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_F 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 5.332 125.506 120.400 -0.376 0.000 2.422 7 K HA 0.460 nan 4.320 nan 0.000 0.251 7 K C -2.128 174.129 176.600 -0.572 0.000 0.933 7 K CA -1.224 54.785 56.287 -0.464 0.000 0.798 7 K CB 4.575 36.652 32.500 -0.704 0.000 1.238 7 K HN 0.302 8.360 8.250 -0.320 0.000 0.428 8 F N 0.075 119.977 119.950 -0.080 0.000 2.522 8 F HA 0.654 nan 4.527 nan 0.000 0.324 8 F C 0.526 176.295 175.800 -0.051 0.000 1.077 8 F CA -0.744 57.229 58.000 -0.045 0.000 0.944 8 F CB 2.779 41.761 39.000 -0.030 0.000 1.175 8 F HN 0.076 8.380 8.300 0.007 0.000 0.468 9 G N 1.154 110.067 108.800 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 0.165 175.086 174.900 0.033 0.000 1.299 9 G CA 1.302 46.457 45.100 0.092 0.000 0.989 9 G HN 0.497 8.931 8.290 0.240 0.000 0.547 10 N N 3.325 122.038 118.700 0.021 0.000 2.137 10 N HA -0.381 nan 4.740 nan 0.000 0.190 10 N C 1.832 177.327 175.510 -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 38.320 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 -0.599 119.780 120.400 -0.035 0.000 2.264 11 D HA -0.201 nan 4.640 nan 0.000 0.208 11 D C 1.185 177.390 176.300 -0.159 0.000 0.966 11 D CA 2.784 56.730 54.000 -0.090 0.000 0.864 11 D CB -0.520 40.228 40.800 -0.088 0.000 0.933 11 D HN -0.397 7.948 8.370 -0.010 0.019 0.499 12 A N -0.605 122.143 122.820 -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 2.460 54.419 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 -0.065 0.169 0.446 13 G N -1.542 107.240 108.800 -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 1.078 175.971 174.900 -0.010 0.000 1.150 13 G CA 2.010 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 -2.644 117.255 119.914 -0.025 0.000 2.626 14 V HA -0.132 nan 4.120 nan 0.000 0.252 14 V C 1.744 177.831 176.094 -0.011 0.000 1.067 14 V CA 3.014 65.302 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 0.065 120.455 120.400 -0.017 0.000 2.098 15 K HA -0.081 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 1.815 58.117 56.287 0.026 0.000 0.957 15 K CB -0.609 31.915 32.500 0.041 0.000 0.738 15 K HN -0.689 7.399 8.250 -0.043 0.136 0.447 16 M N -0.449 119.178 119.600 0.044 0.000 2.117 16 M HA -0.336 nan 4.480 nan 0.000 0.262 16 M C 2.420 178.738 176.300 0.029 0.000 1.065 16 M CA 3.841 59.167 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 -0.456 7.851 8.290 0.029 0.000 0.408 17 L N -1.521 119.715 121.223 0.021 0.000 2.027 17 L HA -0.316 nan 4.340 nan 0.000 0.206 17 L C 1.538 178.417 176.870 0.016 0.000 1.074 17 L CA 3.259 58.108 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 -0.249 7.986 8.230 0.017 0.005 0.433 18 R N -1.662 118.848 120.500 0.017 0.000 2.119 18 R HA -0.420 nan 4.340 nan 0.000 0.246 18 R C 2.715 179.027 176.300 0.019 0.000 1.146 18 R CA 3.849 59.960 56.100 0.017 0.000 0.962 18 R CB -0.223 30.088 30.300 0.020 0.000 0.863 18 R HN -0.256 8.024 8.270 0.016 0.000 0.442 19 G N -4.969 103.846 108.800 0.025 0.000 2.939 19 G HA2 0.092 nan 3.960 nan 0.000 0.210 19 G HA3 0.092 nan 3.960 nan 0.000 0.210 19 G C 0.574 175.484 174.900 0.017 0.000 1.160 19 G CA 0.614 45.727 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 3.269 123.194 119.914 0.017 0.000 2.446 20 V HA -0.272 nan 4.120 nan 0.000 0.244 20 V C 1.514 177.615 176.094 0.012 0.000 1.039 20 V CA 3.589 65.898 62.300 0.015 0.000 1.045 20 V CB -0.204 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 -0.765 117.942 118.700 0.011 0.000 2.166 21 N HA -0.275 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 3.422 56.477 53.050 0.009 0.000 0.856 21 N CB -0.557 37.935 38.487 0.008 0.000 0.993 21 N HN -0.044 8.343 8.380 0.012 0.000 0.426 22 V N 0.573 120.492 119.914 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 4.049 66.353 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 0.091 0.445 23 L N -0.856 120.370 121.223 0.006 0.000 1.990 23 L HA -0.437 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 -2.150 120.675 122.820 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 -1.002 18.003 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 -1.211 119.192 120.400 0.005 0.000 2.182 25 D HA -0.265 nan 4.640 nan 0.000 0.201 25 D C 1.487 177.789 176.300 0.004 0.000 0.986 25 D CA 2.839 56.841 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 8.435 8.370 0.006 0.118 0.467 26 A N -2.101 120.722 122.820 0.004 0.000 1.903 26 A HA 0.024 nan 4.320 nan 0.000 0.213 26 A C 1.476 179.062 177.584 0.004 0.000 1.185 26 A CA 2.422 54.461 52.037 0.003 0.000 0.628 26 A CB 0.599 19.600 19.000 0.003 0.000 0.830 26 A HN -0.605 7.522 8.150 0.004 0.026 0.446 27 V N -2.122 117.795 119.914 0.004 0.000 2.535 27 V HA -0.184 nan 4.120 nan 0.000 0.246 27 V C 2.229 178.327 176.094 0.006 0.000 1.045 27 V CA 3.347 65.650 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 -0.020 120.383 120.400 0.005 0.000 2.442 28 K HA -0.247 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 31.926 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 -0.502 119.414 119.914 0.004 0.000 2.759 29 V HA -0.203 nan 4.120 nan 0.000 0.256 29 V C 1.010 177.107 176.094 0.004 0.000 1.080 29 V CA 3.075 65.378 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 -0.013 8.008 8.190 0.004 0.171 0.477 30 T N -4.809 109.749 114.554 0.005 0.000 3.081 30 T HA -0.001 nan 4.350 nan 0.000 0.250 30 T C 0.225 174.930 174.700 0.007 0.000 1.100 30 T CA 0.048 62.152 62.100 0.006 0.000 1.038 30 T CB -0.033 68.839 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 3.388 124.615 121.223 0.007 0.000 2.453 31 L HA -0.095 nan 4.340 nan 0.000 0.272 31 L C -0.227 176.649 176.870 0.009 0.000 1.182 31 L CA 1.383 56.228 54.840 0.008 0.000 0.858 31 L CB 0.405 42.469 42.059 0.007 0.000 1.120 31 L HN -0.719 7.332 8.230 0.006 0.182 0.474 32 G N 3.096 111.903 108.800 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 -1.805 173.103 174.900 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 0.804 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 -1.526 118.882 120.400 0.013 0.000 3.010 34 K HA 0.254 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 -1.187 31.322 32.500 0.015 0.000 0.908 34 K HN -0.081 8.119 8.250 0.016 0.060 0.463 35 G N -0.651 108.154 108.800 0.009 0.000 2.544 35 G HA2 0.009 nan 3.960 nan 0.000 0.242 35 G HA3 0.009 nan 3.960 nan 0.000 0.242 35 G C -1.277 173.627 174.900 0.006 0.000 1.247 35 G CA -0.084 45.021 45.100 0.008 0.000 0.840 35 G HN -0.628 7.582 8.290 0.009 0.086 0.578 36 R N 1.469 121.973 120.500 0.006 0.000 2.596 36 R HA 0.133 nan 4.340 nan 0.000 0.267 36 R C -0.528 175.775 176.300 0.005 0.000 1.026 36 R CA -2.598 53.505 56.100 0.005 0.000 1.087 36 R CB 1.491 31.794 30.300 0.004 0.000 1.132 36 R HN 0.014 8.287 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 0.171 53.224 53.050 0.005 0.000 0.969 37 N CB 1.193 39.683 38.487 0.005 0.000 1.173 37 N HN -0.156 8.226 8.380 0.004 0.000 0.475 38 V N 2.376 122.293 119.914 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 -0.731 61.571 62.300 0.004 0.000 0.872 38 V CB 3.297 35.123 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 6.569 126.485 119.914 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 -0.888 61.414 62.300 0.003 0.000 0.866 39 V CB -0.991 30.834 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 9.023 130.248 121.223 0.002 0.000 2.277 40 L HA 0.331 nan 4.340 nan 0.000 0.284 40 L C -0.579 176.291 176.870 -0.001 0.000 1.028 40 L CA -1.345 53.495 54.840 0.000 0.000 0.835 40 L CB 0.543 42.603 42.059 0.003 0.000 1.215 40 L HN 0.788 9.021 8.230 0.004 0.000 0.425 41 D N 5.613 126.009 120.400 -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 0.988 54.982 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 0.010 120.398 120.400 -0.020 0.000 2.508 42 K HA 0.254 nan 4.320 nan 0.000 0.260 42 K C 0.815 177.368 176.600 -0.079 0.000 0.949 42 K CA -1.013 55.258 56.287 -0.027 0.000 0.834 42 K CB 2.672 35.180 32.500 0.013 0.000 1.365 42 K HN -0.141 8.098 8.250 -0.019 0.000 0.437 43 S N 1.466 117.078 115.700 -0.147 0.000 2.381 43 S HA -0.265 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 2.595 60.559 58.200 -0.393 0.000 1.068 43 S CB -0.167 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 2.056 122.002 119.950 -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 57.462 58.000 -0.006 0.000 1.182 44 F CB -0.528 38.468 39.000 -0.007 0.000 1.383 44 F HN -0.639 7.673 8.300 0.021 0.000 0.541 45 G N 1.240 110.093 108.800 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 -0.213 44.923 45.100 0.061 0.000 1.051 45 G HN -0.395 7.839 8.290 0.008 0.061 0.572 46 A N 0.026 122.866 122.820 0.034 0.000 2.009 46 A HA -0.174 nan 4.320 nan 0.000 0.247 46 A C -2.306 175.292 177.584 0.024 0.000 1.355 46 A CA -0.540 51.514 52.037 0.028 0.000 0.696 46 A CB -0.515 18.505 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 -0.068 nan 4.420 nan 0.000 0.265 47 P C -0.525 176.783 177.300 0.013 0.000 1.187 47 P CA -0.190 62.916 63.100 0.011 0.000 0.766 47 P CB 0.436 32.139 31.700 0.005 0.000 0.820 48 T N -0.229 114.333 114.554 0.013 0.000 2.728 48 T HA 0.282 nan 4.350 nan 0.000 0.296 48 T C -0.173 174.533 174.700 0.010 0.000 0.940 48 T CA -1.070 61.038 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 0.221 8.468 8.240 0.011 0.000 0.484 49 I N 7.754 128.330 120.570 0.009 0.000 2.308 49 I HA 0.307 nan 4.170 nan 0.000 0.293 49 I C -0.192 175.930 176.117 0.008 0.000 1.078 49 I CA -0.014 61.291 61.300 0.007 0.000 1.292 49 I CB -0.767 37.237 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 72.015 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 -2.255 118.149 120.400 0.008 0.000 2.817 51 K HA 0.172 nan 4.320 nan 0.000 0.183 51 K C -2.202 174.403 176.600 0.008 0.000 1.145 51 K CA 0.022 56.313 56.287 0.007 0.000 1.114 51 K CB 1.328 33.833 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 -0.259 120.146 120.400 0.008 0.000 2.414 52 D HA 0.151 nan 4.640 nan 0.000 0.232 52 D C 0.877 177.181 176.300 0.007 0.000 1.070 52 D CA -1.531 52.474 54.000 0.009 0.000 0.839 52 D CB 1.012 41.818 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 0.909 175.811 174.900 0.004 0.000 1.173 53 G CA 2.375 47.479 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 0.410 120.325 119.914 0.003 0.000 2.223 54 V HA -0.437 nan 4.120 nan 0.000 0.244 54 V C 1.892 177.988 176.094 0.003 0.000 1.045 54 V CA 4.066 66.366 62.300 0.000 0.000 1.000 54 V CB -0.338 31.484 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 -0.751 114.953 115.700 0.006 0.000 2.399 55 S HA -0.501 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 61.936 58.200 0.008 0.000 1.070 55 S CB -0.417 62.788 63.200 0.010 0.000 0.904 55 S HN -0.333 7.981 8.310 0.006 0.000 0.456 56 V N -0.513 119.404 119.914 0.005 0.000 2.307 56 V HA -0.314 nan 4.120 nan 0.000 0.245 56 V C 2.184 178.279 176.094 0.002 0.000 1.045 56 V CA 4.000 66.302 62.300 0.004 0.000 1.024 56 V CB -0.950 30.875 31.823 0.004 0.000 0.651 56 V HN -0.450 7.731 8.190 0.005 0.012 0.449 57 A N -0.106 122.715 122.820 0.002 0.000 1.972 57 A HA -0.279 nan 4.320 nan 0.000 0.219 57 A C 1.805 179.389 177.584 -0.000 0.000 1.169 57 A CA 2.927 54.964 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 -0.292 7.859 8.150 0.002 0.000 0.446 58 R N -2.032 118.468 120.500 0.001 0.000 2.159 58 R HA -0.308 nan 4.340 nan 0.000 0.237 58 R C 1.637 177.939 176.300 0.003 0.000 1.131 58 R CA 2.809 58.911 56.100 0.003 0.000 0.982 58 R CB 0.158 30.462 30.300 0.008 0.000 0.868 58 R HN -0.097 8.153 8.270 0.002 0.022 0.453 59 E N -2.661 117.540 120.200 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 55.517 56.400 -0.001 0.000 1.254 59 E CB -0.605 29.094 29.700 -0.001 0.000 1.240 59 E HN -0.571 7.653 8.360 0.002 0.138 0.439 60 I N 0.738 121.306 120.570 -0.003 0.000 2.466 60 I HA 0.116 nan 4.170 nan 0.000 0.279 60 I C -2.114 173.999 176.117 -0.006 0.000 1.033 60 I CA -0.483 60.814 61.300 -0.004 0.000 1.123 60 I CB 1.300 39.299 38.000 -0.002 0.000 1.237 60 I HN -0.251 7.878 8.210 -0.003 0.079 0.460 61 E N 7.517 127.712 120.200 -0.008 0.000 2.246 61 E HA 0.224 nan 4.350 nan 0.000 0.266 61 E C -1.822 174.772 176.600 -0.011 0.000 0.880 61 E CA -0.884 55.509 56.400 -0.012 0.000 0.762 61 E CB 2.702 32.393 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 4.727 125.945 121.223 -0.009 0.000 2.387 62 L HA 0.221 nan 4.340 nan 0.000 0.266 62 L C 0.384 177.248 176.870 -0.010 0.000 1.059 62 L CA -0.678 54.159 54.840 -0.005 0.000 0.801 62 L CB 1.043 43.104 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 1.055 121.252 120.200 -0.006 0.000 2.150 63 E HA -0.278 nan 4.350 nan 0.000 0.193 63 E C 0.028 176.623 176.600 -0.008 0.000 0.985 63 E CA 2.160 58.555 56.400 -0.008 0.000 0.814 63 E CB 0.378 30.076 29.700 -0.003 0.000 0.752 63 E HN 0.437 8.796 8.360 -0.001 0.000 0.466 64 D N -1.041 119.362 120.400 0.006 0.000 2.304 64 D HA 0.031 nan 4.640 nan 0.000 0.250 64 D C 1.160 177.449 176.300 -0.018 0.000 1.107 64 D CA -0.283 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 4.712 125.057 120.400 -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 59.377 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 -3.036 116.898 119.950 -0.027 0.000 2.120 66 F HA -0.389 nan 4.527 nan 0.000 0.300 66 F C 2.219 