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 1grl_1_E DATA FIRST_RESID 6 DATA SEQUENCE VKFGNDAGVK MLRGVNVLAD AVKVTLGPKG RNVVLDKSFG APTITKDGVS DATA SEQUENCE VAREIELEDK FENMGAQMVK EVASKANDAA GDGTTTATVL AQAIITEGLK DATA SEQUENCE AVAAGMNPMD LKRGIDKAVT VAVEELKALS VPCSDSKAIA QVGTISANSD DATA SEQUENCE ETVGKLIAEA MDKVGKEGVI TVEDGTGLQD ELDVVEGMQF DRGYLSPYFI DATA SEQUENCE NKPETGAVEL ESPFILLADK KISNIREMLP VLEAVAKAGK PLLIIAEDVE DATA SEQUENCE GEALATAVVN TMRGIVKVAA VKAPGFGDRR KAMLQDIATL TGGTVISEEI DATA SEQUENCE GMELEKATLE DLGQAKRVVI NKDTTTIIDG VGEEAAIQGR VAQIRQQIEE DATA SEQUENCE ATSDYDREKL QERVAKLAGG VAVIKVGAAT EVEMKEKKAR VEDALHATRA DATA SEQUENCE AVEEGVVAGG GVALIRVASK LADLRGQNED QNVGIKVALR AMEAPLRQIV DATA SEQUENCE LNCGEEPSVV ANTVKGGDGN YGYNAATEEY GNMIDMGILD PTKVTRSALQ DATA SEQUENCE YAASVAGLMI TTECMVTD 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.978 176.094 -0.193 0.000 1.182 6 V CA 0.000 62.260 62.300 -0.067 0.000 1.235 6 V CB 0.000 31.755 31.823 -0.113 0.000 1.184 7 K N 5.331 125.505 120.400 -0.377 0.000 2.422 7 K HA 0.460 nan 4.320 nan 0.000 0.251 7 K C -2.127 174.129 176.600 -0.572 0.000 0.933 7 K CA -1.222 54.787 56.287 -0.464 0.000 0.798 7 K CB 4.574 36.652 32.500 -0.704 0.000 1.238 7 K HN 0.304 8.362 8.250 -0.320 0.000 0.428 8 F N 0.076 119.979 119.950 -0.080 0.000 2.522 8 F HA 0.654 nan 4.527 nan 0.000 0.324 8 F C 0.527 176.296 175.800 -0.051 0.000 1.077 8 F CA -0.744 57.229 58.000 -0.045 0.000 0.944 8 F CB 2.777 41.759 39.000 -0.030 0.000 1.175 8 F HN 0.076 8.381 8.300 0.007 0.000 0.468 9 G N 1.150 110.062 108.800 0.187 0.000 2.627 9 G HA2 -0.582 nan 3.960 nan 0.000 0.312 9 G HA3 -0.582 nan 3.960 nan 0.000 0.312 9 G C 0.167 175.087 174.900 0.034 0.000 1.299 9 G CA 1.305 46.460 45.100 0.092 0.000 0.989 9 G HN 0.496 8.930 8.290 0.240 0.000 0.547 10 N N 3.329 122.042 118.700 0.021 0.000 2.137 10 N HA -0.381 nan 4.740 nan 0.000 0.190 10 N C 1.832 177.328 175.510 -0.024 0.000 1.017 10 N CA 3.119 56.168 53.050 -0.001 0.000 0.859 10 N CB -0.166 38.321 38.487 -0.001 0.000 1.002 10 N HN 0.225 8.622 8.380 0.028 0.000 0.428 11 D N -0.596 119.782 120.400 -0.035 0.000 2.264 11 D HA -0.201 nan 4.640 nan 0.000 0.208 11 D C 1.186 177.390 176.300 -0.159 0.000 0.966 11 D CA 2.785 56.731 54.000 -0.090 0.000 0.864 11 D CB -0.519 40.228 40.800 -0.087 0.000 0.933 11 D HN -0.397 7.948 8.370 -0.010 0.019 0.499 12 A N -0.606 122.142 122.820 -0.120 0.000 1.903 12 A HA 0.042 nan 4.320 nan 0.000 0.213 12 A C 1.950 179.501 177.584 -0.055 0.000 1.185 12 A CA 2.458 54.418 52.037 -0.129 0.000 0.628 12 A CB -0.348 18.607 19.000 -0.074 0.000 0.830 12 A HN 0.167 8.109 8.150 -0.064 0.169 0.446 13 G N -1.539 107.243 108.800 -0.030 0.000 2.408 13 G HA2 -0.259 nan 3.960 nan 0.000 0.217 13 G HA3 -0.259 nan 3.960 nan 0.000 0.217 13 G C 1.078 175.972 174.900 -0.010 0.000 1.150 13 G CA 2.009 47.104 45.100 -0.009 0.000 0.776 13 G HN -0.242 7.937 8.290 -0.029 0.094 0.542 14 V N -2.640 117.259 119.914 -0.025 0.000 2.626 14 V HA -0.133 nan 4.120 nan 0.000 0.252 14 V C 1.745 177.833 176.094 -0.011 0.000 1.067 14 V CA 3.016 65.304 62.300 -0.019 0.000 1.081 14 V CB -0.894 30.913 31.823 -0.027 0.000 0.686 14 V HN 0.445 8.516 8.190 -0.038 0.096 0.468 15 K N 0.061 120.450 120.400 -0.017 0.000 2.098 15 K HA -0.080 nan 4.320 nan 0.000 0.203 15 K C 2.378 179.010 176.600 0.053 0.000 1.051 15 K CA 1.810 58.112 56.287 0.026 0.000 0.957 15 K CB -0.608 31.916 32.500 0.041 0.000 0.738 15 K HN -0.687 7.402 8.250 -0.042 0.136 0.447 16 M N -0.447 119.180 119.600 0.044 0.000 2.117 16 M HA -0.336 nan 4.480 nan 0.000 0.262 16 M C 2.419 178.737 176.300 0.029 0.000 1.065 16 M CA 3.842 59.169 55.300 0.043 0.000 1.114 16 M CB 0.176 32.797 32.600 0.036 0.000 1.361 16 M HN -0.455 7.852 8.290 0.029 0.000 0.408 17 L N -1.521 119.714 121.223 0.021 0.000 2.027 17 L HA -0.315 nan 4.340 nan 0.000 0.206 17 L C 1.537 178.417 176.870 0.016 0.000 1.074 17 L CA 3.257 58.107 54.840 0.015 0.000 0.745 17 L CB -0.409 41.656 42.059 0.010 0.000 0.898 17 L HN -0.252 7.984 8.230 0.017 0.005 0.433 18 R N -1.661 118.849 120.500 0.017 0.000 2.119 18 R HA -0.420 nan 4.340 nan 0.000 0.246 18 R C 2.714 179.026 176.300 0.020 0.000 1.146 18 R CA 3.849 59.959 56.100 0.017 0.000 0.962 18 R CB -0.223 30.089 30.300 0.020 0.000 0.863 18 R HN -0.257 8.023 8.270 0.016 0.000 0.442 19 G N -4.972 103.843 108.800 0.025 0.000 2.939 19 G HA2 0.093 nan 3.960 nan 0.000 0.210 19 G HA3 0.093 nan 3.960 nan 0.000 0.210 19 G C 0.571 175.481 174.900 0.017 0.000 1.160 19 G CA 0.610 45.724 45.100 0.022 0.000 0.770 19 G HN -0.442 7.865 8.290 0.031 0.002 0.543 20 V N 3.269 123.193 119.914 0.017 0.000 2.446 20 V HA -0.272 nan 4.120 nan 0.000 0.244 20 V C 1.513 177.615 176.094 0.012 0.000 1.039 20 V CA 3.590 65.899 62.300 0.015 0.000 1.045 20 V CB -0.203 31.629 31.823 0.016 0.000 0.681 20 V HN -0.278 7.746 8.190 0.019 0.178 0.459 21 N N -0.766 117.940 118.700 0.011 0.000 2.166 21 N HA -0.274 nan 4.740 nan 0.000 0.186 21 N C 2.264 177.779 175.510 0.008 0.000 1.019 21 N CA 3.420 56.475 53.050 0.009 0.000 0.856 21 N CB -0.555 37.936 38.487 0.008 0.000 0.993 21 N HN -0.043 8.344 8.380 0.012 0.000 0.426 22 V N 0.577 120.496 119.914 0.008 0.000 2.237 22 V HA -0.358 nan 4.120 nan 0.000 0.245 22 V C 1.777 177.875 176.094 0.006 0.000 1.046 22 V CA 4.052 66.356 62.300 0.007 0.000 1.007 22 V CB -0.616 31.211 31.823 0.007 0.000 0.638 22 V HN -0.752 7.354 8.190 0.010 0.090 0.445 23 L N -0.857 120.370 121.223 0.006 0.000 1.990 23 L HA -0.436 nan 4.340 nan 0.000 0.213 23 L C 1.653 178.526 176.870 0.006 0.000 1.072 23 L CA 3.331 58.174 54.840 0.005 0.000 0.755 23 L CB -0.801 41.261 42.059 0.006 0.000 0.889 23 L HN -0.797 7.437 8.230 0.008 0.000 0.432 24 A N -2.148 120.676 122.820 0.007 0.000 1.877 24 A HA -0.407 nan 4.320 nan 0.000 0.216 24 A C 1.947 179.535 177.584 0.006 0.000 1.186 24 A CA 3.392 55.434 52.037 0.007 0.000 0.620 24 A CB -1.001 18.004 19.000 0.009 0.000 0.822 24 A HN 0.604 8.653 8.150 0.008 0.106 0.443 25 D N -1.213 119.190 120.400 0.005 0.000 2.182 25 D HA -0.265 nan 4.640 nan 0.000 0.201 25 D C 1.486 177.788 176.300 0.004 0.000 0.986 25 D CA 2.839 56.842 54.000 0.004 0.000 0.847 25 D CB -0.400 40.402 40.800 0.004 0.000 0.942 25 D HN 0.180 8.436 8.370 0.006 0.118 0.467 26 A N -2.101 120.721 122.820 0.004 0.000 1.903 26 A HA 0.025 nan 4.320 nan 0.000 0.213 26 A C 1.475 179.062 177.584 0.004 0.000 1.185 26 A CA 2.420 54.459 52.037 0.003 0.000 0.628 26 A CB 0.600 19.601 19.000 0.003 0.000 0.830 26 A HN -0.605 7.521 8.150 0.004 0.026 0.446 27 V N -2.115 117.802 119.914 0.004 0.000 2.535 27 V HA -0.185 nan 4.120 nan 0.000 0.246 27 V C 2.231 178.329 176.094 0.006 0.000 1.045 27 V CA 3.351 65.654 62.300 0.005 0.000 1.058 27 V CB -0.483 31.343 31.823 0.005 0.000 0.689 27 V HN -0.636 7.556 8.190 0.004 0.000 0.461 28 K N -0.023 120.381 120.400 0.005 0.000 2.442 28 K HA -0.248 nan 4.320 nan 0.000 0.198 28 K C 2.481 179.084 176.600 0.004 0.000 1.042 28 K CA 2.732 59.022 56.287 0.005 0.000 0.958 28 K CB -0.577 31.925 32.500 0.005 0.000 0.766 28 K HN 0.045 8.298 8.250 0.005 0.000 0.474 29 V N -0.503 119.413 119.914 0.004 0.000 2.759 29 V HA -0.203 nan 4.120 nan 0.000 0.256 29 V C 1.011 177.108 176.094 0.004 0.000 1.080 29 V CA 3.077 65.379 62.300 0.003 0.000 1.101 29 V CB -0.639 31.186 31.823 0.003 0.000 0.698 29 V HN -0.012 8.009 8.190 0.004 0.171 0.477 30 T N -4.806 109.751 114.554 0.005 0.000 3.081 30 T HA -0.001 nan 4.350 nan 0.000 0.250 30 T C 0.226 174.931 174.700 0.007 0.000 1.100 30 T CA 0.053 62.157 62.100 0.006 0.000 1.038 30 T CB -0.032 68.840 68.868 0.007 0.000 0.962 30 T HN -0.402 7.706 8.240 0.005 0.135 0.516 31 L N 3.390 124.617 121.223 0.007 0.000 2.453 31 L HA -0.095 nan 4.340 nan 0.000 0.272 31 L C -0.229 176.647 176.870 0.009 0.000 1.182 31 L CA 1.383 56.227 54.840 0.008 0.000 0.858 31 L CB 0.406 42.469 42.059 0.007 0.000 1.120 31 L HN -0.720 7.332 8.230 0.006 0.182 0.474 32 G N 3.097 111.904 108.800 0.012 0.000 2.570 32 G HA2 -0.135 nan 3.960 nan 0.000 0.686 32 G HA3 -0.135 nan 3.960 nan 0.000 0.686 32 G C -1.807 173.101 174.900 0.014 0.000 1.257 32 G CA -0.693 44.416 45.100 0.015 0.000 0.846 32 G HN -0.450 7.847 8.290 0.012 0.000 0.627 33 P HA -0.020 nan 4.420 nan 0.000 0.236 33 P C -1.004 176.301 177.300 0.009 0.000 1.177 33 P CA 0.803 63.909 63.100 0.009 0.000 0.773 33 P CB 0.261 31.965 31.700 0.005 0.000 0.878 34 K N -1.525 118.882 120.400 0.013 0.000 3.010 34 K HA 0.255 nan 4.320 nan 0.000 0.211 34 K C -0.504 176.102 176.600 0.010 0.000 1.146 34 K CA -1.898 54.396 56.287 0.011 0.000 1.070 34 K CB -1.186 31.323 32.500 0.015 0.000 0.908 34 K HN -0.080 8.120 8.250 0.016 0.060 0.463 35 G N -0.652 108.154 108.800 0.009 0.000 2.544 35 G HA2 0.010 nan 3.960 nan 0.000 0.242 35 G HA3 0.010 nan 3.960 nan 0.000 0.242 35 G C -1.278 173.626 174.900 0.006 0.000 1.247 35 G CA -0.085 45.020 45.100 0.008 0.000 0.840 35 G HN -0.627 7.582 8.290 0.009 0.086 0.578 36 R N 1.462 121.966 120.500 0.006 0.000 2.596 36 R HA 0.133 nan 4.340 nan 0.000 0.267 36 R C -0.530 175.773 176.300 0.005 0.000 1.026 36 R CA -2.599 53.504 56.100 0.005 0.000 1.087 36 R CB 1.493 31.796 30.300 0.004 0.000 1.132 36 R HN 0.013 8.286 8.270 0.005 0.000 0.531 37 N N -1.343 117.360 118.700 0.005 0.000 2.483 37 N HA 0.126 nan 4.740 nan 0.000 0.269 37 N C -0.705 174.808 175.510 0.004 0.000 1.209 37 N CA 0.169 53.222 53.050 0.005 0.000 0.969 37 N CB 1.194 39.684 38.487 0.005 0.000 1.173 37 N HN -0.156 8.227 8.380 0.004 0.000 0.475 38 V N 2.378 122.295 119.914 0.004 0.000 2.577 38 V HA 0.241 nan 4.120 nan 0.000 0.303 38 V C -1.224 174.872 176.094 0.004 0.000 1.042 38 V CA -0.732 61.570 62.300 0.004 0.000 0.872 38 V CB 3.301 35.127 31.823 0.004 0.000 0.998 38 V HN 0.620 8.813 8.190 0.005 0.000 0.423 39 V N 6.566 126.482 119.914 0.003 0.000 2.334 39 V HA 0.453 nan 4.120 nan 0.000 0.267 39 V C -0.342 175.753 176.094 0.001 0.000 1.040 39 V CA -0.889 61.413 62.300 0.003 0.000 0.866 39 V CB -0.993 30.831 31.823 0.002 0.000 1.019 39 V HN 0.330 8.521 8.190 0.002 0.000 0.468 40 L N 9.021 130.246 121.223 0.002 0.000 2.277 40 L HA 0.331 nan 4.340 nan 0.000 0.284 40 L C -0.578 176.291 176.870 -0.001 0.000 1.028 40 L CA -1.346 53.495 54.840 0.000 0.000 0.835 40 L CB 0.540 42.600 42.059 0.003 0.000 1.215 40 L HN 0.791 9.024 8.230 0.004 0.000 0.425 41 D N 5.611 126.007 120.400 -0.006 0.000 2.364 41 D HA -0.167 nan 4.640 nan 0.000 0.236 41 D C -1.414 174.877 176.300 -0.015 0.000 1.221 41 D CA 0.990 54.983 54.000 -0.011 0.000 0.891 41 D CB 1.429 42.218 40.800 -0.019 0.000 1.190 41 D HN 0.318 8.684 8.370 -0.007 0.000 0.449 42 K N 0.014 120.402 120.400 -0.020 0.000 2.512 42 K HA 0.254 nan 4.320 nan 0.000 0.263 42 K C 0.816 177.369 176.600 -0.079 0.000 0.966 42 K CA -1.013 55.258 56.287 -0.027 0.000 0.851 42 K CB 2.672 35.180 32.500 0.013 0.000 1.395 42 K HN -0.141 8.098 8.250 -0.019 0.000 0.440 43 S N 1.467 117.079 115.700 -0.147 0.000 2.381 43 S HA -0.264 nan 4.470 nan 0.000 0.230 43 S C 0.492 174.747 174.600 -0.575 0.000 1.052 43 S CA 2.596 60.560 58.200 -0.394 0.000 1.068 43 S CB -0.168 62.730 63.200 -0.504 0.000 0.918 43 S HN 0.520 8.770 8.310 -0.100 0.000 0.448 44 F N 2.055 122.002 119.950 -0.006 0.000 2.550 44 F HA 0.152 nan 4.527 nan 0.000 0.312 44 F C -0.067 175.730 175.800 -0.004 0.000 1.256 44 F CA -0.534 57.463 58.000 -0.006 0.000 1.182 44 F CB -0.529 38.467 39.000 -0.007 0.000 1.383 44 F HN -0.639 7.673 8.300 0.020 0.000 0.541 45 G N 1.238 110.090 108.800 0.087 0.000 3.016 45 G HA2 -0.340 nan 3.960 nan 0.000 0.518 45 G HA3 -0.340 nan 3.960 nan 0.000 0.518 45 G C -1.378 173.556 174.900 0.057 0.000 1.586 45 G CA -0.214 44.922 45.100 0.060 0.000 1.051 45 G HN -0.395 7.838 8.290 0.008 0.061 0.572 46 A N 0.021 122.862 122.820 0.034 0.000 2.009 46 A HA -0.175 nan 4.320 nan 0.000 0.247 46 A C -2.306 175.293 177.584 0.024 0.000 1.355 46 A CA -0.540 51.514 52.037 0.028 0.000 0.696 46 A CB -0.516 18.503 19.000 0.033 0.000 1.175 46 A HN 0.006 8.172 8.150 0.027 0.000 0.279 47 P HA -0.069 nan 4.420 nan 0.000 0.265 47 P C -0.524 176.783 177.300 0.013 0.000 1.187 47 P CA -0.189 62.917 63.100 0.011 0.000 0.766 47 P CB 0.435 32.139 31.700 0.005 0.000 0.820 48 T N -0.230 114.331 114.554 0.013 0.000 2.728 48 T HA 0.282 nan 4.350 nan 0.000 0.296 48 T C -0.170 174.535 174.700 0.010 0.000 0.940 48 T CA -1.071 61.037 62.100 0.013 0.000 1.013 48 T CB 0.410 69.287 68.868 0.015 0.000 0.912 48 T HN 0.220 8.467 8.240 0.011 0.000 0.484 49 I N 7.755 128.330 120.570 0.009 0.000 2.308 49 I HA 0.306 nan 4.170 nan 0.000 0.293 49 I C -0.191 175.930 176.117 0.008 0.000 1.078 49 I CA -0.011 61.293 61.300 0.007 0.000 1.292 49 I CB -0.774 37.230 38.000 0.007 0.000 1.423 49 I HN 0.403 8.619 8.210 0.010 0.000 0.493 50 T N 6.497 121.055 114.554 0.008 0.000 2.807 50 T HA 0.565 nan 4.350 nan 0.000 0.277 50 T C -1.161 173.544 174.700 0.007 0.000 1.006 50 T CA -1.911 60.194 62.100 0.008 0.000 1.006 50 T CB 3.142 72.016 68.868 0.009 0.000 1.274 50 T HN 0.838 9.082 8.240 0.007 0.000 0.569 51 K N -2.257 118.148 120.400 0.008 0.000 2.817 51 K HA 0.171 nan 4.320 nan 0.000 0.183 51 K C -2.201 174.403 176.600 0.008 0.000 1.145 51 K CA 0.021 56.313 56.287 0.007 0.000 1.114 51 K CB 1.327 33.832 32.500 0.007 0.000 0.767 51 K HN 0.209 8.464 8.250 0.008 0.000 0.453 52 D N -0.258 120.147 120.400 0.008 0.000 2.414 52 D HA 0.151 nan 4.640 nan 0.000 0.232 52 D C 0.876 177.181 176.300 0.007 0.000 1.070 52 D CA -1.532 52.473 54.000 0.009 0.000 0.839 52 D CB 1.013 41.819 40.800 0.010 0.000 1.079 52 D HN -0.800 7.575 8.370 0.008 0.000 0.521 53 G N 5.099 113.903 108.800 0.007 0.000 2.574 53 G HA2 -0.458 nan 3.960 nan 0.000 0.220 53 G HA3 -0.458 nan 3.960 nan 0.000 0.220 53 G C 0.908 175.811 174.900 0.004 0.000 1.173 53 G CA 2.375 47.478 45.100 0.006 0.000 0.772 53 G HN 0.580 8.875 8.290 0.008 0.000 0.585 54 V N 0.410 120.326 119.914 0.003 0.000 2.223 54 V HA -0.437 nan 4.120 nan 0.000 0.244 54 V C 1.893 177.988 176.094 0.003 0.000 1.045 54 V CA 4.068 66.368 62.300 0.000 0.000 1.000 54 V CB -0.337 31.485 31.823 -0.002 0.000 0.635 54 V HN -0.616 7.752 8.190 0.004 -0.176 0.445 55 S N -0.753 114.951 115.700 0.006 0.000 2.399 55 S HA -0.500 nan 4.470 nan 0.000 0.235 55 S C 1.988 176.592 174.600 0.006 0.000 1.063 55 S CA 3.731 61.935 58.200 0.008 0.000 1.070 55 S CB -0.416 62.790 63.200 0.010 0.000 0.904 55 S HN -0.332 7.981 8.310 0.006 0.000 0.456 56 V N -0.509 119.408 119.914 0.005 0.000 2.307 56 V HA -0.314 nan 4.120 nan 0.000 0.245 56 V C 2.183 178.279 176.094 0.002 0.000 1.045 56 V CA 4.000 66.303 62.300 0.004 0.000 1.024 56 V CB -0.951 30.875 31.823 0.004 0.000 0.651 56 V HN -0.449 7.731 8.190 0.005 0.012 0.449 57 A N -0.101 122.720 122.820 0.002 0.000 1.972 57 A HA -0.280 nan 4.320 nan 0.000 0.219 57 A C 1.806 179.390 177.584 -0.000 0.000 1.169 57 A CA 2.929 54.966 52.037 0.000 0.000 0.635 57 A CB -0.796 18.203 19.000 -0.001 0.000 0.810 57 A HN -0.293 7.859 8.150 0.002 0.000 0.446 58 R N -2.039 118.462 120.500 0.001 0.000 2.159 58 R HA -0.308 nan 4.340 nan 0.000 0.237 58 R C 1.638 177.940 176.300 0.003 0.000 1.131 58 R CA 2.808 58.910 56.100 0.004 0.000 0.982 58 R CB 0.157 30.462 30.300 0.008 0.000 0.868 58 R HN -0.098 8.151 8.270 0.002 0.022 0.453 59 E N -2.660 117.541 120.200 0.002 0.000 2.405 59 E HA 0.020 nan 4.350 nan 0.000 0.214 59 E C -0.641 175.957 176.600 -0.003 0.000 1.101 59 E CA -0.882 55.518 56.400 -0.001 0.000 1.254 59 E CB -0.603 29.096 29.700 -0.001 0.000 1.240 59 E HN -0.570 7.653 8.360 0.002 0.138 0.439 60 I N 0.737 121.305 120.570 -0.003 0.000 2.466 60 I HA 0.116 nan 4.170 nan 0.000 0.279 60 I C -2.115 173.998 176.117 -0.006 0.000 1.033 60 I CA -0.483 60.814 61.300 -0.004 0.000 1.123 60 I CB 1.305 39.303 38.000 -0.002 0.000 1.237 60 I HN -0.252 7.878 8.210 -0.003 0.079 0.460 61 E N 7.519 127.714 120.200 -0.008 0.000 2.246 61 E HA 0.224 nan 4.350 nan 0.000 0.266 61 E C -1.823 174.771 176.600 -0.011 0.000 0.880 61 E CA -0.883 55.510 56.400 -0.012 0.000 0.762 61 E CB 2.705 32.395 29.700 -0.016 0.000 1.180 61 E HN 0.146 8.501 8.360 -0.008 0.000 0.416 62 L N 4.726 125.943 121.223 -0.009 0.000 2.387 62 L HA 0.222 nan 4.340 nan 0.000 0.266 62 L C 0.383 177.247 176.870 -0.010 0.000 1.059 62 L CA -0.680 54.157 54.840 -0.005 0.000 0.801 62 L CB 1.045 43.106 42.059 0.004 0.000 1.223 62 L HN 0.096 8.319 8.230 -0.011 0.000 0.456 63 E N 1.060 121.257 120.200 -0.006 0.000 2.150 63 E HA -0.278 nan 4.350 nan 0.000 0.193 63 E C 0.029 176.624 176.600 -0.008 0.000 0.985 63 E CA 2.164 58.559 56.400 -0.008 0.000 0.814 63 E CB 0.377 30.076 29.700 -0.003 0.000 0.752 63 E HN 0.437 8.797 8.360 -0.001 0.000 0.466 64 D N -1.048 119.356 120.400 0.006 0.000 2.304 64 D HA 0.031 nan 4.640 nan 0.000 0.250 64 D C 1.160 177.450 176.300 -0.018 0.000 1.107 64 D CA -0.282 53.730 54.000 0.020 0.000 0.885 64 D CB 1.570 42.409 40.800 0.066 0.000 1.192 64 D HN -0.153 8.208 8.370 0.012 0.017 0.436 65 K N 4.710 125.055 120.400 -0.091 0.000 1.985 65 K HA -0.252 nan 4.320 nan 0.000 0.210 65 K C 2.488 178.955 176.600 -0.222 0.000 1.047 65 K CA 3.225 59.378 56.287 -0.224 0.000 0.932 65 K CB 0.000 32.245 32.500 -0.425 0.000 0.716 65 K HN 0.329 8.537 8.250 -0.069 0.000 0.439 66 F N -3.037 116.897 119.950 -0.027 0.000 2.120 66 F HA -0.389 nan 4.527 nan 0.000 0.300 66 F C 2.218 178.004 175.800 -0.023 0.000 1.095 66 F CA 3.949 61.931 58.000 -0.030 0.000 1.249 66 F CB -0.652 38.329 39.000 -0.032 0.000 0.995 66 F HN -0.404 7.941 8.300 -0.187 -0.157 0.480 67 E N -1.867 118.422 120.200 0.149 0.000 2.072 67 E HA -0.418 nan 4.350 nan 0.000 0.190 67 E C 2.215 178.837 176.600 0.037 0.000 0.982 67 E CA 2.620 59.068 56.400 0.080 0.000 0.803 67 E CB -0.477 29.260 29.700 0.061 0.000 0.755 67 E HN -0.421 8.187 8.360 0.161 -0.151 0.453 68 N N 0.229 118.935 118.700 0.009 0.000 2.104 68 N HA -0.342 nan 4.740 nan 0.000 0.190 68 N C 2.056 177.559 175.510 -0.013 0.000 1.024 68 N CA 3.159 56.202 53.050 -0.013 0.000 0.853 68 N CB 0.301 38.766 38.487 -0.037 0.000 1.008 68 N HN -0.208 8.109 8.380 0.006 0.067 0.424 69 M N -0.783 118.806 119.600 -0.019 0.000 2.084 69 M HA -0.430 nan 4.480 nan 0.000 0.259 69 M C 2.022 178.330 176.300 0.012 0.000 1.072 69 M CA 