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 3nxl_1_D DATA FIRST_RESID 10 DATA SEQUENCE GTPRVTRXQV IPVAGRDSXL LNLCGAHAPY FTRNLVILDD SSGHTGVGEV DATA SEQUENCE PGGEGIRHAL ERXTDLVVGQ SIGRYQATLN AVRAALSXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXRL DNVITAIEAA LLDLLGQHLD VPVAALLGEG DATA SEQUENCE QQRDAVPXLA YLFYIGDRGR TDLPYRDEAQ ARTPWFRLRN EEALTPAAIA DATA SEQUENCE RQAEAAVDRY GFADFKLKGG VXAGADEXEA IAAIKACFPD ARATLDPNGA DATA SEQUENCE WSLDEAVALC RGQGHLLAYA EDPCGPEGGY SGREVXAEFR RATGIPTATN DATA SEQUENCE XIATDWRQXD HAVRLQAVDI PLADPHFWTX QGSVRLAQLC RDWGLTWGSH DATA SEQUENCE SNNHFDVSLA XFTHAAAAAP GTITAIDTHW IWQEGDARLT REPLKIVGGQ DATA SEQUENCE VAVPERPGLG IELDXAQVEA AHALYKEVGG TARDDAVAXR YLVPGWTYDP DATA SEQUENCE KRPSFG 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.931 174.900 0.051 0.000 0.946 10 G CA 0.000 45.127 45.100 0.044 0.000 0.502 11 T N 4.254 118.801 114.554 -0.011 0.000 2.749 11 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 11 T C -2.479 172.119 174.700 -0.171 0.000 0.936 11 T CA -0.726 61.281 62.100 -0.155 0.000 1.060 11 T CB 1.767 70.556 68.868 -0.132 0.000 0.904 11 T HN -0.028 nan 8.240 nan 0.000 0.500 12 P HA 0.199 nan 4.420 nan 0.000 0.264 12 P C -0.157 177.083 177.300 -0.099 0.000 1.183 12 P CA -0.184 62.833 63.100 -0.138 0.000 0.763 12 P CB 0.533 32.153 31.700 -0.134 0.000 0.807 13 R N 1.599 122.064 120.500 -0.059 0.000 2.598 13 R HA 0.460 4.800 4.340 -0.000 0.000 0.279 13 R C -0.701 175.582 176.300 -0.028 0.000 0.984 13 R CA -0.961 55.115 56.100 -0.039 0.000 0.999 13 R CB 0.765 31.048 30.300 -0.029 0.000 1.114 13 R HN 0.183 nan 8.270 nan 0.000 0.493 14 V N 2.407 122.309 119.914 -0.019 0.000 2.521 14 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 14 V C 1.176 177.263 176.094 -0.013 0.000 1.034 14 V CA 0.744 63.037 62.300 -0.012 0.000 1.045 14 V CB 1.061 32.880 31.823 -0.007 0.000 0.974 14 V HN 1.077 nan 8.190 nan 0.000 0.480 15 T N 2.507 117.053 114.554 -0.013 0.000 3.015 15 T HA 0.277 4.627 4.350 -0.000 0.000 0.250 15 T C 0.669 175.362 174.700 -0.013 0.000 1.057 15 T CA 0.004 62.096 62.100 -0.014 0.000 1.066 15 T CB 0.495 69.353 68.868 -0.015 0.000 0.959 15 T HN 0.545 nan 8.240 nan 0.000 0.488 19 V N 3.653 123.516 119.914 -0.084 0.000 2.313 19 V HA 0.519 4.639 4.120 -0.000 0.000 0.278 19 V C -0.431 175.575 176.094 -0.147 0.000 1.017 19 V CA -0.278 61.965 62.300 -0.096 0.000 0.823 19 V CB 0.876 32.656 31.823 -0.071 0.000 1.010 19 V HN 0.582 nan 8.190 nan 0.000 0.443 20 I N 7.798 128.263 120.570 -0.176 0.000 2.411 20 I HA 0.382 4.552 4.170 -0.000 0.000 0.284 20 I C -2.393 173.589 176.117 -0.225 0.000 1.012 20 I CA -1.996 59.157 61.300 -0.246 0.000 1.119 20 I CB 2.607 40.438 38.000 -0.281 0.000 1.261 20 I HN 0.382 nan 8.210 nan 0.000 0.448 21 P HA 0.206 nan 4.420 nan 0.000 0.275 21 P C -0.760 176.287 177.300 -0.422 0.000 1.227 21 P CA -0.103 62.644 63.100 -0.588 0.000 0.781 21 P CB 1.598 32.473 31.700 -1.375 0.000 0.906 22 V N -0.912 118.817 119.914 -0.308 0.000 3.007 22 V HA 0.959 5.079 4.120 -0.000 0.000 0.311 22 V C -0.833 175.305 176.094 0.073 0.000 1.120 22 V CA -1.391 60.838 62.300 -0.118 0.000 0.980 22 V CB 1.646 33.282 31.823 -0.312 0.000 1.033 22 V HN 0.729 nan 8.190 nan 0.000 0.429 23 A N 1.140 124.025 122.820 0.109 0.000 2.413 23 A HA 1.086 5.406 4.320 -0.000 0.000 0.307 23 A C -0.024 177.610 177.584 0.084 0.000 1.087 23 A CA -0.181 51.883 52.037 0.044 0.000 0.750 23 A CB 1.811 20.801 19.000 -0.018 0.000 1.296 23 A HN 2.208 nan 8.150 nan 0.000 0.423 24 G N 0.089 108.705 108.800 -0.307 0.000 2.695 24 G HA2 0.598 4.558 3.960 -0.000 0.000 0.290 24 G HA3 0.598 4.558 3.960 -0.000 0.000 0.290 24 G C -1.106 173.745 174.900 -0.082 0.000 1.410 24 G CA -0.898 44.091 45.100 -0.185 0.000 0.844 24 G HN 0.764 nan 8.290 nan 0.000 0.478 25 R N 0.019 120.576 120.500 0.096 0.000 2.500 25 R HA 0.565 4.905 4.340 -0.000 0.000 0.275 25 R C -1.247 175.129 176.300 0.126 0.000 1.051 25 R CA -0.580 55.536 56.100 0.028 0.000 1.088 25 R CB 1.426 31.691 30.300 -0.058 0.000 1.063 25 R HN 0.494 nan 8.270 nan 0.000 0.511 26 D N -0.614 119.802 120.400 0.026 0.000 2.570 26 D HA 0.306 4.946 4.640 -0.000 0.000 0.244 26 D C -0.744 175.569 176.300 0.021 0.000 1.178 26 D CA -0.412 53.614 54.000 0.044 0.000 0.881 26 D CB 2.098 42.953 40.800 0.092 0.000 1.453 26 D HN 0.314 nan 8.370 nan 0.000 0.447 30 L N 2.989 124.137 121.223 -0.125 0.000 2.350 30 L HA 0.535 4.875 4.340 -0.000 0.000 0.275 30 L C -0.040 176.891 176.870 0.102 0.000 1.099 30 L CA -0.165 54.674 54.840 -0.003 0.000 0.808 30 L CB 1.372 43.495 42.059 0.106 0.000 1.149 30 L HN 0.834 nan 8.230 nan 0.000 0.442 31 N N 0.568 119.301 118.700 0.055 0.000 3.106 31 N HA 0.231 4.971 4.740 -0.000 0.000 0.253 31 N C 0.269 175.840 175.510 0.101 0.000 1.506 31 N CA -0.974 52.147 53.050 0.117 0.000 0.876 31 N CB 0.808 39.409 38.487 0.190 0.000 1.452 31 N HN 0.400 nan 8.380 nan 0.000 0.542 32 L N -0.416 120.899 121.223 0.153 0.000 2.137 32 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 32 L C 0.844 177.951 176.870 0.395 0.000 1.085 32 L CA 1.550 56.534 54.840 0.240 0.000 0.760 32 L CB -0.371 41.830 42.059 0.237 0.000 0.893 32 L HN 0.767 nan 8.230 nan 0.000 0.434 33 C N -0.634 118.822 119.300 0.260 0.000 2.697 33 C HA 0.410 4.870 4.460 -0.000 0.000 0.267 33 C C 1.394 176.448 174.990 0.108 0.000 1.278 33 C CA 0.161 59.318 59.018 0.230 0.000 1.708 33 C CB -0.925 26.809 27.740 -0.010 0.000 1.860 33 C HN 0.850 nan 8.230 nan 0.000 0.589 34 G N 0.220 108.913 108.800 -0.178 0.000 2.130 34 G HA2 0.386 4.346 3.960 -0.000 0.000 0.151 34 G HA3 0.386 4.346 3.960 -0.000 0.000 0.151 34 G C -1.071 173.626 174.900 -0.338 0.000 1.173 34 G CA 0.220 44.941 45.100 -0.633 0.000 1.278 34 G HN 0.969 nan 8.290 nan 0.000 0.479 35 A N -0.411 122.282 122.820 -0.212 0.000 2.422 35 A HA 0.778 5.098 4.320 -0.000 0.000 0.302 35 A C -0.410 177.211 177.584 0.062 0.000 1.041 35 A CA -0.337 51.646 52.037 -0.090 0.000 0.708 35 A CB 0.659 19.581 19.000 -0.130 0.000 1.257 35 A HN 0.874 nan 8.150 nan 0.000 0.414 36 H N 1.090 120.094 119.070 -0.110 0.000 3.001 36 H HA 0.247 4.803 4.556 -0.000 0.000 0.334 36 H C 1.122 176.468 175.328 0.030 0.000 1.034 36 H CA 0.485 56.485 56.048 -0.081 0.000 1.420 36 H CB 0.971 30.623 29.762 -0.183 0.000 1.405 36 H HN 0.880 nan 8.280 nan 0.000 0.593 37 A N 5.413 128.276 122.820 0.071 0.000 2.386 37 A HA 0.067 4.387 4.320 -0.000 0.000 0.246 37 A C -1.149 176.341 177.584 -0.156 0.000 1.089 37 A CA -1.186 50.836 52.037 -0.025 0.000 0.790 37 A CB 0.001 18.973 19.000 -0.047 0.000 1.042 37 A HN 0.601 nan 8.150 nan 0.000 0.497 38 P HA -0.055 nan 4.420 nan 0.000 0.226 38 P C -0.506 176.376 177.300 -0.697 0.000 1.153 38 P CA 1.366 63.917 63.100 -0.915 0.000 0.777 38 P CB -0.047 30.809 31.700 -1.407 0.000 0.794 39 Y N -0.100 120.111 120.300 -0.148 0.000 2.462 39 Y HA 0.480 5.030 4.550 -0.000 0.000 0.346 39 Y C 0.421 176.326 175.900 0.009 0.000 0.976 39 Y CA -1.525 56.525 58.100 -0.084 0.000 1.044 39 Y CB 1.444 39.818 38.460 -0.143 0.000 1.230 39 Y HN -0.208 nan 8.280 nan 0.000 0.455 40 F N -0.505 119.496 119.950 0.085 0.000 2.598 40 F HA 0.948 5.475 4.527 -0.000 0.000 0.327 40 F C -0.574 175.303 175.800 0.129 0.000 1.057 40 F CA -0.993 57.024 58.000 0.028 0.000 0.957 40 F CB 1.574 40.533 39.000 -0.068 0.000 1.278 40 F HN 0.409 nan 8.300 nan 0.000 0.484 41 T N -0.005 114.642 114.554 0.156 0.000 2.916 41 T HA 0.821 5.171 4.350 -0.000 0.000 0.292 41 T C -0.840 174.026 174.700 0.276 0.000 1.055 41 T CA -1.048 61.146 62.100 0.157 0.000 1.009 41 T CB 2.186 71.227 68.868 0.289 0.000 1.118 41 T HN 0.829 nan 8.240 nan 0.000 0.497 42 R N 1.309 121.953 120.500 0.241 0.000 2.836 42 R HA 0.531 4.871 4.340 -0.000 0.000 0.269 42 R C -1.150 175.169 176.300 0.033 0.000 1.010 42 R CA -0.918 55.309 56.100 0.212 0.000 0.930 42 R CB 1.519 32.055 30.300 0.393 0.000 1.218 42 R HN 0.691 nan 8.270 nan 0.000 0.473 43 N N 1.117 119.824 118.700 0.012 0.000 2.392 43 N HA 0.345 5.085 4.740 -0.000 0.000 0.283 43 N C -0.883 174.602 175.510 -0.041 0.000 1.003 43 N CA -0.646 52.365 53.050 -0.064 0.000 0.892 43 N CB 1.740 40.191 38.487 -0.059 0.000 1.193 43 N HN 0.176 nan 8.380 nan 0.000 0.487 44 L N 2.073 123.244 121.223 -0.087 0.000 2.322 44 L HA 0.487 4.827 4.340 -0.000 0.000 0.279 44 L C -0.381 176.446 176.870 -0.071 0.000 1.036 44 L CA -0.732 54.063 54.840 -0.075 0.000 0.807 44 L CB 1.776 43.764 42.059 -0.117 0.000 1.226 44 L HN 0.198 nan 8.230 nan 0.000 0.433 45 V N 5.255 125.140 119.914 -0.047 0.000 2.448 45 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 45 V C -0.206 175.861 176.094 -0.046 0.000 1.025 45 V CA -0.509 61.764 62.300 -0.044 0.000 0.859 45 V CB 1.802 33.611 31.823 -0.024 0.000 0.988 45 V HN 0.497 nan 8.190 nan 0.000 0.431 46 I N 6.056 126.596 120.570 -0.050 0.000 2.418 46 I HA 0.509 4.679 4.170 -0.000 0.000 0.287 46 I C -0.856 175.240 176.117 -0.035 0.000 1.008 46 I CA -0.439 60.834 61.300 -0.046 0.000 1.104 46 I CB 1.788 39.755 38.000 -0.056 0.000 1.264 46 I HN 0.315 nan 8.210 nan 0.000 0.438 47 L N 5.447 126.655 121.223 -0.026 0.000 2.341 47 L HA 0.551 4.891 4.340 -0.000 0.000 0.278 47 L C -0.931 175.934 176.870 -0.008 0.000 1.005 47 L CA -0.754 54.075 54.840 -0.018 0.000 0.818 47 L CB 1.932 43.981 42.059 -0.015 0.000 1.259 47 L HN 0.481 nan 8.230 nan 0.000 0.418 48 D N 1.851 122.248 120.400 -0.006 0.000 2.192 48 D HA 0.356 4.996 4.640 -0.000 0.000 0.246 48 D C -0.992 175.311 176.300 0.004 0.000 1.042 48 D CA -0.274 53.729 54.000 0.004 0.000 0.847 48 D CB 2.689 43.487 40.800 -0.003 0.000 1.186 48 D HN 0.529 nan 8.370 nan 0.000 0.461 49 D N -1.769 118.641 120.400 0.016 0.000 2.392 49 D HA 0.118 4.758 4.640 -0.000 0.000 0.246 49 D C 0.890 177.176 176.300 -0.023 0.000 1.013 49 D CA -0.720 53.279 54.000 -0.001 0.000 0.993 49 D CB 0.840 41.643 40.800 0.006 0.000 1.219 49 D HN 0.111 nan 8.370 nan 0.000 0.538 50 S N -0.760 114.919 115.700 -0.035 0.000 2.537 50 S HA -0.143 4.327 4.470 -0.000 0.000 0.240 50 S C 1.356 175.916 174.600 -0.066 0.000 0.981 50 S CA 0.750 58.924 58.200 -0.043 0.000 0.948 50 S CB -0.879 62.298 63.200 -0.037 0.000 0.759 50 S HN 0.561 nan 8.310 nan 0.000 0.531 51 S N -0.212 115.427 115.700 -0.101 0.000 2.577 51 S HA 0.515 4.985 4.470 -0.000 0.000 0.219 51 S C 1.423 175.856 174.600 -0.277 0.000 0.962 51 S CA 0.251 58.338 58.200 -0.189 0.000 0.921 51 S CB -0.360 62.703 63.200 -0.229 0.000 0.789 51 S HN 1.366 nan 8.310 nan 0.000 0.497 52 G N 1.013 109.723 108.800 -0.150 0.000 2.159 52 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.256 52 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.256 52 G C -0.116 174.780 174.900 -0.007 0.000 0.977 52 G CA 0.137 45.184 45.100 -0.088 0.000 0.652 52 G HN 0.631 nan 8.290 nan 0.000 0.531 53 H N 0.458 119.528 119.070 0.001 0.000 2.505 53 H HA 0.675 5.231 4.556 -0.000 0.000 0.351 53 H C 0.266 175.586 175.328 -0.013 0.000 1.151 53 H CA 0.530 56.576 56.048 -0.002 0.000 1.339 53 H CB 1.291 31.056 29.762 0.006 0.000 1.483 53 H HN 0.143 nan 8.280 nan 0.000 0.558 54 T N 1.262 115.884 114.554 0.113 0.000 2.861 54 T HA 0.583 4.933 4.350 -0.000 0.000 0.287 54 T C 0.277 174.973 174.700 -0.007 0.000 1.003 54 T CA -0.842 61.279 62.100 0.036 0.000 0.977 54 T CB 1.830 70.709 68.868 0.017 0.000 0.996 54 T HN 0.731 nan 8.240 nan 0.000 0.448 55 G N 0.487 109.275 108.800 -0.020 0.000 2.519 55 G HA2 0.712 4.672 3.960 -0.000 0.000 0.307 55 G HA3 0.712 4.672 3.960 -0.000 0.000 0.307 55 G C -1.607 173.266 174.900 -0.044 0.000 1.266 55 G CA -0.675 44.397 45.100 -0.046 0.000 0.970 55 G HN 0.717 nan 8.290 nan 0.000 0.481 56 V N 0.350 120.232 119.914 -0.053 0.000 2.789 56 V HA 0.949 5.069 4.120 -0.000 0.000 0.311 56 V C 0.042 176.110 176.094 -0.044 0.000 1.073 56 V CA 0.043 62.316 62.300 -0.045 0.000 0.921 56 V CB 2.042 33.841 31.823 -0.040 0.000 1.009 56 V HN 1.276 nan 8.190 nan 0.000 0.426 57 G N 3.671 112.452 108.800 -0.030 0.000 2.524 57 G HA2 0.670 4.630 3.960 -0.000 0.000 0.310 57 G HA3 0.670 4.630 3.960 -0.000 0.000 0.310 57 G C -1.476 173.431 174.900 0.012 0.000 1.279 57 G CA -0.461 44.630 45.100 -0.014 0.000 0.974 57 G HN 0.887 nan 8.290 nan 0.000 0.484 58 E N 0.224 120.455 120.200 0.052 0.000 2.248 58 E HA 0.638 4.988 4.350 -0.000 0.000 0.267 58 E C -0.719 175.967 176.600 0.142 0.000 0.877 58 E CA -0.766 55.688 56.400 0.089 0.000 0.759 58 E CB 2.280 32.056 29.700 0.125 0.000 1.182 58 E HN 0.561 nan 8.360 nan 0.000 0.418 59 V N 0.125 120.099 119.914 0.100 0.000 3.182 59 V HA 0.657 4.777 4.120 -0.000 0.000 0.308 59 V C -2.798 173.321 176.094 0.041 0.000 1.240 59 V CA -2.684 59.668 62.300 0.086 0.000 1.063 59 V CB 1.196 33.101 31.823 0.136 0.000 1.076 59 V HN 0.582 nan 8.190 nan 0.000 0.446 60 P HA 0.250 nan 4.420 nan 0.000 0.266 60 P C 0.305 177.653 177.300 0.080 0.000 1.193 60 P CA 1.007 64.145 63.100 0.063 0.000 0.770 60 P CB 0.266 32.007 31.700 0.069 0.000 0.836 61 G N 0.747 109.613 108.800 0.111 0.000 2.563 61 G HA2 0.574 4.534 3.960 -0.000 0.000 0.283 61 G HA3 0.574 4.534 3.960 -0.000 0.000 0.283 61 G C -0.129 174.824 174.900 0.089 0.000 1.309 61 G CA -0.202 44.958 45.100 0.100 0.000 1.022 61 G HN 0.812 nan 8.290 nan 0.000 0.501 62 G N -1.571 107.291 108.800 0.105 0.000 2.627 62 G HA2 0.018 3.978 3.960 -0.000 0.000 0.680 62 G HA3 0.018 3.978 3.960 -0.000 0.000 0.680 62 G C 0.253 175.179 174.900 0.043 0.000 1.341 62 G CA 0.044 45.196 45.100 0.086 0.000 0.835 62 G HN 0.443 nan 8.290 nan 0.000 0.643 63 E N 0.744 120.976 120.200 0.053 0.000 2.106 63 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 63 E C 2.617 179.208 176.600 -0.016 0.000 0.984 63 E CA 1.624 58.008 56.400 -0.027 0.000 0.806 63 E CB -0.301 29.451 29.700 0.085 0.000 0.750 