178.005 175.800 -0.023 0.000 1.095 66 F CA 3.950 61.932 58.000 -0.030 0.000 1.249 66 F CB -0.653 38.328 39.000 -0.032 0.000 0.995 66 F HN -0.405 7.940 8.300 -0.187 -0.157 0.480 67 E N -1.870 118.420 120.200 0.149 0.000 2.072 67 E HA -0.418 nan 4.350 nan 0.000 0.190 67 E C 2.216 178.838 176.600 0.037 0.000 0.982 67 E CA 2.619 59.067 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 0.231 118.937 118.700 0.009 0.000 2.104 68 N HA -0.342 nan 4.740 nan 0.000 0.190 68 N C 2.057 177.559 175.510 -0.013 0.000 1.024 68 N CA 3.160 56.202 53.050 -0.013 0.000 0.853 68 N CB 0.301 38.765 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 -0.784 118.805 119.600 -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 4.107 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 8.625 8.290 -0.030 0.070 0.413 70 G N -4.074 104.747 108.800 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 0.485 175.398 174.900 0.022 0.000 1.109 70 G CA 2.087 47.208 45.100 0.035 0.000 0.749 70 G HN -0.033 8.291 8.290 0.056 0.000 0.568 71 A N 0.428 123.257 122.820 0.015 0.000 1.942 71 A HA 0.194 nan 4.320 nan 0.000 0.209 71 A C 1.982 179.568 177.584 0.003 0.000 1.214 71 A CA 1.560 53.603 52.037 0.009 0.000 0.686 71 A CB -0.108 18.896 19.000 0.007 0.000 0.871 71 A HN -0.399 7.591 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 -0.297 nan 4.340 nan 0.000 0.209 72 Q C 2.494 178.490 176.000 -0.006 0.000 0.977 72 Q CA 2.216 58.014 55.803 -0.008 0.000 0.885 72 Q CB -0.578 28.151 28.738 -0.015 0.000 0.941 72 Q HN 0.252 8.521 8.270 -0.003 0.000 0.464 73 M N -0.617 118.983 119.600 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 4.340 59.643 55.300 0.005 0.000 1.143 73 M CB 0.103 32.710 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 -1.387 118.533 119.914 0.010 0.000 2.688 74 V HA -0.448 nan 4.120 nan 0.000 0.256 74 V C 2.342 178.436 176.094 -0.000 0.000 1.084 74 V CA 3.812 66.119 62.300 0.012 0.000 1.103 74 V CB -1.587 30.244 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 -2.161 118.235 120.400 -0.007 0.000 2.137 75 K HA -0.168 nan 4.320 nan 0.000 0.202 75 K C 1.488 178.069 176.600 -0.032 0.000 1.052 75 K CA 2.881 59.158 56.287 -0.017 0.000 0.961 75 K CB -0.244 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 -0.102 nan 4.350 nan 0.000 0.191 76 E C 1.734 178.288 176.600 -0.077 0.000 0.982 76 E CA 2.538 58.912 56.400 -0.045 0.000 0.823 76 E CB 0.907 30.589 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 2.254 178.232 176.094 -0.193 0.000 1.036 77 V CA 3.972 66.218 62.300 -0.090 0.000 1.020 77 V CB -0.318 31.524 31.823 0.032 0.000 0.657 77 V HN -0.450 7.723 8.190 -0.030 0.000 0.453 78 A N -1.536 121.234 122.820 -0.084 0.000 2.178 78 A HA -0.288 nan 4.320 nan 0.000 0.218 78 A C 1.324 178.825 177.584 -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 17.981 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 -3.322 112.281 115.700 -0.161 0.000 2.387 79 S HA -0.266 nan 4.470 nan 0.000 0.226 79 S C 1.765 176.234 174.600 -0.219 0.000 1.026 79 S CA 2.935 61.049 58.200 -0.143 0.000 0.972 79 S CB -0.238 62.899 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 -0.179 nan 4.320 nan 0.000 0.196 80 K C 1.468 177.702 176.600 -0.611 0.000 1.038 80 K CA 1.677 57.619 56.287 -0.575 0.000 0.967 80 K CB -0.468 31.516 32.500 -0.859 0.000 0.780 80 K HN -0.278 7.582 8.250 -0.415 0.141 0.483 81 A N -0.152 122.411 122.820 -0.428 0.000 1.823 81 A HA -0.226 nan 4.320 nan 0.000 0.214 81 A C 1.126 178.700 177.584 -0.017 0.000 1.225 81 A CA 2.751 54.753 52.037 -0.057 0.000 0.604 81 A CB -0.491 18.526 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 -0.541 118.135 118.700 -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 3.134 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 -0.120 8.225 8.380 -0.058 0.000 0.427 83 D N 0.068 120.423 120.400 -0.074 0.000 2.191 83 D HA -0.286 nan 4.640 nan 0.000 0.195 83 D C 0.764 177.039 176.300 -0.042 0.000 1.003 83 D CA 2.986 56.942 54.000 -0.073 0.000 0.867 83 D CB -0.202 40.544 40.800 -0.090 0.000 0.926 83 D HN -0.328 7.986 8.370 -0.094 0.000 0.450 84 A N -3.318 119.500 122.820 -0.004 0.000 1.993 84 A HA 0.126 nan 4.320 nan 0.000 0.207 84 A C 0.280 177.890 177.584 0.045 0.000 1.224 84 A CA 1.593 53.654 52.037 0.041 0.000 0.749 84 A CB 0.844 19.913 19.000 0.116 0.000 0.884 84 A HN -0.428 7.597 8.150 -0.011 0.119 0.467 85 A N -4.604 118.248 122.820 0.053 0.000 2.014 85 A HA 0.116 nan 4.320 nan 0.000 0.210 85 A C 0.543 178.143 177.584 0.027 0.000 1.188 85 A CA 0.943 53.010 52.037 0.050 0.000 0.731 85 A CB 0.921 19.964 19.000 0.072 0.000 0.858 85 A HN 0.325 8.509 8.150 0.056 0.000 0.464 86 G N -3.137 105.666 108.800 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 0.274 45.366 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 -0.764 119.646 120.400 0.018 0.000 2.714 87 D HA 0.277 nan 4.640 nan 0.000 0.278 87 D C -0.589 175.728 176.300 0.030 0.000 1.102 87 D CA -1.861 52.152 54.000 0.021 0.000 1.108 87 D CB 2.027 42.844 40.800 0.029 0.000 1.444 87 D HN -0.630 7.668 8.370 0.027 0.089 0.568 88 G N -2.480 106.338 108.800 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 0.816 175.736 174.900 0.034 0.000 0.997 88 G CA 0.695 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 4.035 118.596 114.554 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 5.316 67.416 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 1.708 116.269 114.554 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 66.783 62.100 0.012 0.000 1.148 90 T CB -0.813 68.062 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 1.412 176.132 174.700 0.033 0.000 1.039 91 T CA 4.588 66.704 62.100 0.026 0.000 1.142 91 T CB -0.855 68.031 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 0.827 123.673 122.820 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 3.167 55.239 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 8.454 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 2.245 176.956 174.700 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 68.613 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 2.743 122.668 119.914 0.018 0.000 2.379 94 V HA -0.273 nan 4.120 nan 0.000 0.245 94 V C 1.634 177.737 176.094 0.016 0.000 1.044 94 V CA 4.389 66.697 62.300 0.014 0.000 1.036 94 V CB -0.887 30.943 31.823 0.012 0.000 0.664 94 V HN 0.015 8.124 8.190 0.020 0.092 0.453 95 L N -1.864 119.371 121.223 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 3.327 58.180 54.840 0.022 0.000 0.752 95 L CB -0.819 41.255 42.059 0.026 0.000 0.906 95 L HN 0.415 8.659 8.230 0.025 0.000 0.436 96 A N -1.789 121.049 122.820 0.030 0.000 1.933 96 A HA -0.397 nan 4.320 nan 0.000 0.218 96 A C 1.795 179.393 177.584 0.023 0.000 1.175 96 A CA 3.235 55.291 52.037 0.031 0.000 0.628 96 A CB -1.027 17.995 19.000 0.037 0.000 0.814 96 A HN 0.072 8.130 8.150 0.034 0.112 0.444 97 Q N -0.746 119.065 119.800 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 2.989 58.801 55.803 0.015 0.000 0.840 97 Q CB -0.155 28.590 28.738 0.012 0.000 0.898 97 Q HN -0.371 7.826 8.270 0.020 0.085 0.430 98 A N 0.056 122.883 122.820 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 -1.502 119.075 120.570 0.012 0.000 2.202 99 I HA -0.566 nan 4.170 nan 0.000 0.242 99 I C 2.027 178.152 176.117 0.012 0.000 1.091 99 I CA 4.259 65.566 61.300 0.012 0.000 1.368 99 I CB 0.031 38.040 38.000 0.014 0.000 1.058 99 I HN -0.162 8.056 8.210 0.014 0.000 0.410 100 I N -0.647 119.932 120.570 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 4.742 66.051 61.300 0.015 0.000 1.363 100 I CB -0.501 37.510 38.000 0.017 0.000 1.051 100 I HN -0.156 8.064 8.210 0.016 0.000 0.413 101 T N 2.261 116.821 114.554 0.010 0.000 2.643 101 T HA -0.342 nan 4.350 nan 0.000 0.264 101 T C 2.363 177.067 174.700 0.006 0.000 1.045 101 T CA 4.948 67.052 62.100 0.008 0.000 1.155 101 T CB -0.538 68.334 68.868 0.007 0.000 0.863 101 T HN -0.160 8.086 8.240 0.011 0.000 0.420 102 E N -0.584 119.620 120.200 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 1.568 57.971 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 -0.527 7.837 8.360 0.006 0.000 0.504 103 G N 0.022 108.827 108.800 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 0.305 8.474 8.290 0.008 0.126 0.533 104 L N 0.499 121.727 121.223 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 2.506 57.351 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 -1.646 118.757 120.400 0.005 0.000 2.152 105 K HA -0.363 nan 4.320 nan 0.000 0.206 105 K C 2.195 178.797 176.600 0.003 0.000 1.048 105 K CA 3.200 59.489 56.287 0.004 0.000 0.933 105 K CB -0.389 32.112 32.500 0.003 0.000 0.721 105 K HN -0.596 7.640 8.250 0.005 0.018 0.447 106 A N -1.018 121.805 122.820 0.004 0.000 1.872 106 A HA -0.081 nan 4.320 nan 0.000 0.214 106 A C 2.102 179.689 177.584 0.005 0.000 1.187 106 A CA 2.658 54.698 52.037 0.004 0.000 0.614 106 A CB -0.621 18.381 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 -0.752 119.166 119.914 0.006 0.000 2.278 107 V HA -0.482 nan 4.120 nan 0.000 0.251 107 V C 2.600 178.698 176.094 0.006 0.000 1.062 107 V CA 3.886 66.190 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 -1.174 121.649 122.820 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 2.666 54.705 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 -0.158 7.990 8.150 0.005 0.004 0.448 109 A N -3.423 119.398 122.820 0.002 0.000 2.238 109 A HA 0.009 nan 4.320 nan 0.000 0.208 109 A C 0.110 177.695 177.584 0.001 0.000 1.177 109 A CA 0.081 52.118 52.037 0.001 0.000 0.804 109 A CB 0.264 19.265 19.000 0.001 0.000 0.823 109 A HN -0.193 7.800 8.150 0.003 0.158 0.482 110 G N -2.977 105.825 108.800 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 -0.012 174.890 174.900 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 7.810 8.290 0.003 0.194 0.503 111 M N 1.059 120.661 119.600 0.003 0.000 2.251 111 M HA -0.286 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 0.896 56.198 55.300 0.004 0.000 1.061 111 M CB 0.334 32.937 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 5.282 123.985 118.700 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 -0.268 52.786 53.050 0.006 0.000 0.877 112 N CB 0.434 38.924 38.487 0.005 0.000 1.096 112 N HN 0.105 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 1.209 178.515 177.300 0.011 0.000 1.150 113 P CA 2.462 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 -3.766 115.841 119.600 0.011 0.000 2.159 114 M HA -0.259 nan 4.480 nan 0.000 0.263 114 M C 2.320 178.625 176.300 0.008 0.000 1.063 114 M CA 1.554 56.860 55.300 0.010 0.000 1.110 114 M CB -1.618 30.987 32.600 0.009 0.000 1.374 114 M HN -0.289 8.140 8.290 0.010 -0.132 0.411 115 D N 0.510 120.914 120.400 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 3.002 57.005 54.000 0.005 0.000 0.846 115 D CB -0.149 40.653 40.800 0.005 0.000 0.962 115 D HN -0.454 8.108 8.370 0.007 -0.188 0.490 116 L N -0.334 120.893 121.223 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 3.238 58.082 54.840 0.006 0.000 0.747 116 L CB -0.127 41.936 42.059 0.007 0.000 0.896 116 L HN 0.386 8.438 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 -0.334 nan 4.320 nan 0.000 0.204 117 K C 2.203 178.806 176.600 0.005 0.000 1.052 117 K CA 3.198 59.489 56.287 0.007 0.000 0.945 117 K CB -0.259 32.247 32.500 0.010 0.000 0.722 117 K HN -0.049 8.204 8.250 0.008 0.002 0.443 118 R N -1.194 119.309 120.500 0.005 0.000 2.081 118 R HA -0.295 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 3.296 59.398 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 7.920 8.270 0.006 0.085 0.436 119 G N -1.683 107.119 108.800 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 1.574 46.675 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 1.196 121.767 120.570 0.002 0.000 2.399 120 I HA -0.516 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 3.329 64.630 61.300 0.002 0.000 1.412 120 I CB -0.178 37.824 38.000 0.004 0.000 1.076 120 I HN -0.034 8.177 8.210 0.003 0.000 0.432 121 D N -2.596 117.802 120.400 -0.002 0.000 2.249 121 D HA 0.009 nan 4.640 nan 0.000 0.205 121 D C 1.763 178.058 176.300 -0.008 0.000 0.962 121 D CA 2.544 56.540 54.000 -0.006 0.000 0.860 121 D CB -0.384 40.413 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 2.446 58.730 56.287 -0.005 0.000 0.939 122 K CB 0.028 32.526 32.500 -0.002 0.000 0.717 122 K HN -0.638 7.489 8.250 -0.003 0.121 0.438 123 A N -1.858 120.959 122.820 -0.004 0.000 2.131 123 A HA -0.185 nan 4.320 nan 0.000 0.220 123 A C 2.434 180.014 177.584 -0.006 0.000 1.158 123 A CA 2.922 54.957 52.037 -0.003 0.000 0.665 123 A CB -0.803 18.196 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 -1.815 118.093 119.914 -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 4.607 66.898 62.300 -0.016 0.000 1.013 124 V CB -0.734 31.075 31.823 -0.024 0.000 0.652 124 V HN -0.215 7.925 8.190 -0.010 0.045 0.452 125 T N 2.255 116.799 114.554 -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 66.482 62.100 -0.016 0.000 1.139 125 T CB -0.546 68.314 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 0.346 120.256 119.914 -0.008 0.000 2.302 126 V HA -0.277 nan 4.120 nan 0.000 0.243 126 V C 1.413 177.504 176.094 -0.004 0.000 1.036 126 V CA 3.896 66.193 62.300 -0.004 0.000 1.020 126 V CB -1.028 30.794 31.823 -0.002 0.000 0.657 