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 3akz_1_D DATA FIRST_RESID 24 DATA SEQUENCE LVRVRFAPSP TGHLHVGGAR TALFNWMFAR KEGGKFILRI EDTDTERSSR DATA SEQUENCE EYEQQILESL RWCGLDWDEG PDIGGDFGPY RQSERLEIYR EYAEKLVEDK DATA SEQUENCE RAYYVVYDKE DPSKELFTTY EYPHEYKEKG HPVTIKFKVL PGKTSFEDLL DATA SEQUENCE KGYMEFDNST LEDFIIMKSN GFPTYNFAVV VDDHLMRISH VFRGEDHLSN DATA SEQUENCE TPKQLMIYEA FGWEAPVFMH IPLILGSDRT PLSKRHGATS VEHFRREGIL DATA SEQUENCE SRALMNYLAL LGWRVEGDEI FTIEEKLQSF DPKDISNKGV IFDYQKLEWV DATA SEQUENCE NGKHMRRIDL EDLKREFIEW AKYAGKEIPS VDERYFSETL RICREKVNTL DATA SEQUENCE SQLYDIMYPF MNDDYEYEKD YVEKFLKREE AERVLEEAKK AFKDLNSWNM DATA SEQUENCE EEIEKTLRDL SEKGLASKKV VFQLIRGAVT GKLVTPGLFE TIEVLGKERT DATA SEQUENCE LKRLERTLQF LKK 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 24 L HA 0.000 nan 4.340 nan 0.000 0.249 24 L C 0.000 176.865 176.870 -0.008 0.000 1.165 24 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 24 L CB 0.000 42.043 42.059 -0.026 0.000 0.961 25 V N 2.396 122.327 119.914 0.028 0.000 2.352 25 V HA 0.237 4.357 4.120 -0.001 0.000 0.253 25 V C 0.678 176.827 176.094 0.092 0.000 1.083 25 V CA -0.017 62.352 62.300 0.115 0.000 0.993 25 V CB 0.394 32.263 31.823 0.077 0.000 1.111 25 V HN 0.258 nan 8.190 nan 0.000 0.490 26 R N 3.787 124.316 120.500 0.048 0.000 3.463 26 R HA 0.275 4.614 4.340 -0.001 0.000 0.303 26 R C -0.106 176.225 176.300 0.051 0.000 1.370 26 R CA -0.186 55.910 56.100 -0.007 0.000 1.524 26 R CB 0.789 31.012 30.300 -0.128 0.000 1.389 26 R HN 0.631 nan 8.270 nan 0.000 0.640 27 V N -0.187 119.851 119.914 0.206 0.000 3.385 27 V HA 0.655 4.775 4.120 -0.001 0.000 0.301 27 V C 0.277 176.482 176.094 0.185 0.000 1.082 27 V CA -0.767 61.709 62.300 0.293 0.000 1.085 27 V CB 1.050 33.205 31.823 0.553 0.000 1.152 27 V HN 0.600 nan 8.190 nan 0.000 0.465 28 R N 0.788 121.412 120.500 0.206 0.000 2.741 28 R HA 0.637 4.977 4.340 -0.001 0.000 0.274 28 R C -1.728 174.682 176.300 0.183 0.000 1.029 28 R CA -0.779 55.325 56.100 0.006 0.000 0.880 28 R CB 0.902 31.187 30.300 -0.025 0.000 1.264 28 R HN 0.770 nan 8.270 nan 0.000 0.465 29 F N 0.604 120.428 119.950 -0.209 0.000 2.539 29 F HA 0.717 5.243 4.527 -0.001 0.000 0.328 29 F C -0.860 174.921 175.800 -0.031 0.000 1.148 29 F CA -1.011 56.966 58.000 -0.039 0.000 0.940 29 F CB 2.249 41.213 39.000 -0.059 0.000 1.194 29 F HN 0.897 nan 8.300 nan 0.000 0.438 30 A N 8.211 130.963 122.820 -0.113 0.000 3.173 30 A HA 0.430 4.749 4.320 -0.001 0.000 0.304 30 A C -2.664 174.723 177.584 -0.328 0.000 1.318 30 A CA -1.480 50.448 52.037 -0.181 0.000 1.069 30 A CB -0.789 18.180 19.000 -0.051 0.000 1.147 30 A HN 0.454 nan 8.150 nan 0.000 0.547 31 P HA 0.213 nan 4.420 nan 0.000 0.274 31 P C -0.105 177.098 177.300 -0.163 0.000 1.246 31 P CA -0.068 62.742 63.100 -0.483 0.000 0.795 31 P CB 1.386 32.698 31.700 -0.647 0.000 1.006 32 S N 0.764 116.421 115.700 -0.072 0.000 2.473 32 S HA 0.405 4.875 4.470 -0.001 0.000 0.307 32 S C -2.063 172.550 174.600 0.022 0.000 1.094 32 S CA -2.078 56.116 58.200 -0.009 0.000 1.070 32 S CB 0.696 63.903 63.200 0.011 0.000 1.019 32 S HN 0.275 nan 8.310 nan 0.000 0.480 33 P HA 0.077 nan 4.420 nan 0.000 0.301 33 P C -0.566 176.813 177.300 0.133 0.000 1.560 33 P CA 0.045 63.206 63.100 0.101 0.000 0.784 33 P CB -0.941 30.816 31.700 0.094 0.000 1.715 34 T N 0.127 114.694 114.554 0.021 0.000 2.770 34 T HA 0.531 4.880 4.350 -0.001 0.000 0.297 34 T C 0.491 174.998 174.700 -0.321 0.000 0.997 34 T CA 0.189 62.214 62.100 -0.125 0.000 0.949 34 T CB 1.039 69.868 68.868 -0.064 0.000 0.941 34 T HN 0.409 nan 8.240 nan 0.000 0.457 35 G N 2.794 111.009 108.800 -0.975 0.000 2.785 35 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.685 35 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.685 35 G C -0.575 174.218 174.900 -0.179 0.000 1.480 35 G CA -0.950 43.708 45.100 -0.737 0.000 0.915 35 G HN 0.870 nan 8.290 nan 0.000 0.576 36 H N -0.828 118.184 119.070 -0.096 0.000 2.964 36 H HA 0.251 4.807 4.556 -0.001 0.000 0.368 36 H C 1.246 176.631 175.328 0.095 0.000 1.212 36 H CA 0.350 56.436 56.048 0.063 0.000 1.421 36 H CB 0.265 30.052 29.762 0.041 0.000 1.385 36 H HN 0.798 nan 8.280 nan 0.000 0.614 37 L N 3.557 124.945 121.223 0.275 0.000 2.700 37 L HA -0.055 4.285 4.340 -0.001 0.000 0.272 37 L C 0.242 177.303 176.870 0.318 0.000 1.176 37 L CA 0.326 55.355 54.840 0.315 0.000 0.961 37 L CB -0.714 41.559 42.059 0.357 0.000 1.249 37 L HN 0.588 nan 8.230 nan 0.000 0.487 38 H N 4.326 123.516 119.070 0.200 0.000 3.034 38 H HA -0.012 4.543 4.556 -0.001 0.000 0.324 38 H C 0.971 176.371 175.328 0.120 0.000 1.015 38 H CA 0.617 56.750 56.048 0.141 0.000 1.429 38 H CB 1.127 30.968 29.762 0.133 0.000 1.429 38 H HN 0.638 nan 8.280 nan 0.000 0.585 39 V N 4.945 124.913 119.914 0.089 0.000 2.626 39 V HA -0.179 3.941 4.120 -0.001 0.000 0.252 39 V C 2.412 178.607 176.094 0.169 0.000 1.067 39 V CA 1.951 64.255 62.300 0.008 0.000 1.081 39 V CB -0.660 30.965 31.823 -0.330 0.000 0.686 39 V HN 0.909 nan 8.190 nan 0.000 0.468 40 G N 0.125 109.257 108.800 0.553 0.000 2.408 40 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.215 40 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.215 40 G C 1.615 176.583 174.900 0.113 0.000 1.156 40 G CA 0.679 45.945 45.100 0.277 0.000 0.793 40 G HN 0.558 nan 8.290 nan 0.000 0.535 41 G N 1.030 109.908 108.800 0.131 0.000 2.479 41 G HA2 0.064 4.024 3.960 -0.001 0.000 0.220 41 G HA3 0.064 4.024 3.960 -0.001 0.000 0.220 41 G C 1.887 176.865 174.900 0.130 0.000 1.115 41 G CA 1.384 46.598 45.100 0.191 0.000 0.757 41 G HN 0.601 nan 8.290 nan 0.000 0.560 42 A N 0.476 123.369 122.820 0.121 0.000 1.968 42 A HA 0.072 4.391 4.320 -0.001 0.000 0.217 42 A C 2.280 179.816 177.584 -0.080 0.000 1.169 42 A CA 1.587 53.633 52.037 0.016 0.000 0.638 42 A CB -0.355 18.684 19.000 0.065 0.000 0.812 42 A HN 0.364 nan 8.150 nan 0.000 0.446 43 R N -0.619 119.861 120.500 -0.033 0.000 2.066 43 R HA -0.103 4.236 4.340 -0.001 0.000 0.232 43 R C 2.014 178.275 176.300 -0.065 0.000 1.131 43 R CA 2.013 58.081 56.100 -0.054 0.000 0.955 43 R CB -0.579 29.709 30.300 -0.020 0.000 0.851 43 R HN 0.448 nan 8.270 nan 0.000 0.432 44 T N 0.782 115.308 114.554 -0.047 0.000 2.777 44 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 44 T C 1.834 176.483 174.700 -0.085 0.000 1.040 44 T CA 1.290 63.388 62.100 -0.003 0.000 1.141 44 T CB -0.253 68.662 68.868 0.078 0.000 0.868 44 T HN 0.442 nan 8.240 nan 0.000 0.444 45 A N 1.263 123.840 122.820 -0.404 0.000 1.933 45 A HA 0.011 4.331 4.320 -0.001 0.000 0.218 45 A C 2.183 179.447 177.584 -0.533 0.000 1.175 45 A CA 1.108 52.679 52.037 -0.776 0.000 0.628 45 A CB -0.697 17.504 19.000 -1.331 0.000 0.814 45 A HN 0.411 nan 8.150 nan 0.000 0.444 46 L N -1.918 119.090 121.223 -0.358 0.000 2.291 46 L HA 0.050 4.390 4.340 -0.001 0.000 0.214 46 L C 1.930 178.635 176.870 -0.275 0.000 1.120 46 L CA 1.450 56.101 54.840 -0.314 0.000 0.799 46 L CB -0.681 41.228 42.059 -0.250 0.000 0.925 46 L HN 0.398 nan 8.230 nan 0.000 0.446 47 F N 0.240 119.990 119.950 -0.334 0.000 2.074 47 F HA -0.130 4.396 4.527 -0.001 0.000 0.293 47 F C 2.378 178.034 175.800 -0.241 0.000 1.116 47 F CA 1.628 59.449 58.000 -0.298 0.000 1.212 47 F CB -0.452 38.448 39.000 -0.167 0.000 0.998 47 F HN 0.160 nan 8.300 nan 0.000 0.471 48 N N -0.333 118.362 118.700 -0.008 0.000 2.137 48 N HA -0.275 4.465 4.740 -0.001 0.000 0.190 48 N C 1.727 177.211 175.510 -0.044 0.000 1.017 48 N CA 1.727 54.861 53.050 0.140 0.000 0.859 48 N CB -0.899 37.903 38.487 0.524 0.000 1.002 48 N HN 0.478 nan 8.380 nan 0.000 0.428 49 W N 2.117 123.010 121.300 -0.678 0.000 2.348 49 W HA -0.037 4.622 4.660 -0.001 0.000 0.324 49 W C 2.452 178.709 176.519 -0.437 0.000 1.209 49 W CA 1.321 58.192 57.345 -0.790 0.000 1.275 49 W CB -0.582 28.246 29.460 -1.054 0.000 1.175 49 W HN -0.073 nan 8.180 nan 0.000 0.461 50 M N -0.496 118.808 119.600 -0.493 0.000 2.192 50 M HA -0.250 4.230 4.480 -0.001 0.000 0.259 50 M C 2.097 178.172 176.300 -0.374 0.000 1.071 50 M CA 1.822 56.698 55.300 -0.707 0.000 1.082 50 M CB -1.000 30.897 32.600 -1.172 0.000 1.373 50 M HN 0.113 nan 8.290 nan 0.000 0.408 51 F N 0.920 120.647 119.950 -0.371 0.000 2.074 51 F HA -0.072 4.454 4.527 -0.001 0.000 0.293 51 F C 2.502 178.182 175.800 -0.200 0.000 1.116 51 F CA 1.508 59.379 58.000 -0.215 0.000 1.212 51 F CB -0.670 38.091 39.000 -0.397 0.000 0.998 51 F HN 0.049 nan 8.300 nan 0.000 0.471 52 A N 0.510 123.267 122.820 -0.105 0.000 1.917 52 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 52 A C 2.203 179.598 177.584 -0.315 0.000 1.182 52 A CA 1.646 53.596 52.037 -0.145 0.000 0.633 52 A CB -0.624 18.386 19.000 0.016 0.000 0.819 52 A HN 0.337 nan 8.150 nan 0.000 0.448 53 R N -0.397 119.796 120.500 -0.512 0.000 2.307 53 R HA 0.012 4.352 4.340 -0.001 0.000 0.199 53 R C 1.768 177.825 176.300 -0.406 0.000 1.000 53 R CA 0.984 56.753 56.100 -0.552 0.000 1.023 53 R CB -0.466 29.240 30.300 -0.991 0.000 0.908 53 R HN 0.702 nan 8.270 nan 0.000 0.473 54 K N 1.063 121.239 120.400 -0.374 0.000 2.362 54 K HA -0.116 4.203 4.320 -0.001 0.000 0.200 54 K C 0.683 177.121 176.600 -0.270 0.000 1.046 54 K CA 1.107 57.223 56.287 -0.286 0.000 0.952 54 K CB 0.408 32.735 32.500 -0.290 0.000 0.753 54 K HN 0.179 nan 8.250 nan 0.000 0.466 55 E N -1.860 118.168 120.200 -0.286 0.000 1.526 55 E HA 0.095 4.444 4.350 -0.001 0.000 0.127 55 E C 0.138 176.633 176.600 -0.176 0.000 1.951 55 E CA -0.352 55.920 56.400 -0.213 0.000 1.159 55 E CB -0.426 29.142 29.700 -0.220 0.000 1.660 55 E HN 0.004 nan 8.360 nan 0.000 0.720 56 G N -0.364 108.355 108.800 -0.135 0.000 2.583 56 G HA2 0.448 4.408 3.960 -0.001 0.000 0.275 56 G HA3 0.448 4.408 3.960 -0.001 0.000 0.275 56 G C 0.710 175.563 174.900 -0.079 0.000 1.342 56 G CA 1.066 46.112 45.100 -0.089 0.000 1.030 56 G HN 1.228 nan 8.290 nan 0.000 0.520 57 G N -1.239 107.539 108.800 -0.037 0.000 2.846 57 G HA2 0.128 4.087 3.960 -0.001 0.000 0.660 57 G HA3 0.128 4.087 3.960 -0.001 0.000 0.660 57 G C -0.169 174.732 174.900 0.001 0.000 1.464 57 G CA 0.419 45.515 45.100 -0.006 0.000 0.891 57 G HN 1.218 nan 8.290 nan 0.000 0.552 58 K N -1.492 118.933 120.400 0.042 0.000 2.349 58 K HA 0.811 5.130 4.320 -0.001 0.000 0.243 58 K C -1.135 175.570 176.600 0.174 0.000 1.058 58 K CA -1.202 55.133 56.287 0.081 0.000 0.871 58 K CB 1.803 34.345 32.500 0.071 0.000 1.337 58 K HN 0.764 nan 8.250 nan 0.000 0.469 59 F N 2.269 122.245 119.950 0.044 0.000 2.334 59 F HA 0.425 4.952 4.527 -0.001 0.000 0.367 59 F C -0.632 175.179 175.800 0.018 0.000 1.115 59 F CA -1.398 56.646 58.000 0.074 0.000 1.116 59 F CB 0.262 39.382 39.000 0.200 0.000 1.230 59 F HN 0.369 nan 8.300 nan 0.000 0.484 60 I N 6.554 126.893 120.570 -0.386 0.000 2.519 60 I HA 0.150 4.319 4.170 -0.001 0.000 0.287 60 I C -0.555 175.162 176.117 -0.667 0.000 1.047 60 I CA -0.591 60.455 61.300 -0.424 0.000 1.381 60 I CB 1.269 39.161 38.000 -0.179 0.000 1.417 60 I HN 0.395 nan 8.210 nan 0.000 0.540 61 L N 7.652 128.588 121.223 -0.478 0.000 2.324 61 L HA 0.434 4.774 4.340 -0.001 0.000 0.274 61 L C -0.580 176.234 176.870 -0.093 0.000 1.012 61 L CA -0.397 54.262 54.840 -0.301 0.000 0.859 61 L CB 0.931 42.909 42.059 -0.135 0.000 1.224 61 L HN 0.710 nan 8.230 nan 0.000 0.429 62 R N 5.658 126.135 120.500 -0.037 0.000 2.295 62 R HA 0.492 4.832 4.340 -0.001 0.000 0.324 62 R C -0.903 175.404 176.300 0.012 0.000 0.968 62 R CA -0.739 55.394 56.100 0.055 0.000 0.837 62 R CB 1.142 31.473 30.300 0.051 0.000 1.133 62 R HN 0.507 nan 8.270 nan 0.000 0.450 63 I N 5.550 126.155 120.570 0.058 0.000 2.304 63 I HA 0.125 4.295 4.170 -0.001 0.000 0.291 63 I C 0.092 176.226 176.117 0.028 0.000 1.018 63 I CA -0.315 61.005 61.300 0.034 0.000 1.260 63 I CB 1.283 39.322 38.000 0.065 0.000 1.390 63 I HN 0.685 nan 8.210 nan 0.000 0.475 64 E N 4.466 124.666 120.200 0.001 0.000 2.102 64 E HA 0.403 4.753 4.350 -0.001 0.000 0.263 64 E C -1.028 175.565 176.600 -0.011 0.000 0.894 64 E CA -0.656 55.743 56.400 -0.002 0.000 0.746 64 E CB 0.854 30.547 29.700 -0.012 0.000 1.129 64 E HN 0.561 nan 8.360 nan 0.000 0.416 65 D N 1.588 121.970 120.400 -0.029 0.000 2.755 65 D HA -0.039 4.601 4.640 -0.001 0.000 0.257 65 D C 1.092 177.308 176.300 -0.140 0.000 1.291 65 D CA -0.358 53.607 54.000 -0.058 0.000 0.836 65 D CB 0.657 41.427 40.800 -0.049 0.000 1.059 65 D HN 0.438 nan 8.370 nan 0.000 0.486 66 T N -3.214 111.268 114.554 -0.120 0.000 2.918 66 T HA -0.243 4.107 4.350 -0.001 0.000 0.271 66 T C 0.559 175.131 174.700 -0.212 0.000 1.104 66 T CA 0.905 62.900 62.100 -0.175 0.000 1.114 66 T CB -0.365 68.451 68.868 -0.086 0.000 0.855 66 T HN 0.175 nan 8.240 nan 0.000 0.518 67 D N 1.882 122.202 120.400 -0.133 0.000 2.485 67 D HA 0.277 4.916 4.640 -0.001 0.000 0.229 67 D C 1.353 177.588 176.300 -0.107 0.000 1.101 67 D CA -0.091 53.859 54.000 -0.083 0.000 0.906 67 D CB 0.971 41.767 40.800 -0.007 0.000 1.019 67 D HN 0.240 nan 8.370 nan 0.000 0.516 68 T N 0.204 114.652 114.554 -0.177 0.000 3.052 68 T HA -0.157 4.193 4.350 -0.001 0.000 0.270 68 T C 1.305 175.992 174.700 -0.022 0.000 1.147 68 T CA 0.844 62.872 62.100 -0.119 0.000 1.089 68 T CB -0.133 68.671 68.868 -0.107 0.000 0.875 68 T HN 0.411 nan 8.240 nan 0.000 0.541 69 E N 1.559 121.758 120.200 -0.001 0.000 2.005 69 E HA -0.093 4.257 4.350 -0.001 0.000 0.198 69 E C 2.213 178.830 176.600 0.029 0.000 1.010 69 E CA 1.119 57.533 56.400 0.023 0.000 0.825 69 E CB -0.075 29.642 29.700 0.028 0.000 0.769 69 E HN 0.501 nan 8.360 nan 0.000 0.456 70 R N 0.316 120.834 120.500 0.029 0.000 2.432 70 R HA 0.237 4.576 4.340 -0.001 0.000 0.260 70 R C 0.038 176.382 176.300 0.073 0.000 0.935 70 R CA -0.231 55.900 56.100 0.052 0.000 1.080 70 R CB 0.926 31.248 30.300 0.037 0.000 1.155 70 R HN -0.056 nan 8.270 nan 0.000 0.531 71 S N 0.911 116.635 115.700 0.040 0.000 2.601 71 S HA 0.418 4.887 4.470 -0.001 0.000 0.271 71 S C 0.069 174.698 174.600 0.048 0.000 1.305 71 S CA -0.403 57.821 58.200 0.041 0.000 1.022 71 S CB 1.537 64.727 63.200 -0.016 0.000 0.940 71 S HN 0.372 nan 8.310 nan 0.000 0.525 72 S N 1.123 116.856 115.700 0.056 0.000 2.622 72 S HA 0.368 4.837 4.470 -0.001 0.000 0.275 72 S C -0.645 173.957 174.600 0.003 0.000 1.112 72 S CA -1.077 57.132 58.200 0.016 0.000 0.837 72 S CB 0.894 64.089 63.200 -0.008 0.000 1.082 72 S HN 0.593 nan 8.310 nan 0.000 0.456 73 R N 0.076 120.559 120.500 -0.028 0.000 2.363 73 R HA 0.212 4.552 4.340 -0.001 0.000 0.236 73 R C 0.981 177.237 176.300 -0.072 0.000 0.966 73 R CA 0.190 56.272 56.100 -0.030 0.000 1.100 73 R CB -0.088 30.198 30.300 -0.023 0.000 1.125 73 R HN 0.723 nan 8.270 nan 0.000 0.514 74 E N 0.377 120.495 120.200 -0.137 0.000 2.035 74 E HA -0.074 4.276 4.350 -0.001 0.000 0.191 74 E C 1.001 177.458 176.600 -0.238 0.000 0.966 74 E CA 1.171 57.419 56.400 -0.253 0.000 0.823 74 E CB -0.160 29.270 29.700 -0.449 0.000 0.791 74 E HN 0.154 nan 8.360 nan 0.000 0.459 75 Y N 1.517 121.765 120.300 -0.087 0.000 2.224 75 Y HA -0.095 4.455 4.550 -0.001 0.000 0.289 75 Y C 2.350 178.206 175.900 -0.073 0.000 1.146 75 Y CA 1.593 59.624 58.100 -0.116 0.000 1.182 75 Y CB -0.574 37.846 38.460 -0.066 0.000 0.983 75 Y HN 0.296 nan 8.280 nan 0.000 0.524 76 E N 0.244 120.505 120.200 0.101 0.000 2.097 76 E HA -0.377 3.972 4.350 -0.001 0.000 0.196 76 E C 2.179 178.791 176.600 0.020 0.000 1.000 76 E CA 1.661 58.100 56.400 0.064 0.000 0.804 76 E CB -0.034 29.692 29.700 0.042 0.000 0.740 76 E HN 0.444 nan 8.360 nan 0.000 0.454 77 Q N 0.637 120.424 119.800 -0.023 0.000 2.020 77 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 77 Q C 2.082 178.040 176.000 -0.070 0.000 0.982 77 Q CA 2.256 58.027 55.803 -0.053 0.000 0.838 77 Q CB -0.169 28.525 28.738 -0.073 0.000 0.899 77 Q HN 0.380 nan 8.270 nan 0.000 0.423 78 Q N -0.267 119.488 119.800 -0.074 0.000 2.096 78 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 78 Q C 2.197 178.172 176.000 -0.040 0.000 0.982 78 Q CA 1.695 57.448 55.803 -0.083 0.000 0.850 78 Q CB -0.267 28.372 28.738 -0.165 0.000 0.901 78 Q HN 0.470 nan 8.270 nan 0.000 0.422 79 I N 0.570 121.151 120.570 0.018 0.000 2.264 79 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 79 I C 2.065 178.154 176.117 -0.046 0.000 1.111 79 I CA 1.171 62.530 61.300 0.097 0.000 1.382 79 I CB -0.253 37.851 38.000 0.173 0.000 1.060 79 I HN 0.217 nan 8.210 nan 0.000 0.418 80 L N 0.062 121.193 121.223 -0.153 0.000 2.240 80 L HA -0.088 4.252 4.340 -0.001 0.000 0.211 80 L C 2.088 178.608 176.870 -0.583 0.000 