63 E HN 0.804 nan 8.360 nan 0.000 0.458 64 G N 1.475 110.317 108.800 0.071 0.000 2.446 64 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 64 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 64 G C 1.756 176.694 174.900 0.062 0.000 1.168 64 G CA 0.681 45.838 45.100 0.096 0.000 0.771 64 G HN 0.193 nan 8.290 nan 0.000 0.551 65 I N 0.047 120.633 120.570 0.027 0.000 2.252 65 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 65 I C 2.840 178.947 176.117 -0.017 0.000 1.102 65 I CA 0.996 62.307 61.300 0.019 0.000 1.385 65 I CB -0.244 37.770 38.000 0.023 0.000 1.064 65 I HN 0.120 nan 8.210 nan 0.000 0.414 66 R N 0.329 120.776 120.500 -0.089 0.000 2.103 66 R HA -0.236 4.104 4.340 -0.000 0.000 0.242 66 R C 2.349 178.562 176.300 -0.144 0.000 1.142 66 R CA 1.815 57.810 56.100 -0.174 0.000 0.960 66 R CB -0.319 29.791 30.300 -0.318 0.000 0.858 66 R HN 0.437 nan 8.270 nan 0.000 0.439 67 H N -0.532 118.548 119.070 0.017 0.000 2.436 67 H HA 0.067 4.623 4.556 -0.000 0.000 0.294 67 H C 1.923 177.258 175.328 0.012 0.000 1.048 67 H CA 1.155 57.212 56.048 0.015 0.000 1.353 67 H CB -0.139 29.635 29.762 0.020 0.000 1.414 67 H HN 0.390 nan 8.280 nan 0.000 0.536 68 A N 1.177 124.068 122.820 0.119 0.000 1.898 68 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 68 A C 2.642 180.256 177.584 0.050 0.000 1.181 68 A CA 0.881 52.962 52.037 0.073 0.000 0.620 68 A CB -0.844 18.191 19.000 0.057 0.000 0.819 68 A HN 0.265 nan 8.150 nan 0.000 0.442 69 L N -0.855 120.388 121.223 0.033 0.000 2.042 69 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 69 L C 2.628 179.510 176.870 0.020 0.000 1.076 69 L CA 1.851 56.701 54.840 0.017 0.000 0.749 69 L CB -0.568 41.488 42.059 -0.004 0.000 0.893 69 L HN 0.470 nan 8.230 nan 0.000 0.432 70 E N -0.456 119.764 120.200 0.034 0.000 2.085 70 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 70 E C 1.072 177.695 176.600 0.039 0.000 0.994 70 E CA 0.690 57.115 56.400 0.041 0.000 0.801 70 E CB 0.132 29.882 29.700 0.083 0.000 0.743 70 E HN 0.367 nan 8.360 nan 0.000 0.453 74 D N 1.579 121.981 120.400 0.003 0.000 2.312 74 D HA 0.145 4.785 4.640 -0.000 0.000 0.211 74 D C 1.834 178.134 176.300 0.001 0.000 0.964 74 D CA 0.653 54.653 54.000 0.001 0.000 0.877 74 D CB 0.045 40.845 40.800 0.001 0.000 0.924 74 D HN 0.396 nan 8.370 nan 0.000 0.515 75 L N -0.173 121.052 121.223 0.003 0.000 2.341 75 L HA -0.006 4.334 4.340 -0.000 0.000 0.214 75 L C 1.999 178.871 176.870 0.003 0.000 1.115 75 L CA 0.304 55.145 54.840 0.002 0.000 0.820 75 L CB 0.221 42.282 42.059 0.004 0.000 0.944 75 L HN -0.063 nan 8.230 nan 0.000 0.452 76 V N -1.461 118.455 119.914 0.004 0.000 2.690 76 V HA 0.048 4.168 4.120 -0.000 0.000 0.240 76 V C 1.111 177.205 176.094 0.001 0.000 1.078 76 V CA 0.055 62.358 62.300 0.006 0.000 1.102 76 V CB 0.662 32.489 31.823 0.007 0.000 0.800 76 V HN -0.042 nan 8.190 nan 0.000 0.479 77 V N 1.917 121.829 119.914 -0.002 0.000 2.585 77 V HA 0.464 4.584 4.120 -0.000 0.000 0.296 77 V C 1.473 177.563 176.094 -0.006 0.000 1.035 77 V CA 1.415 63.712 62.300 -0.005 0.000 1.084 77 V CB -0.133 31.686 31.823 -0.007 0.000 0.953 77 V HN 0.734 nan 8.190 nan 0.000 0.483 78 G N 3.233 112.028 108.800 -0.009 0.000 2.213 78 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.236 78 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.236 78 G C 0.176 175.070 174.900 -0.011 0.000 0.991 78 G CA -0.221 44.873 45.100 -0.010 0.000 0.629 78 G HN 0.584 nan 8.290 nan 0.000 0.517 79 Q N 0.802 120.597 119.800 -0.008 0.000 2.230 79 Q HA 0.566 4.906 4.340 -0.000 0.000 0.248 79 Q C 0.404 176.398 176.000 -0.010 0.000 0.915 79 Q CA 0.036 55.834 55.803 -0.008 0.000 0.900 79 Q CB 1.607 30.344 28.738 -0.002 0.000 1.229 79 Q HN 0.329 nan 8.270 nan 0.000 0.439 80 S N 1.196 116.888 115.700 -0.014 0.000 2.562 80 S HA 0.071 4.541 4.470 -0.000 0.000 0.281 80 S C 1.442 176.040 174.600 -0.004 0.000 1.333 80 S CA -0.466 57.720 58.200 -0.023 0.000 1.052 80 S CB 0.113 63.297 63.200 -0.026 0.000 0.884 80 S HN 0.610 nan 8.310 nan 0.000 0.506 81 I N 2.897 123.452 120.570 -0.025 0.000 3.001 81 I HA 0.209 4.379 4.170 -0.000 0.000 0.268 81 I C 1.828 177.992 176.117 0.080 0.000 1.267 81 I CA 1.035 62.342 61.300 0.012 0.000 1.472 81 I CB -0.818 37.156 38.000 -0.043 0.000 1.089 81 I HN 0.668 nan 8.210 nan 0.000 0.468 82 G N 1.468 110.289 108.800 0.034 0.000 2.443 82 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.219 82 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.219 82 G C 1.580 176.548 174.900 0.114 0.000 1.131 82 G CA -0.023 45.130 45.100 0.088 0.000 0.775 82 G HN 0.414 nan 8.290 nan 0.000 0.547 83 R N 0.157 120.693 120.500 0.059 0.000 2.568 83 R HA 0.181 4.521 4.340 -0.000 0.000 0.288 83 R C 1.598 177.882 176.300 -0.026 0.000 1.077 83 R CA -0.318 55.775 56.100 -0.013 0.000 1.102 83 R CB -0.201 30.087 30.300 -0.021 0.000 1.278 83 R HN 0.659 nan 8.270 nan 0.000 0.560 84 Y N -0.183 120.102 120.300 -0.025 0.000 2.193 84 Y HA -0.245 4.305 4.550 -0.000 0.000 0.285 84 Y C 1.796 177.686 175.900 -0.017 0.000 1.166 84 Y CA 1.121 59.208 58.100 -0.022 0.000 1.181 84 Y CB -0.298 38.148 38.460 -0.024 0.000 0.976 84 Y HN -0.023 nan 8.280 nan 0.000 0.520 85 Q N 1.007 120.318 119.800 -0.815 0.000 2.079 85 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 85 Q C 2.683 178.539 176.000 -0.240 0.000 0.974 85 Q CA 1.488 56.948 55.803 -0.572 0.000 0.840 85 Q CB -0.673 27.681 28.738 -0.640 0.000 0.898 85 Q HN 0.694 nan 8.270 nan 0.000 0.430 86 A N 0.658 123.363 122.820 -0.192 0.000 1.933 86 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 86 A C 2.343 179.889 177.584 -0.063 0.000 1.175 86 A CA 1.915 53.889 52.037 -0.104 0.000 0.628 86 A CB -0.774 18.177 19.000 -0.083 0.000 0.814 86 A HN 0.355 nan 8.150 nan 0.000 0.444 87 T N 0.584 115.109 114.554 -0.048 0.000 2.708 87 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 87 T C 1.811 176.510 174.700 -0.003 0.000 1.037 87 T CA 1.519 63.613 62.100 -0.011 0.000 1.146 87 T CB -0.408 68.471 68.868 0.017 0.000 0.865 87 T HN 0.383 nan 8.240 nan 0.000 0.435 88 L N 1.158 122.381 121.223 0.000 0.000 2.083 88 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 88 L C 2.541 179.410 176.870 -0.002 0.000 1.083 88 L CA 0.954 55.803 54.840 0.015 0.000 0.752 88 L CB -0.678 41.402 42.059 0.036 0.000 0.899 88 L HN 0.208 nan 8.230 nan 0.000 0.433 89 N N 0.453 119.137 118.700 -0.027 0.000 2.166 89 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 89 N C 1.897 177.397 175.510 -0.016 0.000 1.019 89 N CA 1.551 54.585 53.050 -0.026 0.000 0.856 89 N CB -0.332 38.127 38.487 -0.046 0.000 0.993 89 N HN 0.320 nan 8.380 nan 0.000 0.426 90 A N 0.639 123.450 122.820 -0.016 0.000 1.933 90 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 90 A C 2.505 180.089 177.584 -0.000 0.000 1.175 90 A CA 1.155 53.187 52.037 -0.009 0.000 0.628 90 A CB -0.723 18.271 19.000 -0.010 0.000 0.814 90 A HN 0.102 nan 8.150 nan 0.000 0.444 91 V N -0.001 119.916 119.914 0.005 0.000 2.295 91 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 91 V C 2.659 178.762 176.094 0.015 0.000 1.049 91 V CA 2.324 64.632 62.300 0.013 0.000 1.024 91 V CB -0.763 31.072 31.823 0.020 0.000 0.648 91 V HN 0.693 nan 8.190 nan 0.000 0.447 92 R N 0.143 120.651 120.500 0.014 0.000 2.096 92 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 92 R C 2.267 178.573 176.300 0.010 0.000 1.127 92 R CA 1.670 57.779 56.100 0.015 0.000 0.968 92 R CB -0.447 29.861 30.300 0.014 0.000 0.861 92 R HN 0.488 nan 8.270 nan 0.000 0.440 93 A N 0.778 123.601 122.820 0.004 0.000 1.877 93 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 93 A C 2.398 179.985 177.584 0.005 0.000 1.186 93 A CA 1.714 53.752 52.037 0.002 0.000 0.620 93 A CB -0.947 18.051 19.000 -0.003 0.000 0.822 93 A HN 0.542 nan 8.150 nan 0.000 0.443 94 A N -0.248 122.576 122.820 0.006 0.000 1.908 94 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 94 A C 2.097 179.688 177.584 0.012 0.000 1.181 94 A CA 1.635 53.677 52.037 0.009 0.000 0.627 94 A CB -0.679 18.327 19.000 0.010 0.000 0.818 94 A HN 0.490 nan 8.150 nan 0.000 0.445 95 L N -0.071 121.162 121.223 0.016 0.000 2.465 95 L HA -0.029 4.311 4.340 -0.000 0.000 0.224 95 L C 0.939 177.818 176.870 0.016 0.000 1.145 95 L CA 0.064 54.916 54.840 0.019 0.000 0.834 95 L CB -0.285 41.789 42.059 0.025 0.000 0.944 95 L HN 0.233 nan 8.230 nan 0.000 0.451 129 L N 1.365 122.610 121.223 0.037 0.000 2.465 129 L HA 0.008 4.348 4.340 -0.000 0.000 0.224 129 L C 1.098 178.006 176.870 0.063 0.000 1.145 129 L CA 1.496 56.364 54.840 0.046 0.000 0.834 129 L CB -0.528 41.551 42.059 0.033 0.000 0.944 129 L HN 0.608 nan 8.230 nan 0.000 0.451 130 D N -0.695 119.752 120.400 0.079 0.000 2.264 130 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 130 D C 1.808 178.187 176.300 0.131 0.000 0.966 130 D CA 0.586 54.649 54.000 0.105 0.000 0.864 130 D CB -0.185 40.690 40.800 0.125 0.000 0.933 130 D HN 0.257 nan 8.370 nan 0.000 0.499 131 N N 0.299 119.083 118.700 0.141 0.000 2.166 131 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 131 N C 1.815 177.390 175.510 0.108 0.000 1.019 131 N CA 0.535 53.676 53.050 0.151 0.000 0.856 131 N CB -0.194 38.377 38.487 0.140 0.000 0.993 131 N HN 0.150 nan 8.380 nan 0.000 0.426 132 V N 1.834 121.797 119.914 0.081 0.000 2.307 132 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 132 V C 2.317 178.446 176.094 0.058 0.000 1.045 132 V CA 1.150 63.486 62.300 0.060 0.000 1.024 132 V CB -0.389 31.463 31.823 0.049 0.000 0.651 132 V HN 0.182 nan 8.190 nan 0.000 0.449 133 I N 0.129 120.737 120.570 0.064 0.000 2.226 133 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 133 I C 2.531 178.685 176.117 0.062 0.000 1.100 133 I CA 1.919 63.255 61.300 0.060 0.000 1.374 133 I CB -0.676 37.362 38.000 0.065 0.000 1.057 133 I HN 0.313 nan 8.210 nan 0.000 0.413 134 T N 0.706 115.305 114.554 0.075 0.000 2.788 134 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 134 T C 2.087 176.811 174.700 0.040 0.000 1.044 134 T CA 1.315 63.450 62.100 0.059 0.000 1.139 134 T CB -0.343 68.568 68.868 0.072 0.000 0.867 134 T HN 0.476 nan 8.240 nan 0.000 0.454 135 A N 1.262 124.115 122.820 0.056 0.000 1.883 135 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 135 A C 2.284 179.877 177.584 0.015 0.000 1.186 135 A CA 1.398 53.457 52.037 0.038 0.000 0.624 135 A CB -0.784 18.239 19.000 0.039 0.000 0.822 135 A HN 0.529 nan 8.150 nan 0.000 0.444 136 I N -0.903 119.680 120.570 0.022 0.000 2.233 136 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 136 I C 2.569 178.698 176.117 0.019 0.000 1.093 136 I CA 1.537 62.848 61.300 0.018 0.000 1.380 136 I CB -0.383 37.633 38.000 0.027 0.000 1.067 136 I HN 0.536 nan 8.210 nan 0.000 0.413 137 E N 1.604 121.824 120.200 0.033 0.000 2.070 137 E HA -0.306 4.044 4.350 -0.000 0.000 0.197 137 E C 2.227 178.814 176.600 -0.021 0.000 1.004 137 E CA 1.768 58.190 56.400 0.037 0.000 0.805 137 E CB -0.048 29.684 29.700 0.055 0.000 0.744 137 E HN 0.497 nan 8.360 nan 0.000 0.451 138 A N 0.831 123.629 122.820 -0.037 0.000 1.969 138 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 138 A C 2.306 179.837 177.584 -0.089 0.000 1.169 138 A CA 1.683 53.673 52.037 -0.079 0.000 0.635 138 A CB -0.505 18.447 19.000 -0.079 0.000 0.810 138 A HN 0.423 nan 8.150 nan 0.000 0.445 139 A N -0.439 122.345 122.820 -0.059 0.000 1.930 139 A HA 0.142 4.462 4.320 -0.000 0.000 0.215 139 A C 2.109 179.653 177.584 -0.066 0.000 1.176 139 A CA 1.114 53.116 52.037 -0.058 0.000 0.632 139 A CB -0.460 18.518 19.000 -0.036 0.000 0.819 139 A HN 0.433 nan 8.150 nan 0.000 0.445 140 L N -0.558 120.632 121.223 -0.056 0.000 2.056 140 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 140 L C 2.472 179.243 176.870 -0.164 0.000 1.078 140 L CA 0.923 55.723 54.840 -0.067 0.000 0.749 140 L CB -0.469 41.592 42.059 0.003 0.000 0.901 140 L HN 0.355 nan 8.230 nan 0.000 0.433 141 L N -0.605 120.490 121.223 -0.213 0.000 2.093 141 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 141 L C 2.296 179.032 176.870 -0.223 0.000 1.085 141 L CA 0.882 55.547 54.840 -0.292 0.000 0.755 141 L CB -0.540 41.357 42.059 -0.271 0.000 0.904 141 L HN 0.289 nan 8.230 nan 0.000 0.435 142 D N 0.584 120.874 120.400 -0.184 0.000 2.092 142 D HA -0.197 4.442 4.640 -0.000 0.000 0.193 142 D C 2.288 178.502 176.300 -0.143 0.000 0.994 142 D CA 1.503 55.400 54.000 -0.172 0.000 0.828 142 D CB -0.032 40.686 40.800 -0.136 0.000 0.963 142 D HN 0.194 nan 8.370 nan 0.000 0.450 143 L N 0.073 121.233 121.223 -0.105 0.000 2.017 143 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 143 L C 2.800 179.648 176.870 -0.037 0.000 1.073 143 L CA 0.577 55.384 54.840 -0.055 0.000 0.745 143 L CB -0.416 41.631 42.059 -0.021 0.000 0.894 143 L HN 0.166 nan 8.230 nan 0.000 0.432 144 L N -0.227 120.943 121.223 -0.089 0.000 2.012 144 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 144 L C 2.507 179.357 176.870 -0.033 0.000 1.073 144 L CA 1.797 56.597 54.840 -0.067 0.000 0.748 144 L CB -0.822 41.112 42.059 -0.209 0.000 0.891 144 L HN 0.346 nan 8.230 nan 0.000 0.431 145 G N -1.207 107.530 108.800 -0.106 0.000 2.442 145 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 145 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 145 G C 1.399 176.249 174.900 -0.084 0.000 1.141 145 G CA 0.520 45.561 45.100 -0.100 0.000 0.763 145 G HN 0.464 nan 8.290 nan 0.000 0.554 146 Q N -0.920 118.809 119.800 -0.118 0.000 2.079 146 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 146 Q C 2.300 178.265 176.000 -0.059 0.000 0.974 146 Q CA 1.079 56.762 55.803 -0.200 0.000 0.840 146 Q CB -0.311 28.143 28.738 -0.473 0.000 0.898 146 Q HN 0.689 nan 8.270 nan 0.000 0.430 147 H