126 V HN -0.369 7.794 8.190 -0.008 0.023 0.453 127 A N -0.309 122.508 122.820 -0.005 0.000 1.903 127 A HA -0.425 nan 4.320 nan 0.000 0.219 127 A C 1.881 179.462 177.584 -0.005 0.000 1.191 127 A CA 3.486 55.521 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 -0.295 7.744 8.150 -0.006 0.107 0.451 128 V N -2.110 117.798 119.914 -0.010 0.000 2.332 128 V HA -0.536 nan 4.120 nan 0.000 0.248 128 V C 2.147 178.238 176.094 -0.005 0.000 1.055 128 V CA 4.878 67.172 62.300 -0.011 0.000 1.038 128 V CB -0.905 30.906 31.823 -0.021 0.000 0.651 128 V HN 0.367 8.547 8.190 -0.014 0.002 0.450 129 E N -1.728 118.469 120.200 -0.004 0.000 2.085 129 E HA -0.427 nan 4.350 nan 0.000 0.194 129 E C 2.666 179.267 176.600 0.002 0.000 0.994 129 E CA 3.085 59.485 56.400 -0.001 0.000 0.801 129 E CB -0.535 29.165 29.700 -0.000 0.000 0.743 129 E HN -0.410 7.861 8.360 -0.006 0.085 0.453 130 E N -1.219 118.983 120.200 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 2.661 59.065 56.400 0.006 0.000 0.802 130 E CB 0.070 29.773 29.700 0.007 0.000 0.759 130 E HN -0.260 8.000 8.360 0.001 0.100 0.447 131 L N -4.512 116.716 121.223 0.007 0.000 2.353 131 L HA -0.207 nan 4.340 nan 0.000 0.220 131 L C 2.091 178.967 176.870 0.010 0.000 1.133 131 L CA 2.967 57.813 54.840 0.010 0.000 0.798 131 L CB -0.913 41.151 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 -1.644 118.760 120.400 0.007 0.000 2.305 132 K HA -0.154 nan 4.320 nan 0.000 0.199 132 K C 1.089 177.695 176.600 0.009 0.000 1.047 132 K CA 1.369 57.661 56.287 0.008 0.000 0.976 132 K CB -0.868 31.635 32.500 0.005 0.000 0.765 132 K HN -0.361 7.845 8.250 0.005 0.048 0.474 133 A N -1.212 121.613 122.820 0.010 0.000 1.975 133 A HA -0.062 nan 4.320 nan 0.000 0.215 133 A C 1.335 178.927 177.584 0.014 0.000 1.170 133 A CA 1.760 53.804 52.037 0.011 0.000 0.656 133 A CB 0.021 19.027 19.000 0.011 0.000 0.821 133 A HN -0.247 7.745 8.150 0.009 0.164 0.449 134 L N -2.699 118.534 121.223 0.016 0.000 2.376 134 L HA -0.079 nan 4.340 nan 0.000 0.219 134 L C 0.035 176.917 176.870 0.020 0.000 1.133 134 L CA 0.715 55.567 54.840 0.020 0.000 0.816 134 L CB 0.395 42.467 42.059 0.022 0.000 0.933 134 L HN -0.417 7.735 8.230 0.014 0.087 0.449 135 S N -2.226 113.484 115.700 0.017 0.000 2.572 135 S HA -0.073 nan 4.470 nan 0.000 0.279 135 S C -0.950 173.660 174.600 0.016 0.000 1.341 135 S CA 0.144 58.354 58.200 0.017 0.000 1.043 135 S CB 0.737 63.946 63.200 0.015 0.000 0.887 135 S HN -0.675 7.485 8.310 0.015 0.159 0.516 136 V N 6.999 126.923 119.914 0.017 0.000 2.347 136 V HA 0.389 nan 4.120 nan 0.000 0.280 136 V C -1.089 175.014 176.094 0.014 0.000 1.021 136 V CA -3.660 58.650 62.300 0.016 0.000 0.847 136 V CB 0.611 32.444 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 0.037 nan 4.420 nan 0.000 0.273 137 P C -1.538 175.768 177.300 0.011 0.000 1.258 137 P CA 0.077 63.184 63.100 0.011 0.000 0.802 137 P CB 0.734 32.440 31.700 0.010 0.000 1.040 138 C N -1.425 117.881 119.300 0.010 0.000 3.384 138 C HA 0.278 nan 4.460 nan 0.000 0.294 138 C C 0.438 175.432 174.990 0.008 0.000 1.062 138 C CA -1.371 57.652 59.018 0.009 0.000 1.325 138 C CB -0.466 27.280 27.740 0.011 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 -0.553 174.049 174.600 0.004 0.000 0.952 139 S CA 0.140 58.343 58.200 0.005 0.000 0.887 139 S CB 0.255 63.458 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 1.936 122.338 120.400 0.004 0.000 2.515 140 D HA -0.109 nan 4.640 nan 0.000 0.230 140 D C 1.259 177.561 176.300 0.002 0.000 1.181 140 D CA 0.784 54.786 54.000 0.003 0.000 0.875 140 D CB 0.508 41.310 40.800 0.003 0.000 1.213 140 D HN -0.177 8.195 8.370 0.004 0.000 0.478 141 S N 3.154 118.855 115.700 0.001 0.000 2.374 141 S HA -0.442 nan 4.470 nan 0.000 0.227 141 S C 1.824 176.424 174.600 -0.000 0.000 1.037 141 S CA 3.711 61.911 58.200 -0.001 0.000 1.024 141 S CB 0.094 63.294 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 -0.094 120.307 120.400 0.000 0.000 2.097 142 K HA -0.248 nan 4.320 nan 0.000 0.206 142 K C 1.489 178.090 176.600 0.002 0.000 1.049 142 K CA 2.646 58.933 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 0.295 123.117 122.820 0.003 0.000 1.828 143 A HA -0.224 nan 4.320 nan 0.000 0.215 143 A C 1.914 179.500 177.584 0.003 0.000 1.203 143 A CA 2.855 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 -0.483 7.812 8.150 0.003 -0.144 0.445 144 I N -1.509 119.063 120.570 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 3.613 64.914 61.300 0.001 0.000 1.358 144 I CB -0.336 37.663 38.000 -0.000 0.000 1.047 144 I HN -0.249 7.963 8.210 0.003 0.000 0.422 145 A N -1.472 121.347 122.820 -0.001 0.000 1.854 145 A HA -0.339 nan 4.320 nan 0.000 0.214 145 A C 1.909 179.492 177.584 -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 7.971 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 3.523 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 0.035 8.115 8.270 0.001 0.191 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 3.886 66.189 62.300 0.005 0.000 1.049 147 V CB -0.918 30.909 31.823 0.008 0.000 0.672 147 V HN -0.076 8.117 8.190 0.004 0.000 0.457 148 G N -1.272 107.527 108.800 -0.002 0.000 2.433 148 G HA2 -0.376 nan 3.960 nan 0.000 0.216 148 G HA3 -0.376 nan 3.960 nan 0.000 0.216 148 G C 0.842 175.738 174.900 -0.008 0.000 1.186 148 G CA 2.547 47.642 45.100 -0.008 0.000 0.779 148 G HN 0.234 8.335 8.290 -0.002 0.188 0.543 149 T N 1.816 116.367 114.554 -0.006 0.000 2.607 149 T HA -0.427 nan 4.350 nan 0.000 0.267 149 T C 2.511 177.208 174.700 -0.004 0.000 1.049 149 T CA 3.475 65.572 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 -0.195 8.043 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 -0.645 nan 4.170 nan 0.000 0.242 150 I C 2.239 178.357 176.117 0.002 0.000 1.064 150 I CA 3.680 64.980 61.300 0.001 0.000 1.320 150 I CB -0.577 37.425 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 -0.451 115.250 115.700 0.002 0.000 2.442 151 S HA -0.271 nan 4.470 nan 0.000 0.236 151 S C 0.180 174.780 174.600 -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 -0.436 7.876 8.310 0.002 0.000 0.504 152 A N -1.485 121.332 122.820 -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 -0.440 51.593 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 -3.148 115.551 118.700 -0.002 0.000 2.741 153 N HA -0.382 nan 4.740 nan 0.000 0.251 153 N C -0.632 174.877 175.510 -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 37.370 38.487 -0.001 0.000 1.119 153 N HN -0.058 8.100 8.380 -0.000 0.221 0.561 154 S N -4.904 110.795 115.700 -0.003 0.000 4.035 154 S HA -0.339 nan 4.470 nan 0.000 0.339 154 S C -1.607 172.990 174.600 -0.005 0.000 1.040 154 S CA 0.864 59.062 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 0.221 8.397 8.310 -0.003 0.132 0.496 155 D N 0.840 121.237 120.400 -0.006 0.000 2.500 155 D HA 0.205 nan 4.640 nan 0.000 0.219 155 D C 0.487 176.783 176.300 -0.007 0.000 1.137 155 D CA -2.253 51.743 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 -0.722 7.644 8.370 -0.006 0.000 0.518 156 E N 3.901 124.098 120.200 -0.006 0.000 2.233 156 E HA -0.502 nan 4.350 nan 0.000 0.210 156 E C 1.757 178.353 176.600 -0.007 0.000 1.046 156 E CA 2.738 59.135 56.400 -0.006 0.000 0.844 156 E CB -0.744 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 2.092 116.641 114.554 -0.008 0.000 2.555 157 T HA -0.342 nan 4.350 nan 0.000 0.264 157 T C 1.974 176.667 174.700 -0.012 0.000 1.083 157 T CA 3.320 65.414 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 1.810 121.716 119.914 -0.014 0.000 2.277 158 V HA -0.486 nan 4.120 nan 0.000 0.253 158 V C 1.840 177.923 176.094 -0.018 0.000 1.067 158 V CA 3.808 66.097 62.300 -0.018 0.000 1.047 158 V CB -1.255 30.555 31.823 -0.021 0.000 0.649 158 V HN -0.294 8.038 8.190 -0.013 -0.149 0.447 159 G N -2.715 106.076 108.800 -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 0.748 175.641 174.900 -0.012 0.000 1.180 159 G CA 2.393 47.486 45.100 -0.012 0.000 0.774 159 G HN -0.224 8.059 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 2.534 179.127 176.600 -0.012 0.000 1.046 160 K CA 2.665 58.947 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 -0.825 120.389 121.223 -0.015 0.000 2.068 161 L HA -0.286 nan 4.340 nan 0.000 0.204 161 L C 1.686 178.544 176.870 -0.020 0.000 1.076 161 L CA 2.885 57.715 54.840 -0.018 0.000 0.753 161 L CB 0.115 42.160 42.059 -0.022 0.000 0.910 161 L HN -0.383 7.673 8.230 -0.016 0.165 0.439 162 I N -0.944 119.613 120.570 -0.022 0.000 2.361 162 I HA -0.460 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 1.705 62.991 61.300 -0.023 0.000 1.413 162 I CB -1.893 36.091 38.000 -0.026 0.000 1.073 162 I HN -0.127 8.070 8.210 -0.023 0.000 0.424 163 A N -1.149 121.664 122.820 -0.012 0.000 1.968 163 A HA -0.244 nan 4.320 nan 0.000 0.217 163 A C 1.963 179.543 177.584 -0.008 0.000 1.169 163 A CA 3.450 55.483 52.037 -0.008 0.000 0.638 163 A CB -0.735 18.261 19.000 -0.006 0.000 0.812 163 A HN 0.096 8.218 8.150 -0.012 0.021 0.446 164 E N -0.509 119.685 120.200 -0.009 0.000 2.051 164 E HA -0.289 nan 4.350 nan 0.000 0.189 164 E C 2.262 178.857 176.600 -0.009 0.000 0.979 164 E CA 2.607 59.002 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 -0.717 7.533 8.360 -0.011 0.103 0.451 165 A N 0.104 122.917 122.820 -0.012 0.000 1.849 165 A HA -0.309 nan 4.320 nan 0.000 0.217 165 A C 1.884 179.462 177.584 -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 0.542 8.684 8.150 -0.014 0.000 0.447 166 M N -2.821 116.774 119.600 -0.008 0.000 2.195 166 M HA -0.422 nan 4.480 nan 0.000 0.260 166 M C 1.570 177.869 176.300 -0.003 0.000 1.066 166 M CA 3.588 58.885 55.300 -0.004 0.000 1.089 166 M CB 0.129 32.727 32.600 -0.004 0.000 1.377 166 M HN -0.299 7.984 8.290 -0.011 0.000 0.411 167 D N -1.492 118.905 120.400 -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 56.900 54.000 -0.003 0.000 0.847 167 D CB 0.112 40.910 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 -0.390 120.008 120.400 -0.004 0.000 2.160 168 K HA -0.228 nan 4.320 nan 0.000 0.206 168 K C 0.819 177.417 176.600 -0.003 0.000 1.047 168 K CA 2.430 58.714 56.287 -0.004 0.000 0.930 168 K CB 0.602 33.099 32.500 -0.005 0.000 0.720 168 K HN 0.028 8.155 8.250 -0.005 0.120 0.450 169 V N -3.206 116.706 119.914 -0.003 0.000 3.187 169 V HA 0.234 nan 4.120 nan 0.000 0.402 169 V C -1.856 174.238 176.094 0.000 0.000 1.457 169 V CA -1.304 60.996 62.300 -0.001 0.000 1.409 169 V CB 0.243 32.065 31.823 -0.001 0.000 1.218 169 V HN -0.512 7.653 8.190 -0.003 0.024 0.595 170 G N -0.337 108.463 108.800 -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 -0.775 174.127 174.900 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 0.388 120.791 120.400 0.004 0.000 2.147 171 K HA -0.257 nan 4.320 nan 0.000 0.205 171 K C 0.287 176.892 176.600 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 8.568 8.250 0.003 0.000 0.446 172 E N -2.451 117.755 120.200 0.009 0.000 2.663 172 E HA 0.151 nan 4.350 nan 0.000 0.240 172 E C -0.683 175.925 176.600 0.012 0.000 1.227 172 E CA -1.218 55.189 56.400 0.012 0.000 1.528 172 E CB -1.365 28.342 29.700 0.011 0.000 1.472 172 E HN -0.229 8.115 8.360 0.007 0.020 0.433 173 G N -1.498 107.309 108.800 0.011 0.000 2.597 173 G HA2 0.215 nan 3.960 nan 0.000 0.317 173 G HA3 0.215 nan 3.960 nan 0.000 0.317 173 G C -1.839 173.069 174.900 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 1.843 121.764 119.914 0.012 0.000 2.223 174 V HA 0.275 nan 4.120 nan 0.000 0.249 174 V C -1.089 175.008 176.094 0.005 0.000 1.233 174 V CA -1.518 60.789 62.300 0.011 0.000 1.131 174 V CB -0.814 31.016 31.823 0.012 0.000 1.298 174 V HN 0.424 8.621 8.190 0.012 0.000 0.498 175 I N 8.566 129.138 120.570 0.004 0.000 2.532 175 I HA 0.388 nan 4.170 nan 0.000 0.292 175 I C -0.422 175.691 176.117 -0.007 0.000 1.014 175 I CA -0.103 61.193 61.300 -0.006 0.000 1.340 175 I CB 0.820 38.813 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 6.069 120.614 114.554 -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 2.525 71.387 68.868 -0.010 0.000 1.084 176 T HN 0.216 8.447 8.240 -0.016 0.000 0.483 177 V N -0.412 119.486 119.914 -0.027 0.000 2.204 177 V HA 0.504 nan 4.120 nan 0.000 0.264 177 V C -0.933 175.150 176.094 -0.020 0.000 1.106 177 V CA -2.670 59.610 62.300 -0.034 0.000 0.947 177 V CB -1.395 30.393 31.823 -0.058 0.000 1.164 177 V HN 0.418 8.598 8.190 -0.016 0.000 0.461 178 E N 5.099 125.289 120.200 -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 -0.099 56.294 56.400 -0.011 0.000 0.857 178 E CB 1.677 31.371 29.700 -0.009 0.000 1.040 178 E HN 0.044 8.393 8.360 -0.018 0.000 0.408 179 D N 2.759 123.154 120.400 -0.008 0.000 2.362 179 D HA -0.143 nan 4.640 nan 0.000 0.238 179 D C 0.285 176.581 176.300 -0.007 0.000 1.212 179 D CA 0.570 54.566 54.000 -0.007 0.000 0.902 179 D CB 1.727 42.524 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 -1.181 107.615 108.800 -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 -0.523 174.374 174.900 -0.005 0.000 1.237 180 G CA 0.036 45.132 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 -4.383 110.168 114.554 -0.004 0.000 3.105 181 T HA 0.233 nan 4.350 nan 0.000 0.257 181 T C 0.665 175.363 174.700 -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 0.443 nan 3.960 nan 0.000 0.247 182 G HA3 0.443 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 -0.268 44.830 45.100 -0.004 0.000 0.835 182 G HN -0.643 7.644 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 0.430 177.297 176.870 -0.005 0.000 1.111 183 L CA 1.622 56.460 54.840 -0.004 0.000 0.769 183 L CB -0.159 41.897 42.059 -0.004 0.000 0.914 183 L HN -0.012 8.216 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 -0.313 175.684 176.000 -0.006 0.000 0.954 184 Q CA 2.342 58.142 55.803 -0.005 0.000 0.898 184 Q CB 0.128 28.863 28.738 -0.005 0.000 0.985 184 Q HN 0.019 8.286 8.270 -0.004 0.000 0.567 185 D N -4.386 116.009 120.400 -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 53.909 54.000 -0.008 0.000 1.249 185 D CB 1.162 41.957 40.800 -0.009 0.000 4.942 185 D HN -0.117 8.249 8.370 -0.006 0.000 0.685 186 E N 2.747 122.942 120.200 -0.009 0.000 2.235 186 E HA 0.480 nan 4.350 nan 0.000 0.265 186 E C -1.747 174.847 176.600 -0.010 0.000 0.940 186 E CA -2.318 54.077 56.400 -0.008 0.000 0.819 186 E CB 2.839 32.535 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 0.913 122.131 121.223 -0.009 0.000 2.526 187 L HA 0.494 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 -0.521 54.314 54.840 -0.010 0.000 0.859 187 L CB 3.024 45.077 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 4.099 124.495 120.400 -0.008 0.000 2.878 188 D HA 0.033 nan 4.640 nan 0.000 0.211 188 D C -2.140 174.156 176.300 -0.006 0.000 1.271 188 D CA -0.664 53.332 54.000 -0.007 0.000 0.845 188 D CB 2.586 43.383 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 2.288 122.198 119.914 -0.006 0.000 2.405 189 V HA 0.170 nan 4.120 nan 0.000 0.264 189 V C -0.638 175.453 176.094 -0.005 0.000 1.048 189 V CA 0.031 62.328 62.300 -0.005 0.000 0.966 189 V CB -0.640 31.180 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 7.670 127.581 119.914 -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 -2.618 59.679 62.300 -0.004 0.000 0.956 190 V CB 4.706 36.526 31.823 -0.005 0.000 1.023 190 V HN -0.232 7.956 8.190 -0.004 0.000 0.435 191 E N 5.292 125.489 120.200 -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 1.273 57.671 56.400 -0.003 0.000 0.943 191 E CB 0.341 30.037 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 2.339 111.143 108.800 0.007 0.000 2.495 192 G HA2 0.405 nan 3.960 nan 0.000 0.294 192 G HA3 0.405 nan 3.960 nan 0.000 0.294 192 G C -2.935 171.984 174.900 0.031 0.000 1.397 192 G CA 0.173 45.282 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 -0.475 119.156 119.600 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 0.331 55.689 55.300 0.096 0.000 1.238 193 M CB 2.699 35.389 32.600 0.151 0.000 1.287 193 M HN 0.151 8.467 8.290 0.043 0.000 0.592 194 Q N -2.979 116.896 119.800 0.125 0.000 3.135 194 Q HA -0.355 nan 4.340 nan 0.000 0.048 194 Q C -1.754 174.366 176.000 0.201 0.000 1.656 194 Q CA 1.042 56.878 55.803 0.055 0.000 0.292 194 Q CB -0.702 28.045 28.738 0.014 0.000 0.586 194 Q HN -0.611 7.787 8.270 0.109 -0.062 0.322 195 F N 1.319 121.264 119.950 -0.010 0.000 2.741 195 F HA 0.401 nan 4.527 nan 0.000 0.313 195 F C -1.637 174.159 175.800 -0.005 0.000 1.153 195 F CA -1.795 56.201 58.000 -0.007 0.000 0.931 195 F CB 2.392 41.390 39.000 -0.004 0.000 1.335 195 F HN 0.274 8.321 8.300 -0.422 0.000 0.460 196 D N 0.579 121.131 120.400 0.253 0.000 2.941 196 D HA -0.113 nan 4.640 nan 0.000 0.236 196 D C -0.993 175.410 176.300 0.172 0.000 1.147 196 D CA 1.267 55.351 54.000 0.140 0.000 0.975 196 D CB -1.511 39.361 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 -0.198 120.376 120.500 0.123 0.000 2.422 197 R HA 0.254 nan 4.340 nan 0.000 0.307 197 R C -0.949 175.368 176.300 0.028 0.000 1.004 197 R CA -2.027 54.164 56.100 0.152 0.000 0.882 197 R CB 1.403 31.934 30.300 0.386 0.000 1.164 197 R HN -0.520 7.647 8.270 -0.063 0.066 0.489 198 G N 1.662 110.501 108.800 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 -0.672 174.374 174.900 0.243 0.000 1.216 198 G CA -0.697 44.445 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 -1.594 118.763 120.300 0.095 0.000 2.702 199 Y HA -0.152 nan 4.550 nan 0.000 0.336 199 Y C 0.147 176.240 175.900 0.321 0.000 1.235 199 Y CA -2.248 55.986 58.100 0.222 0.000 1.492 199 Y CB -0.463 38.170 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 1.084 122.684 121.223 0.628 0.000 2.191 200 L HA -0.123 nan 4.340 nan 0.000 0.212 200 L C 0.136 176.958 176.870 -0.079 0.000 1.103 200 L CA 1.333 56.346 54.840 0.287 0.000 0.769 200 L CB -0.543 41.700 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 -1.602 172.497 174.600 -0.834 0.000 1.098 201 S CA -3.205 54.595 58.200 -0.667 0.000 0.930 201 S CB 1.871 64.511 63.200 -0.933 0.000 1.070 201 S HN -0.696 7.588 8.310 0.006 0.029 0.480 202 P HA -0.167 nan 4.420 nan 0.000 0.215 202 P C 0.879 178.027 177.300 -0.253 0.000 1.157 202 P CA 2.055 64.769 63.100 -0.644 0.000 0.863 202 P CB -0.025 31.488 31.700 -0.312 0.000 0.787 203 Y N -4.958 115.162 120.300 -0.300 0.000 2.446 203 Y HA -0.213 nan 4.550 nan 0.000 0.287 203 Y C 1.208 177.089 175.900 -0.030 0.000 1.159 203 Y CA 0.480 58.489 58.100 -0.150 0.000 1.297 203 Y CB -1.354 37.004 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 -1.709 118.225 119.950 -0.026 0.000 2.373 204 F HA -0.235 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 1.205 59.234 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 2.978 205 I HA -0.374 nan 4.170 nan 0.000 0.293 205 I C -0.583 175.644 176.117 0.184 0.000 1.218 205 I CA 0.367 61.847 61.300 0.300 0.000 1.393 205 I CB -1.200 36.944 38.000 0.242 0.000 1.394 205 I HN -0.420 7.797 8.210 0.284 0.163 0.541 206 N N 8.970 127.757 118.700 0.146 0.000 0.000 206 N HA 0.043 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 0.419 53.520 53.050 0.085 0.000 0.000 206 N CB 1.188 39.707 38.487 0.054 0.000 0.000 206 N HN 0.091 8.566 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 0.750 109.578 108.800 0.046 0.000 0.000 211 G HA2 0.020 3.979 3.960 -0.000 0.000 0.000 211 G HA3 0.020 3.979 3.960 -0.000 0.000 0.000 211 G C -2.695 172.195 174.900 -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 -0.788 122.035 122.820 0.004 0.000 2.427 212 A HA 0.511 nan 4.320 nan 0.000 0.298 212 A C -0.255 177.336 177.584 0.012 0.000 1.036 212 A CA -0.487 51.522 52.037 -0.047 0.000 0.701 212 A CB 2.521 21.487 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 -1.582 118.337 119.914 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 -1.430 60.891 62.300 0.036 0.000 1.378 213 V CB -1.531 30.328 31.823 0.061 0.000 1.245 213 V HN 0.295 8.456 8.190 -0.048 0.000 0.467 214 E N 0.221 120.413 120.200 -0.014 0.000 2.637 214 E HA -0.366 nan 4.350 nan 0.000 0.231 214 E C -0.464 176.129 176.600 -0.012 0.000 1.226 214 E CA 0.878 57.267 56.400 -0.019 0.000 0.950 214 E CB -1.541 28.152 29.700 -0.012 0.000 1.049 214 E HN -0.528 7.721 8.360 -0.009 0.106 0.494 215 L N 4.387 125.599 121.223 -0.019 0.000 2.375 215 L HA 0.163 nan 4.340 nan 0.000 0.271 215 L C -0.098 176.770 176.870 -0.003 0.000 1.107 215 L CA -0.745 54.089 54.840 -0.011 0.000 0.806 215 L CB 1.360 43.408 42.059 -0.018 0.000 1.146 215 L HN -0.416 7.796 8.230 -0.031 0.000 0.447 216 E N 1.743 121.946 120.200 0.004 0.000 2.248 216 E HA 0.221 nan 4.350 nan 0.000 0.272 216 E C -0.893 175.721 176.600 0.023 0.000 1.008 216 E CA -0.940 55.467 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 1.451 117.171 115.700 0.034 0.000 4.285 217 S HA -0.319 nan 4.470 nan 0.000 0.181 217 S C -1.829 172.831 174.600 0.099 0.000 0.439 217 S CA 1.029 59.267 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 -2.056 175.475 177.300 0.384 0.000 1.256 218 P CA -1.464 61.741 63.100 0.175 0.000 0.819 218 P CB 2.006 33.759 31.700 0.088 0.000 1.377 219 F N -2.237 117.709 119.950 -0.007 0.000 2.612 219 F HA 0.203 nan 4.527 nan 0.000 0.332 219 F C -1.764 174.037 175.800 0.001 0.000 1.167 219 F CA -1.434 56.566 58.000 -0.001 0.000 0.970 219 F CB 2.678 41.679 39.000 0.001 0.000 1.234 219 F HN -0.104 8.369 8.300 0.288 0.000 0.453 220 I N 3.472 124.100 120.570 0.097 0.000 2.337 220 I HA 0.207 nan 4.170 nan 0.000 0.291 220 I C -1.244 174.915 176.117 0.070 0.000 1.046 220 I CA -1.974 59.370 61.300 0.073 0.000 1.324 220 I CB -0.825 37.201 38.000 0.043 0.000 1.409 220 I HN -0.066 8.044 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 0.473 nan 4.340 nan 0.000 0.282 221 L C -2.584 174.321 176.870 0.059 0.000 1.051 221 L CA -1.324 53.560 54.840 0.073 0.000 0.804 221 L CB 2.526 44.634 42.059 0.081 0.000 1.197 221 L HN 0.643 8.806 8.230 0.085 0.118 0.431 222 L N 5.423 126.674 121.223 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 -1.022 53.842 54.840 0.039 0.000 0.818 222 L CB 2.284 44.357 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 2.002 124.845 122.820 0.038 0.000 2.359 223 A HA 0.435 nan 4.320 nan 0.000 0.303 223 A C -2.225 175.378 177.584 0.032 0.000 1.066 223 A CA -1.430 50.629 52.037 0.035 0.000 0.730 223 A CB 2.939 21.964 19.000 0.042 0.000 1.211 223 A HN 0.312 8.488 8.150 0.043 0.000 0.439 224 D N 2.929 123.345 120.400 0.026 0.000 0.000 224 D HA 0.257 nan 4.640 nan 0.000 0.000 224 D C 0.392 176.709 176.300 0.029 0.000 0.000 224 D CA 0.311 54.327 54.000 0.025 0.000 0.000 224 D CB 1.763 42.574 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 0.075 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 5.322 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 5.591 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 5.710 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 -0.864 120.352 121.223 -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 0.472 55.314 54.840 0.004 0.000 0.000 247 L CB 2.156 44.212 42.059 -0.004 0.000 0.000 247 L HN -0.009 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 -1.969 174.924 176.870 0.038 0.000 0.965 248 L CA -0.209 54.640 54.840 0.015 0.000 0.845 248 L CB 3.099 45.180 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 5.513 126.097 120.570 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 60.650 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 0.284 8.484 8.210 -0.017 0.000 0.438 250 I N 7.863 128.483 120.570 0.084 0.000 2.560 250 I HA 0.459 nan 4.170 nan 0.000 0.278 250 I C -2.631 173.537 176.117 0.085 0.000 1.089 250 I CA -1.281 60.085 61.300 0.110 0.000 1.086 250 I CB 1.093 39.174 38.000 0.136 0.000 1.202 250 I HN 0.219 8.474 8.210 0.075 0.000 0.471 251 A N 5.935 128.807 122.820 0.088 0.000 2.552 251 A HA 0.739 nan 4.320 nan 0.000 0.288 251 A C -1.947 175.680 177.584 0.072 0.000 1.193 251 A CA -1.760 50.319 52.037 0.069 0.000 0.713 251 A CB 3.347 22.385 19.000 0.064 0.000 1.305 251 A HN 0.043 8.255 8.150 0.104 0.000 0.424 252 E N -0.070 120.166 120.200 0.060 0.000 2.418 252 E HA -0.257 nan 4.350 nan 0.000 0.261 252 E C -0.669 175.969 176.600 0.063 0.000 1.070 252 E CA 0.083 56.519 56.400 0.060 0.000 0.931 252 E CB 0.913 30.644 29.700 0.050 0.000 0.954 252 E HN -0.104 8.288 8.360 0.052 0.000 0.439 253 D N 2.168 122.605 120.400 0.062 0.000 6.521 253 D HA -0.320 nan 4.640 nan 0.000 0.249 253 D C -0.677 175.655 176.300 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 3.150 123.106 119.914 0.070 0.000 0.000 254 V HA -0.135 nan 4.120 nan 0.000 0.000 254 V C 0.933 177.057 176.094 0.050 0.000 0.000 254 V CA 0.974 63.314 62.300 0.068 0.000 0.000 254 V CB 0.446 32.326 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 -1.006 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 5.460 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 -0.038 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 5.387 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 0.045 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 -1.675 nan 177.584 nan 0.000 0.000 275 A CA -0.219 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 -4.962 115.005 119.914 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 1.817 33.703 31.823 0.104 0.000 0.000 276 V HN 0.715 8.947 8.190 0.070 0.000 0.000 277 K N 0.583 121.099 120.400 0.192 0.000 2.238 277 K HA 0.470 nan 4.320 nan 0.000 0.239 277 K C -0.961 175.746 176.600 0.178 0.000 0.987 277 K CA -1.378 55.008 56.287 0.165 0.000 0.857 277 K CB 3.122 35.708 32.500 0.144 0.000 1.154 277 K HN 0.196 8.573 8.250 0.212 0.000 0.439 278 A N 2.187 125.067 122.820 0.100 0.000 2.425 278 A HA 0.204 nan 4.320 nan 0.000 0.242 278 A C -2.255 175.324 177.584 -0.007 0.000 1.077 278 A CA -1.700 50.346 52.037 0.016 0.000 0.781 278 A CB -0.665 18.335 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 -0.350 176.913 177.300 -0.061 0.000 1.261 279 P CA 0.053 63.078 63.100 -0.126 0.000 0.821 279 P CB 1.106 32.580 31.700 -0.376 0.000 1.013 280 G N 2.474 111.283 108.800 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 -2.186 172.795 174.900 0.136 0.000 1.289 280 G CA 0.248 45.359 45.100 0.017 0.000 0.920 280 G HN 0.153 8.475 8.290 0.053 0.000 0.571 281 F N -4.381 115.566 119.950 -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 1.406 40.413 39.000 0.012 0.000 1.364 281 F HN -0.307 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 0.235 175.156 174.900 0.034 0.000 1.225 282 G CA 1.040 46.249 45.100 0.183 0.000 0.966 282 G HN 0.190 8.725 8.290 0.408 0.000 0.560 283 D N 2.138 122.534 120.400 -0.006 0.000 2.265 283 D HA -0.222 nan 4.640 nan 0.000 0.208 283 D C 2.026 178.289 176.300 -0.063 0.000 0.977 283 D CA 3.140 