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_D 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 -2.127 174.129 176.600 -0.572 0.000 0.933 7 K CA -1.224 54.784 56.287 -0.465 0.000 0.798 7 K CB 4.574 36.651 32.500 -0.704 0.000 1.238 7 K HN 0.303 8.361 8.250 -0.320 0.000 0.428 8 F N 0.073 119.975 119.950 -0.080 0.000 2.538 8 F HA 0.654 nan 4.527 nan 0.000 0.325 8 F C 0.526 176.296 175.800 -0.051 0.000 1.066 8 F CA -0.744 57.229 58.000 -0.045 0.000 0.946 8 F CB 2.782 41.764 39.000 -0.030 0.000 1.199 8 F HN 0.076 8.380 8.300 0.007 0.000 0.473 9 G N 1.146 110.058 108.800 0.187 0.000 2.627 9 G HA2 -0.582 nan 3.960 nan 0.000 0.312 9 G HA3 -0.582 nan 3.960 nan 0.000 0.312 9 G C 0.167 175.087 174.900 0.034 0.000 1.299 9 G CA 1.304 46.459 45.100 0.092 0.000 0.989 9 G HN 0.495 8.929 8.290 0.240 0.000 0.547 10 N N 3.327 122.039 118.700 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 56.169 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 -0.598 119.780 120.400 -0.035 0.000 2.264 11 D HA -0.201 nan 4.640 nan 0.000 0.208 11 D C 1.186 177.390 176.300 -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 40.227 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 -0.606 122.142 122.820 -0.120 0.000 1.903 12 A HA 0.042 nan 4.320 nan 0.000 0.213 12 A C 1.950 179.501 177.584 -0.055 0.000 1.185 12 A CA 2.458 54.418 52.037 -0.129 0.000 0.628 12 A CB -0.347 18.608 19.000 -0.074 0.000 0.830 12 A HN 0.167 8.109 8.150 -0.064 0.169 0.446 13 G N -1.534 107.248 108.800 -0.030 0.000 2.408 13 G HA2 -0.260 nan 3.960 nan 0.000 0.217 13 G HA3 -0.260 nan 3.960 nan 0.000 0.217 13 G C 1.079 175.973 174.900 -0.010 0.000 1.150 13 G CA 2.011 47.105 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 -2.638 117.261 119.914 -0.025 0.000 2.626 14 V HA -0.134 nan 4.120 nan 0.000 0.252 14 V C 1.746 177.833 176.094 -0.011 0.000 1.067 14 V CA 3.018 65.307 62.300 -0.019 0.000 1.081 14 V CB -0.893 30.913 31.823 -0.027 0.000 0.686 14 V HN 0.446 8.518 8.190 -0.038 0.096 0.468 15 K N 0.060 120.450 120.400 -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 1.813 58.116 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 -0.688 7.400 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 2.419 178.737 176.300 0.029 0.000 1.065 16 M CA 3.840 59.166 55.300 0.043 0.000 1.114 16 M CB 0.176 32.798 32.600 0.036 0.000 1.361 16 M HN -0.457 7.851 8.290 0.029 0.000 0.408 17 L N -1.517 119.719 121.223 0.021 0.000 2.027 17 L HA -0.316 nan 4.340 nan 0.000 0.206 17 L C 1.537 178.417 176.870 0.016 0.000 1.074 17 L CA 3.260 58.109 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 -1.663 118.847 120.500 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 0.020 0.000 1.146 18 R CA 3.850 59.960 56.100 0.017 0.000 0.962 18 R CB -0.223 30.089 30.300 0.020 0.000 0.863 18 R HN -0.255 8.024 8.270 0.016 0.000 0.442 19 G N -4.968 103.847 108.800 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 0.572 175.482 174.900 0.017 0.000 1.160 19 G CA 0.613 45.726 45.100 0.022 0.000 0.770 19 G HN -0.443 7.864 8.290 0.031 