N 0.500 119.561 119.070 -0.016 0.000 2.423 147 H HA -0.033 4.523 4.556 -0.000 0.000 0.297 147 H C 1.488 176.835 175.328 0.032 0.000 1.075 147 H CA 0.970 57.067 56.048 0.082 0.000 1.342 147 H CB 0.253 30.063 29.762 0.080 0.000 1.395 147 H HN 0.200 nan 8.280 nan 0.000 0.530 148 L N 0.202 121.410 121.223 -0.025 0.000 2.607 148 L HA 0.047 4.387 4.340 -0.000 0.000 0.228 148 L C 0.271 177.100 176.870 -0.068 0.000 1.123 148 L CA 0.393 55.189 54.840 -0.073 0.000 0.890 148 L CB 0.207 42.267 42.059 0.001 0.000 1.103 148 L HN 0.196 nan 8.230 nan 0.000 0.468 149 D N 0.685 121.048 120.400 -0.063 0.000 2.723 149 D HA -0.149 4.491 4.640 -0.000 0.000 0.236 149 D C -0.446 175.829 176.300 -0.042 0.000 1.138 149 D CA 0.853 54.820 54.000 -0.054 0.000 0.676 149 D CB -0.494 40.276 40.800 -0.050 0.000 1.069 149 D HN 0.174 nan 8.370 nan 0.000 0.430 150 V N -3.951 115.938 119.914 -0.043 0.000 3.040 150 V HA 0.889 5.009 4.120 -0.000 0.000 0.312 150 V C -2.479 173.597 176.094 -0.030 0.000 1.115 150 V CA -1.873 60.410 62.300 -0.029 0.000 0.998 150 V CB 2.202 34.010 31.823 -0.025 0.000 1.042 150 V HN -0.049 nan 8.190 nan 0.000 0.433 151 P HA 0.180 nan 4.420 nan 0.000 0.272 151 P C 1.096 178.391 177.300 -0.010 0.000 1.223 151 P CA 0.090 63.229 63.100 0.066 0.000 0.784 151 P CB 1.382 33.204 31.700 0.203 0.000 0.923 152 V N 2.404 122.202 119.914 -0.193 0.000 2.380 152 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 152 V C 2.650 178.738 176.094 -0.010 0.000 1.063 152 V CA 2.862 65.040 62.300 -0.205 0.000 1.055 152 V CB -1.736 29.829 31.823 -0.429 0.000 0.657 152 V HN 0.695 nan 8.190 nan 0.000 0.455 153 A N -0.145 122.805 122.820 0.217 0.000 2.024 153 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 153 A C 2.297 179.894 177.584 0.021 0.000 1.164 153 A CA 1.914 54.018 52.037 0.111 0.000 0.643 153 A CB -0.588 18.466 19.000 0.090 0.000 0.806 153 A HN 0.639 nan 8.150 nan 0.000 0.451 154 A N -1.044 121.786 122.820 0.017 0.000 2.209 154 A HA 0.295 4.615 4.320 -0.000 0.000 0.212 154 A C 1.724 179.296 177.584 -0.020 0.000 1.158 154 A CA 0.919 52.951 52.037 -0.008 0.000 0.742 154 A CB -0.333 18.663 19.000 -0.007 0.000 0.790 154 A HN 0.474 nan 8.150 nan 0.000 0.472 155 L N -1.011 120.192 121.223 -0.032 0.000 2.664 155 L HA 0.314 4.654 4.340 -0.000 0.000 0.233 155 L C -0.058 176.798 176.870 -0.023 0.000 1.113 155 L CA -0.151 54.664 54.840 -0.040 0.000 0.896 155 L CB 0.079 42.080 42.059 -0.098 0.000 1.163 155 L HN 0.192 nan 8.230 nan 0.000 0.497 156 L N -0.520 120.687 121.223 -0.027 0.000 2.343 156 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 156 L C 1.444 178.292 176.870 -0.036 0.000 1.056 156 L CA -0.132 54.694 54.840 -0.025 0.000 0.804 156 L CB 1.138 43.174 42.059 -0.038 0.000 1.203 156 L HN 0.189 nan 8.230 nan 0.000 0.440 157 G N 2.289 111.069 108.800 -0.034 0.000 2.698 157 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.337 157 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.337 157 G C 0.456 175.329 174.900 -0.046 0.000 1.286 157 G CA 0.821 45.891 45.100 -0.051 0.000 1.000 157 G HN 0.914 nan 8.290 nan 0.000 0.547 158 E N 1.428 121.592 120.200 -0.060 0.000 2.499 158 E HA 0.462 4.812 4.350 -0.000 0.000 0.207 158 E C 0.966 177.537 176.600 -0.048 0.000 1.034 158 E CA 0.332 56.703 56.400 -0.048 0.000 1.098 158 E CB -0.141 29.529 29.700 -0.051 0.000 1.148 158 E HN 2.150 nan 8.360 nan 0.000 0.447 159 G N 1.633 110.404 108.800 -0.048 0.000 2.725 159 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 159 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 159 G C -0.705 174.163 174.900 -0.052 0.000 1.357 159 G CA -0.355 44.721 45.100 -0.041 0.000 0.866 159 G HN 0.423 nan 8.290 nan 0.000 0.548 160 Q N -0.215 119.560 119.800 -0.041 0.000 2.337 160 Q HA 0.350 4.690 4.340 -0.000 0.000 0.270 160 Q C 0.925 176.891 176.000 -0.056 0.000 1.002 160 Q CA 0.197 55.970 55.803 -0.050 0.000 0.888 160 Q CB 0.404 29.119 28.738 -0.038 0.000 1.222 160 Q HN 0.521 nan 8.270 nan 0.000 0.400 161 Q N 2.647 122.405 119.800 -0.070 0.000 2.280 161 Q HA 0.155 4.495 4.340 -0.000 0.000 0.244 161 Q C -0.264 175.703 176.000 -0.056 0.000 0.847 161 Q CA 0.546 56.309 55.803 -0.067 0.000 0.945 161 Q CB 1.042 29.726 28.738 -0.089 0.000 1.115 161 Q HN 0.692 nan 8.270 nan 0.000 0.513 162 R N -0.993 119.472 120.500 -0.059 0.000 2.710 162 R HA 0.423 4.763 4.340 -0.000 0.000 0.270 162 R C -0.711 175.557 176.300 -0.054 0.000 1.021 162 R CA -0.610 55.461 56.100 -0.049 0.000 0.889 162 R CB 0.648 30.922 30.300 -0.044 0.000 1.243 162 R HN -0.349 nan 8.270 nan 0.000 0.464 163 D N 0.042 120.415 120.400 -0.046 0.000 2.305 163 D HA 0.185 4.825 4.640 -0.000 0.000 0.206 163 D C 0.117 176.384 176.300 -0.054 0.000 0.974 163 D CA 1.032 55.004 54.000 -0.048 0.000 0.871 163 D CB 0.731 41.509 40.800 -0.036 0.000 0.947 163 D HN 0.579 nan 8.370 nan 0.000 0.516 164 A N 0.005 122.797 122.820 -0.047 0.000 2.556 164 A HA 0.584 4.904 4.320 -0.000 0.000 0.294 164 A C -1.223 176.341 177.584 -0.034 0.000 1.091 164 A CA -0.551 51.459 52.037 -0.044 0.000 0.704 164 A CB 1.968 20.947 19.000 -0.035 0.000 1.300 164 A HN -0.111 nan 8.150 nan 0.000 0.406 165 V N 3.464 123.362 119.914 -0.027 0.000 2.378 165 V HA 0.468 4.588 4.120 -0.000 0.000 0.288 165 V C -2.000 174.095 176.094 0.002 0.000 1.016 165 V CA -1.344 60.954 62.300 -0.004 0.000 0.840 165 V CB 1.463 33.291 31.823 0.008 0.000 0.994 165 V HN 0.877 nan 8.190 nan 0.000 0.431 169 A N 1.031 123.007 122.820 -1.406 0.000 2.302 169 A HA 0.566 4.886 4.320 -0.000 0.000 0.295 169 A C -1.115 176.208 177.584 -0.434 0.000 1.235 169 A CA -0.137 51.092 52.037 -1.347 0.000 0.876 169 A CB -0.224 18.102 19.000 -1.123 0.000 1.133 169 A HN 0.735 nan 8.150 nan 0.000 0.533 170 Y N 4.658 124.750 120.300 -0.347 0.000 2.595 170 Y HA 0.426 4.976 4.550 -0.000 0.000 0.347 170 Y C -0.298 175.753 175.900 0.252 0.000 1.025 170 Y CA -1.141 56.911 58.100 -0.079 0.000 1.295 170 Y CB 0.033 38.465 38.460 -0.048 0.000 1.147 170 Y HN 0.536 nan 8.280 nan 0.000 0.515 171 L N 5.608 127.053 121.223 0.370 0.000 2.343 171 L HA 0.502 4.841 4.340 -0.000 0.000 0.275 171 L C -0.939 175.994 176.870 0.106 0.000 1.056 171 L CA -0.621 54.446 54.840 0.379 0.000 0.804 171 L CB 1.084 43.245 42.059 0.171 0.000 1.203 171 L HN 0.329 nan 8.230 nan 0.000 0.440 172 F N -0.380 119.625 119.950 0.091 0.000 2.591 172 F HA 0.423 4.950 4.527 -0.000 0.000 0.309 172 F C -0.276 175.418 175.800 -0.176 0.000 1.098 172 F CA -0.695 57.207 58.000 -0.163 0.000 0.937 172 F CB 1.421 40.154 39.000 -0.445 0.000 1.250 172 F HN 0.152 nan 8.300 nan 0.000 0.447 173 Y N 2.950 123.336 120.300 0.144 0.000 2.578 173 Y HA 0.382 4.932 4.550 -0.000 0.000 0.339 173 Y C 0.342 176.262 175.900 0.033 0.000 1.231 173 Y CA 0.131 58.290 58.100 0.099 0.000 1.461 173 Y CB 0.258 38.779 38.460 0.101 0.000 1.323 173 Y HN 0.222 nan 8.280 nan 0.000 0.590 174 I N 1.911 122.574 120.570 0.155 0.000 2.499 174 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 174 I C 0.499 176.604 176.117 -0.020 0.000 1.048 174 I CA -0.861 60.427 61.300 -0.019 0.000 1.062 174 I CB 1.881 39.845 38.000 -0.061 0.000 1.238 174 I HN 0.740 nan 8.210 nan 0.000 0.426 175 G N 2.626 111.374 108.800 -0.088 0.000 2.599 175 G HA2 0.132 4.092 3.960 -0.000 0.000 0.264 175 G HA3 0.132 4.092 3.960 -0.000 0.000 0.264 175 G C -0.629 174.178 174.900 -0.154 0.000 1.200 175 G CA -0.183 44.868 45.100 -0.082 0.000 0.896 175 G HN 0.634 nan 8.290 nan 0.000 0.536 176 D N -0.172 120.159 120.400 -0.115 0.000 2.352 176 D HA 0.041 4.681 4.640 -0.000 0.000 0.245 176 D C 1.931 178.116 176.300 -0.192 0.000 1.224 176 D CA -0.564 53.359 54.000 -0.128 0.000 0.879 176 D CB 0.630 41.389 40.800 -0.068 0.000 1.057 176 D HN 0.489 nan 8.370 nan 0.000 0.491 177 R N 2.547 122.879 120.500 -0.280 0.000 2.159 177 R HA -0.073 4.267 4.340 -0.000 0.000 0.237 177 R C 1.646 177.860 176.300 -0.144 0.000 1.131 177 R CA 1.175 57.076 56.100 -0.331 0.000 0.982 177 R CB -0.522 29.568 30.300 -0.350 0.000 0.868 177 R HN 0.360 nan 8.270 nan 0.000 0.453 178 G N 1.095 109.836 108.800 -0.097 0.000 2.559 178 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 178 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 178 G C 1.299 176.181 174.900 -0.030 0.000 1.126 178 G CA -0.098 44.973 45.100 -0.050 0.000 0.778 178 G HN 0.300 nan 8.290 nan 0.000 0.543 179 R N 0.054 120.532 120.500 -0.036 0.000 2.310 179 R HA 0.120 4.460 4.340 -0.000 0.000 0.202 179 R C 0.716 177.037 176.300 0.035 0.000 0.933 179 R CA 0.697 56.808 56.100 0.018 0.000 1.054 179 R CB 0.134 30.456 30.300 0.037 0.000 0.985 179 R HN 0.408 nan 8.270 nan 0.000 0.489 180 T N -2.259 112.239 114.554 -0.095 0.000 2.916 180 T HA 0.163 4.513 4.350 -0.000 0.000 0.292 180 T C -0.022 174.559 174.700 -0.198 0.000 1.055 180 T CA -1.012 60.880 62.100 -0.347 0.000 1.009 180 T CB 2.124 70.610 68.868 -0.637 0.000 1.118 180 T HN 0.032 nan 8.240 nan 0.000 0.497 181 D N 1.129 121.395 120.400 -0.224 0.000 2.388 181 D HA 0.192 4.832 4.640 -0.000 0.000 0.221 181 D C 0.381 176.619 176.300 -0.103 0.000 1.133 181 D CA -0.399 53.560 54.000 -0.068 0.000 0.831 181 D CB -0.401 40.427 40.800 0.047 0.000 0.962 181 D HN 0.512 nan 8.370 nan 0.000 0.502 182 L N 0.901 122.003 121.223 -0.202 0.000 2.395 182 L HA 0.309 4.649 4.340 -0.000 0.000 0.269 182 L C -1.675 175.085 176.870 -0.184 0.000 1.133 182 L CA -1.881 52.836 54.840 -0.205 0.000 0.812 182 L CB 0.792 42.663 42.059 -0.313 0.000 1.125 182 L HN -0.170 nan 8.230 nan 0.000 0.452 183 P HA 0.057 nan 4.420 nan 0.000 0.225 183 P C -0.836 176.267 177.300 -0.328 0.000 1.768 183 P CA -0.227 62.764 63.100 -0.182 0.000 0.943 183 P CB -0.495 31.163 31.700 -0.071 0.000 1.936 184 Y N 1.530 121.702 120.300 -0.212 0.000 2.610 184 Y HA -0.037 4.513 4.550 -0.000 0.000 0.332 184 Y C 1.993 177.786 175.900 -0.179 0.000 1.201 184 Y CA -0.146 57.818 58.100 -0.227 0.000 1.465 184 Y CB 0.421 38.766 38.460 -0.192 0.000 1.283 184 Y HN 0.233 nan 8.280 nan 0.000 0.563 185 R N 2.030 122.507 120.500 -0.040 0.000 2.784 185 R HA 0.120 4.460 4.340 -0.000 0.000 0.266 185 R C -1.008 175.278 176.300 -0.023 0.000 1.044 185 R CA -0.350 55.720 56.100 -0.050 0.000 1.151 185 R CB 0.496 30.751 30.300 -0.075 0.000 1.037 185 R HN 0.609 nan 8.270 nan 0.000 0.478 186 D N 1.009 121.391 120.400 -0.029 0.000 2.542 186 D HA 0.136 4.776 4.640 -0.000 0.000 0.252 186 D C -0.948 175.337 176.300 -0.024 0.000 1.222 186 D CA -0.485 53.500 54.000 -0.025 0.000 0.895 186 D CB 1.443 42.234 40.800 -0.015 0.000 1.207 186 D HN 0.708 nan 8.370 nan 0.000 0.558 187 E N 2.279 122.463 120.200 -0.028 0.000 2.815 187 E HA 0.268 4.618 4.350 -0.000 0.000 0.211 187 E C 0.910 177.518 176.600 0.014 0.000 1.004 187 E CA -0.355 56.042 56.400 -0.005 0.000 1.173 187 E CB 1.010 30.702 29.700 -0.014 0.000 1.163 187 E HN 0.465 nan 8.360 nan 0.000 0.449 188 A N 0.822 123.643 122.820 0.001 0.000 2.067 188 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 188 A C 1.863 179.454 177.584 0.012 0.000 1.158 188 A CA 0.956 52.994 52.037 0.002 0.000 0.661 188 A CB 0.099 19.096 19.000 -0.005 0.000 0.801 188 A HN 0.116 nan 8.150 nan 0.000 0.452 189 Q N -0.374 119.436 119.800 0.018 0.000 2.280 189 Q HA 0.343 4.683 4.340 -0.000 0.000 0.201 189 Q C 0.535 176.556 176.000 0.034 0.000 0.890 189 Q CA 0.461 56.277 55.803 0.021 0.000 0.947 189 Q CB -0.205 28.544 28.738 0.018 0.000 1.081 189 Q HN 0.572 nan 8.270 nan 0.000 0.502 190 A N 1.431 124.283 122.820 0.053 0.000 2.462 190 A HA 0.085 4.405 4.320 -0.000 0.000 0.243 190 A C 1.366 178.975 177.584 0.042 0.000 1.076 190 A CA -0.062 52.027 52.037 0.086 0.000 0.773 190 A CB 0.317 19.428 19.000 0.185 0.000 1.010 190 A HN 0.341 nan 8.150 nan 0.000 0.493 191 R N 1.237 121.753 120.500 0.028 0.000 2.096 191 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 191 R C 0.183 176.440 176.300 -0.071 0.000 1.127 191 R CA 1.808 57.898 56.100 -0.016 0.000 0.968 191 R CB -0.403 29.888 30.300 -0.015 0.000 0.861 191 R HN 0.650 nan 8.270 nan 0.000 0.440 192 T N 3.000 117.468 114.554 -0.145 0.000 2.752 192 T HA 0.131 4.481 4.350 -0.000 0.000 0.295 192 T C -2.044 172.542 174.700 -0.190 0.000 0.923 192 T CA -1.400 60.502 62.100 -0.330 0.000 1.112 192 T CB 1.645 69.928 68.868 -0.975 0.000 0.884 192 T HN 0.151 nan 8.240 nan 0.000 0.525 193 P HA -0.115 nan 4.420 nan 0.000 0.216 193 P C 1.497 178.840 177.300 0.072 0.000 1.150 193 P CA 0.759 63.856 63.100 -0.006 0.000 0.837 193 P CB 0.081 31.787 31.700 0.011 0.000 0.786 194 W N -0.380 120.842 121.300 -0.131 0.000 2.335 194 W HA -0.224 4.436 4.660 -0.000 0.000 0.311 194 W C 1.325 177.936 176.519 0.154 0.000 1.213 194 W CA 0.958 58.289 57.345 -0.024 0.000 1.274 194 W CB -0.668 28.750 29.460 -0.069 0.000 1.148 194 W HN -0.121 nan 8.180 nan 0.000 0.498 195 F N 1.197 121.025 119.950 -0.204 0.000 2.171 195 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 195 F C 2.579 178.218 175.800 -0.267 0.000 1.090 195 F CA 1.258 59.073 58.000 -0.308 0.000 1.293 195 F CB -1.419 37.511 39.000 -0.117 0.000 1.013 195 F HN -0.043 nan 8.300 nan 0.000 0.486 196 R N -0.357 120.159 120.500 0.026 0.000 2.075 196 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 196 R C 2.133 178.384 176.300 -0.081 0.000 1.126 196 R CA 1.058 57.147 56.100 -0.018 0.000 0.963 196 R CB -0.866 29.436 30.300 0.003 0.000 0.858 196 R HN 0.224 nan 8.270 nan 0.000 0.435 197 L N 1.998 123.151 121.223 -0.116 0.000 2.156 197 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 197 L C 2.206 178.940 176.870 -0.227 0.000 1.095 197 L CA 1.507 56.281 54.840 -0.110 0.000 0.770 197 L CB -0.257 41.808 42.059 0.010 0.000 0.914 197 L HN 0.064 nan 8.230 nan 0.000 0.439 198 R N -1.345 118.846 120.500 -0.516 0.000 2.339 198 R HA 0.025 