4.108 59.400 55.300 -0.012 0.000 1.107 69 M CB -0.049 32.545 32.600 -0.010 0.000 1.299 69 M HN 0.423 8.624 8.290 -0.030 0.070 0.413 70 G N -4.066 104.755 108.800 0.036 0.000 2.499 70 G HA2 -0.344 nan 3.960 nan 0.000 0.221 70 G HA3 -0.344 nan 3.960 nan 0.000 0.221 70 G C 0.489 175.402 174.900 0.022 0.000 1.109 70 G CA 2.090 47.211 45.100 0.035 0.000 0.749 70 G HN -0.032 8.291 8.290 0.056 0.000 0.568 71 A N 0.430 123.260 122.820 0.015 0.000 1.942 71 A HA 0.193 nan 4.320 nan 0.000 0.209 71 A C 1.984 179.570 177.584 0.003 0.000 1.214 71 A CA 1.562 53.604 52.037 0.009 0.000 0.686 71 A CB -0.110 18.894 19.000 0.007 0.000 0.871 71 A HN -0.400 7.590 8.150 0.015 0.169 0.460 72 Q N -1.379 118.420 119.800 -0.002 0.000 2.364 72 Q HA -0.298 nan 4.340 nan 0.000 0.209 72 Q C 2.496 178.492 176.000 -0.006 0.000 0.977 72 Q CA 2.221 58.019 55.803 -0.008 0.000 0.885 72 Q CB -0.577 28.151 28.738 -0.016 0.000 0.941 72 Q HN 0.252 8.520 8.270 -0.003 0.000 0.464 73 M N -0.622 118.979 119.600 0.000 0.000 2.115 73 M HA -0.246 nan 4.480 nan 0.000 0.261 73 M C 1.547 177.851 176.300 0.006 0.000 1.079 73 M CA 4.337 59.640 55.300 0.005 0.000 1.143 73 M CB 0.103 32.711 32.600 0.012 0.000 1.332 73 M HN -0.422 7.817 8.290 0.004 0.053 0.421 74 V N -1.385 118.535 119.914 0.010 0.000 2.688 74 V HA -0.449 nan 4.120 nan 0.000 0.256 74 V C 2.343 178.437 176.094 -0.000 0.000 1.084 74 V CA 3.813 66.120 62.300 0.012 0.000 1.103 74 V CB -1.586 30.246 31.823 0.015 0.000 0.688 74 V HN -0.061 8.136 8.190 0.011 0.000 0.480 75 K N -2.168 118.228 120.400 -0.007 0.000 2.137 75 K HA -0.168 nan 4.320 nan 0.000 0.202 75 K C 1.486 178.067 176.600 -0.032 0.000 1.052 75 K CA 2.879 59.156 56.287 -0.017 0.000 0.961 75 K CB -0.243 32.249 32.500 -0.013 0.000 0.741 75 K HN -0.417 7.694 8.250 -0.004 0.136 0.452 76 E N -1.002 119.180 120.200 -0.030 0.000 2.158 76 E HA -0.103 nan 4.350 nan 0.000 0.191 76 E C 1.734 178.287 176.600 -0.077 0.000 0.982 76 E CA 2.538 58.912 56.400 -0.045 0.000 0.823 76 E CB 0.908 30.590 29.700 -0.030 0.000 0.766 76 E HN -0.626 7.722 8.360 -0.020 0.000 0.468 77 V N -0.992 118.886 119.914 -0.061 0.000 2.302 77 V HA -0.214 nan 4.120 nan 0.000 0.243 77 V C 2.253 178.232 176.094 -0.193 0.000 1.036 77 V CA 3.973 66.219 62.300 -0.090 0.000 1.020 77 V CB -0.319 31.523 31.823 0.032 0.000 0.657 77 V HN -0.450 7.722 8.190 -0.030 0.000 0.453 78 A N -1.536 121.233 122.820 -0.084 0.000 2.178 78 A HA -0.288 nan 4.320 nan 0.000 0.218 78 A C 1.325 178.826 177.584 -0.138 0.000 1.157 78 A CA 2.831 54.824 52.037 -0.074 0.000 0.689 78 A CB -1.011 17.982 19.000 -0.013 0.000 0.787 78 A HN -0.480 7.648 8.150 -0.036 0.000 0.465 79 S N -3.321 112.282 115.700 -0.161 0.000 2.387 79 S HA -0.266 nan 4.470 nan 0.000 0.226 79 S C 1.766 176.235 174.600 -0.218 0.000 1.026 79 S CA 2.935 61.050 58.200 -0.143 0.000 0.972 79 S CB -0.240 62.898 63.200 -0.104 0.000 0.814 79 S HN -0.369 7.674 8.310 -0.148 0.178 0.477 80 K N 0.667 120.827 120.400 -0.399 0.000 2.515 80 K HA -0.180 nan 4.320 nan 0.000 0.196 80 K C 1.473 177.707 176.600 -0.611 0.000 1.038 80 K CA 1.683 57.625 56.287 -0.575 0.000 0.967 80 K CB -0.467 31.517 32.500 -0.859 0.000 0.780 80 K HN -0.279 7.581 8.250 -0.415 0.141 0.483 81 A N -0.156 122.408 122.820 -0.428 0.000 1.823 81 A HA -0.226 nan 4.320 nan 0.000 0.214 81 A C 1.127 178.700 177.584 -0.017 0.000 1.225 81 A CA 2.752 54.754 52.037 -0.058 0.000 0.604 81 A CB -0.492 18.525 19.000 0.029 0.000 0.878 81 A HN -0.616 7.105 8.150 -0.394 0.193 0.450 82 N N -0.542 118.133 118.700 -0.041 0.000 2.037 82 N HA -0.460 nan 4.740 nan 0.000 0.196 82 N C 2.563 178.044 175.510 -0.048 0.000 1.034 82 N CA 3.133 56.163 53.050 -0.034 0.000 0.861 82 N CB -0.226 38.235 38.487 -0.043 0.000 1.039 82 N HN -0.122 8.223 8.380 -0.058 0.000 0.427 83 D N 0.066 120.422 120.400 -0.074 0.000 2.191 83 D HA -0.286 nan 4.640 nan 0.000 0.195 83 D C 0.763 177.038 176.300 -0.042 0.000 1.003 83 D CA 2.985 56.942 54.000 -0.073 0.000 0.867 83 D CB -0.203 40.543 40.800 -0.090 0.000 0.926 83 D HN -0.327 7.986 8.370 -0.094 0.000 0.450 84 A N -3.316 119.501 122.820 -0.004 0.000 1.993 84 A HA 0.126 nan 4.320 nan 0.000 0.207 84 A C 0.281 177.892 177.584 0.045 0.000 1.224 84 A CA 1.592 53.654 52.037 0.041 0.000 0.749 84 A CB 0.843 19.912 19.000 0.116 0.000 0.884 84 A HN -0.429 7.596 8.150 -0.011 0.119 0.467 85 A N -4.601 118.251 122.820 0.053 0.000 2.014 85 A HA 0.115 nan 4.320 nan 0.000 0.210 85 A C 0.544 178.144 177.584 0.027 0.000 1.188 85 A CA 0.946 53.013 52.037 0.050 0.000 0.731 85 A CB 0.916 19.959 19.000 0.072 0.000 0.858 85 A HN 0.324 8.508 8.150 0.056 0.000 0.464 86 G N -3.140 105.663 108.800 0.005 0.000 2.339 86 G HA2 -0.264 nan 3.960 nan 0.000 0.209 86 G HA3 -0.264 nan 3.960 nan 0.000 0.209 86 G C -1.677 173.223 174.900 0.000 0.000 1.015 86 G CA 0.275 45.367 45.100 -0.014 0.000 0.635 86 G HN 0.169 8.346 8.290 0.004 0.115 0.499 87 D N -0.768 119.643 120.400 0.018 0.000 2.714 87 D HA 0.277 nan 4.640 nan 0.000 0.278 87 D C -0.590 175.728 176.300 0.030 0.000 1.102 87 D CA -1.861 52.152 54.000 0.021 0.000 1.108 87 D CB 2.025 42.842 40.800 0.029 0.000 1.444 87 D HN -0.630 7.668 8.370 0.028 0.089 0.568 88 G N -2.482 106.336 108.800 0.030 0.000 2.253 88 G HA2 -0.328 nan 3.960 nan 0.000 0.209 88 G HA3 -0.328 nan 3.960 nan 0.000 0.209 88 G C 0.815 175.736 174.900 0.034 0.000 0.997 88 G CA 0.696 45.822 45.100 0.044 0.000 0.640 88 G HN 0.380 8.685 8.290 0.025 0.000 0.496 89 T N 4.032 118.593 114.554 0.012 0.000 2.622 89 T HA -0.373 nan 4.350 nan 0.000 0.266 89 T C 1.687 176.393 174.700 0.010 0.000 1.047 89 T CA 5.315 67.415 62.100 -0.001 0.000 1.159 89 T CB -0.555 68.305 68.868 -0.015 0.000 0.863 89 T HN 0.448 8.693 8.240 0.008 0.000 0.422 90 T N 1.711 116.271 114.554 0.011 0.000 2.684 90 T HA -0.312 nan 4.350 nan 0.000 0.267 90 T C 1.946 176.656 174.700 0.017 0.000 1.036 90 T CA 4.676 66.784 62.100 0.012 0.000 1.148 90 T CB -0.813 68.061 68.868 0.011 0.000 0.863 90 T HN 0.464 8.710 8.240 0.010 0.000 0.436 91 T N 3.527 118.094 114.554 0.022 0.000 2.746 91 T HA -0.242 nan 4.350 nan 0.000 0.267 91 T C 1.411 176.131 174.700 0.033 0.000 1.039 91 T CA 4.588 66.704 62.100 0.026 0.000 1.142 91 T CB -0.856 68.030 68.868 0.030 0.000 0.866 91 T HN -0.128 8.126 8.240 0.022 0.000 0.444 92 A N 0.828 123.674 122.820 0.043 0.000 1.972 92 A HA -0.227 nan 4.320 nan 0.000 0.219 92 A C 2.020 179.630 177.584 0.043 0.000 1.169 92 A CA 3.168 55.241 52.037 0.059 0.000 0.635 92 A CB -0.839 18.208 19.000 0.079 0.000 0.810 92 A HN 0.483 8.455 8.150 0.040 0.202 0.446 93 T N 1.591 116.162 114.554 0.028 0.000 2.942 93 T HA -0.169 nan 4.350 nan 0.000 0.265 93 T C 2.244 176.956 174.700 0.019 0.000 1.062 93 T CA 4.259 66.371 62.100 0.020 0.000 1.139 93 T CB -0.263 68.612 68.868 0.013 0.000 0.883 93 T HN -0.146 7.987 8.240 0.024 0.121 0.468 94 V N 2.741 122.666 119.914 0.018 0.000 2.379 94 V HA -0.273 nan 4.120 nan 0.000 0.245 94 V C 1.635 177.738 176.094 0.016 0.000 1.044 94 V CA 4.387 66.696 62.300 0.014 0.000 1.036 94 V CB -0.886 30.944 31.823 0.012 0.000 0.664 94 V HN 0.015 8.125 8.190 0.020 0.092 0.453 95 L N -1.861 119.375 121.223 0.021 0.000 2.072 95 L HA -0.336 nan 4.340 nan 0.000 0.205 95 L C 1.836 178.721 176.870 0.024 0.000 1.079 95 L CA 3.328 58.181 54.840 0.022 0.000 0.752 95 L CB -0.821 41.253 42.059 0.026 0.000 0.906 95 L HN 0.416 8.660 8.230 0.025 0.000 0.436 96 A N -1.788 121.050 122.820 0.030 0.000 1.933 96 A HA -0.398 nan 4.320 nan 0.000 0.218 96 A C 1.796 179.394 177.584 0.023 0.000 1.175 96 A CA 3.236 55.292 52.037 0.031 0.000 0.628 96 A CB -1.028 17.994 19.000 0.037 0.000 0.814 96 A HN 0.070 8.129 8.150 0.034 0.112 0.444 97 Q N -0.749 119.063 119.800 0.019 0.000 2.079 97 Q HA -0.301 nan 4.340 nan 0.000 0.200 97 Q C 2.058 178.065 176.000 0.012 0.000 0.974 97 Q CA 2.988 58.800 55.803 0.015 0.000 0.840 97 Q CB -0.154 28.591 28.738 0.012 0.000 0.898 97 Q HN -0.372 7.825 8.270 0.020 0.085 0.430 98 A N 0.058 122.885 122.820 0.012 0.000 1.877 98 A HA -0.255 nan 4.320 nan 0.000 0.216 98 A C 2.187 179.777 177.584 0.009 0.000 1.186 98 A CA 3.042 55.084 52.037 0.009 0.000 0.620 98 A CB -0.798 18.206 19.000 0.008 0.000 0.822 98 A HN -0.281 7.793 8.150 0.013 0.084 0.443 99 I N -1.504 119.073 120.570 0.012 0.000 2.202 99 I HA -0.565 nan 4.170 nan 0.000 0.242 99 I C 2.027 178.151 176.117 0.012 0.000 1.091 99 I CA 4.257 65.564 61.300 0.012 0.000 1.368 99 I CB 0.032 38.041 38.000 0.014 0.000 1.058 99 I HN -0.164 8.055 8.210 0.014 0.000 0.410 100 I N -0.644 119.935 120.570 0.015 0.000 2.208 100 I HA -0.635 nan 4.170 nan 0.000 0.245 100 I C 2.031 178.155 176.117 0.011 0.000 1.097 100 I CA 4.743 66.052 61.300 0.015 0.000 1.363 100 I CB -0.501 37.509 38.000 0.017 0.000 1.051 100 I HN -0.155 8.065 8.210 0.017 0.000 0.413 101 T N 2.257 116.817 114.554 0.010 0.000 2.643 101 T HA -0.342 nan 4.350 nan 0.000 0.264 101 T C 2.364 177.067 174.700 0.006 0.000 1.045 101 T CA 4.948 67.053 62.100 0.008 0.000 1.155 101 T CB -0.537 68.335 68.868 0.007 0.000 0.863 101 T HN -0.161 8.086 8.240 0.011 0.000 0.420 102 E N -0.583 119.620 120.200 0.006 0.000 2.358 102 E HA -0.076 nan 4.350 nan 0.000 0.195 102 E C 2.554 179.157 176.600 0.006 0.000 1.010 102 E CA 1.569 57.972 56.400 0.005 0.000 0.856 102 E CB -0.568 29.134 29.700 0.004 0.000 0.795 102 E HN -0.528 7.836 8.360 0.006 0.000 0.504 103 G N 0.022 108.826 108.800 0.007 0.000 2.396 103 G HA2 -0.154 nan 3.960 nan 0.000 0.214 103 G HA3 -0.154 nan 3.960 nan 0.000 0.214 103 G C 1.009 175.914 174.900 0.008 0.000 1.166 103 G CA 1.650 46.755 45.100 0.008 0.000 0.793 103 G HN 0.306 8.474 8.290 0.008 0.126 0.533 104 L N 0.499 121.728 121.223 0.009 0.000 2.141 104 L HA -0.369 nan 4.340 nan 0.000 0.209 104 L C 1.931 178.805 176.870 0.006 0.000 1.094 104 L CA 2.507 57.352 54.840 0.008 0.000 0.763 104 L CB -0.310 41.754 42.059 0.008 0.000 0.908 104 L HN 0.219 8.344 8.230 0.009 0.110 0.437 105 K N -1.647 118.756 120.400 0.005 0.000 2.152 105 K HA -0.363 nan 4.320 nan 0.000 0.206 105 K C 2.197 178.799 176.600 0.003 0.000 1.048 105 K CA 3.200 59.489 56.287 0.004 0.000 0.933 105 K CB -0.390 32.112 32.500 0.003 0.000 0.721 105 K HN -0.596 7.640 8.250 0.005 0.017 0.447 106 A N -1.014 121.809 122.820 0.004 0.000 1.872 106 A HA -0.082 nan 4.320 nan 0.000 0.214 106 A C 2.103 179.690 177.584 0.005 0.000 1.187 106 A CA 2.660 54.700 52.037 0.004 0.000 0.614 106 A CB -0.622 18.380 19.000 0.004 0.000 0.826 106 A HN -0.714 7.418 8.150 0.005 0.021 0.442 107 V N -0.755 119.163 119.914 0.006 0.000 2.278 107 V HA -0.482 nan 4.120 nan 0.000 0.251 107 V C 2.599 178.697 176.094 0.006 0.000 1.062 107 V CA 3.884 66.188 62.300 0.007 0.000 1.038 107 V CB -1.287 30.542 31.823 0.010 0.000 0.646 107 V HN -0.568 7.626 8.190 0.007 0.000 0.447 108 A N -1.180 121.643 122.820 0.005 0.000 2.015 108 A HA -0.171 nan 4.320 nan 0.000 0.219 108 A C 0.707 178.292 177.584 0.002 0.000 1.163 108 A CA 2.665 54.703 52.037 0.003 0.000 0.646 108 A CB -0.643 18.358 19.000 0.002 0.000 0.806 108 A HN -0.159 7.990 8.150 0.005 0.004 0.448 109 A N -3.420 119.401 122.820 0.002 0.000 2.238 109 A HA 0.009 nan 4.320 nan 0.000 0.208 109 A C 0.112 177.697 177.584 0.001 0.000 1.177 109 A CA 0.082 52.120 52.037 0.001 0.000 0.804 109 A CB 0.266 19.266 19.000 0.001 0.000 0.823 109 A HN -0.193 7.801 8.150 0.003 0.158 0.482 110 G N -2.979 105.822 108.800 0.002 0.000 2.238 110 G HA2 -0.352 nan 3.960 nan 0.000 0.217 110 G HA3 -0.352 nan 3.960 nan 0.000 0.217 110 G C -0.013 174.889 174.900 0.003 0.000 0.996 110 G CA -0.258 44.843 45.100 0.002 0.000 0.632 110 G HN -0.287 7.811 8.290 0.003 0.194 0.503 111 M N 1.057 120.659 119.600 0.003 0.000 2.251 111 M HA -0.285 nan 4.480 nan 0.000 0.343 111 M C 0.007 176.310 176.300 0.005 0.000 1.245 111 M CA 0.892 56.194 55.300 0.004 0.000 1.061 111 M CB 0.335 32.938 32.600 0.004 0.000 1.723 111 M HN -0.651 7.641 8.290 0.003 0.000 0.449 112 N N 5.284 123.987 118.700 0.005 0.000 2.374 112 N HA -0.034 nan 4.740 nan 0.000 0.269 112 N C -0.913 174.601 175.510 0.008 0.000 1.310 112 N CA -0.263 52.791 53.050 0.006 0.000 0.877 112 N CB 0.433 38.923 38.487 0.005 0.000 1.096 112 N HN 0.104 8.862 8.380 0.004 -0.375 0.484 113 P HA -0.164 nan 4.420 nan 0.000 0.217 113 P C 1.210 178.516 177.300 0.011 0.000 1.150 113 P CA 2.461 65.568 63.100 0.011 0.000 0.832 113 P CB 0.330 32.039 31.700 0.015 0.000 0.787 114 M N -3.765 115.842 119.600 0.011 0.000 2.159 114 M HA -0.259 nan 4.480 nan 0.000 0.263 114 M C 2.320 178.624 176.300 0.008 0.000 1.063 114 M CA 1.556 56.862 55.300 0.010 0.000 1.110 114 M CB -1.619 30.986 32.600 0.009 0.000 1.374 114 M HN -0.288 8.140 8.290 0.010 -0.132 0.411 115 D N 0.506 120.910 120.400 0.007 0.000 2.194 115 D HA -0.078 nan 4.640 nan 0.000 0.204 115 D C 2.688 178.991 176.300 0.005 0.000 0.964 115 D CA 3.001 57.004 54.000 0.005 0.000 0.846 115 D CB -0.149 40.654 40.800 0.005 0.000 0.962 115 D HN -0.455 8.107 8.370 0.007 -0.188 0.490 116 L N -0.331 120.896 121.223 0.006 0.000 2.046 116 L HA -0.382 nan 4.340 nan 0.000 0.208 116 L C 1.734 178.608 176.870 0.006 0.000 1.077 116 L CA 3.240 58.083 54.840 0.006 0.000 0.747 116 L CB -0.128 41.935 42.059 0.007 0.000 0.896 116 L HN 0.385 8.437 8.230 0.007 0.181 0.432 117 K N -1.155 119.250 120.400 0.007 0.000 2.103 117 K HA -0.335 nan 4.320 nan 0.000 0.204 117 K C 2.204 178.808 176.600 0.005 0.000 1.052 117 K CA 3.199 59.491 56.287 0.007 0.000 0.945 117 K CB -0.259 32.246 32.500 0.010 0.000 0.722 117 K HN -0.051 8.202 8.250 0.008 0.002 0.443 118 R N -1.198 119.305 120.500 0.005 0.000 2.081 118 R HA -0.294 nan 4.340 nan 0.000 0.235 118 R C 2.587 178.888 176.300 0.002 0.000 1.131 118 R CA 3.293 59.395 56.100 0.003 0.000 0.960 118 R CB -0.090 30.212 30.300 0.004 0.000 0.856 118 R HN -0.268 7.921 8.270 0.006 0.085 0.436 119 G N -1.674 107.127 108.800 0.002 0.000 2.394 119 G HA2 -0.188 nan 3.960 nan 0.000 0.215 119 G HA3 -0.188 nan 3.960 nan 0.000 0.215 119 G C 0.953 175.853 174.900 0.001 0.000 1.165 119 G CA 1.576 46.677 45.100 0.002 0.000 0.784 119 G HN -0.232 8.060 8.290 0.003 0.000 0.535 120 I N 1.193 121.764 120.570 0.002 0.000 2.399 120 I HA -0.517 nan 4.170 nan 0.000 0.254 120 I C 0.797 176.913 176.117 -0.002 0.000 1.146 120 I CA 3.328 64.629 61.300 0.002 0.000 1.412 120 I CB -0.179 37.824 38.000 0.004 0.000 1.076 120 I HN -0.035 8.177 8.210 0.003 0.000 0.432 121 D N -2.598 117.800 120.400 -0.002 0.000 2.249 121 D HA 0.009 nan 4.640 nan 0.000 0.205 121 D C 1.763 178.059 176.300 -0.008 0.000 0.962 121 D CA 2.544 56.540 54.000 -0.006 0.000 0.860 121 D CB -0.383 40.414 40.800 -0.005 0.000 0.955 121 D HN -0.057 8.101 8.370 -0.000 0.212 0.505 122 K N 0.249 120.646 120.400 -0.005 0.000 2.031 122 K HA -0.143 nan 4.320 nan 0.000 0.205 122 K C 1.746 178.343 176.600 -0.005 0.000 1.049 122 K CA 2.447 58.731 56.287 -0.005 0.000 0.939 122 K CB 0.027 32.526 32.500 -0.002 0.000 0.717 122 K HN -0.640 7.487 8.250 -0.003 0.121 0.438 123 A N -1.859 120.959 122.820 -0.004 0.000 2.131 123 A HA -0.186 nan 4.320 nan 0.000 0.220 123 A C 2.432 180.013 177.584 -0.006 0.000 1.158 123 A CA 2.921 54.956 52.037 -0.003 0.000 0.665 123 A CB -0.804 18.195 19.000 -0.002 0.000 0.795 123 A HN -0.297 7.851 8.150 -0.003 0.000 0.460 124 V N -1.814 118.094 119.914 -0.010 0.000 2.273 124 V HA -0.378 nan 4.120 nan 0.000 0.242 124 V C 2.015 178.098 176.094 -0.018 0.000 1.035 124 V CA 4.608 66.898 62.300 -0.016 0.000 1.013 124 V CB -0.733 31.075 31.823 -0.024 0.000 0.652 124 V HN -0.216 7.924 8.190 -0.010 0.045 0.452 125 T N 2.254 116.798 114.554 -0.017 0.000 2.760 125 T HA -0.384 nan 4.350 nan 0.000 0.269 125 T C 1.940 176.633 174.700 -0.011 0.000 1.047 125 T CA 4.391 66.481 62.100 -0.016 0.000 1.139 125 T CB -0.546 68.315 68.868 -0.012 0.000 0.855 125 T HN -0.515 7.715 8.240 -0.017 0.000 0.471 126 V N 0.344 120.253 119.914 -0.008 0.000 2.302 126 V HA -0.276 nan 4.120 nan 0.000 0.243 126 V C 1.412 177.504 176.094 -0.004 0.000 1.036 126 V CA 3.895 66.193 62.300 -0.004 0.000 1.020 126 V CB -1.027 30.795 31.823 -0.002 0.000 0.657 126 V HN -0.370 7.793 8.190 -0.008 0.023 0.453 127 A N -0.307 122.511 122.820 -0.005 0.000 1.903 127 A HA -0.425 nan 4.320 nan 0.000 0.219 127 A C 1.880 179.462 177.584 -0.005 0.000 1.191 127 A CA 3.487 55.522 52.037 -0.003 0.000 0.638 127 A CB -1.014 17.983 19.000 -0.005 0.000 0.823 127 A HN -0.294 7.745 8.150 -0.006 0.107 0.451 128 V N -2.107 117.800 119.914 -0.010 0.000 2.332 128 V HA -0.536 nan 4.120 nan 0.000 0.248 128 V C 2.146 178.237 176.094 -0.005 0.000 1.055 128 V CA 4.879 67.172 62.300 -0.011 0.000 1.038 128 V CB -0.904 30.906 31.823 -0.021 0.000 0.651 128 V HN 0.366 8.546 8.190 -0.014 0.002 0.450 129 E N -1.733 118.464 120.200 -0.004 0.000 2.085 129 E HA -0.427 nan 4.350 nan 0.000 0.194 129 E C 2.666 179.268 176.600 0.002 0.000 0.994 129 E CA 3.085 59.484 56.400 -0.001 0.000 0.801 129 E CB -0.535 29.164 29.700 -0.000 0.000 0.743 129 E HN -0.412 7.859 8.360 -0.006 0.086 0.453 130 E N -1.220 118.982 120.200 0.003 0.000 2.015 130 E HA -0.199 nan 4.350 nan 0.000 0.191 130 E C 2.798 179.403 176.600 0.008 0.000 0.991 130 E CA 2.662 59.065 56.400 0.006 0.000 0.802 130 E CB 0.069 29.773 29.700 0.007 0.000 0.759 130 E HN -0.259 8.002 8.360 0.001 0.100 0.447 131 L N -4.514 116.713 121.223 0.007 0.000 2.353 131 L HA -0.206 nan 4.340 nan 0.000 0.220 131 L C 2.090 178.966 176.870 0.010 0.000 1.133 131 L CA 2.965 57.811 54.840 0.010 0.000 0.798 131 L CB -0.914 41.150 42.059 0.009 0.000 0.922 131 L HN 0.206 8.438 8.230 0.005 0.000 0.445 132 K N -1.634 118.770 120.400 0.007 0.000 2.305 132 K HA -0.155 nan 4.320 nan 0.000 0.199 132 K C 1.094 177.700 176.600 0.009 0.000 1.047 132 K CA 1.376 57.667 56.287 0.008 0.000 0.976 132 K CB -0.869 31.634 32.500 0.005 0.000 0.765 132 K HN -0.360 7.845 8.250 0.005 0.048 0.474 133 A N -1.214 121.612 122.820 0.010 0.000 1.975 133 A HA -0.062 nan 4.320 nan 0.000 0.215 133 A C 1.336 178.928 177.584 0.014 0.000 1.170 133 A CA 1.762 53.805 52.037 0.011 0.000 0.656 133 A CB 0.020 19.026 19.000 0.011 0.000 0.821 133 A HN -0.247 7.744 8.150 0.009 0.164 0.449 134 L N -2.703 118.529 121.223 0.016 0.000 2.376 134 L HA -0.079 nan 4.340 nan 0.000 0.219 134 L C 0.034 176.916 