0.002 0.543 20 V N 3.268 123.192 119.914 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 3.590 65.899 62.300 0.015 0.000 1.045 20 V CB -0.203 31.630 31.823 0.016 0.000 0.681 20 V HN -0.277 7.747 8.190 0.019 0.178 0.459 21 N N -0.766 117.941 118.700 0.011 0.000 2.166 21 N HA -0.274 nan 4.740 nan 0.000 0.186 21 N C 2.264 177.778 175.510 0.008 0.000 1.019 21 N CA 3.420 56.476 53.050 0.009 0.000 0.856 21 N CB -0.555 37.936 38.487 0.008 0.000 0.993 21 N HN -0.043 8.344 8.380 0.012 0.000 0.426 22 V N 0.577 120.496 119.914 0.008 0.000 2.237 22 V HA -0.358 nan 4.120 nan 0.000 0.245 22 V C 1.778 177.875 176.094 0.006 0.000 1.046 22 V CA 4.050 66.354 62.300 0.007 0.000 1.007 22 V CB -0.617 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 3.332 58.175 54.840 0.005 0.000 0.755 23 L CB -0.802 41.260 42.059 0.006 0.000 0.889 23 L HN -0.797 7.438 8.230 0.008 0.000 0.432 24 A N -2.153 120.671 122.820 0.007 0.000 1.877 24 A HA -0.407 nan 4.320 nan 0.000 0.216 24 A C 1.948 179.535 177.584 0.006 0.000 1.186 24 A CA 3.392 55.434 52.037 0.007 0.000 0.620 24 A CB -1.001 18.004 19.000 0.009 0.000 0.822 24 A HN 0.603 8.652 8.150 0.008 0.106 0.443 25 D N -1.212 119.191 120.400 0.005 0.000 2.182 25 D HA -0.265 nan 4.640 nan 0.000 0.201 25 D C 1.485 177.788 176.300 0.004 0.000 0.986 25 D CA 2.838 56.840 54.000 0.004 0.000 0.847 25 D CB -0.401 40.402 40.800 0.004 0.000 0.942 25 D HN 0.181 8.436 8.370 0.006 0.118 0.467 26 A N -2.103 120.719 122.820 0.004 0.000 1.903 26 A HA 0.025 nan 4.320 nan 0.000 0.213 26 A C 1.474 179.060 177.584 0.004 0.000 1.185 26 A CA 2.420 54.459 52.037 0.003 0.000 0.628 26 A CB 0.601 19.602 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 2.230 178.327 176.094 0.006 0.000 1.045 27 V CA 3.348 65.651 62.300 0.005 0.000 1.058 27 V CB -0.482 31.344 31.823 0.005 0.000 0.689 27 V HN -0.636 7.557 8.190 0.004 0.000 0.461 28 K N -0.021 120.382 120.400 0.005 0.000 2.442 28 K HA -0.247 nan 4.320 nan 0.000 0.198 28 K C 2.480 179.083 176.600 0.004 0.000 1.042 28 K CA 2.731 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 -0.503 119.414 119.914 0.004 0.000 2.759 29 V HA -0.203 nan 4.120 nan 0.000 0.256 29 V C 1.013 177.109 176.094 0.004 0.000 1.080 29 V CA 3.078 65.380 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 -4.804 109.753 114.554 0.005 0.000 3.081 30 T HA -0.002 nan 4.350 nan 0.000 0.250 30 T C 0.228 174.932 174.700 0.007 0.000 1.100 30 T CA 0.057 62.161 62.100 0.006 0.000 1.038 30 T CB -0.032 68.840 68.868 0.007 0.000 0.962 30 T HN -0.403 7.705 8.240 0.005 0.135 0.516 31 L N 3.392 124.619 121.223 0.007 0.000 2.453 31 L HA -0.096 nan 4.340 nan 0.000 0.272 31 L C -0.228 176.647 176.870 0.009 0.000 1.182 31 L CA 1.384 56.229 54.840 0.008 0.000 0.858 31 L CB 0.404 42.467 42.059 0.007 0.000 1.120 31 L HN -0.720 7.332 8.230 0.006 0.182 0.474 32 G N 3.099 111.906 108.800 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 -1.808 173.100 174.900 0.014 0.000 1.257 32 G CA -0.693 44.416 45.100 0.015 0.000 0.846 32 G HN -0.451 7.846 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 