4.365 4.340 -0.000 0.000 0.199 198 R C 0.556 176.790 176.300 -0.109 0.000 1.018 198 R CA 1.063 56.866 56.100 -0.495 0.000 1.036 198 R CB -0.598 29.079 30.300 -1.039 0.000 0.899 198 R HN 0.377 nan 8.270 nan 0.000 0.473 199 N N 0.766 119.388 118.700 -0.131 0.000 2.204 199 N HA 0.076 4.816 4.740 -0.000 0.000 0.219 199 N C -0.805 174.648 175.510 -0.095 0.000 1.151 199 N CA 0.004 52.993 53.050 -0.101 0.000 0.867 199 N CB 0.888 39.319 38.487 -0.093 0.000 1.043 199 N HN 0.376 nan 8.380 nan 0.000 0.516 200 E N 1.306 121.465 120.200 -0.068 0.000 2.191 200 E HA 0.114 4.464 4.350 -0.000 0.000 0.278 200 E C -0.262 176.318 176.600 -0.034 0.000 0.972 200 E CA -0.518 55.852 56.400 -0.048 0.000 0.804 200 E CB 1.902 31.588 29.700 -0.024 0.000 1.110 200 E HN 0.114 nan 8.360 nan 0.000 0.394 201 E N 1.555 121.729 120.200 -0.044 0.000 2.708 201 E HA -0.012 4.338 4.350 -0.000 0.000 0.260 201 E C -1.308 175.306 176.600 0.022 0.000 0.937 201 E CA 0.155 56.540 56.400 -0.025 0.000 0.953 201 E CB 0.358 30.039 29.700 -0.032 0.000 0.915 201 E HN 0.483 nan 8.360 nan 0.000 0.487 202 A N 5.695 128.552 122.820 0.062 0.000 2.530 202 A HA 0.382 4.702 4.320 -0.000 0.000 0.279 202 A C -0.294 177.416 177.584 0.209 0.000 1.109 202 A CA -0.609 51.498 52.037 0.116 0.000 0.763 202 A CB 0.606 19.685 19.000 0.132 0.000 1.257 202 A HN 0.668 nan 8.150 nan 0.000 0.424 203 L N 1.685 123.008 121.223 0.167 0.000 3.086 203 L HA 0.232 4.572 4.340 -0.000 0.000 0.274 203 L C 0.735 177.698 176.870 0.155 0.000 1.184 203 L CA 0.453 55.379 54.840 0.144 0.000 1.002 203 L CB 0.836 42.855 42.059 -0.066 0.000 1.383 203 L HN 0.782 nan 8.230 nan 0.000 0.582 204 T N -5.368 109.305 114.554 0.198 0.000 2.916 204 T HA 0.445 4.795 4.350 -0.000 0.000 0.292 204 T C -2.323 172.481 174.700 0.173 0.000 1.055 204 T CA -1.876 60.312 62.100 0.146 0.000 1.009 204 T CB 2.228 71.136 68.868 0.067 0.000 1.118 204 T HN -0.344 nan 8.240 nan 0.000 0.497 205 P HA -0.080 nan 4.420 nan 0.000 0.216 205 P C 1.706 179.035 177.300 0.049 0.000 1.153 205 P CA 1.763 64.915 63.100 0.087 0.000 0.858 205 P CB -0.289 31.447 31.700 0.060 0.000 0.789 206 A N -0.112 122.735 122.820 0.045 0.000 1.940 206 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 206 A C 2.328 179.938 177.584 0.044 0.000 1.176 206 A CA 2.191 54.247 52.037 0.032 0.000 0.631 206 A CB -1.586 17.429 19.000 0.025 0.000 0.814 206 A HN 0.211 nan 8.150 nan 0.000 0.446 207 A N -0.219 122.639 122.820 0.063 0.000 1.930 207 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 207 A C 1.977 179.608 177.584 0.079 0.000 1.175 207 A CA 1.488 53.571 52.037 0.077 0.000 0.627 207 A CB -0.414 18.642 19.000 0.094 0.000 0.815 207 A HN 0.414 nan 8.150 nan 0.000 0.443 208 I N -0.007 120.590 120.570 0.045 0.000 2.252 208 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 208 I C 2.917 179.045 176.117 0.017 0.000 1.102 208 I CA 1.356 62.656 61.300 -0.001 0.000 1.385 208 I CB -1.636 36.301 38.000 -0.105 0.000 1.064 208 I HN 0.353 nan 8.210 nan 0.000 0.414 209 A N 1.017 123.843 122.820 0.010 0.000 1.940 209 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 209 A C 2.468 180.091 177.584 0.064 0.000 1.176 209 A CA 1.335 53.377 52.037 0.008 0.000 0.631 209 A CB -0.559 18.434 19.000 -0.013 0.000 0.814 209 A HN 0.331 nan 8.150 nan 0.000 0.446 210 R N -0.996 119.551 120.500 0.079 0.000 2.081 210 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 210 R C 2.518 178.926 176.300 0.180 0.000 1.131 210 R CA 1.605 57.773 56.100 0.114 0.000 0.960 210 R CB -0.351 30.011 30.300 0.103 0.000 0.856 210 R HN 0.750 nan 8.270 nan 0.000 0.436 211 Q N 0.278 120.200 119.800 0.204 0.000 2.050 211 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 211 Q C 2.140 178.269 176.000 0.216 0.000 0.980 211 Q CA 1.721 57.712 55.803 0.314 0.000 0.840 211 Q CB -0.101 28.832 28.738 0.324 0.000 0.898 211 Q HN 0.371 nan 8.270 nan 0.000 0.424 212 A N 1.056 123.970 122.820 0.157 0.000 1.873 212 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 212 A C 1.790 179.546 177.584 0.287 0.000 1.193 212 A CA 2.001 54.138 52.037 0.167 0.000 0.629 212 A CB -0.728 18.211 19.000 -0.101 0.000 0.826 212 A HN 0.538 nan 8.150 nan 0.000 0.447 213 E N -0.338 120.068 120.200 0.343 0.000 2.058 213 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 213 E C 2.297 179.034 176.600 0.228 0.000 0.997 213 E CA 1.094 57.727 56.400 0.389 0.000 0.801 213 E CB -0.336 29.500 29.700 0.227 0.000 0.746 213 E HN 0.632 nan 8.360 nan 0.000 0.450 214 A N 1.399 124.323 122.820 0.173 0.000 1.930 214 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 214 A C 2.372 179.909 177.584 -0.078 0.000 1.175 214 A CA 1.471 53.585 52.037 0.129 0.000 0.627 214 A CB -0.501 18.694 19.000 0.324 0.000 0.815 214 A HN 0.283 nan 8.150 nan 0.000 0.443 215 A N -0.506 122.188 122.820 -0.210 0.000 1.898 215 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 215 A C 2.199 179.806 177.584 0.037 0.000 1.181 215 A CA 1.681 53.536 52.037 -0.302 0.000 0.620 215 A CB -0.849 17.965 19.000 -0.310 0.000 0.819 215 A HN 0.356 nan 8.150 nan 0.000 0.442 216 V N 0.558 120.515 119.914 0.071 0.000 2.343 216 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 216 V C 2.303 178.378 176.094 -0.031 0.000 1.051 216 V CA 2.498 64.810 62.300 0.019 0.000 1.036 216 V CB -0.854 30.958 31.823 -0.019 0.000 0.654 216 V HN 0.791 nan 8.190 nan 0.000 0.451 217 D N -0.192 120.204 120.400 -0.006 0.000 2.144 217 D HA -0.245 4.395 4.640 -0.000 0.000 0.199 217 D C 2.320 178.521 176.300 -0.166 0.000 0.984 217 D CA 1.599 55.572 54.000 -0.045 0.000 0.834 217 D CB -0.048 40.747 40.800 -0.008 0.000 0.955 217 D HN 0.346 nan 8.370 nan 0.000 0.465 218 R N -1.857 118.462 120.500 -0.302 0.000 2.112 218 R HA -0.020 4.320 4.340 -0.000 0.000 0.216 218 R C 1.127 177.031 176.300 -0.659 0.000 1.080 218 R CA 0.898 56.663 56.100 -0.559 0.000 0.996 218 R CB -0.000 29.776 30.300 -0.874 0.000 0.902 218 R HN 0.273 nan 8.270 nan 0.000 0.449 219 Y N -1.648 118.447 120.300 -0.342 0.000 2.444 219 Y HA 0.389 4.939 4.550 -0.000 0.000 0.252 219 Y C 1.273 176.791 175.900 -0.638 0.000 1.091 219 Y CA 0.217 57.993 58.100 -0.540 0.000 1.276 219 Y CB 1.307 39.248 38.460 -0.865 0.000 1.170 219 Y HN 0.293 nan 8.280 nan 0.000 0.517 220 G N 0.095 108.694 108.800 -0.335 0.000 2.141 220 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.242 220 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.242 220 G C -0.071 174.658 174.900 -0.285 0.000 0.982 220 G CA -0.409 44.535 45.100 -0.259 0.000 0.662 220 G HN 0.117 nan 8.290 nan 0.000 0.527 221 F N 0.187 120.004 119.950 -0.222 0.000 2.629 221 F HA 0.356 4.883 4.527 -0.000 0.000 0.369 221 F C 1.517 177.036 175.800 -0.468 0.000 1.125 221 F CA 0.937 58.702 58.000 -0.392 0.000 1.330 221 F CB 0.789 39.426 39.000 -0.604 0.000 1.071 221 F HN 0.205 nan 8.300 nan 0.000 0.595 222 A N 1.154 123.844 122.820 -0.218 0.000 2.469 222 A HA 0.276 4.596 4.320 -0.000 0.000 0.245 222 A C -0.440 176.959 177.584 -0.309 0.000 1.221 222 A CA -0.081 51.827 52.037 -0.214 0.000 0.946 222 A CB -0.251 18.709 19.000 -0.067 0.000 1.049 222 A HN 0.720 nan 8.150 nan 0.000 0.529 223 D N -1.565 118.507 120.400 -0.546 0.000 2.619 223 D HA 0.662 5.302 4.640 -0.000 0.000 0.241 223 D C -1.120 174.684 176.300 -0.827 0.000 1.087 223 D CA -0.071 53.672 54.000 -0.427 0.000 0.851 223 D CB 1.666 42.341 40.800 -0.208 0.000 1.474 223 D HN 0.127 nan 8.370 nan 0.000 0.478 224 F N 0.587 120.421 119.950 -0.193 0.000 2.588 224 F HA 0.533 5.060 4.527 -0.000 0.000 0.314 224 F C -0.108 175.541 175.800 -0.251 0.000 1.069 224 F CA -1.087 56.766 58.000 -0.244 0.000 0.931 224 F CB 2.023 40.907 39.000 -0.194 0.000 1.260 224 F HN 0.009 nan 8.300 nan 0.000 0.465 225 K N 2.161 122.511 120.400 -0.085 0.000 2.443 225 K HA 0.685 5.005 4.320 -0.000 0.000 0.252 225 K C -2.179 174.364 176.600 -0.095 0.000 0.933 225 K CA -0.805 55.371 56.287 -0.184 0.000 0.792 225 K CB 2.020 34.275 32.500 -0.409 0.000 1.185 225 K HN 0.629 nan 8.250 nan 0.000 0.425 226 L N 3.727 124.884 121.223 -0.109 0.000 2.282 226 L HA 0.446 4.786 4.340 -0.000 0.000 0.288 226 L C -0.719 176.062 176.870 -0.148 0.000 1.033 226 L CA -0.258 54.505 54.840 -0.127 0.000 0.807 226 L CB 1.120 43.104 42.059 -0.124 0.000 1.209 226 L HN 0.627 nan 8.230 nan 0.000 0.423 227 K N 3.639 123.865 120.400 -0.291 0.000 2.363 227 K HA 0.530 4.850 4.320 -0.000 0.000 0.289 227 K C 0.190 176.739 176.600 -0.086 0.000 1.063 227 K CA 0.465 56.574 56.287 -0.297 0.000 0.967 227 K CB 0.313 32.284 32.500 -0.882 0.000 0.987 227 K HN 0.835 nan 8.250 nan 0.000 0.473 228 G N 1.813 110.603 108.800 -0.017 0.000 2.857 228 G HA2 0.473 4.433 3.960 -0.000 0.000 0.217 228 G HA3 0.473 4.433 3.960 -0.000 0.000 0.217 228 G C 0.353 175.292 174.900 0.065 0.000 1.357 228 G CA -0.559 44.593 45.100 0.087 0.000 1.033 228 G HN 1.039 nan 8.290 nan 0.000 0.571 229 G N -2.300 106.534 108.800 0.057 0.000 2.160 229 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.251 229 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.251 229 G C 0.095 175.076 174.900 0.135 0.000 1.008 229 G CA 0.529 45.665 45.100 0.061 0.000 0.724 229 G HN 1.103 nan 8.290 nan 0.000 0.514 233 G N 0.879 109.723 108.800 0.073 0.000 2.513 233 G HA2 0.038 3.998 3.960 -0.000 0.000 0.219 233 G HA3 0.038 3.998 3.960 -0.000 0.000 0.219 233 G C 1.625 176.492 174.900 -0.055 0.000 1.160 233 G CA 2.076 47.154 45.100 -0.038 0.000 0.767 233 G HN 1.996 nan 8.290 nan 0.000 0.571 234 A N 0.752 123.517 122.820 -0.092 0.000 1.933 234 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 234 A C 2.093 179.685 177.584 0.012 0.000 1.175 234 A CA 2.118 54.123 52.037 -0.054 0.000 0.628 234 A CB -0.352 18.613 19.000 -0.058 0.000 0.814 234 A HN 0.311 nan 8.150 nan 0.000 0.444 235 D N 0.204 120.627 120.400 0.037 0.000 2.144 235 D HA -0.034 4.606 4.640 -0.000 0.000 0.200 235 D C 0.933 177.313 176.300 0.133 0.000 0.978 235 D CA 0.615 54.653 54.000 0.064 0.000 0.833 235 D CB -0.191 40.632 40.800 0.038 0.000 0.961 235 D HN 0.647 nan 8.370 nan 0.000 0.470 239 A N 1.718 124.579 122.820 0.069 0.000 1.929 239 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 239 A C 1.944 179.523 177.584 -0.009 0.000 1.176 239 A CA 1.109 53.173 52.037 0.045 0.000 0.628 239 A CB -0.329 18.720 19.000 0.082 0.000 0.816 239 A HN 0.299 nan 8.150 nan 0.000 0.444 240 I N 0.310 120.878 120.570 -0.003 0.000 2.163 240 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 240 I C 2.970 179.057 176.117 -0.051 0.000 1.085 240 I CA 1.496 62.772 61.300 -0.040 0.000 1.347 240 I CB -1.704 36.280 38.000 -0.028 0.000 1.044 240 I HN 0.360 nan 8.210 nan 0.000 0.408 241 A N 0.974 123.776 122.820 -0.030 0.000 1.917 241 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 241 A C 2.574 180.142 177.584 -0.027 0.000 1.182 241 A CA 2.400 54.423 52.037 -0.023 0.000 0.633 241 A CB -0.864 18.136 19.000 0.001 0.000 0.819 241 A HN 0.449 nan 8.150 nan 0.000 0.448 242 A N -0.221 122.582 122.820 -0.027 0.000 1.902 242 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 242 A C 2.115 179.658 177.584 -0.068 0.000 1.181 242 A CA 1.504 53.519 52.037 -0.037 0.000 0.623 242 A CB -0.602 18.386 19.000 -0.020 0.000 0.818 242 A HN 0.514 nan 8.150 nan 0.000 0.443 243 I N -0.531 119.981 120.570 -0.098 0.000 2.226 243 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 243 I C 2.257 178.310 176.117 -0.107 0.000 1.100 243 I CA 1.269 62.468 61.300 -0.168 0.000 1.374 243 I CB -0.184 37.630 38.000 -0.310 0.000 1.057 243 I HN 0.159 nan 8.210 nan 0.000 0.413 244 K N 0.853 121.212 120.400 -0.070 0.000 2.217 244 K HA 0.026 4.346 4.320 -0.000 0.000 0.202 244 K C 2.187 178.778 176.600 -0.016 0.000 1.051 244 K CA 1.186 57.465 56.287 -0.013 0.000 0.952 244 K CB -0.302 32.194 32.500 -0.008 0.000 0.736 244 K HN 0.294 nan 8.250 nan 0.000 0.453 245 A N 1.025 123.819 122.820 -0.044 0.000 1.902 245 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 245 A C 2.563 180.065 177.584 -0.136 0.000 1.181 245 A CA 1.657 53.656 52.037 -0.063 0.000 0.623 245 A CB -0.923 18.043 19.000 -0.056 0.000 0.818 245 A HN 0.361 nan 8.150 nan 0.000 0.443 246 C N -2.478 116.695 119.300 -0.212 0.000 2.457 246 C HA 0.136 4.596 4.460 -0.000 0.000 0.278 246 C C 0.486 175.012 174.990 -0.772 0.000 1.309 246 C CA 0.152 58.870 59.018 -0.499 0.000 1.735 246 C CB -1.239 26.160 27.740 -0.568 0.000 1.992 246 C HN 0.479 nan 8.230 nan 0.000 0.493 247 F N 0.069 119.988 119.950 -0.052 0.000 2.686 247 F HA 0.334 4.861 4.527 -0.000 0.000 0.365 247 F C -1.950 173.867 175.800 0.028 0.000 1.196 247 F CA -1.894 56.115 58.000 0.016 0.000 1.198 247 F CB 0.212 39.261 39.000 0.081 0.000 1.454 247 F HN -0.052 nan 8.300 nan 0.000 0.539 248 P HA -0.110 nan 4.420 nan 0.000 0.220 248 P C 0.724 178.096 177.300 0.119 0.000 1.148 248 P CA 1.403 64.559 63.100 0.094 0.000 0.803 248 P CB 0.354 32.086 31.700 0.054 0.000 0.782 249 D N -1.418 119.073 120.400 0.152 0.000 2.349 249 D HA 0.159 4.799 4.640 -0.000 0.000 0.214 249 D C 0.823 177.212 176.300 0.147 0.000 1.063 249 D CA 0.062 54.140 54.000 0.130 0.000 0.847 249 D CB 0.016 40.883 40.800 0.112 0.000 0.933 249 D HN 0.072 nan 8.370 nan 0.000 0.513 250 A N 0.922 123.869 122.820 0.211 0.000 2.386 250 A HA 0.341 4.661 4.320 -0.000 0.000 0.248 250 A C 0.450 178.131 177.584 0.162 0.000 1.082 250 A CA -0.221 51.953 52.037 0.229 0.000 0.789 250 A CB 0.488 19.763 19.000 0.459 0.000 1.025 250 A HN -0.014 nan 8.150 nan 0.000 0.490 251 R N 0.379 120.953 120.500 0.123 0.000 2.254 251 R HA 0.528 4.868 4.340 -0.000 0.000 0.318 251 R C -0.210 176.135 176.300 0.076 0.000 1.031 251 R CA 0.149 56.297 56.100 0.080 0.000 0.905 251 R CB 1.382 31.727 30.300 0.075 0.000 1.050 251 R HN 0.806 