1.106 80 L CA 0.770 55.337 54.840 -0.455 0.000 0.793 80 L CB -0.474 41.472 42.059 -0.189 0.000 0.927 80 L HN 0.221 nan 8.230 nan 0.000 0.446 81 E N -0.442 119.584 120.200 -0.291 0.000 2.510 81 E HA -0.168 4.181 4.350 -0.001 0.000 0.202 81 E C 1.709 178.207 176.600 -0.170 0.000 1.072 81 E CA 0.509 56.791 56.400 -0.198 0.000 0.883 81 E CB -0.006 29.643 29.700 -0.086 0.000 0.818 81 E HN 0.195 nan 8.360 nan 0.000 0.548 82 S N 0.369 115.893 115.700 -0.292 0.000 2.754 82 S HA 0.070 4.540 4.470 -0.001 0.000 0.223 82 S C 1.289 175.824 174.600 -0.108 0.000 0.951 82 S CA -0.146 58.029 58.200 -0.041 0.000 0.954 82 S CB -0.018 63.274 63.200 0.153 0.000 0.780 82 S HN 0.310 nan 8.310 nan 0.000 0.509 83 L N 0.495 121.486 121.223 -0.386 0.000 2.221 83 L HA 0.332 4.672 4.340 -0.001 0.000 0.202 83 L C 2.132 178.989 176.870 -0.021 0.000 1.074 83 L CA 0.444 55.118 54.840 -0.277 0.000 0.795 83 L CB -0.105 41.648 42.059 -0.510 0.000 0.960 83 L HN 0.172 nan 8.230 nan 0.000 0.458 84 R N -1.328 119.160 120.500 -0.020 0.000 2.339 84 R HA -0.126 4.214 4.340 -0.001 0.000 0.199 84 R C 1.060 177.447 176.300 0.146 0.000 1.018 84 R CA 0.857 56.971 56.100 0.024 0.000 1.036 84 R CB 0.051 30.329 30.300 -0.037 0.000 0.899 84 R HN 0.505 nan 8.270 nan 0.000 0.473 85 W N -0.996 120.306 121.300 0.003 0.000 3.638 85 W HA 0.188 4.847 4.660 -0.001 0.000 0.226 85 W C -0.250 176.314 176.519 0.076 0.000 1.065 85 W CA -0.045 57.351 57.345 0.085 0.000 1.751 85 W CB 0.602 30.181 29.460 0.199 0.000 0.873 85 W HN -0.276 nan 8.180 nan 0.000 0.786 86 C N 2.371 121.821 119.300 0.250 0.000 2.223 86 C HA 0.649 5.109 4.460 -0.001 0.000 0.324 86 C C 0.971 175.965 174.990 0.008 0.000 1.196 86 C CA -0.724 58.339 59.018 0.075 0.000 1.628 86 C CB -0.354 27.523 27.740 0.228 0.000 2.229 86 C HN 0.366 nan 8.230 nan 0.000 0.486 87 G N 4.777 113.493 108.800 -0.141 0.000 2.305 87 G HA2 0.388 4.348 3.960 -0.001 0.000 0.281 87 G HA3 0.388 4.348 3.960 -0.001 0.000 0.281 87 G C -0.348 174.305 174.900 -0.412 0.000 1.085 87 G CA 0.471 45.476 45.100 -0.157 0.000 1.211 87 G HN 0.732 nan 8.290 nan 0.000 0.421 88 L N 1.024 122.156 121.223 -0.151 0.000 2.485 88 L HA 0.526 4.866 4.340 -0.001 0.000 0.245 88 L C -1.199 175.769 176.870 0.163 0.000 1.137 88 L CA -1.085 53.535 54.840 -0.367 0.000 0.954 88 L CB 2.234 44.007 42.059 -0.476 0.000 1.560 88 L HN 0.368 nan 8.230 nan 0.000 0.403 89 D N -0.339 120.192 120.400 0.218 0.000 2.446 89 D HA 0.362 5.002 4.640 -0.001 0.000 0.251 89 D C -1.730 174.691 176.300 0.202 0.000 1.137 89 D CA -0.194 54.007 54.000 0.334 0.000 0.890 89 D CB 0.602 41.629 40.800 0.379 0.000 1.071 89 D HN 0.189 nan 8.370 nan 0.000 0.528 90 W N 3.175 124.543 121.300 0.114 0.000 2.295 90 W HA 0.310 4.969 4.660 -0.000 0.000 0.333 90 W C -0.298 176.175 176.519 -0.077 0.000 0.990 90 W CA -0.979 56.384 57.345 0.029 0.000 1.453 90 W CB 0.564 30.066 29.460 0.070 0.000 1.263 90 W HN 0.216 nan 8.180 nan 0.000 0.380 91 D N 3.330 123.682 120.400 -0.080 0.000 2.429 91 D HA -0.036 4.603 4.640 -0.001 0.000 0.253 91 D C 0.993 177.134 176.300 -0.265 0.000 1.294 91 D CA 0.292 54.104 54.000 -0.314 0.000 1.063 91 D CB -0.027 40.302 40.800 -0.786 0.000 1.096 91 D HN 0.546 nan 8.370 nan 0.000 0.516 92 E N 0.377 120.552 120.200 -0.042 0.000 2.563 92 E HA 0.198 4.548 4.350 -0.001 0.000 0.260 92 E C 1.061 177.727 176.600 0.110 0.000 1.391 92 E CA -0.805 55.624 56.400 0.049 0.000 1.079 92 E CB 0.363 30.102 29.700 0.066 0.000 0.984 92 E HN 0.215 nan 8.360 nan 0.000 0.563 93 G N 0.104 108.994 108.800 0.151 0.000 2.744 93 G HA2 0.048 4.008 3.960 -0.001 0.000 0.257 93 G HA3 0.048 4.008 3.960 -0.001 0.000 0.257 93 G C -1.390 173.647 174.900 0.228 0.000 1.244 93 G CA -0.535 44.686 45.100 0.202 0.000 0.916 93 G HN 0.588 nan 8.290 nan 0.000 0.564 94 P HA -0.006 nan 4.420 nan 0.000 0.245 94 P C 0.711 178.067 177.300 0.093 0.000 1.212 94 P CA 0.854 64.040 63.100 0.144 0.000 0.774 94 P CB 0.146 31.884 31.700 0.063 0.000 0.999 95 D N 2.621 123.071 120.400 0.083 0.000 2.096 95 D HA -0.169 4.470 4.640 -0.001 0.000 0.200 95 D C 1.430 177.762 176.300 0.054 0.000 0.980 95 D CA 1.229 55.263 54.000 0.057 0.000 0.860 95 D CB -0.757 40.072 40.800 0.049 0.000 1.005 95 D HN 0.334 nan 8.370 nan 0.000 0.449 96 I N -4.680 115.924 120.570 0.056 0.000 3.007 96 I HA 0.700 4.870 4.170 -0.001 0.000 0.333 96 I C 0.234 176.385 176.117 0.057 0.000 1.489 96 I CA -0.601 60.729 61.300 0.049 0.000 0.906 96 I CB 1.261 39.282 38.000 0.035 0.000 1.702 96 I HN 0.241 nan 8.210 nan 0.000 0.548 97 G N 0.508 109.354 108.800 0.078 0.000 5.005 97 G HA2 0.416 4.375 3.960 -0.001 0.000 0.222 97 G HA3 0.416 4.375 3.960 -0.001 0.000 0.222 97 G C -0.038 174.923 174.900 0.102 0.000 1.437 97 G CA 0.124 45.269 45.100 0.075 0.000 0.894 97 G HN 0.687 nan 8.290 nan 0.000 0.394 98 G N 0.258 109.168 108.800 0.183 0.000 3.430 98 G HA2 0.415 4.375 3.960 -0.001 0.000 0.298 98 G HA3 0.415 4.375 3.960 -0.001 0.000 0.298 98 G C -0.027 175.092 174.900 0.366 0.000 2.115 98 G CA 0.478 45.818 45.100 0.400 0.000 0.686 98 G HN 0.039 nan 8.290 nan 0.000 0.404 99 D N 1.792 122.378 120.400 0.310 0.000 2.075 99 D HA -0.113 4.527 4.640 -0.001 0.000 0.196 99 D C 1.101 177.489 176.300 0.147 0.000 0.985 99 D CA 0.618 54.724 54.000 0.177 0.000 0.834 99 D CB 0.139 41.020 40.800 0.136 0.000 0.987 99 D HN 0.271 nan 8.370 nan 0.000 0.452 100 F N 1.566 121.586 119.950 0.116 0.000 2.707 100 F HA 0.235 4.762 4.527 -0.001 0.000 0.299 100 F C 1.202 176.709 175.800 -0.488 0.000 1.259 100 F CA -0.179 57.776 58.000 -0.074 0.000 1.437 100 F CB -0.459 38.569 39.000 0.048 0.000 1.071 100 F HN -0.147 nan 8.300 nan 0.000 0.518 101 G N 0.515 109.155 108.800 -0.268 0.000 2.508 101 G HA2 0.307 4.267 3.960 -0.001 0.000 0.278 101 G HA3 0.307 4.267 3.960 -0.001 0.000 0.278 101 G C -2.404 172.343 174.900 -0.254 0.000 1.389 101 G CA -1.043 43.730 45.100 -0.545 0.000 1.050 101 G HN 0.036 nan 8.290 nan 0.000 0.522 102 P HA 0.132 nan 4.420 nan 0.000 0.265 102 P C -0.882 176.294 177.300 -0.207 0.000 1.193 102 P CA 0.295 63.320 63.100 -0.125 0.000 0.765 102 P CB 0.333 32.003 31.700 -0.051 0.000 0.823 103 Y N 1.580 121.906 120.300 0.043 0.000 2.607 103 Y HA 0.181 4.730 4.550 -0.001 0.000 0.266 103 Y C 0.878 176.798 175.900 0.034 0.000 1.178 103 Y CA -0.084 58.037 58.100 0.034 0.000 1.226 103 Y CB 0.250 38.733 38.460 0.037 0.000 1.144 103 Y HN 0.226 nan 8.280 nan 0.000 0.528 104 R N -0.241 120.345 120.500 0.142 0.000 2.487 104 R HA 0.351 4.690 4.340 -0.001 0.000 0.288 104 R C -1.012 175.339 176.300 0.085 0.000 1.394 104 R CA -0.595 55.568 56.100 0.106 0.000 1.155 104 R CB 0.222 30.578 30.300 0.094 0.000 1.156 104 R HN 0.135 nan 8.270 nan 0.000 0.553 105 Q N 1.992 121.846 119.800 0.089 0.000 2.256 105 Q HA -0.012 4.328 4.340 -0.001 0.000 0.281 105 Q C 0.168 176.223 176.000 0.092 0.000 1.162 105 Q CA 1.036 56.913 55.803 0.123 0.000 0.943 105 Q CB 0.473 29.274 28.738 0.104 0.000 1.195 105 Q HN 1.036 nan 8.270 nan 0.000 0.403 106 S N 0.454 116.234 115.700 0.133 0.000 1.409 106 S HA -0.083 4.386 4.470 -0.001 0.000 0.128 106 S C 0.774 175.479 174.600 0.174 0.000 0.536 106 S CA -0.117 58.153 58.200 0.117 0.000 1.628 106 S CB -0.330 62.891 63.200 0.034 0.000 0.870 106 S HN 0.535 nan 8.310 nan 0.000 0.292 107 E N 2.167 122.441 120.200 0.123 0.000 2.166 107 E HA 0.142 4.492 4.350 -0.001 0.000 0.192 107 E C 1.590 178.230 176.600 0.068 0.000 0.967 107 E CA 0.512 56.968 56.400 0.092 0.000 0.840 107 E CB -0.080 29.653 29.700 0.055 0.000 0.795 107 E HN 0.694 nan 8.360 nan 0.000 0.470 108 R N 1.987 122.516 120.500 0.047 0.000 2.541 108 R HA 0.034 4.374 4.340 -0.001 0.000 0.245 108 R C 1.226 177.477 176.300 -0.083 0.000 1.154 108 R CA 0.085 56.145 56.100 -0.067 0.000 1.179 108 R CB -0.568 29.642 30.300 -0.149 0.000 1.189 108 R HN 0.114 nan 8.270 nan 0.000 0.526 109 L N -1.823 119.484 121.223 0.140 0.000 2.362 109 L HA 0.066 4.406 4.340 -0.001 0.000 0.219 109 L C 1.411 178.361 176.870 0.134 0.000 1.134 109 L CA 1.230 56.248 54.840 0.297 0.000 0.807 109 L CB -0.447 41.829 42.059 0.362 0.000 0.927 109 L HN 0.005 nan 8.230 nan 0.000 0.447 110 E N 0.324 120.528 120.200 0.007 0.000 2.481 110 E HA 0.120 4.470 4.350 -0.001 0.000 0.195 110 E C 2.154 178.685 176.600 -0.116 0.000 1.047 110 E CA 0.533 56.914 56.400 -0.031 0.000 0.867 110 E CB 0.121 29.798 29.700 -0.039 0.000 0.858 110 E HN 0.658 nan 8.360 nan 0.000 0.513 111 I N -0.464 119.958 120.570 -0.246 0.000 2.585 111 I HA -0.174 3.995 4.170 -0.001 0.000 0.254 111 I C 1.490 177.434 176.117 -0.289 0.000 1.129 111 I CA 0.548 61.632 61.300 -0.360 0.000 1.455 111 I CB -0.141 37.572 38.000 -0.478 0.000 1.111 111 I HN 0.025 nan 8.210 nan 0.000 0.433 112 Y N 1.080 121.369 120.300 -0.019 0.000 2.509 112 Y HA -0.001 4.549 4.550 -0.001 0.000 0.293 112 Y C 2.316 178.324 175.900 0.181 0.000 1.133 112 Y CA 0.493 58.543 58.100 -0.083 0.000 1.283 112 Y CB -0.573 37.738 38.460 -0.248 0.000 1.001 112 Y HN 0.029 nan 8.280 nan 0.000 0.555 113 R N -0.195 120.441 120.500 0.227 0.000 2.276 113 R HA -0.012 4.328 4.340 -0.001 0.000 0.196 113 R C 1.382 177.756 176.300 0.123 0.000 0.961 113 R CA 0.518 56.743 56.100 0.207 0.000 1.024 113 R CB 0.131 30.504 30.300 0.122 0.000 0.940 113 R HN 0.286 nan 8.270 nan 0.000 0.480 114 E N -0.045 120.164 120.200 0.015 0.000 2.099 114 E HA -0.047 4.302 4.350 -0.001 0.000 0.191 114 E C 1.588 178.181 176.600 -0.010 0.000 0.962 114 E CA 1.015 57.358 56.400 -0.095 0.000 0.826 114 E CB -0.186 29.326 29.700 -0.314 0.000 0.788 114 E HN 0.276 nan 8.360 nan 0.000 0.461 115 Y N 1.365 121.757 120.300 0.153 0.000 2.274 115 Y HA -0.063 4.486 4.550 -0.001 0.000 0.290 115 Y C 2.347 178.535 175.900 0.481 0.000 1.145 115 Y CA 0.955 59.177 58.100 0.204 0.000 1.203 115 Y CB -0.699 37.750 38.460 -0.019 0.000 0.984 115 Y HN 0.042 nan 8.280 nan 0.000 0.533 116 A N -0.240 122.971 122.820 0.650 0.000 1.968 116 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 116 A C 2.124 179.862 177.584 0.256 0.000 1.169 116 A CA 1.378 53.690 52.037 0.459 0.000 0.638 116 A CB -0.580 18.690 19.000 0.449 0.000 0.812 116 A HN 0.482 nan 8.150 nan 0.000 0.446 117 E N 0.093 120.431 120.200 0.229 0.000 2.338 117 E HA -0.158 4.191 4.350 -0.001 0.000 0.197 117 E C 1.574 178.255 176.600 0.135 0.000 1.007 117 E CA 1.053 57.542 56.400 0.149 0.000 0.849 117 E CB -0.028 29.722 29.700 0.082 0.000 0.774 117 E HN 0.632 nan 8.360 nan 0.000 0.506 118 K N -0.202 120.316 120.400 0.197 0.000 2.262 118 K HA 0.046 4.366 4.320 -0.001 0.000 0.200 118 K C 2.115 178.788 176.600 0.122 0.000 1.049 118 K CA 0.242 56.640 56.287 0.185 0.000 0.979 118 K CB 0.213 32.898 32.500 0.308 0.000 0.773 118 K HN 0.160 nan 8.250 nan 0.000 0.474 119 L N 0.745 122.046 121.223 0.130 0.000 2.027 119 L HA -0.164 4.176 4.340 -0.001 0.000 0.206 119 L C 2.319 179.131 176.870 -0.096 0.000 1.074 119 L CA 0.880 55.703 54.840 -0.028 0.000 0.745 119 L CB -0.600 41.453 42.059 -0.010 0.000 0.898 119 L HN -0.065 nan 8.230 nan 0.000 0.433 120 V N 0.985 120.866 119.914 -0.055 0.000 2.252 120 V HA -0.322 3.798 4.120 -0.001 0.000 0.249 120 V C 2.504 178.534 176.094 -0.107 0.000 1.056 120 V CA 2.372 64.644 62.300 -0.046 0.000 1.022 120 V CB -0.874 30.981 31.823 0.052 0.000 0.641 120 V HN 0.669 nan 8.190 nan 0.000 0.445 121 E N 0.072 120.239 120.200 -0.056 0.000 2.338 121 E HA -0.231 4.119 4.350 -0.001 0.000 0.197 121 E C 0.920 177.404 176.600 -0.192 0.000 1.007 121 E CA 1.456 57.795 56.400 -0.102 0.000 0.849 121 E CB -0.314 29.372 29.700 -0.022 0.000 0.774 121 E HN 0.562 nan 8.360 nan 0.000 0.506 122 D N 0.672 120.955 120.400 -0.195 0.000 2.349 122 D HA 0.030 4.669 4.640 -0.001 0.000 0.214 122 D C 0.015 176.122 176.300 -0.322 0.000 1.063 122 D CA 0.092 53.962 54.000 -0.217 0.000 0.847 122 D CB 0.428 41.125 40.800 -0.170 0.000 0.933 122 D HN -0.010 nan 8.370 nan 0.000 0.513 123 K N -0.143 119.964 120.400 -0.489 0.000 3.407 123 K HA -0.194 4.126 4.320 -0.001 0.000 0.312 123 K C 0.403 176.787 176.600 -0.359 0.000 1.302 123 K CA 0.387 56.291 56.287 -0.639 0.000 0.931 123 K CB -1.475 30.703 32.500 -0.537 0.000 1.257 123 K HN 0.222 nan 8.250 nan 0.000 0.454 124 R N -0.244 120.046 120.500 -0.351 0.000 2.515 124 R HA 0.386 4.726 4.340 -0.001 0.000 0.294 124 R C 0.231 176.277 176.300 -0.424 0.000 1.021 124 R CA 0.520 56.350 56.100 -0.450 0.000 1.081 124 R CB 0.758 30.798 30.300 -0.433 0.000 1.263 124 R HN 0.283 nan 8.270 nan 0.000 0.557 125 A N 0.098 122.710 122.820 -0.347 0.000 2.513 125 A HA 0.603 4.922 4.320 -0.001 0.000 0.296 125 A C -1.500 175.885 177.584 -0.331 0.000 1.052 125 A CA -0.665 51.186 52.037 -0.310 0.000 0.714 125 A CB 0.984 19.850 19.000 -0.223 0.000 1.279 125 A HN 0.084 nan 8.150 nan 0.000 0.397 126 Y N -0.082 120.087 120.300 -0.218 0.000 2.612 126 Y HA 0.686 5.236 4.550 -0.001 0.000 0.334 126 Y C -0.507 175.187 175.900 -0.344 0.000 1.227 126 Y CA -0.700 57.267 58.100 -0.223 0.000 1.356 126 Y CB 0.939 39.307 38.460 -0.153 0.000 1.534 126 Y HN 0.570 nan 8.280 nan 0.000 0.576 127 Y N -0.534 119.882 120.300 0.194 0.000 2.541 127 Y HA 0.330 4.879 4.550 -0.001 0.000 0.350 127 Y C -0.920 174.927 175.900 -0.089 0.000 1.075 127 Y CA -1.196 56.952 58.100 0.081 0.000 1.302 127 Y CB 0.835 39.385 38.460 0.149 0.000 1.094 127 Y HN 0.127 nan 8.280 nan 0.000 0.579 128 V N 4.405 124.282 119.914 -0.062 0.000 2.341 128 V HA 0.107 4.226 4.120 -0.001 0.000 0.248 128 V C 0.534 176.127 176.094 -0.835 0.000 1.107 128 V CA -0.406 61.658 62.300 -0.393 0.000 1.069 128 V CB -0.571 31.070 31.823 -0.305 0.000 1.177 128 V HN 0.369 nan 8.190 nan 0.000 0.492 129 V N 5.693 125.105 119.914 -0.837 0.000 2.881 129 V HA 0.373 4.492 4.120 -0.001 0.000 0.303 129 V C -0.082 175.378 176.094 -1.056 0.000 1.070 129 V CA -0.080 61.692 62.300 -0.881 0.000 1.074 129 V CB 0.790 32.074 31.823 -0.899 0.000 1.012 129 V HN 0.690 nan 8.190 nan 0.000 0.482 130 Y N 0.409 120.505 120.300 -0.341 0.000 2.944 130 Y HA 0.649 5.198 4.550 -0.001 0.000 0.312 130 Y C -0.488 175.096 175.900 -0.526 0.000 1.417 130 Y CA -1.566 56.328 58.100 -0.343 0.000 1.105 130 Y CB 1.023 39.368 38.460 -0.192 0.000 1.364 130 Y HN 0.577 nan 8.280 nan 0.000 0.540 131 D N -1.221 119.032 120.400 -0.245 0.000 2.547 131 D HA 0.311 4.951 4.640 -0.001 0.000 0.231 131 D C 0.295 176.540 176.300 -0.091 0.000 1.099 131 D CA -0.863 52.855 54.000 -0.471 0.000 0.901 131 D CB 2.190 42.753 40.800 -0.396 0.000 1.478 131 D HN 0.402 nan 8.370 nan 0.000 0.471 132 K N 0.442 120.884 120.400 0.070 0.000 2.063 132 K HA -0.158 4.162 4.320 -0.001 0.000 0.208 132 K C 0.946 177.562 176.600 0.026 0.000 1.048 132 K CA 1.310 57.654 56.287 0.094 0.000 0.928 132 K CB 0.230 32.813 32.500 0.138 0.000 0.713 132 K HN 0.332 nan 8.250 nan 0.000 0.442 133 E N 0.554 120.760 120.200 0.009 0.000 2.285 133 E HA -0.067 4.283 4.350 -0.001 0.000 0.194 133 E C -0.174 176.407 176.600 -0.032 0.000 0.997 133 E CA 0.795 57.191 56.400 -0.007 0.000 0.845 133 E CB 0.241 29.939 29.700 -0.003 0.000 0.782 133 E HN 0.357 nan 8.360 nan 0.000 0.491 134 D N 0.040 120.407 120.400 -0.055 0.000 2.552 134 D HA 0.151 4.790 4.640 -0.001 0.000 0.285 134 D C -2.131 174.113 176.300 -0.092 0.000 1.206 134 D CA -1.385 52.572 54.000 -0.071 0.000 0.826 134 D CB 1.462 42.220 40.800 -0.070 0.000 1.179 134 D HN -0.104 nan 8.370 nan 0.000 0.508 135 P HA -0.128 nan 4.420 nan 0.000 0.222 135 P C 1.550 178.571 177.300 -0.464 0.000 1.147 135 P CA 1.019 64.008 63.100 -0.185 0.000 0.790 135 P CB 0.436 32.063 31.700 -0.122 0.000 0.780 136 S N -1.962 113.536 115.700 -0.335 0.000 2.468 136 S HA 0.042 4.511 4.470 -0.001 0.000 0.226 136 S C 1.046 175.482 174.600 -0.274 0.000 1.051 136 S CA -0.116 57.857 58.200 -0.378 0.000 0.943 136 S CB -0.677 62.404 63.200 -0.197 0.000 0.810 136 S HN -0.036 nan 8.310 nan 0.000 0.509 137 K N 2.549 122.875 120.400 -0.124 0.000 2.412 137 K HA 0.071 4.391 4.320 -0.001 0.000 0.284 137 K C -0.417 176.266 176.600 0.138 0.000 1.046 137 K CA 0.107 56.383 56.287 -0.018 0.000 0.999 137 K CB 0.306 32.783 32.500 -0.037 0.000 0.941 137 K HN 0.428 nan 8.250 nan 0.000 0.474 138 E N 3.620 123.908 120.200 0.147 0.000 2.371 138 E HA 0.114 4.464 4.350 -0.001 0.000 0.257 138 E C 0.356 176.893 176.600 -0.106 0.000 1.134 138 E CA -0.341 56.131 56.400 0.120 0.000 0.919 138 E CB 1.026 30.770 29.700 0.073 0.000 1.025 138 E HN 0.510 nan 8.360 nan 0.000 0.438 139 L N -0.121 120.917 121.223 -0.308 0.000 3.635 139 L HA 0.343 4.683 4.340 -0.001 0.000 0.185 139 L C 0.195 176.911 176.870 -0.258 0.000 1.293 139 L CA -0.322 54.305 54.840 -0.353 0.000 1.200 139 L CB -0.051 41.612 42.059 -0.660 0.000 1.655 139 L HN 0.502 nan 8.230 nan 0.000 0.762 140 F N -0.631 119.203 119.950 -0.193 0.000 2.746 140 F HA 0.720 5.247 4.527 -0.001 0.000 0.378 140 F C -0.467 175.217 175.800 -0.193 0.000 1.165 140 F CA -1.064 56.832 58.000 -0.173 0.000 1.089 140 F CB 0.670 39.589 39.000 -0.134 0.000 1.439 140 F HN 0.038 nan 8.300 nan 0.000 0.516 141 T N -1.509 113.202 114.554 0.262 0.000 3.160 141 T HA 0.442 4.791 4.350 -0.001 0.000 0.344 141 T C -0.927 173.839 174.700 0.110 0.000 0.981 141 T CA -0.397 61.759 62.100 0.092 0.000 1.170 141 T CB 0.164 68.795 68.868 -0.395 0.000 1.016 141 T HN 1.013 nan 8.240 nan 0.000 0.492 142 T N 1.478 116.168 114.554 0.226 0.000 2.863 142 T HA 0.482 4.832 4.350 -0.001 0.000 0.285 142 T C 0.303 175.119 174.700 0.193 0.000 1.009 142 T CA -0.630 61.481 62.100 0.019 0.000 0.989 142 T CB 0.756 69.579 68.868 -0.074 0.000 1.004 142 T HN 0.444 nan 8.240 nan 0.000 0.455 143 Y N 1.470 121.942 120.300 0.287 0.000 2.574 143 Y HA 0.120 4.669 4.550 -0.001 0.000 0.294 143 Y C 1.503 177.632 175.900 0.381 0.000 1.142 143 Y CA 0.231 58.522 58.100 0.318 0.000 1.314 143 Y CB -0.201 38.345 38.460 0.144 0.000 0.991 143 Y HN 0.614 nan 8.280 nan 0.000 0.555 144 E N 0.867 121.277 120.200 0.351 0.000 2.220 144 E HA -0.073 4.277 4.350 -0.001 0.000 0.272 144 E C -0.838 175.840 176.600 0.130 0.000 1.099 144 E CA -0.574 55.958 56.400 0.221 0.000 0.907 144 E CB 0.080 29.844 29.700 0.108 0.000 1.022 144 E HN 0.244 nan 8.360 nan 0.000 0.428 145 Y N 8.144 128.406 120.300 -0.064 0.000 2.770 145 Y HA 0.028 4.578 4.550 -0.001 0.000 0.342 145 Y C -1.809 174.011 175.900 -0.134 0.000 1.221 145 Y CA -2.296 55.609 58.100 -0.324 0.000 1.560 145 Y CB 0.591 38.968 38.460 -0.138 0.000 1.213 145 Y HN 0.444 nan 8.280 nan 0.000 0.525 146 P HA -0.029 nan 4.420 nan 0.000 0.226 146 P C 0.403 177.416 177.300 -0.479 0.000 1.783 146 P CA 0.419 63.386 63.100 -0.223 0.000 0.980 146 P CB -0.107 31.634 31.700 0.068 0.000 1.967 147 H N 3.919 122.572 119.070 -0.695 0.000 2.293 147 H HA -0.144 4.411 4.556 -0.001 0.000 0.300 147 H C 1.675 176.845 175.328 -0.262 0.000 1.082 147 H CA 2.106 57.847 56.048 -0.512 0.000 1.308 147 H CB 0.019 29.694 29.762 -0.145 0.000 1.375 147 H HN 0.243 nan 8.280 nan 0.000 0.495 148 E N 0.546 120.757 120.200 0.019 0.000 2.070 148 E HA -0.252 4.097 4.350 -0.001 0.000 0.197 148 E C 2.175 178.653 176.600 -0.205 0.000 1.004 148 E CA 1.356 57.692 56.400 -0.106 0.000 0.805 148 E CB -1.373 28.146 29.700 -0.301 0.000 0.744 148 E HN 0.504 nan 8.360 nan 0.000 0.451 149 Y N 1.546 121.780 120.300 -0.110 0.000 2.114 149 Y HA -0.072 4.477 4.550 -0.001 0.000 0.284 149 Y C 2.669 178.388 175.900 -0.301 0.000 1.143 149 Y CA 1.602 59.579 58.100 -0.205 0.000 1.135 149 Y CB -0.558 37.963 38.460 0.101 0.000 0.980 149 Y HN 0.069 nan 8.280 nan 0.000 0.499 150 K N 0.805 121.189 120.400 -0.027 0.000 2.442 150 K HA -0.186 4.134 4.320 -0.001 0.000 0.198 150 K C 1.801 178.322 176.600 -0.131 0.000 1.042 150 K CA 0.911 57.154 56.287 -0.072 0.000 0.958 150 K CB -0.082 32.337 32.500 -0.135 0.000 0.766 150 K HN 0.389 nan 8.250 nan 0.000 0.474 151 E N 0.265 120.372 120.200 -0.155 0.000 2.409 151 E HA -0.197 4.153 4.350 -0.001 0.000 0.198 151 E C 1.451 178.004 176.600 -0.079 0.000 1.024 151 E CA 0.883 57.221 56.400 -0.103 0.000 0.861 151 E CB 0.281 29.991 29.700 0.017 0.000 0.788 151 E HN 0.054 nan 8.360 nan 0.000 0.521 152 K N -1.083 119.243 120.400 -0.122 0.000 2.309 152 K HA 0.158 4.477 4.320 -0.001 0.000 0.210 152 K C 0.826 177.393 176.600 -0.056 0.000 1.114 152 K CA 1.303 57.528 56.287 -0.104 0.000 0.912 152 K CB 0.848 33.248 32.500 -0.167 0.000 1.198 152 K HN 0.036 nan 8.250 nan 0.000 0.471 153 G N 0.650 109.419 108.800 -0.052 0.000 4.820 153 G HA2 0.070 4.030 3.960 -0.001 0.000 0.223 153 G HA3 0.070 4.030 3.960 -0.001 0.000 0.223 153 G C -1.291 173.739 174.900 0.216 0.000 1.029 153 G CA -0.569 44.571 45.100 0.067 0.000 1.144 153 G HN 0.287 nan 8.290 nan 0.000 0.618 154 H N 1.400 120.493 119.070 0.039 0.000 2.594 154 H HA 0.294 4.849 4.556 -0.001 0.000 0.304 154 H C -2.358 173.001 175.328 0.052 0.000 1.068 154 H CA -1.960 54.111 56.048 0.039 0.000 1.308 154 H CB 1.844 31.621 29.762 0.025 0.000 1.409 154 H HN 0.083 nan 8.280 nan 0.000 0.460 155 P HA -0.073 nan 4.420 nan 0.000 0.269 155 P C -0.522 176.943 177.300 0.274 0.000 1.209 155 P CA -0.073 63.184 63.100 0.262 0.000 0.776 155 P CB 0.873 32.741 31.700 0.280 0.000 0.876 156 V N -0.657 119.380 119.914 0.206 0.000 3.155 156 V HA 0.996 5.116 4.120 -0.001 0.000 0.313 156 V C -0.502 175.713 176.094 0.201 0.000 1.162 156 V CA -0.639 61.730 62.300 0.115 0.000 1.048 156 V CB 1.991 33.876 31.823 0.103 0.000 1.092 156 V HN 0.651 nan 8.190 nan 0.000 0.447 157 T N 0.386 115.048 114.554 0.181 0.000 2.927 157 T HA 0.531 4.880 4.350 -0.001 0.000 0.350 157 T C -2.046 172.743 174.700 0.148 0.000 1.746 157 T CA -0.384 61.827 62.100 0.185 0.000 1.081 157 T CB 1.148 70.141 68.868 0.207 0.000 1.551 157 T HN 0.867 nan 8.240 nan 0.000 0.489 158 I N 3.915 124.529 120.570 0.074 0.000 2.389 158 I HA 0.450 4.619 4.170 -0.001 0.000 0.288 158 I C 0.316 176.372 176.117 -0.102 0.000 0.999 158 I CA -0.907 60.357 61.300 -0.061 0.000 1.129 158 I CB 1.829 39.757 38.000 -0.120 0.000 1.288 158 I HN 0.462 nan 8.210 nan 0.000 0.444 159 K N 4.613 124.967 120.400 -0.075 0.000 2.109 159 K HA 0.469 4.789 4.320 -0.001 0.000 0.243 159 K C -1.057 175.448 176.600 -0.158 0.000 1.006 159 K CA -0.636 55.593 56.287 -0.097 0.000 0.917 159 K CB 1.551 34.077 32.500 0.042 0.000 1.081 159 K HN 0.312 nan 8.250 nan 0.000 0.468 160 F N 2.016 121.663 119.950 -0.505 0.000 2.366 160 F HA 0.198 4.725 4.527 -0.001 0.000 0.366 160 F C -0.206 175.402 175.800 -0.320 0.000 1.096 160 F CA -1.327 56.352 58.000 -0.534 0.000 1.060 160 F CB 0.718 39.193 39.000 -0.875 0.000 1.282 160 F HN 0.213 nan 8.300 nan 0.000 0.450 161 K N 5.841 125.891 120.400 -0.583 0.000 2.253 161 K HA 0.170 4.490 4.320 -0.001 0.000 0.273 161 K C -0.658 175.642 176.600 -0.500 0.000 1.118 161 K CA 0.021 56.058 56.287 -0.417 0.000 1.100 161 K CB -0.565 31.647 32.500 -0.480 0.000 0.932 161 K HN 0.425 nan 8.250 nan 0.000 0.433 162 V N 4.522 124.302 119.914 -0.224 0.000 2.637 162 V HA 0.249 4.369 4.120 -0.001 0.000 0.296 162 V C 0.376 176.419 176.094 -0.085 0.000 1.046 162 V CA -0.729 61.509 62.300 -0.104 0.000 1.066 162 V CB 0.042 31.928 31.823 0.104 0.000 0.968 162 V HN 0.590 nan 8.190 nan 0.000 0.483 163 L N 3.469 124.645 121.223 -0.078 0.000 2.357 163 L HA 0.772 5.111 4.340 -0.001 0.000 0.273 163 L C -2.060 174.813 176.870 0.006 0.000 1.080 163 L CA -1.901 52.910 54.840 -0.048 0.000 0.803 163 L CB 1.145 43.168 42.059 -0.060 0.000 1.174 163 L HN 0.464 nan 8.230 nan 0.000 0.443 164 P HA 0.419 nan 4.420 nan 0.000 0.272 164 P C 0.166 177.488 177.300 0.037 0.000 1.223 164 P CA 0.511 63.628 63.100 0.029 0.000 0.784 164 P CB 1.461 33.175 31.700 0.022 0.000 0.923 165 G N 1.610 110.440 108.800 0.049 0.000 2.250 165 G HA2 0.023 3.982 3.960 -0.001 0.000 0.196 165 G HA3 0.023 3.982 3.960 -0.001 0.000 0.196 165 G C -1.562 173.383 174.900 0.075 0.000 1.308 165 G CA -0.620 44.513 45.100 0.055 0.000 1.207 165 G HN 0.637 nan 8.290 nan 0.000 0.505 166 K N -0.240 120.209 120.400 0.083 0.000 2.551 166 K HA 0.655 4.975 4.320 -0.001 0.000 0.269 166 K C -1.360 175.308 176.600 0.113 0.000 0.949 166 K CA -0.283 56.067 56.287 0.105 0.000 0.849 166 K CB 2.390 34.943 32.500 0.088 0.000 1.411 166 K HN 1.036 nan 8.250 nan 0.000 0.432 167 T N -1.228 113.409 114.554 0.137 0.000 3.008 167 T HA 0.353 4.702 4.350 -0.001 0.000 0.328 167 T C -0.072 174.733 174.700 0.175 0.000 1.020 167 T CA -0.746 61.448 62.100 0.156 0.000 1.043 167 T CB 0.670 69.636 68.868 0.163 0.000 1.010 167 T HN 0.527 nan 8.240 nan 0.000 0.466 168 S N 2.704 118.484 115.700 0.133 0.000 2.719 168 S HA 0.987 5.457 4.470 -0.001 0.000 0.285 168 S C -0.329 174.391 174.600 0.199 0.000 1.137 168 S CA -0.770 57.436 58.200 0.010 0.000 1.012 168 S CB 0.729 63.813 63.200 -0.194 0.000 1.134 168 S HN 1.238 nan 8.310 nan 0.000 0.544 169 F N -2.453 117.503 119.950 0.010 0.000 3.122 169 F HA 0.792 5.318 4.527 -0.001 0.000 0.325 169 F C -1.500 174.414 175.800 0.190 0.000 1.162 169 F CA -1.108 56.987 58.000 0.159 0.000 0.876 169 F CB 0.859 39.988 39.000 0.216 0.000 1.429 169 F HN 0.591 nan 8.300 nan 0.000 0.484 170 E N 1.156 121.744 120.200 0.648 0.000 2.145 170 E HA 0.353 4.703 4.350 -0.001 0.000 0.262 170 E C -2.023 174.943 176.600 0.611 0.000 0.883 170 E CA -0.297 56.393 56.400 0.484 0.000 0.748 170 E CB 1.229 31.148 29.700 0.365 0.000 1.140 170 E HN 0.663 nan 8.360 nan 0.000 0.417 171 D N 3.707 124.403 120.400 0.493 0.000 2.274 171 D HA 0.171 4.810 4.640 -0.001 0.000 0.239 171 D C 0.958 177.456 176.300 0.330 0.000 1.104 171 D CA -0.316 53.997 54.000 0.522 0.000 0.840 171 D CB 0.989 42.105 40.800 0.527 0.000 1.100 171 D HN 0.530 nan 8.370 nan 0.000 0.477 172 L N 3.032 124.443 121.223 0.313 0.000 2.129 172 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 172 L C 1.765 178.752 176.870 0.195 0.000 1.087 172 L CA 0.724 55.705 54.840 0.236 0.000 0.757 172 L CB -0.411 41.797 42.059 0.247 0.000 0.896 172 L HN 0.528 nan 8.230 nan 0.000 0.434 173 L N -0.803 120.546 121.223 0.210 0.000 2.265 173 L HA 0.037 4.377 4.340 -0.001 0.000 0.195 173 L C 2.174 179.120 176.870 0.126 0.000 1.083 173 L CA 1.446 56.377 54.840 0.152 0.000 0.798 173 L CB -0.386 41.758 42.059 0.141 0.000 0.989 173 L HN -0.074 nan 8.230 nan 0.000 0.472 174 K N 0.902 121.388 120.400 0.142 0.000 2.504 174 K HA 0.232 4.552 4.320 -0.001 0.000 0.195 174 K C 1.105 177.750 176.600 0.076 0.000 1.036 174 K CA 0.723 57.063 56.287 0.090 0.000 0.984 174 K CB -0.739 31.803 32.500 0.071 0.000 0.788 174 K HN 0.572 nan 8.250 nan 0.000 0.488 175 G N 1.172 110.043 108.800 0.117 0.000 2.527 175 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.262 175 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.262 175 G C -0.819 174.167 174.900 0.145 0.000 1.153 175 G CA 0.041 45.215 45.100 0.124 0.000 0.954 175 G HN 0.262 nan 8.290 nan 0.000 0.552 176 Y N 2.635 122.915 120.300 -0.033 0.000 2.383 176 Y HA 0.719 5.268 4.550 -0.001 0.000 0.344 176 Y C 0.347 176.121 175.900 -0.209 0.000 0.986 176 Y CA -1.092 56.951 58.100 -0.095 0.000 1.175 176 Y CB 0.551 38.977 38.460 -0.057 0.000 1.152 176 Y HN 0.453 nan 8.280 nan 0.000 0.511 177 M N 5.731 124.817 119.600 -0.858 0.000 2.268 177 M HA 0.274 4.753 4.480 -0.001 0.000 0.344 177 M C -0.849 174.794 176.300 -1.095 0.000 1.106 177 M CA -0.306 54.409 55.300 -0.975 0.000 1.010 177 M CB 1.355 33.171 32.600 -1.307 0.000 1.649 177 M HN 0.718 nan 8.290 nan 0.000 0.443 178 E N 3.019 122.806 120.200 -0.688 0.000 2.325 178 E HA 0.365 4.715 4.350 -0.001 0.000 0.248 178 E C -1.916 174.569 176.600 -0.191 0.000 0.912 178 E CA -0.250 55.881 56.400 -0.448 0.000 0.782 178 E CB 1.248 30.717 29.700 -0.385 0.000 1.264 178 E HN 0.445 nan 8.360 nan 0.000 0.417 179 F N 2.475 122.320 119.950 -0.176 0.000 2.397 179 F HA 0.332 4.859 4.527 -0.001 0.000 0.331 179 F C 0.114 175.895 175.800 -0.032 0.000 1.090 179 F CA -0.787 57.166 58.000 -0.080 0.000 1.065 179 F CB 1.387 40.369 39.000 -0.030 0.000 1.184 179 F HN 0.409 nan 8.300 nan 0.000 0.499 180 D N 2.031 122.645 120.400 0.355 0.000 2.175 180 D HA 0.231 4.870 4.640 -0.001 0.000 0.248 180 D C 0.333 176.832 176.300 0.333 0.000 1.047 180 D CA -0.032 54.116 54.000 0.247 0.000 0.883 180 D CB 0.802 41.661 40.800 0.098 0.000 1.180 180 D HN 0.603 nan 8.370 nan 0.000 0.438 181 N N 0.738 119.552 118.700 0.189 0.000 2.376 181 N HA -0.074 4.666 4.740 -0.001 0.000 0.177 181 N C 0.978 176.564 175.510 0.127 0.000 1.024 181 N CA 0.120 53.256 53.050 0.143 0.000 0.893 181 N CB 0.247 38.797 38.487 0.105 0.000 0.980 181 N HN 0.225 nan 8.380 nan 0.000 0.439 182 S N -0.130 115.639 115.700 0.114 0.000 2.555 182 S HA -0.026 4.443 4.470 -0.001 0.000 0.230 182 S C 1.671 176.334 174.600 0.105 0.000 0.978 182 S CA 0.814 59.068 58.200 0.090 0.000 0.934 182 S CB 0.011 63.251 63.200 0.066 0.000 0.766 182 S HN 0.355 nan 8.310 nan 0.000 0.533 183 T N 1.826 116.473 114.554 0.155 0.000 3.009 183 T HA 0.248 4.598 4.350 -0.001 0.000 0.258 183 T C 0.504 175.307 174.700 0.171 0.000 1.063 183 T CA 0.348 62.555 62.100 0.179 0.000 1.139 183 T CB -0.038 68.998 68.868 0.281 0.000 0.890 183 T HN 0.249 nan 8.240 nan 0.000 0.471 184 L N 2.597 123.910 121.223 0.151 0.000 2.281 184 L HA 0.296 4.636 4.340 -0.001 0.000 0.285 184 L C 0.738 177.683 176.870 0.125 0.000 1.074 184 L CA -0.726 54.168 54.840 0.091 0.000 0.817 184 L CB 0.733 42.794 42.059 0.003 0.000 1.168 184 L HN 0.075 nan 8.230 nan 0.000 0.434 185 E N 2.033 122.312 120.200 0.131 0.000 4.068 185 E HA 0.123 4.473 4.350 -0.001 0.000 0.355 185 E C -0.591 176.139 176.600 0.217 0.000 1.511 185 E CA -0.193 56.292 56.400 0.141 0.000 1.957 185 E CB 0.447 30.217 29.700 0.116 0.000 1.345 185 E HN 0.421 nan 8.360 nan 0.000 0.796 186 D N 1.156 121.665 120.400 0.181 0.000 2.443 186 D HA 0.203 4.843 4.640 -0.001 0.000 0.221 186 D C -0.260 176.156 176.300 0.193 0.000 1.097 186 D CA -0.180 53.921 54.000 0.169 0.000 0.865 186 D CB 0.063 40.914 40.800 0.085 0.000 1.034 186 D HN 0.103 nan 8.370 nan 0.000 0.511 187 F N 0.531 120.536 119.950 0.091 0.000 2.368 187 F HA 0.554 5.081 4.527 -0.001 0.000 0.315 187 F C 0.139 175.985 175.800 0.076 0.000 1.145 187 F CA -1.259 56.786 58.000 0.075 0.000 1.095 187 F CB 0.366 39.404 39.000 0.062 0.000 1.286 187 F HN 0.061 nan 8.300 nan 0.000 0.530 188 I N 2.157 122.802 120.570 0.125 0.000 2.385 188 I HA 0.242 4.412 4.170 -0.001 0.000 0.294 188 I C 0.925 177.060 176.117 0.029 0.000 0.988 188 I CA -0.520 60.791 61.300 0.019 0.000 1.265 188 I CB 1.730 39.790 38.000 0.100 0.000 1.388 188 I HN 0.836 nan 8.210 nan 0.000 0.480 189 I N 2.322 122.810 120.570 -0.137 0.000 4.032 189 I HA 0.288 4.458 4.170 -0.001 0.000 0.313 189 I C 0.469 176.593 176.117 0.011 0.000 1.272 189 I CA 0.235 61.409 61.300 -0.209 0.000 1.307 189 I CB 0.571 38.041 38.000 -0.884 0.000 1.155 189 I HN 0.444 nan 8.210 nan 0.000 0.431 190 M N 3.051 122.667 119.600 0.027 0.000 2.018 190 M HA 0.454 4.933 4.480 -0.001 0.000 0.311 190 M C -0.523 175.884 176.300 0.178 0.000 0.928 190 M CA -0.677 54.736 55.300 0.188 0.000 0.911 190 M CB 0.803 33.518 32.600 0.191 0.000 1.447 190 M HN 0.007 nan 8.290 nan 0.000 0.407 191 K N 1.049 121.571 120.400 0.204 0.000 2.285 191 K HA 0.104 4.424 4.320 -0.001 0.000 0.255 191 K C 1.151 177.854 176.600 0.171 0.000 1.000 191 K CA 0.562 56.962 56.287 0.189 0.000 0.887 191 K CB 0.322 32.952 32.500 0.217 0.000 0.997 191 K HN 0.837 nan 8.250 nan 0.000 0.510 192 S N 0.910 116.707 115.700 0.162 0.000 2.355 192 S HA -0.183 4.286 4.470 -0.001 0.000 0.222 192 S C 1.402 176.056 174.600 0.089 0.000 1.031 192 S CA 1.649 59.937 58.200 0.147 0.000 0.993 192 S CB -0.526 62.761 63.200 0.146 0.000 0.859 192 S HN 0.564 nan 8.310 nan 0.000 0.453 193 N N 2.163 120.911 118.700 0.080 0.000 2.334 193 N HA 0.129 4.868 4.740 -0.001 0.000 0.187 193 N C 1.310 176.688 175.510 -0.220 0.000 1.016 193 N CA 1.386 54.432 53.050 -0.006 0.000 0.879 193 N CB -0.598 37.968 38.487 0.132 0.000 0.965 193 N HN 0.783 nan 8.380 nan 0.000 0.438 194 G N -2.684 106.022 108.800 -0.156 0.000 2.175 194 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.182 194 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.182 194 G C -0.330 174.427 174.900 -0.238 0.000 1.003 194 G CA -0.601 44.372 45.100 -0.211 0.000 0.666 194 G HN 0.160 nan 8.290 nan 0.000 0.506 195 F N 1.972 122.008 119.950 0.143 0.000 2.432 195 F HA 0.674 5.201 4.527 -0.001 0.000 0.329 195 F C -1.597 174.287 175.800 0.139 0.000 1.076 195 F CA -2.701 55.377 58.000 0.130 0.000 1.018 195 F CB 1.742 40.797 39.000 0.092 0.000 1.201 195 F HN -0.139 nan 8.300 nan 0.000 0.489 196 P HA 0.221 nan 4.420 nan 0.000 0.284 196 P C -0.586 176.807 177.300 0.156 0.000 1.258 196 P CA -0.343 62.894 63.100 0.228 0.000 0.824 196 P CB 1.540 33.123 31.700 -0.195 0.000 1.038 197 T N -0.855 113.845 114.554 0.244 0.000 2.770 197 T HA 0.092 4.441 4.350 -0.001 0.000 0.281 197 T C 1.151 175.948 174.700 0.162 0.000 0.981 197 T CA -0.159 62.065 62.100 0.207 0.000 0.955 197 T CB -0.006 69.011 68.868 0.249 0.000 1.060 197 T HN 0.436 nan 8.240 nan 0.000 0.531 198 Y N 1.593 121.932 120.300 0.065 0.000 2.036 198 Y HA -0.170 4.380 4.550 -0.001 