0.805 63.911 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 -1.529 118.879 120.400 0.013 0.000 3.010 34 K HA 0.255 nan 4.320 nan 0.000 0.211 34 K C -0.503 176.103 176.600 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 -0.080 8.119 8.250 0.016 0.060 0.463 35 G N -0.650 108.155 108.800 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 -1.277 173.626 174.900 0.006 0.000 1.247 35 G CA -0.084 45.021 45.100 0.008 0.000 0.840 35 G HN -0.627 7.582 8.290 0.009 0.086 0.578 36 R N 1.469 121.972 120.500 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 -1.345 117.358 118.700 0.005 0.000 2.483 37 N HA 0.127 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 0.167 53.220 53.050 0.005 0.000 0.969 37 N CB 1.196 39.685 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 2.374 122.291 119.914 0.004 0.000 2.577 38 V HA 0.241 nan 4.120 nan 0.000 0.303 38 V C -1.225 174.871 176.094 0.004 0.000 1.042 38 V CA -0.731 61.571 62.300 0.004 0.000 0.872 38 V CB 3.299 35.124 31.823 0.004 0.000 0.998 38 V HN 0.618 8.811 8.190 0.005 0.000 0.423 39 V N 6.570 126.485 119.914 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 -0.889 61.412 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 9.022 130.246 121.223 0.002 0.000 2.277 40 L HA 0.331 nan 4.340 nan 0.000 0.284 40 L C -0.579 176.291 176.870 -0.001 0.000 1.028 40 L CA -1.346 53.494 54.840 0.000 0.000 0.835 40 L CB 0.542 42.603 42.059 0.003 0.000 1.215 40 L HN 0.791 9.023 8.230 0.004 0.000 0.425 41 D N 5.612 126.008 120.400 -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 0.993 54.986 54.000 -0.011 0.000 0.891 41 D CB 1.428 42.217 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 0.015 120.403 120.400 -0.020 0.000 2.512 42 K HA 0.254 nan 4.320 nan 0.000 0.263 42 K C 0.815 177.368 176.600 -0.079 0.000 0.966 42 K CA -1.013 55.258 56.287 -0.027 0.000 0.851 42 K CB 2.672 35.180 32.500 0.013 0.000 1.395 42 K HN -0.141 8.098 8.250 -0.019 0.000 0.440 43 S N 1.466 117.078 115.700 -0.147 0.000 2.381 43 S HA -0.264 nan 4.470 nan 0.000 0.230 43 S C 0.493 174.748 174.600 -0.574 0.000 1.052 43 S CA 2.596 60.560 58.200 -0.393 0.000 1.068 43 S CB -0.168 62.730 63.200 -0.504 0.000 0.918 43 S HN 0.520 8.770 8.310 -0.100 0.000 0.448 44 F N 2.059 122.006 119.950 -0.006 0.000 2.550 44 F HA 0.152 nan 4.527 nan 0.000 0.312 44 F C -0.068 175.730 175.800 -0.004 0.000 1.256 44 F CA -0.533 57.464 58.000 -0.006 0.000 1.182 44 F CB -0.530 38.466 39.000 -0.007 0.000 1.383 44 F HN -0.639 7.674 8.300 0.021 0.000 0.541 45 G N 1.235 110.087 108.800 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 -1.379 173.555 174.900 0.057 0.000 1.586 45 G CA -0.215 44.921 45.100 0.060 0.000 1.051 45 G HN -0.396 7.838 8.290 0.008 0.061 0.572 46 A N 0.023 122.864 122.820 0.034 0.000 2.009 46 A HA -0.175 nan 4.320 nan 0.000 0.247 46 A C -2.304 175.294 177.584 0.024 0.000 1.355 46 A CA -0.539 51.515 52.037 0.028 0.000 0.696 46 A CB -0.516 18.504 19.000 0.033 0.000 1.175 46 A HN 0.006 8.172 8.150 0.027 0.000 0.279 47 P HA -0.069 nan 4.420 