nan 8.270 nan 0.000 0.456 252 A N 1.997 124.820 122.820 0.005 0.000 2.374 252 A HA 0.680 5.000 4.320 -0.000 0.000 0.317 252 A C -0.629 176.809 177.584 -0.243 0.000 1.094 252 A CA -0.555 51.456 52.037 -0.043 0.000 0.765 252 A CB 2.241 21.234 19.000 -0.011 0.000 1.268 252 A HN 0.561 nan 8.150 nan 0.000 0.438 253 T N 0.193 114.558 114.554 -0.316 0.000 2.883 253 T HA 0.615 4.965 4.350 -0.000 0.000 0.296 253 T C -1.846 172.709 174.700 -0.241 0.000 1.117 253 T CA -0.332 61.502 62.100 -0.443 0.000 1.006 253 T CB 1.159 69.453 68.868 -0.957 0.000 1.191 253 T HN 1.135 nan 8.240 nan 0.000 0.508 254 L N 2.714 123.830 121.223 -0.177 0.000 2.362 254 L HA 0.809 5.149 4.340 -0.000 0.000 0.271 254 L C -1.482 175.300 176.870 -0.147 0.000 1.002 254 L CA -0.346 54.433 54.840 -0.102 0.000 0.818 254 L CB 2.049 44.119 42.059 0.020 0.000 1.298 254 L HN 0.681 nan 8.230 nan 0.000 0.420 255 D N 5.352 125.662 120.400 -0.150 0.000 2.408 255 D HA 0.482 5.122 4.640 -0.000 0.000 0.261 255 D C -2.329 173.841 176.300 -0.217 0.000 1.190 255 D CA -1.860 52.035 54.000 -0.174 0.000 0.910 255 D CB 1.817 42.564 40.800 -0.089 0.000 1.097 255 D HN 0.321 nan 8.370 nan 0.000 0.522 256 P HA 0.184 nan 4.420 nan 0.000 0.256 256 P C -0.599 176.510 177.300 -0.319 0.000 1.384 256 P CA -0.111 62.705 63.100 -0.472 0.000 0.879 256 P CB -0.383 30.610 31.700 -1.178 0.000 1.403 257 N N -0.224 118.351 118.700 -0.209 0.000 2.727 257 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 257 N C 0.846 176.286 175.510 -0.117 0.000 1.048 257 N CA 0.708 53.698 53.050 -0.099 0.000 0.714 257 N CB -1.552 36.935 38.487 0.001 0.000 0.959 257 N HN 0.357 nan 8.380 nan 0.000 0.544 258 G N -1.957 106.717 108.800 -0.210 0.000 2.153 258 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 258 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 258 G C 1.000 175.824 174.900 -0.128 0.000 0.994 258 G CA 0.617 45.620 45.100 -0.161 0.000 0.698 258 G HN 0.868 nan 8.290 nan 0.000 0.521 259 A N -0.953 121.745 122.820 -0.203 0.000 2.014 259 A HA 0.335 4.655 4.320 -0.000 0.000 0.218 259 A C 1.214 178.850 177.584 0.087 0.000 1.163 259 A CA 1.017 53.010 52.037 -0.073 0.000 0.652 259 A CB -0.176 18.787 19.000 -0.060 0.000 0.808 259 A HN 0.577 nan 8.150 nan 0.000 0.449 260 W N 1.110 122.409 121.300 -0.002 0.000 2.184 260 W HA 0.457 5.117 4.660 -0.000 0.000 0.338 260 W C 0.923 177.444 176.519 0.003 0.000 1.257 260 W CA -0.889 56.458 57.345 0.003 0.000 1.243 260 W CB -0.011 29.452 29.460 0.004 0.000 1.122 260 W HN 0.305 nan 8.180 nan 0.000 0.585 261 S N 1.392 117.239 115.700 0.245 0.000 2.600 261 S HA 0.068 4.538 4.470 -0.000 0.000 0.265 261 S C 0.958 175.661 174.600 0.172 0.000 1.325 261 S CA -0.595 57.697 58.200 0.153 0.000 1.002 261 S CB 0.822 64.082 63.200 0.099 0.000 0.921 261 S HN 0.428 nan 8.310 nan 0.000 0.554 262 L N 0.887 122.190 121.223 0.132 0.000 1.990 262 L HA -0.105 4.234 4.340 -0.000 0.000 0.213 262 L C 1.818 178.779 176.870 0.152 0.000 1.072 262 L CA 2.177 57.110 54.840 0.154 0.000 0.755 262 L CB -1.337 40.778 42.059 0.093 0.000 0.889 262 L HN 0.777 nan 8.230 nan 0.000 0.432 263 D N -0.631 119.823 120.400 0.090 0.000 2.117 263 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 263 D C 2.101 178.429 176.300 0.046 0.000 0.987 263 D CA 1.490 55.525 54.000 0.058 0.000 0.829 263 D CB -0.016 40.802 40.800 0.031 0.000 0.961 263 D HN 0.631 nan 8.370 nan 0.000 0.460 264 E N 0.440 120.667 120.200 0.044 0.000 2.072 264 E HA -0.127 4.222 4.350 -0.000 0.000 0.191 264 E C 1.988 178.549 176.600 -0.066 0.000 0.985 264 E CA 0.993 57.369 56.400 -0.040 0.000 0.801 264 E CB 0.012 29.682 29.700 -0.051 0.000 0.750 264 E HN 0.144 nan 8.360 nan 0.000 0.452 265 A N 0.680 123.584 122.820 0.140 0.000 1.902 265 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 265 A C 2.416 180.228 177.584 0.381 0.000 1.181 265 A CA 1.553 53.798 52.037 0.346 0.000 0.623 265 A CB -0.726 18.577 19.000 0.506 0.000 0.818 265 A HN 0.237 nan 8.150 nan 0.000 0.443 266 V N -0.183 119.901 119.914 0.283 0.000 2.343 266 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 266 V C 3.044 179.156 176.094 0.031 0.000 1.051 266 V CA 1.876 64.244 62.300 0.113 0.000 1.036 266 V CB -1.212 30.633 31.823 0.038 0.000 0.654 266 V HN 0.615 nan 8.190 nan 0.000 0.451 267 A N -0.471 122.351 122.820 0.004 0.000 1.972 267 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 267 A C 2.112 179.657 177.584 -0.064 0.000 1.169 267 A CA 1.558 53.572 52.037 -0.039 0.000 0.635 267 A CB -0.420 18.546 19.000 -0.057 0.000 0.810 267 A HN 0.397 nan 8.150 nan 0.000 0.446 268 L N -1.160 120.000 121.223 -0.105 0.000 2.131 268 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 268 L C 2.241 179.096 176.870 -0.025 0.000 1.087 268 L CA 1.433 56.180 54.840 -0.156 0.000 0.767 268 L CB -1.077 40.720 42.059 -0.437 0.000 0.917 268 L HN 0.519 nan 8.230 nan 0.000 0.441 269 C N -1.831 117.513 119.300 0.073 0.000 2.791 269 C HA 0.163 4.623 4.460 -0.000 0.000 0.288 269 C C 1.575 176.586 174.990 0.035 0.000 1.271 269 C CA -0.734 58.363 59.018 0.131 0.000 1.726 269 C CB -0.274 27.691 27.740 0.375 0.000 2.145 269 C HN 0.321 nan 8.230 nan 0.000 0.572 270 R N 1.325 121.817 120.500 -0.014 0.000 2.486 270 R HA 0.306 4.646 4.340 -0.000 0.000 0.303 270 R C 1.234 177.535 176.300 0.003 0.000 0.958 270 R CA 1.406 57.481 56.100 -0.041 0.000 1.077 270 R CB -0.229 30.042 30.300 -0.048 0.000 0.921 270 R HN 0.600 nan 8.270 nan 0.000 0.406 271 G N 3.320 112.128 108.800 0.013 0.000 2.168 271 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.263 271 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.263 271 G C 0.307 175.291 174.900 0.140 0.000 0.977 271 G CA 0.364 45.499 45.100 0.058 0.000 0.659 271 G HN 0.640 nan 8.290 nan 0.000 0.533 272 Q N 0.004 119.860 119.800 0.093 0.000 2.201 272 Q HA 0.317 4.657 4.340 -0.000 0.000 0.217 272 Q C 2.124 178.102 176.000 -0.037 0.000 0.860 272 Q CA 0.569 56.391 55.803 0.032 0.000 0.984 272 Q CB 0.360 29.087 28.738 -0.018 0.000 1.095 272 Q HN 0.561 nan 8.270 nan 0.000 0.477 273 G N 1.355 110.206 108.800 0.086 0.000 2.462 273 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 273 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 273 G C 1.243 176.183 174.900 0.067 0.000 1.121 273 G CA 0.961 46.104 45.100 0.071 0.000 0.758 273 G HN 0.544 nan 8.290 nan 0.000 0.559 274 H N -0.754 118.332 119.070 0.027 0.000 2.524 274 H HA 0.133 4.688 4.556 -0.000 0.000 0.282 274 H C 1.998 177.342 175.328 0.026 0.000 1.016 274 H CA 0.532 56.595 56.048 0.026 0.000 1.270 274 H CB -0.167 29.606 29.762 0.019 0.000 1.394 274 H HN 0.256 nan 8.280 nan 0.000 0.568 275 L N 0.622 121.532 121.223 -0.522 0.000 2.269 275 L HA 0.267 4.607 4.340 -0.000 0.000 0.200 275 L C 0.829 177.608 176.870 -0.151 0.000 1.069 275 L CA 0.596 55.229 54.840 -0.346 0.000 0.804 275 L CB -0.145 41.666 42.059 -0.413 0.000 0.987 275 L HN 0.114 nan 8.230 nan 0.000 0.468 276 L N -0.605 120.550 121.223 -0.113 0.000 2.265 276 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 276 L C 1.224 178.076 176.870 -0.029 0.000 1.033 276 L CA -0.306 54.491 54.840 -0.071 0.000 0.814 276 L CB 1.396 43.447 42.059 -0.014 0.000 1.203 276 L HN 0.055 nan 8.230 nan 0.000 0.423 277 A N 4.411 127.197 122.820 -0.056 0.000 2.014 277 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 277 A C 0.318 178.008 177.584 0.177 0.000 1.163 277 A CA 1.230 53.298 52.037 0.052 0.000 0.652 277 A CB -0.189 18.857 19.000 0.077 0.000 0.808 277 A HN 0.746 nan 8.150 nan 0.000 0.449 278 Y N -5.503 114.819 120.300 0.036 0.000 2.702 278 Y HA 0.635 5.185 4.550 -0.000 0.000 0.336 278 Y C -0.730 175.205 175.900 0.058 0.000 1.203 278 Y CA -1.450 56.681 58.100 0.051 0.000 1.072 278 Y CB 0.498 38.971 38.460 0.021 0.000 1.327 278 Y HN 0.192 nan 8.280 nan 0.000 0.456 279 A N 1.506 124.483 122.820 0.263 0.000 2.303 279 A HA 0.586 4.906 4.320 -0.000 0.000 0.320 279 A C -0.986 176.667 177.584 0.115 0.000 1.192 279 A CA -0.645 51.469 52.037 0.128 0.000 0.821 279 A CB 1.094 20.210 19.000 0.193 0.000 1.188 279 A HN 0.757 nan 8.150 nan 0.000 0.492 280 E N 2.765 122.981 120.200 0.027 0.000 2.146 280 E HA 0.266 4.616 4.350 -0.000 0.000 0.282 280 E C -0.807 175.719 176.600 -0.124 0.000 0.989 280 E CA -0.544 55.868 56.400 0.020 0.000 0.799 280 E CB 0.398 30.132 29.700 0.056 0.000 1.088 280 E HN 0.651 nan 8.360 nan 0.000 0.397 281 D N 5.411 125.736 120.400 -0.125 0.000 2.779 281 D HA -0.160 4.480 4.640 -0.000 0.000 0.223 281 D C -1.692 174.420 176.300 -0.314 0.000 1.227 281 D CA 0.269 54.162 54.000 -0.178 0.000 0.653 281 D CB -0.314 40.413 40.800 -0.121 0.000 0.973 281 D HN 0.513 nan 8.370 nan 0.000 0.402 282 P HA -0.110 nan 4.420 nan 0.000 0.217 282 P C 0.846 177.955 177.300 -0.318 0.000 1.150 282 P CA 1.079 63.876 63.100 -0.505 0.000 0.832 282 P CB 0.147 31.462 31.700 -0.643 0.000 0.787 283 C N -3.647 115.511 119.300 -0.237 0.000 3.173 283 C HA 0.925 5.385 4.460 -0.000 0.000 0.310 283 C C 0.333 175.288 174.990 -0.059 0.000 1.306 283 C CA -0.479 58.494 59.018 -0.075 0.000 1.426 283 C CB 1.614 29.369 27.740 0.025 0.000 1.800 283 C HN 0.319 nan 8.230 nan 0.000 0.470 284 G N -0.195 108.600 108.800 -0.009 0.000 3.243 284 G HA2 0.887 4.847 3.960 -0.000 0.000 0.248 284 G HA3 0.887 4.847 3.960 -0.000 0.000 0.248 284 G C -3.132 171.794 174.900 0.043 0.000 1.267 284 G CA -1.164 43.942 45.100 0.010 0.000 0.906 284 G HN 0.757 nan 8.290 nan 0.000 0.592 285 P HA 0.162 nan 4.420 nan 0.000 0.265 285 P C -0.815 176.532 177.300 0.078 0.000 1.187 285 P CA 0.688 63.832 63.100 0.074 0.000 0.766 285 P CB 0.707 32.440 31.700 0.054 0.000 0.820 286 E N 0.370 120.640 120.200 0.117 0.000 2.378 286 E HA 0.452 4.802 4.350 -0.000 0.000 0.283 286 E C -0.029 176.678 176.600 0.179 0.000 0.979 286 E CA -0.931 55.537 56.400 0.114 0.000 0.795 286 E CB 0.553 30.311 29.700 0.097 0.000 1.221 286 E HN 0.533 nan 8.360 nan 0.000 0.428 287 G N 1.127 110.002 108.800 0.126 0.000 2.225 287 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.267 287 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.267 287 G C 1.009 175.945 174.900 0.059 0.000 1.024 287 G CA 0.984 46.165 45.100 0.135 0.000 0.784 287 G HN 1.916 nan 8.290 nan 0.000 0.507 288 G N -2.504 106.291 108.800 -0.009 0.000 2.213 288 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.236 288 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.236 288 G C 0.379 175.133 174.900 -0.243 0.000 0.991 288 G CA 0.556 45.562 45.100 -0.156 0.000 0.629 288 G HN 1.252 nan 8.290 nan 0.000 0.517 289 Y N 2.401 122.708 120.300 0.012 0.000 2.299 289 Y HA 0.527 5.077 4.550 -0.000 0.000 0.326 289 Y C 1.356 177.264 175.900 0.013 0.000 1.164 289 Y CA 0.006 58.115 58.100 0.014 0.000 1.234 289 Y CB 1.204 39.678 38.460 0.025 0.000 1.219 289 Y HN 0.375 nan 8.280 nan 0.000 0.497 290 S N 0.669 116.453 115.700 0.139 0.000 2.608 290 S HA 0.213 4.683 4.470 -0.000 0.000 0.261 290 S C 1.452 176.116 174.600 0.106 0.000 1.314 290 S CA -0.336 57.917 58.200 0.088 0.000 0.992 290 S CB 0.995 64.225 63.200 0.050 0.000 0.935 290 S HN 0.942 nan 8.310 nan 0.000 0.564 291 G N 0.423 109.268 108.800 0.076 0.000 2.443 291 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 291 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 291 G C 1.535 176.479 174.900 0.075 0.000 1.131 291 G CA 0.250 45.390 45.100 0.066 0.000 0.775 291 G HN 0.776 nan 8.290 nan 0.000 0.547 292 R N 0.189 120.741 120.500 0.087 0.000 2.073 292 R HA 0.054 4.394 4.340 -0.000 0.000 0.229 292 R C 2.478 178.840 176.300 0.104 0.000 1.120 292 R CA 1.240 57.400 56.100 0.099 0.000 0.967 292 R CB -0.211 30.161 30.300 0.119 0.000 0.862 292 R HN 0.409 nan 8.270 nan 0.000 0.436 293 E N 0.273 120.541 120.200 0.113 0.000 2.051 293 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 293 E C 0.724 177.372 176.600 0.081 0.000 0.991 293 E CA 0.861 57.334 56.400 0.122 0.000 0.799 293 E CB 0.057 29.883 29.700 0.211 0.000 0.748 293 E HN -0.002 nan 8.360 nan 0.000 0.449 297 E N -0.396 119.854 120.200 0.082 0.000 2.077 297 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 297 E C 1.659 178.310 176.600 0.085 0.000 0.989 297 E CA 1.540 57.969 56.400 0.048 0.000 0.800 297 E CB -0.230 29.464 29.700 -0.009 0.000 0.746 297 E HN 0.643 nan 8.360 nan 0.000 0.452 298 F N 2.196 122.156 119.950 0.018 0.000 2.091 298 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 298 F C 2.491 178.316 175.800 0.042 0.000 1.103 298 F CA 1.762 59.786 58.000 0.039 0.000 1.228 298 F CB -0.017 39.021 39.000 0.063 0.000 0.984 298 F HN -0.157 nan 8.300 nan 0.000 0.477 299 R N 0.860 121.458 120.500 0.164 0.000 2.083 299 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 299 R C 2.297 178.564 176.300 -0.055 0.000 1.137 299 R CA 1.985 58.121 56.100 0.060 0.000 0.951 299 R CB -0.627 29.759 30.300 0.144 0.000 0.851 299 R HN 0.328 nan 8.270 nan 0.000 0.434 300 R N -0.492 119.994 120.500 -0.024 0.000 2.115 300 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 300 R C 2.210 178.463 176.300 -0.079 0.000 1.111 300 R CA 1.300 57.379 56.100 -0.035 0.000 0.976 300 R CB -0.355 29.939 30.300 -0.010 0.000 0.870 300 R HN 0.299 nan 8.270 nan 0.000 0.445 301 A N 0.441 123.186 122.820 -0.125 0.000 2.016 301 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 301 A C 2.052 179.521 177.584 -0.192 0.000 1.162 301 A CA 1.620 53.572 52.037 -0.141 0.000 0.662 301 A CB -0.247 18.674 19.000 -0.131 0.000 0.812 301 A HN 0.454 nan 8.150 nan 0.000 0.450 302 T N -6.119 108.252 114.554 -0.307 0.000 2.969 302 T HA 0.406 4.756 4.350 -0.000 0.000 0.250 302 T C 1.530 176.123 174.700 -0.178 0.000 1.021 302 T CA 1.138 63.050 62.100 -0.313 0.000 1.003 302 T CB 0.124 68.616 68.868 -0.628 0.000 