0.000 0.273 198 Y C 2.331 178.245 175.900 0.024 0.000 1.135 198 Y CA 2.090 60.201 58.100 0.018 0.000 1.106 198 Y CB -0.805 37.671 38.460 0.027 0.000 0.976 198 Y HN 0.597 nan 8.280 nan 0.000 0.483 199 N N 0.200 118.952 118.700 0.087 0.000 2.651 199 N HA -0.207 4.533 4.740 -0.001 0.000 0.193 199 N C 1.468 176.994 175.510 0.027 0.000 1.149 199 N CA 1.384 54.396 53.050 -0.063 0.000 0.933 199 N CB -0.499 38.005 38.487 0.028 0.000 0.974 199 N HN 0.548 nan 8.380 nan 0.000 0.448 200 F N 0.841 120.719 119.950 -0.120 0.000 2.289 200 F HA 0.094 4.621 4.527 -0.001 0.000 0.280 200 F C 2.299 178.008 175.800 -0.151 0.000 1.045 200 F CA 0.273 58.217 58.000 -0.092 0.000 1.236 200 F CB -0.067 38.911 39.000 -0.038 0.000 1.116 200 F HN -0.007 nan 8.300 nan 0.000 0.550 201 A N 0.507 123.112 122.820 -0.360 0.000 1.917 201 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 201 A C 2.080 179.513 177.584 -0.252 0.000 1.182 201 A CA 2.062 53.754 52.037 -0.575 0.000 0.633 201 A CB -1.358 17.240 19.000 -0.670 0.000 0.819 201 A HN 0.326 nan 8.150 nan 0.000 0.448 202 V N -0.319 119.393 119.914 -0.335 0.000 2.214 202 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 202 V C 2.561 178.564 176.094 -0.152 0.000 1.051 202 V CA 2.228 64.335 62.300 -0.321 0.000 1.003 202 V CB -1.151 30.297 31.823 -0.625 0.000 0.635 202 V HN 0.389 nan 8.190 nan 0.000 0.447 203 V N -0.134 119.686 119.914 -0.157 0.000 2.278 203 V HA -0.298 3.821 4.120 -0.001 0.000 0.251 203 V C 2.365 178.471 176.094 0.020 0.000 1.062 203 V CA 2.291 64.505 62.300 -0.142 0.000 1.038 203 V CB -0.786 30.882 31.823 -0.258 0.000 0.646 203 V HN 0.412 nan 8.190 nan 0.000 0.447 204 V N 0.273 120.189 119.914 0.004 0.000 2.237 204 V HA -0.254 3.866 4.120 -0.001 0.000 0.245 204 V C 2.270 178.293 176.094 -0.119 0.000 1.046 204 V CA 2.382 64.638 62.300 -0.074 0.000 1.007 204 V CB -0.806 31.014 31.823 -0.004 0.000 0.638 204 V HN 0.529 nan 8.190 nan 0.000 0.445 205 D N 0.118 120.501 120.400 -0.028 0.000 2.144 205 D HA -0.145 4.495 4.640 -0.001 0.000 0.199 205 D C 1.714 177.956 176.300 -0.096 0.000 0.984 205 D CA 1.269 55.235 54.000 -0.056 0.000 0.834 205 D CB -0.537 40.259 40.800 -0.006 0.000 0.955 205 D HN 0.451 nan 8.370 nan 0.000 0.465 206 D N -1.417 118.953 120.400 -0.049 0.000 2.403 206 D HA -0.102 4.537 4.640 -0.001 0.000 0.227 206 D C 1.448 177.716 176.300 -0.053 0.000 0.995 206 D CA 0.868 54.854 54.000 -0.024 0.000 0.928 206 D CB 0.174 41.032 40.800 0.097 0.000 0.887 206 D HN 0.349 nan 8.370 nan 0.000 0.529 207 H N -0.910 117.992 119.070 -0.280 0.000 2.326 207 H HA 0.283 4.838 4.556 -0.001 0.000 0.272 207 H C 1.629 176.700 175.328 -0.428 0.000 0.949 207 H CA 0.236 55.996 56.048 -0.480 0.000 1.175 207 H CB -0.052 29.099 29.762 -1.017 0.000 1.462 207 H HN -0.057 nan 8.280 nan 0.000 0.514 208 L N 0.345 121.330 121.223 -0.396 0.000 2.353 208 L HA -0.058 4.282 4.340 -0.001 0.000 0.220 208 L C 1.294 178.061 176.870 -0.171 0.000 1.133 208 L CA 1.044 55.723 54.840 -0.268 0.000 0.798 208 L CB -0.238 41.739 42.059 -0.137 0.000 0.922 208 L HN 0.388 nan 8.230 nan 0.000 0.445 209 M N -1.013 118.409 119.600 -0.298 0.000 2.383 209 M HA 0.151 4.630 4.480 -0.001 0.000 0.247 209 M C 0.095 176.043 176.300 -0.586 0.000 1.117 209 M CA 0.013 55.013 55.300 -0.500 0.000 0.995 209 M CB 0.441 32.851 32.600 -0.317 0.000 1.480 209 M HN 0.030 nan 8.290 nan 0.000 0.485 210 R N 1.134 121.368 120.500 -0.444 0.000 3.405 210 R HA -0.150 4.190 4.340 -0.001 0.000 0.258 210 R C -0.671 175.447 176.300 -0.304 0.000 1.030 210 R CA 0.205 56.084 56.100 -0.369 0.000 0.691 210 R CB -2.104 28.019 30.300 -0.295 0.000 1.093 210 R HN 0.319 nan 8.270 nan 0.000 0.448 211 I N 1.233 121.643 120.570 -0.267 0.000 2.598 211 I HA -0.069 4.100 4.170 -0.001 0.000 0.284 211 I C 2.013 177.972 176.117 -0.262 0.000 1.140 211 I CA 0.821 61.991 61.300 -0.216 0.000 1.420 211 I CB 1.129 39.034 38.000 -0.159 0.000 1.387 211 I HN 0.287 nan 8.210 nan 0.000 0.553 212 S N 5.615 121.131 115.700 -0.307 0.000 2.483 212 S HA 0.123 4.592 4.470 -0.001 0.000 0.221 212 S C 0.570 174.720 174.600 -0.750 0.000 1.030 212 S CA 0.161 58.054 58.200 -0.511 0.000 0.925 212 S CB 0.229 63.091 63.200 -0.563 0.000 0.795 212 S HN 0.666 nan 8.310 nan 0.000 0.511 213 H N -0.146 118.785 119.070 -0.232 0.000 2.768 213 H HA 0.652 5.208 4.556 -0.001 0.000 0.371 213 H C -1.537 173.468 175.328 -0.538 0.000 1.151 213 H CA -0.814 54.948 56.048 -0.477 0.000 1.165 213 H CB 2.094 31.531 29.762 -0.541 0.000 1.722 213 H HN 0.028 nan 8.280 nan 0.000 0.543 214 V N 3.558 123.146 119.914 -0.544 0.000 2.380 214 V HA 0.120 4.240 4.120 -0.001 0.000 0.272 214 V C -0.709 175.223 176.094 -0.269 0.000 1.011 214 V CA -0.469 61.675 62.300 -0.260 0.000 0.826 214 V CB 0.066 31.920 31.823 0.052 0.000 1.040 214 V HN 0.515 nan 8.190 nan 0.000 0.441 215 F N 4.050 124.094 119.950 0.157 0.000 2.894 215 F HA 0.390 4.917 4.527 -0.001 0.000 0.310 215 F C 1.479 177.338 175.800 0.098 0.000 1.204 215 F CA -0.898 57.201 58.000 0.165 0.000 1.290 215 F CB -0.209 39.023 39.000 0.385 0.000 1.317 215 F HN 0.464 nan 8.300 nan 0.000 0.545 216 R N -0.429 120.121 120.500 0.084 0.000 2.954 216 R HA 0.551 4.891 4.340 -0.001 0.000 0.276 216 R C 0.810 177.138 176.300 0.046 0.000 1.218 216 R CA -0.274 55.865 56.100 0.065 0.000 1.149 216 R CB -0.255 30.023 30.300 -0.037 0.000 1.112 216 R HN 0.305 nan 8.270 nan 0.000 0.577 217 G N -1.306 107.578 108.800 0.141 0.000 2.580 217 G HA2 0.005 3.965 3.960 -0.001 0.000 0.278 217 G HA3 0.005 3.965 3.960 -0.001 0.000 0.278 217 G C 0.209 175.201 174.900 0.153 0.000 1.212 217 G CA -0.391 44.779 45.100 0.117 0.000 0.939 217 G HN 0.870 nan 8.290 nan 0.000 0.513 218 E N -0.238 120.037 120.200 0.125 0.000 2.051 218 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 218 E C 1.901 178.585 176.600 0.140 0.000 0.991 218 E CA 1.479 57.981 56.400 0.169 0.000 0.799 218 E CB -0.122 29.630 29.700 0.086 0.000 0.748 218 E HN 0.626 nan 8.360 nan 0.000 0.449 219 D N -0.120 120.282 120.400 0.004 0.000 2.357 219 D HA -0.232 4.407 4.640 -0.001 0.000 0.216 219 D C 0.855 177.049 176.300 -0.176 0.000 0.973 219 D CA 0.992 54.921 54.000 -0.118 0.000 0.912 219 D CB -0.509 40.151 40.800 -0.233 0.000 0.900 219 D HN 0.390 nan 8.370 nan 0.000 0.501 220 H N -0.373 118.769 119.070 0.121 0.000 2.507 220 H HA 0.154 4.709 4.556 -0.001 0.000 0.294 220 H C 1.530 176.982 175.328 0.206 0.000 1.064 220 H CA -0.298 55.826 56.048 0.127 0.000 1.138 220 H CB 0.617 30.460 29.762 0.136 0.000 1.515 220 H HN 0.153 nan 8.280 nan 0.000 0.547 221 L N 0.282 121.614 121.223 0.180 0.000 2.179 221 L HA 0.022 4.362 4.340 -0.001 0.000 0.208 221 L C 1.596 178.478 176.870 0.019 0.000 1.096 221 L CA 1.279 56.043 54.840 -0.126 0.000 0.779 221 L CB 0.035 42.022 42.059 -0.119 0.000 0.922 221 L HN -0.073 nan 8.230 nan 0.000 0.443 222 S N -0.348 115.392 115.700 0.067 0.000 2.593 222 S HA 0.074 4.543 4.470 -0.001 0.000 0.217 222 S C 1.201 175.728 174.600 -0.121 0.000 0.966 222 S CA 0.499 58.749 58.200 0.084 0.000 0.914 222 S CB -0.342 62.935 63.200 0.128 0.000 0.776 222 S HN 0.535 nan 8.310 nan 0.000 0.523 223 N N 0.496 119.161 118.700 -0.059 0.000 2.407 223 N HA 0.074 4.814 4.740 -0.001 0.000 0.182 223 N C 1.533 176.967 175.510 -0.126 0.000 1.079 223 N CA 0.537 53.537 53.050 -0.083 0.000 0.882 223 N CB -0.220 38.336 38.487 0.114 0.000 1.106 223 N HN 0.089 nan 8.380 nan 0.000 0.461 224 T N 1.526 115.999 114.554 -0.135 0.000 2.653 224 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 224 T C -0.904 173.661 174.700 -0.226 0.000 1.035 224 T CA 1.471 63.378 62.100 -0.322 0.000 1.154 224 T CB -1.118 67.345 68.868 -0.676 0.000 0.862 224 T HN 0.232 nan 8.240 nan 0.000 0.441 225 P HA -0.037 nan 4.420 nan 0.000 0.215 225 P C 1.218 178.429 177.300 -0.148 0.000 1.153 225 P CA 1.154 64.180 63.100 -0.124 0.000 0.853 225 P CB -0.068 31.414 31.700 -0.363 0.000 0.788 226 K N -0.692 119.539 120.400 -0.282 0.000 2.519 226 K HA -0.120 4.200 4.320 -0.001 0.000 0.196 226 K C 1.896 178.371 176.600 -0.208 0.000 1.041 226 K CA 0.979 57.066 56.287 -0.334 0.000 0.954 226 K CB -0.147 31.948 32.500 -0.676 0.000 0.774 226 K HN 0.361 nan 8.250 nan 0.000 0.480 227 Q N -0.218 119.499 119.800 -0.138 0.000 2.462 227 Q HA 0.131 4.470 4.340 -0.001 0.000 0.224 227 Q C 1.905 177.887 176.000 -0.030 0.000 0.911 227 Q CA 0.097 55.813 55.803 -0.144 0.000 0.925 227 Q CB 0.223 28.890 28.738 -0.118 0.000 1.063 227 Q HN 0.189 nan 8.270 nan 0.000 0.572 228 L N 0.553 121.887 121.223 0.185 0.000 2.261 228 L HA -0.150 4.189 4.340 -0.001 0.000 0.216 228 L C 2.232 179.275 176.870 0.289 0.000 1.114 228 L CA 1.057 56.143 54.840 0.410 0.000 0.777 228 L CB -0.342 41.900 42.059 0.304 0.000 0.910 228 L HN 0.326 nan 8.230 nan 0.000 0.440 229 M N -0.998 118.713 119.600 0.185 0.000 2.419 229 M HA -0.082 4.398 4.480 -0.001 0.000 0.264 229 M C 2.016 178.451 176.300 0.225 0.000 1.082 229 M CA 1.396 56.838 55.300 0.236 0.000 1.119 229 M CB -0.036 32.763 32.600 0.331 0.000 1.398 229 M HN 0.201 nan 8.290 nan 0.000 0.453 230 I N -1.464 119.096 120.570 -0.018 0.000 2.852 230 I HA -0.161 4.009 4.170 -0.001 0.000 0.264 230 I C 1.893 177.922 176.117 -0.146 0.000 1.179 230 I CA 0.749 61.888 61.300 -0.269 0.000 1.480 230 I CB -0.284 37.456 38.000 -0.434 0.000 1.111 230 I HN 0.140 nan 8.210 nan 0.000 0.441 231 Y N 1.352 121.713 120.300 0.101 0.000 2.145 231 Y HA -0.275 4.275 4.550 -0.001 0.000 0.286 231 Y C 2.681 178.568 175.900 -0.021 0.000 1.145 231 Y CA 1.729 59.930 58.100 0.168 0.000 1.148 231 Y CB -0.540 38.068 38.460 0.247 0.000 0.981 231 Y HN 0.124 nan 8.280 nan 0.000 0.507 232 E N 0.424 120.719 120.200 0.159 0.000 2.150 232 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 232 E C 2.150 178.682 176.600 -0.112 0.000 0.985 232 E CA 1.043 57.469 56.400 0.044 0.000 0.814 232 E CB -0.453 29.293 29.700 0.077 0.000 0.752 232 E HN 0.301 nan 8.360 nan 0.000 0.466 233 A N -0.706 121.995 122.820 -0.199 0.000 2.084 233 A HA -0.126 4.193 4.320 -0.001 0.000 0.221 233 A C 1.422 178.595 177.584 -0.684 0.000 1.161 233 A CA 1.415 53.210 52.037 -0.403 0.000 0.653 233 A CB -0.574 18.195 19.000 -0.385 0.000 0.802 233 A HN 0.350 nan 8.150 nan 0.000 0.457 234 F N -2.058 117.616 119.950 -0.460 0.000 2.746 234 F HA 0.394 4.921 4.527 -0.001 0.000 0.313 234 F C 1.620 177.073 175.800 -0.578 0.000 1.095 234 F CA 0.069 57.630 58.000 -0.731 0.000 1.224 234 F CB 0.153 38.104 39.000 -1.749 0.000 1.060 234 F HN 0.291 nan 8.300 nan 0.000 0.584 235 G N -0.114 108.559 108.800 -0.212 0.000 2.204 235 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.244 235 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.244 235 G C -0.074 174.904 174.900 0.130 0.000 1.062 235 G CA -0.348 44.740 45.100 -0.019 0.000 0.798 235 G HN 0.105 nan 8.290 nan 0.000 0.496 236 W N -0.358 120.991 121.300 0.083 0.000 2.365 236 W HA 0.752 5.411 4.660 -0.001 0.000 0.410 236 W C 0.678 177.193 176.519 -0.007 0.000 1.634 236 W CA -1.141 56.191 57.345 -0.022 0.000 1.761 236 W CB 0.478 29.819 29.460 -0.199 0.000 1.485 236 W HN 0.282 nan 8.180 nan 0.000 0.706 237 E N 0.300 120.609 120.200 0.182 0.000 2.207 237 E HA 0.588 4.938 4.350 -0.001 0.000 0.270 237 E C -1.161 175.272 176.600 -0.279 0.000 0.927 237 E CA -0.625 55.771 56.400 -0.007 0.000 0.799 237 E CB 1.888 31.589 29.700 0.001 0.000 1.172 237 E HN 0.355 nan 8.360 nan 0.000 0.404 238 A N 4.777 127.392 122.820 -0.341 0.000 2.274 238 A HA 0.467 4.787 4.320 -0.001 0.000 0.309 238 A C -2.238 175.022 177.584 -0.540 0.000 1.226 238 A CA -1.360 50.319 52.037 -0.597 0.000 0.853 238 A CB 0.368 19.201 19.000 -0.277 0.000 1.146 238 A HN 0.501 nan 8.150 nan 0.000 0.518 239 P HA 0.188 nan 4.420 nan 0.000 0.275 239 P C -0.204 176.570 177.300 -0.876 0.000 1.228 239 P CA -0.210 62.495 63.100 -0.659 0.000 0.786 239 P CB 0.813 32.170 31.700 -0.572 0.000 0.927 240 V N 3.679 123.315 119.914 -0.462 0.000 2.506 240 V HA -0.118 4.002 4.120 -0.001 0.000 0.296 240 V C 0.799 176.669 176.094 -0.373 0.000 1.004 240 V CA 0.914 63.062 62.300 -0.253 0.000 1.150 240 V CB -1.717 30.161 31.823 0.091 0.000 0.911 240 V HN 0.333 nan 8.190 nan 0.000 0.476 241 F N 4.659 124.594 119.950 -0.024 0.000 2.362 241 F HA 0.763 5.290 4.527 -0.001 0.000 0.311 241 F C 0.333 176.179 175.800 0.076 0.000 1.161 241 F CA -1.060 56.912 58.000 -0.047 0.000 1.085 241 F CB 1.110 40.083 39.000 -0.045 0.000 1.311 241 F HN 0.469 nan 8.300 nan 0.000 0.524 242 M N 1.200 121.014 119.600 0.358 0.000 2.431 242 M HA 0.277 4.757 4.480 -0.001 0.000 0.213 242 M C -2.425 174.015 176.300 0.233 0.000 0.955 242 M CA -0.263 55.270 55.300 0.388 0.000 0.844 242 M CB 0.436 33.386 32.600 0.584 0.000 2.440 242 M HN 0.519 nan 8.290 nan 0.000 0.434 243 H N 5.268 124.455 119.070 0.195 0.000 2.581 243 H HA 0.674 5.229 4.556 -0.001 0.000 0.308 243 H C -0.642 174.722 175.328 0.060 0.000 1.040 243 H CA -0.222 55.906 56.048 0.133 0.000 1.231 243 H CB 0.840 30.683 29.762 0.136 0.000 1.396 243 H HN 0.671 nan 8.280 nan 0.000 0.467 244 I N 4.948 125.550 120.570 0.054 0.000 2.440 244 I HA 0.246 4.415 4.170 -0.001 0.000 0.294 244 I C -2.077 174.046 176.117 0.010 0.000 0.995 244 I CA -2.230 59.044 61.300 -0.042 0.000 1.306 244 I CB 1.369 39.238 38.000 -0.218 0.000 1.407 244 I HN 0.337 nan 8.210 nan 0.000 0.501 245 P HA 0.073 nan 4.420 nan 0.000 0.266 245 P C -0.655 176.652 177.300 0.011 0.000 1.195 245 P CA 0.014 63.126 63.100 0.020 0.000 0.768 245 P CB 0.375 32.086 31.700 0.018 0.000 0.838 246 L N 3.528 124.760 121.223 0.016 0.000 2.426 246 L HA 0.183 4.523 4.340 -0.001 0.000 0.271 246 L C 0.938 177.825 176.870 0.029 0.000 1.169 246 L CA -0.259 54.589 54.840 0.014 0.000 0.836 246 L CB -0.045 42.021 42.059 0.012 0.000 1.112 246 L HN 0.287 nan 8.230 nan 0.000 0.465 247 I N 4.401 125.000 120.570 0.047 0.000 2.357 247 I HA 0.040 4.210 4.170 -0.001 0.000 0.300 247 I C 0.342 176.503 176.117 0.072 0.000 1.159 247 I CA 0.019 61.361 61.300 0.069 0.000 1.339 247 I CB -0.227 37.835 38.000 0.104 0.000 1.458 247 I HN 0.389 nan 8.210 nan 0.000 0.577 248 L N 5.148 126.396 121.223 0.041 0.000 2.467 248 L HA 0.252 4.592 4.340 -0.001 0.000 0.270 248 L C 1.303 178.166 176.870 -0.013 0.000 1.205 248 L CA -0.097 54.754 54.840 0.018 0.000 0.828 248 L CB 0.246 42.311 42.059 0.011 0.000 1.101 248 L HN 0.562 nan 8.230 nan 0.000 0.479 249 G N -0.166 108.580 108.800 -0.091 0.000 2.630 249 G HA2 0.227 4.187 3.960 -0.001 0.000 0.223 249 G HA3 0.227 4.187 3.960 -0.001 0.000 0.223 249 G C 0.932 175.771 174.900 -0.103 0.000 1.434 249 G CA 0.286 45.279 45.100 -0.178 0.000 1.057 249 G HN 0.701 nan 8.290 nan 0.000 0.570 250 S N -0.042 115.597 115.700 -0.102 0.000 2.387 250 S HA -0.133 4.337 4.470 -0.001 0.000 0.226 250 S C 1.545 176.141 174.600 -0.007 0.000 1.026 250 S CA 1.775 59.964 58.200 -0.017 0.000 0.972 250 S CB -0.297 62.925 63.200 0.037 0.000 0.814 250 S HN 0.646 nan 8.310 nan 0.000 0.477 251 D N 0.937 121.328 120.400 -0.015 0.000 2.352 251 D HA -0.039 4.600 4.640 -0.001 0.000 0.232 251 D C 0.274 176.586 176.300 0.020 0.000 1.055 251 D CA 0.023 54.040 54.000 0.028 0.000 0.891 251 D CB -0.379 40.471 40.800 0.083 0.000 0.897 251 D HN 0.156 nan 8.370 nan 0.000 0.529 252 R N -0.927 119.571 120.500 -0.002 0.000 3.878 252 R HA -0.106 4.233 4.340 -0.001 0.000 0.330 252 R C -0.595 175.715 176.300 0.017 0.000 1.186 252 R CA 0.686 56.789 56.100 0.006 0.000 0.885 252 R CB -3.210 27.098 30.300 0.013 0.000 1.377 252 R HN 0.283 nan 8.270 nan 0.000 0.523 253 T N 1.464 116.030 114.554 0.020 0.000 2.807 253 T HA 0.431 4.781 4.350 -0.001 0.000 0.279 253 T C -2.552 172.187 174.700 0.065 0.000 0.993 253 T CA -1.424 60.711 62.100 0.059 0.000 0.970 253 T CB 2.455 71.392 68.868 0.115 0.000 0.950 253 T HN -0.195 nan 8.240 nan 0.000 0.441 254 P HA -0.020 nan 4.420 nan 0.000 0.259 254 P C -0.038 177.374 177.300 0.186 0.000 1.155 254 P CA 0.111 63.275 63.100 0.107 0.000 0.759 254 P CB 0.177 31.925 31.700 0.080 0.000 0.753 255 L N 2.447 123.793 121.223 0.205 0.000 2.593 255 L HA -0.002 4.337 4.340 -0.001 0.000 0.287 255 L C 1.138 178.160 176.870 0.253 0.000 1.243 255 L CA 1.022 55.971 54.840 0.183 0.000 0.890 255 L CB -0.253 41.779 42.059 -0.044 0.000 1.134 255 L HN 0.557 nan 8.230 nan 0.000 0.502 256 S N 1.292 117.134 115.700 0.236 0.000 2.794 256 S HA 0.463 4.933 4.470 -0.001 0.000 0.299 256 S C 0.133 174.707 174.600 -0.042 0.000 1.179 256 S CA -1.035 57.207 58.200 0.070 0.000 0.838 256 S CB 1.656 64.876 63.200 0.032 0.000 1.206 