.116 518 S CA -0.374 57.976 58.200 0.249 0.000 0.912 518 S CB 1.756 65.009 63.200 0.089 0.000 1.130 518 S HN 0.573 nan 8.310 nan 0.000 0.501 519 Y N -0.397 120.018 120.300 0.191 0.000 2.581 519 Y HA 0.840 5.390 4.550 -0.001 0.000 0.345 519 Y C -0.972 175.046 175.900 0.196 0.000 1.036 519 Y CA -1.192 57.023 58.100 0.191 0.000 1.042 519 Y CB 0.957 39.350 38.460 -0.111 0.000 1.289 519 Y HN 0.671 nan 8.280 nan 0.000 0.471 520 D N -0.301 120.257 120.400 0.262 0.000 2.614 520 D HA 0.247 4.886 4.640 -0.001 0.000 0.264 520 D C 0.096 176.479 176.300 0.138 0.000 1.092 520 D CA -1.005 53.048 54.000 0.089 0.000 1.071 520 D CB 1.478 42.299 40.800 0.034 0.000 1.443 520 D HN 0.714 nan 8.370 nan 0.000 0.528 521 K N -0.667 119.757 120.400 0.040 0.000 2.288 521 K HA 0.006 4.325 4.320 -0.001 0.000 0.201 521 K C 0.385 176.946 176.600 -0.065 0.000 1.048 521 K CA 0.624 56.923 56.287 0.021 0.000 0.956 521 K CB -0.362 32.141 32.500 0.003 0.000 0.746 521 K HN 0.164 nan 8.250 nan 0.000 0.461 522 N N 1.634 120.273 118.700 -0.101 0.000 2.370 522 N HA 0.042 4.781 4.740 -0.001 0.000 0.198 522 N C -0.642 174.660 175.510 -0.346 0.000 1.156 522 N CA 0.118 53.063 53.050 -0.174 0.000 0.839 522 N CB 0.183 38.596 38.487 -0.123 0.000 0.989 522 N HN 0.214 nan 8.380 nan 0.000 0.468 523 R N 0.300 120.483 120.500 -0.528 0.000 3.422 523 R HA -0.178 4.161 4.340 -0.001 0.000 0.267 523 R C -0.525 175.086 176.300 -1.149 0.000 1.074 523 R CA 0.644 55.951 56.100 -1.323 0.000 0.718 523 R CB -1.844 27.603 30.300 -1.421 0.000 1.157 523 R HN 0.447 nan 8.270 nan 0.000 0.440 524 Q N -0.739 118.788 119.800 -0.455 0.000 2.378 524 Q HA 0.418 4.757 4.340 -0.001 0.000 0.276 524 Q C -0.376 175.675 176.000 0.086 0.000 1.083 524 Q CA -0.827 54.844 55.803 -0.221 0.000 0.856 524 Q CB 1.251 29.944 28.738 -0.075 0.000 1.383 524 Q HN 0.169 nan 8.270 nan 0.000 0.458 525 W N 0.476 121.947 121.300 0.285 0.000 2.448 525 W HA 0.472 5.131 4.660 -0.002 0.000 0.339 525 W C 0.133 176.725 176.519 0.122 0.000 1.124 525 W CA -0.585 56.892 57.345 0.221 0.000 1.262 525 W CB 0.982 30.513 29.460 0.120 0.000 1.251 525 W HN 0.219 nan 8.180 nan 0.000 0.597 526 R N 2.945 123.666 120.500 0.368 0.000 2.487 526 R HA 0.245 4.584 4.340 -0.001 0.000 0.288 526 R C -2.595 173.756 176.300 0.086 0.000 1.394 526 R CA -1.705 54.505 56.100 0.183 0.000 1.155 526 R CB 1.046 31.419 30.300 0.122 0.000 1.156 526 R HN 0.083 nan 8.270 nan 0.000 0.553 527 P HA 0.141 nan 4.420 nan 0.000 0.275 527 P C -0.670 176.363 177.300 -0.445 0.000 1.228 527 P CA -0.148 62.782 63.100 -0.284 0.000 0.786 527 P CB 1.160 32.641 31.700 -0.365 0.000 0.927 528 L N 3.640 124.558 121.223 -0.508 0.000 2.319 528 L HA 0.419 4.758 4.340 -0.001 0.000 0.281 528 L C -0.491 176.122 176.870 -0.427 0.000 1.005 528 L CA -0.811 53.845 54.840 -0.307 0.000 0.828 528 L CB 0.775 42.784 42.059 -0.083 0.000 1.227 528 L HN 0.355 nan 8.230 nan 0.000 0.415 529 Y N 2.010 122.325 120.300 0.026 0.000 2.587 529 Y HA 0.531 5.080 4.550 -0.002 0.000 0.328 529 Y C 1.264 177.173 175.900 0.017 0.000 0.980 529 Y CA -0.105 58.002 58.100 0.012 0.000 1.272 529 Y CB 1.374 39.828 38.460 -0.009 0.000 1.094 529 Y HN 0.929 nan 8.280 nan 0.000 0.503 530 G N 2.080 110.955 108.800 0.126 0.000 2.611 530 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.301 530 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.301 530 G C 1.101 176.040 174.900 0.064 0.000 1.233 530 G CA 0.380 45.531 45.100 0.085 0.000 0.993 530 G HN 0.938 nan 8.290 nan 0.000 0.553 531 A N 0.447 123.299 122.820 0.054 0.000 2.251 531 A HA 0.705 5.024 4.320 -0.001 0.000 0.209 531 A C 1.616 179.228 177.584 0.046 0.000 1.187 531 A CA 1.679 53.740 52.037 0.040 0.000 0.823 531 A CB -0.674 18.342 19.000 0.028 0.000 0.846 531 A HN 2.347 nan 8.150 nan 0.000 0.486 532 A N 1.547 124.409 122.820 0.070 0.000 2.425 532 A HA 0.508 4.827 4.320 -0.001 0.000 0.242 532 A C -1.954 175.672 177.584 0.070 0.000 1.077 532 A CA -1.036 51.048 52.037 0.077 0.000 0.781 532 A CB -0.302 