176.870 0.020 0.000 1.133 134 L CA 0.713 55.565 54.840 0.020 0.000 0.816 134 L CB 0.396 42.468 42.059 0.022 0.000 0.933 134 L HN -0.418 7.734 8.230 0.014 0.087 0.449 135 S N -2.227 113.484 115.700 0.017 0.000 2.572 135 S HA -0.073 nan 4.470 nan 0.000 0.279 135 S C -0.951 173.659 174.600 0.016 0.000 1.341 135 S CA 0.142 58.352 58.200 0.017 0.000 1.043 135 S CB 0.738 63.947 63.200 0.015 0.000 0.887 135 S HN -0.676 7.485 8.310 0.015 0.159 0.516 136 V N 6.993 126.917 119.914 0.017 0.000 2.347 136 V HA 0.389 nan 4.120 nan 0.000 0.280 136 V C -1.090 175.013 176.094 0.014 0.000 1.021 136 V CA -3.659 58.650 62.300 0.016 0.000 0.847 136 V CB 0.616 32.449 31.823 0.017 0.000 0.990 136 V HN -0.048 8.153 8.190 0.017 0.000 0.444 137 P HA 0.038 nan 4.420 nan 0.000 0.273 137 P C -1.539 175.767 177.300 0.011 0.000 1.258 137 P CA 0.074 63.180 63.100 0.011 0.000 0.802 137 P CB 0.735 32.441 31.700 0.010 0.000 1.040 138 C N -1.424 117.882 119.300 0.010 0.000 3.384 138 C HA 0.278 nan 4.460 nan 0.000 0.294 138 C C 0.437 175.432 174.990 0.008 0.000 1.062 138 C CA -1.372 57.652 59.018 0.009 0.000 1.325 138 C CB -0.466 27.280 27.740 0.010 0.000 1.793 138 C HN 0.243 8.479 8.230 0.010 0.000 0.563 139 S N 6.193 121.897 115.700 0.007 0.000 2.583 139 S HA 0.073 nan 4.470 nan 0.000 0.203 139 S C -0.554 174.048 174.600 0.004 0.000 0.952 139 S CA 0.140 58.343 58.200 0.005 0.000 0.887 139 S CB 0.253 63.456 63.200 0.005 0.000 0.857 139 S HN -0.030 8.283 8.310 0.007 0.000 0.611 140 D N 1.939 122.341 120.400 0.004 0.000 2.515 140 D HA -0.109 nan 4.640 nan 0.000 0.230 140 D C 1.260 177.561 176.300 0.002 0.000 1.181 140 D CA 0.785 54.787 54.000 0.003 0.000 0.875 140 D CB 0.507 41.308 40.800 0.003 0.000 1.213 140 D HN -0.177 8.196 8.370 0.004 0.000 0.478 141 S N 3.170 118.870 115.700 0.001 0.000 2.374 141 S HA -0.442 nan 4.470 nan 0.000 0.227 141 S C 1.825 176.424 174.600 -0.000 0.000 1.037 141 S CA 3.709 61.909 58.200 -0.001 0.000 1.024 141 S CB 0.094 63.293 63.200 -0.001 0.000 0.861 141 S HN 0.544 8.854 8.310 0.001 0.000 0.456 142 K N -0.094 120.306 120.400 0.000 0.000 2.097 142 K HA -0.248 nan 4.320 nan 0.000 0.206 142 K C 1.491 178.092 176.600 0.002 0.000 1.049 142 K CA 2.647 58.935 56.287 0.001 0.000 0.933 142 K CB -0.920 31.581 32.500 0.001 0.000 0.717 142 K HN -0.011 8.225 8.250 0.001 0.015 0.442 143 A N 0.295 123.116 122.820 0.003 0.000 1.828 143 A HA -0.224 nan 4.320 nan 0.000 0.215 143 A C 1.916 179.502 177.584 0.003 0.000 1.203 143 A CA 2.856 54.895 52.037 0.004 0.000 0.614 143 A CB -0.949 18.055 19.000 0.005 0.000 0.844 143 A HN -0.488 7.807 8.150 0.003 -0.144 0.445 144 I N -1.510 119.061 120.570 0.003 0.000 2.229 144 I HA -0.627 nan 4.170 nan 0.000 0.250 144 I C 2.073 178.190 176.117 -0.001 0.000 1.096 144 I CA 3.615 64.915 61.300 0.001 0.000 1.358 144 I CB -0.336 37.664 38.000 -0.000 0.000 1.047 144 I HN -0.248 7.964 8.210 0.003 0.000 0.422 145 A N -1.467 121.352 122.820 -0.001 0.000 1.854 145 A HA -0.339 nan 4.320 nan 0.000 0.214 145 A C 1.910 179.493 177.584 -0.001 0.000 1.192 145 A CA 3.207 55.242 52.037 -0.003 0.000 0.611 145 A CB -1.054 17.945 19.000 -0.003 0.000 0.832 145 A HN -0.075 7.970 8.150 -0.001 0.104 0.442 146 Q N -0.991 118.810 119.800 0.001 0.000 2.062 146 Q HA -0.369 nan 4.340 nan 0.000 0.209 146 Q C 2.509 178.511 176.000 0.003 0.000 0.996 146 Q CA 3.522 59.327 55.803 0.002 0.000 0.859 146 Q CB -0.108 28.633 28.738 0.004 0.000 0.920 146 Q HN 0.038 8.118 8.270 0.001 0.190 0.415 147 V N -1.986 117.930 119.914 0.004 0.000 2.453 147 V HA -0.301 nan 4.120 nan 0.000 0.247 147 V C 2.011 178.106 176.094 0.002 0.000 1.048 147 V CA 3.883 66.187 62.300 0.005 0.000 1.049 147 V CB -0.919 30.908 31.823 0.008 0.000 0.672 147 V HN -0.076 8.116 8.190 0.004 0.000 0.457 148 G N -1.270 107.528 108.800 -0.002 0.000 2.433 148 G HA2 -0.375 nan 3.960 nan 0.000 0.216 148 G HA3 -0.375 nan 3.960 nan 0.000 0.216 148 G C 0.841 175.737 174.900 -0.008 0.000 1.186 148 G CA 2.546 47.642 45.100 -0.008 0.000 0.779 148 G HN 0.235 8.336 8.290 -0.002 0.188 0.543 149 T N 1.817 116.368 114.554 -0.006 0.000 2.607 149 T HA -0.427 nan 4.350 nan 0.000 0.267 149 T C 2.510 177.208 174.700 -0.004 0.000 1.049 149 T CA 3.476 65.573 62.100 -0.006 0.000 1.162 149 T CB -0.651 68.214 68.868 -0.004 0.000 0.863 149 T HN -0.192 8.045 8.240 -0.005 0.000 0.424 150 I N 1.355 121.925 120.570 -0.001 0.000 2.113 150 I HA -0.644 nan 4.170 nan 0.000 0.242 150 I C 2.240 178.358 176.117 0.002 0.000 1.064 150 I CA 3.679 64.980 61.300 0.001 0.000 1.320 150 I CB -0.576 37.426 38.000 0.004 0.000 1.028 150 I HN -0.644 7.566 8.210 -0.000 0.000 0.406 151 S N -0.448 115.253 115.700 0.002 0.000 2.442 151 S HA -0.271 nan 4.470 nan 0.000 0.236 151 S C 0.181 174.781 174.600 -0.000 0.000 1.007 151 S CA 2.427 60.629 58.200 0.004 0.000 0.965 151 S CB -0.149 63.054 63.200 0.006 0.000 0.773 151 S HN -0.435 7.876 8.310 0.002 0.000 0.504 152 A N -1.483 121.334 122.820 -0.005 0.000 2.327 152 A HA 0.132 nan 4.320 nan 0.000 0.228 152 A C -0.970 176.611 177.584 -0.005 0.000 1.275 152 A CA -0.438 51.594 52.037 -0.008 0.000 0.875 152 A CB -0.476 18.517 19.000 -0.012 0.000 0.925 152 A HN -0.415 7.574 8.150 -0.005 0.157 0.493 153 N N -3.150 115.549 118.700 -0.002 0.000 2.741 153 N HA -0.382 nan 4.740 nan 0.000 0.251 153 N C -0.632 174.876 175.510 -0.003 0.000 1.112 153 N CA 1.093 54.142 53.050 -0.001 0.000 0.750 153 N CB -1.116 37.371 38.487 -0.001 0.000 1.119 153 N HN -0.059 8.099 8.380 -0.000 0.221 0.561 154 S N -4.903 110.795 115.700 -0.003 0.000 4.035 154 S HA -0.339 nan 4.470 nan 0.000 0.339 154 S C -1.608 172.989 174.600 -0.005 0.000 1.040 154 S CA 0.863 59.061 58.200 -0.004 0.000 0.972 154 S CB -0.623 62.575 63.200 -0.003 0.000 0.855 154 S HN 0.222 8.398 8.310 -0.003 0.132 0.496 155 D N 0.842 121.239 120.400 -0.006 0.000 2.500 155 D HA 0.205 nan 4.640 nan 0.000 0.219 155 D C 0.486 176.781 176.300 -0.007 0.000 1.137 155 D CA -2.254 51.742 54.000 -0.007 0.000 0.946 155 D CB 0.097 40.892 40.800 -0.008 0.000 1.022 155 D HN -0.721 7.645 8.370 -0.006 0.000 0.518 156 E N 3.904 124.100 120.200 -0.006 0.000 2.233 156 E HA -0.502 nan 4.350 nan 0.000 0.210 156 E C 1.758 178.354 176.600 -0.007 0.000 1.046 156 E CA 2.738 59.135 56.400 -0.006 0.000 0.844 156 E CB -0.743 28.954 29.700 -0.005 0.000 0.741 156 E HN 0.009 8.366 8.360 -0.005 0.000 0.465 157 T N 2.095 116.644 114.554 -0.008 0.000 2.555 157 T HA -0.342 nan 4.350 nan 0.000 0.264 157 T C 1.975 176.668 174.700 -0.012 0.000 1.083 157 T CA 3.320 65.415 62.100 -0.009 0.000 1.179 157 T CB -0.675 68.187 68.868 -0.010 0.000 0.863 157 T HN -0.617 7.725 8.240 -0.007 -0.106 0.412 158 V N 1.807 121.713 119.914 -0.014 0.000 2.277 158 V HA -0.486 nan 4.120 nan 0.000 0.253 158 V C 1.839 177.922 176.094 -0.018 0.000 1.067 158 V CA 3.810 66.099 62.300 -0.018 0.000 1.047 158 V CB -1.254 30.556 31.823 -0.021 0.000 0.649 158 V HN -0.293 8.039 8.190 -0.013 -0.149 0.447 159 G N -2.715 106.077 108.800 -0.014 0.000 2.491 159 G HA2 -0.470 nan 3.960 nan 0.000 0.218 159 G HA3 -0.470 nan 3.960 nan 0.000 0.218 159 G C 0.749 175.641 174.900 -0.012 0.000 1.180 159 G CA 2.393 47.486 45.100 -0.012 0.000 0.774 159 G HN -0.222 8.061 8.290 -0.012 0.000 0.562 160 K N 1.155 121.549 120.400 -0.011 0.000 2.218 160 K HA -0.366 nan 4.320 nan 0.000 0.205 160 K C 2.533 179.126 176.600 -0.012 0.000 1.046 160 K CA 2.664 58.946 56.287 -0.010 0.000 0.933 160 K CB -0.380 32.115 32.500 -0.008 0.000 0.728 160 K HN -0.410 7.837 8.250 -0.010 -0.003 0.454 161 L N -0.821 120.393 121.223 -0.015 0.000 2.068 161 L HA -0.285 nan 4.340 nan 0.000 0.204 161 L C 1.684 178.542 176.870 -0.020 0.000 1.076 161 L CA 2.885 57.715 54.840 -0.018 0.000 0.753 161 L CB 0.117 42.162 42.059 -0.022 0.000 0.910 161 L HN -0.380 7.676 8.230 -0.016 0.165 0.439 162 I N -0.940 119.617 120.570 -0.022 0.000 2.361 162 I HA -0.461 nan 4.170 nan 0.000 0.251 162 I C 2.182 178.290 176.117 -0.015 0.000 1.133 162 I CA 1.710 62.996 61.300 -0.023 0.000 1.413 162 I CB -1.893 36.092 38.000 -0.026 0.000 1.073 162 I HN -0.126 8.070 8.210 -0.023 0.000 0.424 163 A N -1.151 121.662 122.820 -0.012 0.000 1.968 163 A HA -0.244 nan 4.320 nan 0.000 0.217 163 A C 1.961 179.540 177.584 -0.008 0.000 1.169 163 A CA 3.452 55.484 52.037 -0.008 0.000 0.638 163 A CB -0.735 18.262 19.000 -0.006 0.000 0.812 163 A HN 0.098 8.219 8.150 -0.012 0.021 0.446 164 E N -0.512 119.683 120.200 -0.009 0.000 2.051 164 E HA -0.289 nan 4.350 nan 0.000 0.189 164 E C 2.262 178.856 176.600 -0.009 0.000 0.979 164 E CA 2.606 59.001 56.400 -0.008 0.000 0.803 164 E CB -0.165 29.529 29.700 -0.009 0.000 0.761 164 E HN -0.718 7.533 8.360 -0.011 0.103 0.451 165 A N 0.109 122.922 122.820 -0.012 0.000 1.849 165 A HA -0.309 nan 4.320 nan 0.000 0.217 165 A C 1.883 179.462 177.584 -0.008 0.000 1.202 165 A CA 3.191 55.221 52.037 -0.012 0.000 0.629 165 A CB -0.781 18.208 19.000 -0.018 0.000 0.834 165 A HN 0.543 8.685 8.150 -0.014 0.000 0.447 166 M N -2.818 116.778 119.600 -0.008 0.000 2.195 166 M HA -0.422 nan 4.480 nan 0.000 0.260 166 M C 1.571 177.869 176.300 -0.003 0.000 1.066 166 M CA 3.588 58.886 55.300 -0.004 0.000 1.089 166 M CB 0.130 32.727 32.600 -0.004 0.000 1.377 166 M HN -0.300 7.984 8.290 -0.011 0.000 0.411 167 D N -1.494 118.904 120.400 -0.004 0.000 2.162 167 D HA -0.188 nan 4.640 nan 0.000 0.205 167 D C 2.907 179.205 176.300 -0.003 0.000 0.964 167 D CA 2.902 56.901 54.000 -0.003 0.000 0.847 167 D CB 0.113 40.911 40.800 -0.004 0.000 0.988 167 D HN -0.410 7.735 8.370 -0.005 0.222 0.480 168 K N -0.388 120.009 120.400 -0.004 0.000 2.160 168 K HA -0.228 nan 4.320 nan 0.000 0.206 168 K C 0.820 177.418 176.600 -0.003 0.000 1.047 168 K CA 2.431 58.715 56.287 -0.004 0.000 0.930 168 K CB 0.601 33.098 32.500 -0.005 0.000 0.720 168 K HN 0.027 8.155 8.250 -0.005 0.120 0.450 169 V N -3.208 116.704 119.914 -0.003 0.000 3.187 169 V HA 0.234 nan 4.120 nan 0.000 0.402 169 V C -1.857 174.237 176.094 0.000 0.000 1.457 169 V CA -1.305 60.995 62.300 -0.001 0.000 1.409 169 V CB 0.244 32.067 31.823 -0.001 0.000 1.218 169 V HN -0.511 7.653 8.190 -0.003 0.024 0.595 170 G N -0.339 108.460 108.800 -0.000 0.000 2.733 170 G HA2 -0.262 nan 3.960 nan 0.000 0.686 170 G HA3 -0.262 nan 3.960 nan 0.000 0.686 170 G C -0.777 174.125 174.900 0.003 0.000 1.373 170 G CA -0.413 44.688 45.100 0.001 0.000 0.838 170 G HN -0.719 7.570 8.290 -0.001 0.000 0.588 171 K N 0.390 120.792 120.400 0.004 0.000 2.147 171 K HA -0.257 nan 4.320 nan 0.000 0.205 171 K C 0.284 176.889 176.600 0.009 0.000 1.049 171 K CA 2.320 58.610 56.287 0.006 0.000 0.936 171 K CB 0.051 32.555 32.500 0.006 0.000 0.722 171 K HN 0.317 8.569 8.250 0.003 0.000 0.446 172 E N -2.448 117.757 120.200 0.009 0.000 2.663 172 E HA 0.152 nan 4.350 nan 0.000 0.240 172 E C -0.683 175.924 176.600 0.012 0.000 1.227 172 E CA -1.216 55.191 56.400 0.012 0.000 1.528 172 E CB -1.363 28.343 29.700 0.011 0.000 1.472 172 E HN -0.230 8.114 8.360 0.007 0.020 0.433 173 G N -1.498 107.308 108.800 0.011 0.000 2.597 173 G HA2 0.214 nan 3.960 nan 0.000 0.317 173 G HA3 0.214 nan 3.960 nan 0.000 0.317 173 G C -1.838 173.070 174.900 0.013 0.000 1.230 173 G CA -1.184 43.922 45.100 0.010 0.000 0.996 173 G HN -0.607 7.625 8.290 0.010 0.064 0.490 174 V N 1.845 121.766 119.914 0.012 0.000 2.223 174 V HA 0.274 nan 4.120 nan 0.000 0.249 174 V C -1.088 175.009 176.094 0.005 0.000 1.233 174 V CA -1.516 60.791 62.300 0.011 0.000 1.131 174 V CB -0.816 31.015 31.823 0.012 0.000 1.298 174 V HN 0.424 8.621 8.190 0.011 0.000 0.498 175 I N 8.556 129.129 120.570 0.004 0.000 2.532 175 I HA 0.386 nan 4.170 nan 0.000 0.292 175 I C -0.420 175.692 176.117 -0.007 0.000 1.014 175 I CA -0.096 61.200 61.300 -0.006 0.000 1.340 175 I CB 0.816 38.808 38.000 -0.013 0.000 1.422 175 I HN -0.505 7.711 8.210 0.010 0.000 0.528 176 T N 6.068 120.613 114.554 -0.014 0.000 2.907 176 T HA 0.360 nan 4.350 nan 0.000 0.292 176 T C -1.088 173.597 174.700 -0.026 0.000 1.043 176 T CA -1.032 61.059 62.100 -0.014 0.000 1.003 176 T CB 2.527 71.389 68.868 -0.010 0.000 1.084 176 T HN 0.215 8.446 8.240 -0.016 0.000 0.483 177 V N -0.414 119.484 119.914 -0.027 0.000 2.204 177 V HA 0.504 nan 4.120 nan 0.000 0.264 177 V C -0.932 175.150 176.094 -0.020 0.000 1.106 177 V CA -2.669 59.611 62.300 -0.034 0.000 0.947 177 V CB -1.395 30.394 31.823 -0.058 0.000 1.164 177 V HN 0.418 8.599 8.190 -0.016 0.000 0.461 178 E N 5.105 125.295 120.200 -0.016 0.000 2.313 178 E HA 0.046 nan 4.350 nan 0.000 0.276 178 E C -1.002 175.592 176.600 -0.011 0.000 1.031 178 E CA -0.100 56.293 56.400 -0.011 0.000 0.857 178 E CB 1.676 31.371 29.700 -0.009 0.000 1.040 178 E HN 0.045 8.394 8.360 -0.018 0.000 0.408 179 D N 2.769 123.164 120.400 -0.008 0.000 2.362 179 D HA -0.143 nan 4.640 nan 0.000 0.238 179 D C 0.286 176.582 176.300 -0.007 0.000 1.212 179 D CA 0.571 54.567 54.000 -0.007 0.000 0.902 179 D CB 1.726 42.523 40.800 -0.004 0.000 1.180 179 D HN 0.160 8.526 8.370 -0.006 0.000 0.445 180 G N -1.174 107.622 108.800 -0.007 0.000 2.653 180 G HA2 -0.073 nan 3.960 nan 0.000 0.265 180 G HA3 -0.073 nan 3.960 nan 0.000 0.265 180 G C -0.523 174.375 174.900 -0.005 0.000 1.237 180 G CA 0.037 45.133 45.100 -0.006 0.000 0.946 180 G HN 0.187 8.473 8.290 -0.007 0.000 0.522 181 T N -4.381 110.171 114.554 -0.004 0.000 3.105 181 T HA 0.233 nan 4.350 nan 0.000 0.257 181 T C 0.666 175.363 174.700 -0.003 0.000 0.949 181 T CA 0.338 62.436 62.100 -0.004 0.000 0.959 181 T CB 0.753 69.619 68.868 -0.003 0.000 1.205 181 T HN 0.491 8.728 8.240 -0.005 0.000 0.496 182 G N 1.528 110.326 108.800 -0.004 0.000 3.183 182 G HA2 0.444 nan 3.960 nan 0.000 0.247 182 G HA3 0.444 nan 3.960 nan 0.000 0.247 182 G C -1.268 173.630 174.900 -0.004 0.000 1.211 182 G CA -0.269 44.829 45.100 -0.004 0.000 0.835 182 G HN -0.643 7.645 8.290 -0.004 0.000 0.604 183 L N -0.477 120.744 121.223 -0.004 0.000 2.046 183 L HA 0.096 nan 4.340 nan 0.000 0.203 183 L C 0.429 177.296 176.870 -0.005 0.000 1.111 183 L CA 1.622 56.459 54.840 -0.004 0.000 0.769 183 L CB -0.160 41.897 42.059 -0.004 0.000 0.914 183 L HN -0.012 8.215 8.230 -0.004 0.000 0.448 184 Q N -1.027 118.770 119.800 -0.005 0.000 2.075 184 Q HA -0.301 nan 4.340 nan 0.000 0.464 184 Q C -0.313 175.683 176.000 -0.006 0.000 0.954 184 Q CA 2.342 58.141 55.803 -0.005 0.000 0.898 184 Q CB 0.127 28.862 28.738 -0.005 0.000 0.985 184 Q HN 0.019 8.287 8.270 -0.004 0.000 0.567 185 D N -4.383 116.012 120.400 -0.007 0.000 2.415 185 D HA 0.026 nan 4.640 nan 0.000 0.128 185 D C -1.728 174.567 176.300 -0.008 0.000 0.781 185 D CA -0.085 53.910 54.000 -0.008 0.000 1.249 185 D CB 1.161 41.955 40.800 -0.009 0.000 4.942 185 D HN -0.117 8.250 8.370 -0.006 0.000 0.685 186 E N 2.750 122.945 120.200 -0.009 0.000 2.235 186 E HA 0.479 nan 4.350 nan 0.000 0.265 186 E C -1.746 174.849 176.600 -0.010 0.000 0.940 186 E CA -2.317 54.078 56.400 -0.008 0.000 0.819 186 E CB 2.835 32.531 29.700 -0.007 0.000 1.206 186 E HN 0.396 8.654 8.360 -0.009 0.097 0.409 187 L N 0.915 122.133 121.223 -0.009 0.000 2.526 187 L HA 0.495 nan 4.340 nan 0.000 0.263 187 L C -2.173 174.692 176.870 -0.008 0.000 0.943 187 L CA -0.522 54.312 54.840 -0.010 0.000 0.859 187 L CB 3.026 45.079 42.059 -0.010 0.000 1.313 187 L HN -0.059 8.167 8.230 -0.008 0.000 0.406 188 D N 4.102 124.497 120.400 -0.008 0.000 2.878 188 D HA 0.033 nan 4.640 nan 0.000 0.211 188 D C -2.137 174.159 176.300 -0.006 0.000 1.271 188 D CA -0.665 53.331 54.000 -0.007 0.000 0.845 188 D CB 2.582 43.379 40.800 -0.006 0.000 1.679 188 D HN 0.426 8.791 8.370 -0.009 0.000 0.536 189 V N 2.294 122.205 119.914 -0.006 0.000 2.405 189 V HA 0.169 nan 4.120 nan 0.000 0.264 189 V C -0.637 175.454 176.094 -0.005 0.000 1.048 189 V CA 0.035 62.332 62.300 -0.005 0.000 0.966 189 V CB -0.645 31.175 31.823 -0.004 0.000 1.015 189 V HN 0.096 8.282 8.190 -0.005 0.000 0.477 190 V N 7.671 127.582 119.914 -0.004 0.000 2.864 190 V HA 0.462 nan 4.120 nan 0.000 0.314 190 V C -1.660 174.432 176.094 -0.003 0.000 1.073 190 V CA -2.619 59.678 62.300 -0.004 0.000 0.956 190 V CB 4.705 36.525 31.823 -0.005 0.000 1.023 190 V HN -0.233 7.955 8.190 -0.004 0.000 0.435 191 E N 5.287 125.485 120.200 -0.004 0.000 2.585 191 E HA -0.180 nan 4.350 nan 0.000 0.252 191 E C -0.947 175.654 176.600 0.001 0.000 0.981 191 E CA 1.272 57.670 56.400 -0.003 0.000 0.943 191 E CB 0.340 30.036 29.700 -0.007 0.000 0.923 191 E HN 0.396 8.753 8.360 -0.005 0.000 0.486 192 G N 2.342 111.146 108.800 0.007 0.000 2.495 192 G HA2 0.406 nan 3.960 nan 0.000 0.294 192 G HA3 0.406 nan 3.960 nan 0.000 0.294 192 G C -2.936 171.983 174.900 0.031 0.000 1.397 192 G CA 0.174 45.283 45.100 0.015 0.000 0.790 192 G HN -0.066 8.228 8.290 0.007 0.000 0.486 193 M N -0.477 119.154 119.600 0.053 0.000 2.818 193 M HA 0.152 nan 4.480 nan 0.000 0.207 193 M C -2.102 174.273 176.300 0.125 0.000 1.874 193 M CA 0.332 55.690 55.300 0.096 0.000 1.238 193 M CB 2.699 35.390 32.600 0.151 0.000 1.287 193 M HN 0.152 8.468 8.290 0.043 0.000 0.592 194 Q N -2.974 116.901 119.800 0.125 0.000 3.135 194 Q HA -0.355 nan 4.340 nan 0.000 0.048 194 Q C -1.755 174.366 176.000 0.201 0.000 1.656 194 Q CA 1.042 56.877 55.803 0.054 0.000 0.292 194 Q CB -0.704 28.042 28.738 0.014 0.000 0.586 194 Q HN -0.610 7.787 8.270 0.109 -0.062 0.322 195 F N 1.320 121.264 119.950 -0.010 0.000 2.741 195 F HA 0.400 nan 4.527 nan 0.000 0.313 195 F C -1.633 174.163 175.800 -0.005 0.000 1.153 195 F CA -1.796 56.200 58.000 -0.007 0.000 0.931 195 F CB 2.390 41.388 39.000 -0.004 0.000 1.335 195 F HN 0.272 8.318 8.300 -0.423 0.000 0.460 196 D N 0.577 121.129 120.400 0.253 0.000 2.941 196 D HA -0.114 nan 4.640 nan 0.000 0.236 196 D C -0.992 175.411 176.300 0.172 0.000 1.147 196 D CA 1.271 55.355 54.000 0.140 0.000 0.975 196 D CB -1.512 39.360 40.800 0.120 0.000 1.162 196 D HN 0.170 8.716 8.370 0.294 0.000 0.444 197 R N -0.199 120.374 120.500 0.123 0.000 2.422 197 R HA 0.254 nan 4.340 nan 0.000 0.307 197 R C -0.948 175.369 176.300 0.028 0.000 1.004 197 R CA -2.028 54.163 56.100 0.152 0.000 0.882 197 R CB 1.397 31.929 30.300 0.386 0.000 1.164 197 R HN -0.521 7.645 8.270 -0.063 0.066 0.489 198 G N 1.659 110.498 108.800 0.065 0.000 2.569 198 G HA2 -0.163 nan 3.960 nan 0.000 0.249 