nan 0.000 0.265 47 P C -0.524 176.783 177.300 0.013 0.000 1.187 47 P CA -0.188 62.918 63.100 0.011 0.000 0.766 47 P CB 0.435 32.138 31.700 0.005 0.000 0.820 48 T N -0.233 114.328 114.554 0.013 0.000 2.728 48 T HA 0.282 nan 4.350 nan 0.000 0.296 48 T C -0.171 174.535 174.700 0.010 0.000 0.940 48 T CA -1.072 61.036 62.100 0.013 0.000 1.013 48 T CB 0.408 69.285 68.868 0.015 0.000 0.912 48 T HN 0.220 8.467 8.240 0.011 0.000 0.484 49 I N 7.757 128.333 120.570 0.009 0.000 2.308 49 I HA 0.306 nan 4.170 nan 0.000 0.293 49 I C -0.191 175.931 176.117 0.008 0.000 1.078 49 I CA -0.011 61.293 61.300 0.007 0.000 1.292 49 I CB -0.773 37.232 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 6.497 121.056 114.554 0.008 0.000 2.807 50 T HA 0.565 nan 4.350 nan 0.000 0.277 50 T C -1.161 173.543 174.700 0.007 0.000 1.006 50 T CA -1.911 60.194 62.100 0.008 0.000 1.006 50 T CB 3.143 72.016 68.868 0.009 0.000 1.274 50 T HN 0.838 9.082 8.240 0.007 0.000 0.569 51 K N -2.254 118.151 120.400 0.008 0.000 2.817 51 K HA 0.172 nan 4.320 nan 0.000 0.183 51 K C -2.201 174.404 176.600 0.008 0.000 1.145 51 K CA 0.020 56.312 56.287 0.007 0.000 1.114 51 K CB 1.327 33.832 32.500 0.007 0.000 0.767 51 K HN 0.209 8.464 8.250 0.008 0.000 0.453 52 D N -0.257 120.148 120.400 0.008 0.000 2.414 52 D HA 0.151 nan 4.640 nan 0.000 0.232 52 D C 0.876 177.181 176.300 0.007 0.000 1.070 52 D CA -1.531 52.474 54.000 0.009 0.000 0.839 52 D CB 1.009 41.815 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 5.097 113.902 108.800 0.007 0.000 2.574 53 G HA2 -0.457 nan 3.960 nan 0.000 0.220 53 G HA3 -0.457 nan 3.960 nan 0.000 0.220 53 G C 0.908 175.811 174.900 0.004 0.000 1.173 53 G CA 2.374 47.478 45.100 0.006 0.000 0.772 53 G HN 0.580 8.875 8.290 0.008 0.000 0.585 54 V N 0.410 120.326 119.914 0.003 0.000 2.223 54 V HA -0.437 nan 4.120 nan 0.000 0.244 54 V C 1.892 177.987 176.094 0.003 0.000 1.045 54 V CA 4.067 66.367 62.300 0.000 0.000 1.000 54 V CB -0.337 31.485 31.823 -0.002 0.000 0.635 54 V HN -0.616 7.752 8.190 0.004 -0.176 0.445 55 S N -0.751 114.953 115.700 0.006 0.000 2.399 55 S HA -0.500 nan 4.470 nan 0.000 0.235 55 S C 1.988 176.592 174.600 0.006 0.000 1.063 55 S CA 3.731 61.936 58.200 0.008 0.000 1.070 55 S CB -0.417 62.789 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 -0.512 119.405 119.914 0.005 0.000 2.307 56 V HA -0.314 nan 4.120 nan 0.000 0.245 56 V C 2.183 178.279 176.094 0.002 0.000 1.045 56 V CA 4.000 66.302 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 -0.105 122.716 122.820 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 2.928 54.965 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 -2.034 118.467 120.500 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 0.004 0.000 0.982 58 R CB 0.157 30.462 30.300 0.008 0.000 0.868 58 R HN -0.099 8.150 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 -0.642 175.956 176.600 -0.003 0.000 1.101 59 E CA -0.883 55.517 56.400 -0.001 0.000 1.254 59 E CB -0.604 29.095 29.700 -0.001 0.000 1.240 59 E HN -0.570 7.653 8.360 0.002 0.138 0.439 60 I N 