18.768 19.000 0.118 0.000 1.020 532 A HN 0.326 nan 8.150 nan 0.000 0.494 533 P HA 0.253 nan 4.420 nan 0.000 0.268 533 P C -0.472 176.863 177.300 0.060 0.000 1.205 533 P CA 0.136 63.264 63.100 0.047 0.000 0.771 533 P CB 0.950 32.674 31.700 0.039 0.000 0.858 534 A N 2.690 125.535 122.820 0.041 0.000 3.157 534 A HA 0.318 4.637 4.320 -0.001 0.000 0.276 534 A C 0.566 178.179 177.584 0.048 0.000 1.524 534 A CA -0.302 51.755 52.037 0.034 0.000 1.236 534 A CB -0.720 18.288 19.000 0.012 0.000 1.173 534 A HN 0.445 nan 8.150 nan 0.000 0.595 535 S N 3.103 118.843 115.700 0.068 0.000 2.562 535 S HA 0.364 4.833 4.470 -0.001 0.000 0.281 535 S C -2.001 172.650 174.600 0.084 0.000 1.333 535 S CA -0.516 57.724 58.200 0.067 0.000 1.052 535 S CB 0.430 63.672 63.200 0.070 0.000 0.884 535 S HN 0.651 nan 8.310 nan 0.000 0.506 536 P HA 0.359 nan 4.420 nan 0.000 0.276 536 P C -0.470 176.890 177.300 0.100 0.000 1.252 536 P CA -0.304 62.851 63.100 0.092 0.000 0.802 536 P CB 1.030 32.764 31.700 0.056 0.000 1.035 537 T N -1.264 113.372 114.554 0.137 0.000 2.840 537 T HA 0.564 4.913 4.350 -0.001 0.000 0.317 537 T C -0.193 174.611 174.700 0.174 0.000 1.401 537 T CA 0.704 62.887 62.100 0.138 0.000 1.028 537 T CB 0.593 69.552 68.868 0.152 0.000 1.317 537 T HN 0.873 nan 8.240 nan 0.000 0.495 538 G N 1.931 110.812 108.800 0.134 0.000 2.598 538 G HA2 0.152 4.111 3.960 -0.001 0.000 0.244 538 G HA3 0.152 4.111 3.960 -0.001 0.000 0.244 538 G C -0.133 174.792 174.900 0.041 0.000 1.302 538 G CA 0.359 45.557 45.100 0.164 0.000 0.903 538 G HN 1.855 nan 8.290 nan 0.000 0.575 539 S N -0.443 115.275 115.700 0.030 0.000 2.542 539 S HA 0.686 5.155 4.470 -0.001 0.000 0.276 539 S C -0.950 173.568 174.600 -0.137 0.000 1.148 539 S CA 0.430 58.524 58.200 -0.175 0.000 0.886 539 S CB 0.755 63.901 63.200 -0.090 0.000 1.109 539 S HN 1.909 nan 8.310 nan 0.000 0.458 540 W N 3.134 124.220 121.300 -0.356 0.000 3.040 540 W HA 0.774 5.432 4.660 -0.002 0.000 0.344 540 W C -1.197 175.273 176.519 -0.080 0.000 1.201 540 W CA -0.854 56.327 57.345 -0.274 0.000 1.119 540 W CB 0.496 29.427 29.460 -0.881 0.000 1.478 540 W HN 0.863 nan 8.180 nan 0.000 0.586 541 E N 0.876 121.403 120.200 0.545 0.000 2.288 541 E HA 0.563 4.912 4.350 -0.001 0.000 0.268 541 E C -0.996 175.928 176.600 0.540 0.000 0.885 541 E CA -0.947 55.659 56.400 0.343 0.000 0.767 541 E CB 2.555 32.378 29.700 0.205 0.000 1.220 541 E HN 0.446 nan 8.360 nan 0.000 0.427 542 L N 3.110 124.523 121.223 0.317 0.000 2.506 542 L HA -0.030 4.309 4.340 -0.001 0.000 0.281 542 L C 0.411 177.236 176.870 -0.076 0.000 1.228 542 L CA 0.398 55.260 54.840 0.037 0.000 0.850 542 L CB -0.287 41.587 42.059 -0.309 0.000 1.110 542 L HN 0.799 nan 8.230 nan 0.000 0.496 543 H N -0.721 118.443 119.070 0.157 0.000 3.642 543 H HA -0.172 4.383 4.556 -0.002 0.000 0.185 543 H C 0.231 175.597 175.328 0.063 0.000 0.992 543 H CA 1.192 57.293 56.048 0.087 0.000 1.216 543 H CB -1.139 28.665 29.762 0.070 0.000 1.055 543 H HN 0.565 nan 8.280 nan 0.000 0.351 544 K N 1.787 122.268 120.400 0.135 0.000 2.138 544 K HA 0.344 4.663 4.320 -0.001 0.000 0.263 544 K C 0.042 176.533 176.600 -0.183 0.000 0.965 544 K CA -0.561 55.707 56.287 -0.032 0.000 0.868 544 K CB 1.200 33.650 32.500 -0.083 0.000 1.083 544 K HN -0.009 nan 8.250 nan 0.000 0.443 545 K N 3.427 123.709 120.400 -0.198 0.000 2.349 545 K HA 0.110 4.429 4.320 -0.001 0.000 0.288 545 K C -1.055 175.368 176.600 -0.296 0.000 1.058 545 K CA 0.006 56.219 56.287 -0.123 0.000 0.953 545 K CB 0.466 32.957 32.500 -0.016 0.000 0.997 545 K HN 0.437 nan 8.250 nan 0.000 0.477 546 Y N 0.594 121.014 120.300 0.201 0.000 2.446 546 Y HA 0.176 4.725 4.550 -0.001 0.000 0.338 546 Y C 0.395 176.426 175.900 0.219 0.000 1.055 546 Y CA -0.854 57.382 58.100 0.227 0.000 1.101 546 Y CB 1.429 40.031 38.460 0.236 0.000 1.221 546 Y HN 0.495 nan 8.280 nan 0.000 0.460 547 H N 2.613 121.864 119.070 0.302 0.000 2.552 547 H HA 0.537 5.093 4.556 -0.001 0.000 0.311 547 H C -1.513 173.870 175.328 0.092 