256 S HN 0.388 nan 8.310 nan 0.000 0.523 257 K N 0.835 121.191 120.400 -0.073 0.000 2.439 257 K HA 0.109 4.428 4.320 -0.001 0.000 0.197 257 K C 2.053 178.585 176.600 -0.114 0.000 1.041 257 K CA 0.879 57.112 56.287 -0.090 0.000 0.970 257 K CB -0.353 32.095 32.500 -0.086 0.000 0.773 257 K HN 0.667 nan 8.250 nan 0.000 0.479 258 R N -0.744 119.634 120.500 -0.203 0.000 2.236 258 R HA 0.028 4.368 4.340 -0.001 0.000 0.208 258 R C 0.611 176.756 176.300 -0.257 0.000 1.036 258 R CA 0.999 56.947 56.100 -0.253 0.000 1.001 258 R CB -0.201 29.894 30.300 -0.343 0.000 0.896 258 R HN 0.209 nan 8.270 nan 0.000 0.464 259 H N 0.496 119.559 119.070 -0.012 0.000 2.517 259 H HA 0.305 4.860 4.556 -0.001 0.000 0.282 259 H C 0.147 175.479 175.328 0.007 0.000 1.023 259 H CA 0.562 56.619 56.048 0.013 0.000 1.169 259 H CB 1.043 30.811 29.762 0.010 0.000 1.454 259 H HN 0.524 nan 8.280 nan 0.000 0.556 260 G N 0.489 109.315 108.800 0.043 0.000 2.244 260 G HA2 0.074 4.033 3.960 -0.001 0.000 0.236 260 G HA3 0.074 4.033 3.960 -0.001 0.000 0.236 260 G C 0.874 175.737 174.900 -0.061 0.000 1.632 260 G CA -0.169 44.942 45.100 0.018 0.000 1.231 260 G HN 0.346 nan 8.290 nan 0.000 0.635 261 A N 1.149 123.916 122.820 -0.089 0.000 1.903 261 A HA 0.034 4.353 4.320 -0.001 0.000 0.219 261 A C 2.257 179.702 177.584 -0.231 0.000 1.191 261 A CA 2.713 54.681 52.037 -0.116 0.000 0.638 261 A CB -0.726 18.224 19.000 -0.084 0.000 0.823 261 A HN 2.097 nan 8.150 nan 0.000 0.451 262 T N -1.667 112.630 114.554 -0.428 0.000 4.104 262 T HA 0.358 4.708 4.350 -0.001 0.000 0.285 262 T C 0.235 174.719 174.700 -0.359 0.000 1.346 262 T CA 0.357 61.900 62.100 -0.929 0.000 1.158 262 T CB -0.043 68.349 68.868 -0.794 0.000 1.290 262 T HN 0.118 nan 8.240 nan 0.000 0.975 263 S N 1.628 117.259 115.700 -0.115 0.000 3.009 263 S HA 0.153 4.623 4.470 -0.001 0.000 0.243 263 S C 1.151 175.890 174.600 0.232 0.000 1.012 263 S CA -0.355 57.885 58.200 0.067 0.000 1.113 263 S CB -0.333 62.885 63.200 0.031 0.000 0.827 263 S HN 0.683 nan 8.310 nan 0.000 0.495 264 V N -0.226 119.630 119.914 -0.098 0.000 3.161 264 V HA 0.149 4.269 4.120 -0.001 0.000 0.228 264 V C 0.973 176.460 176.094 -1.012 0.000 1.415 264 V CA 0.059 62.117 62.300 -0.402 0.000 1.285 264 V CB 0.175 32.009 31.823 0.018 0.000 1.100 264 V HN 0.219 nan 8.190 nan 0.000 0.478 265 E N 0.708 120.578 120.200 -0.550 0.000 2.311 265 E HA 0.109 4.459 4.350 -0.001 0.000 0.198 265 E C 1.012 177.354 176.600 -0.430 0.000 1.115 265 E CA 0.100 56.193 56.400 -0.511 0.000 1.140 265 E CB -0.077 29.440 29.700 -0.305 0.000 1.204 265 E HN 0.576 nan 8.360 nan 0.000 0.446 266 H N -0.427 118.264 119.070 -0.633 0.000 2.481 266 H HA 0.011 4.566 4.556 -0.001 0.000 0.291 266 H C 1.358 176.600 175.328 -0.143 0.000 1.009 266 H CA 0.646 56.528 56.048 -0.278 0.000 1.282 266 H CB 0.299 30.020 29.762 -0.068 0.000 1.457 266 H HN 0.160 nan 8.280 nan 0.000 0.525 267 F N 1.471 121.536 119.950 0.192 0.000 2.138 267 F HA 0.155 4.681 4.527 -0.001 0.000 0.283 267 F C 2.818 178.656 175.800 0.063 0.000 1.100 267 F CA 0.447 58.552 58.000 0.175 0.000 1.189 267 F CB -0.890 38.218 39.000 0.179 0.000 1.060 267 F HN -0.051 nan 8.300 nan 0.000 0.492 268 R N 0.640 121.025 120.500 -0.192 0.000 2.185 268 R HA -0.199 4.141 4.340 -0.001 0.000 0.247 268 R C 2.072 178.353 176.300 -0.031 0.000 1.159 268 R CA 1.758 57.772 56.100 -0.144 0.000 0.988 268 R CB -0.750 29.063 30.300 -0.812 0.000 0.871 268 R HN 0.250 nan 8.270 nan 0.000 0.458 269 R N 1.334 121.725 120.500 -0.180 0.000 2.075 269 R HA -0.033 4.306 4.340 -0.001 0.000 0.232 269 R C 1.039 177.450 176.300 0.184 0.000 1.126 269 R CA 1.470 57.545 56.100 -0.041 0.000 0.963 269 R CB -0.047 30.138 30.300 -0.192 0.000 0.858 269 R HN 0.252 nan 8.270 nan 0.000 0.435 270 E N 0.253 120.498 120.200 0.074 0.000 2.321 270 E HA 0.152 4.501 4.350 -0.001 0.000 0.189 270 E C -0.109 176.458 176.600 -0.054 0.000 1.125 270 E CA 0.627 57.056 56.400 0.049 0.000 1.005 270 E CB -0.272 29.446 29.700 0.030 0.000 1.140 270 E HN 0.512 nan 8.360 nan 0.000 0.457 271 G N 1.924 110.632 108.800 -0.153 0.000 2.415 271 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.283 271 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.283 271 G C -0.095 174.697 174.900 -0.181 0.000 1.014 271 G CA -0.107 44.612 45.100 -0.635 0.000 1.323 271 G HN 0.160 nan 8.290 nan 0.000 0.502 272 I N 0.979 121.610 120.570 0.102 0.000 2.740 272 I HA 0.550 4.720 4.170 -0.001 0.000 0.303 272 I C 0.244 176.566 176.117 0.342 0.000 1.044 272 I CA -1.536 59.901 61.300 0.229 0.000 1.064 272 I CB 1.750 39.981 38.000 0.386 0.000 1.249 272 I HN 0.088 nan 8.210 nan 0.000 0.433 273 L N 3.151 124.454 121.223 0.134 0.000 2.312 273 L HA 0.318 4.658 4.340 -0.001 0.000 0.281 273 L C 1.582 178.305 176.870 -0.245 0.000 1.070 273 L CA 0.221 55.050 54.840 -0.019 0.000 0.805 273 L CB 1.347 43.367 42.059 -0.066 0.000 1.174 273 L HN 0.805 nan 8.230 nan 0.000 0.434 274 S N 3.732 119.015 115.700 -0.693 0.000 2.359 274 S HA -0.272 4.197 4.470 -0.001 0.000 0.222 274 S C 1.752 176.082 174.600 -0.450 0.000 1.038 274 S CA 1.573 59.152 58.200 -1.034 0.000 1.051 274 S CB -0.606 61.947 63.200 -1.079 0.000 0.944 274 S HN 0.737 nan 8.310 nan 0.000 0.433 275 R N 2.326 122.644 120.500 -0.303 0.000 2.120 275 R HA 0.139 4.479 4.340 -0.001 0.000 0.234 275 R C 2.455 178.618 176.300 -0.228 0.000 1.123 275 R CA 1.199 57.198 56.100 -0.170 0.000 0.975 275 R CB -1.040 29.228 30.300 -0.054 0.000 0.866 275 R HN 0.489 nan 8.270 nan 0.000 0.446 276 A N 1.874 124.492 122.820 -0.337 0.000 1.933 276 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 276 A C 2.160 179.523 177.584 -0.369 0.000 1.175 276 A CA 1.283 52.931 52.037 -0.648 0.000 0.628 276 A CB -0.376 18.358 19.000 -0.443 0.000 0.814 276 A HN 0.344 nan 8.150 nan 0.000 0.444 277 L N -0.736 120.386 121.223 -0.168 0.000 2.049 277 L HA -0.019 4.320 4.340 -0.001 0.000 0.203 277 L C 2.475 179.346 176.870 0.001 0.000 1.074 277 L CA 1.978 56.809 54.840 -0.015 0.000 0.749 277 L CB -0.576 41.525 42.059 0.070 0.000 0.907 277 L HN 0.417 nan 8.230 nan 0.000 0.439 278 M N -0.200 119.355 119.600 -0.075 0.000 2.082 278 M HA -0.258 4.221 4.480 -0.001 0.000 0.258 278 M C 2.118 178.394 176.300 -0.039 0.000 1.069 278 M CA 2.098 57.357 55.300 -0.069 0.000 1.102 278 M CB -0.908 31.628 32.600 -0.107 0.000 1.336 278 M HN 0.467 nan 8.290 nan 0.000 0.404 279 N N 0.192 118.846 118.700 -0.076 0.000 2.205 279 N HA -0.226 4.513 4.740 -0.001 0.000 0.186 279 N C 1.603 177.055 175.510 -0.095 0.000 1.015 279 N CA 1.544 54.508 53.050 -0.143 0.000 0.862 279 N CB -0.177 38.154 38.487 -0.260 0.000 0.986 279 N HN 0.419 nan 8.380 nan 0.000 0.429 280 Y N 1.268 121.471 120.300 -0.162 0.000 2.337 280 Y HA 0.105 4.655 4.550 -0.001 0.000 0.293 280 Y C 2.228 178.127 175.900 -0.001 0.000 1.123 280 Y CA 0.763 58.811 58.100 -0.086 0.000 1.201 280 Y CB -0.257 38.144 38.460 -0.098 0.000 1.011 280 Y HN 0.003 nan 8.280 nan 0.000 0.545 281 L N -0.512 120.692 121.223 -0.031 0.000 2.131 281 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 281 L C 2.478 179.303 176.870 -0.076 0.000 1.092 281 L CA 1.250 56.041 54.840 -0.082 0.000 0.759 281 L CB -0.779 41.253 42.059 -0.045 0.000 0.903 281 L HN 0.276 nan 8.230 nan 0.000 0.435 282 A N -0.836 121.974 122.820 -0.015 0.000 2.218 282 A HA 0.026 4.345 4.320 -0.001 0.000 0.209 282 A C 2.029 179.867 177.584 0.423 0.000 1.168 282 A CA 0.297 52.379 52.037 0.074 0.000 0.804 282 A CB -0.115 18.845 19.000 -0.066 0.000 0.834 282 A HN 0.288 nan 8.150 nan 0.000 0.482 283 L N -0.431 120.917 121.223 0.207 0.000 2.162 283 L HA 0.298 4.638 4.340 -0.001 0.000 0.205 283 L C 0.598 177.522 176.870 0.089 0.000 1.086 283 L CA 1.097 56.060 54.840 0.206 0.000 0.778 283 L CB -0.237 41.876 42.059 0.089 0.000 0.928 283 L HN 0.291 nan 8.230 nan 0.000 0.446 284 L N -0.363 120.801 121.223 -0.098 0.000 2.349 284 L HA 0.401 4.740 4.340 -0.001 0.000 0.275 284 L C 1.569 178.463 176.870 0.040 0.000 1.115 284 L CA 0.178 54.954 54.840 -0.106 0.000 0.820 284 L CB 0.523 42.411 42.059 -0.286 0.000 1.135 284 L HN 0.429 nan 8.230 nan 0.000 0.445 285 G N 2.217 111.046 108.800 0.050 0.000 4.236 285 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.222 285 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.222 285 G C 0.060 175.052 174.900 0.153 0.000 1.354 285 G CA 0.414 45.563 45.100 0.082 0.000 0.966 285 G HN 0.646 nan 8.290 nan 0.000 0.624 286 W N 3.173 124.492 121.300 0.030 0.000 2.089 286 W HA 0.633 5.293 4.660 -0.001 0.000 0.355 286 W C 0.622 177.192 176.519 0.084 0.000 1.305 286 W CA 0.484 57.878 57.345 0.081 0.000 1.281 286 W CB 0.434 29.977 29.460 0.138 0.000 1.183 286 W HN 0.372 nan 8.180 nan 0.000 0.604 287 R N 2.694 122.872 120.500 -0.537 0.000 2.626 287 R HA 0.616 4.955 4.340 -0.001 0.000 0.274 287 R C -1.777 174.044 176.300 -0.799 0.000 1.031 287 R CA -1.098 54.742 56.100 -0.434 0.000 0.898 287 R CB 1.257 31.405 30.300 -0.253 0.000 1.222 287 R HN 0.377 nan 8.270 nan 0.000 0.455 288 V N 1.306 120.974 119.914 -0.410 0.000 2.925 288 V HA 0.397 4.517 4.120 -0.001 0.000 0.311 288 V C -0.692 175.319 176.094 -0.139 0.000 1.104 288 V CA -0.707 61.376 62.300 -0.362 0.000 0.954 288 V CB 2.397 34.053 31.823 -0.278 0.000 1.022 288 V HN 0.713 nan 8.190 nan 0.000 0.427 289 E N 4.533 124.660 120.200 -0.123 0.000 1.814 289 E HA 0.526 4.875 4.350 -0.001 0.000 0.264 289 E C 0.316 176.907 176.600 -0.015 0.000 1.179 289 E CA 0.590 56.955 56.400 -0.058 0.000 0.972 289 E CB 0.712 30.374 29.700 -0.062 0.000 1.077 289 E HN 0.946 nan 8.360 nan 0.000 0.417 290 G N 2.251 111.070 108.800 0.031 0.000 2.637 290 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.112 290 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.112 290 G C -1.423 173.550 174.900 0.122 0.000 1.181 290 G CA -0.525 44.617 45.100 0.071 0.000 1.150 290 G HN 0.364 nan 8.290 nan 0.000 0.561 291 D N -0.355 120.155 120.400 0.183 0.000 2.269 291 D HA 0.349 4.988 4.640 -0.001 0.000 0.244 291 D C 0.803 177.277 176.300 0.289 0.000 0.992 291 D CA -0.501 53.617 54.000 0.198 0.000 0.894 291 D CB 2.216 43.106 40.800 0.149 0.000 1.248 291 D HN 0.222 nan 8.370 nan 0.000 0.468 292 E N 1.041 121.399 120.200 0.263 0.000 2.130 292 E HA -0.104 4.246 4.350 -0.001 0.000 0.196 292 E C 0.628 177.252 176.600 0.040 0.000 0.998 292 E CA 0.906 57.465 56.400 0.264 0.000 0.806 292 E CB 0.199 30.179 29.700 0.466 0.000 0.738 292 E HN 0.458 nan 8.360 nan 0.000 0.459 293 I N 1.754 122.318 120.570 -0.010 0.000 2.325 293 I HA 0.174 4.344 4.170 -0.001 0.000 0.291 293 I C 0.219 176.303 176.117 -0.056 0.000 1.019 293 I CA -0.159 61.028 61.300 -0.188 0.000 1.302 293 I CB -0.147 37.691 38.000 -0.270 0.000 1.401 293 I HN -0.154 nan 8.210 nan 0.000 0.485 294 F N 2.902 122.858 119.950 0.011 0.000 3.360 294 F HA 0.663 5.189 4.527 -0.001 0.000 0.327 294 F C -0.923 174.900 175.800 0.038 0.000 1.186 294 F CA -1.117 56.892 58.000 0.015 0.000 0.903 294 F CB 0.980 40.028 39.000 0.080 0.000 1.533 294 F HN 0.109 nan 8.300 nan 0.000 0.515 295 T N 2.385 117.310 114.554 0.620 0.000 2.879 295 T HA 0.405 4.755 4.350 -0.001 0.000 0.290 295 T C 0.851 175.777 174.700 0.377 0.000 0.993 295 T CA -0.403 61.923 62.100 0.378 0.000 0.975 295 T CB 1.678 70.644 68.868 0.165 0.000 0.981 295 T HN 0.548 nan 8.240 nan 0.000 0.439 296 I N 1.745 122.495 120.570 0.299 0.000 2.423 296 I HA -0.126 4.044 4.170 -0.001 0.000 0.254 296 I C 2.281 178.438 176.117 0.067 0.000 1.151 296 I CA 1.472 62.862 61.300 0.150 0.000 1.421 296 I CB -0.633 37.412 38.000 0.075 0.000 1.079 296 I HN 0.815 nan 8.210 nan 0.000 0.431 297 E N 1.609 121.864 120.200 0.091 0.000 2.006 297 E HA -0.249 4.101 4.350 -0.001 0.000 0.192 297 E C 1.967 178.580 176.600 0.022 0.000 0.993 297 E CA 1.574 58.010 56.400 0.060 0.000 0.808 297 E CB -0.043 29.695 29.700 0.064 0.000 0.764 297 E HN 0.670 nan 8.360 nan 0.000 0.449 298 E N -0.313 119.909 120.200 0.037 0.000 2.409 298 E HA -0.132 4.218 4.350 -0.001 0.000 0.198 298 E C 1.027 177.622 176.600 -0.009 0.000 1.024 298 E CA 0.613 57.022 56.400 0.016 0.000 0.861 298 E CB 0.096 29.814 29.700 0.031 0.000 0.788 298 E HN -0.032 nan 8.360 nan 0.000 0.521 299 K N 0.638 121.024 120.400 -0.024 0.000 2.570 299 K HA 0.137 4.456 4.320 -0.001 0.000 0.210 299 K C 0.941 177.541 176.600 0.001 0.000 1.048 299 K CA -0.125 56.132 56.287 -0.050 0.000 1.167 299 K CB 0.586 32.961 32.500 -0.209 0.000 0.892 299 K HN 0.181 nan 8.250 nan 0.000 0.480 300 L N 0.622 121.830 121.223 -0.025 0.000 2.145 300 L HA 0.019 4.359 4.340 -0.001 0.000 0.201 300 L C 1.724 178.599 176.870 0.007 0.000 1.075 300 L CA 1.649 56.457 54.840 -0.054 0.000 0.773 300 L CB 0.057 42.032 42.059 -0.139 0.000 0.936 300 L HN 0.044 nan 8.230 nan 0.000 0.451 301 Q N -0.628 119.162 119.800 -0.017 0.000 2.435 301 Q HA 0.019 4.358 4.340 -0.001 0.000 0.207 301 Q C 1.950 177.954 176.000 0.005 0.000 0.956 301 Q CA 1.064 56.853 55.803 -0.023 0.000 0.917 301 Q CB 0.065 28.780 28.738 -0.037 0.000 0.997 301 Q HN 0.721 nan 8.270 nan 0.000 0.497 302 S N -1.205 114.523 115.700 0.047 0.000 2.523 302 S HA 0.089 4.559 4.470 -0.001 0.000 0.217 302 S C 0.384 175.087 174.600 0.171 0.000 0.996 302 S CA -0.641 57.596 58.200 0.061 0.000 0.921 302 S CB -0.213 63.007 63.200 0.034 0.000 0.829 302 S HN 0.215 nan 8.310 nan 0.000 0.495 303 F N 4.379 124.370 119.950 0.068 0.000 2.533 303 F HA 0.339 4.865 4.527 -0.001 0.000 0.378 303 F C -0.739 175.167 175.800 0.176 0.000 1.070 303 F CA -1.022 57.092 58.000 0.190 0.000 1.172 303 F CB 0.075 39.048 39.000 -0.045 0.000 1.085 303 F HN 0.065 nan 8.300 nan 0.000 0.552 304 D N 8.933 129.198 120.400 -0.224 0.000 2.481 304 D HA 0.198 4.837 4.640 -0.001 0.000 0.246 304 D C -2.185 173.881 176.300 -0.391 0.000 1.109 304 D CA -1.263 52.515 54.000 -0.370 0.000 0.845 304 D CB 1.933 42.643 40.800 -0.150 0.000 1.160 304 D HN 0.306 nan 8.370 nan 0.000 0.534 305 P HA -0.039 nan 4.420 nan 0.000 0.250 305 P C 0.469 177.834 177.300 0.108 0.000 1.239 305 P CA 0.856 63.879 63.100 -0.128 0.000 0.756 305 P CB 0.215 31.757 31.700 -0.263 0.000 1.013 306 K N -1.353 119.058 120.400 0.018 0.000 2.414 306 K HA 0.126 4.446 4.320 -0.001 0.000 0.204 306 K C 0.506 177.080 176.600 -0.042 0.000 1.026 306 K CA -0.014 56.281 56.287 0.012 0.000 1.108 306 K CB 0.512 32.999 32.500 -0.022 0.000 0.855 306 K HN 0.076 nan 8.250 nan 0.000 0.517 307 D N 1.413 121.772 120.400 -0.068 0.000 2.355 307 D HA 0.025 4.664 4.640 -0.001 0.000 0.206 307 D C 0.943 177.113 176.300 -0.216 0.000 1.010 307 D CA 0.158 53.931 54.000 -0.378 0.000 0.875 307 D CB 0.350 40.468 40.800 -1.136 0.000 0.966 307 D HN 0.291 nan 8.370 nan 0.000 0.512 308 I N 0.267 120.951 120.570 0.189 0.000 2.752 308 I HA 0.020 4.190 4.170 -0.001 0.000 0.289 308 I C 0.607 176.774 176.117 0.084 0.000 1.197 308 I CA -0.144 61.316 61.300 0.266 0.000 1.432 308 I CB 0.572 38.698 38.000 0.211 0.000 1.359 308 I HN -0.292 nan 8.210 nan 0.000 0.571 309 S N 4.592 120.334 115.700 0.071 0.000 2.549 309 S HA 0.052 4.521 4.470 -0.001 0.000 0.279 309 S C 1.361 175.978 174.600 0.028 0.000 1.321 309 S CA -0.528 57.691 58.200 0.030 0.000 1.054 309 S CB 0.326 63.543 63.200 0.027 0.000 0.899 309 S HN 0.912 nan 8.310 nan 0.000 0.497 310 N N 4.044 122.756 118.700 0.021 0.000 2.575 310 N HA -0.032 4.708 4.740 -0.001 0.000 0.192 310 N C -0.245 175.277 175.510 0.020 0.000 1.200 310 N CA 0.329 53.393 53.050 0.024 0.000 0.897 310 N CB -0.046 38.455 38.487 0.022 0.000 0.990 310 N HN 0.489 nan 8.380 nan 0.000 0.449 311 K N -0.426 119.984 120.400 0.017 0.000 2.238 311 K HA 0.566 4.886 4.320 -0.001 0.000 0.239 311 K C 0.400 177.009 176.600 0.015 0.000 0.987 311 K CA -0.955 55.340 56.287 0.014 0.000 0.857 311 K CB 1.598 34.104 32.500 0.009 0.000 1.154 311 K HN 0.019 nan 8.250 nan 0.000 0.439 312 G N -0.074 108.734 108.800 0.014 0.000 2.580 312 G HA2 0.490 4.449 3.960 -0.001 0.000 0.278 312 G HA3 0.490 4.449 3.960 -0.001 0.000 0.278 312 G C -0.689 174.218 174.900 0.012 0.000 1.212 312 G CA -0.516 44.592 45.100 0.015 0.000 0.939 312 G HN 0.404 nan 8.290 nan 0.000 0.513 313 V N -1.984 117.938 119.914 0.014 0.000 2.888 313 V HA 0.661 4.781 4.120 -0.001 0.000 0.309 313 V C -0.420 175.684 176.094 0.018 0.000 1.114 313 V CA -1.170 61.134 62.300 0.007 0.000 0.940 313 V CB 1.613 33.432 31.823 -0.007 0.000 1.021 313 V HN 0.645 nan 8.190 nan 0.000 0.426 314 I N 3.995 124.571 120.570 0.010 0.000 2.385 314 I HA 0.387 4.556 4.170 -0.001 0.000 0.294 314 I C 0.006 176.145 176.117 