57.125 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 -0.406 120.022 120.500 -0.121 0.000 2.092 284 R HA -0.324 nan 4.340 nan 0.000 0.226 284 R C 1.549 177.781 176.300 -0.113 0.000 1.140 284 R CA 4.194 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 -1.835 118.611 120.500 -0.089 0.000 2.154 285 R HA -0.339 nan 4.340 nan 0.000 0.248 285 R C 2.399 178.668 176.300 -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 0.310 8.481 8.270 -0.094 0.043 0.452 286 K N -0.774 119.607 120.400 -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 2.877 59.150 56.287 -0.024 0.000 0.932 286 K CB -0.371 32.123 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 -0.937 121.854 122.820 -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 54.879 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 -0.211 7.908 8.150 -0.051 0.000 0.444 288 M N -3.141 116.402 119.600 -0.096 0.000 2.260 288 M HA -0.397 nan 4.480 nan 0.000 0.261 288 M C 2.072 178.300 176.300 -0.120 0.000 1.066 288 M CA 3.863 59.085 55.300 -0.130 0.000 1.082 288 M CB -0.324 32.157 32.600 -0.197 0.000 1.388 288 M HN -0.246 7.984 8.290 -0.100 0.000 0.419 289 L N -2.664 118.505 121.223 -0.089 0.000 2.109 289 L HA -0.315 nan 4.340 nan 0.000 0.207 289 L C 2.122 178.969 176.870 -0.039 0.000 1.086 289 L CA 2.699 57.503 54.840 -0.060 0.000 0.760 289 L CB -0.534 41.504 42.059 -0.035 0.000 0.910 289 L HN -0.546 7.493 8.230 -0.080 0.143 0.437 290 Q N -0.839 118.939 119.800 -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 2.778 58.565 55.803 -0.027 0.000 0.901 290 Q CB -0.270 28.454 28.738 -0.023 0.000 0.981 290 Q HN -0.148 7.992 8.270 -0.043 0.104 0.483 291 D N 1.795 122.170 120.400 -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 -0.203 40.564 40.800 -0.055 0.000 1.013 291 D HN 0.031 8.216 8.370 -0.053 0.154 0.455 292 I N 0.208 120.756 120.570 -0.037 0.000 2.229 292 I HA -0.593 nan 4.170 nan 0.000 0.250 292 I C 1.626 177.740 176.117 -0.004 0.000 1.096 292 I CA 3.729 65.025 61.300 -0.008 0.000 1.358 292 I CB -0.429 37.569 38.000 -0.004 0.000 1.047 292 I HN 0.147 8.215 8.210 -0.062 0.104 0.422 293 A N -1.346 121.466 122.820 -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 -1.022 17.969 19.000 -0.015 0.000 0.835 293 A HN -0.029 7.931 8.150 -0.021 0.178 0.445 294 T N -2.101 112.441 114.554 -0.021 0.000 2.822 294 T HA -0.357 nan 4.350 nan 0.000 0.270 294 T C 1.506 176.193 174.700 -0.022 0.000 1.064 294 T CA 2.948 65.035 62.100 -0.022 0.000 1.131 294 T CB -0.583 68.273 68.868 -0.020 0.000 0.858 294 T HN -0.270 7.788 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 -0.120 nan 4.340 nan 0.000 0.208 295 L C 1.249 178.106 176.870 -0.020 0.000 1.073 295 L CA 2.203 57.035 54.840 -0.012 0.000 0.746 295 L CB -0.280 41.780 42.059 0.003 0.000 0.891 295 L HN -0.023 8.066 8.230 -0.015 0.131 0.433 296 T N -2.777 111.764 114.554 -0.022 0.000 3.160 296 T HA -0.047 nan 4.350 nan 0.000 0.257 296 T C 0.903 175.558 174.700 -0.075 0.000 1.147 296 T CA 2.155 64.229 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 0.318 8.443 8.240 -0.013 0.106 0.526 297 G N -1.454 107.310 108.800 -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 0.047 174.913 174.900 -0.057 0.000 1.005 297 G CA -0.022 45.035 45.100 -0.072 0.000 0.634 297 G HN -0.013 8.075 8.290 -0.043 0.176 0.496 298 G N 0.780 109.550 108.800 -0.049 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 0.727 175.611 174.900 -0.027 0.000 1.191 298 G CA 1.453 46.535 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 -3.932 110.611 114.554 -0.019 0.000 12.380 299 T HA -0.403 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 1.705 63.798 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 0.248 8.476 8.240 -0.020 0.000 0.798 300 V N 3.865 123.780 119.914 0.001 0.000 2.924 300 V HA -0.053 nan 4.120 nan 0.000 0.305 300 V C -0.260 175.840 176.094 0.008 0.000 1.073 300 V CA 1.617 63.924 62.300 0.011 0.000 1.098 300 V CB 0.605 32.440 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 -4.038 116.540 120.570 0.013 0.000 3.331 301 I HA -0.033 nan 4.170 nan 0.000 0.380 301 I C -0.053 176.074 176.117 0.016 0.000 0.924 301 I CA -0.266 61.041 61.300 0.011 0.000 0.991 301 I CB -0.808 37.194 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 0.974 116.686 115.700 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 5.040 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 0.707 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 5.524 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 5.479 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 55.409 54.840 0.032 0.000 0.000 314 L CB 0.513 nan 42.059 nan 0.000 0.000 314 L HN 1.358 nan 8.230 nan 0.000 0.000 315 E N -1.646 118.586 120.200 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 1.203 57.654 56.400 0.085 0.000 0.000 315 E CB 0.387 30.137 29.700 0.084 0.000 0.000 315 E HN 0.945 9.333 8.360 0.047 0.000 0.000 316 D N 0.188 120.640 120.400 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 0.059 0.000 0.565 316 D CA 1.231 55.267 54.000 0.060 0.000 1.052 316 D CB -0.800 40.019 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 -2.843 118.402 121.223 0.037 0.000 5.621 317 L HA -0.449 nan 4.340 nan 0.000 0.281 317 L C -0.884 175.910 176.870 -0.127 0.000 1.106 317 L CA 0.625 55.467 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 0.169 8.421 8.230 0.037 0.000 0.852 318 G N -4.986 103.707 108.800 -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 -1.005 173.637 174.900 -0.429 0.000 1.253 318 G CA -0.555 44.407 45.100 -0.230 0.000 0.974 318 G HN -0.482 7.746 8.290 -0.102 0.000 0.483 319 Q N 0.428 120.006 119.800 -0.370 0.000 2.596 319 Q HA 0.010 nan 4.340 nan 0.000 0.190 319 Q C -0.384 175.552 176.000 -0.107 0.000 0.905 319 Q CA -0.427 55.146 55.803 -0.382 0.000 0.846 319 Q CB 1.577 30.104 28.738 -0.351 0.000 1.117 319 Q HN 0.655 8.777 8.270 -0.246 0.000 0.630 320 A N -1.774 121.002 122.820 -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 -0.174 18.821 19.000 -0.009 0.000 3.974 320 A HN -0.527 7.565 8.150 -0.097 0.000 0.548 321 K N 1.613 122.014 120.400 0.002 0.000 2.031 321 K HA -0.318 nan 4.320 nan 0.000 0.205 321 K C -1.385 175.222 176.600 0.012 0.000 1.049 321 K CA 1.936 58.229 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 8.399 8.250 -0.005 -0.131 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 -2.030 174.262 176.300 -0.015 0.000 1.021 322 R CA -0.895 55.204 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 -0.877 7.393 8.270 -0.001 0.000 0.464 323 V N -0.353 119.546 119.914 -0.026 0.000 2.962 323 V HA 0.480 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 -1.128 61.142 62.300 -0.050 0.000 0.971 323 V CB 3.717 35.508 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 1.412 121.275 119.914 -0.086 0.000 3.070 324 V HA 0.216 nan 4.120 nan 0.000 0.355 324 V C -0.290 175.730 176.094 -0.124 0.000 1.400 324 V CA -0.851 61.399 62.300 -0.083 0.000 1.170 324 V CB -0.109 31.677 31.823 -0.062 0.000 1.169 324 V HN 0.213 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 -0.289 0.000 1.229 325 I CA 1.519 62.696 61.300 -0.205 0.000 1.406 325 I CB -0.003 37.904 38.000 -0.155 0.000 1.310 325 I HN -0.291 7.837 8.210 -0.136 0.000 0.579 326 N N 1.410 119.836 118.700 -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 -0.763 0.000 1.375 326 N CA -0.552 52.010 53.050 -0.813 0.000 0.838 326 N CB 1.701 39.922 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 -0.931 118.993 120.400 -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 32.167 32.500 0.098 0.000 0.935 327 K HN 0.372 8.056 8.250 -0.944 0.000 0.475 328 D N -2.345 118.024 120.400 -0.052 0.000 2.074 328 D HA -0.242 nan 4.640 nan 0.000 0.214 328 D C -0.939 175.331 176.300 -0.051 0.000 1.279 328 D CA 2.005 55.985 54.000 -0.033 0.000 1.539 328 D CB -0.734 40.040 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 -3.819 110.663 114.554 -0.120 0.000 2.742 329 T HA 0.429 nan 4.350 nan 0.000 0.282 329 T C -2.121 172.418 174.700 -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 2.190 116.521 114.554 -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 62.234 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 5.168 119.566 114.554 -0.261 0.000 2.832 331 T HA 0.446 nan 4.350 nan 0.000 0.313 331 T C -0.103 174.537 174.700 -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 68.811 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 7.438 127.972 120.570 -0.060 0.000 2.389 332 I HA -0.062 nan 4.170 nan 0.000 0.295 332 I C 0.277 176.391 176.117 -0.005 0.000 1.117 332 I CA 0.394 61.687 61.300 -0.011 0.000 1.317 332 I CB -0.376 37.650 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 8.078 128.640 120.570 -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 2.540 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 -0.006 8.192 8.210 -0.020 0.000 0.427 334 D N -1.167 119.230 120.400 -0.005 0.000 2.365 334 D HA 0.095 nan 4.640 nan 0.000 0.235 334 D C -0.208 176.086 176.300 -0.011 0.000 1.368 334 D CA -0.827 53.169 54.000 -0.007 0.000 1.001 334 D CB 2.152 42.947 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 2.959 111.753 108.800 -0.010 0.000 2.684 335 G HA2 0.231 nan 3.960 nan 0.000 0.255 335 G HA3 0.231 nan 3.960 nan 0.000 0.255 335 G C -0.241 174.643 174.900 -0.027 0.000 1.219 335 G CA -0.107 44.983 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 -5.526 114.365 119.914 -0.038 0.000 3.392 336 V HA 0.246 nan 4.120 nan 0.000 0.294 336 V C 0.499 176.568 176.094 -0.042 0.000 1.561 336 V CA -0.496 61.777 62.300 -0.045 0.000 1.056 336 V CB 0.791 32.572 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 1.408 110.186 108.800 -0.037 0.000 2.365 337 G HA2 -0.102 nan 3.960 nan 0.000 0.249 337 G HA3 -0.102 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 -0.088 44.992 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 4.471 124.656 120.200 -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 0.470 56.859 56.400 -0.018 0.000 0.951 338 E CB -0.513 29.177 29.700 -0.016 0.000 0.955 338 E HN 0.047 8.392 8.360 -0.026 0.000 0.515 339 E N 7.512 127.703 120.200 -0.014 0.000 2.240 339 E HA -0.550 nan 4.350 nan 0.000 0.236 339 E C 1.479 178.072 176.600 -0.011 0.000 1.085 339 E CA 3.653 60.046 56.400 -0.012 0.000 0.979 339 E CB 0.082 29.776 29.700 -0.010 0.000 0.845 339 E HN 0.082 8.434 8.360 -0.014 0.000 0.483 340 A N -2.147 120.667 122.820 -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 2.812 54.843 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 -1.140 121.673 122.820 -0.012 0.000 1.865 341 A HA -0.297 nan 4.320 nan 0.000 0.217 341 A C 2.142 179.717 177.584 -0.014 0.000 1.191 341 A CA 2.886 54.915 52.037 -0.013 0.000 0.623 341 A CB -0.801 18.190 19.000 -0.015 0.000 0.826 341 A HN 0.179 8.226 8.150 -0.012 0.096 0.444 342 I N -2.504 118.058 120.570 -0.014 0.000 2.530 342 I HA -0.594 nan 4.170 nan 0.000 0.257 342 I C 2.063 178.172 176.117 -0.012 0.000 1.179 342 I CA 3.408 64.700 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 -0.510 7.633 8.210 -0.015 0.059 0.440 343 Q N -0.778 119.016 119.800 -0.011 0.000 2.016 343 Q HA -0.283 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 3.391 59.188 55.803 -0.010 0.000 0.833 343 Q CB -0.251 28.481 28.738 -0.009 0.000 0.895 343 Q HN 0.465 8.538 8.270 -0.011 0.190 0.427 344 G N -1.974 106.820 108.800 -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 1.562 176.455 174.900 -0.012 0.000 1.114 344 G CA 1.613 46.707 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 1.068 121.560 120.500 -0.014 0.000 2.055 345 R HA -0.172 nan 4.340 nan 0.000 0.228 345 R C 2.202 178.492 176.300 -0.017 0.000 1.143 345 R CA 1.583 57.674 56.100 -0.016 0.000 0.945 345 R CB -1.327 28.962 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 -0.025 119.880 119.914 -0.016 0.000 2.231 346 V HA -0.381 nan 4.120 nan 0.000 0.250 346 V C 2.008 178.093 176.094 -0.015 0.000 1.058 346 V CA 3.838 66.129 62.300 -0.016 0.000 1.022 346 V CB -0.994 30.820 31.823 -0.014 0.000 0.640 346 V HN -0.590 7.591 8.190 -0.015 0.000 0.445 347 A N -2.520 120.292 122.820 -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 3.473 55.503 52.037 -0.011 0.000 0.633 347 A CB -0.908 18.086 19.000 -0.009 0.000 0.819 347 A HN -0.018 8.125 8.150 -0.012 0.000 0.448 348 Q N -0.558 119.234 119.800 -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 58.846 55.803 -0.012 0.000 0.846 348 Q CB -0.380 28.351 28.738 -0.013 0.000 0.902 348 Q HN -0.575 7.598 8.270 -0.013 0.090 0.421 349 I N 0.068 120.628 120.570 -0.017 0.000 2.252 349 I HA -0.520 nan 4.170 nan 0.000 0.245 349 I C 1.890 177.997 176.117 -0.017 0.000 1.102 349 I CA 3.751 65.040 61.300 -0.020 0.000 1.385 349 I CB -0.399 37.586 38.000 -0.025 0.000 1.064 349 I HN -0.267 7.850 8.210 -0.017 0.082 0.414 350 R N -0.650 119.840 120.500 -0.016 0.000 2.094 350 R HA -0.489 nan 4.340 nan 0.000 0.239 350 R C 2.655 178.949 176.300 -0.010 0.000 1.137 350 R CA 4.238 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 0.201 8.280 8.270 -0.016 0.182 0.433 351 Q N -1.551 118.243 119.800 -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 0.030 8.135 8.270 -0.010 0.159 0.416 353 I N -1.148 119.418 120.570 -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 3.462 