0.000 1.071 547 H CA -0.439 55.745 56.048 0.226 0.000 1.307 547 H CB 0.994 30.985 29.762 0.382 0.000 1.416 547 H HN 0.463 nan 8.280 nan 0.000 0.464 548 V N 6.534 126.276 119.914 -0.287 0.000 2.448 548 V HA 0.250 4.369 4.120 -0.001 0.000 0.295 548 V C -0.298 175.618 176.094 -0.296 0.000 1.025 548 V CA -0.726 61.418 62.300 -0.261 0.000 0.859 548 V CB 1.695 33.391 31.823 -0.213 0.000 0.988 548 V HN 0.495 nan 8.190 nan 0.000 0.431 549 V N 6.337 126.164 119.914 -0.145 0.000 2.531 549 V HA 0.517 4.636 4.120 -0.001 0.000 0.301 549 V C -0.478 175.655 176.094 0.065 0.000 1.034 549 V CA -0.495 61.770 62.300 -0.058 0.000 0.865 549 V CB 1.881 33.662 31.823 -0.071 0.000 0.995 549 V HN 0.662 nan 8.190 nan 0.000 0.424 550 L N 4.762 126.011 121.223 0.043 0.000 2.313 550 L HA 0.770 5.110 4.340 -0.001 0.000 0.283 550 L C 0.199 177.057 176.870 -0.021 0.000 1.013 550 L CA -0.371 54.504 54.840 0.059 0.000 0.816 550 L CB 2.012 44.141 42.059 0.116 0.000 1.236 550 L HN 0.769 nan 8.230 nan 0.000 0.419 551 T N 0.972 115.477 114.554 -0.081 0.000 2.841 551 T HA 0.727 5.077 4.350 -0.001 0.000 0.283 551 T C -0.538 173.931 174.700 -0.386 0.000 1.000 551 T CA -0.707 61.256 62.100 -0.228 0.000 0.977 551 T CB 2.323 71.150 68.868 -0.067 0.000 0.979 551 T HN 0.464 nan 8.240 nan 0.000 0.446 552 M N 2.722 121.949 119.600 -0.623 0.000 2.224 552 M HA 0.724 5.203 4.480 -0.001 0.000 0.281 552 M C -1.882 174.206 176.300 -0.354 0.000 1.025 552 M CA -0.473 54.526 55.300 -0.502 0.000 0.954 552 M CB 1.291 33.460 32.600 -0.719 0.000 1.639 552 M HN 1.218 nan 8.290 nan 0.000 0.461 553 A N 3.512 126.184 122.820 -0.245 0.000 2.612 553 A HA 0.687 5.007 4.320 -0.001 0.000 0.293 553 A C -0.685 176.773 177.584 -0.210 0.000 1.075 553 A CA -0.393 51.491 52.037 -0.255 0.000 0.680 553 A CB 0.880 19.744 19.000 -0.227 0.000 1.279 553 A HN 0.866 nan 8.150 nan 0.000 0.411 554 D N 0.422 120.670 120.400 -0.253 0.000 2.751 554 D HA -0.202 4.437 4.640 -0.001 0.000 0.233 554 D C 0.535 176.773 176.300 -0.103 0.000 1.149 554 D CA 1.525 55.431 54.000 -0.156 0.000 0.682 554 D CB -0.865 39.870 40.800 -0.108 0.000 1.068 554 D HN 0.844 nan 8.370 nan 0.000 0.429 555 R N -2.220 118.218 120.500 -0.104 0.000 4.000 555 R HA -0.262 4.078 4.340 -0.001 0.000 0.362 555 R C 0.138 176.408 176.300 -0.050 0.000 1.183 555 R CA 1.439 57.507 56.100 -0.053 0.000 1.011 555 R CB -1.466 28.820 30.300 -0.023 0.000 1.501 555 R HN 0.502 nan 8.270 nan 0.000 0.553 556 Q N -0.623 119.131 119.800 -0.076 0.000 2.345 556 Q HA 0.669 5.009 4.340 -0.001 0.000 0.268 556 Q C 0.173 176.127 176.000 -0.077 0.000 1.054 556 Q CA -0.362 55.399 55.803 -0.071 0.000 0.835 556 Q CB 2.491 31.179 28.738 -0.083 0.000 1.339 556 Q HN 0.226 nan 8.270 nan 0.000 0.447 557 G N 0.265 109.041 108.800 -0.039 0.000 2.524 557 G HA2 0.645 4.604 3.960 -0.001 0.000 0.310 557 G HA3 0.645 4.604 3.960 -0.001 0.000 0.310 557 G C -1.116 173.804 174.900 0.033 0.000 1.279 557 G CA -0.408 44.695 45.100 0.005 0.000 0.974 557 G HN 0.394 nan 8.290 nan 0.000 0.484 558 S N -0.818 114.901 115.700 0.032 0.000 2.548 558 S HA 0.632 5.101 4.470 -0.001 0.000 0.276 558 S C -0.738 173.843 174.600 -0.031 0.000 1.129 558 S CA -0.468 57.714 58.200 -0.031 0.000 0.931 558 S CB 2.042 65.175 63.200 -0.112 0.000 1.068 558 S HN 0.600 nan 8.310 nan 0.000 0.480 559 V N 3.429 123.270 119.914 -0.122 0.000 2.555 559 V HA 0.569 4.688 4.120 -0.001 0.000 0.302 559 V C -1.566 174.305 176.094 -0.371 0.000 1.038 559 V CA -0.610 61.609 62.300 -0.135 0.000 0.887 559 V CB 1.239 32.984 31.823 -0.131 0.000 0.991 559 V HN 0.871 nan 8.190 nan 0.000 0.434 560 Y N 2.435 122.656 120.300 -0.132 0.000 2.409 560 Y HA 0.724 5.273 4.550 -0.001 0.000 0.343 560 Y C -0.144 175.620 175.900 -0.227 0.000 0.973 560 Y CA -0.950 57.062 58.100 -0.147 0.000 1.064 560 Y CB 2.296 40.693 38.460 -0.105 0.000 1.207 560 Y HN 0.350 nan 8.280 nan 0.000 0.452 561 V N 2.843 122.694 119.914 -0.104 0.000 2.487 561 V HA 0.247 4.366 4.120 -0.001 0.000 0.298 561 V C -0.759 