0.036 0.000 0.988 314 I CA -0.368 60.943 61.300 0.020 0.000 1.265 314 I CB 1.482 39.481 38.000 -0.000 0.000 1.388 314 I HN 0.731 nan 8.210 nan 0.000 0.480 315 F N 5.479 125.362 119.950 -0.111 0.000 2.490 315 F HA 0.133 4.660 4.527 -0.001 0.000 0.336 315 F C 0.237 175.920 175.800 -0.195 0.000 1.178 315 F CA 0.337 58.257 58.000 -0.134 0.000 1.301 315 F CB 0.505 39.353 39.000 -0.254 0.000 1.175 315 F HN 0.393 nan 8.300 nan 0.000 0.593 316 D N 3.459 123.336 120.400 -0.873 0.000 2.479 316 D HA 0.127 4.767 4.640 -0.001 0.000 0.246 316 D C -0.078 175.775 176.300 -0.745 0.000 1.336 316 D CA -0.323 53.335 54.000 -0.570 0.000 0.967 316 D CB 0.333 40.999 40.800 -0.223 0.000 1.275 316 D HN 0.396 nan 8.370 nan 0.000 0.577 317 Y N 1.729 121.919 120.300 -0.184 0.000 2.333 317 Y HA -0.110 4.439 4.550 -0.001 0.000 0.290 317 Y C 2.295 178.143 175.900 -0.088 0.000 1.144 317 Y CA 0.868 58.944 58.100 -0.040 0.000 1.228 317 Y CB -0.140 38.421 38.460 0.169 0.000 0.985 317 Y HN 0.405 nan 8.280 nan 0.000 0.542 318 Q N 0.761 120.588 119.800 0.045 0.000 2.163 318 Q HA -0.087 4.252 4.340 -0.001 0.000 0.198 318 Q C 2.093 178.074 176.000 -0.033 0.000 0.954 318 Q CA 1.298 57.115 55.803 0.024 0.000 0.851 318 Q CB -0.004 28.756 28.738 0.035 0.000 0.928 318 Q HN 0.152 nan 8.270 nan 0.000 0.459 319 K N -0.193 120.141 120.400 -0.110 0.000 2.155 319 K HA -0.058 4.262 4.320 -0.001 0.000 0.203 319 K C 1.693 178.156 176.600 -0.229 0.000 1.052 319 K CA 0.861 57.107 56.287 -0.068 0.000 0.948 319 K CB -0.539 31.957 32.500 -0.007 0.000 0.728 319 K HN 0.308 nan 8.250 nan 0.000 0.448 320 L N 1.346 122.192 121.223 -0.628 0.000 2.201 320 L HA -0.042 4.297 4.340 -0.001 0.000 0.212 320 L C 2.056 178.731 176.870 -0.325 0.000 1.105 320 L CA 1.804 56.122 54.840 -0.869 0.000 0.775 320 L CB -0.512 41.026 42.059 -0.868 0.000 0.913 320 L HN 0.428 nan 8.230 nan 0.000 0.440 321 E N -1.403 118.716 120.200 -0.136 0.000 2.072 321 E HA -0.287 4.063 4.350 -0.001 0.000 0.191 321 E C 1.984 178.594 176.600 0.017 0.000 0.985 321 E CA 1.350 57.734 56.400 -0.026 0.000 0.801 321 E CB -0.473 29.245 29.700 0.030 0.000 0.750 321 E HN 0.627 nan 8.360 nan 0.000 0.452 322 W N 1.263 122.494 121.300 -0.115 0.000 2.333 322 W HA -0.259 4.401 4.660 -0.001 0.000 0.316 322 W C 1.961 178.445 176.519 -0.059 0.000 1.215 322 W CA 1.982 59.284 57.345 -0.072 0.000 1.278 322 W CB -0.802 28.623 29.460 -0.059 0.000 1.154 322 W HN -0.073 nan 8.180 nan 0.000 0.486 323 V N 1.468 121.248 119.914 -0.222 0.000 2.215 323 V HA -0.439 3.681 4.120 -0.001 0.000 0.249 323 V C 2.233 178.126 176.094 -0.335 0.000 1.054 323 V CA 2.655 64.704 62.300 -0.418 0.000 1.012 323 V CB -1.656 30.007 31.823 -0.266 0.000 0.639 323 V HN 0.390 nan 8.190 nan 0.000 0.448 324 N N 0.806 119.333 118.700 -0.288 0.000 2.205 324 N HA -0.128 4.612 4.740 -0.001 0.000 0.186 324 N C 1.748 177.175 175.510 -0.137 0.000 1.015 324 N CA 1.564 54.484 53.050 -0.217 0.000 0.862 324 N CB -0.576 37.825 38.487 -0.144 0.000 0.986 324 N HN 0.458 nan 8.380 nan 0.000 0.429 325 G N 0.008 108.720 108.800 -0.147 0.000 2.448 325 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 325 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 325 G C 1.585 176.395 174.900 -0.150 0.000 1.127 325 G CA 0.681 45.711 45.100 -0.116 0.000 0.766 325 G HN 0.233 nan 8.290 nan 0.000 0.552 326 K N 0.056 120.315 120.400 -0.235 0.000 2.063 326 K HA 0.077 4.396 4.320 -0.001 0.000 0.204 326 K C 2.122 178.641 176.600 -0.135 0.000 1.039 326 K CA 0.752 56.897 56.287 -0.237 0.000 0.957 326 K CB -0.930 31.309 32.500 -0.435 0.000 0.764 326 K HN 0.281 nan 8.250 nan 0.000 0.447 327 H N 1.335 120.256 119.070 -0.248 0.000 2.400 327 H HA -0.121 4.435 4.556 -0.001 0.000 0.295 327 H C 2.114 177.360 175.328 -0.136 0.000 1.118 327 H CA 2.133 58.074 56.048 -0.179 0.000 1.256 327 H CB -0.359 29.301 29.762 -0.170 0.000 1.365 327 H HN 0.118 nan 8.280 nan 0.000 0.502 328 M N 0.121 119.716 119.600 -0.009 0.000 2.139 328 M HA -0.143 4.336 4.480 -0.001 0.000 0.260 328 M C 1.558 177.811 176.300 -0.078 0.000 1.078 328 M CA 1.787 57.057 55.300 -0.049 0.000 1.106 328 M CB -0.209 32.349 32.600 -0.071 0.000 1.275 328 M HN 0.226 nan 8.290 nan 0.000 0.425 329 R N 1.093 121.538 120.500 -0.093 0.000 4.054 329 R HA 0.059 4.399 4.340 -0.001 0.000 0.227 329 R C 1.078 177.320 176.300 -0.098 0.000 1.902 329 R CA 0.336 56.377 56.100 -0.098 0.000 1.590 329 R CB -0.379 29.864 30.300 -0.095 0.000 1.245 329 R HN 0.462 nan 8.270 nan 0.000 0.647 330 R N 0.743 121.181 120.500 -0.104 0.000 2.637 330 R HA 0.172 4.511 4.340 -0.001 0.000 0.262 330 R C 0.476 176.713 176.300 -0.105 0.000 0.959 330 R CA -0.208 55.822 56.100 -0.118 0.000 1.061 330 R CB 0.471 30.666 30.300 -0.175 0.000 1.610 330 R HN 0.387 nan 8.270 nan 0.000 0.548 331 I N -0.882 119.635 120.570 -0.089 0.000 3.078 331 I HA 0.422 4.591 4.170 -0.001 0.000 0.318 331 I C 0.087 176.169 176.117 -0.058 0.000 1.016 331 I CA -0.825 60.434 61.300 -0.069 0.000 1.130 331 I CB 0.479 38.449 38.000 -0.049 0.000 1.397 331 I HN -0.142 nan 8.210 nan 0.000 0.570 332 D N 0.685 121.058 120.400 -0.045 0.000 2.370 332 D HA 0.040 4.680 4.640 -0.001 0.000 0.235 332 D C 0.873 177.145 176.300 -0.047 0.000 1.228 332 D CA 0.207 54.184 54.000 -0.039 0.000 0.884 332 D CB 0.772 41.557 40.800 -0.026 0.000 1.201 332 D HN 0.562 nan 8.370 nan 0.000 0.456 333 L N 1.137 122.331 121.223 -0.048 0.000 1.973 333 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 333 L C 2.136 178.974 176.870 -0.053 0.000 1.073 333 L CA 0.818 55.620 54.840 -0.064 0.000 0.746 333 L CB -0.560 41.462 42.059 -0.060 0.000 0.891 333 L HN 0.483 nan 8.230 nan 0.000 0.433 334 E N 0.053 120.236 120.200 -0.028 0.000 2.401 334 E HA -0.210 4.139 4.350 -0.001 0.000 0.199 334 E C 1.513 178.119 176.600 0.010 0.000 1.023 334 E CA 0.659 57.057 56.400 -0.003 0.000 0.859 334 E CB -0.358 29.348 29.700 0.011 0.000 0.780 334 E HN 0.458 nan 8.360 nan 0.000 0.523 335 D N 0.538 120.937 120.400 -0.002 0.000 2.091 335 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 335 D C 1.948 178.260 176.300 0.020 0.000 0.980 335 D CA 0.477 54.481 54.000 0.007 0.000 0.831 335 D CB 0.157 40.953 40.800 -0.007 0.000 0.987 335 D HN 0.154 nan 8.370 nan 0.000 0.460 336 L N 1.578 122.801 121.223 -0.000 0.000 2.141 336 L HA -0.067 4.273 4.340 -0.001 0.000 0.209 336 L C 2.367 179.274 176.870 0.062 0.000 1.094 336 L CA 1.548 56.396 54.840 0.014 0.000 0.763 336 L CB -0.669 41.365 42.059 -0.042 0.000 0.908 336 L HN -0.061 nan 8.230 nan 0.000 0.437 337 K N -0.399 120.018 120.400 0.029 0.000 2.074 337 K HA -0.241 4.078 4.320 -0.001 0.000 0.209 337 K C 2.197 178.929 176.600 0.219 0.000 1.048 337 K CA 1.808 58.149 56.287 0.089 0.000 0.926 337 K CB -0.100 32.429 32.500 0.048 0.000 0.713 337 K HN 0.337 nan 8.250 nan 0.000 0.444 338 R N 0.360 120.952 120.500 0.152 0.000 2.073 338 R HA -0.099 4.241 4.340 -0.001 0.000 0.234 338 R C 2.364 178.770 176.300 0.175 0.000 1.134 338 R CA 1.484 57.673 56.100 0.148 0.000 0.952 338 R CB -0.253 30.102 30.300 0.092 0.000 0.850 338 R HN 0.275 nan 8.270 nan 0.000 0.433 339 E N 0.496 120.798 120.200 0.170 0.000 2.058 339 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 339 E C 1.802 178.591 176.600 0.315 0.000 0.997 339 E CA 1.099 57.620 56.400 0.201 0.000 0.801 339 E CB -0.340 29.450 29.700 0.151 0.000 0.746 339 E HN 0.233 nan 8.360 nan 0.000 0.450 340 F N 1.365 121.421 119.950 0.177 0.000 2.161 340 F HA -0.140 4.387 4.527 -0.001 0.000 0.300 340 F C 2.187 178.182 175.800 0.325 0.000 1.089 340 F CA 0.983 59.140 58.000 0.262 0.000 1.282 340 F CB -0.156 38.964 39.000 0.201 0.000 1.010 340 F HN -0.079 nan 8.300 nan 0.000 0.485 341 I N -0.294 120.447 120.570 0.285 0.000 2.353 341 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 341 I C 2.156 178.318 176.117 0.075 0.000 1.119 341 I CA 1.218 62.602 61.300 0.139 0.000 1.417 341 I CB -0.564 37.537 38.000 0.168 0.000 1.078 341 I HN 0.129 nan 8.210 nan 0.000 0.421 342 E N 0.137 120.420 120.200 0.138 0.000 2.077 342 E HA -0.280 4.070 4.350 -0.001 0.000 0.193 342 E C 1.909 178.622 176.600 0.189 0.000 0.989 342 E CA 1.686 58.159 56.400 0.123 0.000 0.800 342 E CB -0.223 29.570 29.700 0.154 0.000 0.746 342 E HN 0.579 nan 8.360 nan 0.000 0.452 343 W N 1.492 122.840 121.300 0.080 0.000 2.409 343 W HA -0.027 4.633 4.660 -0.000 0.000 0.299 343 W C 2.347 178.820 176.519 -0.077 0.000 1.203 343 W CA 1.544 58.947 57.345 0.096 0.000 1.298 343 W CB -0.370 29.125 29.460 0.059 0.000 1.127 343 W HN 0.027 nan 8.180 nan 0.000 0.528 344 A N 1.284 123.929 122.820 -0.292 0.000 1.894 344 A HA -0.364 3.956 4.320 -0.001 0.000 0.220 344 A C 1.952 179.187 177.584 -0.582 0.000 1.237 344 A CA 2.948 54.612 52.037 -0.622 0.000 0.660 344 A CB -1.015 17.741 19.000 -0.406 0.000 0.835 344 A HN 0.438 nan 8.150 nan 0.000 0.461 345 K N -2.200 118.011 120.400 -0.316 0.000 2.167 345 K HA -0.007 4.313 4.320 -0.001 0.000 0.203 345 K C 1.996 178.486 176.600 -0.184 0.000 1.052 345 K CA 1.038 57.186 56.287 -0.231 0.000 0.956 345 K CB -0.268 32.150 32.500 -0.138 0.000 0.735 345 K HN 0.703 nan 8.250 nan 0.000 0.451 346 Y N 0.677 120.774 120.300 -0.339 0.000 2.256 346 Y HA -0.251 4.299 4.550 -0.001 0.000 0.288 346 Y C 1.904 177.551 175.900 -0.423 0.000 1.155 346 Y CA 0.716 58.644 58.100 -0.287 0.000 1.203 346 Y CB 0.229 38.596 38.460 -0.155 0.000 0.980 346 Y HN 0.081 nan 8.280 nan 0.000 0.530 347 A N -0.962 121.477 122.820 -0.635 0.000 2.348 347 A HA 0.365 4.685 4.320 -0.001 0.000 0.224 347 A C 1.721 178.982 177.584 -0.538 0.000 1.227 347 A CA 0.889 52.486 52.037 -0.733 0.000 0.885 347 A CB -0.549 17.651 19.000 -1.333 0.000 0.933 347 A HN 0.649 nan 8.150 nan 0.000 0.506 348 G N 1.206 109.739 108.800 -0.446 0.000 4.039 348 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.220 348 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.220 348 G C 0.574 175.259 174.900 -0.359 0.000 1.391 348 G CA 0.527 45.438 45.100 -0.315 0.000 0.920 348 G HN 1.130 nan 8.290 nan 0.000 0.599 349 K N 1.807 121.958 120.400 -0.416 0.000 2.489 349 K HA 0.425 4.745 4.320 -0.001 0.000 0.278 349 K C 0.075 176.283 176.600 -0.654 0.000 1.000 349 K CA 1.043 57.094 56.287 -0.393 0.000 1.012 349 K CB 0.702 33.025 32.500 -0.295 0.000 0.903 349 K HN 1.027 nan 8.250 nan 0.000 0.485 350 E N 1.456 121.411 120.200 -0.408 0.000 2.381 350 E HA 0.296 4.645 4.350 -0.001 0.000 0.281 350 E C -1.523 175.153 176.600 0.125 0.000 1.151 350 E CA -0.836 55.353 56.400 -0.351 0.000 0.904 350 E CB 0.488 29.988 29.700 -0.334 0.000 1.234 350 E HN 0.377 nan 8.360 nan 0.000 0.427 351 I N 1.720 122.497 120.570 0.345 0.000 2.378 351 I HA 0.404 4.574 4.170 -0.001 0.000 0.291 351 I C -2.117 174.069 176.117 0.114 0.000 0.992 351 I CA -2.426 59.037 61.300 0.272 0.000 1.154 351 I CB 0.825 39.022 38.000 0.329 0.000 1.315 351 I HN 0.526 nan 8.210 nan 0.000 0.448 352 P HA -0.044 nan 4.420 nan 0.000 0.261 352 P C -0.314 176.943 177.300 -0.072 0.000 1.165 352 P CA 0.610 63.698 63.100 -0.021 0.000 0.759 352 P CB 0.535 32.230 31.700 -0.009 0.000 0.772 353 S N 1.891 117.491 115.700 -0.167 0.000 2.513 353 S HA 0.566 5.036 4.470 -0.001 0.000 0.299 353 S C 0.381 174.870 174.600 -0.185 0.000 1.087 353 S CA -0.512 57.503 58.200 -0.308 0.000 1.012 353 S CB 0.946 63.659 63.200 -0.812 0.000 1.044 353 S HN 0.269 nan 8.310 nan 0.000 0.485 354 V N -0.017 119.829 119.914 -0.114 0.000 3.309 354 V HA 0.485 4.604 4.120 -0.001 0.000 0.268 354 V C -0.240 175.866 176.094 0.019 0.000 1.631 354 V CA -0.206 62.071 62.300 -0.037 0.000 1.018 354 V CB -0.057 31.758 31.823 -0.013 0.000 0.841 354 V HN 0.643 nan 8.190 nan 0.000 0.418 355 D N 1.737 122.178 120.400 0.067 0.000 2.225 355 D HA 0.468 5.108 4.640 -0.001 0.000 0.249 355 D C 0.218 176.653 176.300 0.224 0.000 1.052 355 D CA -0.184 53.911 54.000 0.160 0.000 0.909 355 D CB 2.127 43.085 40.800 0.263 0.000 1.186 355 D HN 0.218 nan 8.370 nan 0.000 0.431 356 E N 0.671 120.988 120.200 0.195 0.000 2.562 356 E HA 0.023 4.373 4.350 -0.001 0.000 0.214 356 E C 1.216 177.909 176.600 0.156 0.000 0.979 356 E CA 0.065 56.585 56.400 0.200 0.000 1.002 356 E CB 1.072 30.852 29.700 0.133 0.000 1.048 356 E HN 0.194 nan 8.360 nan 0.000 0.488 357 R N -0.603 119.995 120.500 0.163 0.000 2.167 357 R HA 0.078 4.417 4.340 -0.001 0.000 0.195 357 R C 1.847 178.247 176.300 0.166 0.000 1.027 357 R CA 0.529 56.707 56.100 0.129 0.000 1.114 357 R CB -0.497 29.871 30.300 0.113 0.000 1.075 357 R HN 0.049 nan 8.270 nan 0.000 0.538 358 Y N -0.160 120.197 120.300 0.095 0.000 2.206 358 Y HA 0.000 4.550 4.550 -0.001 0.000 0.292 358 Y C 1.547 177.535 175.900 0.146 0.000 1.123 358 Y CA 1.325 59.487 58.100 0.104 0.000 1.142 358 Y CB -0.488 38.035 38.460 0.104 0.000 1.006 358 Y HN 0.118 nan 8.280 nan 0.000 0.518 359 F N -0.159 119.777 119.950 -0.023 0.000 2.451 359 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 359 F C 2.387 178.114 175.800 -0.121 0.000 1.101 359 F CA 1.355 59.292 58.000 -0.105 0.000 1.436 359 F CB -0.547 38.472 39.000 0.032 0.000 1.074 359 F HN 0.131 nan 8.300 nan 0.000 0.553 360 S N -0.610 114.989 115.700 -0.169 0.000 2.404 360 S HA -0.046 4.424 4.470 -0.001 0.000 0.223 360 S C 1.988 176.443 174.600 -0.243 0.000 1.040 360 S CA 0.649 58.705 58.200 -0.240 0.000 0.957 360 S CB -0.234 62.920 63.200 -0.076 0.000 0.826 360 S HN 0.355 nan 8.310 nan 0.000 0.491 361 E N 1.422 121.524 120.200 -0.164 0.000 2.028 361 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 361 E C 2.457 178.930 176.600 -0.212 0.000 0.988 361 E CA 1.791 58.111 56.400 -0.133 0.000 0.799 361 E CB -1.355 28.327 29.700 -0.030 0.000 0.755 361 E HN 0.816 nan 8.360 nan 0.000 0.447 362 T N 0.486 114.857 114.554 -0.305 0.000 2.685 362 T HA -0.186 4.163 4.350 -0.001 0.000 0.268 362 T C 2.210 176.589 174.700 -0.535 0.000 1.034 362 T CA 1.388 63.254 62.100 -0.390 0.000 1.149 362 T CB -0.607 67.973 68.868 -0.481 0.000 0.860 362 T HN 0.061 nan 8.240 nan 0.000 0.449 363 L N 0.290 121.192 121.223 -0.534 0.000 2.109 363 L HA 0.133 4.473 4.340 -0.001 0.000 0.207 363 L C 3.162 179.800 176.870 -0.386 0.000 1.086 363 L CA 1.155 55.668 54.840 -0.545 0.000 0.760 363 L CB -0.462 41.204 42.059 -0.655 0.000 0.910 363 L HN 0.206 nan 8.230 nan 0.000 0.437 364 R N 0.425 120.744 120.500 -0.302 0.000 2.328 364 R HA -0.068 4.271 4.340 -0.001 0.000 0.207 364 R C 1.777 177.973 176.300 -0.174 0.000 1.056 364 R CA 0.831 56.807 56.100 -0.206 0.000 1.016 364 R CB 0.045 30.253 30.300 -0.153 0.000 0.872 364 R HN 0.411 nan 8.270 nan 0.000 0.471 365 I N -1.656 118.790 120.570 -0.206 0.000 3.616 365 I HA -0.101 4.069 4.170 -0.001 0.000 0.296 365 I C 1.728 177.728 176.117 -0.194 0.000 1.226 365 I CA -0.017 61.190 61.300 -0.155 0.000 1.394 365 I CB 0.277 38.219 38.000 -0.097 0.000 1.171 365 I HN 0.172 nan 8.210 nan 0.000 0.442 366 C N 1.300 120.416 119.300 -0.306 0.000 2.522 366 C HA -0.032 4.428 4.460 -0.001 0.000 0.280 366 C C 2.839 177.685 174.990 -0.240 0.000 1.303 366 C CA 0.433 59.264 59.018 -0.312 0.000 1.709 366 C CB -0.971 26.482 27.740 -0.478 0.000 2.071 366 C HN 0.513 nan 8.230 nan 0.000 0.492 367 R N 1.785 122.130 120.500 -0.259 0.000 2.170 367 R HA -0.148 4.191 4.340 -0.001 0.000 0.242 367 R C 1.350 177.561 176.300 -0.148 0.000 1.145 367 R CA 1.802 57.777 56.100 -0.207 0.000 0.984 367 R CB -0.589 29.582 30.300 -0.214 0.000 0.869 367 R HN 0.447 nan 8.270 nan 0.000 0.455 368 E N 0.995 121.112 120.200 -0.137 0.000 2.347 368 E HA -0.053 4.296 4.350 -0.001 0.000 0.196 368 E C 0.214 176.765 176.600 -0.081 0.000 1.008 368 E CA 0.806 57.146 56.400 -0.099 0.000 0.852 368 E CB 0.213 29.860 29.700 -0.088 0.000 0.783 368 E HN 0.337 nan 8.360 nan 0.000 0.505 369 K N 0.579 120.923 120.400 -0.093 0.000 3.202 369 K HA 0.240 4.559 4.320 -0.001 0.000 0.206 369 K C 0.140 176.698 176.600 -0.071 0.000 1.142 369 K CA -0.264 55.981 56.287 -0.071 0.000 0.979 369 K CB 0.993 33.450 32.500 -0.070 0.000 0.863 369 K HN -0.033 nan 8.250 nan 0.000 0.479 370 V N -3.227 116.643 119.914 -0.074 0.000 3.202 370 V HA 0.570 4.689 4.120 -0.001 0.000 0.306 370 V C -0.130 175.931 176.094 -0.056 0.000 1.283 370 V CA -0.930 61.329 62.300 -0.068 0.000 1.065 370 V CB 2.331 34.096 31.823 -0.096 0.000 1.079 370 V HN 0.043 nan 8.190 nan 0.000 0.448 371 N N -0.121 118.549 118.700 -0.049 0.000 2.166 371 N HA 0.177 4.917 4.740 -0.001 0.000 0.222 371 N C 0.145 175.621 175.510 -0.056 0.000 1.282 371 N CA 0.974 53.998 53.050 -0.042 0.000 0.890 371 N CB 1.416 39.899 38.487 -0.008 