1.040 302 T HN 1.590 nan 8.240 nan 0.000 0.492 303 G N 2.028 110.744 108.800 -0.140 0.000 2.175 303 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.265 303 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.265 303 G C 0.083 174.975 174.900 -0.014 0.000 0.979 303 G CA 0.270 45.338 45.100 -0.053 0.000 0.663 303 G HN 0.598 nan 8.290 nan 0.000 0.533 304 I N 1.627 122.177 120.570 -0.033 0.000 2.416 304 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 304 I C -1.781 174.438 176.117 0.171 0.000 1.051 304 I CA -2.817 58.535 61.300 0.087 0.000 1.375 304 I CB 0.563 38.657 38.000 0.157 0.000 1.407 304 I HN -0.136 nan 8.210 nan 0.000 0.516 305 P HA 0.079 nan 4.420 nan 0.000 0.267 305 P C -0.300 177.142 177.300 0.237 0.000 1.200 305 P CA 0.072 63.275 63.100 0.171 0.000 0.772 305 P CB 0.386 32.172 31.700 0.145 0.000 0.855 306 T N -0.414 114.248 114.554 0.179 0.000 2.855 306 T HA 0.813 5.163 4.350 -0.000 0.000 0.281 306 T C -0.519 174.212 174.700 0.052 0.000 1.007 306 T CA -0.867 61.332 62.100 0.166 0.000 1.009 306 T CB 1.687 70.652 68.868 0.163 0.000 0.983 306 T HN 0.381 nan 8.240 nan 0.000 0.455 307 A N 1.487 124.339 122.820 0.052 0.000 2.384 307 A HA 0.942 5.262 4.320 -0.000 0.000 0.312 307 A C -0.079 177.492 177.584 -0.021 0.000 1.113 307 A CA -0.925 51.077 52.037 -0.057 0.000 0.779 307 A CB 2.004 20.917 19.000 -0.145 0.000 1.307 307 A HN 1.082 nan 8.150 nan 0.000 0.436 308 T N 0.385 114.913 114.554 -0.043 0.000 2.932 308 T HA 0.548 4.898 4.350 -0.000 0.000 0.318 308 T C -1.393 173.313 174.700 0.010 0.000 1.265 308 T CA -0.668 61.426 62.100 -0.011 0.000 1.036 308 T CB 0.887 69.760 68.868 0.009 0.000 1.209 308 T HN 1.035 nan 8.240 nan 0.000 0.484 312 A N 1.421 124.316 122.820 0.125 0.000 3.127 312 A HA 0.714 5.034 4.320 -0.000 0.000 0.319 312 A C 0.609 178.378 177.584 0.309 0.000 1.104 312 A CA 0.420 52.561 52.037 0.174 0.000 0.802 312 A CB -0.221 18.865 19.000 0.143 0.000 1.193 312 A HN 0.440 nan 8.150 nan 0.000 0.479 313 T N -2.663 112.026 114.554 0.225 0.000 3.085 313 T HA 0.416 4.766 4.350 -0.000 0.000 0.264 313 T C -0.007 174.518 174.700 -0.291 0.000 1.019 313 T CA 0.566 62.834 62.100 0.280 0.000 0.910 313 T CB -0.376 68.586 68.868 0.156 0.000 1.059 313 T HN 0.656 nan 8.240 nan 0.000 0.542 314 D N -1.612 118.569 120.400 -0.365 0.000 2.665 314 D HA 0.242 4.881 4.640 -0.000 0.000 0.287 314 D C -0.127 176.039 176.300 -0.223 0.000 1.266 314 D CA -1.121 52.465 54.000 -0.690 0.000 0.830 314 D CB -0.099 40.518 40.800 -0.305 0.000 1.356 314 D HN 0.007 nan 8.370 nan 0.000 0.437 315 W N -0.118 121.153 121.300 -0.048 0.000 2.425 315 W HA 0.112 4.772 4.660 -0.000 0.000 0.277 315 W C 2.523 179.086 176.519 0.072 0.000 1.231 315 W CA 0.843 58.267 57.345 0.131 0.000 1.248 315 W CB -0.051 29.476 29.460 0.112 0.000 1.117 315 W HN 0.416 nan 8.180 nan 0.000 0.568 316 R N 0.706 121.335 120.500 0.215 0.000 2.062 316 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 316 R C 1.150 177.511 176.300 0.102 0.000 1.128 316 R CA 1.017 57.191 56.100 0.124 0.000 0.960 316 R CB -0.319 30.047 30.300 0.110 0.000 0.855 316 R HN 0.192 nan 8.270 nan 0.000 0.432 320 H N 1.057 120.209 119.070 0.136 0.000 2.389 320 H HA 0.260 4.816 4.556 -0.000 0.000 0.299 320 H C 1.887 177.280 175.328 0.109 0.000 1.081 320 H CA 1.634 57.749 56.048 0.111 0.000 1.345 320 H CB -0.279 29.541 29.762 0.096 0.000 1.393 320 H HN 0.313 nan 8.280 nan 0.000 0.520 321 A N 0.858 123.810 122.820 0.220 0.000 1.902 321 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 321 A C 2.839 180.510 177.584 0.145 0.000 1.181 321 A CA 1.625 53.760 52.037 0.162 0.000 0.623 321 A CB -0.860 18.221 19.000 0.135 0.000 0.818 321 A HN 0.209 nan 8.150 nan 0.000 0.443 322 V N -0.125 119.883 119.914 0.157 0.000 2.307 322 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 322 V C 2.636 178.811 176.094 0.135 0.000 1.045 322 V CA 2.252 64.652 62.300 0.168 0.000 1.024 322 V CB -0.760 31.214 31.823 0.252 0.000 0.651 322 V HN 0.662 nan 8.190 nan 0.000 0.449 323 R N -0.270 120.312 120.500 0.137 0.000 2.120 323 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 323 R C 1.990 178.348 176.300 0.097 0.000 1.123 323 R CA 1.390 57.555 56.100 0.108 0.000 0.975 323 R CB -0.171 30.207 30.300 0.131 0.000 0.866 323 R HN 0.470 nan 8.270 nan 0.000 0.446 324 L N 0.456 121.747 121.223 0.114 0.000 2.558 324 L HA 0.078 4.418 4.340 -0.000 0.000 0.225 324 L C 0.388 177.308 176.870 0.083 0.000 1.128 324 L CA 0.214 55.112 54.840 0.098 0.000 0.868 324 L CB -0.034 42.091 42.059 0.111 0.000 1.006 324 L HN 0.252 nan 8.230 nan 0.000 0.454 325 Q N -0.474 119.376 119.800 0.084 0.000 2.435 325 Q HA -0.280 4.060 4.340 -0.000 0.000 0.312 325 Q C 1.206 177.258 176.000 0.086 0.000 1.333 325 Q CA 0.315 56.165 55.803 0.078 0.000 0.883 325 Q CB -1.030 27.744 28.738 0.059 0.000 1.170 325 Q HN 0.612 nan 8.270 nan 0.000 0.443 326 A N -0.648 122.230 122.820 0.097 0.000 2.072 326 A HA 0.229 4.549 4.320 -0.000 0.000 0.216 326 A C 0.714 178.355 177.584 0.094 0.000 1.156 326 A CA 0.890 52.988 52.037 0.102 0.000 0.701 326 A CB 0.894 19.956 19.000 0.104 0.000 0.816 326 A HN 0.196 nan 8.150 nan 0.000 0.458 327 V N 0.517 120.478 119.914 0.079 0.000 2.488 327 V HA 0.195 4.315 4.120 -0.000 0.000 0.293 327 V C -0.591 175.523 176.094 0.034 0.000 1.027 327 V CA -0.485 61.845 62.300 0.050 0.000 0.862 327 V CB 1.496 33.340 31.823 0.034 0.000 1.008 327 V HN 0.401 nan 8.190 nan 0.000 0.428 328 D N 3.469 123.881 120.400 0.020 0.000 2.213 328 D HA 0.180 4.820 4.640 -0.000 0.000 0.205 328 D C 0.364 176.629 176.300 -0.059 0.000 0.961 328 D CA 1.201 55.202 54.000 0.001 0.000 0.853 328 D CB 0.427 41.232 40.800 0.009 0.000 0.967 328 D HN 0.513 nan 8.370 nan 0.000 0.496 329 I N 1.223 121.720 120.570 -0.122 0.000 2.563 329 I HA 0.257 4.427 4.170 -0.000 0.000 0.276 329 I C -2.603 173.377 176.117 -0.228 0.000 1.074 329 I CA -2.201 58.963 61.300 -0.226 0.000 1.124 329 I CB 1.958 39.702 38.000 -0.427 0.000 1.225 329 I HN -0.315 nan 8.210 nan 0.000 0.482 330 P HA 0.197 nan 4.420 nan 0.000 0.276 330 P C -0.618 176.425 177.300 -0.427 0.000 1.243 330 P CA -0.064 62.879 63.100 -0.262 0.000 0.768 330 P CB 0.570 32.096 31.700 -0.289 0.000 0.856 331 L N 2.894 123.919 121.223 -0.331 0.000 2.268 331 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 331 L C 0.714 177.332 176.870 -0.419 0.000 1.064 331 L CA -0.559 54.041 54.840 -0.399 0.000 0.824 331 L CB 0.529 42.482 42.059 -0.176 0.000 1.202 331 L HN 0.350 nan 8.230 nan 0.000 0.433 332 A N 2.394 124.752 122.820 -0.769 0.000 2.969 332 A HA 0.180 4.500 4.320 -0.000 0.000 0.328 332 A C -0.099 177.201 177.584 -0.473 0.000 1.355 332 A CA -0.590 50.851 52.037 -0.994 0.000 1.018 332 A CB -0.157 18.037 19.000 -1.342 0.000 1.159 332 A HN 0.655 nan 8.150 nan 0.000 0.505 333 D N 2.977 123.255 120.400 -0.204 0.000 2.520 333 D HA 0.053 4.693 4.640 -0.000 0.000 0.243 333 D C -1.461 174.866 176.300 0.045 0.000 1.160 333 D CA -1.329 52.740 54.000 0.116 0.000 0.877 333 D CB 1.052 42.116 40.800 0.440 0.000 1.150 333 D HN 0.185 nan 8.370 nan 0.000 0.494 334 P HA -0.124 nan 4.420 nan 0.000 0.221 334 P C 0.570 177.825 177.300 -0.075 0.000 1.145 334 P CA 1.230 64.317 63.100 -0.021 0.000 0.795 334 P CB 0.067 31.677 31.700 -0.151 0.000 0.775 335 H N -1.817 117.302 119.070 0.082 0.000 2.423 335 H HA -0.066 4.490 4.556 -0.000 0.000 0.297 335 H C 1.431 176.907 175.328 0.246 0.000 1.075 335 H CA 1.480 57.606 56.048 0.130 0.000 1.342 335 H CB -0.657 29.197 29.762 0.154 0.000 1.395 335 H HN 0.313 nan 8.280 nan 0.000 0.530 336 F N -4.133 116.004 119.950 0.311 0.000 2.682 336 F HA 0.261 4.788 4.527 -0.000 0.000 0.308 336 F C 0.634 176.485 175.800 0.085 0.000 1.093 336 F CA -0.745 57.359 58.000 0.172 0.000 1.244 336 F CB -0.194 38.873 39.000 0.111 0.000 1.052 336 F HN -0.062 nan 8.300 nan 0.000 0.573 337 W N 2.747 123.935 121.300 -0.186 0.000 3.107 337 W HA 0.327 4.987 4.660 -0.000 0.000 0.293 337 W C 0.797 177.350 176.519 0.056 0.000 1.239 337 W CA 1.355 58.662 57.345 -0.063 0.000 1.653 337 W CB -0.155 29.210 29.460 -0.158 0.000 1.068 337 W HN 0.318 nan 8.180 nan 0.000 0.615 341 G N 0.690 109.625 108.800 0.226 0.000 2.403 341 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 341 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 341 G C 1.313 176.472 174.900 0.431 0.000 1.154 341 G CA 1.321 46.670 45.100 0.416 0.000 0.784 341 G HN 0.272 nan 8.290 nan 0.000 0.538 342 S N -0.281 115.587 115.700 0.279 0.000 2.368 342 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 342 S C 2.478 177.100 174.600 0.037 0.000 1.030 342 S CA 1.510 59.800 58.200 0.149 0.000 0.999 342 S CB -0.273 63.040 63.200 0.189 0.000 0.844 342 S HN 0.096 nan 8.310 nan 0.000 0.459 343 V N 1.963 121.854 119.914 -0.038 0.000 2.427 343 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 343 V C 2.631 178.640 176.094 -0.142 0.000 1.051 343 V CA 2.037 64.206 62.300 -0.219 0.000 1.048 343 V CB -0.744 30.983 31.823 -0.160 0.000 0.666 343 V HN 0.476 nan 8.190 nan 0.000 0.456 344 R N -0.276 120.248 120.500 0.041 0.000 2.096 344 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 344 R C 2.207 178.639 176.300 0.221 0.000 1.127 344 R CA 1.601 57.773 56.100 0.119 0.000 0.968 344 R CB -0.291 30.120 30.300 0.185 0.000 0.861 344 R HN 0.446 nan 8.270 nan 0.000 0.440 345 L N 0.378 121.743 121.223 0.236 0.000 2.093 345 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 345 L C 2.179 179.003 176.870 -0.076 0.000 1.085 345 L CA 2.015 56.856 54.840 0.001 0.000 0.755 345 L CB -0.567 41.228 42.059 -0.440 0.000 0.904 345 L HN 0.219 nan 8.230 nan 0.000 0.435 346 A N -1.165 121.488 122.820 -0.279 0.000 1.972 346 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 346 A C 2.183 179.605 177.584 -0.269 0.000 1.169 346 A CA 1.758 53.479 52.037 -0.527 0.000 0.635 346 A CB -0.489 17.722 19.000 -1.315 0.000 0.810 346 A HN 0.655 nan 8.150 nan 0.000 0.446 347 Q N -1.198 118.477 119.800 -0.208 0.000 2.046 347 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 347 Q C 2.086 177.997 176.000 -0.148 0.000 0.975 347 Q CA 1.365 57.076 55.803 -0.153 0.000 0.836 347 Q CB -0.313 28.352 28.738 -0.123 0.000 0.896 347 Q HN 0.561 nan 8.270 nan 0.000 0.428 348 L N 0.428 121.557 121.223 -0.157 0.000 2.042 348 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 348 L C 2.166 178.911 176.870 -0.209 0.000 1.076 348 L CA 1.647 56.303 54.840 -0.306 0.000 0.749 348 L CB -0.560 41.333 42.059 -0.277 0.000 0.893 348 L HN 0.318 nan 8.230 nan 0.000 0.432 349 C N -0.507 118.743 119.300 -0.083 0.000 2.413 349 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 349 C C 2.920 177.929 174.990 0.031 0.000 1.236 349 C CA 1.104 60.128 59.018 0.010 0.000 1.735 349 C CB -1.135 26.640 27.740 0.057 0.000 2.031 349 C HN 0.576 nan 8.230 nan 0.000 0.474 350 R N 1.231 121.724 120.500 -0.012 0.000 2.081 350 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 350 R C 1.546 177.871 176.300 0.043 0.000 1.131 350 R CA 2.038 58.141 56.100 0.005 0.000 0.960 350 R CB -0.914 29.365 30.300 -0.035 0.000 0.856 350 R HN 0.497 nan 8.270 nan 0.000 0.436 351 D N -0.766 119.641 120.400 0.011 0.000 2.144 351 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 351 D C 0.954 177.474 176.300 0.367 0.000 0.984 351 D CA 0.988 55.043 54.000 0.092 0.000 0.834 351 D CB -0.151 40.598 40.800 -0.085 0.000 0.955 351 D HN 0.339 nan 8.370 nan 0.000 0.465 352 W N 0.092 121.409 121.300 0.027 0.000 2.966 352 W HA 0.433 5.093 4.660 -0.000 0.000 0.406 352 W C 1.203 177.737 176.519 0.024 0.000 1.027 352 W CA -0.267 57.096 57.345 0.029 0.000 1.930 352 W CB -0.291 29.194 29.460 0.041 0.000 1.144 352 W HN 0.028 nan 8.180 nan 0.000 0.626 353 G N 0.782 109.712 108.800 0.215 0.000 2.153 353 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 353 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 353 G C 0.277 175.242 174.900 0.108 0.000 0.994 353 G CA 0.298 45.475 45.100 0.129 0.000 0.698 353 G HN 0.199 nan 8.290 nan 0.000 0.521 354 L N -0.634 120.662 121.223 0.121 0.000 2.567 354 L HA 0.718 5.058 4.340 -0.000 0.000 0.238 354 L C 0.660 177.559 176.870 0.048 0.000 1.168 354 L CA -0.514 54.372 54.840 0.077 0.000 0.817 354 L CB 0.980 43.087 42.059 0.080 0.000 1.409 354 L HN 0.092 nan 8.230 nan 0.000 0.502 355 T N -0.704 113.857 114.554 0.012 0.000 2.890 355 T HA 0.204 4.554 4.350 -0.000 0.000 0.295 355 T C -1.111 173.585 174.700 -0.006 0.000 0.993 355 T CA -0.344 61.758 62.100 0.005 0.000 0.979 355 T CB 0.788 69.629 68.868 -0.046 0.000 0.967 355 T HN 0.428 nan 8.240 nan 0.000 0.441 356 W N 3.365 124.577 121.300 -0.147 0.000 2.261 356 W HA 0.594 5.254 4.660 -0.000 0.000 0.323 356 W C 0.342 176.749 176.519 -0.186 0.000 1.243 356 W CA 0.352 57.585 57.345 -0.187 0.000 1.210 356 W CB 0.612 29.965 29.460 -0.179 0.000 1.149 356 W HN 0.821 nan 8.180 nan 0.000 0.562 357 G N 2.068 110.261 108.800 -1.012 0.000 2.921 357 G HA2 0.563 4.523 3.960 -0.000 0.000 0.291 357 G HA3 0.563 4.523 3.960 -0.000 0.000 0.291 357 G C -1.700 172.281 174.900 -1.532 0.000 1.370 357 G CA -0.769 43.683 45.100 -1.079 0.000 0.847 357 G HN 0.524 nan 8.290 nan 0.000 0.532 358 S N -1.845 113.315 115.700 -0.899 0.000 2.569 358 S HA 0.610 5.080 4.470 -0.000 0.000 0.280 358 S C -1.187 173.251 174.600 -0.269 0.000 1.111 358 S CA -0.629 57.213 58.200 -0.596 0.000 0.887 358 S CB 1.506 64.451 63.200 -0.426 0.000 1.095 358 S HN 1.019 nan 8.310 nan 0.000 0.476 359 H N 1.185 120.175 119.070 -0.133 0.000 2.567 359 H HA 0.817 5.373 4.556 -0.000 0.000 0.345 359 H C -0.240 175.207 175.328 0.198 0.000 1.169 359 H CA 0.054 56.129 56.048 0.046 0.000 1.227 359 H CB 1.592 31.469 29.762 0.192 0.000 1.607 359 H HN 0.672 nan 8.280 nan 