175.286 176.094 -0.081 0.000 1.028 561 V CA -1.258 60.939 62.300 -0.172 0.000 0.860 561 V CB 1.545 33.129 31.823 -0.398 0.000 0.991 561 V HN 0.882 nan 8.190 nan 0.000 0.427 562 D N 4.222 124.583 120.400 -0.065 0.000 2.686 562 D HA -0.200 4.440 4.640 -0.001 0.000 0.235 562 D C 1.337 177.027 176.300 -1.017 0.000 1.160 562 D CA 1.769 55.415 54.000 -0.589 0.000 0.645 562 D CB -1.060 39.582 40.800 -0.263 0.000 1.039 562 D HN 1.450 nan 8.370 nan 0.000 0.423 563 G N -1.182 107.310 108.800 -0.514 0.000 2.179 563 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.260 563 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.260 563 G C 0.112 175.015 174.900 0.006 0.000 0.977 563 G CA 0.330 45.261 45.100 -0.282 0.000 0.641 563 G HN 0.410 nan 8.290 nan 0.000 0.533 564 Q N 0.600 120.430 119.800 0.051 0.000 2.337 564 Q HA 0.483 4.822 4.340 -0.001 0.000 0.266 564 Q C -2.540 173.489 176.000 0.048 0.000 1.023 564 Q CA -2.009 53.847 55.803 0.089 0.000 0.829 564 Q CB 2.705 31.441 28.738 -0.004 0.000 1.306 564 Q HN 0.305 nan 8.270 nan 0.000 0.449 565 P HA 0.152 nan 4.420 nan 0.000 0.275 565 P C -0.334 176.826 177.300 -0.233 0.000 1.227 565 P CA -0.117 62.696 63.100 -0.478 0.000 0.781 565 P CB 0.918 32.338 31.700 -0.466 0.000 0.906 566 L N 1.925 123.014 121.223 -0.223 0.000 2.399 566 L HA 0.418 4.757 4.340 -0.001 0.000 0.266 566 L C 1.166 178.023 176.870 -0.022 0.000 1.114 566 L CA -1.045 53.754 54.840 -0.068 0.000 0.804 566 L CB 0.669 42.708 42.059 -0.035 0.000 1.146 566 L HN 0.422 nan 8.230 nan 0.000 0.451 567 A N 1.502 124.338 122.820 0.027 0.000 2.587 567 A HA 0.353 4.673 4.320 -0.001 0.000 0.235 567 A C 1.194 178.803 177.584 0.041 0.000 1.044 567 A CA 0.796 52.844 52.037 0.019 0.000 0.754 567 A CB -0.331 18.698 19.000 0.048 0.000 0.968 567 A HN 1.158 nan 8.150 nan 0.000 0.509 568 G N 1.446 110.169 108.800 -0.129 0.000 2.195 568 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.246 568 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.246 568 G C 0.586 174.968 174.900 -0.863 0.000 0.984 568 G CA 0.394 45.236 45.100 -0.429 0.000 0.633 568 G HN 1.241 nan 8.290 nan 0.000 0.525 569 S N 0.102 115.523 115.700 -0.466 0.000 2.568 569 S HA 0.447 4.916 4.470 -0.001 0.000 0.282 569 S C 1.645 176.040 174.600 -0.342 0.000 1.338 569 S CA 1.510 59.471 58.200 -0.400 0.000 1.045 569 S CB 1.042 64.069 63.200 -0.288 0.000 0.873 569 S HN 2.114 nan 8.310 nan 0.000 0.516 570 G N 2.842 111.481 108.800 -0.269 0.000 2.217 570 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.246 570 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.246 570 G C 0.066 174.849 174.900 -0.196 0.000 0.990 570 G CA -0.247 44.740 45.100 -0.188 0.000 0.627 570 G HN 0.615 nan 8.290 nan 0.000 0.522 571 N N 1.059 119.581 118.700 -0.297 0.000 2.381 571 N HA 0.311 5.050 4.740 -0.001 0.000 0.241 571 N C 0.424 175.860 175.510 -0.122 0.000 1.279 571 N CA 0.737 53.652 53.050 -0.225 0.000 0.896 571 N CB 0.234 38.534 38.487 -0.311 0.000 1.118 571 N HN 0.188 nan 8.380 nan 0.000 0.438 572 T N 0.682 115.192 114.554 -0.073 0.000 2.769 572 T HA 0.153 4.502 4.350 -0.001 0.000 0.293 572 T C 1.683 176.386 174.700 0.005 0.000 0.931 572 T CA -0.497 61.584 62.100 -0.032 0.000 1.139 572 T CB 0.263 69.116 68.868 -0.024 0.000 0.881 572 T HN 0.395 nan 8.240 nan 0.000 0.532 573 V N 2.391 122.318 119.914 0.022 0.000 3.125 573 V HA 0.356 4.475 4.120 -0.001 0.000 0.249 573 V C 0.742 176.862 176.094 0.043 0.000 1.113 573 V CA 0.148 62.484 62.300 0.059 0.000 1.106 573 V CB 0.135 32.011 31.823 0.088 0.000 0.768 573 V HN 0.538 nan 8.190 nan 0.000 0.468 574 V N 2.626 122.555 119.914 0.025 0.000 2.483 574 V HA 0.628 4.748 4.120 -0.001 0.000 0.297 574 V C -0.680 175.422 176.094 0.014 0.000 1.027 574 V CA -0.728 61.586 62.300 0.023 0.000 0.855 574 V CB 1.642 33.481 31.823 0.026 0.000 0.995 574 V HN 0.466 nan 8.190 nan 0.000 0.424 575 R N 4.628 125.136 120.500 0.014 0.000 2.368 575 R HA 0.788 5.127 4.340 -0.001 0.000 0.302 575 R C 0.323 176.630 