0.000 1.114 371 N HN 1.054 nan 8.380 nan 0.000 0.494 372 T N -2.142 112.370 114.554 -0.070 0.000 2.933 372 T HA 0.462 4.812 4.350 -0.001 0.000 0.305 372 T C 1.188 175.789 174.700 -0.165 0.000 1.092 372 T CA -0.649 61.390 62.100 -0.101 0.000 1.008 372 T CB 1.553 70.377 68.868 -0.074 0.000 1.102 372 T HN -0.158 nan 8.240 nan 0.000 0.469 373 L N 1.525 122.585 121.223 -0.272 0.000 2.079 373 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 373 L C 3.015 179.566 176.870 -0.533 0.000 1.081 373 L CA 1.648 56.258 54.840 -0.382 0.000 0.752 373 L CB -0.699 40.978 42.059 -0.637 0.000 0.896 373 L HN 0.889 nan 8.230 nan 0.000 0.433 374 S N -0.305 115.029 115.700 -0.610 0.000 2.353 374 S HA -0.265 4.205 4.470 -0.001 0.000 0.222 374 S C 1.980 176.590 174.600 0.016 0.000 1.035 374 S CA 1.645 59.679 58.200 -0.277 0.000 1.025 374 S CB -0.121 63.049 63.200 -0.050 0.000 0.902 374 S HN 0.466 nan 8.310 nan 0.000 0.440 375 Q N 0.013 119.799 119.800 -0.023 0.000 2.135 375 Q HA -0.133 4.207 4.340 -0.001 0.000 0.204 375 Q C 2.189 178.201 176.000 0.020 0.000 0.981 375 Q CA 1.441 57.250 55.803 0.009 0.000 0.856 375 Q CB -0.356 28.370 28.738 -0.020 0.000 0.902 375 Q HN 0.492 nan 8.270 nan 0.000 0.425 376 L N -0.023 121.199 121.223 -0.000 0.000 1.955 376 L HA -0.253 4.087 4.340 -0.001 0.000 0.213 376 L C 2.208 179.152 176.870 0.122 0.000 1.072 376 L CA 1.963 56.790 54.840 -0.022 0.000 0.755 376 L CB -0.985 41.023 42.059 -0.085 0.000 0.888 376 L HN 0.222 nan 8.230 nan 0.000 0.432 377 Y N 0.610 121.082 120.300 0.288 0.000 2.348 377 Y HA -0.293 4.257 4.550 -0.001 0.000 0.285 377 Y C 2.134 178.217 175.900 0.306 0.000 1.173 377 Y CA 2.038 60.440 58.100 0.502 0.000 1.263 377 Y CB -0.537 38.321 38.460 0.662 0.000 0.974 377 Y HN 0.453 nan 8.280 nan 0.000 0.547 378 D N -0.406 120.056 120.400 0.103 0.000 2.162 378 D HA -0.123 4.517 4.640 -0.001 0.000 0.203 378 D C 1.924 178.223 176.300 -0.003 0.000 0.967 378 D CA 1.229 55.217 54.000 -0.020 0.000 0.840 378 D CB -0.162 40.651 40.800 0.021 0.000 0.972 378 D HN 0.450 nan 8.370 nan 0.000 0.482 379 I N 0.632 121.196 120.570 -0.011 0.000 3.428 379 I HA -0.046 4.124 4.170 -0.001 0.000 0.286 379 I C 1.497 177.576 176.117 -0.063 0.000 1.287 379 I CA 0.554 61.840 61.300 -0.023 0.000 1.396 379 I CB 0.023 37.969 38.000 -0.091 0.000 1.062 379 I HN -0.183 nan 8.210 nan 0.000 0.471 380 M N -1.506 118.050 119.600 -0.073 0.000 2.509 380 M HA 0.026 4.506 4.480 -0.001 0.000 0.250 380 M C 1.775 178.170 176.300 0.158 0.000 1.132 380 M CA 0.592 55.832 55.300 -0.100 0.000 1.080 380 M CB -1.100 31.461 32.600 -0.064 0.000 1.408 380 M HN 0.235 nan 8.290 nan 0.000 0.484 381 Y N 3.286 123.570 120.300 -0.026 0.000 2.097 381 Y HA -0.115 4.435 4.550 -0.001 0.000 0.282 381 Y C -0.583 175.395 175.900 0.129 0.000 1.152 381 Y CA 2.003 60.086 58.100 -0.027 0.000 1.136 381 Y CB -1.509 36.875 38.460 -0.128 0.000 0.975 381 Y HN 0.158 nan 8.280 nan 0.000 0.498 382 P HA -0.118 nan 4.420 nan 0.000 0.239 382 P C 0.691 177.999 177.300 0.012 0.000 1.184 382 P CA 1.399 64.558 63.100 0.098 0.000 0.760 382 P CB -0.314 31.333 31.700 -0.088 0.000 0.884 383 F N -0.793 119.147 119.950 -0.016 0.000 2.453 383 F HA 0.295 4.821 4.527 -0.001 0.000 0.284 383 F C 2.464 178.344 175.800 0.133 0.000 1.065 383 F CA 0.896 58.920 58.000 0.040 0.000 1.411 383 F CB -0.642 38.319 39.000 -0.065 0.000 1.131 383 F HN -0.258 nan 8.300 nan 0.000 0.582 384 M N -0.483 119.273 119.600 0.260 0.000 2.428 384 M HA 0.159 4.638 4.480 -0.001 0.000 0.239 384 M C -0.728 175.578 176.300 0.009 0.000 1.121 384 M CA 0.389 55.803 55.300 0.190 0.000 1.019 384 M CB 0.095 32.816 32.600 0.201 0.000 1.485 384 M HN -0.106 nan 8.290 nan 0.000 0.484 385 N N 0.186 118.825 118.700 -0.102 0.000 2.287 385 N HA 0.183 4.923 4.740 -0.001 0.000 0.289 385 N C -1.080 174.364 175.510 -0.109 0.000 1.066 385 N CA -0.376 52.531 53.050 -0.239 0.000 0.841 385 N CB 1.688 39.726 38.487 -0.749 0.000 1.599 385 N HN -0.013 nan 8.380 nan 0.000 0.476 386 D N 0.063 120.410 120.400 -0.089 0.000 2.342 386 D HA 0.006 4.646 4.640 -0.001 0.000 0.221 386 D C -0.072 176.105 176.300 -0.206 0.000 1.101 386 D CA 0.354 54.313 54.000 -0.068 0.000 0.837 386 D CB 0.251 41.017 40.800 -0.056 0.000 0.938 386 D HN 0.604 nan 8.370 nan 0.000 0.508 387 D N -0.527 119.764 120.400 -0.183 0.000 2.643 387 D HA -0.029 4.611 4.640 -0.001 0.000 0.244 387 D C 0.325 176.552 176.300 -0.122 0.000 1.257 387 D CA -0.762 53.129 54.000 -0.182 0.000 0.831 387 D CB -0.803 39.972 40.800 -0.042 0.000 1.043 387 D HN 0.103 nan 8.370 nan 0.000 0.488 388 Y N 0.046 120.320 120.300 -0.043 0.000 2.712 388 Y HA 0.244 4.793 4.550 -0.001 0.000 0.333 388 Y C 0.114 175.943 175.900 -0.119 0.000 1.225 388 Y CA -1.021 57.066 58.100 -0.022 0.000 1.499 388 Y CB 0.357 38.728 38.460 -0.148 0.000 1.288 388 Y HN -0.053 nan 8.280 nan 0.000 0.575 389 E N 3.355 123.641 120.200 0.143 0.000 2.146 389 E HA 0.160 4.509 4.350 -0.001 0.000 0.282 389 E C -1.291 175.392 176.600 0.138 0.000 0.989 389 E CA -0.832 55.639 56.400 0.118 0.000 0.799 389 E CB 0.498 30.272 29.700 0.123 0.000 1.088 389 E HN 0.598 nan 8.360 nan 0.000 0.397 390 Y N 1.937 122.278 120.300 0.068 0.000 2.632 390 Y HA -0.040 4.510 4.550 -0.001 0.000 0.329 390 Y C 0.947 176.962 175.900 0.192 0.000 1.174 390 Y CA 0.092 58.281 58.100 0.148 0.000 1.469 390 Y CB 0.001 38.545 38.460 0.141 0.000 1.242 390 Y HN 0.384 nan 8.280 nan 0.000 0.540 391 E N 2.302 122.680 120.200 0.297 0.000 2.392 391 E HA -0.058 4.291 4.350 -0.001 0.000 0.264 391 E C 0.927 177.702 176.600 0.293 0.000 1.024 391 E CA -0.327 56.217 56.400 0.239 0.000 0.903 391 E CB 0.811 30.612 29.700 0.168 0.000 0.963 391 E HN 0.474 nan 8.360 nan 0.000 0.432 392 K N 2.846 123.375 120.400 0.215 0.000 2.044 392 K HA -0.222 4.098 4.320 -0.001 0.000 0.210 392 K C 1.057 177.773 176.600 0.194 0.000 1.049 392 K CA 1.898 58.298 56.287 0.188 0.000 0.927 392 K CB -0.123 32.456 32.500 0.132 0.000 0.713 392 K HN 0.487 nan 8.250 nan 0.000 0.443 393 D N -0.714 119.802 120.400 0.194 0.000 2.127 393 D HA -0.239 4.401 4.640 -0.001 0.000 0.190 393 D C 1.873 178.349 176.300 0.293 0.000 1.000 393 D CA 1.677 55.802 54.000 0.207 0.000 0.839 393 D CB -0.622 40.296 40.800 0.197 0.000 0.955 393 D HN 0.259 nan 8.370 nan 0.000 0.446 394 Y N 2.381 122.808 120.300 0.211 0.000 2.053 394 Y HA -0.294 4.256 4.550 -0.001 0.000 0.277 394 Y C 2.460 178.535 175.900 0.292 0.000 1.159 394 Y CA 1.214 59.474 58.100 0.266 0.000 1.125 394 Y CB -0.747 37.825 38.460 0.186 0.000 0.969 394 Y HN -0.207 nan 8.280 nan 0.000 0.492 395 V N 0.812 120.834 119.914 0.180 0.000 2.277 395 V HA -0.357 3.762 4.120 -0.001 0.000 0.253 395 V C 2.413 178.502 176.094 -0.009 0.000 1.067 395 V CA 2.430 64.766 62.300 0.059 0.000 1.047 395 V CB -0.650 31.292 31.823 0.198 0.000 0.649 395 V HN 0.453 nan 8.190 nan 0.000 0.447 396 E N 0.009 120.237 120.200 0.046 0.000 2.060 396 E HA -0.105 4.245 4.350 -0.001 0.000 0.189 396 E C 2.263 178.850 176.600 -0.021 0.000 0.974 396 E CA 0.875 57.282 56.400 0.011 0.000 0.808 396 E CB -0.224 29.496 29.700 0.033 0.000 0.768 396 E HN 0.621 nan 8.360 nan 0.000 0.453 397 K N -0.415 120.002 120.400 0.028 0.000 2.057 397 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 397 K C 1.785 178.186 176.600 -0.331 0.000 1.050 397 K CA 1.312 57.546 56.287 -0.089 0.000 0.935 397 K CB -0.004 32.553 32.500 0.094 0.000 0.715 397 K HN 0.035 nan 8.250 nan 0.000 0.439 398 F N -0.950 118.922 119.950 -0.131 0.000 2.522 398 F HA 0.101 4.627 4.527 -0.001 0.000 0.275 398 F C 1.720 177.365 175.800 -0.259 0.000 0.890 398 F CA -0.495 57.405 58.000 -0.167 0.000 1.157 398 F CB -0.785 38.150 39.000 -0.108 0.000 1.117 398 F HN -0.225 nan 8.300 nan 0.000 0.787 399 L N 1.286 122.323 121.223 -0.310 0.000 2.197 399 L HA -0.195 4.145 4.340 -0.001 0.000 0.215 399 L C 1.690 178.498 176.870 -0.103 0.000 1.095 399 L CA 1.918 56.611 54.840 -0.245 0.000 0.764 399 L CB -0.634 41.243 42.059 -0.304 0.000 0.897 399 L HN 0.117 nan 8.230 nan 0.000 0.436 400 K N -0.381 119.960 120.400 -0.098 0.000 2.500 400 K HA 0.129 4.448 4.320 -0.001 0.000 0.206 400 K C -0.033 176.525 176.600 -0.070 0.000 1.034 400 K CA -0.251 55.991 56.287 -0.076 0.000 1.179 400 K CB 0.096 32.554 32.500 -0.070 0.000 0.884 400 K HN 0.257 nan 8.250 nan 0.000 0.493 401 R N 0.625 121.086 120.500 -0.065 0.000 2.410 401 R HA 0.008 4.348 4.340 -0.001 0.000 0.288 401 R C 0.856 177.131 176.300 -0.041 0.000 1.051 401 R CA -0.316 55.746 56.100 -0.063 0.000 1.021 401 R CB 1.126 31.388 30.300 -0.064 0.000 1.032 401 R HN 0.100 nan 8.270 nan 0.000 0.481 402 E N 2.522 122.698 120.200 -0.041 0.000 2.033 402 E HA -0.231 4.119 4.350 -0.001 0.000 0.199 402 E C -0.014 176.573 176.600 -0.021 0.000 1.011 402 E CA 1.749 58.130 56.400 -0.031 0.000 0.815 402 E CB 0.094 29.776 29.700 -0.030 0.000 0.755 402 E HN 0.665 nan 8.360 nan 0.000 0.451 403 E N -0.736 119.453 120.200 -0.018 0.000 2.261 403 E HA 0.310 4.660 4.350 -0.001 0.000 0.308 403 E C 0.114 176.715 176.600 0.002 0.000 1.400 403 E CA 0.312 56.706 56.400 -0.010 0.000 1.542 403 E CB 0.744 30.438 29.700 -0.011 0.000 1.369 403 E HN 0.282 nan 8.360 nan 0.000 0.493 404 A N 1.729 124.552 122.820 0.005 0.000 2.226 404 A HA 0.001 4.321 4.320 -0.001 0.000 0.207 404 A C 1.873 179.470 177.584 0.021 0.000 1.293 404 A CA 0.173 52.224 52.037 0.023 0.000 0.968 404 A CB 0.092 19.108 19.000 0.026 0.000 1.044 404 A HN 0.434 nan 8.150 nan 0.000 0.493 405 E N 1.489 121.694 120.200 0.009 0.000 2.005 405 E HA -0.266 4.084 4.350 -0.001 0.000 0.198 405 E C 2.005 178.608 176.600 0.004 0.000 1.010 405 E CA 1.710 58.115 56.400 0.008 0.000 0.825 405 E CB -0.266 29.434 29.700 0.000 0.000 0.769 405 E HN 0.621 nan 8.360 nan 0.000 0.456 406 R N 0.152 120.649 120.500 -0.004 0.000 2.293 406 R HA -0.064 4.275 4.340 -0.001 0.000 0.219 406 R C 1.939 178.226 176.300 -0.022 0.000 1.091 406 R CA 1.129 57.222 56.100 -0.013 0.000 1.004 406 R CB -0.276 30.015 30.300 -0.015 0.000 0.865 406 R HN 0.115 nan 8.270 nan 0.000 0.469 407 V N 1.048 120.954 119.914 -0.014 0.000 2.878 407 V HA -0.019 4.100 4.120 -0.001 0.000 0.250 407 V C 1.852 177.929 176.094 -0.028 0.000 1.075 407 V CA 0.950 63.236 62.300 -0.024 0.000 1.096 407 V CB -0.159 31.665 31.823 0.002 0.000 0.724 407 V HN 0.299 nan 8.190 nan 0.000 0.467 408 L N -0.484 120.739 121.223 0.000 0.000 2.628 408 L HA 0.216 4.555 4.340 -0.001 0.000 0.229 408 L C 1.902 178.768 176.870 -0.006 0.000 1.137 408 L CA 0.303 55.153 54.840 0.015 0.000 0.909 408 L CB 0.031 42.128 42.059 0.065 0.000 1.137 408 L HN 0.294 nan 8.230 nan 0.000 0.470 409 E N -0.399 119.784 120.200 -0.028 0.000 2.520 409 E HA -0.061 4.289 4.350 -0.001 0.000 0.201 409 E C 1.536 178.100 176.600 -0.061 0.000 0.894 409 E CA 0.245 56.628 56.400 -0.028 0.000 1.161 409 E CB 0.289 29.981 29.700 -0.012 0.000 1.137 409 E HN 0.134 nan 8.360 nan 0.000 0.510 410 E N 1.734 121.892 120.200 -0.071 0.000 2.204 410 E HA -0.075 4.275 4.350 -0.001 0.000 0.195 410 E C 1.645 178.147 176.600 -0.163 0.000 0.990 410 E CA 1.235 57.582 56.400 -0.088 0.000 0.821 410 E CB -0.030 29.626 29.700 -0.073 0.000 0.750 410 E HN 0.208 nan 8.360 nan 0.000 0.477 411 A N 0.343 123.021 122.820 -0.236 0.000 1.935 411 A HA -0.029 4.291 4.320 -0.001 0.000 0.214 411 A C 2.096 179.303 177.584 -0.629 0.000 1.178 411 A CA 1.241 52.973 52.037 -0.509 0.000 0.640 411 A CB -0.372 18.342 19.000 -0.476 0.000 0.825 411 A HN 0.196 nan 8.150 nan 0.000 0.447 412 K N 0.329 120.562 120.400 -0.277 0.000 2.026 412 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 412 K C 2.155 178.748 176.600 -0.011 0.000 1.048 412 K CA 1.799 58.031 56.287 -0.091 0.000 0.929 412 K CB -0.203 32.298 32.500 0.001 0.000 0.713 412 K HN 0.403 nan 8.250 nan 0.000 0.439 413 K N 0.248 120.628 120.400 -0.034 0.000 2.020 413 K HA -0.194 4.125 4.320 -0.001 0.000 0.212 413 K C 2.002 178.630 176.600 0.048 0.000 1.050 413 K CA 1.522 57.817 56.287 0.014 0.000 0.929 413 K CB -0.290 32.206 32.500 -0.007 0.000 0.714 413 K HN 0.238 nan 8.250 nan 0.000 0.443 414 A N 0.999 123.811 122.820 -0.013 0.000 1.865 414 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 414 A C 2.003 179.755 177.584 0.279 0.000 1.191 414 A CA 1.571 53.645 52.037 0.063 0.000 0.623 414 A CB -1.022 17.962 19.000 -0.027 0.000 0.826 414 A HN 0.481 nan 8.150 nan 0.000 0.444 415 F N -0.725 119.290 119.950 0.107 0.000 2.641 415 F HA -0.048 4.479 4.527 -0.001 0.000 0.298 415 F C 2.219 178.241 175.800 0.370 0.000 1.146 415 F CA 1.021 59.185 58.000 0.274 0.000 1.464 415 F CB 0.065 39.287 39.000 0.369 0.000 1.101 415 F HN 0.274 nan 8.300 nan 0.000 0.585 416 K N -0.023 120.601 120.400 0.373 0.000 2.352 416 K HA -0.014 4.306 4.320 -0.001 0.000 0.194 416 K C -0.247 176.476 176.600 0.205 0.000 1.038 416 K CA 0.456 56.892 56.287 0.248 0.000 1.023 416 K CB 0.380 32.971 32.500 0.152 0.000 0.840 416 K HN 0.018 nan 8.250 nan 0.000 0.519 417 D N 1.524 122.046 120.400 0.204 0.000 2.456 417 D HA 0.225 4.865 4.640 -0.001 0.000 0.287 417 D C -1.066 175.329 176.300 0.158 0.000 1.186 417 D CA -0.091 53.997 54.000 0.148 0.000 0.916 417 D CB 0.826 41.683 40.800 0.095 0.000 1.029 417 D HN 0.106 nan 8.370 nan 0.000 0.498 418 L N 2.430 123.781 121.223 0.214 0.000 2.596 418 L HA 0.156 4.495 4.340 -0.001 0.000 0.265 418 L C 1.379 178.389 176.870 0.235 0.000 0.962 418 L CA -0.673 54.287 54.840 0.199 0.000 0.891 418 L CB 1.899 44.064 42.059 0.177 0.000 1.248 418 L HN -0.002 nan 8.230 nan 0.000 0.410 419 N N 0.630 119.417 118.700 0.145 0.000 2.080 419 N HA -0.090 4.650 4.740 -0.001 0.000 0.189 419 N C 0.887 176.489 175.510 0.153 0.000 1.036 419 N CA 0.652 53.777 53.050 0.125 0.000 0.846 419 N CB 0.137 38.671 38.487 0.077 0.000 1.015 419 N HN 0.480 nan 8.380 nan 0.000 0.423 420 S N -1.302 114.477 115.700 0.133 0.000 2.655 420 S HA 0.316 4.785 4.470 -0.001 0.000 0.265 420 S C -1.226 173.520 174.600 0.243 0.000 1.240 420 S CA -0.683 57.600 58.200 0.138 0.000 0.986 420 S CB 0.380 63.617 63.200 0.062 0.000 0.985 420 S HN 0.493 nan 8.310 nan 0.000 0.562 421 W N 3.720 125.010 121.300 -0.015 0.000 3.164 421 W HA 0.235 4.895 4.660 -0.000 0.000 0.311 421 W C -1.242 175.261 176.519 -0.026 0.000 1.080 421 W CA -0.523 56.804 57.345 -0.030 0.000 1.231 421 W CB 0.450 29.888 29.460 -0.037 0.000 1.060 421 W HN 1.060 nan 8.180 nan 0.000 0.358 422 N N 2.077 120.760 118.700 -0.029 0.000 3.643 422 N HA 0.479 5.219 4.740 -0.001 0.000 0.336 422 N C 0.611 176.087 175.510 -0.057 0.000 1.559 422 N CA -0.328 52.735 53.050 0.022 0.000 0.644 422 N CB 0.804 39.299 38.487 0.014 0.000 2.909 422 N HN 0.099 nan 8.380 nan 0.000 0.592 423 M N -0.617 118.964 119.600 -0.032 0.000 2.544 423 M HA 0.217 4.696 4.480 -0.001 0.000 0.251 423 M C 1.914 178.119 176.300 -0.158 0.000 1.189 423 M CA 0.791 56.074 55.300 -0.028 0.000 1.218 423 M CB -0.394 32.224 32.600 0.030 0.000 1.259 423 M HN 0.687 nan 8.290 nan 0.000 0.495 424 E N 0.785 120.902 120.200 -0.138 0.000 2.171 424 E HA -0.229 4.121 4.350 -0.001 0.000 0.197 424 E C 1.724 178.201 176.600 -0.205 0.000 0.997 424 E CA 1.212 57.507 56.400 -0.175 0.000 0.810 424 E CB 0.217 29.853 29.700 -0.106 0.000 0.738 424 E HN 0.321 nan 8.360 nan 0.000 0.467 425 E N 0.404 120.489 120.200 -0.191 0.000 2.015 425 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 425 E C 2.252 178.697 176.600 -0.258 0.000 0.991 425 E CA 1.060 57.337 56.400 -0.205 0.000 0.802 425 E CB -0.279 29.289 29.700 -0.219 0.000 0.759 425 E HN 0.456 nan 8.360 nan 0.000 0.447 426 I N 1.151 121.524 120.570 -0.328 0.000 2.546 426 I HA -0.178 3.992 4.170 -0.001 0.000 0.255 426 I C 2.498 178.423 176.117 -0.320 0.000 1.163 426 I CA 0.726 61.863 61.300 -0.273 0.000 1.457 426 I CB -0.254 37.590 38.000 -0.261 0.000 1.092 426 I HN 0.127 nan 8.210 nan 0.000 0.434 427 E N 2.254 122.036 120.200 -0.697 0.000 2.204 427 E HA -0.257 4.093 4.350 -0.001 0.000 0.195 427 E C 2.039 178.346 176.600 -0.489 0.000 0.990 427 E CA 1.333 56.997 56.400 -1.227 0.000 0.821 427 E CB 0.144 29.275 29.700 -0.949 0.000 0.750 427 E HN 0.605 nan 8.360 nan 0.000 0.477 428 K N -1.285 118.957 120.400 -0.263 0.000 2.334 428 K HA 0.122 4.442 4.320 -0.001 0.000 0.195 428 K C 1.893 178.465 176.600 -0.046 0.000 1.045 428 K CA 0.744 56.961 56.287 -0.117 0.000 1.004 428 K CB 0.081 32.520 32.500 -0.101 0.000 0.837 428 K HN -0.136 nan 8.250 nan 0.000 0.510 429 T N 2.030 116.563 114.554 -0.036 0.000 2.720 429 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 429 T C 1.402 176.142 