198 G HA3 -0.163 nan 3.960 nan 0.000 0.249 198 G C -0.671 174.375 174.900 0.243 0.000 1.216 198 G CA -0.694 44.448 45.100 0.070 0.000 0.845 198 G HN 0.138 8.484 8.290 0.093 0.000 0.568 199 Y N -1.587 118.770 120.300 0.095 0.000 2.702 199 Y HA -0.151 nan 4.550 nan 0.000 0.336 199 Y C 0.149 176.242 175.900 0.321 0.000 1.235 199 Y CA -2.253 55.980 58.100 0.222 0.000 1.492 199 Y CB -0.462 38.171 38.460 0.288 0.000 1.308 199 Y HN -0.753 7.410 8.280 -0.006 0.114 0.589 200 L N 1.079 122.678 121.223 0.628 0.000 2.191 200 L HA -0.124 nan 4.340 nan 0.000 0.212 200 L C 0.136 176.958 176.870 -0.080 0.000 1.103 200 L CA 1.334 56.346 54.840 0.287 0.000 0.769 200 L CB -0.544 41.698 42.059 0.306 0.000 0.908 200 L HN 0.100 8.794 8.230 0.774 0.000 0.438 201 S N -5.372 110.104 115.700 -0.374 0.000 2.548 201 S HA 0.379 nan 4.470 nan 0.000 0.286 201 S C -1.603 172.497 174.600 -0.834 0.000 1.098 201 S CA -3.204 54.595 58.200 -0.668 0.000 0.930 201 S CB 1.871 64.511 63.200 -0.933 0.000 1.070 201 S HN -0.696 7.587 8.310 0.005 0.029 0.480 202 P HA -0.167 nan 4.420 nan 0.000 0.215 202 P C 0.878 178.027 177.300 -0.253 0.000 1.157 202 P CA 2.053 64.767 63.100 -0.644 0.000 0.863 202 P CB -0.024 31.489 31.700 -0.312 0.000 0.787 203 Y N -4.954 115.166 120.300 -0.300 0.000 2.446 203 Y HA -0.213 nan 4.550 nan 0.000 0.287 203 Y C 1.207 177.088 175.900 -0.030 0.000 1.159 203 Y CA 0.478 58.488 58.100 -0.150 0.000 1.297 203 Y CB -1.355 37.003 38.460 -0.171 0.000 0.974 203 Y HN 0.093 8.229 8.280 -0.239 0.000 0.557 204 F N -1.707 118.227 119.950 -0.026 0.000 2.373 204 F HA -0.236 nan 4.527 nan 0.000 0.300 204 F C 0.899 176.793 175.800 0.157 0.000 1.080 204 F CA 1.208 59.238 58.000 0.050 0.000 1.417 204 F CB -0.077 38.953 39.000 0.050 0.000 1.070 204 F HN -0.698 7.298 8.300 -0.160 0.208 0.546 205 I N -0.316 120.476 120.570 0.370 0.000 3.085 205 I HA -0.374 nan 4.170 nan 0.000 0.302 205 I C -0.583 175.644 176.117 0.184 0.000 1.234 205 I CA 0.373 61.853 61.300 0.300 0.000 1.396 205 I CB -1.202 36.943 38.000 0.242 0.000 1.385 205 I HN -0.421 7.796 8.210 0.284 0.164 0.533 206 N N 8.969 127.757 118.700 0.146 0.000 0.000 206 N HA 0.044 nan 4.740 nan 0.000 0.000 206 N C -0.671 174.877 175.510 0.063 0.000 0.000 206 N CA 0.417 53.518 53.050 0.085 0.000 0.000 206 N CB 1.190 39.709 38.487 0.054 0.000 0.000 206 N HN 0.091 8.565 8.380 0.158 0.000 0.000 207 K N -1.654 nan 120.400 nan 0.000 0.000 207 K HA 0.464 4.784 4.320 0.000 0.000 0.000 207 K C -2.343 nan 176.600 nan 0.000 0.000 207 K CA -0.718 55.586 56.287 0.028 0.000 0.000 207 K CB -1.195 nan 32.500 nan 0.000 0.000 207 K HN 0.303 nan 8.250 nan 0.000 0.000 208 P HA 1.081 5.501 4.420 0.000 0.000 0.000 208 P C -1.343 nan 177.300 nan 0.000 0.000 208 P CA 1.441 64.560 63.100 0.031 0.000 0.000 208 P CB 0.167 nan 31.700 nan 0.000 0.000 209 E N -2.939 nan 120.200 nan 0.000 0.000 209 E HA 1.030 5.380 4.350 0.000 0.000 0.000 209 E C -0.009 nan 176.600 nan 0.000 0.000 209 E CA 1.024 57.453 56.400 0.049 0.000 0.000 209 E CB -0.143 nan 29.700 nan 0.000 0.000 209 E HN 2.672 nan 8.360 nan 0.000 0.000 210 T N -1.268 nan 114.554 nan 0.000 0.000 210 T HA 0.339 4.689 4.350 0.000 0.000 0.000 210 T C -1.295 nan 174.700 nan 0.000 0.000 210 T CA 0.312 62.426 62.100 0.024 0.000 0.000 210 T CB 0.471 nan 68.868 nan 0.000 0.000 210 T HN 0.247 nan 8.240 nan 0.000 0.000 211 G N 0.751 109.578 108.800 0.046 0.000 0.000 211 G HA2 0.019 3.979 3.960 0.000 0.000 0.000 211 G HA3 0.019 3.979 3.960 0.000 0.000 0.000 211 G C -2.696 172.194 174.900 -0.016 0.000 0.000 211 G CA 1.147 46.282 45.100 0.059 0.000 0.000 211 G HN 0.378 8.704 8.290 0.059 0.000 0.000 212 A N -0.787 122.036 122.820 0.004 0.000 2.427 212 A HA 0.511 nan 4.320 nan 0.000 0.298 212 A C -0.254 177.337 177.584 0.012 0.000 1.036 212 A CA -0.488 51.521 52.037 -0.047 0.000 0.701 212 A CB 2.520 21.486 19.000 -0.057 0.000 1.250 212 A HN -0.702 7.471 8.150 0.038 0.000 0.412 213 V N -1.583 118.337 119.914 0.009 0.000 3.292 213 V HA 0.138 nan 4.120 nan 0.000 0.372 213 V C -0.858 175.231 176.094 -0.008 0.000 1.249 213 V CA -1.432 60.890 62.300 0.036 0.000 1.378 213 V CB -1.534 30.326 31.823 0.061 0.000 1.245 213 V HN 0.294 8.455 8.190 -0.048 0.000 0.467 214 E N 0.219 120.411 120.200 -0.014 0.000 2.637 214 E HA -0.366 nan 4.350 nan 0.000 0.231 214 E C -0.463 176.130 176.600 -0.012 0.000 1.226 214 E CA 0.879 57.267 56.400 -0.019 0.000 0.950 214 E CB -1.539 28.154 29.700 -0.012 0.000 1.049 214 E HN -0.527 7.721 8.360 -0.009 0.106 0.494 215 L N 4.391 125.603 121.223 -0.019 0.000 2.375 215 L HA 0.163 nan 4.340 nan 0.000 0.271 215 L C -0.099 176.769 176.870 -0.003 0.000 1.107 215 L CA -0.745 54.088 54.840 -0.011 0.000 0.806 215 L CB 1.361 43.409 42.059 -0.018 0.000 1.146 215 L HN -0.414 7.798 8.230 -0.031 0.000 0.447 216 E N 1.747 121.950 120.200 0.004 0.000 2.248 216 E HA 0.221 nan 4.350 nan 0.000 0.272 216 E C -0.894 175.720 176.600 0.023 0.000 1.008 216 E CA -0.938 55.468 56.400 0.010 0.000 0.856 216 E CB 1.575 31.280 29.700 0.009 0.000 1.120 216 E HN 0.166 8.528 8.360 0.004 0.000 0.397 217 S N 1.449 117.169 115.700 0.034 0.000 4.285 217 S HA -0.320 nan 4.470 nan 0.000 0.181 217 S C -1.829 172.830 174.600 0.099 0.000 0.439 217 S CA 1.028 59.266 58.200 0.063 0.000 1.314 217 S CB -0.874 62.364 63.200 0.063 0.000 1.972 217 S HN -0.157 8.168 8.310 0.025 0.000 0.313 218 P HA 0.550 nan 4.420 nan 0.000 0.332 218 P C -2.056 175.474 177.300 0.384 0.000 1.256 218 P CA -1.464 61.741 63.100 0.175 0.000 0.819 218 P CB 2.008 33.761 31.700 0.088 0.000 1.377 219 F N -2.238 117.708 119.950 -0.007 0.000 2.612 219 F HA 0.203 nan 4.527 nan 0.000 0.332 219 F C -1.763 174.038 175.800 0.001 0.000 1.167 219 F CA -1.435 56.564 58.000 -0.001 0.000 0.970 219 F CB 2.677 41.678 39.000 0.001 0.000 1.234 219 F HN -0.103 8.369 8.300 0.288 0.000 0.453 220 I N 3.472 124.101 120.570 0.097 0.000 2.337 220 I HA 0.207 nan 4.170 nan 0.000 0.291 220 I C -1.243 174.915 176.117 0.070 0.000 1.046 220 I CA -1.972 59.372 61.300 0.073 0.000 1.324 220 I CB -0.826 37.200 38.000 0.043 0.000 1.409 220 I HN -0.070 8.041 8.210 0.007 0.104 0.494 221 L N 8.818 130.091 121.223 0.083 0.000 2.307 221 L HA 0.472 nan 4.340 nan 0.000 0.282 221 L C -2.583 174.322 176.870 0.059 0.000 1.051 221 L CA -1.320 53.564 54.840 0.073 0.000 0.804 221 L CB 2.522 44.629 42.059 0.081 0.000 1.197 221 L HN 0.645 8.808 8.230 0.085 0.118 0.431 222 L N 5.429 126.680 121.223 0.046 0.000 2.341 222 L HA 0.587 nan 4.340 nan 0.000 0.278 222 L C -1.780 175.111 176.870 0.036 0.000 1.005 222 L CA -1.021 53.842 54.840 0.039 0.000 0.818 222 L CB 2.284 44.358 42.059 0.024 0.000 1.259 222 L HN -0.015 8.240 8.230 0.042 0.000 0.418 223 A N 2.007 124.850 122.820 0.038 0.000 2.359 223 A HA 0.435 nan 4.320 nan 0.000 0.303 223 A C -2.225 175.379 177.584 0.032 0.000 1.066 223 A CA -1.431 50.627 52.037 0.035 0.000 0.730 223 A CB 2.936 21.960 19.000 0.042 0.000 1.211 223 A HN 0.312 8.488 8.150 0.042 0.000 0.439 224 D N 2.934 123.350 120.400 0.026 0.000 0.000 224 D HA 0.258 nan 4.640 nan 0.000 0.000 224 D C 0.391 176.709 176.300 0.029 0.000 0.000 224 D CA 0.311 54.326 54.000 0.025 0.000 0.000 224 D CB 1.765 42.576 40.800 0.019 0.000 0.000 224 D HN 0.195 8.579 8.370 0.024 0.000 0.000 225 K N -1.901 nan 120.400 nan 0.000 0.000 225 K HA 0.697 5.017 4.320 0.000 0.000 0.000 225 K C -0.832 nan 176.600 nan 0.000 0.000 225 K CA -0.051 56.257 56.287 0.034 0.000 0.000 225 K CB 0.076 nan 32.500 nan 0.000 0.000 225 K HN 0.664 nan 8.250 nan 0.000 0.000 226 K N -1.860 nan 120.400 nan 0.000 0.000 226 K HA 1.123 5.443 4.320 0.000 0.000 0.000 226 K C -0.471 nan 176.600 nan 0.000 0.000 226 K CA 0.453 56.763 56.287 0.038 0.000 0.000 226 K CB -0.686 nan 32.500 nan 0.000 0.000 226 K HN 2.653 nan 8.250 nan 0.000 0.000 227 I N -2.750 nan 120.570 nan 0.000 0.000 227 I HA 0.986 5.156 4.170 0.000 0.000 0.000 227 I C 0.182 nan 176.117 nan 0.000 0.000 227 I CA 0.607 61.933 61.300 0.044 0.000 0.000 227 I CB 0.225 nan 38.000 nan 0.000 0.000 227 I HN 2.757 nan 8.210 nan 0.000 0.000 228 S N -0.617 nan 115.700 nan 0.000 0.000 228 S HA 1.263 5.733 4.470 0.000 0.000 0.000 228 S C -0.341 nan 174.600 nan 0.000 0.000 228 S CA 0.589 58.803 58.200 0.024 0.000 0.000 228 S CB -0.052 nan 63.200 nan 0.000 0.000 228 S HN 3.179 nan 8.310 nan 0.000 0.000 229 N N -1.843 nan 118.700 nan 0.000 0.000 229 N HA 1.093 5.833 4.740 0.000 0.000 0.000 229 N C -0.273 nan 175.510 nan 0.000 0.000 229 N CA 0.463 53.524 53.050 0.019 0.000 0.000 229 N CB -0.437 nan 38.487 nan 0.000 0.000 229 N HN 2.695 nan 8.380 nan 0.000 0.000 230 I N -4.182 nan 120.570 nan 0.000 0.000 230 I HA 1.153 5.323 4.170 0.000 0.000 0.000 230 I C 0.100 nan 176.117 nan 0.000 0.000 230 I CA 0.693 62.006 61.300 0.021 0.000 0.000 230 I CB 0.285 nan 38.000 nan 0.000 0.000 230 I HN 2.759 nan 8.210 nan 0.000 0.000 231 R N -0.132 nan 120.500 nan 0.000 0.000 231 R HA 1.252 5.592 4.340 0.000 0.000 0.000 231 R C -0.177 nan 176.300 nan 0.000 0.000 231 R CA 1.205 57.312 56.100 0.013 0.000 0.000 231 R CB -0.745 nan 30.300 nan 0.000 0.000 231 R HN 3.121 nan 8.270 nan 0.000 0.000 232 E N -2.637 nan 120.200 nan 0.000 0.000 232 E HA 1.030 5.380 4.350 0.000 0.000 0.000 232 E C -0.148 nan 176.600 nan 0.000 0.000 232 E CA 0.402 56.812 56.400 0.016 0.000 0.000 232 E CB -0.392 nan 29.700 nan 0.000 0.000 232 E HN 2.788 nan 8.360 nan 0.000 0.000 233 M N -1.797 nan 119.600 nan 0.000 0.000 233 M HA 1.128 5.608 4.480 0.000 0.000 0.000 233 M C -0.581 nan 176.300 nan 0.000 0.000 233 M CA 0.578 55.894 55.300 0.026 0.000 0.000 233 M CB -0.626 nan 32.600 nan 0.000 0.000 233 M HN 2.846 nan 8.290 nan 0.000 0.000 234 L N -2.678 nan 121.223 nan 0.000 0.000 234 L HA 1.199 5.539 4.340 0.000 0.000 0.000 234 L C -1.169 nan 176.870 nan 0.000 0.000 234 L CA -0.035 54.814 54.840 0.015 0.000 0.000 234 L CB -0.717 nan 42.059 nan 0.000 0.000 234 L HN 3.256 nan 8.230 nan 0.000 0.000 235 P HA 1.245 5.665 4.420 0.000 0.000 0.000 235 P C -1.157 nan 177.300 nan 0.000 0.000 235 P CA 0.514 63.619 63.100 0.009 0.000 0.000 235 P CB 0.342 nan 31.700 nan 0.000 0.000 236 V N -2.995 nan 119.914 nan 0.000 0.000 236 V HA 1.145 5.265 4.120 0.000 0.000 0.000 236 V C -0.218 nan 176.094 nan 0.000 0.000 236 V CA 0.368 62.679 62.300 0.018 0.000 0.000 236 V CB 0.295 nan 31.823 nan 0.000 0.000 236 V HN 2.717 nan 8.190 nan 0.000 0.000 237 L N -2.126 nan 121.223 nan 0.000 0.000 237 L HA 1.371 5.711 4.340 0.000 0.000 0.000 237 L C -0.339 nan 176.870 nan 0.000 0.000 237 L CA 0.858 55.692 54.840 -0.010 0.000 0.000 237 L CB 0.229 nan 42.059 nan 0.000 0.000 237 L HN 3.139 nan 8.230 nan 0.000 0.000 238 E N -1.316 nan 120.200 nan 0.000 0.000 238 E HA 1.181 5.531 4.350 0.000 0.000 0.000 238 E C -0.249 nan 176.600 nan 0.000 0.000 238 E CA 0.346 56.730 56.400 -0.026 0.000 0.000 238 E CB 0.241 nan 29.700 nan 0.000 0.000 238 E HN 3.050 nan 8.360 nan 0.000 0.000 239 A N -1.965 nan 122.820 nan 0.000 0.000 239 A HA 1.220 5.540 4.320 0.000 0.000 0.000 239 A C -0.711 nan 177.584 nan 0.000 0.000 239 A CA 0.477 52.459 52.037 -0.091 0.000 0.000 239 A CB -0.244 nan 19.000 nan 0.000 0.000 239 A HN 2.571 nan 8.150 nan 0.000 0.000 240 V N -3.081 nan 119.914 nan 0.000 0.000 240 V HA 1.068 5.188 4.120 0.000 0.000 0.000 240 V C -0.239 nan 176.094 nan 0.000 0.000 240 V CA 0.145 62.317 62.300 -0.214 0.000 0.000 240 V CB 0.406 nan 31.823 nan 0.000 0.000 240 V HN 2.958 nan 8.190 nan 0.000 0.000 241 A N -0.680 nan 122.820 nan 0.000 0.000 241 A HA 1.323 5.643 4.320 0.000 0.000 0.000 241 A C -0.426 nan 177.584 nan 0.000 0.000 241 A CA 0.862 52.852 52.037 -0.079 0.000 0.000 241 A CB 0.639 nan 19.000 nan 0.000 0.000 241 A HN 3.220 nan 8.150 nan 0.000 0.000 242 K N -1.591 nan 120.400 nan 0.000 0.000 242 K HA 1.115 5.435 4.320 0.000 0.000 0.000 242 K C -0.362 nan 176.600 nan 0.000 0.000 242 K CA 0.504 56.742 56.287 -0.082 0.000 0.000 242 K CB -0.003 nan 32.500 nan 0.000 0.000 242 K HN 2.852 nan 8.250 nan 0.000 0.000 243 A N -1.658 nan 122.820 nan 0.000 0.000 243 A HA 0.968 5.288 4.320 0.000 0.000 0.000 243 A C 0.123 nan 177.584 nan 0.000 0.000 243 A CA 0.488 52.483 52.037 -0.069 0.000 0.000 243 A CB 0.227 nan 19.000 nan 0.000 0.000 243 A HN 2.593 nan 8.150 nan 0.000 0.000 244 G N -2.454 nan 108.800 nan 0.000 0.000 244 G HA2 0.931 4.891 3.960 0.000 0.000 0.000 244 G HA3 0.931 4.891 3.960 0.000 0.000 0.000 244 G C -0.811 nan 174.900 nan 0.000 0.000 244 G CA 1.055 46.057 45.100 -0.163 0.000 0.000 244 G HN 2.451 nan 8.290 nan 0.000 0.000 245 K N -2.496 nan 120.400 nan 0.000 0.000 245 K HA 1.124 5.444 4.320 0.000 0.000 0.000 245 K C -2.100 nan 176.600 nan 0.000 0.000 245 K CA 0.656 56.903 56.287 -0.068 0.000 0.000 245 K CB 0.408 nan 32.500 nan 0.000 0.000 245 K HN 2.807 nan 8.250 nan 0.000 0.000 246 P HA 0.968 5.388 4.420 0.000 0.000 0.000 246 P C -2.375 nan 177.300 nan 0.000 0.000 246 P CA 0.163 63.251 63.100 -0.019 0.000 0.000 246 P CB 0.426 nan 31.700 nan 0.000 0.000 247 L N -0.863 120.353 121.223 -0.012 0.000 0.000 247 L HA 0.436 4.776 4.340 0.000 0.000 0.000 247 L C -2.567 174.304 176.870 0.001 0.000 0.000 247 L CA 0.471 55.313 54.840 0.004 0.000 0.000 247 L CB 2.156 44.213 42.059 -0.004 0.000 0.000 247 L HN -0.008 8.209 8.230 -0.021 0.000 0.000 248 L N 2.597 123.840 121.223 0.033 0.000 2.476 248 L HA 0.429 nan 4.340 nan 0.000 0.269 248 L C -1.970 174.923 176.870 0.038 0.000 0.965 248 L CA -0.205 54.644 54.840 0.015 0.000 0.845 248 L CB 3.100 45.181 42.059 0.037 0.000 1.259 248 L HN 0.215 8.485 8.230 0.067 0.000 0.403 249 I N 5.511 126.096 120.570 0.023 0.000 2.433 249 I HA 0.607 nan 4.170 nan 0.000 0.292 249 I C -1.632 174.526 176.117 0.068 0.000 1.001 249 I CA -0.682 60.651 61.300 0.055 0.000 1.119 249 I CB 2.479 40.520 38.000 0.068 0.000 1.289 249 I HN 0.285 8.485 8.210 -0.017 0.000 0.438 250 I N 7.857 128.477 120.570 0.084 0.000 2.560 250 I HA 0.459 nan 4.170 nan 0.000 0.278 250 I C -2.631 173.536 176.117 0.085 0.000 1.089 250 I CA -1.276 60.090 61.300 0.110 0.000 1.086 250 I CB 1.096 39.178 38.000 0.136 0.000 1.202 250 I HN 0.220 8.474 8.210 0.075 0.000 0.471 251 A N 5.933 128.806 122.820 0.088 0.000 2.552 251 A HA 0.739 nan 4.320 nan 0.000 0.288 251 A C -1.949 175.679 177.584 0.072 0.000 1.193 251 A CA -1.758 50.321 52.037 0.069 0.000 0.713 251 A CB 3.347 22.386 19.000 0.064 0.000 1.305 251 A HN 0.044 8.257 8.150 0.104 0.000 0.424 252 E N -0.071 120.165 120.200 0.060 0.000 2.418 252 E HA -0.257 nan 4.350 nan 0.000 0.261 252 E C -0.669 175.968 176.600 0.063 0.000 1.070 252 E CA 0.080 56.517 56.400 0.060 0.000 0.931 252 E CB 0.914 30.644 29.700 0.050 0.000 0.954 252 E HN -0.105 8.286 8.360 0.052 0.000 0.439 253 D N 2.169 122.606 120.400 0.062 0.000 6.521 253 D HA -0.320 nan 4.640 nan 0.000 0.249 253 D C -0.678 175.654 176.300 0.054 0.000 1.546 253 D CA 0.840 54.875 54.000 0.058 0.000 1.189 253 D CB -0.760 40.064 40.800 0.041 0.000 1.515 253 D HN 0.143 8.549 8.370 0.061 0.000 0.872 254 V N 3.153 123.109 119.914 0.070 0.000 0.000 254 V HA -0.135 nan 4.120 nan 0.000 0.000 254 V C 0.932 177.057 176.094 0.050 0.000 0.000 254 V CA 0.972 63.313 62.300 0.068 0.000 0.000 254 V CB 0.447 32.327 31.823 0.096 0.000 0.000 254 V HN 0.193 8.429 8.190 0.084 0.005 0.000 255 E N -1.005 nan 120.200 nan 0.000 0.000 255 E HA 0.660 5.010 4.350 0.000 0.000 0.000 255 E C -0.428 nan 176.600 nan 0.000 0.000 255 E CA -0.208 56.202 56.400 0.017 0.000 0.000 255 E CB 0.959 nan 29.700 nan 0.000 0.000 255 E HN 1.311 nan 8.360 nan 0.000 0.000 256 G N -2.478 nan 108.800 nan 0.000 0.000 256 G HA2 0.985 4.945 3.960 0.000 0.000 0.000 256 G HA3 0.985 4.945 3.960 0.000 0.000 0.000 256 G C -0.371 nan 174.900 nan 0.000 0.000 256 G CA 1.330 46.419 45.100 -0.018 0.000 0.000 256 G HN 1.973 nan 8.290 nan 0.000 0.000 257 E N -2.348 nan 120.200 nan 0.000 0.000 257 E HA 1.019 5.369 4.350 0.000 0.000 0.000 257 E C -0.453 nan 176.600 nan 0.000 0.000 257 E CA 0.387 56.782 56.400 -0.008 0.000 0.000 257 E CB 0.479 nan 29.700 nan 0.000 0.000 257 E HN 2.657 nan 8.360 nan 0.000 0.000 258 A N -2.247 nan 122.820 nan 0.000 0.000 258 A HA 1.228 5.548 4.320 0.000 0.000 0.000 258 A C -0.826 nan 177.584 nan 0.000 0.000 258 A CA 0.563 52.603 52.037 0.005 0.000 0.000 258 A CB -0.496 nan 19.000 nan 0.000 0.000 258 A HN 2.645 nan 8.150 nan 0.000 0.000 259 L N -2.949 nan 121.223 nan 0.000 0.000 259 L HA 1.121 5.461 4.340 0.000 0.000 0.000 259 L C -0.103 nan 176.870 nan 0.000 0.000 259 L CA 0.167 55.027 54.840 0.033 0.000 0.000 259 L CB -0.173 nan 42.059 nan 0.000 0.000 259 L HN 3.030 nan 8.230 nan 0.000 0.000 260 A N -1.561 nan 122.820 nan 0.000 0.000 260 A HA 1.311 5.631 4.320 0.000 0.000 0.000 260 A C 0.003 nan 177.584 nan 0.000 0.000 260 A CA 0.818 52.852 52.037 -0.005 0.000 0.000 260 A CB 0.208 nan 19.000 nan 0.000 0.000 260 A HN 3.543 nan 8.150 nan 0.000 0.000 261 T N -1.951 nan 114.554 nan 0.000 0.000 261 T HA 1.042 5.392 4.350 0.000 0.000 0.000 261 T C -0.290 nan 174.700 nan 0.000 0.000 261 T CA 0.606 62.674 62.100 -0.053 0.000 0.000 261 T CB -0.167 nan 68.868 nan 0.000 0.000 261 T HN 2.771 nan 8.240 nan 0.000 0.000 262 A N -1.474 nan 122.820 nan 0.000 0.000 262 A HA 1.260 5.580 4.320 0.000 0.000 0.000 262 A C -0.878 nan 177.584 nan 0.000 0.000 262 A CA 0.350 52.391 52.037 0.007 0.000 0.000 262 A CB -0.262 nan 19.000 nan 0.000 0.000 262 A HN 2.822 nan 8.150 nan 0.000 0.000 263 V N -2.856 nan 119.914 nan 0.000 0.000 263 V HA 1.064 5.184 4.120 0.000 0.000 0.000 263 V C -0.148 nan 176.094 nan 0.000 0.000 263 V CA 0.105 62.447 62.300 0.071 0.000 0.000 263 V CB 0.389 nan 31.823 nan 0.000 0.000 263 V HN 2.817 nan 8.190 nan 0.000 0.000 264 V N -2.046 nan 119.914 nan 0.000 0.000 264 V HA 1.227 5.347 4.120 0.000 0.000 0.000 264 V C -0.480 nan 176.094 nan 0.000 0.000 264 V CA 0.435 62.713 62.300 -0.037 0.000 0.000 264 V CB 0.729 nan 31.823 nan 0.000 0.000 264 V HN 3.088 nan 8.190 nan 0.000 0.000 265 N N -1.712 nan 118.700 nan 0.000 0.000 265 N HA 1.183 5.923 4.740 0.000 0.000 0.000 265 N C -0.078 nan 175.510 nan 0.000 0.000 265 N CA 1.087 54.152 53.050 0.026 0.000 0.000 265 N CB 0.835 nan 38.487 nan 0.000 0.000 265 N HN 3.056 nan 8.380 nan 0.000 0.000 266 T N -3.677 nan 114.554 nan 0.000 0.000 266 T HA 1.038 5.388 