0.000 0.534 360 S N 3.015 118.360 115.700 -0.591 0.000 2.697 360 S HA 0.555 5.025 4.470 -0.000 0.000 0.289 360 S C -1.142 173.357 174.600 -0.168 0.000 1.149 360 S CA -1.170 56.968 58.200 -0.103 0.000 0.850 360 S CB 1.848 65.139 63.200 0.152 0.000 1.151 360 S HN 0.789 nan 8.310 nan 0.000 0.491 361 N N 0.195 118.895 118.700 0.001 0.000 2.509 361 N HA 0.396 5.136 4.740 -0.000 0.000 0.280 361 N C -1.528 173.611 175.510 -0.617 0.000 1.306 361 N CA -0.746 52.052 53.050 -0.421 0.000 0.782 361 N CB 1.096 39.511 38.487 -0.120 0.000 1.493 361 N HN 0.730 nan 8.380 nan 0.000 0.498 362 N N 0.470 118.584 118.700 -0.977 0.000 2.292 362 N HA -0.024 4.716 4.740 -0.000 0.000 0.258 362 N C -0.625 174.510 175.510 -0.626 0.000 1.261 362 N CA 0.967 53.493 53.050 -0.874 0.000 0.845 362 N CB -0.008 37.727 38.487 -1.254 0.000 1.064 362 N HN 0.537 nan 8.380 nan 0.000 0.471 363 H N -0.670 118.183 119.070 -0.361 0.000 2.990 363 H HA 0.543 5.099 4.556 -0.000 0.000 0.336 363 H C -1.266 174.191 175.328 0.216 0.000 1.306 363 H CA -1.009 55.071 56.048 0.053 0.000 1.118 363 H CB 0.343 30.218 29.762 0.187 0.000 1.856 363 H HN 0.241 nan 8.280 nan 0.000 0.538 364 F N 0.147 120.464 119.950 0.611 0.000 2.294 364 F HA 0.165 4.692 4.527 -0.000 0.000 0.319 364 F C 1.473 177.463 175.800 0.316 0.000 1.107 364 F CA -0.198 58.134 58.000 0.553 0.000 1.094 364 F CB 0.558 39.784 39.000 0.377 0.000 1.508 364 F HN 0.798 nan 8.300 nan 0.000 0.506 365 D N -0.758 119.841 120.400 0.331 0.000 2.363 365 D HA -0.049 4.591 4.640 -0.000 0.000 0.220 365 D C 1.615 177.917 176.300 0.002 0.000 0.994 365 D CA 0.688 54.618 54.000 -0.117 0.000 0.890 365 D CB -0.817 39.970 40.800 -0.023 0.000 0.906 365 D HN 0.184 nan 8.370 nan 0.000 0.530 366 V N 0.569 120.555 119.914 0.119 0.000 2.302 366 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 366 V C 2.560 178.670 176.094 0.026 0.000 1.036 366 V CA 1.534 63.871 62.300 0.062 0.000 1.020 366 V CB -0.594 31.270 31.823 0.067 0.000 0.657 366 V HN 0.181 nan 8.190 nan 0.000 0.453 367 S N 0.283 116.025 115.700 0.069 0.000 2.383 367 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 367 S C 1.905 176.400 174.600 -0.175 0.000 1.030 367 S CA 1.713 59.873 58.200 -0.066 0.000 1.002 367 S CB -0.454 62.724 63.200 -0.036 0.000 0.829 367 S HN 0.424 nan 8.310 nan 0.000 0.467 368 L N 1.767 122.943 121.223 -0.079 0.000 2.043 368 L HA 0.021 4.361 4.340 -0.000 0.000 0.212 368 L C 1.286 178.158 176.870 0.004 0.000 1.075 368 L CA 1.421 56.234 54.840 -0.046 0.000 0.752 368 L CB -1.188 40.673 42.059 -0.330 0.000 0.891 368 L HN 0.255 nan 8.230 nan 0.000 0.432 372 T N -0.036 114.635 114.554 0.195 0.000 2.737 372 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 372 T C 1.665 176.353 174.700 -0.021 0.000 1.038 372 T CA 1.854 63.989 62.100 0.057 0.000 1.144 372 T CB -0.341 68.510 68.868 -0.028 0.000 0.866 372 T HN 0.279 nan 8.240 nan 0.000 0.434 373 H N 0.856 119.931 119.070 0.008 0.000 2.353 373 H HA 0.053 4.609 4.556 -0.000 0.000 0.300 373 H C 2.637 177.943 175.328 -0.036 0.000 1.090 373 H CA 1.436 57.468 56.048 -0.027 0.000 1.327 373 H CB -0.338 29.395 29.762 -0.050 0.000 1.383 373 H HN 0.381 nan 8.280 nan 0.000 0.508 374 A N 1.285 124.166 122.820 0.102 0.000 1.858 374 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 374 A C 2.695 180.241 177.584 -0.065 0.000 1.190 374 A CA 1.773 53.829 52.037 0.033 0.000 0.617 374 A CB -0.880 18.186 19.000 0.111 0.000 0.827 374 A HN 0.432 nan 8.150 nan 0.000 0.443 375 A N -0.322 122.543 122.820 0.076 0.000 1.972 375 A HA 0.191 4.511 4.320 -0.000 0.000 0.219 375 A C 2.405 179.932 177.584 -0.094 0.000 1.169 375 A CA 1.892 53.949 52.037 0.033 0.000 0.635 375 A CB -0.863 18.297 19.000 0.268 0.000 0.810 375 A HN 1.092 nan 8.150 nan 0.000 0.446 376 A N -0.547 122.228 122.820 -0.076 0.000 2.067 376 A HA 0.271 4.591 4.320 -0.000 0.000 0.219 376 A C 2.097 179.608 177.584 -0.121 0.000 1.158 376 A CA 1.609 53.586 52.037 -0.100 0.000 0.661 376 A CB -0.533 18.389 19.000 -0.129 0.000 0.801 376 A HN 1.061 nan 8.150 nan 0.000 0.452 377 A N -1.013 121.716 122.820 -0.152 0.000 2.345 377 A HA 0.633 4.953 4.320 -0.000 0.000 0.225 377 A C 1.053 178.468 177.584 -0.282 0.000 1.243 377 A CA 0.525 52.459 52.037 -0.172 0.000 0.875 377 A CB -0.546 18.376 19.000 -0.131 0.000 0.929 377 A HN 0.832 nan 8.150 nan 0.000 0.502 378 A N 1.735 124.315 122.820 -0.399 0.000 2.302 378 A HA 0.613 4.933 4.320 -0.000 0.000 0.295 378 A C -2.605 174.803 177.584 -0.293 0.000 1.235 378 A CA -1.388 50.319 52.037 -0.550 0.000 0.876 378 A CB -0.028 18.388 19.000 -0.973 0.000 1.133 378 A HN 0.230 nan 8.150 nan 0.000 0.533 379 P HA 0.498 nan 4.420 nan 0.000 0.276 379 P C 0.976 178.222 177.300 -0.090 0.000 1.261 379 P CA 1.141 64.161 63.100 -0.133 0.000 0.800 379 P CB 0.758 32.390 31.700 -0.113 0.000 1.066 380 G N 0.261 109.030 108.800 -0.052 0.000 2.539 380 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.256 380 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.256 380 G C -0.775 174.120 174.900 -0.009 0.000 1.233 380 G CA -0.123 44.963 45.100 -0.022 0.000 0.936 380 G HN 0.642 nan 8.290 nan 0.000 0.571 381 T N 1.602 116.162 114.554 0.010 0.000 2.749 381 T HA 0.577 4.927 4.350 -0.000 0.000 0.287 381 T C 0.686 175.412 174.700 0.044 0.000 0.970 381 T CA 0.495 62.608 62.100 0.022 0.000 0.980 381 T CB 0.565 69.446 68.868 0.022 0.000 0.924 381 T HN 0.941 nan 8.240 nan 0.000 0.456 382 I N 0.014 120.621 120.570 0.062 0.000 2.982 382 I HA 0.786 4.956 4.170 -0.000 0.000 0.312 382 I C 0.276 176.426 176.117 0.055 0.000 1.041 382 I CA -0.909 60.462 61.300 0.118 0.000 1.053 382 I CB 1.847 39.994 38.000 0.245 0.000 1.248 382 I HN 0.364 nan 8.210 nan 0.000 0.471 383 T N 1.429 115.989 114.554 0.009 0.000 2.927 383 T HA 0.654 5.004 4.350 -0.000 0.000 0.281 383 T C 0.030 174.709 174.700 -0.035 0.000 0.998 383 T CA -0.344 61.733 62.100 -0.039 0.000 1.019 383 T CB 1.098 69.881 68.868 -0.141 0.000 1.061 383 T HN 0.881 nan 8.240 nan 0.000 0.518 384 A N 3.037 125.841 122.820 -0.027 0.000 2.546 384 A HA 0.427 4.747 4.320 -0.000 0.000 0.243 384 A C 0.553 178.077 177.584 -0.101 0.000 1.063 384 A CA -0.247 51.764 52.037 -0.044 0.000 0.757 384 A CB -0.801 18.167 19.000 -0.053 0.000 0.991 384 A HN 0.887 nan 8.150 nan 0.000 0.503 385 I N -0.324 120.182 120.570 -0.107 0.000 2.532 385 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 385 I C -0.578 175.396 176.117 -0.239 0.000 1.014 385 I CA -0.890 60.291 61.300 -0.198 0.000 1.340 385 I CB 0.812 38.704 38.000 -0.179 0.000 1.422 385 I HN 0.429 nan 8.210 nan 0.000 0.528 386 D N 3.118 123.329 120.400 -0.315 0.000 2.414 386 D HA 0.329 4.969 4.640 -0.000 0.000 0.242 386 D C -0.121 176.015 176.300 -0.273 0.000 1.129 386 D CA 0.521 54.334 54.000 -0.311 0.000 0.885 386 D CB 1.067 41.687 40.800 -0.300 0.000 1.198 386 D HN 0.753 nan 8.370 nan 0.000 0.437 387 T N 0.711 115.234 114.554 -0.051 0.000 2.932 387 T HA 0.241 4.591 4.350 -0.000 0.000 0.318 387 T C -0.360 174.552 174.700 0.354 0.000 1.265 387 T CA -0.591 61.624 62.100 0.191 0.000 1.036 387 T CB 0.714 69.711 68.868 0.215 0.000 1.209 387 T HN 0.350 nan 8.240 nan 0.000 0.484 388 H N 2.229 121.544 119.070 0.407 0.000 2.526 388 H HA 0.280 4.836 4.556 -0.000 0.000 0.274 388 H C 1.286 176.715 175.328 0.168 0.000 0.999 388 H CA 0.016 56.237 56.048 0.288 0.000 1.157 388 H CB 0.220 30.023 29.762 0.069 0.000 1.407 388 H HN 0.582 nan 8.280 nan 0.000 0.568 389 W N 1.667 122.976 121.300 0.014 0.000 2.392 389 W HA -0.168 4.492 4.660 -0.000 0.000 0.279 389 W C 1.386 177.852 176.519 -0.088 0.000 1.225 389 W CA 1.321 58.629 57.345 -0.060 0.000 1.233 389 W CB 0.095 29.607 29.460 0.085 0.000 1.122 389 W HN 0.360 nan 8.180 nan 0.000 0.561 390 I N -2.535 117.890 120.570 -0.241 0.000 2.567 390 I HA -0.196 3.974 4.170 -0.000 0.000 0.257 390 I C 1.550 177.546 176.117 -0.203 0.000 1.184 390 I CA 1.398 62.452 61.300 -0.410 0.000 1.451 390 I CB -1.124 36.493 38.000 -0.638 0.000 1.089 390 I HN -0.100 nan 8.210 nan 0.000 0.441 391 W N 0.716 122.024 121.300 0.014 0.000 3.003 391 W HA 0.136 4.796 4.660 -0.000 0.000 0.257 391 W C 2.154 178.538 176.519 -0.225 0.000 1.308 391 W CA -0.142 57.153 57.345 -0.084 0.000 1.529 391 W CB 0.048 29.407 29.460 -0.170 0.000 1.115 391 W HN 0.135 nan 8.180 nan 0.000 0.659 392 Q N -0.394 119.280 119.800 -0.210 0.000 2.369 392 Q HA 0.042 4.381 4.340 -0.000 0.000 0.254 392 Q C 0.844 176.431 176.000 -0.688 0.000 0.858 392 Q CA 0.194 55.778 55.803 -0.365 0.000 0.961 392 Q CB 0.047 28.609 28.738 -0.294 0.000 1.119 392 Q HN -0.059 nan 8.270 nan 0.000 0.538 393 E N 0.427 119.964 120.200 -1.105 0.000 2.529 393 E HA 0.085 4.434 4.350 -0.000 0.000 0.259 393 E C 0.438 176.783 176.600 -0.425 0.000 0.966 393 E CA 1.320 57.071 56.400 -1.082 0.000 0.937 393 E CB 0.160 29.329 29.700 -0.886 0.000 0.923 393 E HN 0.489 nan 8.360 nan 0.000 0.468 394 G N 4.427 113.104 108.800 -0.205 0.000 2.176 394 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 394 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 394 G C 0.554 175.290 174.900 -0.273 0.000 0.979 394 G CA 0.552 45.574 45.100 -0.131 0.000 0.641 394 G HN 0.643 nan 8.290 nan 0.000 0.530 395 D N -0.583 119.660 120.400 -0.262 0.000 2.530 395 D HA 0.547 5.187 4.640 -0.000 0.000 0.253 395 D C 0.484 176.773 176.300 -0.018 0.000 1.338 395 D CA 1.288 55.187 54.000 -0.167 0.000 0.806 395 D CB 0.482 41.124 40.800 -0.263 0.000 1.160 395 D HN 1.154 nan 8.370 nan 0.000 0.514 396 A N 0.557 123.402 122.820 0.042 0.000 2.517 396 A HA 0.819 5.139 4.320 -0.000 0.000 0.297 396 A C -1.069 176.772 177.584 0.428 0.000 1.050 396 A CA -0.767 51.428 52.037 0.263 0.000 0.694 396 A CB 1.553 20.665 19.000 0.187 0.000 1.277 396 A HN 0.056 nan 8.150 nan 0.000 0.400 397 R N 2.778 123.580 120.500 0.503 0.000 2.937 397 R HA 0.351 4.691 4.340 -0.000 0.000 0.273 397 R C -1.421 175.048 176.300 0.282 0.000 1.176 397 R CA -0.478 55.882 56.100 0.434 0.000 1.132 397 R CB 0.465 30.951 30.300 0.311 0.000 1.270 397 R HN 0.654 nan 8.270 nan 0.000 0.425 398 L N 1.907 123.270 121.223 0.234 0.000 2.638 398 L HA 0.232 4.572 4.340 -0.000 0.000 0.232 398 L C 0.854 177.764 176.870 0.067 0.000 1.099 398 L CA 0.189 55.066 54.840 0.061 0.000 0.883 398 L CB 0.966 42.983 42.059 -0.070 0.000 1.136 398 L HN 0.677 nan 8.230 nan 0.000 0.492 399 T N -3.749 110.874 114.554 0.116 0.000 2.950 399 T HA 0.358 4.708 4.350 -0.000 0.000 0.288 399 T C 0.980 175.739 174.700 0.098 0.000 1.035 399 T CA -0.727 61.426 62.100 0.087 0.000 1.028 399 T CB 2.045 70.962 68.868 0.082 0.000 1.109 399 T HN -0.024 nan 8.240 nan 0.000 0.514 400 R N 0.249 120.793 120.500 0.074 0.000 2.092 400 R HA 0.080 4.420 4.340 -0.000 0.000 0.231 400 R C 0.322 176.675 176.300 0.089 0.000 1.119 400 R CA 1.047 57.191 56.100 0.073 0.000 0.970 400 R CB 0.025 30.357 30.300 0.053 0.000 0.864 400 R HN 0.698 nan 8.270 nan 0.000 0.440 401 E N 0.548 120.803 120.200 0.091 0.000 2.621 401 E HA 0.243 4.593 4.350 -0.000 0.000 0.263 401 E C -2.603 174.067 176.600 0.116 0.000 1.033 401 E CA -1.858 54.604 56.400 0.103 0.000 0.778 401 E CB 1.947 31.694 29.700 0.078 0.000 1.426 401 E HN -0.029 nan 8.360 nan 0.000 0.394 402 P HA -0.058 nan 4.420 nan 0.000 0.264 402 P C -0.366 177.015 177.300 0.134 0.000 1.183 402 P CA -0.331 62.875 63.100 0.176 0.000 0.763 402 P CB 0.435 32.357 31.700 0.371 0.000 0.807 403 L N 3.346 124.599 121.223 0.051 0.000 2.506 403 L HA 0.003 4.343 4.340 -0.000 0.000 0.281 403 L C 1.053 177.987 176.870 0.107 0.000 1.228 403 L CA 1.029 55.893 54.840 0.040 0.000 0.850 403 L CB -0.483 41.562 42.059 -0.024 0.000 1.110 403 L HN 0.324 nan 8.230 nan 0.000 0.496 404 K N 3.871 124.339 120.400 0.113 0.000 2.164 404 K HA 0.535 4.855 4.320 -0.000 0.000 0.258 404 K C -0.764 175.912 176.600 0.127 0.000 0.951 404 K CA -0.667 55.724 56.287 0.173 0.000 0.844 404 K CB 1.681 34.262 32.500 0.134 0.000 1.099 404 K HN 0.390 nan 8.250 nan 0.000 0.435 405 I N 3.249 123.931 120.570 0.187 0.000 2.322 405 I HA 0.144 4.314 4.170 -0.000 0.000 0.292 405 I C -0.572 175.546 176.117 0.003 0.000 1.060 405 I CA -0.673 60.667 61.300 0.066 0.000 1.309 405 I CB 0.819 38.833 38.000 0.022 0.000 1.415 405 I HN 0.140 nan 8.210 nan 0.000 0.492 406 V N 4.774 124.652 119.914 -0.060 0.000 2.577 406 V HA 0.486 4.606 4.120 -0.000 0.000 0.303 406 V C 0.790 176.814 176.094 -0.116 0.000 1.042 406 V CA -0.573 61.677 62.300 -0.082 0.000 0.872 406 V CB 1.503 33.300 31.823 -0.043 0.000 0.998 406 V HN 0.989 nan 8.190 nan 0.000 0.423 407 G N 3.111 111.825 108.800 -0.142 0.000 2.296 407 G HA2 0.036 3.996 3.960 -0.000 0.000 0.282 407 G HA3 0.036 3.996 3.960 -0.000 0.000 0.282 407 G C 1.179 175.975 174.900 -0.173 0.000 1.014 407 G CA 0.891 45.910 45.100 -0.136 0.000 0.812 407 G HN 2.494 nan 8.290 nan 0.000 0.508 408 G N -2.223 106.398 108.800 -0.298 0.000 2.143 408 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.248 408 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.248 408 G C 0.061 174.869 174.900 -0.154 0.000 0.991 408 G CA 1.099 45.993 45.100 -0.343 0.000 0.689 408 G HN 1.202 nan 8.290 nan 0.000 0.522 409 Q N -1.168 118.557 119.800 -0.125 0.000 2.423 409 Q HA 0.649 4.989 4.340 -0.000 0.000 0.278 409 Q C -0.909 175.065 176.000 -0.043 0.000 1.097 409 Q CA -0.940 54.828 55.803 -0.059 0.000 0.809 409 Q CB 3.160 31.869 28.738 -0.049 0.000 1.391 409 Q HN 0.194 nan 8.270 nan 0.000 0.428 410 V N 1.094 120.994 119.914 -0.023 0.000 2.448 410 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 410 V C -0.327 175.747 176.094 -0.035 0.000 1.025 410 V CA -0.734 61.555 62.300 -0.018 0.000 0.859 410 V CB 1.417 33.234 31.823 -0.010 0.000 0.988 410 V HN 0.869 nan 8.190 nan 0.000 0.431 411 A N 4.592 127.392 