64.759 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 1.069 121.267 120.200 -0.002 0.000 2.130 354 E HA -0.278 nan 4.350 nan 0.000 0.196 354 E C 0.903 177.504 176.600 0.001 0.000 0.998 354 E CA 2.905 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 -4.005 116.196 120.200 0.000 0.000 2.444 355 E HA 0.065 nan 4.350 nan 0.000 0.191 355 E C -0.169 176.433 176.600 0.004 0.000 1.041 355 E CA -1.234 55.167 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 0.961 123.785 122.820 0.006 0.000 2.728 356 A HA 0.068 nan 4.320 nan 0.000 0.258 356 A C -0.443 177.152 177.584 0.017 0.000 1.454 356 A CA -0.433 51.611 52.037 0.012 0.000 1.146 356 A CB -1.769 17.238 19.000 0.012 0.000 0.985 356 A HN -0.024 7.881 8.150 0.004 0.247 0.603 357 T N -3.228 111.333 114.554 0.012 0.000 12.844 357 T HA -0.496 nan 4.350 nan 0.000 0.417 357 T C 0.430 175.139 174.700 0.014 0.000 1.443 357 T CA 2.397 64.504 62.100 0.012 0.000 2.363 357 T CB -1.135 67.740 68.868 0.011 0.000 2.817 357 T HN 0.055 8.183 8.240 0.009 0.117 0.709 358 S N 1.461 117.174 115.700 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 57.445 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 -0.439 7.887 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 0.469 176.857 176.300 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 3.608 123.903 120.300 -0.009 0.000 3.298 360 Y HA -0.654 nan 4.550 nan 0.000 0.479 360 Y C -0.359 175.530 175.900 -0.019 0.000 0.905 360 Y CA 1.997 60.089 58.100 -0.013 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 -1.661 118.993 120.400 0.424 0.000 2.411 361 D HA -0.350 nan 4.640 nan 0.000 0.226 361 D C 1.883 178.183 176.300 0.001 0.000 0.988 361 D CA 2.430 56.531 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 8.993 8.370 0.382 0.071 0.525 362 R N -0.352 120.149 120.500 0.002 0.000 2.173 362 R HA -0.114 nan 4.340 nan 0.000 0.208 362 R C 1.434 177.689 176.300 -0.074 0.000 1.035 362 R CA 1.689 57.773 56.100 -0.026 0.000 1.004 362 R CB -0.196 30.102 30.300 -0.003 0.000 0.917 362 R HN -0.067 8.153 8.270 0.052 0.082 0.462 363 E N -0.397 119.727 120.200 -0.127 0.000 2.012 363 E HA -0.328 nan 4.350 nan 0.000 0.197 363 E C 2.123 178.607 176.600 -0.192 0.000 1.007 363 E CA 3.085 59.379 56.400 -0.178 0.000 0.816 363 E CB -0.679 28.852 29.700 -0.281 0.000 0.762 363 E HN 0.264 8.416 8.360 -0.112 0.141 0.451 364 K N -1.949 118.290 120.400 -0.268 0.000 2.147 364 K HA -0.240 nan 4.320 nan 0.000 0.205 364 K C 2.414 178.939 176.600 -0.125 0.000 1.049 364 K CA 2.776 58.941 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 7.436 8.250 -0.398 0.000 0.446 365 L N -3.337 117.825 121.223 -0.102 0.000 2.610 365 L HA -0.190 nan 4.340 nan 0.000 0.232 365 L C 0.219 177.056 176.870 -0.055 0.000 1.149 365 L CA 1.188 55.989 54.840 -0.065 0.000 0.872 365 L CB -0.575 41.458 42.059 -0.044 0.000 0.992 365 L HN -0.528 7.516 8.230 -0.113 0.118 0.447 366 Q N -3.290 116.472 119.800 -0.063 0.000 2.423 366 Q HA -0.026 nan 4.340 nan 0.000 0.231 366 Q C 1.738 177.709 176.000 -0.050 0.000 0.894 366 Q CA 1.413 57.188 55.803 -0.048 0.000 0.938 366 Q CB 1.322 30.034 28.738 -0.044 0.000 1.079 366 Q HN -0.054 7.965 8.270 -0.083 0.201 0.552 367 E N 1.217 121.377 120.200 -0.067 0.000 2.158 367 E HA -0.233 nan 4.350 nan 0.000 0.191 367 E C 1.937 178.504 176.600 -0.055 0.000 0.982 367 E CA 2.499 58.862 56.400 -0.061 0.000 0.823 367 E CB 0.167 29.817 29.700 -0.083 0.000 0.766 367 E HN 0.361 8.481 8.360 -0.086 0.189 0.468 368 R N -1.713 118.748 120.500 -0.065 0.000 2.297 368 R HA -0.006 nan 4.340 nan 0.000 0.197 368 R C 1.681 177.954 176.300 -0.045 0.000 0.943 368 R CA 1.652 57.715 56.100 -0.061 0.000 1.038 368 R CB 0.526 30.780 30.300 -0.077 0.000 0.957 368 R HN -0.015 8.106 8.270 -0.074 0.105 0.484 369 V N -6.358 113.534 119.914 -0.038 0.000 2.992 369 V HA 0.251 nan 4.120 nan 0.000 0.250 369 V C 0.873 176.955 176.094 -0.020 0.000 1.090 369 V CA 1.343 63.627 62.300 -0.028 0.000 1.101 369 V CB -0.383 31.424 31.823 -0.026 0.000 0.743 369 V HN -0.756 7.363 8.190 -0.041 0.047 0.468 370 A N 0.379 123.187 122.820 -0.020 0.000 2.019 370 A HA -0.250 nan 4.320 nan 0.000 0.219 370 A C 0.889 178.470 177.584 -0.004 0.000 1.164 370 A CA 3.166 55.196 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 -4.028 116.370 120.400 -0.004 0.000 2.098 371 K HA -0.129 nan 4.320 nan 0.000 0.203 371 K C 2.187 178.792 176.600 0.009 0.000 1.051 371 K CA 2.346 58.639 56.287 0.011 0.000 0.957 371 K CB -0.074 32.435 32.500 0.015 0.000 0.738 371 K HN -0.306 7.894 8.250 -0.013 0.043 0.447 372 L N -0.620 120.601 121.223 -0.003 0.000 2.007 372 L HA -0.136 nan 4.340 nan 0.000 0.205 372 L C 1.421 178.289 176.870 -0.004 0.000 1.073 372 L CA 2.228 57.066 54.840 -0.004 0.000 0.744 372 L CB 0.451 42.503 42.059 -0.012 0.000 0.898 372 L HN -0.593 7.631 8.230 -0.010 0.000 0.435 373 A N -2.548 120.268 122.820 -0.007 0.000 3.091 373 A HA -0.017 nan 4.320 nan 0.000 0.264 373 A C -0.731 176.850 177.584 -0.004 0.000 1.673 373 A CA 0.354 52.387 52.037 -0.007 0.000 1.362 373 A CB -1.931 17.064 19.000 -0.009 0.000 1.137 373 A HN 0.168 8.218 8.150 -0.010 0.094 0.617 374 G N -0.812 107.987 108.800 -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 -0.612 174.290 174.900 0.002 0.000 1.420 374 G CA 0.193 45.294 45.100 0.000 0.000 0.942 374 G HN -0.450 7.781 8.290 -0.001 0.058 0.606 375 G N 1.522 110.325 108.800 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 -1.469 173.435 174.900 0.006 0.000 1.431 375 G CA 0.002 45.104 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 -1.493 118.423 119.914 0.004 0.000 3.134 376 V HA 0.405 nan 4.120 nan 0.000 0.313 376 V C -0.593 175.500 176.094 -0.001 0.000 1.069 376 V CA -1.047 61.254 62.300 0.002 0.000 1.048 376 V CB 1.402 33.225 31.823 -0.000 0.000 1.119 376 V HN 0.186 8.377 8.190 0.003 0.000 0.461 377 A N 2.372 125.190 122.820 -0.003 0.000 2.646 377 A HA 0.439 nan 4.320 nan 0.000 0.312 377 A C -1.893 175.685 177.584 -0.009 0.000 1.245 377 A CA -1.008 51.025 52.037 -0.006 0.000 0.755 377 A CB 1.199 20.196 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 5.308 125.216 119.914 -0.009 0.000 2.488 378 V HA 0.294 nan 4.120 nan 0.000 0.277 378 V C -1.055 175.031 176.094 -0.013 0.000 1.046 378 V CA 0.242 62.536 62.300 -0.011 0.000 0.986 378 V CB 0.713 32.530 31.823 -0.009 0.000 0.989 378 V HN 0.332 8.517 8.190 -0.008 0.000 0.475 379 I N 9.150 129.710 120.570 -0.017 0.000 2.336 379 I HA 0.262 nan 4.170 nan 0.000 0.292 379 I C -1.372 174.735 176.117 -0.018 0.000 0.991 379 I CA -0.779 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 0.589 8.681 8.210 -0.019 0.106 0.466 380 K N 7.509 127.900 120.400 -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 -1.672 54.608 56.287 -0.013 0.000 1.004 380 K CB -0.858 31.637 32.500 -0.010 0.000 1.376 380 K HN 0.788 8.926 8.250 -0.014 0.103 0.460 381 V N 0.957 120.862 119.914 -0.015 0.000 3.209 381 V HA 0.003 nan 4.120 nan 0.000 0.305 381 V C -0.702 175.385 176.094 -0.011 0.000 1.127 381 V CA -0.149 62.142 62.300 -0.015 0.000 1.235 381 V CB 0.019 31.832 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 -1.268 107.526 108.800 -0.011 0.000 2.690 382 G HA2 0.389 nan 3.960 nan 0.000 0.293 382 G HA3 0.389 nan 3.960 nan 0.000 0.293 382 G C -2.671 172.224 174.900 -0.008 0.000 1.399 382 G CA -0.657 44.438 45.100 -0.008 0.000 0.890 382 G HN -0.434 7.936 8.290 -0.012 -0.087 0.485 383 A N -0.781 122.035 122.820 -0.006 0.000 4.989 383 A HA 0.212 nan 4.320 nan 0.000 0.238 383 A C -2.018 175.563 177.584 -0.005 0.000 0.962 383 A CA 0.502 52.536 52.037 -0.005 0.000 0.608 383 A CB 0.386 19.383 19.000 -0.005 0.000 1.893 383 A HN -0.444 7.703 8.150 -0.006 0.000 0.923 384 A N -1.588 121.229 122.820 -0.004 0.000 2.016 384 A HA 0.113 nan 4.320 nan 0.000 0.202 384 A C 0.003 177.585 177.584 -0.003 0.000 1.632 384 A CA 0.899 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 0.208 114.760 114.554 -0.003 0.000 2.909 385 T HA 0.140 nan 4.350 nan 0.000 0.289 385 T C 0.813 175.512 174.700 -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 3.196 123.395 120.200 -0.003 0.000 2.110 386 E HA -0.355 nan 4.350 nan 0.000 0.193 386 E C 1.634 178.232 176.600 -0.002 0.000 0.988 386 E CA 3.129 59.527 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 8.170 8.190 -0.002 0.001 0.447 388 E N -1.277 118.922 120.200 -0.002 0.000 2.171 388 E HA -0.336 nan 4.350 nan 0.000 0.197 388 E C 2.357 178.955 176.600 -0.004 0.000 0.997 388 E CA 2.931 59.329 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 -0.474 119.124 119.600 -0.004 0.000 2.229 389 M HA -0.234 nan 4.480 nan 0.000 0.264 389 M C 1.820 178.118 176.300 -0.005 0.000 1.063 389 M CA 2.725 58.022 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 0.267 8.306 8.290 -0.003 0.248 0.420 390 K N -0.282 120.116 120.400 -0.003 0.000 2.116 390 K HA -0.248 nan 4.320 nan 0.000 0.203 390 K C 2.215 178.814 176.600 -0.002 0.000 1.052 390 K CA 2.607 58.893 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 0.298 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 -0.315 nan 4.350 nan 0.000 0.192 391 E C 2.337 178.934 176.600 -0.004 0.000 0.984 391 E CA 3.326 59.725 56.400 -0.002 0.000 0.806 391 E CB -0.420 29.279 29.700 -0.001 0.000 0.750 391 E HN -0.517 7.842 8.360 -0.002 0.000 0.458 392 K N -0.226 120.170 120.400 -0.007 0.000 2.026 392 K HA -0.348 nan 4.320 nan 0.000 0.208 392 K C 1.740 178.331 176.600 -0.015 0.000 1.048 392 K CA 3.305 59.585 56.287 -0.011 0.000 0.929 392 K CB -0.080 32.413 32.500 -0.011 0.000 0.713 392 K HN -0.688 7.544 8.250 -0.006 0.015 0.439 393 K N -1.091 119.302 120.400 -0.013 0.000 2.044 393 K HA -0.354 nan 4.320 nan 0.000 0.210 393 K C 2.036 178.627 176.600 -0.016 0.000 1.049 393 K CA 3.122 59.400 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 -1.928 120.888 122.820 -0.007 0.000 1.865 394 A HA -0.335 nan 4.320 nan 0.000 0.217 394 A C 2.389 179.969 177.584 -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 18.186 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 -2.130 118.364 120.500 -0.010 0.000 2.083 395 R HA -0.408 nan 4.340 nan 0.000 0.237 395 R C 2.374 178.655 176.300 -0.032 0.000 1.137 395 R CA 3.368 59.460 56.100 -0.014 0.000 0.951 395 R CB -0.274 30.019 30.300 -0.012 0.000 0.851 395 R HN -0.055 8.034 8.270 -0.008 0.176 0.434 396 V N 0.025 119.914 119.914 -0.043 0.000 2.223 396 V HA -0.460 nan 4.120 nan 0.000 0.244 396 V C 1.680 177.699 176.094 -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 30.865 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 -1.194 118.930 120.200 -0.127 0.000 2.197 397 E HA -0.556 nan 4.350 nan 0.000 0.205 397 E C 2.128 178.507 176.600 -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 -0.069 8.243 8.360 -0.079 0.000 0.464 398 D N -1.274 119.054 120.400 -0.120 0.000 2.075 398 D HA -0.230 nan 4.640 nan 0.000 0.196 398 D C 2.037 178.302 176.300 -0.059 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 -0.069 0.015 0.452 399 A N -0.197 122.582 122.820 -0.068 0.000 1.978 399 A HA -0.235 nan 4.320 nan 0.000 0.220 399 A C 2.155 179.692 177.584 -0.078 0.000 1.170 399 A CA 2.817 54.824 52.037 -0.050 0.000 0.636 399 A CB -0.639 18.337 19.000 -0.040 0.000 0.810 399 A HN -0.114 7.999 8.150 -0.062 0.000 0.448 400 L N -2.578 118.541 121.223 -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 3.441 58.179 54.840 -0.169 0.000 0.755 400 L CB -0.152 41.759 42.059 -0.247 0.000 0.904 400 L HN 0.421 8.486 8.230 -0.226 0.028 0.435 401 H N -1.129 117.939 119.070 -0.003 0.000 2.293 401 H HA -0.383 nan 4.556 nan 0.000 0.300 401 H C 1.964 177.293 175.328 0.002 0.000 1.082 401 H CA 3.383 59.430 56.048 -0.002 0.000 1.308 401 H CB -0.327 29.433 29.762 -0.004 0.000 1.375 401 H HN -0.347 7.573 8.280 -0.416 0.111 0.495 402 A N -2.231 120.652 122.820 0.105 0.000 1.917 402 A HA -0.421 nan 4.320 nan 0.000 0.219 402 A C 2.010 179.618 177.584 0.041 0.000 1.182 402 A CA 3.351 55.425 52.037 0.061 0.000 0.633 402 A CB -0.924 18.099 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 1.187 115.755 114.554 0.025 0.000 2.821 403 T HA -0.273 nan 4.350 nan 0.000 0.267 403 T C 2.100 176.814 174.700 0.023 0.000 1.046 403 T CA 4.569 66.678 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 -0.246 8.002 8.240 0.013 0.000 0.454 404 R N 1.569 122.089 120.500 0.035 0.000 2.148 404 R HA -0.256 nan 4.340 nan 0.000 0.227 404 R C 1.607 177.930 176.300 0.039 0.000 1.103 404 R CA 2.184 58.307 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 -1.167 121.680 122.820 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 -0.447 7.613 8.150 0.053 0.122 0.447 406 A N -1.376 121.461 122.820 0.028 0.000 1.927 406 A HA -0.367 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 3.096 55.146 52.037 0.022 0.000 0.639 406 A CB -0.690 18.322 19.000 0.020 0.000 0.820 406 A HN -0.091 8.078 8.150 0.031 0.000 0.451 407 V N -2.446 117.479 119.914 0.019 0.000 2.380 407 V HA -0.485 nan 4.120 nan 0.000 0.251 407 V C 1.965 178.068 176.094 0.015 0.000 1.063 407 V CA 3.803 66.112 62.300 0.015 0.000 1.055 407 V CB -0.937 30.894 31.823 0.014 0.000 0.657 407 V HN 0.193 8.277 8.190 0.021 0.118 0.455 408 E N -1.304 118.906 120.200 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 2.143 58.553 56.400 0.017 0.000 0.832 408 E CB 0.148 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 -1.717 118.493 120.200 0.017 0.000 2.465 409 E HA 0.052 nan 4.350 nan 0.000 0.191 409 E C -0.398 176.211 176.600 0.015 0.000 1.053 409 E CA -0.454 55.955 56.400 0.015 0.000 0.869 409 E CB 0.952 30.660 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 -1.442 107.367 108.800 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 -2.660 172.250 174.900 0.017 0.000 1.321 410 G CA -0.317 44.793 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 0.727 120.651 119.914 0.017 0.000 2.488 411 V HA 0.648 nan 4.120 nan 0.000 0.293 411 V C -0.749 175.357 176.094 0.020 0.000 1.027 411 V CA -1.762 60.549 62.300 0.018 0.000 0.862 411 V CB 1.636 33.469 31.823 0.018 0.000 1.008 411 V HN -0.419 7.780 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 0.707 nan 4.120 nan 0.000 0.311 412 V C -0.982 175.126 176.094 0.023 0.000 1.066 412 V CA -3.570 58.743 62.300 0.021 0.000 1.039 412 V CB 1.885 33.720 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 0.855 123.690 122.820 0.026 0.000 2.545 413 A HA -0.026 nan 4.320 nan 0.000 0.253 413 A C 0.121 177.718 177.584 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 18.686 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 -1.127 43.984 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 -1.119 107.692 108.800 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 0.403 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 -2.910 105.899 108.800 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 0.434 175.336 174.900 0.004 0.000 0.989 416 G CA 0.180 45.286 45.100 0.009 0.000 0.682 416 G HN 0.001 8.230 8.290 0.016 0.071 0.522 417 V N 0.708 120.626 119.914 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 -0.556 31.265 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 0.444 123.272 122.820 0.013 0.000 1.859 418 A HA -0.413 nan 4.320 nan 0.000 0.217 418 A C 1.851 179.442 177.584 0.012 0.000 1.198 418 A CA 3.414 55.461 52.037 0.015 0.000 0.629 418 A CB -1.187 17.823 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 -2.668 118.561 121.223 0.009 0.000 2.043 419 L HA -0.349 nan 4.340 nan 0.000 0.212 419 L C 2.195 179.068 176.870 0.005 0.000 1.075 419 L CA 2.820 57.664 54.840 0.007 0.000 0.752 419 L CB -0.173 41.890 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 -4.805 115.767 120.570 0.002 0.000 3.564 420 I HA -0.267 nan 4.170 nan 0.000 0.294 420 I C -0.118 176.001 176.117 0.004 0.000 1.289 420 I CA 0.374 61.675 61.300 -0.000 0.000 1.325 420 I CB -0.137 37.858 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 -0.603 119.903 120.500 0.009 0.000 2.128 421 R HA -0.029 nan 4.340 nan 0.000 0.211 421 R C 1.201 177.513 176.300 0.019 0.000 1.067 421 R CA 2.268 58.379 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 -6.432 113.490 119.914 0.015 0.000 2.599 422 V HA 0.269 nan 4.120 nan 0.000 0.245 422 V C 1.238 177.337 176.094 0.010 0.000 1.046 422 V CA 2.176 64.484 62.300 0.013 0.000 1.065 422 V CB 0.110 31.939 31.823 0.010 0.000 0.703 422 V HN -0.051 8.146 8.190 0.013 0.000 0.464 423 A N 0.530 123.355 122.820 0.008 0.000 2.264 423 A HA -0.125 nan 4.320 nan 0.000 0.207 423 A C 0.533 178.121 177.584 0.007 0.000 1.196 423 A CA 2.314 54.354 52.037 0.006 0.000 0.778 423 A CB -0.917 18.085 19.000 0.004 0.000 0.779 423 A HN -0.180 7.974 8.150 0.007 0.000 0.483 424 S N -4.463 111.242 115.700 0.010 0.000 2.506 424 S HA -0.021 nan 4.470 nan 0.000 0.219 424 S C 1.652 176.259 174.600 0.012 0.000 1.031 424 S CA 0.800 59.007 58.200 0.011 0.000 0.911 424 S CB 0.965 64.174 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 3.267 123.674 120.400 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 2.206 58.500 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 7.943 8.250 0.013 0.124 0.466 426 L N -2.326 118.901 121.223 0.007 0.000 2.728 426 L HA 0.175 nan 4.340 nan 0.000 0.235 426 L C 0.192 177.065 176.870 0.005 0.000 1.197 426 L CA -1.212 53.632 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 0.443 123.266 122.820 0.006 0.000 2.024 427 A HA -0.269 nan 4.320 nan 0.000 0.220 427 A C 0.300 177.886 177.584 0.004 0.000 1.164 427 A CA 2.564 54.604 52.037 0.005 0.000 0.643 427 A CB 0.055 19.058 19.000 0.006 0.000 0.806 427 A HN -0.615 7.442 8.150 0.007 0.098 0.451 428 D N -3.149 117.253 120.400 0.004 0.000 3.068 428 D HA 0.189 nan 4.640 nan 0.000 0.327 428 D C -1.600 174.702 176.300 0.003 0.000 1.361 428 D CA -0.295 53.707 54.000 0.003 0.000 0.877 428 D CB 0.263 41.065 40.800 0.004 0.000 1.088 428 D HN 0.053 8.405 8.370 0.005 0.021 0.489 429 L N -0.096 121.128 121.223 0.003 0.000 2.296 429 L HA 0.339 nan 4.340 nan 0.000 0.286 429 L C -1.139 175.733 176.870 0.002 0.000 1.023 429 L CA -0.249 54.592 54.840 0.002 0.000 0.812 429 L CB 1.602 43.662 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 4.118 124.619 120.500 0.002 0.000 2.939 430 R HA 0.582 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 -2.190 53.911 56.100 0.002 0.000 1.020 430 R CB 3.371 33.672 30.300 0.002 0.000 1.206 430 R HN 0.266 8.537 8.270 0.002 0.000 0.491 431 G N -2.512 106.289 108.800 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 -0.445 174.456 174.900 0.002 0.000 1.343 431 G CA -0.019 45.082 45.100 0.001 0.000 0.895 431 G HN -0.190 8.101 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 -0.394 nan 4.340 nan 0.000 0.211 432 Q C -0.415 175.586 176.000 0.002 0.000 0.993 432 Q CA 2.261 58.065 55.803 0.002 0.000 0.883 432 Q CB 0.351 29.090 28.738 0.002 0.000 0.916 432 Q HN 0.147 8.569 8.270 0.002 -0.151 0.418 433 N N -8.241 110.460 118.700 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 -0.882 52.169 53.050 0.002 0.000 0.850 433 N CB 1.239 39.727 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 -1.107 119.094 120.200 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 -0.741 119.661 120.400 0.002 0.000 2.191 435 D HA -0.345 nan 4.640 nan 0.000 0.195 435 D C 2.805 179.107 176.300 0.003 0.000 1.003 435 D CA 3.048 57.049 54.000 0.003 0.000 0.867 435 D CB -0.581 40.221 40.800 0.003 0.000 0.926 435 D HN -0.244 8.158 8.370 0.002 -0.031 0.450 436 Q N -2.611 117.191 119.800 0.003 0.000 2.224 436 Q HA -0.284 nan 4.340 nan 0.000 0.203 436 Q C 2.451 178.452 176.000 0.002 0.000 0.970 436 Q CA 2.677 58.481 55.803 0.003 0.000 0.865 436 Q CB -0.059 28.680 28.738 0.002 0.000 0.922 436 Q HN -0.306 8.233 8.270 0.003 -0.267 0.445 437 N N 1.065 119.766 118.700 0.002 0.000 2.207 437 N HA -0.172 nan 4.740 nan 0.000 0.182 437 N C 1.807 177.318 175.510 0.002 0.000 1.020 437 N CA 3.039 56.090 53.050 0.002 0.000 0.858 437 N CB 0.100 38.589 38.487 0.002 0.000 0.991 437 N HN 0.095 8.328 8.380 0.002 0.148 0.427 438 V N -0.735 119.180 119.914 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 -0.870 30.954 31.823 0.002 0.000 0.772 438 V HN 0.092 8.284 8.190 0.002 0.000 0.498 439 G N -0.567 108.235 108.800 0.003 0.000 2.441 439 G HA2 -0.068 nan 3.960 nan 0.000 0.212 439 G HA3 -0.068 nan 3.960 nan 0.000 0.212 439 G C 0.650 175.552 174.900 0.003 0.000 1.164 439 G CA 1.354 46.456 45.100 0.004 0.000 0.811 439 G HN -0.516 7.672 8.290 0.003 0.103 0.535 440 I N 2.444 123.015 120.570 0.002 0.000 2.163 440 I HA -0.581 nan 4.170 nan 0.000 0.243 440 I C 1.279 177.397 176.117 0.002 0.000 1.085 440 I CA 3.708 65.009 61.300 0.002 0.000 1.347 440 I CB -0.041 37.960 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 2.080 178.682 176.600 0.002 0.000 1.047 441 K CA 3.406 59.694 56.287 0.002 0.000 0.942 441 K CB -0.044 32.458 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 -0.138 119.777 119.914 0.003 0.000 2.255 442 V HA -0.331 nan 4.120 nan 0.000 0.243 442 V C 1.713 177.809 176.094 0.003 0.000 1.038 442 V CA 3.474 65.776 62.300 0.003 0.000 1.008 442 V CB -0.561 31.265 31.823 0.004 0.000 0.645 442 V HN -0.439 7.583 8.190 0.003 0.170 0.449 443 A N -1.762 121.060 122.820 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 55.103 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 -0.495 7.657 8.150 0.003 0.000 0.451 444 L N -3.344 117.880 121.223 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 2.603 57.444 54.840 0.002 0.000 0.745 444 L CB -0.421 41.639 42.059 0.002 0.000 0.900 444 L HN -0.529 7.675 8.230 0.002 0.027 0.435 445 R N -2.978 117.523 120.500 0.001 0.000 2.237 445 R HA -0.224 nan 4.340 nan 0.000 0.219 445 R C 1.727 178.027 176.300 0.000 0.000 1.080 445 R CA 2.538 58.638 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 7.692 8.270 0.002 0.000 0.462 446 A N -0.183 122.638 122.820 0.002 0.000 1.872 446 A HA -0.073 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 2.234 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 -0.080 7.989 8.150 0.002 0.082 0.442 447 M N -3.880 115.722 119.600 0.003 0.000 2.539 447 M HA -0.296 nan 4.480 nan 0.000 0.261 447 M C 0.751 177.052 176.300 0.001 0.000 1.069 447 M CA 2.834 58.136 55.300 0.003 0.000 1.081 447 M CB 0.038 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 -3.213 116.986 120.200 -0.002 0.000 2.489 448 E HA -0.048 nan 4.350 nan 0.000 0.193 448 E C 0.477 177.072 176.600 -0.009 0.000 1.057 448 E CA 0.450 56.846 56.400 -0.007 0.000 0.866 448 E CB -0.203 29.491 29.700 -0.009 0.000 0.916 448 E HN -0.577 7.621 8.360 -0.001 0.162 0.500 449 A N 0.525 123.342 122.820 -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 16.629 19.000 0.002 0.000 0.827 449 A HN -0.107 7.859 8.150 -0.001 0.183 0.443 450 P HA -0.259 nan 4.420 nan 0.000 0.213 450 P C 1.149 178.445 177.300 -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 -0.750 120.466 121.223 -0.012 0.000 1.956 451 L HA -0.399 nan 4.340 nan 0.000 0.216 451 L C 2.004 178.849 176.870 -0.042 0.000 1.073 451 L CA 3.418 58.243 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 -0.232 7.993 8.230 -0.009 0.000 0.433 452 R N -3.221 117.253 120.500 -0.043 0.000 2.174 452 R HA -0.505 nan 4.340 nan 0.000 0.253 452 R C 2.576 178.853 176.300 -0.039 0.000 1.165 452 R CA 3.301 59.371 56.100 -0.048 0.000 0.984 452 R CB -0.538 29.742 30.300 -0.034 0.000 0.873 452 R HN -0.521 7.728 8.270 -0.035 0.000 0.456 453 Q N -0.778 119.007 119.800 -0.025 0.000 1.984 453 Q HA -0.178 nan 4.340 nan 0.000 0.196 453 Q C 1.891 177.881 176.000 -0.017 0.000 0.975 453 Q CA 2.314 58.107 55.803 -0.016 0.000 0.827 453 Q CB -0.631 28.103 28.738 -0.007 0.000 0.894 453 Q HN -0.620 7.500 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 -0.655 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 4.332 65.631 61.300 -0.001 0.000 1.300 454 I CB -0.072 37.932 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 -1.421 118.468 119.914 -0.042 0.000 2.490 455 V HA -0.347 nan 4.120 nan 0.000 0.250 455 V C 2.155 178.217 176.094 -0.054 0.000 1.061 455 V CA 3.868 66.118 62.300 -0.084 0.000 1.064 455 V CB -0.892 30.796 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 -0.296 120.902 121.223 -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 -0.380 41.666 42.059 -0.023 0.000 0.896 456 L HN 0.169 8.253 8.230 -0.044 0.120 0.432 457 N N -1.692 117.006 118.700 -0.005 0.000 2.223 457 N HA -0.229 nan 4.740 nan 0.000 0.185 457 N C 2.330 177.845 175.510 0.009 0.000 1.016 457 N CA 3.335 56.387 53.050 0.003 0.000 0.863 457 N CB -0.046 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 -3.225 116.084 119.300 0.015 0.000 2.440 458 C HA -0.166 nan 4.460 nan 0.000 0.278 458 C C 1.361 176.363 174.990 0.021 0.000 1.295 458 C CA 2.698 61.734 59.018 0.030 0.000 1.738 458 C CB -0.934 26.845 27.740 0.065 0.000 1.987 458 C HN -0.409 7.700 8.230 0.010 0.127 0.492 459 G N -2.220 106.585 108.800 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 -0.428 174.472 174.900 0.001 0.000 0.996 459 G CA -0.150 44.953 45.100 0.005 0.000 0.645 459 G HN -0.199 7.988 8.290 -0.002 0.101 0.498 460 E N 1.057 121.256 120.200 -0.003 0.000 2.345 460 E HA 0.091 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 -1.260 55.132 56.400 -0.013 0.000 0.913 460 E CB 1.014 30.710 29.700 -0.006 0.000 1.057 460 E HN -0.369 7.933 8.360 0.002 0.059 0.432 461 E N -0.208 119.970 120.200 -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 -1.890 54.486 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 1.024 178.286 177.300 -0.064 0.000 1.151 462 P CA 1.887 64.938 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 -2.411 113.264 115.700 -0.041 0.000 2.496 463 S HA -0.055 nan 4.470 nan 0.000 0.224 463 S C 0.971 175.560 174.600 -0.019 0.000 0.996 463 S CA 1.939 60.123 58.200 -0.026 0.000 0.927 463 S CB -0.146 63.045 63.200 -0.016 0.000 0.774 463 S HN 0.143 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 -0.121 nan 4.120 nan 0.000 0.245 464 V C 1.016 177.127 176.094 0.028 0.000 1.046 464 V CA 3.076 65.380 62.300 0.007 0.000 1.065 464 V CB 0.090 31.925 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 -1.033 118.857 119.914 -0.040 0.000 2.346 465 V HA -0.312 nan 4.120 nan 0.000 0.244 465 V C 1.407 177.495 176.094 -0.011 0.000 1.037 465 V CA 4.376 66.647 62.300 -0.049 0.000 1.029 465 V CB -1.050 30.498 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 -1.500 121.287 122.820 -0.054 0.000 2.070 466 A HA -0.332 nan 4.320 nan 0.000 0.220 466 A C 1.679 179.256 177.584 -0.011 0.000 1.159 466 A CA 3.221 55.238 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 -3.670 115.028 118.700 -0.003 0.000 2.251 467 N