4.350 0.000 0.000 0.000 266 T C 0.129 nan 174.700 nan 0.000 0.000 266 T CA 1.061 63.172 62.100 0.019 0.000 0.000 266 T CB -0.999 nan 68.868 nan 0.000 0.000 266 T HN 2.865 nan 8.240 nan 0.000 0.000 267 M N -1.648 nan 119.600 nan 0.000 0.000 267 M HA 1.209 5.689 4.480 0.000 0.000 0.000 267 M C -0.380 nan 176.300 nan 0.000 0.000 267 M CA 0.851 56.178 55.300 0.046 0.000 0.000 267 M CB -0.162 nan 32.600 nan 0.000 0.000 267 M HN 3.065 nan 8.290 nan 0.000 0.000 268 R N -0.892 nan 120.500 nan 0.000 0.000 268 R HA 1.016 5.356 4.340 0.000 0.000 0.000 268 R C 0.356 nan 176.300 nan 0.000 0.000 268 R CA 0.239 56.338 56.100 -0.000 0.000 0.000 268 R CB -0.151 nan 30.300 nan 0.000 0.000 268 R HN 3.106 nan 8.270 nan 0.000 0.000 269 G N -2.041 nan 108.800 nan 0.000 0.000 269 G HA2 0.967 4.927 3.960 0.000 0.000 0.000 269 G HA3 0.967 4.927 3.960 0.000 0.000 0.000 269 G C -0.745 nan 174.900 nan 0.000 0.000 269 G CA 0.542 45.641 45.100 -0.001 0.000 0.000 269 G HN 2.513 nan 8.290 nan 0.000 0.000 270 I N -2.661 nan 120.570 nan 0.000 0.000 270 I HA 1.088 5.258 4.170 0.000 0.000 0.000 270 I C -0.226 nan 176.117 nan 0.000 0.000 270 I CA -0.188 61.113 61.300 0.002 0.000 0.000 270 I CB 0.690 nan 38.000 nan 0.000 0.000 270 I HN 2.640 nan 8.210 nan 0.000 0.000 271 V N -2.023 nan 119.914 nan 0.000 0.000 271 V HA 1.279 5.399 4.120 0.000 0.000 0.000 271 V C -0.492 nan 176.094 nan 0.000 0.000 271 V CA 0.377 62.673 62.300 -0.006 0.000 0.000 271 V CB 0.550 nan 31.823 nan 0.000 0.000 271 V HN 3.088 nan 8.190 nan 0.000 0.000 272 K N -1.289 nan 120.400 nan 0.000 0.000 272 K HA 1.265 5.585 4.320 0.000 0.000 0.000 272 K C -0.357 nan 176.600 nan 0.000 0.000 272 K CA 0.538 56.827 56.287 0.003 0.000 0.000 272 K CB 0.261 nan 32.500 nan 0.000 0.000 272 K HN 2.843 nan 8.250 nan 0.000 0.000 273 V N -2.770 nan 119.914 nan 0.000 0.000 273 V HA 0.978 5.098 4.120 0.000 0.000 0.000 273 V C -0.319 nan 176.094 nan 0.000 0.000 273 V CA 0.181 62.477 62.300 -0.007 0.000 0.000 273 V CB 0.404 nan 31.823 nan 0.000 0.000 273 V HN 2.848 nan 8.190 nan 0.000 0.000 274 A N -0.725 nan 122.820 nan 0.000 0.000 274 A HA 1.319 5.639 4.320 0.000 0.000 0.000 274 A C -0.433 nan 177.584 nan 0.000 0.000 274 A CA 0.316 52.014 52.037 -0.565 0.000 0.000 274 A CB 0.376 nan 19.000 nan 0.000 0.000 274 A HN 3.197 nan 8.150 nan 0.000 0.000 275 A N -1.438 nan 122.820 nan 0.000 0.000 275 A HA 0.750 5.070 4.320 0.000 0.000 0.000 275 A C -1.676 nan 177.584 nan 0.000 0.000 275 A CA -0.218 51.721 52.037 -0.163 0.000 0.000 275 A CB 0.758 nan 19.000 nan 0.000 0.000 275 A HN 0.371 nan 8.150 nan 0.000 0.000 276 V N -4.959 115.008 119.914 0.089 0.000 0.000 276 V HA 0.315 4.435 4.120 0.000 0.000 0.000 276 V C -2.004 174.191 176.094 0.169 0.000 0.000 276 V CA 0.087 62.477 62.300 0.150 0.000 0.000 276 V CB 1.819 33.704 31.823 0.104 0.000 0.000 276 V HN 0.714 8.946 8.190 0.070 0.000 0.000 277 K N 0.583 121.098 120.400 0.192 0.000 2.238 277 K HA 0.471 nan 4.320 nan 0.000 0.239 277 K C -0.960 175.747 176.600 0.178 0.000 0.987 277 K CA -1.378 55.008 56.287 0.165 0.000 0.857 277 K CB 3.118 35.704 32.500 0.144 0.000 1.154 277 K HN 0.196 8.573 8.250 0.213 0.000 0.439 278 A N 2.181 125.061 122.820 0.100 0.000 2.425 278 A HA 0.204 nan 4.320 nan 0.000 0.242 278 A C -2.256 175.323 177.584 -0.008 0.000 1.077 278 A CA -1.703 50.343 52.037 0.016 0.000 0.781 278 A CB -0.665 18.336 19.000 0.001 0.000 1.020 278 A HN 0.288 8.378 8.150 0.090 0.114 0.494 279 P HA 0.070 nan 4.420 nan 0.000 0.286 279 P C -0.349 176.914 177.300 -0.062 0.000 1.261 279 P CA 0.056 63.080 63.100 -0.127 0.000 0.821 279 P CB 1.104 32.579 31.700 -0.376 0.000 1.013 280 G N 2.474 111.284 108.800 0.016 0.000 2.601 280 G HA2 -0.338 nan 3.960 nan 0.000 0.261 280 G HA3 -0.338 nan 3.960 nan 0.000 0.261 280 G C -2.187 172.794 174.900 0.135 0.000 1.289 280 G CA 0.249 45.359 45.100 0.017 0.000 0.920 280 G HN 0.154 8.475 8.290 0.053 0.000 0.571 281 F N -4.383 115.564 119.950 -0.005 0.000 2.831 281 F HA 0.248 nan 4.527 nan 0.000 0.318 281 F C -1.351 174.452 175.800 0.005 0.000 1.174 281 F CA -2.253 55.748 58.000 0.002 0.000 0.918 281 F CB 1.407 40.414 39.000 0.012 0.000 1.364 281 F HN -0.306 7.711 8.300 -0.470 0.000 0.475 282 G N -0.409 108.589 108.800 0.330 0.000 2.566 282 G HA2 -0.576 nan 3.960 nan 0.000 0.280 282 G HA3 -0.576 nan 3.960 nan 0.000 0.280 282 G C 0.234 175.155 174.900 0.034 0.000 1.225 282 G CA 1.040 46.250 45.100 0.183 0.000 0.966 282 G HN 0.190 8.724 8.290 0.408 0.000 0.560 283 D N 2.143 122.539 120.400 -0.006 0.000 2.265 283 D HA -0.222 nan 4.640 nan 0.000 0.208 283 D C 2.027 178.289 176.300 -0.063 0.000 0.977 283 D CA 3.139 57.123 54.000 -0.025 0.000 0.871 283 D CB -0.099 40.689 40.800 -0.021 0.000 0.925 283 D HN 0.094 8.467 8.370 0.005 0.000 0.485 284 R N -0.404 120.023 120.500 -0.121 0.000 2.092 284 R HA -0.323 nan 4.340 nan 0.000 0.226 284 R C 1.550 177.782 176.300 -0.113 0.000 1.140 284 R CA 4.195 60.203 56.100 -0.153 0.000 0.910 284 R CB 0.135 30.273 30.300 -0.269 0.000 0.822 284 R HN -0.314 7.812 8.270 -0.155 0.051 0.433 285 R N -1.833 118.614 120.500 -0.089 0.000 2.154 285 R HA -0.339 nan 4.340 nan 0.000 0.248 285 R C 2.400 178.668 176.300 -0.053 0.000 1.155 285 R CA 2.837 58.900 56.100 -0.061 0.000 0.979 285 R CB -0.817 29.487 30.300 0.006 0.000 0.869 285 R HN 0.309 8.480 8.270 -0.094 0.043 0.452 286 K N -0.773 119.608 120.400 -0.033 0.000 1.985 286 K HA -0.304 nan 4.320 nan 0.000 0.210 286 K C 2.331 178.908 176.600 -0.039 0.000 1.047 286 K CA 2.878 59.151 56.287 -0.024 0.000 0.932 286 K CB -0.372 32.122 32.500 -0.010 0.000 0.716 286 K HN -0.736 7.472 8.250 -0.027 0.025 0.439 287 A N -0.941 121.849 122.820 -0.049 0.000 1.865 287 A HA -0.272 nan 4.320 nan 0.000 0.217 287 A C 2.429 179.973 177.584 -0.068 0.000 1.191 287 A CA 2.873 54.878 52.037 -0.053 0.000 0.623 287 A CB -0.739 18.227 19.000 -0.056 0.000 0.826 287 A HN -0.212 7.907 8.150 -0.051 0.000 0.444 288 M N -3.151 116.392 119.600 -0.096 0.000 2.260 288 M HA -0.397 nan 4.480 nan 0.000 0.261 288 M C 2.069 178.297 176.300 -0.120 0.000 1.066 288 M CA 3.863 59.085 55.300 -0.130 0.000 1.082 288 M CB -0.326 32.156 32.600 -0.198 0.000 1.388 288 M HN -0.246 7.984 8.290 -0.100 0.000 0.419 289 L N -2.651 118.519 121.223 -0.089 0.000 2.109 289 L HA -0.315 nan 4.340 nan 0.000 0.207 289 L C 2.121 178.968 176.870 -0.039 0.000 1.086 289 L CA 2.700 57.504 54.840 -0.060 0.000 0.760 289 L CB -0.532 41.506 42.059 -0.035 0.000 0.910 289 L HN -0.535 7.504 8.230 -0.080 0.143 0.437 290 Q N -0.845 118.933 119.800 -0.037 0.000 2.378 290 Q HA -0.243 nan 4.340 nan 0.000 0.205 290 Q C 2.209 178.191 176.000 -0.031 0.000 0.954 290 Q CA 2.776 58.562 55.803 -0.027 0.000 0.901 290 Q CB -0.271 28.453 28.738 -0.023 0.000 0.981 290 Q HN -0.149 7.991 8.270 -0.043 0.104 0.483 291 D N 1.796 122.171 120.400 -0.042 0.000 2.113 291 D HA -0.162 nan 4.640 nan 0.000 0.206 291 D C 2.214 178.496 176.300 -0.031 0.000 0.979 291 D CA 3.302 57.278 54.000 -0.040 0.000 0.862 291 D CB -0.204 40.563 40.800 -0.055 0.000 1.013 291 D HN 0.032 8.216 8.370 -0.053 0.154 0.455 292 I N 0.209 120.757 120.570 -0.037 0.000 2.229 292 I HA -0.593 nan 4.170 nan 0.000 0.250 292 I C 1.626 177.741 176.117 -0.004 0.000 1.096 292 I CA 3.730 65.025 61.300 -0.008 0.000 1.358 292 I CB -0.428 37.569 38.000 -0.004 0.000 1.047 292 I HN 0.146 8.214 8.210 -0.062 0.104 0.422 293 A N -1.347 121.464 122.820 -0.014 0.000 1.841 293 A HA -0.385 nan 4.320 nan 0.000 0.216 293 A C 1.497 179.068 177.584 -0.021 0.000 1.199 293 A CA 3.668 55.696 52.037 -0.015 0.000 0.621 293 A CB -1.023 17.968 19.000 -0.015 0.000 0.835 293 A HN -0.029 7.931 8.150 -0.022 0.178 0.445 294 T N -2.096 112.445 114.554 -0.021 0.000 2.822 294 T HA -0.357 nan 4.350 nan 0.000 0.270 294 T C 1.508 176.195 174.700 -0.022 0.000 1.064 294 T CA 2.948 65.035 62.100 -0.022 0.000 1.131 294 T CB -0.584 68.272 68.868 -0.020 0.000 0.858 294 T HN -0.269 7.789 8.240 -0.021 0.169 0.483 295 L N 0.403 121.616 121.223 -0.017 0.000 1.973 295 L HA -0.122 nan 4.340 nan 0.000 0.208 295 L C 1.249 178.107 176.870 -0.020 0.000 1.073 295 L CA 2.206 57.039 54.840 -0.012 0.000 0.746 295 L CB -0.283 41.777 42.059 0.003 0.000 0.891 295 L HN -0.024 8.066 8.230 -0.015 0.131 0.433 296 T N -2.786 111.755 114.554 -0.022 0.000 3.160 296 T HA -0.047 nan 4.350 nan 0.000 0.257 296 T C 0.902 175.558 174.700 -0.075 0.000 1.147 296 T CA 2.151 64.225 62.100 -0.043 0.000 1.064 296 T CB -0.210 68.639 68.868 -0.032 0.000 0.949 296 T HN 0.316 8.442 8.240 -0.013 0.106 0.526 297 G N -1.453 107.311 108.800 -0.061 0.000 2.307 297 G HA2 -0.343 nan 3.960 nan 0.000 0.210 297 G HA3 -0.343 nan 3.960 nan 0.000 0.210 297 G C 0.046 174.912 174.900 -0.057 0.000 1.005 297 G CA -0.022 45.034 45.100 -0.072 0.000 0.634 297 G HN -0.012 8.076 8.290 -0.043 0.176 0.496 298 G N 0.782 109.552 108.800 -0.050 0.000 2.699 298 G HA2 -0.534 nan 3.960 nan 0.000 0.351 298 G HA3 -0.534 nan 3.960 nan 0.000 0.351 298 G C 0.728 175.612 174.900 -0.027 0.000 1.191 298 G CA 1.453 46.534 45.100 -0.031 0.000 0.953 298 G HN -0.271 7.895 8.290 -0.053 0.092 0.557 299 T N -3.923 110.620 114.554 -0.019 0.000 12.380 299 T HA -0.404 nan 4.350 nan 0.000 0.415 299 T C 0.623 175.322 174.700 -0.002 0.000 1.471 299 T CA 1.707 63.800 62.100 -0.012 0.000 2.420 299 T CB -0.829 68.031 68.868 -0.013 0.000 2.818 299 T HN 0.249 8.477 8.240 -0.020 0.000 0.798 300 V N 3.866 123.781 119.914 0.001 0.000 2.924 300 V HA -0.053 nan 4.120 nan 0.000 0.305 300 V C -0.259 175.840 176.094 0.008 0.000 1.073 300 V CA 1.617 63.924 62.300 0.011 0.000 1.098 300 V CB 0.604 32.439 31.823 0.020 0.000 1.000 300 V HN 0.051 8.162 8.190 -0.003 0.077 0.484 301 I N -4.031 116.546 120.570 0.013 0.000 3.331 301 I HA -0.032 nan 4.170 nan 0.000 0.380 301 I C -0.052 176.075 176.117 0.016 0.000 0.924 301 I CA -0.269 61.038 61.300 0.011 0.000 0.991 301 I CB -0.806 37.197 38.000 0.004 0.000 3.277 301 I HN 0.076 8.296 8.210 0.017 0.000 0.916 302 S N 0.975 116.687 115.700 0.020 0.000 0.000 302 S HA -0.329 nan 4.470 nan 0.000 0.000 302 S C 0.834 175.446 174.600 0.021 0.000 0.000 302 S CA 1.580 59.794 58.200 0.023 0.000 0.000 302 S CB 0.340 63.557 63.200 0.029 0.000 0.000 302 S HN -0.031 8.292 8.310 0.022 0.000 0.000 303 E N -1.078 nan 120.200 nan 0.000 0.000 303 E HA 0.691 5.041 4.350 0.000 0.000 0.000 303 E C -1.135 nan 176.600 nan 0.000 0.000 303 E CA -0.133 56.281 56.400 0.022 0.000 0.000 303 E CB 0.534 nan 29.700 nan 0.000 0.000 303 E HN 0.706 nan 8.360 nan 0.000 0.000 304 E N -2.402 nan 120.200 nan 0.000 0.000 304 E HA 1.076 5.426 4.350 0.000 0.000 0.000 304 E C -0.112 nan 176.600 nan 0.000 0.000 304 E CA 0.266 56.674 56.400 0.013 0.000 0.000 304 E CB -0.585 nan 29.700 nan 0.000 0.000 304 E HN 2.555 nan 8.360 nan 0.000 0.000 305 I N -2.592 nan 120.570 nan 0.000 0.000 305 I HA 0.927 5.097 4.170 0.000 0.000 0.000 305 I C 0.456 nan 176.117 nan 0.000 0.000 305 I CA 0.424 61.733 61.300 0.015 0.000 0.000 305 I CB 0.911 nan 38.000 nan 0.000 0.000 305 I HN 2.362 nan 8.210 nan 0.000 0.000 306 G N -1.302 nan 108.800 nan 0.000 0.000 306 G HA2 1.061 5.021 3.960 0.000 0.000 0.000 306 G HA3 1.061 5.021 3.960 0.000 0.000 0.000 306 G C -0.786 nan 174.900 nan 0.000 0.000 306 G CA 0.757 45.863 45.100 0.010 0.000 0.000 306 G HN 3.247 nan 8.290 nan 0.000 0.000 307 M N -2.506 nan 119.600 nan 0.000 0.000 307 M HA 1.158 5.638 4.480 0.000 0.000 0.000 307 M C -0.399 nan 176.300 nan 0.000 0.000 307 M CA 1.124 56.430 55.300 0.009 0.000 0.000 307 M CB 0.227 nan 32.600 nan 0.000 0.000 307 M HN 3.031 nan 8.290 nan 0.000 0.000 308 E N -1.942 nan 120.200 nan 0.000 0.000 308 E HA 1.175 5.525 4.350 0.000 0.000 0.000 308 E C -0.782 nan 176.600 nan 0.000 0.000 308 E CA 0.154 56.562 56.400 0.013 0.000 0.000 308 E CB -0.544 nan 29.700 nan 0.000 0.000 308 E HN 3.066 nan 8.360 nan 0.000 0.000 309 L N -3.435 nan 121.223 nan 0.000 0.000 309 L HA 1.140 5.480 4.340 0.000 0.000 0.000 309 L C 0.040 nan 176.870 nan 0.000 0.000 309 L CA 0.811 55.660 54.840 0.016 0.000 0.000 309 L CB 0.058 nan 42.059 nan 0.000 0.000 309 L HN 2.716 nan 8.230 nan 0.000 0.000 310 E N -1.642 nan 120.200 nan 0.000 0.000 310 E HA 1.161 5.511 4.350 0.000 0.000 0.000 310 E C -0.280 nan 176.600 nan 0.000 0.000 310 E CA 0.715 57.129 56.400 0.022 0.000 0.000 310 E CB 0.273 nan 29.700 nan 0.000 0.000 310 E HN 3.021 nan 8.360 nan 0.000 0.000 311 K N -1.807 nan 120.400 nan 0.000 0.000 311 K HA 1.106 5.426 4.320 0.000 0.000 0.000 311 K C -0.470 nan 176.600 nan 0.000 0.000 311 K CA 0.501 56.801 56.287 0.021 0.000 0.000 311 K CB 0.218 nan 32.500 nan 0.000 0.000 311 K HN 2.515 nan 8.250 nan 0.000 0.000 312 A N -1.770 nan 122.820 nan 0.000 0.000 312 A HA 1.162 5.482 4.320 0.000 0.000 0.000 312 A C 0.194 nan 177.584 nan 0.000 0.000 312 A CA 1.067 53.113 52.037 0.016 0.000 0.000 312 A CB -0.035 nan 19.000 nan 0.000 0.000 312 A HN 2.895 nan 8.150 nan 0.000 0.000 313 T N -2.681 nan 114.554 nan 0.000 0.000 313 T HA 0.995 5.345 4.350 0.000 0.000 0.000 313 T C -0.309 nan 174.700 nan 0.000 0.000 313 T CA 0.555 62.668 62.100 0.022 0.000 0.000 313 T CB -0.652 nan 68.868 nan 0.000 0.000 313 T HN 2.731 nan 8.240 nan 0.000 0.000 314 L N -1.210 nan 121.223 nan 0.000 0.000 314 L HA 0.979 5.319 4.340 0.000 0.000 0.000 314 L C -0.070 nan 176.870 nan 0.000 0.000 314 L CA 0.549 55.408 54.840 0.032 0.000 0.000 314 L CB 0.514 nan 42.059 nan 0.000 0.000 314 L HN 1.358 nan 8.230 nan 0.000 0.000 315 E N -1.647 118.585 120.200 0.054 0.000 0.000 315 E HA 0.025 4.375 4.350 0.000 0.000 0.000 315 E C -0.422 176.246 176.600 0.113 0.000 0.000 315 E CA 1.201 57.652 56.400 0.085 0.000 0.000 315 E CB 0.387 30.138 29.700 0.084 0.000 0.000 315 E HN 0.944 9.332 8.360 0.047 0.000 0.000 316 D N 0.190 120.642 120.400 0.085 0.000 3.965 316 D HA -0.394 nan 4.640 nan 0.000 0.448 316 D C 0.192 176.527 176.300 0.058 0.000 0.565 316 D CA 1.233 55.269 54.000 0.060 0.000 1.052 316 D CB -0.799 40.020 40.800 0.031 0.000 0.319 316 D HN 0.175 8.588 8.370 0.070 0.000 0.258 317 L N -2.849 118.396 121.223 0.037 0.000 5.621 317 L HA -0.448 nan 4.340 nan 0.000 0.281 317 L C -0.886 175.908 176.870 -0.127 0.000 1.106 317 L CA 0.623 55.465 54.840 0.003 0.000 1.259 317 L CB -0.389 41.752 42.059 0.137 0.000 2.049 317 L HN 0.168 8.420 8.230 0.037 0.000 0.852 318 G N -4.983 103.710 108.800 -0.178 0.000 2.600 318 G HA2 0.479 nan 3.960 nan 0.000 0.303 318 G HA3 0.479 nan 3.960 nan 0.000 0.303 318 G C -1.008 173.635 174.900 -0.429 0.000 1.253 318 G CA -0.554 44.408 45.100 -0.230 0.000 0.974 318 G HN -0.482 7.746 8.290 -0.103 0.000 0.483 319 Q N 0.423 120.001 119.800 -0.370 0.000 2.596 319 Q HA 0.011 nan 4.340 nan 0.000 0.190 319 Q C -0.382 175.553 176.000 -0.107 0.000 0.905 319 Q CA -0.428 55.145 55.803 -0.383 0.000 0.846 319 Q CB 1.575 30.103 28.738 -0.350 0.000 1.117 319 Q HN 0.653 8.775 8.270 -0.246 0.000 0.630 320 A N -1.776 120.999 122.820 -0.074 0.000 2.435 320 A HA -0.265 nan 4.320 nan 0.000 0.686 320 A C -0.943 176.643 177.584 0.003 0.000 0.138 320 A CA 0.240 52.263 52.037 -0.024 0.000 0.024 320 A CB -0.173 18.821 19.000 -0.009 0.000 3.974 320 A HN -0.526 7.565 8.150 -0.097 0.000 0.548 321 K N 1.614 122.015 120.400 0.002 0.000 2.031 321 K HA -0.318 nan 4.320 nan 0.000 0.205 321 K C -1.384 175.223 176.600 0.012 0.000 1.049 321 K CA 1.938 58.231 56.287 0.010 0.000 0.939 321 K CB 0.911 33.413 32.500 0.003 0.000 0.717 321 K HN 0.021 8.400 8.250 -0.005 -0.132 0.438 322 R N -6.927 113.575 120.500 0.003 0.000 2.710 322 R HA 0.527 nan 4.340 nan 0.000 0.270 322 R C -2.030 174.261 176.300 -0.015 0.000 1.021 322 R CA -0.895 55.203 56.100 -0.003 0.000 0.889 322 R CB 4.420 34.716 30.300 -0.007 0.000 1.243 322 R HN -0.876 7.393 8.270 -0.001 0.000 0.464 323 V N -0.353 119.546 119.914 -0.025 0.000 2.962 323 V HA 0.481 nan 4.120 nan 0.000 0.313 323 V C -1.278 174.780 176.094 -0.059 0.000 1.099 323 V CA -1.129 61.141 62.300 -0.050 0.000 0.971 323 V CB 3.718 35.509 31.823 -0.053 0.000 1.028 323 V HN 0.196 8.373 8.190 -0.021 0.000 0.430 324 V N 1.411 121.274 119.914 -0.086 0.000 3.070 324 V HA 0.216 nan 4.120 nan 0.000 0.355 324 V C -0.291 175.729 176.094 -0.124 0.000 1.400 324 V CA -0.850 61.400 62.300 -0.083 0.000 1.170 324 V CB -0.108 31.678 31.823 -0.062 0.000 1.169 324 V HN 0.212 8.337 8.190 -0.109 0.000 0.554 325 I N 1.049 121.528 120.570 -0.152 0.000 3.331 325 I HA -0.296 nan 4.170 nan 0.000 0.305 325 I C -0.764 175.180 176.117 -0.288 0.000 1.229 325 I CA 1.518 62.695 61.300 -0.205 0.000 1.406 325 I CB -0.004 37.903 38.000 -0.155 0.000 1.310 325 I HN -0.292 7.837 8.210 -0.136 0.000 0.579 326 N N 1.413 119.839 118.700 -0.456 0.000 3.836 326 N HA 0.088 nan 4.740 nan 0.000 0.229 326 N C -2.079 172.973 175.510 -0.764 0.000 1.375 326 N CA -0.554 52.009 53.050 -0.813 0.000 0.838 326 N CB 1.704 39.924 38.487 -0.444 0.000 1.447 326 N HN -0.181 7.976 8.380 -0.371 0.000 0.458 327 K N -0.929 118.994 120.400 -0.794 0.000 2.412 327 K HA -0.119 nan 4.320 nan 0.000 0.281 327 K C -0.719 175.804 176.600 -0.127 0.000 1.027 327 K CA 1.524 57.697 56.287 -0.190 0.000 0.989 327 K CB -0.391 32.168 32.500 0.098 0.000 0.935 327 K HN 0.372 8.055 8.250 -0.944 0.000 0.475 328 D N -2.342 118.027 120.400 -0.052 0.000 2.074 328 D HA -0.242 nan 4.640 nan 0.000 0.214 328 D C -0.939 175.330 176.300 -0.051 0.000 1.279 328 D CA 2.005 55.985 54.000 -0.033 0.000 1.539 328 D CB -0.733 40.041 40.800 -0.043 0.000 1.415 328 D HN 0.689 9.114 8.370 -0.005 -0.058 0.630 329 T N -3.817 110.665 114.554 -0.120 0.000 2.742 329 T HA 0.430 nan 4.350 nan 0.000 0.282 329 T C -2.121 172.417 174.700 -0.269 0.000 1.025 329 T CA -1.518 60.486 62.100 -0.159 0.000 1.020 329 T CB 3.987 72.775 68.868 -0.134 0.000 1.317 329 T HN -0.678 7.483 8.240 -0.162 -0.018 0.538 330 T N 2.189 116.520 114.554 -0.372 0.000 4.445 330 T HA 0.152 nan 4.350 nan 0.000 0.365 330 T C -2.487 171.929 174.700 -0.473 0.000 0.885 330 T CA 0.420 62.233 62.100 -0.477 0.000 0.987 330 T CB 1.435 69.883 68.868 -0.700 0.000 1.150 330 T HN 0.051 8.090 8.240 -0.335 0.000 0.464 331 T N 5.166 119.564 114.554 -0.261 0.000 2.832 331 T HA 0.446 nan 4.350 nan 0.000 0.313 331 T C -0.106 174.535 174.700 -0.099 0.000 1.035 331 T CA -2.458 59.547 62.100 -0.158 0.000 0.950 331 T CB 0.001 68.813 68.868 -0.092 0.000 0.984 331 T HN 0.164 8.275 8.240 -0.216 0.000 0.486 332 I N 7.436 127.971 120.570 -0.060 0.000 2.389 332 I HA -0.062 nan 4.170 nan 0.000 0.295 332 I C 0.276 176.390 176.117 -0.005 0.000 1.117 332 I CA 0.391 61.685 61.300 -0.011 0.000 1.317 332 I CB -0.374 37.652 38.000 0.044 0.000 1.431 332 I HN 0.466 8.713 8.210 -0.058 -0.072 0.521 333 I N 8.079 128.641 120.570 -0.013 0.000 2.439 333 I HA -0.251 nan 4.170 nan 0.000 0.251 333 I C -0.524 175.590 176.117 -0.005 0.000 1.139 333 I CA 2.539 63.834 61.300 -0.010 0.000 1.438 333 I CB 0.423 38.414 38.000 -0.014 0.000 1.085 333 I HN -0.005 8.193 8.210 -0.020 0.000 0.427 334 D N -1.166 119.231 120.400 -0.005 0.000 2.365 334 D HA 0.095 nan 4.640 nan 0.000 0.235 334 D C -0.208 176.085 176.300 -0.011 0.000 1.368 334 D CA -0.825 53.171 54.000 -0.007 0.000 1.001 334 D CB 2.152 42.948 40.800 -0.007 0.000 1.364 334 D HN -0.621 7.746 8.370 -0.005 0.000 0.577 335 G N 2.960 111.754 108.800 -0.010 0.000 2.684 335 G HA2 0.232 nan 3.960 nan 0.000 0.255 335 G HA3 0.232 nan 3.960 nan 0.000 0.255 335 G C -0.242 174.642 174.900 -0.027 0.000 1.219 335 G CA -0.109 44.981 45.100 -0.017 0.000 0.901 335 G HN 0.208 8.357 8.290 -0.006 0.137 0.548 336 V N -5.527 114.364 119.914 -0.038 0.000 3.392 336 V HA 0.246 nan 4.120 nan 0.000 0.294 336 V C 0.500 176.568 176.094 -0.042 0.000 1.561 336 V CA -0.496 61.778 62.300 -0.045 0.000 1.056 336 V CB 0.792 32.573 31.823 -0.070 0.000 0.882 336 V HN -0.473 7.693 8.190 -0.040 0.000 0.440 337 G N 1.409 110.187 108.800 -0.037 0.000 2.365 337 G HA2 -0.103 nan 3.960 nan 0.000 0.249 337 G HA3 -0.103 nan 3.960 nan 0.000 0.249 337 G C -0.644 174.241 174.900 -0.025 0.000 1.288 337 G CA -0.087 44.994 45.100 -0.033 0.000 0.887 337 G HN -0.474 7.796 8.290 -0.034 0.000 0.524 338 E N 4.470 124.656 120.200 -0.023 0.000 2.734 338 E HA -0.338 nan 4.350 nan 0.000 0.235 338 E C 0.789 177.380 176.600 -0.015 0.000 1.107 338 E CA 0.468 56.857 56.400 -0.018 0.000 0.951 338 E CB -0.512 29.178 29.700 -0.016 0.000 0.955 338 E HN 0.047 8.391 8.360 -0.026 0.000 0.515 339 E N 7.517 127.708 120.200 -0.014 0.000 2.240 339 E HA -0.550 nan 4.350 nan 0.000 0.236 339 E C 1.480 178.073 176.600 -0.011 0.000 1.085 339 E CA 3.654 60.047 56.400 -0.012 0.000 0.979 339 E CB 0.083 29.777 29.700 -0.010 0.000 0.845 339 E HN 0.083 8.434 8.360 -0.014 0.000 0.483 340 A N -2.146 120.668 122.820 -0.010 0.000 1.927 340 A HA -0.265 nan 4.320 nan 0.000 0.220 340 A C 2.082 179.660 177.584 -0.011 0.000 1.185 340 A CA 2.813 54.844 52.037 -0.010 0.000 0.639 340 A CB -1.055 17.940 19.000 -0.009 0.000 0.820 340 A HN 0.258 8.402 8.150 -0.010 0.000 0.451 341 A N -1.147 121.666 122.820 -0.012 0.000 1.865 341 A HA -0.297 nan 4.320 nan 0.000 0.217 341 A C 2.142 179.718 177.584 -0.014 0.000 1.191 341 A CA 2.884 54.913 52.037 -0.013 0.000 0.623 341 A CB -0.800 18.191 19.000 -0.015 0.000 0.826 341 A HN 0.181 8.227 8.150 -0.012 0.096 0.444 342 I N -2.499 118.063 120.570 -0.014 0.000 2.530 342 I HA -0.595 nan 4.170 nan 0.000 0.257 342 I C 2.062 178.172 176.117 -0.012 0.000 1.179 342 I CA 3.410 64.702 61.300 -0.014 0.000 1.440 342 I CB -0.353 37.639 38.000 -0.013 0.000 1.087 342 I HN -0.511 7.632 8.210 -0.015 0.059 0.440 343 Q N -0.779 119.014 119.800 -0.011 0.000 2.016 343 Q HA -0.284 nan 4.340 nan 0.000 0.200 343 Q C 2.728 178.722 176.000 -0.011 0.000 0.978 343 Q CA 3.392 59.188 55.803 -0.010 0.000 0.833 343 Q CB -0.254 28.479 28.738 -0.009 0.000 0.895 343 Q HN 0.466 8.539 8.270 -0.011 0.190 0.427 344 G N -1.975 106.819 108.800 -0.011 0.000 2.501 344 G HA2 -0.344 nan 3.960 nan 0.000 0.220 344 G HA3 -0.344 nan 3.960 nan 0.000 0.220 344 G C 1.563 176.456 174.900 -0.012 0.000 1.114 344 G CA 1.615 46.709 45.100 -0.011 0.000 0.757 344 G HN 0.373 8.657 8.290 -0.011 0.000 0.559 345 R N 1.066 121.558 120.500 -0.014 0.000 2.055 345 R HA -0.172 nan 4.340 nan 0.000 0.228 345 R C 2.204 178.494 176.300 -0.017 0.000 1.143 345 R CA 1.585 57.675 56.100 -0.016 0.000 0.945 345 R CB -1.328 28.961 30.300 -0.018 0.000 0.841 345 R HN -0.543 7.552 8.270 -0.013 0.167 0.429 346 V N -0.025 119.879 119.914 -0.016 0.000 2.231 346 V HA -0.381 nan 4.120 nan 0.000 0.250 346 V C 2.007 178.092 176.094 -0.015 0.000 1.058 346 V CA 3.838 66.129 62.300 -0.016 0.000 1.022 346 V CB -0.995 30.820 31.823 -0.014 0.000 0.640 346 V HN -0.591 7.591 8.190 -0.015 0.000 0.445 347 A N -2.519 120.293 122.820 -0.013 0.000 1.917 347 A HA -0.490 nan 4.320 nan 0.000 0.219 347 A C 1.704 179.281 177.584 -0.011 0.000 1.182 347 A CA 3.474 55.504 52.037 -0.011 0.000 0.633 347 A CB -0.909 18.085 19.000 -0.009 0.000 0.819 347 A HN -0.019 8.123 8.150 -0.012 0.000 0.448 348 Q N -0.561 119.231 119.800 -0.012 0.000 2.061 348 Q HA -0.305 nan 4.340 nan 0.000 0.204 348 Q C 2.473 178.465 176.000 -0.014 0.000 0.984 348 Q CA 3.050 58.845 55.803 -0.012 0.000 0.846 348 Q CB -0.379 28.351 28.738 -0.013 0.000 0.902 348 Q HN -0.574 7.598 8.270 -0.013 0.090 0.421 349 I N 0.065 120.625 120.570 -0.017 0.000 2.252 349 I HA -0.520 nan 4.170 nan 0.000 0.245 349 I C 1.890 177.996 176.117 -0.017 0.000 1.102 349 I CA 3.751 65.039 61.300 -0.020 0.000 1.385 349 I CB -0.398 37.586 38.000 -0.025 0.000 1.064 349 I HN -0.267 7.851 8.210 -0.017 0.082 0.414 350 R N -0.649 119.841 120.500 -0.016 0.000 2.094 350 R HA -0.489 nan 4.340 nan 0.000 0.239 350 R C 2.656 178.949 176.300 -0.010 0.000 1.137 350 R CA 4.239 60.331 56.100 -0.013 0.000 0.943 350 R CB -0.360 29.933 30.300 -0.012 0.000 0.850 350 R HN 0.200 8.279 8.270 -0.016 0.182 0.433 351 Q N -1.550 118.244 119.800 -0.009 0.000 2.030 351 Q HA -0.346 nan 4.340 nan 0.000 0.204 351 Q C 2.927 178.923 176.000 -0.007 0.000 0.986 351 Q CA 2.991 58.790 55.803 -0.007 0.000 0.843 351 Q CB -0.280 28.454 28.738 -0.007 0.000 0.904 351 Q HN 0.243 8.402 8.270 -0.010 0.106 0.420 352 Q N -0.350 119.445 119.800 -0.009 0.000 2.156 352 Q HA -0.399 nan 4.340 nan 0.000 0.211 352 Q C 2.918 178.915 176.000 -0.006 0.000 0.995 352 Q CA 3.013 58.812 55.803 -0.008 0.000 0.877 352 Q CB -0.224 28.508 28.738 -0.011 0.000 0.920 352 Q HN 0.029 8.134 8.270 -0.010 0.159 0.416 353 I N -1.146 119.419 120.570 -0.008 0.000 2.194 353 I HA -0.531 nan 4.170 nan 0.000 0.246 353 I C 2.326 178.442 176.117 -0.001 0.000 1.093 353 I CA 3.461 64.758 61.300 -0.005 0.000 1.355 353 I CB -0.587 37.408 38.000 -0.009 0.000 1.046 353 I HN 0.274 8.469 8.210 -0.011 0.008 0.413 354 E N 1.067 121.265 120.200 -0.002 0.000 2.130 354 E HA -0.278 nan 4.350 nan 0.000 0.196 354 E C 0.904 177.505 176.600 0.001 0.000 0.998 354 E CA 2.904 59.304 56.400 -0.001 0.000 0.806 354 E CB -0.045 29.654 29.700 -0.002 0.000 0.738 354 E HN 0.280 8.529 8.360 -0.004 0.109 0.459 355 E N -4.002 116.198 120.200 0.000 0.000 2.444 355 E HA 0.064 nan 4.350 nan 0.000 0.191 355 E C -0.167 176.435 176.600 0.004 0.000 1.041 355 E CA -1.230 55.171 56.400 0.002 0.000 0.883 355 E CB -0.383 29.317 29.700 0.000 0.000 1.024 355 E HN -0.243 8.007 8.360 -0.001 0.109 0.470 356 A N 0.958 123.782 122.820 0.006 0.000 2.728 356 A HA 0.068 nan 4.320 nan 0.000 0.258 356 A C -0.446 177.148 177.584 0.017 0.000 1.454 356 A CA -0.433 51.611 52.037 0.012 0.000 1.146 356 A CB -1.768 17.238 19.000 0.012 0.000 0.985 356 A HN -0.027 7.879 8.150 0.004 0.247 0.603 357 T N -3.233 111.328 114.554 0.012 0.000 12.844 357 T HA -0.495 nan 4.350 nan 0.000 0.417 357 T C 0.427 175.136 174.700 0.014 0.000 1.443 357 T CA 2.396 64.503 62.100 0.012 0.000 2.363 357 T CB -1.138 67.737 68.868 0.011 0.000 2.817 357 T HN 0.054 8.182 8.240 0.009 0.117 0.709 358 S N 1.468 117.180 115.700 0.021 0.000 3.930 358 S HA 0.118 nan 4.470 nan 0.000 0.291 358 S C -2.289 172.338 174.600 0.045 0.000 1.078 358 S CA -0.770 57.446 58.200 0.026 0.000 1.259 358 S CB 1.580 64.790 63.200 0.016 0.000 1.724 358 S HN -0.438 7.888 8.310 0.026 0.000 0.513 359 D N 2.517 122.941 120.400 0.040 0.000 7.686 359 D HA -0.275 nan 4.640 nan 0.000 0.091 359 D C 0.469 176.858 176.300 0.148 0.000 1.019 359 D CA 1.388 55.419 54.000 0.051 0.000 0.815 359 D CB -0.331 40.463 40.800 -0.011 0.000 1.611 359 D HN 0.155 8.541 8.370 0.025 0.000 0.915 360 Y N 3.610 123.904 120.300 -0.009 0.000 3.298 360 Y HA -0.654 nan 4.550 nan 0.000 0.479 360 Y C -0.358 175.531 175.900 -0.019 0.000 0.905 360 Y CA 1.997 60.089 58.100 -0.012 0.000 2.986 360 Y CB -1.171 37.282 38.460 -0.011 0.000 0.768 360 Y HN 0.181 8.567 8.280 0.177 0.000 0.564 361 D N -1.659 118.995 120.400 0.424 0.000 2.411 361 D HA -0.351 nan 4.640 nan 0.000 0.226 361 D C 1.884 178.184 176.300 0.000 0.000 0.988 361 D CA 2.434 56.535 54.000 0.169 0.000 0.938 361 D CB -1.114 39.788 40.800 0.170 0.000 0.883 361 D HN 0.465 8.994 8.370 0.382 0.070 0.525 362 R N -0.350 120.151 120.500 0.002 0.000 2.173 362 R HA -0.115 nan 4.340 nan 0.000 0.208 362 R C 1.436 177.692 176.300 -0.074 0.000 1.035 362 R CA 1.694 57.779 56.100 -0.026 0.000 1.004 362 R CB -0.197 30.101 30.300 -0.003 0.000 0.917 362 R HN -0.066 8.153 8.270 0.052 0.082 0.462 363 E N -0.401 119.722 120.200 -0.127 0.000 2.012 363 E HA -0.328 nan 4.350 nan 0.000 0.197 363 E C 2.123 178.608 176.600 -0.192 0.000 1.007 363 E CA 3.085 59.378 56.400 -0.178 0.000 0.816 363 E CB -0.678 28.853 29.700 -0.281 0.000 0.762 363 E HN 0.267 8.418 8.360 -0.112 0.141 0.451 364 K N -1.951 118.288 120.400 -0.268 0.000 2.147 364 K HA -0.239 nan 4.320 nan 0.000 0.205 364 K C 2.411 178.936 176.600 -0.125 0.000 1.049 364 K CA 2.775 58.940 56.287 -0.203 0.000 0.936 364 K CB -0.674 31.691 32.500 -0.226 0.000 0.722 364 K HN -0.575 7.437 8.250 -0.398 0.000 0.446 365 L N -3.334 117.828 121.223 -0.102 0.000 2.610 365 L HA -0.189 nan 4.340 nan 0.000 0.232 365 L C 0.217 177.054 176.870 -0.055 0.000 1.149 365 L CA 1.181 55.982 54.840 -0.065 0.000 0.872 365 L CB -0.576 41.457 42.059 -0.044 0.000 0.992 365 L HN -0.529 7.515 8.230 -0.113 0.118 0.447 366 Q N -3.279 116.483 119.800 -0.063 0.000 2.423 366 Q HA -0.026 nan 4.340 nan 0.000 0.231 366 Q C 1.740 177.710 176.000 -0.050 0.000 0.894 366 Q CA 1.416 57.190 55.803 -0.048 0.000 0.938 366 Q CB 1.320 30.032 28.738 -0.044 0.000 1.079 366 Q HN -0.055 7.964 8.270 -0.083 0.201 0.552 367 E N 1.218 121.378 120.200 -0.067 0.000 2.158 367 E HA -0.235 nan 4.350 nan 0.000 0.191 367 E C 1.942 178.509 176.600 -0.055 0.000 0.982 367 E CA 2.505 58.868 56.400 -0.061 0.000 0.823 367 E CB 0.164 29.814 29.700 -0.083 0.000 0.766 367 E HN 0.360 8.479 8.360 -0.086 0.189 0.468 368 R N -1.721 118.740 120.500 -0.065 0.000 2.297 368 R HA -0.006 nan 4.340 nan 0.000 0.197 368 R C 1.684 177.957 176.300 -0.045 0.000 0.943 368 R CA 1.654 57.718 56.100 -0.061 0.000 1.038 368 R CB 0.525 30.779 30.300 -0.077 0.000 0.957 368 R HN -0.015 8.105 8.270 -0.074 0.105 0.484 369 V N -6.358 113.533 119.914 -0.038 0.000 2.992 369 V HA 0.251 nan 4.120 nan 0.000 0.250 369 V C 0.874 176.955 176.094 -0.020 0.000 1.090 369 V CA 1.345 63.628 62.300 -0.028 0.000 1.101 369 V CB -0.383 31.425 31.823 -0.026 0.000 0.743 369 V HN -0.756 7.362 8.190 -0.041 0.047 0.468 370 A N 0.373 123.181 122.820 -0.020 0.000 2.019 370 A HA -0.251 nan 4.320 nan 0.000 0.219 370 A C 0.887 178.469 177.584 -0.004 0.000 1.164 370 A CA 3.165 55.195 52.037 -0.012 0.000 0.644 370 A CB -0.729 18.263 19.000 -0.013 0.000 0.805 370 A HN -0.437 7.697 8.150 -0.027 0.000 0.449 371 K N -4.033 116.364 120.400 -0.004 0.000 2.098 371 K HA -0.128 nan 4.320 nan 0.000 0.203 371 K C 2.186 178.791 176.600 0.009 0.000 1.051 371 K CA 2.342 58.636 56.287 0.011 0.000 0.957 371 K CB -0.073 32.437 32.500 0.015 0.000 0.738 371 K HN -0.306 7.893 8.250 -0.013 0.043 0.447 372 L N -0.614 120.608 121.223 -0.003 0.000 2.007 372 L HA -0.137 nan 4.340 nan 0.000 0.205 372 L C 1.424 178.292 176.870 -0.004 0.000 1.073 372 L CA 2.230 57.068 54.840 -0.004 0.000 0.744 372 L CB 0.450 42.502 42.059 -0.012 0.000 0.898 372 L HN -0.592 7.632 8.230 -0.010 0.000 0.435 373 A N -2.546 120.270 122.820 -0.007 0.000 3.091 373 A HA -0.018 nan 4.320 nan 0.000 0.264 373 A C -0.731 176.851 177.584 -0.004 0.000 1.673 373 A CA 0.357 52.390 52.037 -0.007 0.000 1.362 373 A CB -1.933 17.062 19.000 -0.009 0.000 1.137 373 A HN 0.169 8.219 8.150 -0.010 0.094 0.617 374 G N -0.813 107.986 108.800 -0.001 0.000 3.990 374 G HA2 0.022 nan 3.960 nan 0.000 0.204 374 G HA3 0.022 nan 3.960 nan 0.000 0.204 374 G C -0.612 174.289 174.900 0.002 0.000 1.420 374 G CA 0.193 45.293 45.100 0.000 0.000 0.942 374 G HN -0.452 7.780 8.290 -0.001 0.058 0.606 375 G N 1.520 110.322 108.800 0.005 0.000 2.877 375 G HA2 -0.422 nan 3.960 nan 0.000 0.279 375 G HA3 -0.422 nan 3.960 nan 0.000 0.279 375 G C -1.468 173.436 174.900 0.006 0.000 1.431 375 G CA 0.000 45.103 45.100 0.005 0.000 0.883 375 G HN -0.779 7.515 8.290 0.006 0.000 0.547 376 V N -1.493 118.424 119.914 0.004 0.000 3.134 376 V HA 0.403 nan 4.120 nan 0.000 0.313 376 V C -0.590 175.503 176.094 -0.001 0.000 1.069 376 V CA -1.040 61.261 62.300 0.002 0.000 1.048 376 V CB 1.396 33.219 31.823 -0.000 0.000 1.119 376 V HN 0.186 8.378 8.190 0.003 0.000 0.461 377 A N 2.373 125.191 122.820 -0.003 0.000 2.646 377 A HA 0.439 nan 4.320 nan 0.000 0.312 377 A C -1.890 175.689 177.584 -0.009 0.000 1.245 377 A CA -1.010 51.023 52.037 -0.006 0.000 0.755 377 A CB 1.194 20.190 19.000 -0.006 0.000 1.132 377 A HN 0.093 8.241 8.150 -0.003 0.000 0.458 378 V N 5.304 125.213 119.914 -0.009 0.000 2.488 378 V HA 0.291 nan 4.120 nan 0.000 0.277 378 V C -1.053 175.033 176.094 -0.013 0.000 1.046 378 V CA 0.253 62.547 62.300 -0.011 0.000 0.986 378 V CB 0.704 32.521 31.823 -0.009 0.000 0.989 378 V HN 0.331 8.517 8.190 -0.008 0.000 0.475 379 I N 9.151 129.711 120.570 -0.017 0.000 2.336 379 I HA 0.262 nan 4.170 nan 0.000 0.292 379 I C -1.371 174.736 176.117 -0.018 0.000 0.991 379 I CA -0.780 60.509 61.300 -0.019 0.000 1.227 379 I CB 1.619 39.602 38.000 -0.027 0.000 1.366 379 I HN 0.587 8.679 8.210 -0.019 0.106 0.466 380 K N 7.508 127.899 120.400 -0.015 0.000 2.419 380 K HA 0.414 nan 4.320 nan 0.000 0.244 380 K C -0.435 176.157 176.600 -0.013 0.000 1.045 380 K CA -1.671 54.608 56.287 -0.013 0.000 1.004 380 K CB -0.861 31.633 32.500 -0.010 0.000 1.376 380 K HN 0.785 8.924 8.250 -0.014 0.103 0.460 381 V N 0.950 120.855 119.914 -0.015 0.000 3.209 381 V HA 0.003 nan 4.120 nan 0.000 0.305 381 V C -0.702 175.386 176.094 -0.011 0.000 1.127 381 V CA -0.148 62.143 62.300 -0.015 0.000 1.235 381 V CB 0.021 31.834 31.823 -0.017 0.000 0.987 381 V HN -0.558 7.622 8.190 -0.017 0.000 0.499 382 G N -1.709 107.085 108.800 -0.011 0.000 2.690 382 G HA2 0.408 nan 3.960 nan 0.000 0.293 382 G HA3 0.408 nan 3.960 nan 0.000 0.293 382 G C -2.880 172.015 174.900 -0.008 0.000 1.399 382 G CA -0.884 44.211 45.100 -0.008 0.000 0.890 382 G HN -0.439 7.931 8.290 -0.012 -0.087 0.485 383 A N -0.810 122.007 122.820 -0.006 0.000 4.989 383 A HA 0.198 nan 4.320 nan 0.000 0.238 383 A C -1.742 175.840 177.584 -0.005 0.000 0.962 383 A CA 0.472 52.506 52.037 -0.005 0.000 0.608 383 A CB 0.706 19.703 19.000 -0.005 0.000 1.893 383 A HN -0.421 7.726 8.150 -0.006 0.000 0.923 384 A N -1.590 121.228 122.820 -0.004 0.000 2.016 384 A HA 0.113 nan 4.320 nan 0.000 0.202 384 A C 0.003 177.586 177.584 -0.003 0.000 1.632 384 A CA 0.900 52.934 52.037 -0.003 0.000 0.891 384 A CB 0.474 19.472 19.000 -0.003 0.000 1.103 384 A HN 0.312 8.460 8.150 -0.004 0.000 0.547 385 T N 0.208 114.761 114.554 -0.003 0.000 2.909 385 T HA 0.140 nan 4.350 nan 0.000 0.289 385 T C 0.813 175.511 174.700 -0.003 0.000 1.005 385 T CA -0.368 61.730 62.100 -0.003 0.000 1.084 385 T CB 1.159 70.025 68.868 -0.002 0.000 0.975 385 T HN -0.370 7.868 8.240 -0.003 0.000 0.509 386 E N 3.192 123.391 120.200 -0.003 0.000 2.110 386 E HA -0.355 nan 4.350 nan 0.000 0.193 386 E C 1.635 178.234 176.600 -0.002 0.000 0.988 386 E CA 3.129 59.528 56.400 -0.003 0.000 0.804 386 E CB 0.062 29.760 29.700 -0.002 0.000 0.745 386 E HN 0.436 8.794 8.360 -0.002 0.000 0.458 387 V N 0.339 120.252 119.914 -0.002 0.000 2.214 387 V HA -0.325 nan 4.120 nan 0.000 0.247 387 V C 2.161 178.254 176.094 -0.002 0.000 1.051 387 V CA 3.947 66.246 62.300 -0.001 0.000 1.003 387 V CB -0.658 31.164 31.823 -0.001 0.000 0.635 387 V HN -0.018 8.171 8.190 -0.002 0.001 0.447 388 E N -1.278 118.921 120.200 -0.002 0.000 2.171 388 E HA -0.335 nan 4.350 nan 0.000 0.197 388 E C 2.356 178.954 176.600 -0.004 0.000 0.997 388 E CA 2.930 59.328 56.400 -0.003 0.000 0.810 388 E CB -0.451 29.247 29.700 -0.003 0.000 0.738 388 E HN 0.139 8.498 8.360 -0.002 0.000 0.467 389 M N -0.472 119.125 119.600 -0.004 0.000 2.229 389 M HA -0.233 nan 4.480 nan 0.000 0.264 389 M C 1.818 178.115 176.300 -0.005 0.000 1.063 389 M CA 2.720 58.017 55.300 -0.005 0.000 1.114 389 M CB -0.166 32.431 32.600 -0.004 0.000 1.387 389 M HN 0.266 8.306 8.290 -0.003 0.248 0.420 390 K N -0.276 120.122 120.400 -0.003 0.000 2.116 390 K HA -0.247 nan 4.320 nan 0.000 0.203 390 K C 2.214 178.813 176.600 -0.002 0.000 1.052 390 K CA 2.606 58.892 56.287 -0.002 0.000 0.952 390 K CB -0.586 31.914 32.500 -0.000 0.000 0.729 390 K HN 0.299 8.401 8.250 -0.002 0.146 0.446 391 E N -0.709 119.490 120.200 -0.002 0.000 2.106 391 E HA -0.314 nan 4.350 nan 0.000 0.192 391 E C 2.335 178.933 176.600 -0.004 0.000 0.984 391 E CA 3.323 59.722 56.400 -0.002 0.000 0.806 391 E CB -0.419 29.280 29.700 -0.001 0.000 0.750 391 E HN -0.518 7.841 8.360 -0.002 0.000 0.458 392 K N -0.220 120.176 120.400 -0.007 0.000 2.026 392 K HA -0.348 nan 4.320 nan 0.000 0.208 392 K C 1.739 178.330 176.600 -0.015 0.000 1.048 392 K CA 3.305 59.586 56.287 -0.011 0.000 0.929 392 K CB -0.080 32.414 32.500 -0.011 0.000 0.713 392 K HN -0.688 7.544 8.250 -0.006 0.014 0.439 393 K N -1.087 119.305 120.400 -0.013 0.000 2.044 393 K HA -0.354 nan 4.320 nan 0.000 0.210 393 K C 2.036 178.626 176.600 -0.016 0.000 1.049 393 K CA 3.121 59.399 56.287 -0.015 0.000 0.927 393 K CB -0.182 32.312 32.500 -0.009 0.000 0.713 393 K HN -0.762 7.482 8.250 -0.010 0.000 0.443 394 A N -1.925 120.891 122.820 -0.007 0.000 1.865 394 A HA -0.336 nan 4.320 nan 0.000 0.217 394 A C 2.388 179.968 177.584 -0.006 0.000 1.191 394 A CA 3.191 55.228 52.037 0.001 0.000 0.623 394 A CB -0.818 18.185 19.000 0.005 0.000 0.826 394 A HN -0.271 7.877 8.150 -0.005 -0.001 0.444 395 R N -2.131 118.363 120.500 -0.010 0.000 2.083 395 R HA -0.409 nan 4.340 nan 0.000 0.237 395 R C 2.375 178.655 176.300 -0.032 0.000 1.137 395 R CA 3.368 59.459 56.100 -0.014 0.000 0.951 395 R CB -0.275 30.017 30.300 -0.012 0.000 0.851 395 R HN -0.057 8.032 8.270 -0.008 0.176 0.434 396 V N 0.022 119.911 119.914 -0.043 0.000 2.223 396 V HA -0.459 nan 4.120 nan 0.000 0.244 396 V C 1.679 177.699 176.094 -0.124 0.000 1.045 396 V CA 4.533 66.793 62.300 -0.068 0.000 1.000 396 V CB -0.924 30.864 31.823 -0.058 0.000 0.635 396 V HN 0.634 8.695 8.190 -0.034 0.109 0.445 397 E N -1.193 118.931 120.200 -0.127 0.000 2.197 397 E HA -0.556 nan 4.350 nan 0.000 0.205 397 E C 2.129 178.508 176.600 -0.369 0.000 1.029 397 E CA 3.493 59.763 56.400 -0.217 0.000 0.828 397 E CB -0.302 29.362 29.700 -0.060 0.000 0.737 397 E HN -0.068 8.245 8.360 -0.079 0.000 0.464 398 D N -1.273 119.055 120.400 -0.120 0.000 2.075 398 D HA -0.230 nan 4.640 nan 0.000 0.196 398 D C 2.036 178.301 176.300 -0.060 0.000 0.985 398 D CA 3.096 57.092 54.000 -0.007 0.000 0.834 398 D CB 0.224 41.036 40.800 0.020 0.000 0.987 398 D HN -0.622 7.691 8.370 -0.070 0.015 0.452 399 A N -0.198 122.581 122.820 -0.069 0.000 1.978 399 A HA -0.235 nan 4.320 nan 0.000 0.220 399 A C 2.156 179.693 177.584 -0.078 0.000 1.170 399 A CA 2.817 54.824 52.037 -0.050 0.000 0.636 399 A CB -0.638 18.338 19.000 -0.040 0.000 0.810 399 A HN -0.112 8.000 8.150 -0.062 0.000 0.448 400 L N -2.583 118.536 121.223 -0.173 0.000 2.093 400 L HA -0.422 nan 4.340 nan 0.000 0.208 400 L C 1.285 178.086 176.870 -0.115 0.000 1.085 400 L CA 3.438 58.177 54.840 -0.169 0.000 0.755 400 L CB -0.152 41.759 42.059 -0.246 0.000 0.904 400 L HN 0.423 8.489 8.230 -0.226 0.028 0.435 401 H N -1.127 117.942 119.070 -0.003 0.000 2.293 401 H HA -0.382 nan 4.556 nan 0.000 0.300 401 H C 1.963 177.292 175.328 0.002 0.000 1.082 401 H CA 3.385 59.431 56.048 -0.002 0.000 1.308 401 H CB -0.326 29.434 29.762 -0.004 0.000 1.375 401 H HN -0.347 7.572 8.280 -0.416 0.111 0.495 402 A N -2.225 120.657 122.820 0.105 0.000 1.917 402 A HA -0.420 nan 4.320 nan 0.000 0.219 402 A C 2.009 179.617 177.584 0.041 0.000 1.182 402 A CA 3.352 55.425 52.037 0.061 0.000 0.633 402 A CB -0.923 18.100 19.000 0.039 0.000 0.819 402 A HN -0.396 7.808 8.150 0.091 0.000 0.448 403 T N 1.183 115.751 114.554 0.025 0.000 2.821 403 T HA -0.272 nan 4.350 nan 0.000 0.267 403 T C 2.099 176.814 174.700 0.023 0.000 1.046 403 T CA 4.566 66.675 62.100 0.016 0.000 1.139 403 T CB -0.553 68.316 68.868 0.001 0.000 0.871 403 T HN -0.247 8.001 8.240 0.013 0.000 0.454 404 R N 1.572 122.092 120.500 0.035 0.000 2.148 404 R HA -0.257 nan 4.340 nan 0.000 0.227 404 R C 1.606 177.930 176.300 0.039 0.000 1.103 404 R CA 2.186 58.309 56.100 0.039 0.000 0.983 404 R CB -0.794 29.541 30.300 0.058 0.000 0.874 404 R HN -0.401 7.893 8.270 0.040 0.000 0.451 405 A N -1.169 121.678 122.820 0.045 0.000 1.826 405 A HA -0.118 nan 4.320 nan 0.000 0.214 405 A C 2.097 179.699 177.584 0.031 0.000 1.212 405 A CA 2.572 54.633 52.037 0.039 0.000 0.605 405 A CB -0.734 18.293 19.000 0.044 0.000 0.861 405 A HN -0.448 7.612 8.150 0.053 0.122 0.447 406 A N -1.377 121.460 122.820 0.028 0.000 1.927 406 A HA -0.366 nan 4.320 nan 0.000 0.220 406 A C 2.164 179.759 177.584 0.019 0.000 1.185 406 A CA 3.095 55.146 52.037 0.022 0.000 0.639 406 A CB -0.689 18.323 19.000 0.020 0.000 0.820 406 A HN -0.092 8.076 8.150 0.031 0.000 0.451 407 V N -2.444 117.481 119.914 0.019 0.000 2.380 407 V HA -0.485 nan 4.120 nan 0.000 0.251 407 V C 1.966 178.070 176.094 0.015 0.000 1.063 407 V CA 3.804 66.113 62.300 0.015 0.000 1.055 407 V CB -0.937 30.895 31.823 0.014 0.000 0.657 407 V HN 0.195 8.279 8.190 0.021 0.118 0.455 408 E N -1.305 118.906 120.200 0.018 0.000 2.012 408 E HA -0.144 nan 4.350 nan 0.000 0.192 408 E C 1.726 178.335 176.600 0.015 0.000 0.977 408 E CA 2.144 58.554 56.400 0.017 0.000 0.832 408 E CB 0.147 29.859 29.700 0.019 0.000 0.790 408 E HN -0.323 8.033 8.360 0.021 0.016 0.466 409 E N -1.718 118.492 120.200 0.017 0.000 2.465 409 E HA 0.052 nan 4.350 nan 0.000 0.191 409 E C -0.399 176.209 176.600 0.015 0.000 1.053 409 E CA -0.453 55.956 56.400 0.015 0.000 0.869 409 E CB 0.954 30.663 29.700 0.014 0.000 0.977 409 E HN -0.338 8.033 8.360 0.019 0.000 0.483 410 G N -1.444 107.365 108.800 0.016 0.000 2.568 410 G HA2 -0.369 nan 3.960 nan 0.000 0.222 410 G HA3 -0.369 nan 3.960 nan 0.000 0.222 410 G C -2.661 172.249 174.900 0.017 0.000 1.321 410 G CA -0.318 44.791 45.100 0.015 0.000 0.893 410 G HN -0.135 8.098 8.290 0.016 0.067 0.569 411 V N 0.729 120.654 119.914 0.017 0.000 2.488 411 V HA 0.649 nan 4.120 nan 0.000 0.293 411 V C -0.750 175.356 176.094 0.020 0.000 1.027 411 V CA -1.763 60.549 62.300 0.018 0.000 0.862 411 V CB 1.633 33.467 31.823 0.018 0.000 1.008 411 V HN -0.419 7.781 8.190 0.016 0.000 0.428 412 V N 4.274 124.200 119.914 0.020 0.000 2.997 412 V HA 0.708 nan 4.120 nan 0.000 0.311 412 V C -0.983 175.125 176.094 0.023 0.000 1.066 412 V CA -3.572 58.741 62.300 0.021 0.000 1.039 412 V CB 1.889 33.724 31.823 0.020 0.000 1.081 412 V HN -0.094 8.108 8.190 0.020 0.000 0.467 413 A N 0.844 123.679 122.820 0.026 0.000 2.545 413 A HA -0.026 nan 4.320 nan 0.000 0.253 413 A C 0.120 177.718 177.584 0.023 0.000 1.074 413 A CA 0.568 52.622 52.037 0.028 0.000 0.760 413 A CB -0.335 18.685 19.000 0.035 0.000 1.005 413 A HN 0.020 8.312 8.150 0.027 -0.126 0.506 414 G N 0.731 109.544 108.800 0.022 0.000 2.514 414 G HA2 -0.019 nan 3.960 nan 0.000 0.245 414 G HA3 -0.019 nan 3.960 nan 0.000 0.245 414 G C 0.271 175.182 174.900 0.018 0.000 1.488 414 G CA -1.129 43.983 45.100 0.019 0.000 1.063 414 G HN -0.413 7.890 8.290 0.022 0.000 0.557 415 G N -1.123 107.689 108.800 0.019 0.000 2.166 415 G HA2 -0.323 nan 3.960 nan 0.000 0.260 415 G HA3 -0.323 nan 3.960 nan 0.000 0.260 415 G C 0.350 175.263 174.900 0.022 0.000 0.986 415 G CA 0.402 45.517 45.100 0.024 0.000 0.683 415 G HN 0.490 8.791 8.290 0.018 0.000 0.527 416 G N -2.911 105.898 108.800 0.015 0.000 2.136 416 G HA2 -0.383 nan 3.960 nan 0.000 0.242 416 G HA3 -0.383 nan 3.960 nan 0.000 0.242 416 G C 0.434 175.337 174.900 0.004 0.000 0.989 416 G CA 0.181 45.286 45.100 0.009 0.000 0.682 416 G HN 0.001 8.231 8.290 0.016 0.071 0.522 417 V N 0.707 120.625 119.914 0.006 0.000 2.446 417 V HA -0.246 nan 4.120 nan 0.000 0.244 417 V C 1.508 177.606 176.094 0.006 0.000 1.039 417 V CA 3.083 65.382 62.300 -0.001 0.000 1.045 417 V CB -0.557 31.264 31.823 -0.003 0.000 0.681 417 V HN -0.250 7.794 8.190 0.011 0.153 0.459 418 A N 0.446 123.273 122.820 0.013 0.000 1.859 418 A HA -0.413 nan 4.320 nan 0.000 0.217 418 A C 1.852 179.443 177.584 0.012 0.000 1.198 418 A CA 3.414 55.461 52.037 0.015 0.000 0.629 418 A CB -1.188 17.822 19.000 0.016 0.000 0.830 418 A HN -0.445 7.713 8.150 0.014 0.000 0.446 419 L N -2.669 118.560 121.223 0.009 0.000 2.043 419 L HA -0.348 nan 4.340 nan 0.000 0.212 419 L C 2.194 179.067 176.870 0.005 0.000 1.075 419 L CA 2.819 57.664 54.840 0.007 0.000 0.752 419 L CB -0.172 41.892 42.059 0.007 0.000 0.891 419 L HN -0.207 8.029 8.230 0.010 0.000 0.432 420 I N -4.806 115.765 120.570 0.002 0.000 3.564 420 I HA -0.267 nan 4.170 nan 0.000 0.294 420 I C -0.120 175.999 176.117 0.004 0.000 1.289 420 I CA 0.369 61.669 61.300 -0.000 0.000 1.325 420 I CB -0.138 37.857 38.000 -0.008 0.000 1.039 420 I HN -0.758 7.453 8.210 0.002 0.000 0.474 421 R N -0.599 119.906 120.500 0.009 0.000 2.128 421 R HA -0.029 nan 4.340 nan 0.000 0.211 421 R C 1.199 177.511 176.300 0.019 0.000 1.067 421 R CA 2.269 58.380 56.100 0.018 0.000 1.010 421 R CB 0.753 31.068 30.300 0.025 0.000 0.922 421 R HN -0.234 7.838 8.270 0.009 0.203 0.457 422 V N -6.428 113.494 119.914 0.015 0.000 2.599 422 V HA 0.268 nan 4.120 nan 0.000 0.245 422 V C 1.239 177.339 176.094 0.010 0.000 1.046 422 V CA 2.181 64.488 62.300 0.013 0.000 1.065 422 V CB 0.111 31.940 31.823 0.010 0.000 0.703 422 V HN -0.052 8.145 8.190 0.013 0.000 0.464 423 A N 0.528 123.353 122.820 0.008 0.000 2.264 423 A HA -0.126 nan 4.320 nan 0.000 0.207 423 A C 0.532 178.120 177.584 0.007 0.000 1.196 423 A CA 2.314 54.355 52.037 0.006 0.000 0.778 423 A CB -0.918 18.085 19.000 0.004 0.000 0.779 423 A HN -0.180 7.975 8.150 0.007 0.000 0.483 424 S N -4.471 111.235 115.700 0.010 0.000 2.506 424 S HA -0.021 nan 4.470 nan 0.000 0.219 424 S C 1.651 176.258 174.600 0.012 0.000 1.031 424 S CA 0.796 59.003 58.200 0.011 0.000 0.911 424 S CB 0.966 64.175 63.200 0.015 0.000 0.812 424 S HN -0.517 7.707 8.310 0.011 0.093 0.497 425 K N 3.271 123.679 120.400 0.012 0.000 2.296 425 K HA -0.107 nan 4.320 nan 0.000 0.200 425 K C 1.102 177.707 176.600 0.008 0.000 1.048 425 K CA 2.209 58.502 56.287 0.012 0.000 0.966 425 K CB 0.190 32.698 32.500 0.013 0.000 0.754 425 K HN -0.191 7.942 8.250 0.013 0.124 0.466 426 L N -2.327 118.900 121.223 0.007 0.000 2.728 426 L HA 0.175 nan 4.340 nan 0.000 0.235 426 L C 0.191 177.064 176.870 0.005 0.000 1.197 426 L CA -1.212 53.631 54.840 0.005 0.000 0.992 426 L CB -1.114 40.947 42.059 0.004 0.000 1.263 426 L HN -0.561 7.642 8.230 0.008 0.031 0.484 427 A N 0.441 123.265 122.820 0.006 0.000 2.024 427 A HA -0.269 nan 4.320 nan 0.000 0.220 427 A C 0.297 177.884 177.584 0.004 0.000 1.164 427 A CA 2.562 54.602 52.037 0.005 0.000 0.643 427 A CB 0.056 19.059 19.000 0.006 0.000 0.806 427 A HN -0.615 7.441 8.150 0.007 0.098 0.451 428 D N -3.147 117.255 120.400 0.004 0.000 3.068 428 D HA 0.189 nan 4.640 nan 0.000 0.327 428 D C -1.601 174.701 176.300 0.003 0.000 1.361 428 D CA -0.295 53.707 54.000 0.003 0.000 0.877 428 D CB 0.265 41.067 40.800 0.004 0.000 1.088 428 D HN 0.052 8.404 8.370 0.005 0.021 0.489 429 L N -0.093 121.132 121.223 0.003 0.000 2.296 429 L HA 0.338 nan 4.340 nan 0.000 0.286 429 L C -1.139 175.732 176.870 0.002 0.000 1.023 429 L CA -0.248 54.593 54.840 0.002 0.000 0.812 429 L CB 1.599 43.659 42.059 0.002 0.000 1.223 429 L HN -0.639 7.532 8.230 0.003 0.060 0.421 430 R N 4.123 124.624 120.500 0.002 0.000 2.939 430 R HA 0.583 nan 4.340 nan 0.000 0.254 430 R C -1.218 175.083 176.300 0.001 0.000 1.123 430 R CA -2.189 53.912 56.100 0.002 0.000 1.020 430 R CB 3.372 33.673 30.300 0.002 0.000 1.206 430 R HN 0.265 8.536 8.270 0.002 0.000 0.491 431 G N -2.508 106.293 108.800 0.001 0.000 3.086 431 G HA2 0.314 nan 3.960 nan 0.000 0.282 431 G HA3 0.314 nan 3.960 nan 0.000 0.282 431 G C -0.446 174.455 174.900 0.002 0.000 1.343 431 G CA -0.018 45.083 45.100 0.001 0.000 0.895 431 G HN -0.189 8.102 8.290 0.002 0.000 0.557 432 Q N -0.898 118.903 119.800 0.002 0.000 2.197 432 Q HA -0.393 nan 4.340 nan 0.000 0.211 432 Q C -0.416 175.585 176.000 0.002 0.000 0.993 432 Q CA 2.258 58.063 55.803 0.002 0.000 0.883 432 Q CB 0.352 29.091 28.738 0.002 0.000 0.916 432 Q HN 0.146 8.568 8.270 0.002 -0.151 0.418 433 N N -8.235 110.466 118.700 0.002 0.000 3.449 433 N HA -0.007 nan 4.740 nan 0.000 0.312 433 N C -0.861 174.650 175.510 0.002 0.000 1.582 433 N CA -0.881 52.170 53.050 0.002 0.000 0.850 433 N CB 1.236 39.724 38.487 0.002 0.000 1.822 433 N HN -1.002 7.343 8.380 0.002 0.036 0.577 434 E N -1.104 119.097 120.200 0.002 0.000 2.001 434 E HA -0.342 nan 4.350 nan 0.000 0.195 434 E C 1.607 178.209 176.600 0.002 0.000 1.002 434 E CA 3.490 59.891 56.400 0.002 0.000 0.819 434 E CB -0.184 29.517 29.700 0.001 0.000 0.769 434 E HN 0.461 8.822 8.360 0.002 0.000 0.454 435 D N -0.744 119.658 120.400 0.002 0.000 2.191 435 D HA -0.345 nan 4.640 nan 0.000 0.195 435 D C 2.807 179.109 176.300 0.003 0.000 1.003 435 D CA 3.049 57.051 54.000 0.003 0.000 0.867 435 D CB -0.582 40.220 40.800 0.003 0.000 0.926 435 D HN -0.244 8.158 8.370 0.002 -0.030 0.450 436 Q N -2.607 117.195 119.800 0.003 0.000 2.224 436 Q HA -0.285 nan 4.340 nan 0.000 0.203 436 Q C 2.453 178.454 176.000 0.002 0.000 0.970 436 Q CA 2.681 58.486 55.803 0.003 0.000 0.865 436 Q CB -0.060 28.680 28.738 0.002 0.000 0.922 436 Q HN -0.306 8.234 8.270 0.003 -0.268 0.445 437 N N 1.064 119.765 118.700 0.002 0.000 2.207 437 N HA -0.172 nan 4.740 nan 0.000 0.182 437 N C 1.809 177.320 175.510 0.002 0.000 1.020 437 N CA 3.039 56.090 53.050 0.002 0.000 0.858 437 N CB 0.099 38.587 38.487 0.002 0.000 0.991 437 N HN 0.094 8.328 8.380 0.002 0.148 0.427 438 V N -0.738 119.178 119.914 0.002 0.000 3.305 438 V HA -0.096 nan 4.120 nan 0.000 0.269 438 V C 0.585 176.681 176.094 0.003 0.000 1.157 438 V CA 2.233 64.534 62.300 0.002 0.000 1.157 438 V CB -0.871 30.954 31.823 0.002 0.000 0.772 438 V HN 0.092 8.283 8.190 0.002 0.000 0.498 439 G N -0.570 108.232 108.800 0.003 0.000 2.441 439 G HA2 -0.067 nan 3.960 nan 0.000 0.212 439 G HA3 -0.067 nan 3.960 nan 0.000 0.212 439 G C 0.649 175.551 174.900 0.003 0.000 1.164 439 G CA 1.352 46.454 45.100 0.004 0.000 0.811 439 G HN -0.517 7.672 8.290 0.003 0.103 0.535 440 I N 2.443 123.015 120.570 0.002 0.000 2.163 440 I HA -0.581 nan 4.170 nan 0.000 0.243 440 I C 1.277 177.395 176.117 0.002 0.000 1.085 440 I CA 3.709 65.010 61.300 0.002 0.000 1.347 440 I CB -0.040 37.961 38.000 0.001 0.000 1.044 440 I HN -0.319 7.707 8.210 0.002 0.185 0.408 441 K N -0.754 119.648 120.400 0.002 0.000 2.280 441 K HA -0.290 nan 4.320 nan 0.000 0.202 441 K C 2.079 178.680 176.600 0.002 0.000 1.047 441 K CA 3.403 59.692 56.287 0.002 0.000 0.942 441 K CB -0.044 32.457 32.500 0.002 0.000 0.739 441 K HN 0.137 8.278 8.250 0.002 0.110 0.457 442 V N -0.137 119.778 119.914 0.003 0.000 2.255 442 V HA -0.330 nan 4.120 nan 0.000 0.243 442 V C 1.712 177.808 176.094 0.003 0.000 1.038 442 V CA 3.474 65.776 62.300 0.003 0.000 1.008 442 V CB -0.560 31.265 31.823 0.004 0.000 0.645 442 V HN -0.438 7.583 8.190 0.003 0.170 0.449 443 A N -1.758 121.064 122.820 0.003 0.000 2.024 443 A HA -0.320 nan 4.320 nan 0.000 0.220 443 A C 2.200 179.785 177.584 0.002 0.000 1.164 443 A CA 3.065 55.104 52.037 0.003 0.000 0.643 443 A CB -0.938 18.063 19.000 0.002 0.000 0.806 443 A HN -0.494 7.657 8.150 0.003 0.000 0.451 444 L N -3.346 117.878 121.223 0.002 0.000 2.023 444 L HA -0.353 nan 4.340 nan 0.000 0.205 444 L C 2.131 179.001 176.870 0.001 0.000 1.073 444 L CA 2.602 57.443 54.840 0.002 0.000 0.745 444 L CB -0.419 41.641 42.059 0.002 0.000 0.900 444 L HN -0.529 7.676 8.230 0.002 0.027 0.435 445 R N -2.972 117.529 120.500 0.001 0.000 2.237 445 R HA -0.225 nan 4.340 nan 0.000 0.219 445 R C 1.726 178.026 176.300 0.000 0.000 1.080 445 R CA 2.540 58.640 56.100 0.000 0.000 0.995 445 R CB -0.743 29.557 30.300 -0.000 0.000 0.875 445 R HN -0.578 7.693 8.270 0.002 0.000 0.462 446 A N -0.188 122.633 122.820 0.002 0.000 1.872 446 A HA -0.074 nan 4.320 nan 0.000 0.214 446 A C 1.620 179.206 177.584 0.004 0.000 1.187 446 A CA 2.235 54.274 52.037 0.004 0.000 0.614 446 A CB -0.259 18.745 19.000 0.006 0.000 0.826 446 A HN -0.079 7.990 8.150 0.002 0.082 0.442 447 M N -3.879 115.723 119.600 0.003 0.000 2.539 447 M HA -0.296 nan 4.480 nan 0.000 0.261 447 M C 0.753 177.053 176.300 0.001 0.000 1.069 447 M CA 2.837 58.139 55.300 0.003 0.000 1.081 447 M CB 0.039 32.640 32.600 0.003 0.000 1.412 447 M HN -0.577 7.627 8.290 0.003 0.088 0.482 448 E N -3.214 116.985 120.200 -0.002 0.000 2.489 448 E HA -0.049 nan 4.350 nan 0.000 0.193 448 E C 0.479 177.074 176.600 -0.009 0.000 1.057 448 E CA 0.454 56.850 56.400 -0.007 0.000 0.866 448 E CB -0.203 29.492 29.700 -0.009 0.000 0.916 448 E HN -0.576 7.622 8.360 -0.001 0.161 0.500 449 A N 0.523 123.340 122.820 -0.004 0.000 1.858 449 A HA -0.097 nan 4.320 nan 0.000 0.216 449 A C -0.849 176.732 177.584 -0.004 0.000 1.190 449 A CA 4.912 56.947 52.037 -0.003 0.000 0.617 449 A CB -2.372 16.630 19.000 0.002 0.000 0.827 449 A HN -0.107 7.860 8.150 -0.001 0.183 0.443 450 P HA -0.259 nan 4.420 nan 0.000 0.213 450 P C 1.148 178.444 177.300 -0.006 0.000 1.170 450 P CA 2.595 65.696 63.100 0.001 0.000 0.902 450 P CB -0.610 31.094 31.700 0.006 0.000 0.789 451 L N -0.749 120.467 121.223 -0.012 0.000 1.956 451 L HA -0.399 nan 4.340 nan 0.000 0.216 451 L C 2.003 178.848 176.870 -0.042 0.000 1.073 451 L CA 3.417 58.242 54.840 -0.025 0.000 0.762 451 L CB -0.267 41.773 42.059 -0.033 0.000 0.889 451 L HN -0.233 7.992 8.230 -0.009 0.000 0.433 452 R N -3.221 117.253 120.500 -0.043 0.000 2.198 452 R HA -0.505 nan 4.340 nan 0.000 0.258 452 R C 2.575 178.852 176.300 -0.039 0.000 1.173 452 R CA 3.302 59.373 56.100 -0.048 0.000 0.991 452 R CB -0.538 29.742 30.300 -0.034 0.000 0.879 452 R HN -0.521 7.728 8.270 -0.035 0.000 0.460 453 Q N -0.783 119.002 119.800 -0.025 0.000 1.984 453 Q HA -0.178 nan 4.340 nan 0.000 0.196 453 Q C 1.892 177.882 176.000 -0.017 0.000 0.975 453 Q CA 2.313 58.106 55.803 -0.016 0.000 0.827 453 Q CB -0.630 28.104 28.738 -0.007 0.000 0.894 453 Q HN -0.621 7.499 8.270 -0.021 0.138 0.438 454 I N 0.155 120.718 120.570 -0.012 0.000 2.103 454 I HA -0.656 nan 4.170 nan 0.000 0.241 454 I C 2.102 178.215 176.117 -0.006 0.000 1.036 454 I CA 4.331 65.630 61.300 -0.001 0.000 1.300 454 I CB -0.073 37.931 38.000 0.007 0.000 1.010 454 I HN 0.121 8.325 8.210 -0.010 0.000 0.406 455 V N -1.418 118.471 119.914 -0.042 0.000 2.490 455 V HA -0.348 nan 4.120 nan 0.000 0.250 455 V C 2.156 178.218 176.094 -0.054 0.000 1.061 455 V CA 3.872 66.121 62.300 -0.084 0.000 1.064 455 V CB -0.890 30.797 31.823 -0.225 0.000 0.670 455 V HN -0.025 8.131 8.190 -0.056 0.000 0.461 456 L N -0.302 120.895 121.223 -0.042 0.000 2.046 456 L HA -0.345 nan 4.340 nan 0.000 0.208 456 L C 1.209 178.072 176.870 -0.011 0.000 1.077 456 L CA 3.005 57.829 54.840 -0.027 0.000 0.747 456 L CB -0.379 41.666 42.059 -0.023 0.000 0.896 456 L HN 0.170 8.253 8.230 -0.044 0.120 0.432 457 N N -1.690 117.007 118.700 -0.005 0.000 2.223 457 N HA -0.229 nan 4.740 nan 0.000 0.185 457 N C 2.330 177.846 175.510 0.009 0.000 1.016 457 N CA 3.335 56.387 53.050 0.003 0.000 0.863 457 N CB -0.047 38.444 38.487 0.006 0.000 0.983 457 N HN -0.376 7.999 8.380 -0.007 0.000 0.429 458 C N -3.227 116.081 119.300 0.015 0.000 2.440 458 C HA -0.166 nan 4.460 nan 0.000 0.278 458 C C 1.360 176.363 174.990 0.021 0.000 1.295 458 C CA 2.695 61.731 59.018 0.030 0.000 1.738 458 C CB -0.936 26.843 27.740 0.065 0.000 1.987 458 C HN -0.408 7.700 8.230 0.010 0.127 0.492 459 G N -2.212 106.592 108.800 0.007 0.000 2.231 459 G