176.300 0.011 0.000 1.002 575 R CA 0.377 56.483 56.100 0.010 0.000 0.929 575 R CB 1.327 31.632 30.300 0.008 0.000 1.073 575 R HN 1.452 nan 8.270 nan 0.000 0.464 576 G N 0.402 109.209 108.800 0.011 0.000 2.570 576 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.686 576 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.686 576 G C 0.111 175.022 174.900 0.018 0.000 1.257 576 G CA -0.324 44.784 45.100 0.013 0.000 0.846 576 G HN 0.550 nan 8.290 nan 0.000 0.627 577 A N -0.532 122.299 122.820 0.019 0.000 2.169 577 A HA 0.464 4.783 4.320 -0.001 0.000 0.212 577 A C 1.482 179.080 177.584 0.023 0.000 1.153 577 A CA 1.987 54.039 52.037 0.026 0.000 0.756 577 A CB -0.296 18.719 19.000 0.025 0.000 0.813 577 A HN 1.714 nan 8.150 nan 0.000 0.471 578 T N 1.413 115.975 114.554 0.013 0.000 2.752 578 T HA 0.386 4.736 4.350 -0.001 0.000 0.295 578 T C 0.165 174.867 174.700 0.004 0.000 0.923 578 T CA -0.339 61.762 62.100 0.001 0.000 1.112 578 T CB 0.670 69.533 68.868 -0.008 0.000 0.884 578 T HN 0.256 nan 8.240 nan 0.000 0.525 579 L N 5.151 126.373 121.223 -0.002 0.000 2.615 579 L HA 0.073 4.413 4.340 -0.001 0.000 0.284 579 L C -1.530 175.332 176.870 -0.013 0.000 1.237 579 L CA -1.360 53.482 54.840 0.004 0.000 0.905 579 L CB 0.208 42.252 42.059 -0.026 0.000 1.149 579 L HN 0.440 nan 8.230 nan 0.000 0.499 580 P HA -0.004 nan 4.420 nan 0.000 0.269 580 P C -1.020 176.254 177.300 -0.044 0.000 1.217 580 P CA -0.076 63.018 63.100 -0.010 0.000 0.783 580 P CB 0.437 32.145 31.700 0.014 0.000 0.898 581 D N 1.258 121.624 120.400 -0.057 0.000 2.432 581 D HA 0.279 4.918 4.640 -0.001 0.000 0.265 581 D C -0.470 175.770 176.300 -0.100 0.000 1.160 581 D CA -0.335 53.614 54.000 -0.085 0.000 0.911 581 D CB -0.488 40.264 40.800 -0.079 0.000 1.052 581 D HN 0.149 nan 8.370 nan 0.000 0.508 582 I N 2.337 122.818 120.570 -0.148 0.000 2.517 582 I HA -0.002 4.167 4.170 -0.001 0.000 0.285 582 I C 1.810 177.805 176.117 -0.204 0.000 1.106 582 I CA 0.002 61.174 61.300 -0.214 0.000 1.402 582 I CB 1.195 38.970 38.000 -0.375 0.000 1.399 582 I HN 0.360 nan 8.210 nan 0.000 0.535 583 S N 5.512 121.148 115.700 -0.107 0.000 2.371 583 S HA -0.053 4.416 4.470 -0.001 0.000 0.224 583 S C 0.453 175.084 174.600 0.052 0.000 1.029 583 S CA 0.640 58.847 58.200 0.012 0.000 0.978 583 S CB -0.141 63.154 63.200 0.159 0.000 0.833 583 S HN 0.824 nan 8.310 nan 0.000 0.466 584 H N -1.578 117.334 119.070 -0.262 0.000 2.969 584 H HA 0.416 4.971 4.556 -0.001 0.000 0.304 584 H C -1.888 173.214 175.328 -0.376 0.000 1.400 584 H CA -1.637 54.247 56.048 -0.273 0.000 1.182 584 H CB -0.404 29.339 29.762 -0.031 0.000 1.865 584 H HN 0.166 nan 8.280 nan 0.000 0.512 585 F N 1.695 121.635 119.950 -0.017 0.000 2.394 585 F HA 0.358 4.885 4.527 -0.001 0.000 0.340 585 F C 0.208 176.056 175.800 0.080 0.000 1.105 585 F CA -0.832 57.103 58.000 -0.108 0.000 1.124 585 F CB 0.817 39.805 39.000 -0.020 0.000 1.145 585 F HN 0.438 nan 8.300 nan 0.000 0.505 586 Y N 0.658 121.024 120.300 0.110 0.000 2.387 586 Y HA 0.821 5.370 4.550 -0.001 0.000 0.336 586 Y C -1.026 174.965 175.900 0.152 0.000 1.067 586 Y CA -1.714 56.480 58.100 0.156 0.000 1.114 586 Y CB 0.867 39.373 38.460 0.078 0.000 1.208 586 Y HN 0.406 nan 8.280 nan 0.000 0.458 587 I N 4.114 124.819 120.570 0.225 0.000 2.439 587 I HA 0.609 4.778 4.170 -0.001 0.000 0.285 587 I C 0.592 176.712 176.117 0.004 0.000 1.021 587 I CA -0.231 61.169 61.300 0.165 0.000 1.091 587 I CB 1.373 39.539 38.000 0.276 0.000 1.242 587 I HN 1.152 nan 8.210 nan 0.000 0.439 588 G N 4.728 113.585 108.800 0.094 0.000 2.509 588 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.259 588 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.259 588 G C 0.355 175.309 174.900 0.090 0.000 1.169 588 G CA -0.064 45.042 45.100 0.010 0.000 0.953 588 G HN 1.079 nan 8.290 nan 0.000 0.563 589 G N 1.295 110.069 108.800 -0.043 0.000 5.001 589 G HA2 0.722 4.681 3.960 -0.001 0.000 0.304 589 G HA3 0.722 4.681 3.960 -0.001 0.000 0.304 589 G C -2.089 172.778 174.900 -0.054 0.000 1.400 589 G CA 0.146 45.239 45.100 -0.011 0.000 1.029 589 G HN 0.676 nan 8.290 nan 0.000 0.584 590 P HA 0.507 nan 4.420 nan 0.000 0.275 590 P C -0.781 176.506 177.300 -0.022 0.000 1.228 590 P CA -0.227 62.852 63.100 -0.035 0.000 0.786 590 P CB 1.593 33.301 31.700 0.014 0.000 0.927 591 R N -0.403 120.078 120.500 -0.031 0.000 2.725 591 R HA 0.369 4.708 4.340 -0.001 0.000 0.254 591 R C -0.052 176.228 176.300 -0.034 0.000 1.076 591 R CA -0.710 55.367 56.100 -0.038 0.000 0.940 591 R CB -0.632 29.642 30.300 -0.042 0.000 1.260 591 R HN 0.300 nan 8.270 nan 0.000 0.466 592 S N 0.170 115.846 115.700 -0.040 0.000 2.554 592 S HA 0.283 4.752 4.470 -0.001 0.000 0.226 592 S C 0.122 174.706 174.600 -0.028 0.000 0.980 592 S CA 0.114 58.295 58.200 -0.031 0.000 0.939 592 S CB -0.449 62.729 63.200 -0.037 0.000 0.832 592 S HN 0.797 nan 8.310 nan 0.000 0.486 593 K N -1.533 118.849 120.400 -0.030 0.000 2.809 593 K HA 0.566 4.885 4.320 -0.001 0.000 0.293 593 K C 0.156 176.738 176.600 -0.029 0.000 1.061 593 K CA -0.570 55.701 56.287 -0.027 0.000 0.837 593 K CB 0.130 32.613 32.500 -0.028 0.000 1.524 593 K HN 0.676 nan 8.250 nan 0.000 0.370 594 G N 0.198 108.982 108.800 -0.026 0.000 2.542 594 G HA2 0.119 4.078 3.960 -0.001 0.000 0.235 594 G HA3 0.119 4.078 3.960 -0.001 0.000 0.235 594 G C -0.017 174.869 174.900 -0.025 0.000 1.286 594 G CA 0.094 45.178 45.100 -0.027 0.000 0.904 594 G HN 1.447 nan 8.290 nan 0.000 0.577 595 A N 1.450 124.253 122.820 -0.028 0.000 2.587 595 A HA 0.494 4.813 4.320 -0.001 0.000 0.233 595 A C -0.947 176.623 177.584 -0.023 0.000 1.049 595 A CA 0.705 52.727 52.037 -0.025 0.000 0.754 595 A CB -0.043 18.938 19.000 -0.032 0.000 0.977 595 A HN 0.926 nan 8.150 nan 0.000 0.509 596 P HA 0.123 nan 4.420 nan 0.000 0.219 596 P C -0.376 176.921 177.300 -0.006 0.000 1.832 596 P CA -0.182 62.912 63.100 -0.009 0.000 1.014 596 P CB -0.606 31.092 31.700 -0.003 0.000 1.939 597 T N 1.633 116.179 114.554 -0.014 0.000 2.905 597 T HA 0.002 4.351 4.350 -0.001 0.000 0.299 597 T C 0.264 174.972 174.700 0.012 0.000 1.024 597 T CA 0.863 62.958 62.100 -0.010 0.000 1.151 597 T CB 0.054 68.905 68.868 -0.028 0.000 0.987 597 T HN 0.242 nan 8.240 nan 0.000 0.535 598 D N 2.228 122.648 120.400 0.033 0.000 2.405 598 D HA 0.172 4.811 4.640 -0.001 0.000 0.264 598 D C -0.627 175.736 176.300 0.105 0.000 1.240 598 D CA -0.468 53.571 54.000 0.064 0.000 0.893 598 D CB 0.478 41.314 40.800 0.060 0.000 1.198 598 D HN 0.302 nan 8.370 nan 0.000 0.514 599 S N 2.847 118.627 115.700 0.133 0.000 2.465 599 S HA 0.235 4.705 4.470 -0.001 0.000 0.280 599 S C 0.483 175.238 174.600 0.259 0.000 1.232 599 S CA -0.509 57.835 58.200 0.239 0.000 1.066 599 S CB 0.645 64.013 63.200 0.281 0.000 0.929 599 S HN 0.193 nan 8.310 nan 0.000 0.494 600 R N 3.272 123.923 120.500 0.251 0.000 2.593 600 R HA 0.277 4.616 4.340 -0.001 0.000 0.282 600 R C -0.166 176.208 176.300 0.122 0.000 1.300 600 R CA -0.135 56.074 56.100 0.182 0.000 1.221 600 R CB -0.543 29.845 30.300 0.146 0.000 1.157 600 R HN 0.527 nan 8.270 nan 0.000 0.555 601 V N -1.626 118.385 119.914 0.162 0.000 3.078 601 V HA 0.673 4.792 4.120 -0.001 0.000 0.311 601 V C -0.203 175.938 176.094 0.079 0.000 1.138 601 V CA -0.798 61.554 62.300 0.087 0.000 1.007 601 V CB 2.577 34.454 31.823 0.090 0.000 1.045 601 V HN 0.322 nan 8.190 nan 0.000 0.432 602 T N 2.072 116.629 114.554 0.004 0.000 2.792 602 T HA 0.749 5.098 4.350 -0.001 0.000 0.280 602 T C -0.678 174.030 174.700 0.014 0.000 0.990 602 T CA -0.388 61.659 62.100 -0.088 0.000 0.960 602 T CB 1.468 70.288 68.868 -0.080 0.000 0.939 602 T HN 0.817 nan 8.240 nan 0.000 0.439 603 V N 3.658 123.580 119.914 0.013 0.000 2.656 603 V HA 0.800 4.919 4.120 -0.001 0.000 0.307 603 V C 0.120 176.352 176.094 0.230 0.000 1.051 603 V CA -0.873 61.547 62.300 0.201 0.000 0.893 603 V CB 2.063 34.140 31.823 0.424 0.000 0.999 603 V HN 1.107 nan 8.190 nan 0.000 0.426 604 T N 0.122 114.822 114.554 0.244 0.000 2.896 604 T