HA -0.102 nan 4.740 nan 0.000 0.181 467 N C 1.854 177.366 175.510 0.004 0.000 1.019 467 N CA 2.670 55.721 53.050 0.001 0.000 0.862 467 N CB 0.161 38.649 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 3.694 118.254 114.554 0.009 0.000 2.668 468 T HA -0.225 nan 4.350 nan 0.000 0.258 468 T C 2.225 176.911 174.700 -0.023 0.000 1.051 468 T CA 4.195 66.273 62.100 -0.036 0.000 1.155 468 T CB -0.183 68.588 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 1.764 121.670 119.914 -0.015 0.000 2.453 469 V HA -0.441 nan 4.120 nan 0.000 0.252 469 V C 1.636 177.694 176.094 -0.060 0.000 1.068 469 V CA 3.923 66.146 62.300 -0.128 0.000 1.070 469 V CB -1.133 30.652 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 2.709 59.001 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 0.029 0.439 471 G N -3.496 105.330 108.800 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 -0.956 174.009 174.900 0.110 0.000 0.938 471 G CA -0.251 44.883 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 0.399 109.297 108.800 0.163 0.000 3.148 472 G HA2 0.079 nan 3.960 nan 0.000 0.300 472 G HA3 0.079 nan 3.960 nan 0.000 0.300 472 G C -2.170 172.877 174.900 0.247 0.000 2.403 472 G CA -0.252 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 2.243 122.718 120.400 0.125 0.000 2.406 473 D HA -0.126 nan 4.640 nan 0.000 0.234 473 D C 0.750 177.120 176.300 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 8.302 8.370 0.085 0.000 0.453 474 G N 1.247 110.102 108.800 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 -0.800 174.165 174.900 0.107 0.000 1.311 474 G CA -0.431 44.723 45.100 0.089 0.000 0.915 474 G HN 0.140 8.475 8.290 0.073 0.000 0.528 475 N N -0.242 118.519 118.700 0.103 0.000 2.413 475 N HA -0.025 nan 4.740 nan 0.000 0.207 475 N C -0.717 174.881 175.510 0.147 0.000 1.206 475 N CA -0.076 53.031 53.050 0.095 0.000 0.832 475 N CB -0.397 38.132 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 1.266 121.596 120.300 0.050 0.000 2.442 476 Y HA -0.089 nan 4.550 nan 0.000 0.330 476 Y C -1.874 174.089 175.900 0.106 0.000 1.129 476 Y CA 0.445 58.587 58.100 0.071 0.000 1.365 476 Y CB 0.284 38.779 38.460 0.059 0.000 1.233 476 Y HN -0.758 7.573 8.280 0.274 0.113 0.529 477 G N 5.022 113.714 108.800 -0.179 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 -0.791 44.166 45.100 -0.238 0.000 0.784 477 G HN 0.368 8.738 8.290 0.134 0.000 0.497 478 Y N -0.368 119.844 120.300 -0.147 0.000 2.491 478 Y HA 0.149 nan 4.550 nan 0.000 0.334 478 Y C -1.304 174.497 175.900 -0.165 0.000 0.969 478 Y CA -1.908 56.039 58.100 -0.254 0.000 1.241 478 Y CB 0.458 38.671 38.460 -0.411 0.000 1.105 478 Y HN -0.070 8.260 8.280 0.084 0.000 0.503 479 N N 8.396 126.929 118.700 -0.278 0.000 2.406 479 N HA -0.119 nan 4.740 nan 0.000 0.269 479 N C -0.136 175.145 175.510 -0.382 0.000 1.210 479 N CA -0.530 52.391 53.050 -0.215 0.000 0.966 479 N CB -0.165 38.230 38.487 -0.154 0.000 1.293 479 N HN 0.336 8.467 8.380 -0.275 0.084 0.491 480 A N 5.611 128.328 122.820 -0.172 0.000 2.121 480 A HA -0.205 nan 4.320 nan 0.000 0.218 480 A C 1.125 178.658 177.584 -0.086 0.000 1.154 480 A CA 2.475 54.468 52.037 -0.074 0.000 0.679 480 A CB -0.519 18.581 19.000 0.168 0.000 0.795 480 A HN 0.102 8.240 8.150 -0.019 0.000 0.458 481 A N -2.912 119.856 122.820 -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 -0.260 18.713 19.000 -0.044 0.000 0.801 481 A HN 0.042 8.261 8.150 -0.090 -0.123 0.452 482 T N -9.404 105.069 114.554 -0.136 0.000 3.130 482 T HA 0.183 nan 4.350 nan 0.000 0.288 482 T C 0.119 174.686 174.700 -0.221 0.000 0.936 482 T CA -0.658 61.361 62.100 -0.136 0.000 0.897 482 T CB 0.977 69.778 68.868 -0.112 0.000 1.178 482 T HN -0.661 7.599 8.240 -0.185 -0.131 0.543 483 E N -1.360 118.607 120.200 -0.387 0.000 2.637 483 E HA -0.430 nan 4.350 nan 0.000 0.265 483 E C -1.370 174.725 176.600 -0.842 0.000 1.073 483 E CA 1.482 57.444 56.400 -0.730 0.000 0.778 483 E CB -1.598 27.952 29.700 -0.249 0.000 1.362 483 E HN 0.258 8.280 8.360 -0.357 0.124 0.413 484 E N -2.988 116.815 120.200 -0.661 0.000 2.183 484 E HA 0.319 nan 4.350 nan 0.000 0.271 484 E C -0.908 175.526 176.600 -0.277 0.000 0.919 484 E CA -2.338 53.844 56.400 -0.364 0.000 0.781 484 E CB 1.960 31.575 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 2.361 122.663 120.300 0.004 0.000 2.616 485 Y HA 0.005 nan 4.550 nan 0.000 0.350 485 Y C -0.150 175.940 175.900 0.317 0.000 1.119 485 Y CA 0.475 58.700 58.100 0.208 0.000 1.467 485 Y CB -1.015 37.687 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 1.429 110.440 108.800 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 -1.695 43.572 45.100 0.279 0.000 0.959 486 G HN -0.380 8.041 8.290 0.219 0.000 0.522 487 N N 0.805 119.618 118.700 0.189 0.000 2.416 487 N HA 0.042 nan 4.740 nan 0.000 0.271 487 N C 1.613 177.186 175.510 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 5.854 125.515 119.600 0.101 0.000 2.144 488 M HA -0.398 nan 4.480 nan 0.000 0.260 488 M C 1.733 178.058 176.300 0.042 0.000 1.067 488 M CA 4.298 59.633 55.300 0.057 0.000 1.095 488 M CB -0.430 32.198 32.600 0.046 0.000 1.365 488 M HN 0.355 8.725 8.290 0.133 0.000 0.406 489 I N -1.441 119.156 120.570 0.046 0.000 2.353 489 I HA -0.349 nan 4.170 nan 0.000 0.248 489 I C 3.113 179.248 176.117 0.029 0.000 1.119 489 I CA 2.528 63.848 61.300 0.034 0.000 1.417 489 I CB -1.469 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 1.297 121.718 120.400 0.035 0.000 2.178 490 D HA -0.170 nan 4.640 nan 0.000 0.202 490 D C 1.854 178.168 176.300 0.022 0.000 0.974 490 D CA 2.997 57.014 54.000 0.028 0.000 0.841 490 D CB 0.071 40.890 40.800 0.032 0.000 0.953 490 D HN 0.127 8.902 8.370 0.045 -0.378 0.478 491 M N -3.445 116.170 119.600 0.025 0.000 2.618 491 M HA 0.029 nan 4.480 nan 0.000 0.240 491 M C 0.456 176.760 176.300 0.007 0.000 1.123 491 M CA 0.398 55.706 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 -1.168 107.639 108.800 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 0.860 45.966 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 3.864 124.440 120.570 0.009 0.000 2.268 493 I HA 0.232 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 60.185 61.300 0.007 0.000 1.236 493 I CB -2.699 35.301 38.000 0.001 0.000 1.469 493 I HN -0.176 7.999 8.210 0.012 0.042 0.512 494 L N 2.203 123.435 121.223 0.014 0.000 2.223 494 L HA 0.910 nan 4.340 nan 0.000 0.243 494 L C -1.262 175.619 176.870 0.018 0.000 1.105 494 L CA -2.244 52.607 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 7.839 8.230 0.012 0.000 0.437 495 D N -4.788 115.624 120.400 0.020 0.000 2.745 495 D HA 0.359 nan 4.640 nan 0.000 0.221 495 D C -2.966 173.347 176.300 0.023 0.000 1.237 495 D CA -1.417 52.596 54.000 0.022 0.000 0.781 495 D CB 0.385 41.199 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 -0.233 nan 4.420 nan 0.000 0.269 496 P C 0.296 177.611 177.300 0.024 0.000 1.200 496 P CA 0.562 63.677 63.100 0.025 0.000 0.779 496 P CB 0.428 32.146 31.700 0.029 0.000 0.841 497 T N 2.216 116.783 114.554 0.022 0.000 2.942 497 T HA -0.175 nan 4.350 nan 0.000 0.265 497 T C 1.659 176.371 174.700 0.021 0.000 1.062 497 T CA 4.284 66.396 62.100 0.019 0.000 1.139 497 T CB -0.054 68.823 68.868 0.016 0.000 0.883 497 T HN 0.280 8.435 8.240 0.021 0.098 0.468 498 K N 0.989 121.403 120.400 0.024 0.000 2.020 498 K HA -0.393 nan 4.320 nan 0.000 0.212 498 K C 1.482 178.106 176.600 0.039 0.000 1.050 498 K CA 4.003 60.308 56.287 0.029 0.000 0.929 498 K CB -0.399 32.121 32.500 0.034 0.000 0.714 498 K HN 0.162 8.414 8.250 0.024 0.013 0.443 499 V N -6.808 113.130 119.914 0.041 0.000 2.358 499 V HA -0.142 nan 4.120 nan 0.000 0.246 499 V C 1.721 177.842 176.094 0.045 0.000 1.047 499 V CA 2.979 65.308 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 -0.010 8.202 8.190 0.036 0.000 0.452 500 T N 1.467 116.041 114.554 0.032 0.000 2.915 500 T HA -0.214 nan 4.350 nan 0.000 0.269 500 T C 1.928 176.640 174.700 0.020 0.000 1.071 500 T CA 4.068 66.184 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 7.621 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 0.040 8.203 8.270 0.020 0.119 0.431 502 S N -0.585 115.122 115.700 0.012 0.000 2.653 502 S HA -0.176 nan 4.470 nan 0.000 0.233 502 S C 1.061 175.761 174.600 0.165 0.000 0.970 502 S CA 2.111 60.335 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 0.341 8.565 8.310 0.032 0.105 0.538 503 A N 1.240 124.115 122.820 0.092 0.000 1.942 503 A HA 0.083 nan 4.320 nan 0.000 0.209 503 A C 1.028 178.653 177.584 0.069 0.000 1.214 503 A CA 2.266 54.365 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 -0.766 120.470 121.223 0.021 0.000 2.179 504 L HA -0.240 nan 4.340 nan 0.000 0.208 504 L C 1.868 178.714 176.870 -0.040 0.000 1.096 504 L CA 2.952 57.791 54.840 -0.002 0.000 0.779 504 L CB -0.215 41.838 42.059 -0.010 0.000 0.922 504 L HN -0.629 7.526 8.230 0.014 0.083 0.443 505 Q N -1.686 118.046 119.800 -0.113 0.000 2.119 505 Q HA -0.310 nan 4.340 nan 0.000 0.201 505 Q C 2.512 178.339 176.000 -0.288 0.000 0.972 505 Q CA 3.336 58.992 55.803 -0.245 0.000 0.847 505 Q CB -0.030 28.472 28.738 -0.394 0.000 0.903 505 Q HN 0.389 8.495 8.270 -0.100 0.105 0.433 506 Y N -2.509 117.796 120.300 0.008 0.000 2.365 506 Y HA -0.192 nan 4.550 nan 0.000 0.293 506 Y C 1.089 176.993 175.900 0.007 0.000 1.119 506 Y CA 1.983 60.087 58.100 0.007 0.000 1.203 506 Y CB -0.399 38.066 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 -0.571 122.327 122.820 0.131 0.000 1.883 507 A HA -0.402 nan 4.320 nan 0.000 0.217 507 A C 1.574 179.190 177.584 0.054 0.000 1.186 507 A CA 3.121 55.206 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 -0.310 7.912 8.150 0.119 0.000 0.444 508 A N -5.138 117.700 122.820 0.029 0.000 2.169 508 A HA -0.082 nan 4.320 nan 0.000 0.212 508 A C 1.724 179.321 177.584 0.021 0.000 1.153 508 A CA 1.775 53.822 52.037 0.016 0.000 0.756 508 A CB -0.822 18.176 19.000 -0.003 0.000 0.813 508 A HN -0.276 7.884 8.150 0.016 0.000 0.471 509 S N 0.129 115.852 115.700 0.038 0.000 2.335 509 S HA -0.212 nan 4.470 nan 0.000 0.217 509 S C 1.968 176.605 174.600 0.061 0.000 1.032 509 S CA 3.365 61.596 58.200 0.052 0.000 0.985 509 S CB 0.103 63.365 63.200 0.104 0.000 0.896 509 S HN -0.743 7.424 8.310 0.049 0.173 0.445 510 V N 0.553 120.514 119.914 0.077 0.000 2.233 510 V HA -0.423 nan 4.120 nan 0.000 0.247 510 V C 1.871 177.989 176.094 0.041 0.000 1.050 510 V CA 3.068 65.402 62.300 0.057 0.000 1.010 510 V CB -1.331 30.525 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 -1.568 121.275 122.820 0.038 0.000 2.042 511 A HA -0.340 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 3.228 55.282 52.037 0.028 0.000 0.649 511 A CB -0.910 18.105 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 -1.714 107.101 108.800 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 1.141 176.054 174.900 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 2.592 179.478 176.870 0.025 0.000 1.087 513 L CA 2.818 57.674 54.840 0.026 0.000 0.757 513 L CB -0.055 42.022 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 -2.213 117.402 119.600 0.025 0.000 2.236 514 M HA -0.285 nan 4.480 nan 0.000 0.266 514 M C 2.588 178.901 176.300 0.022 0.000 1.070 514 M CA 3.579 58.893 55.300 0.024 0.000 1.137 514 M CB 0.241 32.856 32.600 0.024 0.000 1.378 514 M HN -0.347 7.930 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 1.413 177.542 176.117 0.020 0.000 1.117 515 I CA 3.017 64.329 61.300 0.018 0.000 1.404 515 I CB 0.176 38.185 38.000 0.016 0.000 1.071 515 I HN -0.563 7.660 8.210 0.021 0.000 0.419 516 T N -6.690 107.877 114.554 0.021 0.000 3.235 516 T HA 0.169 nan 4.350 nan 0.000 0.251 516 T C 0.237 174.953 174.700 0.027 0.000 1.060 516 T CA -0.704 61.409 62.100 0.023 0.000 0.949 516 T CB -0.651 68.230 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 3.393 117.964 114.554 0.028 0.000 2.882 517 T HA 0.136 nan 4.350 nan 0.000 0.287 517 T C -0.350 174.374 174.700 0.040 0.000 0.992 517 T CA 0.666 62.785 62.100 0.031 0.000 1.076 517 T CB 1.217 70.101 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 1.203 121.435 120.200 0.053 0.000 2.474 518 E HA 0.189 nan 4.350 nan 0.000 0.215 518 E C -1.609 175.051 176.600 0.100 0.000 0.867 518 E CA 0.668 57.120 56.400 0.087 0.000 1.135 518 E CB 1.989 31.756 29.700 0.112 0.000 1.147 518 E HN 0.319 8.708 8.360 0.050 0.000 0.534 519 C N -1.829 117.491 119.300 0.033 0.000 2.888 519 C HA 0.675 nan 4.460 nan 0.000 0.308 519 C C -1.675 173.266 174.990 -0.083 0.000 1.213 519 C CA -1.862 57.096 59.018 -0.101 0.000 1.461 519 C CB 1.990 29.675 27.740 -0.092 0.000 1.934 519 C HN -0.483 7.767 8.230 0.033 0.000 0.474 520 M N 5.931 125.463 119.600 -0.113 0.000 2.263 520 M HA 0.354 nan 4.480 nan 0.000 0.295 520 M C -1.872 174.457 176.300 0.049 0.000 1.028 520 M CA -0.516 54.804 55.300 0.034 0.000 0.921 520 M CB 3.716 36.440 32.600 0.208 0.000 1.601 520 M HN 0.403 8.542 8.290 -0.252 0.000 0.440 521 V N 3.728 123.643 119.914 0.001 0.000 2.448 521 V HA 0.428 nan 4.120 nan 0.000 0.295 521 V C -1.013 175.028 176.094 -0.087 0.000 1.025 521 V CA -0.224 62.060 62.300 -0.027 0.000 0.859 521 V CB 1.305 33.105 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 -0.180 0.000 1.205 522 T CA -0.957 60.997 62.100 -0.244 0.000 1.009 522 T CB 1.299 69.854 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