122.820 -0.033 0.000 2.401 411 A HA 0.584 4.904 4.320 -0.000 0.000 0.259 411 A C 0.010 177.550 177.584 -0.074 0.000 1.103 411 A CA -0.277 51.732 52.037 -0.046 0.000 0.789 411 A CB 0.467 19.448 19.000 -0.031 0.000 1.035 411 A HN 0.737 nan 8.150 nan 0.000 0.491 412 V N 5.127 124.977 119.914 -0.107 0.000 2.529 412 V HA 0.113 4.233 4.120 -0.000 0.000 0.292 412 V C -1.740 174.291 176.094 -0.105 0.000 1.028 412 V CA -0.694 61.500 62.300 -0.178 0.000 1.074 412 V CB 0.172 31.873 31.823 -0.204 0.000 0.958 412 V HN 0.811 nan 8.190 nan 0.000 0.481 413 P HA 0.104 nan 4.420 nan 0.000 0.268 413 P C 0.799 178.101 177.300 0.003 0.000 1.208 413 P CA -0.193 62.903 63.100 -0.008 0.000 0.777 413 P CB 0.668 32.396 31.700 0.046 0.000 0.875 414 E N 1.251 121.454 120.200 0.005 0.000 2.112 414 E HA -0.056 4.294 4.350 -0.000 0.000 0.190 414 E C 0.301 176.907 176.600 0.010 0.000 0.979 414 E CA 0.705 57.108 56.400 0.004 0.000 0.814 414 E CB -0.069 29.631 29.700 0.000 0.000 0.762 414 E HN 0.471 nan 8.360 nan 0.000 0.460 415 R N 2.372 122.881 120.500 0.013 0.000 2.640 415 R HA 0.053 4.393 4.340 -0.000 0.000 0.270 415 R C -1.966 174.336 176.300 0.004 0.000 1.024 415 R CA -0.868 55.234 56.100 0.003 0.000 1.085 415 R CB -0.395 29.905 30.300 0.002 0.000 0.963 415 R HN 0.067 nan 8.270 nan 0.000 0.426 416 P HA 0.044 nan 4.420 nan 0.000 0.277 416 P C 0.547 177.793 177.300 -0.090 0.000 1.276 416 P CA 0.153 63.222 63.100 -0.050 0.000 0.788 416 P CB 0.392 32.047 31.700 -0.075 0.000 1.114 417 G N -0.420 108.302 108.800 -0.130 0.000 2.582 417 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.288 417 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.288 417 G C 0.891 175.613 174.900 -0.297 0.000 1.247 417 G CA 0.388 45.370 45.100 -0.197 0.000 0.972 417 G HN 0.488 nan 8.290 nan 0.000 0.557 418 L N 1.875 122.921 121.223 -0.294 0.000 2.465 418 L HA 0.308 4.648 4.340 -0.000 0.000 0.224 418 L C 2.440 179.296 176.870 -0.022 0.000 1.145 418 L CA 1.234 55.862 54.840 -0.352 0.000 0.834 418 L CB -0.506 41.430 42.059 -0.204 0.000 0.944 418 L HN 2.055 nan 8.230 nan 0.000 0.451 419 G N 1.109 109.898 108.800 -0.018 0.000 2.137 419 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 419 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 419 G C 0.210 175.127 174.900 0.028 0.000 1.002 419 G CA 0.467 45.592 45.100 0.042 0.000 0.702 419 G HN 0.449 nan 8.290 nan 0.000 0.515 420 I N -3.317 117.254 120.570 0.003 0.000 3.067 420 I HA 0.944 5.114 4.170 -0.000 0.000 0.312 420 I C -0.494 175.622 176.117 -0.001 0.000 1.073 420 I CA -1.542 59.764 61.300 0.010 0.000 1.016 420 I CB 2.149 40.156 38.000 0.013 0.000 1.227 420 I HN 0.146 nan 8.210 nan 0.000 0.456 421 E N 3.424 123.631 120.200 0.012 0.000 2.244 421 E HA 0.419 4.769 4.350 -0.000 0.000 0.260 421 E C -1.415 175.195 176.600 0.016 0.000 0.884 421 E CA -0.974 55.431 56.400 0.009 0.000 0.777 421 E CB 2.467 32.175 29.700 0.015 0.000 1.197 421 E HN 0.343 nan 8.360 nan 0.000 0.416 422 L N 2.771 123.997 121.223 0.005 0.000 2.485 422 L HA 0.079 4.419 4.340 -0.000 0.000 0.275 422 L C 0.452 177.328 176.870 0.011 0.000 1.207 422 L CA 0.829 55.671 54.840 0.003 0.000 0.855 422 L CB 0.106 42.156 42.059 -0.015 0.000 1.114 422 L HN 0.704 nan 8.230 nan 0.000 0.485 426 Q N 0.571 120.383 119.800 0.020 0.000 2.119 426 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 426 Q C 2.185 178.181 176.000 -0.007 0.000 0.972 426 Q CA 1.919 57.737 55.803 0.026 0.000 0.847 426 Q CB -0.372 28.395 28.738 0.048 0.000 0.903 426 Q HN 0.531 nan 8.270 nan 0.000 0.433 427 V N 1.284 121.179 119.914 -0.032 0.000 2.295 427 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 427 V C 2.099 178.175 176.094 -0.029 0.000 1.049 427 V CA 1.945 64.202 62.300 -0.071 0.000 1.024 427 V CB -0.508 31.264 31.823 -0.084 0.000 0.648 427 V HN 0.371 nan 8.190 nan 0.000 0.447 428 E N 0.216 120.412 120.200 -0.006 0.000 2.110 428 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 428 E C 2.294 178.930 176.600 0.061 0.000 0.988 428 E CA 1.321 57.743 56.400 0.037 0.000 0.804 428 E CB -0.362 29.351 29.700 0.021 0.000 0.745 428 E HN 0.608 nan 8.360 nan 0.000 0.458 429 A N 1.221 124.061 122.820 0.033 0.000 1.898 429 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 429 A C 2.345 179.944 177.584 0.026 0.000 1.181 429 A CA 1.608 53.663 52.037 0.029 0.000 0.620 429 A CB -0.541 18.478 19.000 0.032 0.000 0.819 429 A HN 0.295 nan 8.150 nan 0.000 0.442 430 A N -1.320 121.510 122.820 0.016 0.000 2.014 430 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 430 A C 1.959 179.556 177.584 0.022 0.000 1.163 430 A CA 1.846 53.884 52.037 0.002 0.000 0.652 430 A CB -0.719 18.220 19.000 -0.102 0.000 0.808 430 A HN 0.747 nan 8.150 nan 0.000 0.449 431 H N 0.005 119.038 119.070 -0.062 0.000 2.395 431 H HA 0.146 4.702 4.556 -0.000 0.000 0.299 431 H C 2.103 177.445 175.328 0.022 0.000 1.070 431 H CA 1.580 57.605 56.048 -0.039 0.000 1.356 431 H CB -0.185 29.534 29.762 -0.071 0.000 1.401 431 H HN 0.359 nan 8.280 nan 0.000 0.524 432 A N 0.660 123.442 122.820 -0.063 0.000 1.877 432 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 432 A C 2.357 179.861 177.584 -0.134 0.000 1.186 432 A CA 1.510 53.479 52.037 -0.113 0.000 0.620 432 A CB -0.990 17.989 19.000 -0.034 0.000 0.822 432 A HN 0.463 nan 8.150 nan 0.000 0.443 433 L N -1.412 119.754 121.223 -0.096 0.000 2.043 433 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 433 L C 2.290 179.037 176.870 -0.205 0.000 1.075 433 L CA 2.461 57.211 54.840 -0.150 0.000 0.752 433 L CB -1.021 40.978 42.059 -0.100 0.000 0.891 433 L HN 0.553 nan 8.230 nan 0.000 0.432 434 Y N 0.363 120.509 120.300 -0.257 0.000 2.165 434 Y HA -0.302 4.248 4.550 -0.000 0.000 0.286 434 Y C 2.433 178.172 175.900 -0.269 0.000 1.155 434 Y CA 2.192 60.139 58.100 -0.256 0.000 1.164 434 Y CB -0.130 38.205 38.460 -0.207 0.000 0.978 434 Y HN 0.193 nan 8.280 nan 0.000 0.513 435 K N -0.225 120.054 120.400 -0.202 0.000 2.152 435 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 435 K C 1.886 178.337 176.600 -0.248 0.000 1.048 435 K CA 1.478 57.633 56.287 -0.221 0.000 0.933 435 K CB -0.061 32.324 32.500 -0.192 0.000 0.721 435 K HN 0.369 nan 8.250 nan 0.000 0.447 436 E N 0.060 120.105 120.200 -0.258 0.000 2.076 436 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 436 E C 2.084 178.494 176.600 -0.317 0.000 0.979 436 E CA 1.478 57.729 56.400 -0.249 0.000 0.807 436 E CB 0.107 29.670 29.700 -0.228 0.000 0.761 436 E HN 0.298 nan 8.360 nan 0.000 0.454 437 V N -2.510 117.138 119.914 -0.444 0.000 3.635 437 V HA 0.421 4.540 4.120 -0.000 0.000 0.266 437 V C 1.017 176.841 176.094 -0.449 0.000 1.316 437 V CA 0.517 62.528 62.300 -0.482 0.000 1.060 437 V CB 0.311 31.624 31.823 -0.850 0.000 0.820 437 V HN 0.032 nan 8.190 nan 0.000 0.447 438 G N -0.484 107.922 108.800 -0.655 0.000 2.525 438 G HA2 0.508 4.468 3.960 -0.000 0.000 0.287 438 G HA3 0.508 4.468 3.960 -0.000 0.000 0.287 438 G C 0.950 175.490 174.900 -0.599 0.000 1.350 438 G CA -0.096 44.491 45.100 -0.854 0.000 1.039 438 G HN 1.450 nan 8.290 nan 0.000 0.513 439 G N -2.423 106.104 108.800 -0.454 0.000 2.201 439 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.212 439 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.212 439 G C 0.331 175.182 174.900 -0.082 0.000 0.994 439 G CA 0.598 45.584 45.100 -0.190 0.000 0.644 439 G HN 1.096 nan 8.290 nan 0.000 0.508 440 T N 1.017 115.519 114.554 -0.087 0.000 2.863 440 T HA 0.749 5.099 4.350 -0.000 0.000 0.285 440 T C 0.498 175.188 174.700 -0.017 0.000 1.009 440 T CA 0.372 62.449 62.100 -0.039 0.000 0.989 440 T CB 1.859 70.701 68.868 -0.043 0.000 1.004 440 T HN 1.393 nan 8.240 nan 0.000 0.455 441 A N 2.453 125.273 122.820 -0.000 0.000 2.520 441 A HA 0.346 4.666 4.320 -0.000 0.000 0.235 441 A C 0.723 178.305 177.584 -0.003 0.000 1.065 441 A CA -0.204 51.836 52.037 0.006 0.000 0.764 441 A CB -0.008 18.996 19.000 0.007 0.000 1.002 441 A HN 0.877 nan 8.150 nan 0.000 0.502 442 R N 0.841 121.338 120.500 -0.005 0.000 2.585 442 R HA 0.080 4.420 4.340 -0.000 0.000 0.275 442 R C -1.282 175.003 176.300 -0.026 0.000 1.018 442 R CA 0.553 56.640 56.100 -0.023 0.000 1.072 442 R CB 0.225 30.500 30.300 -0.041 0.000 0.953 442 R HN 0.693 nan 8.270 nan 0.000 0.419 443 D N 2.986 123.373 120.400 -0.022 0.000 2.328 443 D HA 0.129 4.769 4.640 -0.000 0.000 0.243 443 D C -0.710 175.592 176.300 0.003 0.000 1.324 443 D CA -0.514 53.483 54.000 -0.005 0.000 0.966 443 D CB 1.126 41.934 40.800 0.014 0.000 1.324 443 D HN 0.491 nan 8.370 nan 0.000 0.549 444 D N 1.687 122.081 120.400 -0.011 0.000 2.348 444 D HA 0.002 4.642 4.640 -0.000 0.000 0.216 444 D C 1.885 178.172 176.300 -0.022 0.000 0.970 444 D CA 0.655 54.646 54.000 -0.015 0.000 0.889 444 D CB 0.268 41.058 40.800 -0.016 0.000 0.912 444 D HN 0.498 nan 8.370 nan 0.000 0.524 445 A N 0.216 123.081 122.820 0.076 0.000 1.969 445 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 445 A C 2.377 180.027 177.584 0.111 0.000 1.169 445 A CA 0.833 52.980 52.037 0.183 0.000 0.635 445 A CB -0.522 18.677 19.000 0.331 0.000 0.810 445 A HN 0.149 nan 8.150 nan 0.000 0.445 446 V N 0.180 120.150 119.914 0.095 0.000 2.255 446 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 446 V C 2.038 178.249 176.094 0.196 0.000 1.051 446 V CA 1.237 63.610 62.300 0.121 0.000 1.018 446 V CB -1.499 30.392 31.823 0.113 0.000 0.641 446 V HN 0.653 nan 8.190 nan 0.000 0.445 450 Y N 1.507 121.816 120.300 0.014 0.000 2.293 450 Y HA -0.027 4.523 4.550 -0.000 0.000 0.291 450 Y C 2.176 178.088 175.900 0.021 0.000 1.137 450 Y CA 1.415 59.528 58.100 0.021 0.000 1.202 450 Y CB 0.051 38.524 38.460 0.022 0.000 0.990 450 Y HN -0.003 nan 8.280 nan 0.000 0.537 451 L N -1.502 119.815 121.223 0.156 0.000 2.249 451 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 451 L C -0.004 176.948 176.870 0.137 0.000 1.090 451 L CA 0.395 55.312 54.840 0.128 0.000 0.802 451 L CB 0.008 42.140 42.059 0.123 0.000 0.947 451 L HN -0.159 nan 8.230 nan 0.000 0.453 452 V N 0.737 120.711 119.914 0.101 0.000 2.443 452 V HA 0.292 4.412 4.120 -0.000 0.000 0.272 452 V C -2.447 173.736 176.094 0.149 0.000 1.002 452 V CA -1.332 61.059 62.300 0.151 0.000 0.840 452 V CB 1.160 33.104 31.823 0.202 0.000 1.042 452 V HN -0.051 nan 8.190 nan 0.000 0.446 453 P HA 0.294 nan 4.420 nan 0.000 0.268 453 P C 1.108 178.464 177.300 0.093 0.000 1.205 453 P CA 1.294 64.433 63.100 0.065 0.000 0.771 453 P CB 0.887 32.603 31.700 0.027 0.000 0.858 454 G N 1.114 109.966 108.800 0.086 0.000 2.176 454 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 454 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 454 G C -0.050 174.913 174.900 0.106 0.000 0.979 454 G CA -0.360 44.782 45.100 0.071 0.000 0.641 454 G HN 0.555 nan 8.290 nan 0.000 0.530 455 W N 2.297 123.590 121.300 -0.011 0.000 2.409 455 W HA 0.444 5.104 4.660 -0.000 0.000 0.338 455 W C 0.254 176.775 176.519 0.004 0.000 1.273 455 W CA 1.491 58.829 57.345 -0.011 0.000 1.299 455 W CB 0.475 29.918 29.460 -0.028 0.000 1.192 455 W HN 0.129 nan 8.180 nan 0.000 0.565 456 T N 7.297 121.344 114.554 -0.844 0.000 2.861 456 T HA 0.129 4.479 4.350 -0.000 0.000 0.287 456 T C -1.094 172.715 174.700 -1.486 0.000 1.003 456 T CA -0.477 61.132 62.100 -0.818 0.000 0.977 456 T CB 0.793 69.412 68.868 -0.414 0.000 0.996 456 T HN 0.234 nan 8.240 nan 0.000 0.448 457 Y N 2.920 122.537 120.300 -1.138 0.000 2.610 457 Y HA 0.347 4.897 4.550 -0.000 0.000 0.332 457 Y C -0.026 175.642 175.900 -0.387 0.000 1.201 457 Y CA -0.182 57.499 58.100 -0.700 0.000 1.465 457 Y CB 0.456 38.837 38.460 -0.132 0.000 1.283 457 Y HN 0.506 nan 8.280 nan 0.000 0.563 458 D N 7.759 127.642 120.400 -0.862 0.000 2.602 458 D HA 0.274 4.914 4.640 -0.000 0.000 0.245 458 D C -2.411 173.460 176.300 -0.716 0.000 1.325 458 D CA -2.168 51.399 54.000 -0.723 0.000 0.952 458 D CB 2.193 42.764 40.800 -0.382 0.000 1.317 458 D HN 0.289 nan 8.370 nan 0.000 0.577 459 P HA -0.046 nan 4.420 nan 0.000 0.222 459 P C 0.441 177.655 177.300 -0.142 0.000 1.147 459 P CA 0.829 63.713 63.100 -0.359 0.000 0.790 459 P CB 0.360 31.948 31.700 -0.187 0.000 0.780 460 K N -0.572 119.747 120.400 -0.135 0.000 2.618 460 K HA 0.234 4.554 4.320 -0.000 0.000 0.207 460 K C 0.238 176.838 176.600 0.000 0.000 1.058 460 K CA -0.137 56.129 56.287 -0.035 0.000 1.086 460 K CB 0.969 33.457 32.500 -0.020 0.000 0.827 460 K HN 0.120 nan 8.250 nan 0.000 0.481 461 R N 1.554 122.045 120.500 -0.015 0.000 2.510 461 R HA 0.291 4.631 4.340 -0.000 0.000 0.287 461 R C -3.033 173.319 176.300 0.087 0.000 1.084 461 R CA -1.544 54.578 56.100 0.037 0.000 0.934 461 R CB 1.806 32.095 30.300 -0.018 0.000 1.201 461 R HN -0.149 nan 8.270 nan 0.000 0.431 462 P HA -0.043 nan 4.420 nan 0.000 0.266 462 P C 0.619 178.032 177.300 0.188 0.000 1.193 462 P CA 0.218 63.424 63.100 0.177 0.000 0.770 462 P CB 0.799 32.630 31.700 0.218 0.000 0.836 463 S N 0.958 116.773 115.700 0.191 0.000 2.400 463 S HA -0.172 4.298 4.470 -0.000 0.000 0.232 463 S C 1.280 175.935 174.600 0.092 0.000 1.025 463 S CA 1.311 59.655 58.200 0.241 0.000 0.993 463 S CB -1.078 62.119 63.200 -0.004 0.000 0.808 463 S HN 0.323 nan 8.310 nan 0.000 0.478 464 F N 2.674 122.721 119.950 0.163 0.000 2.732 464 F HA 0.475 5.002 4.527 -0.000 0.000 0.303 464 F C 1.660 177.517 175.800 0.095 0.000 1.110 464 F CA 0.038 58.102 58.000 0.108 0.000 1.355 464 F CB -0.124 38.879 39.000 0.005 0.000 1.081 464 F HN 0.538 nan 8.300 nan 0.000 0.565 465 G N 0.000 108.941 108.800 0.235 0.000 5.446 465 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 465 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 465 G CA 0.000 45.193 45.100 0.155 0.000 0.502 465 G HN 0.000 nan 8.290 nan 0.000 0.925