HA 0.545 4.894 4.350 -0.001 0.000 0.297 604 T C -0.337 174.518 174.700 0.257 0.000 1.108 604 T CA -0.844 61.419 62.100 0.271 0.000 1.004 604 T CB 1.587 70.559 68.868 0.173 0.000 1.159 604 T HN 0.546 nan 8.240 nan 0.000 0.499 605 N N 0.047 118.895 118.700 0.246 0.000 2.642 605 N HA -0.111 4.629 4.740 -0.001 0.000 0.269 605 N C -0.639 175.042 175.510 0.285 0.000 1.073 605 N CA 0.335 53.564 53.050 0.300 0.000 0.748 605 N CB -1.217 37.499 38.487 0.382 0.000 0.894 605 N HN 0.682 nan 8.380 nan 0.000 0.548 606 V N 1.048 121.016 119.914 0.089 0.000 2.385 606 V HA 0.387 4.506 4.120 -0.001 0.000 0.269 606 V C 0.811 177.013 176.094 0.181 0.000 1.043 606 V CA -0.667 61.635 62.300 0.004 0.000 0.906 606 V CB 1.709 33.335 31.823 -0.328 0.000 0.995 606 V HN 0.127 nan 8.190 nan 0.000 0.467 607 V N 6.056 126.091 119.914 0.202 0.000 2.628 607 V HA 0.615 4.734 4.120 -0.001 0.000 0.306 607 V C -0.469 175.663 176.094 0.063 0.000 1.045 607 V CA -0.773 61.612 62.300 0.142 0.000 0.905 607 V CB 1.862 33.689 31.823 0.007 0.000 0.997 607 V HN 0.664 nan 8.190 nan 0.000 0.436 608 L N 4.507 125.671 121.223 -0.098 0.000 2.381 608 L HA 0.717 5.056 4.340 -0.001 0.000 0.274 608 L C -1.526 175.098 176.870 -0.410 0.000 0.988 608 L CA -0.130 54.570 54.840 -0.233 0.000 0.824 608 L CB 1.617 43.370 42.059 -0.510 0.000 1.263 608 L HN 0.580 nan 8.230 nan 0.000 0.410 609 Y N 2.460 122.678 120.300 -0.138 0.000 2.485 609 Y HA 0.389 4.938 4.550 -0.002 0.000 0.345 609 Y C 0.628 176.409 175.900 -0.199 0.000 0.998 609 Y CA -0.700 57.287 58.100 -0.188 0.000 1.059 609 Y CB 1.556 39.934 38.460 -0.136 0.000 1.234 609 Y HN 0.706 nan 8.280 nan 0.000 0.461 610 N N 1.845 120.378 118.700 -0.279 0.000 2.389 610 N HA 0.121 4.860 4.740 -0.001 0.000 0.237 610 N C -0.702 174.733 175.510 -0.126 0.000 1.148 610 N CA -0.381 52.330 53.050 -0.565 0.000 0.854 610 N CB -0.001 37.765 38.487 -1.202 0.000 1.115 610 N HN 0.772 nan 8.380 nan 0.000 0.492 611 R N -2.075 118.427 120.500 0.003 0.000 2.690 611 R HA 0.347 4.686 4.340 -0.001 0.000 0.269 611 R C -1.367 174.903 176.300 -0.049 0.000 1.037 611 R CA -1.006 55.084 56.100 -0.016 0.000 0.877 611 R CB 0.999 31.273 30.300 -0.044 0.000 1.255 611 R HN 0.032 nan 8.270 nan 0.000 0.467 612 R N 2.668 123.110 120.500 -0.096 0.000 2.296 612 R HA 0.237 4.577 4.340 -0.001 0.000 0.323 612 R C -0.328 175.875 176.300 -0.162 0.000 1.067 612 R CA -0.315 55.702 56.100 -0.137 0.000 0.946 612 R CB 0.351 30.569 30.300 -0.138 0.000 0.991 612 R HN 0.549 nan 8.270 nan 0.000 0.448 613 L N 3.773 124.859 121.223 -0.227 0.000 2.473 613 L HA 0.078 4.417 4.340 -0.001 0.000 0.268 613 L C 0.672 177.416 176.870 -0.210 0.000 1.215 613 L CA -0.431 54.245 54.840 -0.275 0.000 0.823 613 L CB 0.289 42.107 42.059 -0.401 0.000 1.099 613 L HN 0.797 nan 8.230 nan 0.000 0.483 614 N N -0.753 117.836 118.700 -0.185 0.000 2.447 614 N HA 0.120 4.859 4.740 -0.001 0.000 0.271 614 N C 0.693 176.108 175.510 -0.159 0.000 1.226 614 N CA -0.200 52.766 53.050 -0.140 0.000 0.980 614 N CB 0.507 38.932 38.487 -0.104 0.000 1.206 614 N HN 0.571 nan 8.380 nan 0.000 0.558 615 S N -0.899 114.731 115.700 -0.117 0.000 2.370 615 S HA -0.269 4.200 4.470 -0.001 0.000 0.226 615 S C 1.849 176.383 174.600 -0.110 0.000 1.033 615 S CA 1.419 59.551 58.200 -0.114 0.000 1.011 615 S CB -1.089 62.078 63.200 -0.055 0.000 0.852 615 S HN 0.740 nan 8.310 nan 0.000 0.457 616 S N 1.704 117.352 115.700 -0.087 0.000 2.406 616 S HA -0.103 4.366 4.470 -0.001 0.000 0.228 616 S C 1.842 176.389 174.600 -0.088 0.000 1.020 616 S CA 1.044 59.201 58.200 -0.071 0.000 0.965 616 S CB -0.514 62.652 63.200 -0.057 0.000 0.798 616 S HN 0.654 nan 8.310 nan 0.000 0.488 617 E N 0.516 120.642 120.200 -0.123 0.000 2.106 617 E HA -0.051 4.298 4.350 -0.001 0.000 0.192 617 E C 2.011 178.521 176.600 -0.150 0.000 0.984 617 E CA 1.410 57.719 56.400 -0.152 0.000 0.806 617 E CB -0.236 29.335 29.700 -0.215 0.000 0.750 617 E HN 0.586 nan 8.360 nan 0.000 0.458 618 I N 0.698 121.161 120.570 -0.179 