174.700 0.066 0.000 1.037 429 T CA 1.381 63.505 62.100 0.039 0.000 1.144 429 T CB -0.099 68.847 68.868 0.130 0.000 0.864 429 T HN 0.069 nan 8.240 nan 0.000 0.444 430 L N 0.247 121.546 121.223 0.127 0.000 2.529 430 L HA 0.329 4.668 4.340 -0.001 0.000 0.223 430 L C 2.244 179.133 176.870 0.032 0.000 1.113 430 L CA 0.648 55.533 54.840 0.075 0.000 0.861 430 L CB -0.557 41.607 42.059 0.176 0.000 1.012 430 L HN 0.079 nan 8.230 nan 0.000 0.461 431 R N -0.172 120.382 120.500 0.089 0.000 2.237 431 R HA -0.152 4.187 4.340 -0.001 0.000 0.219 431 R C 1.728 178.049 176.300 0.035 0.000 1.080 431 R CA 1.283 57.440 56.100 0.094 0.000 0.995 431 R CB 0.019 30.351 30.300 0.054 0.000 0.875 431 R HN 0.347 nan 8.270 nan 0.000 0.462 432 D N -0.253 120.151 120.400 0.006 0.000 2.379 432 D HA -0.017 4.622 4.640 -0.001 0.000 0.218 432 D C 1.881 178.165 176.300 -0.026 0.000 1.006 432 D CA 0.216 54.212 54.000 -0.007 0.000 0.893 432 D CB 0.282 41.076 40.800 -0.009 0.000 1.019 432 D HN 0.235 nan 8.370 nan 0.000 0.503 433 L N 1.201 122.396 121.223 -0.046 0.000 2.187 433 L HA -0.155 4.184 4.340 -0.001 0.000 0.213 433 L C 2.486 179.307 176.870 -0.080 0.000 1.100 433 L CA 1.456 56.253 54.840 -0.073 0.000 0.765 433 L CB -0.401 41.595 42.059 -0.105 0.000 0.904 433 L HN 0.078 nan 8.230 nan 0.000 0.437 434 S N -1.458 114.189 115.700 -0.088 0.000 2.496 434 S HA -0.050 4.420 4.470 -0.001 0.000 0.224 434 S C 1.466 176.051 174.600 -0.024 0.000 0.996 434 S CA 0.199 58.355 58.200 -0.073 0.000 0.927 434 S CB -0.061 63.088 63.200 -0.085 0.000 0.774 434 S HN 0.491 nan 8.310 nan 0.000 0.524 435 E N 0.958 121.149 120.200 -0.015 0.000 2.474 435 E HA 0.158 4.507 4.350 -0.001 0.000 0.195 435 E C 1.032 177.627 176.600 -0.009 0.000 1.039 435 E CA 0.026 56.424 56.400 -0.003 0.000 0.881 435 E CB 0.109 29.811 29.700 0.004 0.000 0.970 435 E HN 0.533 nan 8.360 nan 0.000 0.486 436 K N 0.080 120.470 120.400 -0.018 0.000 2.458 436 K HA 0.067 4.387 4.320 -0.001 0.000 0.194 436 K C 1.121 177.712 176.600 -0.015 0.000 1.024 436 K CA 0.439 56.715 56.287 -0.018 0.000 1.108 436 K CB 0.439 32.924 32.500 -0.025 0.000 0.846 436 K HN 0.204 nan 8.250 nan 0.000 0.518 437 G N 1.595 110.387 108.800 -0.013 0.000 2.196 437 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.268 437 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.268 437 G C 0.813 175.706 174.900 -0.013 0.000 0.975 437 G CA 0.463 45.557 45.100 -0.009 0.000 0.648 437 G HN 0.313 nan 8.290 nan 0.000 0.538 438 L N -0.980 120.231 121.223 -0.019 0.000 2.362 438 L HA 0.356 4.696 4.340 -0.001 0.000 0.219 438 L C 2.082 178.942 176.870 -0.017 0.000 1.134 438 L CA 1.637 56.465 54.840 -0.020 0.000 0.807 438 L CB -0.506 41.536 42.059 -0.029 0.000 0.927 438 L HN 0.766 nan 8.230 nan 0.000 0.447 439 A N -1.266 121.543 122.820 -0.017 0.000 1.974 439 A HA 0.560 4.880 4.320 -0.001 0.000 0.153 439 A C -0.717 176.866 177.584 -0.003 0.000 1.522 439 A CA 0.405 52.438 52.037 -0.007 0.000 2.824 439 A CB 0.403 19.400 19.000 -0.005 0.000 3.061 439 A HN 0.121 nan 8.150 nan 0.000 1.292 440 S N -0.687 115.009 115.700 -0.007 0.000 2.597 440 S HA 0.418 4.888 4.470 -0.001 0.000 0.274 440 S C -0.862 173.728 174.600 -0.017 0.000 1.132 440 S CA 0.024 58.230 58.200 0.010 0.000 0.835 440 S CB 0.862 64.091 63.200 0.048 0.000 1.092 440 S HN 1.232 nan 8.310 nan 0.000 0.457 441 K N 0.702 121.122 120.400 0.033 0.000 3.358 441 K HA 0.281 4.600 4.320 -0.001 0.000 0.297 441 K C 0.469 177.303 176.600 0.390 0.000 1.064 441 K CA -0.053 56.289 56.287 0.090 0.000 1.144 441 K CB -0.296 32.400 32.500 0.326 0.000 1.289 441 K HN 0.669 nan 8.250 nan 0.000 0.372 442 K N -0.186 120.366 120.400 0.253 0.000 2.937 442 K HA 0.003 4.322 4.320 -0.001 0.000 0.194 442 K C 1.159 177.962 176.600 0.338 0.000 1.589 442 K CA 0.119 56.619 56.287 0.355 0.000 1.303 442 K CB 0.465 33.119 32.500 0.257 0.000 1.864 442 K HN 0.068 nan 8.250 nan 0.000 0.608 443 V N 1.548 121.629 119.914 0.278 0.000 2.488 443 V HA -0.116 4.004 4.120 -0.001 0.000 0.246 443 V C 2.193 178.418 176.094 0.218 0.000 1.046 443 V CA 1.343 63.889 62.300 0.411 0.000 1.053 443 V CB 0.258 32.239 31.823 0.265 0.000 0.679 443 V HN 0.104 nan 8.190 nan 0.000 0.458 444 V N -0.377 119.542 119.914 0.008 0.000 2.343 444 V HA -0.220 3.900 4.120 -0.001 0.000 0.247 444 V C 2.255 178.285 176.094 -0.106 0.000 1.051 444 V CA 2.022 64.249 62.300 -0.120 0.000 1.036 444 V CB -0.814 30.813 31.823 -0.326 0.000 0.654 444 V HN 0.444 nan 8.190 nan 0.000 0.451 445 F N -0.042 119.944 119.950 0.060 0.000 2.269 445 F HA -0.120 4.406 4.527 -0.001 0.000 0.301 445 F C 2.559 178.302 175.800 -0.096 0.000 1.082 445 F CA 1.060 59.053 58.000 -0.012 0.000 1.360 445 F CB -0.543 38.440 39.000 -0.027 0.000 1.041 445 F HN 0.163 nan 8.300 nan 0.000 0.512 446 Q N -0.175 119.634 119.800 0.014 0.000 2.165 446 Q HA 0.050 4.389 4.340 -0.001 0.000 0.197 446 Q C 2.527 178.456 176.000 -0.117 0.000 0.952 446 Q CA 0.727 56.361 55.803 -0.280 0.000 0.848 446 Q CB -0.624 27.521 28.738 -0.988 0.000 0.931 446 Q HN 0.417 nan 8.270 nan 0.000 0.470 447 L N 0.444 121.707 121.223 0.067 0.000 2.261 447 L HA -0.156 4.183 4.340 -0.001 0.000 0.216 447 L C 1.929 178.927 176.870 0.213 0.000 1.114 447 L CA 0.618 55.627 54.840 0.282 0.000 0.777 447 L CB -0.204 41.985 42.059 0.216 0.000 0.910 447 L HN 0.187 nan 8.230 nan 0.000 0.440 448 I N -1.138 119.491 120.570 0.098 0.000 2.927 448 I HA -0.093 4.077 4.170 -0.001 0.000 0.268 448 I C 2.522 178.633 176.117 -0.010 0.000 1.153 448 I CA 0.783 62.142 61.300 0.100 0.000 1.459 448 I CB -0.902 37.204 38.000 0.176 0.000 1.149 448 I HN 0.248 nan 8.210 nan 0.000 0.443 449 R N 1.413 121.859 120.500 -0.091 0.000 2.080 449 R HA -0.149 4.190 4.340 -0.001 0.000 0.236 449 R C 2.063 178.153 176.300 -0.350 0.000 1.137 449 R CA 2.038 58.019 56.100 -0.198 0.000 0.943 449 R CB -0.491 29.681 30.300 -0.213 0.000 0.846 449 R HN 0.345 nan 8.270 nan 0.000 0.431 450 G N -1.028 107.417 108.800 -0.591 0.000 2.920 450 G HA2 0.028 3.988 3.960 -0.001 0.000 0.208 450 G HA3 0.028 3.988 3.960 -0.001 0.000 0.208 450 G C 1.222 175.755 174.900 -0.611 0.000 1.159 450 G CA 0.390 44.913 45.100 -0.962 0.000 0.784 450 G HN 0.458 nan 8.290 nan 0.000 0.535 451 A N 0.387 123.067 122.820 -0.233 0.000 2.015 451 A HA 0.141 4.461 4.320 -0.001 0.000 0.219 451 A C 2.419 179.966 177.584 -0.063 0.000 1.163 451 A CA 2.215 54.279 52.037 0.045 0.000 0.646 451 A CB -0.202 18.876 19.000 0.130 0.000 0.806 451 A HN 0.875 nan 8.150 nan 0.000 0.448 452 V N -4.210 115.533 119.914 -0.285 0.000 3.484 452 V HA 0.093 4.212 4.120 -0.001 0.000 0.252 452 V C 1.788 177.254 176.094 -1.047 0.000 1.282 452 V CA 1.481 63.513 62.300 -0.447 0.000 1.104 452 V CB -0.418 31.242 31.823 -0.271 0.000 0.868 452 V HN 0.518 nan 8.190 nan 0.000 0.457 453 T N -3.007 111.031 114.554 -0.860 0.000 3.001 453 T HA 0.368 4.718 4.350 -0.001 0.000 0.251 453 T C 1.696 175.926 174.700 -0.785 0.000 1.040 453 T CA 0.820 62.414 62.100 -0.844 0.000 0.985 453 T CB 0.219 68.819 68.868 -0.447 0.000 1.011 453 T HN 1.653 nan 8.240 nan 0.000 0.509 454 G N 1.790 110.122 108.800 -0.779 0.000 2.283 454 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.280 454 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.280 454 G C -0.189 174.510 174.900 -0.335 0.000 1.029 454 G CA 0.589 45.373 45.100 -0.527 0.000 0.840 454 G HN 0.711 nan 8.290 nan 0.000 0.505 455 K N -1.488 118.668 120.400 -0.407 0.000 2.443 455 K HA 0.677 4.997 4.320 -0.001 0.000 0.251 455 K C 0.886 177.317 176.600 -0.282 0.000 0.972 455 K CA -1.079 55.065 56.287 -0.239 0.000 0.833 455 K CB 1.642 34.048 32.500 -0.156 0.000 1.317 455 K HN -0.011 nan 8.250 nan 0.000 0.441 456 L N 0.673 121.813 121.223 -0.138 0.000 2.590 456 L HA 0.198 4.537 4.340 -0.001 0.000 0.227 456 L C -0.179 176.636 176.870 -0.091 0.000 1.099 456 L CA 0.037 54.806 54.840 -0.118 0.000 0.872 456 L CB 0.915 42.978 42.059 0.006 0.000 1.088 456 L HN 0.206 nan 8.230 nan 0.000 0.479 457 V N 0.499 120.369 119.914 -0.073 0.000 2.349 457 V HA 0.444 4.564 4.120 -0.001 0.000 0.284 457 V C -0.091 175.965 176.094 -0.063 0.000 1.014 457 V CA -0.331 61.935 62.300 -0.057 0.000 0.826 457 V CB 1.231 33.038 31.823 -0.027 0.000 1.009 457 V HN 0.320 nan 8.190 nan 0.000 0.431 458 T N 3.047 117.557 114.554 -0.073 0.000 2.787 458 T HA 0.696 5.046 4.350 -0.001 0.000 0.297 458 T C -2.607 172.057 174.700 -0.060 0.000 1.221 458 T CA -1.389 60.679 62.100 -0.054 0.000 1.006 458 T CB 2.206 71.041 68.868 -0.055 0.000 1.328 458 T HN 0.378 nan 8.240 nan 0.000 0.509 459 P HA 0.277 nan 4.420 nan 0.000 0.327 459 P C 0.664 177.919 177.300 -0.074 0.000 1.342 459 P CA -0.134 62.934 63.100 -0.053 0.000 0.761 459 P CB -0.538 31.137 31.700 -0.043 0.000 1.675 460 G N -0.176 108.585 108.800 -0.066 0.000 2.202 460 G HA2 0.041 4.001 3.960 -0.001 0.000 0.251 460 G HA3 0.041 4.001 3.960 -0.001 0.000 0.251 460 G C 0.807 175.621 174.900 -0.145 0.000 1.219 460 G CA -0.286 44.756 45.100 -0.096 0.000 0.943 460 G HN 0.460 nan 8.290 nan 0.000 0.465 461 L N 3.253 124.281 121.223 -0.325 0.000 2.056 461 L HA 0.109 4.449 4.340 -0.001 0.000 0.207 461 L C 2.025 178.709 176.870 -0.310 0.000 1.078 461 L CA 1.542 56.145 54.840 -0.396 0.000 0.749 461 L CB -0.455 41.217 42.059 -0.646 0.000 0.901 461 L HN 0.520 nan 8.230 nan 0.000 0.433 462 F N -0.208 119.733 119.950 -0.014 0.000 2.804 462 F HA 0.113 4.640 4.527 -0.001 0.000 0.303 462 F C 1.877 177.666 175.800 -0.019 0.000 1.154 462 F CA 0.254 58.235 58.000 -0.032 0.000 1.401 462 F CB -0.665 38.309 39.000 -0.043 0.000 1.106 462 F HN 0.272 nan 8.300 nan 0.000 0.568 463 E N -1.282 118.973 120.200 0.092 0.000 2.391 463 E HA 0.021 4.371 4.350 -0.001 0.000 0.206 463 E C 1.737 178.391 176.600 0.089 0.000 0.851 463 E CA 0.549 57.002 56.400 0.088 0.000 1.059 463 E CB -0.033 29.699 29.700 0.054 0.000 1.065 463 E HN 0.129 nan 8.360 nan 0.000 0.512 464 T N 1.459 116.045 114.554 0.053 0.000 2.995 464 T HA 0.047 4.397 4.350 -0.001 0.000 0.269 464 T C 1.862 176.574 174.700 0.019 0.000 1.091 464 T CA 0.642 62.771 62.100 0.048 0.000 1.128 464 T CB 0.035 68.893 68.868 -0.016 0.000 0.891 464 T HN 0.088 nan 8.240 nan 0.000 0.492 465 I N 0.739 121.350 120.570 0.068 0.000 2.480 465 I HA -0.016 4.154 4.170 -0.001 0.000 0.251 465 I C 2.659 178.960 176.117 0.307 0.000 1.124 465 I CA 0.949 62.335 61.300 0.144 0.000 1.444 465 I CB -0.251 37.815 38.000 0.110 0.000 1.098 465 I HN 0.263 nan 8.210 nan 0.000 0.428 466 E N 1.207 121.594 120.200 0.312 0.000 2.047 466 E HA -0.223 4.127 4.350 -0.001 0.000 0.191 466 E C 2.317 179.005 176.600 0.146 0.000 0.987 466 E CA 1.240 57.844 56.400 0.341 0.000 0.799 466 E CB 0.090 29.950 29.700 0.266 0.000 0.752 466 E HN 0.240 nan 8.360 nan 0.000 0.449 467 V N 1.052 121.054 119.914 0.147 0.000 2.688 467 V HA -0.162 3.957 4.120 -0.001 0.000 0.256 467 V C 1.721 177.927 176.094 0.187 0.000 1.084 467 V CA 1.290 63.703 62.300 0.189 0.000 1.103 467 V CB -0.229 31.731 31.823 0.228 0.000 0.688 467 V HN 0.293 nan 8.190 nan 0.000 0.480 468 L N 0.215 121.466 121.223 0.046 0.000 2.653 468 L HA 0.390 4.730 4.340 -0.001 0.000 0.232 468 L C 1.786 178.512 176.870 -0.241 0.000 1.169 468 L CA 0.386 55.183 54.840 -0.071 0.000 0.951 468 L CB -0.913 41.088 42.059 -0.098 0.000 1.181 468 L HN 0.496 nan 8.230 nan 0.000 0.460 469 G N 1.707 110.342 108.800 -0.275 0.000 2.774 469 G HA2 -0.474 3.485 3.960 -0.001 0.000 0.342 469 G HA3 -0.474 3.485 3.960 -0.001 0.000 0.342 469 G C 0.979 175.230 174.900 -1.082 0.000 1.185 469 G CA 1.287 46.092 45.100 -0.492 0.000 0.956 469 G HN 0.445 nan 8.290 nan 0.000 0.561 470 K N -1.541 118.341 120.400 -0.862 0.000 2.706 470 K HA 0.118 4.437 4.320 -0.001 0.000 0.179 470 K C 2.018 178.337 176.600 -0.468 0.000 1.768 470 K CA 0.753 56.384 56.287 -1.095 0.000 1.281 470 K CB -0.176 31.710 32.500 -1.023 0.000 1.819 470 K HN 0.294 nan 8.250 nan 0.000 0.602 471 E N 1.762 121.772 120.200 -0.317 0.000 2.015 471 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 471 E C 1.802 178.327 176.600 -0.126 0.000 0.991 471 E CA 1.259 57.556 56.400 -0.172 0.000 0.802 471 E CB -0.103 29.508 29.700 -0.149 0.000 0.759 471 E HN 0.275 nan 8.360 nan 0.000 0.447 472 R N 0.481 120.890 120.500 -0.151 0.000 2.133 472 R HA -0.146 4.194 4.340 -0.001 0.000 0.247 472 R C 2.456 178.730 176.300 -0.044 0.000 1.151 472 R CA 1.849 57.890 56.100 -0.099 0.000 0.971 472 R CB -0.809 29.414 30.300 -0.129 0.000 0.866 472 R HN 0.176 nan 8.270 nan 0.000 0.447 473 T N 1.867 116.388 114.554 -0.054 0.000 2.545 473 T HA -0.136 4.213 4.350 -0.001 0.000 0.261 473 T C 1.985 176.764 174.700 0.130 0.000 1.097 473 T CA 1.397 63.539 62.100 0.070 0.000 1.189 473 T CB -0.379 68.576 68.868 0.145 0.000 0.863 473 T HN 0.131 nan 8.240 nan 0.000 0.405 474 L N 0.687 121.985 121.223 0.124 0.000 2.043 474 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 474 L C 2.677 179.601 176.870 0.089 0.000 1.075 474 L CA 1.571 56.487 54.840 0.126 0.000 0.752 474 L CB -0.643 41.475 42.059 0.099 0.000 0.891 474 L HN 0.292 nan 8.230 nan 0.000 0.432 475 K N -0.133 120.298 120.400 0.052 0.000 2.103 475 K HA -0.181 4.138 4.320 -0.001 0.000 0.207 475 K C 2.197 178.843 176.600 0.078 0.000 1.048 475 K CA 1.408 57.722 56.287 0.045 0.000 0.930 475 K CB -0.138 32.369 32.500 0.012 0.000 0.716 475 K HN 0.355 nan 8.250 nan 0.000 0.444 476 R N 0.198 120.760 120.500 0.104 0.000 2.189 476 R HA 0.135 4.475 4.340 -0.001 0.000 0.203 476 R C 2.123 178.536 176.300 0.189 0.000 1.012 476 R CA 0.229 56.427 56.100 0.164 0.000 1.015 476 R CB 0.022 30.433 30.300 0.186 0.000 0.938 476 R HN 0.111 nan 8.270 nan 0.000 0.472 477 L N 0.735 122.056 121.223 0.165 0.000 2.362 477 L HA -0.122 4.218 4.340 -0.001 0.000 0.219 477 L C 2.201 179.160 176.870 0.149 0.000 1.134 477 L CA 0.959 55.900 54.840 0.168 0.000 0.807 477 L CB -0.114 42.041 42.059 0.161 0.000 0.927 477 L HN 0.140 nan 8.230 nan 0.000 0.447 478 E N 0.437 120.715 120.200 0.131 0.000 2.140 478 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 478 E C 2.215 178.893 176.600 0.130 0.000 0.973 478 E CA 0.607 57.072 56.400 0.109 0.000 0.829 478 E CB 0.077 29.826 29.700 0.082 0.000 0.781 478 E HN 0.177 nan 8.360 nan 0.000 0.466 479 R N -0.229 120.363 120.500 0.154 0.000 2.073 479 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 479 R C 1.842 178.293 176.300 0.252 0.000 1.134 479 R CA 2.090 58.297 56.100 0.177 0.000 0.952 479 R CB -0.603 29.798 30.300 0.169 0.000 0.850 479 R HN 0.189 nan 8.270 nan 0.000 0.433 480 T N 2.026 116.772 114.554 0.321 0.000 2.665 480 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 480 T C 1.883 176.737 174.700 0.258 0.000 1.035 480 T CA 1.708 64.034 62.100 0.377 0.000 1.151 480 T CB -0.260 68.859 68.868 0.418 0.000 0.862 480 T HN 0.182 nan 8.240 nan 0.000 0.438 481 L N 0.822 122.155 121.223 0.184 0.000 1.990 481 L HA -0.210 4.130 4.340 -0.001 0.000 0.213 481 L C 3.082 180.006 176.870 0.091 0.000 1.072 481 L CA 1.329 56.238 54.840 0.115 0.000 0.755 481 L CB -0.668 41.444 42.059 0.089 0.000 0.889 481 L HN 0.220 nan 8.230 nan 0.000 0.432 482 Q N -0.721 119.143 119.800 0.105 0.000 2.084 482 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 482 Q C 2.122 178.168 176.000 0.077 0.000 0.978 482 Q CA 1.635 57.485 55.803 0.078 0.000 0.844 482 Q CB -0.705 28.085 28.738 0.087 0.000 0.898 482 Q HN 0.426 nan 8.270 nan 0.000 0.426 483 F N 1.323 121.244 119.950 -0.049 0.000 2.202 483 F HA -0.199 4.327 4.527 -0.001 0.000 0.301 483 F C 1.954 177.673 175.800 -0.137 0.000 1.082 483 F CA 0.772 58.688 58.000 -0.140 0.000 1.313 483 F CB -0.211 38.596 39.000 -0.321 0.000 1.024 483 F HN 0.100 nan 8.300 nan 0.000 0.495 484 L N 1.026 122.204 121.223 -0.075 0.000 2.056 484 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 484 L C 2.039 178.812 176.870 -0.162 0.000 1.078 484 L CA 1.847 56.604 54.840 -0.139 0.000 0.749 484 L CB -0.931 41.119 42.059 -0.015 0.000 0.901 484 L HN 0.018 nan 8.230 nan 0.000 0.433 485 K N 0.097 120.437 120.400 -0.100 0.000 2.574 485 K HA -0.067 4.253 4.320 -0.001 0.000 0.193 485 K C 0.126 176.653 176.600 -0.122 0.000 1.035 485 K CA 0.114 56.350 56.287 -0.085 0.000 0.982 485 K CB -0.133 32.341 32.500 -0.042 0.000 0.795 485 K HN 0.341 nan 8.250 nan 0.000 0.491 486 K N 0.000 120.276 120.400 -0.206 0.000 2.780 486 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 486 K CA 0.000 56.148 56.287 -0.231 0.000 0.838 486 K CB 0.000 32.389 32.500 -0.186 0.000 1.064 486 K HN 0.000 nan 8.250 nan 0.000 0.543