HA2 -0.288 nan 3.960 nan 0.000 0.206 459 G HA3 -0.288 nan 3.960 nan 0.000 0.206 459 G C -0.427 174.474 174.900 0.001 0.000 0.996 459 G CA -0.150 44.953 45.100 0.005 0.000 0.645 459 G HN -0.200 7.988 8.290 -0.002 0.101 0.498 460 E N 1.062 121.260 120.200 -0.003 0.000 2.345 460 E HA 0.090 nan 4.350 nan 0.000 0.259 460 E C -0.986 175.589 176.600 -0.042 0.000 1.117 460 E CA -1.258 55.134 56.400 -0.013 0.000 0.913 460 E CB 1.012 30.708 29.700 -0.006 0.000 1.057 460 E HN -0.369 7.932 8.360 0.002 0.059 0.432 461 E N -0.206 119.972 120.200 -0.037 0.000 2.299 461 E HA 0.133 nan 4.350 nan 0.000 0.272 461 E C -0.063 176.495 176.600 -0.070 0.000 1.043 461 E CA -1.888 54.488 56.400 -0.040 0.000 0.895 461 E CB -0.578 29.110 29.700 -0.019 0.000 1.011 461 E HN 0.170 8.518 8.360 -0.021 0.000 0.432 462 P HA -0.091 nan 4.420 nan 0.000 0.223 462 P C 1.022 178.284 177.300 -0.064 0.000 1.151 462 P CA 1.886 64.936 63.100 -0.083 0.000 0.787 462 P CB 0.131 31.795 31.700 -0.061 0.000 0.788 463 S N -2.409 113.267 115.700 -0.041 0.000 2.496 463 S HA -0.055 nan 4.470 nan 0.000 0.224 463 S C 0.971 175.559 174.600 -0.019 0.000 0.996 463 S CA 1.937 60.122 58.200 -0.026 0.000 0.927 463 S CB -0.146 63.044 63.200 -0.016 0.000 0.774 463 S HN 0.142 8.431 8.310 -0.036 0.000 0.524 464 V N 0.355 120.257 119.914 -0.020 0.000 2.599 464 V HA -0.120 nan 4.120 nan 0.000 0.245 464 V C 1.014 177.125 176.094 0.028 0.000 1.046 464 V CA 3.074 65.378 62.300 0.007 0.000 1.065 464 V CB 0.091 31.926 31.823 0.020 0.000 0.703 464 V HN -0.666 7.466 8.190 -0.033 0.038 0.464 465 V N -1.028 118.862 119.914 -0.040 0.000 2.346 465 V HA -0.311 nan 4.120 nan 0.000 0.244 465 V C 1.405 177.493 176.094 -0.011 0.000 1.037 465 V CA 4.376 66.647 62.300 -0.048 0.000 1.029 465 V CB -1.048 30.500 31.823 -0.458 0.000 0.663 465 V HN -0.602 7.532 8.190 -0.093 0.000 0.454 466 A N -1.504 121.284 122.820 -0.054 0.000 2.070 466 A HA -0.331 nan 4.320 nan 0.000 0.220 466 A C 1.680 179.257 177.584 -0.011 0.000 1.159 466 A CA 3.220 55.236 52.037 -0.034 0.000 0.656 466 A CB -0.716 18.262 19.000 -0.038 0.000 0.800 466 A HN -0.338 7.764 8.150 -0.080 0.000 0.453 467 N N -3.661 115.038 118.700 -0.003 0.000 2.251 467 N HA -0.102 nan 4.740 nan 0.000 0.181 467 N C 1.854 177.367 175.510 0.004 0.000 1.019 467 N CA 2.670 55.721 53.050 0.001 0.000 0.862 467 N CB 0.160 38.648 38.487 0.002 0.000 0.992 467 N HN -0.338 7.892 8.380 -0.004 0.147 0.429 468 T N 3.696 118.255 114.554 0.009 0.000 2.668 468 T HA -0.226 nan 4.350 nan 0.000 0.258 468 T C 2.222 176.908 174.700 -0.023 0.000 1.051 468 T CA 4.193 66.271 62.100 -0.036 0.000 1.155 468 T CB -0.184 68.587 68.868 -0.161 0.000 0.864 468 T HN -0.547 7.628 8.240 0.034 0.085 0.413 469 V N 1.755 121.660 119.914 -0.015 0.000 2.453 469 V HA -0.440 nan 4.120 nan 0.000 0.252 469 V C 1.637 177.696 176.094 -0.060 0.000 1.068 469 V CA 3.921 66.145 62.300 -0.128 0.000 1.070 469 V CB -1.131 30.654 31.823 -0.063 0.000 0.664 469 V HN 0.478 8.718 8.190 0.084 0.000 0.461 470 K N 0.514 120.907 120.400 -0.011 0.000 1.985 470 K HA -0.267 nan 4.320 nan 0.000 0.210 470 K C 1.216 177.836 176.600 0.033 0.000 1.047 470 K CA 2.710 59.002 56.287 0.008 0.000 0.932 470 K CB 0.060 32.563 32.500 0.006 0.000 0.716 470 K HN -0.627 7.590 8.250 -0.008 0.028 0.439 471 G N -3.497 105.328 108.800 0.042 0.000 3.458 471 G HA2 0.083 nan 3.960 nan 0.000 0.256 471 G HA3 0.083 nan 3.960 nan 0.000 0.256 471 G C -0.957 174.009 174.900 0.110 0.000 0.938 471 G CA -0.252 44.882 45.100 0.058 0.000 1.890 471 G HN -0.534 7.774 8.290 0.030 0.000 0.639 472 G N 0.397 109.296 108.800 0.163 0.000 3.148 472 G HA2 0.080 nan 3.960 nan 0.000 0.300 472 G HA3 0.080 nan 3.960 nan 0.000 0.300 472 G C -2.170 172.878 174.900 0.247 0.000 2.403 472 G CA -0.253 44.999 45.100 0.253 0.000 0.763 472 G HN -0.712 7.597 8.290 0.130 0.059 0.371 473 D N 2.242 122.717 120.400 0.124 0.000 2.406 473 D HA -0.126 nan 4.640 nan 0.000 0.234 473 D C 0.750 177.119 176.300 0.115 0.000 1.196 473 D CA 1.923 55.982 54.000 0.099 0.000 0.881 473 D CB 0.825 41.658 40.800 0.055 0.000 1.205 473 D HN -0.119 8.301 8.370 0.085 0.000 0.453 474 G N 1.242 110.097 108.800 0.092 0.000 2.582 474 G HA2 -0.311 nan 3.960 nan 0.000 0.222 474 G HA3 -0.311 nan 3.960 nan 0.000 0.222 474 G C -0.798 174.167 174.900 0.107 0.000 1.311 474 G CA -0.432 44.722 45.100 0.089 0.000 0.915 474 G HN 0.141 8.475 8.290 0.073 0.000 0.528 475 N N -0.245 118.517 118.700 0.103 0.000 2.413 475 N HA -0.026 nan 4.740 nan 0.000 0.207 475 N C -0.715 174.883 175.510 0.147 0.000 1.206 475 N CA -0.073 53.034 53.050 0.095 0.000 0.832 475 N CB -0.396 38.133 38.487 0.070 0.000 1.037 475 N HN 0.093 8.527 8.380 0.091 0.000 0.467 476 Y N 1.267 121.597 120.300 0.050 0.000 2.442 476 Y HA -0.090 nan 4.550 nan 0.000 0.330 476 Y C -1.873 174.090 175.900 0.106 0.000 1.129 476 Y CA 0.447 58.589 58.100 0.071 0.000 1.365 476 Y CB 0.282 38.777 38.460 0.059 0.000 1.233 476 Y HN -0.758 7.574 8.280 0.274 0.113 0.529 477 G N 5.024 113.717 108.800 -0.178 0.000 2.682 477 G HA2 0.094 nan 3.960 nan 0.000 0.303 477 G HA3 0.094 nan 3.960 nan 0.000 0.303 477 G C -3.669 171.207 174.900 -0.041 0.000 1.341 477 G CA -0.789 44.168 45.100 -0.238 0.000 0.784 477 G HN 0.367 8.738 8.290 0.134 0.000 0.497 478 Y N -0.366 119.846 120.300 -0.147 0.000 2.491 478 Y HA 0.150 nan 4.550 nan 0.000 0.334 478 Y C -1.305 174.496 175.900 -0.165 0.000 0.969 478 Y CA -1.908 56.040 58.100 -0.254 0.000 1.241 478 Y CB 0.457 38.671 38.460 -0.411 0.000 1.105 478 Y HN -0.071 8.259 8.280 0.083 0.000 0.503 479 N N 8.394 126.927 118.700 -0.278 0.000 2.406 479 N HA -0.119 nan 4.740 nan 0.000 0.269 479 N C -0.137 175.144 175.510 -0.382 0.000 1.210 479 N CA -0.529 52.392 53.050 -0.215 0.000 0.966 479 N CB -0.162 38.232 38.487 -0.154 0.000 1.293 479 N HN 0.335 8.466 8.380 -0.275 0.084 0.491 480 A N 5.615 128.331 122.820 -0.172 0.000 2.121 480 A HA -0.205 nan 4.320 nan 0.000 0.218 480 A C 1.126 178.658 177.584 -0.086 0.000 1.154 480 A CA 2.476 54.468 52.037 -0.074 0.000 0.679 480 A CB -0.519 18.582 19.000 0.168 0.000 0.795 480 A HN 0.102 8.241 8.150 -0.019 0.000 0.458 481 A N -2.912 119.857 122.820 -0.086 0.000 2.067 481 A HA -0.191 nan 4.320 nan 0.000 0.219 481 A C 0.658 178.194 177.584 -0.079 0.000 1.158 481 A CA 2.606 54.607 52.037 -0.060 0.000 0.661 481 A CB -0.261 18.713 19.000 -0.044 0.000 0.801 481 A HN 0.041 8.260 8.150 -0.090 -0.123 0.452 482 T N -9.404 105.068 114.554 -0.136 0.000 3.130 482 T HA 0.183 nan 4.350 nan 0.000 0.288 482 T C 0.119 174.687 174.700 -0.221 0.000 0.936 482 T CA -0.657 61.361 62.100 -0.136 0.000 0.897 482 T CB 0.978 69.779 68.868 -0.112 0.000 1.178 482 T HN -0.660 7.599 8.240 -0.185 -0.131 0.543 483 E N -1.362 118.606 120.200 -0.387 0.000 2.637 483 E HA -0.429 nan 4.350 nan 0.000 0.265 483 E C -1.372 174.723 176.600 -0.841 0.000 1.073 483 E CA 1.481 57.443 56.400 -0.730 0.000 0.778 483 E CB -1.597 27.954 29.700 -0.249 0.000 1.362 483 E HN 0.259 8.280 8.360 -0.357 0.125 0.413 484 E N -2.987 116.816 120.200 -0.660 0.000 2.183 484 E HA 0.319 nan 4.350 nan 0.000 0.271 484 E C -0.907 175.527 176.600 -0.277 0.000 0.919 484 E CA -2.339 53.843 56.400 -0.364 0.000 0.781 484 E CB 1.960 31.574 29.700 -0.142 0.000 1.140 484 E HN -0.431 7.564 8.360 -0.567 0.025 0.402 485 Y N 2.359 122.662 120.300 0.004 0.000 2.616 485 Y HA 0.005 nan 4.550 nan 0.000 0.350 485 Y C -0.149 175.941 175.900 0.317 0.000 1.119 485 Y CA 0.475 58.700 58.100 0.208 0.000 1.467 485 Y CB -1.019 37.682 38.460 0.402 0.000 1.287 485 Y HN 0.377 8.789 8.280 0.219 0.000 0.504 486 G N 1.424 110.434 108.800 0.351 0.000 3.015 486 G HA2 0.032 nan 3.960 nan 0.000 0.281 486 G HA3 0.032 nan 3.960 nan 0.000 0.281 486 G C -2.480 172.596 174.900 0.293 0.000 1.386 486 G CA -1.697 43.571 45.100 0.279 0.000 0.959 486 G HN -0.381 8.041 8.290 0.220 0.000 0.522 487 N N 0.807 119.620 118.700 0.189 0.000 2.416 487 N HA 0.041 nan 4.740 nan 0.000 0.271 487 N C 1.614 177.186 175.510 0.105 0.000 1.245 487 N CA 0.705 53.850 53.050 0.158 0.000 0.940 487 N CB 0.237 38.782 38.487 0.096 0.000 1.175 487 N HN 0.111 8.571 8.380 0.134 0.000 0.483 488 M N 5.857 125.518 119.600 0.101 0.000 2.144 488 M HA -0.399 nan 4.480 nan 0.000 0.260 488 M C 1.734 178.059 176.300 0.042 0.000 1.067 488 M CA 4.300 59.634 55.300 0.057 0.000 1.095 488 M CB -0.430 32.197 32.600 0.046 0.000 1.365 488 M HN 0.353 8.723 8.290 0.133 0.000 0.406 489 I N -1.447 119.151 120.570 0.046 0.000 2.353 489 I HA -0.349 nan 4.170 nan 0.000 0.248 489 I C 3.114 179.249 176.117 0.029 0.000 1.119 489 I CA 2.529 63.850 61.300 0.034 0.000 1.417 489 I CB -1.468 36.552 38.000 0.034 0.000 1.078 489 I HN -0.616 7.698 8.210 0.059 -0.068 0.421 490 D N 1.295 121.716 120.400 0.035 0.000 2.178 490 D HA -0.170 nan 4.640 nan 0.000 0.202 490 D C 1.852 178.166 176.300 0.022 0.000 0.974 490 D CA 2.997 57.014 54.000 0.028 0.000 0.841 490 D CB 0.072 40.892 40.800 0.032 0.000 0.953 490 D HN 0.126 8.900 8.370 0.045 -0.378 0.478 491 M N -3.442 116.172 119.600 0.025 0.000 2.618 491 M HA 0.030 nan 4.480 nan 0.000 0.240 491 M C 0.453 176.757 176.300 0.007 0.000 1.123 491 M CA 0.395 55.703 55.300 0.013 0.000 1.060 491 M CB 0.402 33.008 32.600 0.011 0.000 1.535 491 M HN -0.116 8.081 8.290 0.034 0.113 0.507 492 G N -1.164 107.643 108.800 0.012 0.000 2.155 492 G HA2 -0.375 nan 3.960 nan 0.000 0.257 492 G HA3 -0.375 nan 3.960 nan 0.000 0.257 492 G C -0.256 174.648 174.900 0.008 0.000 0.983 492 G CA 0.862 45.968 45.100 0.009 0.000 0.676 492 G HN -0.264 7.824 8.290 0.017 0.212 0.528 493 I N 3.867 124.442 120.570 0.009 0.000 2.268 493 I HA 0.233 nan 4.170 nan 0.000 0.290 493 I C -1.304 174.821 176.117 0.014 0.000 1.125 493 I CA -1.120 60.184 61.300 0.007 0.000 1.236 493 I CB -2.698 35.302 38.000 0.001 0.000 1.469 493 I HN -0.175 8.000 8.210 0.012 0.042 0.512 494 L N 2.208 123.440 121.223 0.014 0.000 2.223 494 L HA 0.910 nan 4.340 nan 0.000 0.243 494 L C -1.261 175.620 176.870 0.018 0.000 1.105 494 L CA -2.244 52.606 54.840 0.017 0.000 0.943 494 L CB 2.689 44.759 42.059 0.019 0.000 1.542 494 L HN -0.398 7.840 8.230 0.012 0.000 0.437 495 D N -4.790 115.622 120.400 0.020 0.000 2.745 495 D HA 0.359 nan 4.640 nan 0.000 0.221 495 D C -2.967 173.347 176.300 0.023 0.000 1.237 495 D CA -1.415 52.598 54.000 0.022 0.000 0.781 495 D CB 0.384 41.198 40.800 0.023 0.000 1.575 495 D HN -0.129 8.253 8.370 0.020 0.000 0.482 496 P HA -0.234 nan 4.420 nan 0.000 0.269 496 P C 0.295 177.609 177.300 0.024 0.000 1.200 496 P CA 0.563 63.678 63.100 0.025 0.000 0.779 496 P CB 0.429 32.146 31.700 0.029 0.000 0.841 497 T N 2.207 116.774 114.554 0.022 0.000 2.942 497 T HA -0.174 nan 4.350 nan 0.000 0.265 497 T C 1.658 176.371 174.700 0.021 0.000 1.062 497 T CA 4.279 66.390 62.100 0.019 0.000 1.139 497 T CB -0.054 68.824 68.868 0.016 0.000 0.883 497 T HN 0.282 8.436 8.240 0.021 0.098 0.468 498 K N 0.993 121.407 120.400 0.024 0.000 2.020 498 K HA -0.393 nan 4.320 nan 0.000 0.212 498 K C 1.482 178.105 176.600 0.039 0.000 1.050 498 K CA 4.004 60.309 56.287 0.029 0.000 0.929 498 K CB -0.400 32.120 32.500 0.034 0.000 0.714 498 K HN 0.161 8.413 8.250 0.024 0.013 0.443 499 V N -6.801 113.138 119.914 0.041 0.000 2.358 499 V HA -0.143 nan 4.120 nan 0.000 0.246 499 V C 1.720 177.841 176.094 0.045 0.000 1.047 499 V CA 2.981 65.310 62.300 0.048 0.000 1.035 499 V CB -1.273 30.575 31.823 0.041 0.000 0.658 499 V HN -0.009 8.203 8.190 0.036 0.000 0.452 500 T N 1.458 116.031 114.554 0.032 0.000 2.915 500 T HA -0.214 nan 4.350 nan 0.000 0.269 500 T C 1.927 176.639 174.700 0.020 0.000 1.071 500 T CA 4.066 66.182 62.100 0.026 0.000 1.132 500 T CB -0.456 68.424 68.868 0.020 0.000 0.878 500 T HN -0.636 7.622 8.240 0.029 0.000 0.479 501 R N 2.290 122.799 120.500 0.015 0.000 2.052 501 R HA -0.209 nan 4.340 nan 0.000 0.226 501 R C 1.619 177.907 176.300 -0.021 0.000 1.145 501 R CA 3.326 59.423 56.100 -0.006 0.000 0.952 501 R CB 0.402 30.697 30.300 -0.008 0.000 0.847 501 R HN 0.039 8.202 8.270 0.020 0.119 0.431 502 S N -0.580 115.127 115.700 0.012 0.000 2.653 502 S HA -0.176 nan 4.470 nan 0.000 0.233 502 S C 1.062 175.761 174.600 0.165 0.000 0.970 502 S CA 2.113 60.337 58.200 0.040 0.000 0.947 502 S CB -0.413 62.902 63.200 0.191 0.000 0.771 502 S HN 0.342 8.566 8.310 0.032 0.105 0.538 503 A N 1.239 124.114 122.820 0.092 0.000 1.942 503 A HA 0.083 nan 4.320 nan 0.000 0.209 503 A C 1.031 178.657 177.584 0.069 0.000 1.214 503 A CA 2.267 54.367 52.037 0.104 0.000 0.686 503 A CB -0.249 18.790 19.000 0.064 0.000 0.871 503 A HN -0.469 7.502 8.150 0.051 0.209 0.460 504 L N -0.771 120.464 121.223 0.021 0.000 2.179 504 L HA -0.239 nan 4.340 nan 0.000 0.208 504 L C 1.869 178.715 176.870 -0.040 0.000 1.096 504 L CA 2.953 57.792 54.840 -0.002 0.000 0.779 504 L CB -0.216 41.837 42.059 -0.010 0.000 0.922 504 L HN -0.631 7.525 8.230 0.014 0.083 0.443 505 Q N -1.683 118.049 119.800 -0.113 0.000 2.119 505 Q HA -0.310 nan 4.340 nan 0.000 0.201 505 Q C 2.509 178.337 176.000 -0.288 0.000 0.972 505 Q CA 3.337 58.993 55.803 -0.245 0.000 0.847 505 Q CB -0.030 28.471 28.738 -0.394 0.000 0.903 505 Q HN 0.391 8.496 8.270 -0.100 0.105 0.433 506 Y N -2.512 117.792 120.300 0.008 0.000 2.365 506 Y HA -0.193 nan 4.550 nan 0.000 0.293 506 Y C 1.092 176.996 175.900 0.007 0.000 1.119 506 Y CA 1.987 60.091 58.100 0.007 0.000 1.203 506 Y CB -0.399 38.065 38.460 0.007 0.000 1.026 506 Y HN -0.767 7.460 8.280 -0.087 0.000 0.549 507 A N -0.575 122.324 122.820 0.131 0.000 1.883 507 A HA -0.403 nan 4.320 nan 0.000 0.217 507 A C 1.576 179.192 177.584 0.054 0.000 1.186 507 A CA 3.122 55.207 52.037 0.080 0.000 0.624 507 A CB -0.959 18.073 19.000 0.053 0.000 0.822 507 A HN -0.309 7.913 8.150 0.119 0.000 0.444 508 A N -5.141 117.697 122.820 0.029 0.000 2.169 508 A HA -0.082 nan 4.320 nan 0.000 0.212 508 A C 1.725 179.321 177.584 0.021 0.000 1.153 508 A CA 1.776 53.822 52.037 0.016 0.000 0.756 508 A CB -0.822 18.177 19.000 -0.003 0.000 0.813 508 A HN -0.277 7.883 8.150 0.016 0.000 0.471 509 S N 0.131 115.853 115.700 0.038 0.000 2.335 509 S HA -0.212 nan 4.470 nan 0.000 0.217 509 S C 1.967 176.603 174.600 0.061 0.000 1.032 509 S CA 3.366 61.597 58.200 0.052 0.000 0.985 509 S CB 0.104 63.367 63.200 0.104 0.000 0.896 509 S HN -0.741 7.426 8.310 0.050 0.173 0.445 510 V N 0.551 120.511 119.914 0.077 0.000 2.233 510 V HA -0.423 nan 4.120 nan 0.000 0.247 510 V C 1.870 177.989 176.094 0.041 0.000 1.050 510 V CA 3.067 65.401 62.300 0.057 0.000 1.010 510 V CB -1.331 30.524 31.823 0.054 0.000 0.637 510 V HN -0.528 7.724 8.190 0.104 0.000 0.444 511 A N -1.564 121.279 122.820 0.038 0.000 2.042 511 A HA -0.341 nan 4.320 nan 0.000 0.222 511 A C 2.061 179.659 177.584 0.024 0.000 1.167 511 A CA 3.229 55.283 52.037 0.028 0.000 0.649 511 A CB -0.911 18.104 19.000 0.025 0.000 0.809 511 A HN -0.379 7.798 8.150 0.045 0.000 0.457 512 G N -1.718 107.097 108.800 0.025 0.000 2.404 512 G HA2 -0.221 nan 3.960 nan 0.000 0.214 512 G HA3 -0.221 nan 3.960 nan 0.000 0.214 512 G C 1.142 176.055 174.900 0.022 0.000 1.189 512 G CA 1.396 46.509 45.100 0.020 0.000 0.789 512 G HN -0.848 7.308 8.290 0.029 0.151 0.533 513 L N 1.149 122.388 121.223 0.027 0.000 2.129 513 L HA -0.442 nan 4.340 nan 0.000 0.212 513 L C 2.592 179.477 176.870 0.025 0.000 1.087 513 L CA 2.817 57.673 54.840 0.026 0.000 0.757 513 L CB -0.056 42.021 42.059 0.030 0.000 0.896 513 L HN -0.393 7.855 8.230 0.031 0.000 0.434 514 M N -2.209 117.406 119.600 0.025 0.000 2.236 514 M HA -0.285 nan 4.480 nan 0.000 0.266 514 M C 2.589 178.902 176.300 0.022 0.000 1.070 514 M CA 3.581 58.895 55.300 0.024 0.000 1.137 514 M CB 0.240 32.855 32.600 0.024 0.000 1.378 514 M HN -0.346 7.931 8.290 0.026 0.029 0.426 515 I N -0.522 120.060 120.570 0.020 0.000 2.315 515 I HA -0.365 nan 4.170 nan 0.000 0.248 515 I C 1.414 177.543 176.117 0.020 0.000 1.117 515 I CA 3.019 64.330 61.300 0.018 0.000 1.404 515 I CB 0.175 38.184 38.000 0.016 0.000 1.071 515 I HN -0.562 7.660 8.210 0.021 0.000 0.419 516 T N -6.693 107.873 114.554 0.021 0.000 3.235 516 T HA 0.168 nan 4.350 nan 0.000 0.251 516 T C 0.237 174.954 174.700 0.027 0.000 1.060 516 T CA -0.702 61.412 62.100 0.023 0.000 0.949 516 T CB -0.650 68.231 68.868 0.021 0.000 1.020 516 T HN -0.546 7.707 8.240 0.021 0.000 0.564 517 T N 3.398 117.969 114.554 0.028 0.000 2.882 517 T HA 0.136 nan 4.350 nan 0.000 0.287 517 T C -0.349 174.375 174.700 0.040 0.000 0.992 517 T CA 0.668 62.787 62.100 0.031 0.000 1.076 517 T CB 1.215 70.099 68.868 0.027 0.000 0.961 517 T HN -0.613 7.462 8.240 0.026 0.180 0.490 518 E N 1.214 121.446 120.200 0.053 0.000 2.474 518 E HA 0.189 nan 4.350 nan 0.000 0.215 518 E C -1.607 175.053 176.600 0.100 0.000 0.867 518 E CA 0.668 57.121 56.400 0.087 0.000 1.135 518 E CB 1.988 31.755 29.700 0.112 0.000 1.147 518 E HN 0.319 8.709 8.360 0.050 0.000 0.534 519 C N -1.833 117.487 119.300 0.033 0.000 2.888 519 C HA 0.675 nan 4.460 nan 0.000 0.308 519 C C -1.675 173.265 174.990 -0.083 0.000 1.213 519 C CA -1.863 57.095 59.018 -0.101 0.000 1.461 519 C CB 1.992 29.676 27.740 -0.092 0.000 1.934 519 C HN -0.484 7.766 8.230 0.033 0.000 0.474 520 M N 5.925 125.457 119.600 -0.113 0.000 2.263 520 M HA 0.355 nan 4.480 nan 0.000 0.295 520 M C -1.871 174.458 176.300 0.049 0.000 1.028 520 M CA -0.517 54.804 55.300 0.034 0.000 0.921 520 M CB 3.719 36.444 32.600 0.208 0.000 1.601 520 M HN 0.402 8.541 8.290 -0.251 0.000 0.440 521 V N 3.726 123.640 119.914 0.001 0.000 2.448 521 V HA 0.429 nan 4.120 nan 0.000 0.295 521 V C -1.014 175.028 176.094 -0.087 0.000 1.025 521 V CA -0.224 62.059 62.300 -0.027 0.000 0.859 521 V CB 1.308 33.108 31.823 -0.039 0.000 0.988 521 V HN 0.219 8.403 8.190 -0.010 0.000 0.431 522 T N 5.394 119.858 114.554 -0.149 0.000 2.754 522 T HA 0.429 nan 4.350 nan 0.000 0.296 522 T C -1.731 172.861 174.700 -0.179 0.000 1.205 522 T CA -0.957 60.996 62.100 -0.244 0.000 1.009 522 T CB 1.298 69.853 68.868 -0.522 0.000 1.368 522 T HN 0.016 8.198 8.240 -0.097 0.000 0.509 523 D N 0.000 120.296 120.400 -0.173 0.000 6.856 523 D HA 0.000 nan 4.640 nan 0.000 0.175 523 D CA 0.000 53.934 54.000 -0.110 0.000 0.868 523 D CB 0.000 40.747 40.800 -0.088 0.000 0.688 523 D HN 0.000 8.254 8.370 -0.194 0.000 0.683