0.000 2.202 618 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 618 I C 2.743 178.832 176.117 -0.047 0.000 1.091 618 I CA 1.006 62.204 61.300 -0.171 0.000 1.368 618 I CB -0.193 37.574 38.000 -0.390 0.000 1.058 618 I HN 0.019 nan 8.210 nan 0.000 0.410 619 R N 0.536 121.012 120.500 -0.040 0.000 2.081 619 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 619 R C 2.274 178.592 176.300 0.030 0.000 1.131 619 R CA 2.120 58.258 56.100 0.062 0.000 0.960 619 R CB -0.291 30.038 30.300 0.048 0.000 0.856 619 R HN 0.268 nan 8.270 nan 0.000 0.436 620 T N 1.718 116.253 114.554 -0.030 0.000 2.684 620 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 620 T C 1.833 176.485 174.700 -0.080 0.000 1.036 620 T CA 1.576 63.641 62.100 -0.059 0.000 1.148 620 T CB -0.229 68.602 68.868 -0.062 0.000 0.863 620 T HN 0.177 nan 8.240 nan 0.000 0.436 621 L N -0.002 121.188 121.223 -0.055 0.000 2.012 621 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 621 L C 2.357 179.044 176.870 -0.305 0.000 1.073 621 L CA 1.620 56.433 54.840 -0.046 0.000 0.748 621 L CB -0.653 41.481 42.059 0.125 0.000 0.891 621 L HN 0.222 nan 8.230 nan 0.000 0.431 622 F N 0.889 120.487 119.950 -0.587 0.000 2.095 622 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 622 F C 2.170 177.746 175.800 -0.373 0.000 1.104 622 F CA 1.614 59.115 58.000 -0.832 0.000 1.232 622 F CB -0.417 38.353 39.000 -0.383 0.000 0.987 622 F HN -0.120 nan 8.300 nan 0.000 0.475 623 L N 0.184 121.070 121.223 -0.562 0.000 2.141 623 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 623 L C 2.287 178.960 176.870 -0.328 0.000 1.094 623 L CA 1.410 55.946 54.840 -0.508 0.000 0.763 623 L CB -0.886 41.014 42.059 -0.265 0.000 0.908 623 L HN 0.325 nan 8.230 nan 0.000 0.437 624 S N -1.821 113.739 115.700 -0.233 0.000 2.605 624 S HA -0.000 4.469 4.470 -0.001 0.000 0.217 624 S C 1.519 176.061 174.600 -0.096 0.000 0.958 624 S CA -0.271 57.845 58.200 -0.140 0.000 0.919 624 S CB 0.133 63.279 63.200 -0.090 0.000 0.780 624 S HN 0.373 nan 8.310 nan 0.000 0.507 625 Q N 1.420 121.137 119.800 -0.139 0.000 2.156 625 Q HA -0.214 4.125 4.340 -0.001 0.000 0.211 625 Q C 1.070 177.090 176.000 0.034 0.000 0.995 625 Q CA 1.843 57.638 55.803 -0.014 0.000 0.877 625 Q CB -0.233 28.495 28.738 -0.015 0.000 0.920 625 Q HN 0.564 nan 8.270 nan 0.000 0.416 626 D N -0.975 119.417 120.400 -0.014 0.000 2.349 626 D HA 0.012 4.652 4.640 -0.001 0.000 0.224 626 D C 1.236 177.553 176.300 0.028 0.000 1.029 626 D CA 0.588 54.596 54.000 0.012 0.000 0.879 626 D CB 0.267 41.057 40.800 -0.018 0.000 0.906 626 D HN 0.351 nan 8.370 nan 0.000 0.528 627 M N -0.315 119.301 119.600 0.027 0.000 2.367 627 M HA 0.178 4.657 4.480 -0.001 0.000 0.256 627 M C 1.844 178.199 176.300 0.092 0.000 1.091 627 M CA 0.228 55.549 55.300 0.035 0.000 1.049 627 M CB 0.564 33.157 32.600 -0.012 0.000 1.406 627 M HN -0.044 nan 8.290 nan 0.000 0.498 628 I N -1.914 118.735 120.570 0.132 0.000 3.883 628 I HA 0.360 4.529 4.170 -0.001 0.000 0.326 628 I C 0.990 177.335 176.117 0.381 0.000 1.283 628 I CA -0.422 61.005 61.300 0.212 0.000 1.161 628 I CB -0.513 37.576 38.000 0.149 0.000 1.012 628 I HN -0.015 nan 8.210 nan 0.000 0.421 629 G N 1.416 110.387 108.800 0.284 0.000 2.491 629 G HA2 0.249 4.208 3.960 -0.001 0.000 0.242 629 G HA3 0.249 4.208 3.960 -0.001 0.000 0.242 629 G C 0.981 175.985 174.900 0.173 0.000 1.266 629 G CA 0.364 45.605 45.100 0.236 0.000 0.844 629 G HN 0.414 nan 8.290 nan 0.000 0.571 630 T N -0.892 113.713 114.554 0.085 0.000 3.113 630 T HA 0.015 4.364 4.350 -0.001 0.000 0.256 630 T C 0.803 175.467 174.700 -0.060 0.000 1.131 630 T CA 0.542 62.649 62.100 0.012 0.000 1.074 630 T CB -0.017 68.837 68.868 -0.023 0.000 0.944 630 T HN 0.509 nan 8.240 nan 0.000 0.516 631 D N 0.000 120.324 120.400 -0.126 0.000 6.856 631 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 631 D CA 0.000 53.706 54.000 -0.489 0.000 0.868 631 D CB 0.000 40.415 40.800 -0.642 0.000 0.688 631 D HN 0.000 nan 8.370 nan 0.000 0.683