0.738 121.306 120.570 -0.003 0.000 2.466 60 I HA 0.116 nan 4.170 nan 0.000 0.279 60 I C -2.115 173.999 176.117 -0.006 0.000 1.033 60 I CA -0.484 60.814 61.300 -0.004 0.000 1.123 60 I CB 1.304 39.303 38.000 -0.002 0.000 1.237 60 I HN -0.251 7.879 8.210 -0.003 0.079 0.460 61 E N 7.520 127.715 120.200 -0.008 0.000 2.246 61 E HA 0.224 nan 4.350 nan 0.000 0.266 61 E C -1.822 174.771 176.600 -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 4.725 125.943 121.223 -0.009 0.000 2.387 62 L HA 0.222 nan 4.340 nan 0.000 0.266 62 L C 0.383 177.247 176.870 -0.010 0.000 1.059 62 L CA -0.681 54.156 54.840 -0.005 0.000 0.801 62 L CB 1.045 43.106 42.059 0.004 0.000 1.223 62 L HN 0.095 8.319 8.230 -0.011 0.000 0.456 63 E N 1.057 121.254 120.200 -0.006 0.000 2.106 63 E HA -0.278 nan 4.350 nan 0.000 0.192 63 E C 0.029 176.624 176.600 -0.008 0.000 0.984 63 E CA 2.164 58.559 56.400 -0.008 0.000 0.806 63 E CB 0.377 30.076 29.700 -0.003 0.000 0.750 63 E HN 0.437 8.796 8.360 -0.001 0.000 0.458 64 D N -1.046 119.358 120.400 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 1.569 42.409 40.800 0.066 0.000 1.192 64 D HN -0.152 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 59.378 56.287 -0.224 0.000 0.932 65 K CB 0.000 32.245 32.500 -0.424 0.000 0.716 65 K HN 0.329 8.537 8.250 -0.069 0.000 0.439 66 F N -3.037 116.897 119.950 -0.027 0.000 2.120 66 F HA -0.389 nan 4.527 nan 0.000 0.300 66 F C 2.217 178.004 175.800 -0.023 0.000 1.095 66 F CA 3.949 61.931 58.000 -0.030 0.000 1.249 66 F CB -0.653 38.327 39.000 -0.032 0.000 0.995 66 F HN -0.404 7.941 8.300 -0.187 -0.157 0.480 67 E N -1.866 118.424 120.200 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 2.622 59.070 56.400 0.080 0.000 0.803 67 E CB -0.478 29.259 29.700 0.061 0.000 0.755 67 E HN -0.420 8.187 8.360 0.161 -0.151 0.453 68 N N 0.229 118.935 118.700 0.009 0.000 2.104 68 N HA -0.342 nan 4.740 nan 0.000 0.190 68 N C 2.057 177.559 175.510 -0.013 0.000 1.024 68 N CA 3.159 56.202 53.050 -0.013 0.000 0.853 68 N CB 0.301 38.766 38.487 -0.037 0.000 1.008 68 N HN -0.208 8.109 8.380 0.006 0.067 0.424 69 M N -0.781 118.808 119.600 -0.019 0.000 2.084 69 M HA -0.430 nan 4.480 nan 0.000 0.259 69 M C 2.022 178.330 176.300 0.012 0.000 1.072 69 M CA 4.108 59.400 55.300 -0.012 0.000 1.107 69 M CB -0.049 32.545 32.600 -0.010 0.000 1.299 69 M HN 0.422 8.624 8.290 -0.030 0.070 0.413 70 G N -4.071 104.751 108.800 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 0.486 175.399 174.900 0.022 0.000 1.109 70 G CA 2.088 47.209 45.100 0.035 0.000 0.749 70 G HN -0.031 8.292 8.290 0.056 0.000 0.568 71 A N 0.429 123.258 122.820 0.015 0.000 1.942 71 A HA 0.193 nan 4.320 nan 0.000 0.209 71 A C 1.983 179.569 177.584 0.003 0.000 1.214 71 A CA 1.560 53.603 52.037 0.009 0.000 0.686 71 A CB -0.109 18.895 19.000 0.007 0.000 0.871 71 A HN -0.398 7.592 8.150 0.015 0.169 0.460 72 Q N -1.377 118.421 119.800 -0.002 0.000 2.364 72 Q HA -0.298 nan 4.340 nan 0.000 0.209 72 Q C 2.496 178.492 176.000 -0.006 0.000 0.977 72 Q CA 2.219 58.017 55.803 -0.008 0.000 0.885 72 Q CB -0.577 28.151 28.738 -0.016 0.000 0.941 72 Q HN 0.252 8.521 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 -0.247 nan 4.480 nan 0.000 0.261 73 M C 1.548 177.852 176.300 0.006 0.000 1.079 73 M CA 4.340 59.642 55.300 0.005 0.000 1.143 73 M CB 0.102 32.709 32.600 0.012 0.000 1.332 73 M HN -0.422 7.818 8.290 0.004 0.053 0.421 74 V N -1.390 118.530 119.914 0.010 0.000 2.688 74 V HA -0.448 nan 4.120 nan 0.000 0.256 74 V C 2.343 178.437 176.094 -0.000 0.000 1.084 74 V CA 3.810 66.117 62.300 0.012 0.000 1.103 74 V CB -1.588 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 -2.165 118.230 120.400 -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 -0.243 32.250 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 -1.003 119.179 120.200 -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 2.536 58.909 56.400 -0.045 0.000 0.823 76 E CB 0.909 30.591 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 -0.988 118.890 119.914 -0.061 0.000 2.302 77 V HA -0.214 nan 4.120 nan 0.000 0.243 77 V C 2.253 178.231 176.094 -0.193 0.000 1.036 77 V CA 3.974 66.220 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 -0.449 7.724 8.190 -0.030 0.000 0.453 78 A N -1.539 121.231 122.820 -0.084 0.000 2.178 78 A HA -0.287 nan 4.320 nan 0.000 0.218 78 A C 1.323 178.825 177.584 -0.138 0.000 1.157 78 A CA 2.829 54.822 52.037 -0.074 0.000 0.689 78 A CB -1.012 17.980 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 -3.317 112.286 115.700 -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 -0.218 0.000 1.026 79 S CA 2.936 61.050 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 0.667 120.828 120.400 -0.399 0.000 2.515 80 K HA -0.179 nan 4.320 nan 0.000 0.196 80 K C 1.472 177.705 176.600 -0.611 0.000 1.038 80 K CA 1.677 57.620 56.287 -0.575 0.000 0.967 80 K CB -0.467 31.518 32.500 -0.859 0.000 0.780 80 K HN -0.279 7.581 8.250 -0.415 0.141 0.483 81 A N -0.151 122.413 122.820 -0.428 0.000 1.823 81 A HA -0.227 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 2.754 54.756 52.037 -0.057 0.000 0.604 81 A CB -0.494 18.524 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 -0.546 118.130 118.700 -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 3.132 56.162 53.050 -0.034 0.000 0.861 82 N CB -0.225 38.236 38.487 -0.043 0.000 1.039 82 N HN -0.122 8.223 8.380 -0.058 0.000 0.427 83 D N 0.068 120.424 120.400 -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 56.943 54.000 -0.073 0.000 0.867 83 D CB -0.203 40.543 40.800 -0.090 0.000 0.926 83 D HN -0.327 7.986 8.370 -0.094 0.000 0.450 84 A N -3.317 119.501 122.820 -0.004 0.000 1.993 84 A HA 0.126 nan 4.320 nan 0.000 0.207 84 A C 0.282 177.892 177.584 0.045 0.000 1.224 84 A CA 1.592 53.654 52.037 0.041 0.000 0.749 84 A CB 0.842 19.912 19.000 0.116 0.000 0.884 84 A HN -0.429 7.595 8.150 -0.011 0.119 0.467 85 A N -4.601 118.251 122.820 0.053 0.000 2.014 85 A HA 0.115 nan 4.320 nan 0.000 0.210 85 A C 0.544 178.144 177.584 0.027 0.000 1.188 85 A CA 0.948 53.014 52.037 0.050 0.000 0.731 85 A CB 0.916 19.959 19.000 0.072 0.000 0.858 85 A HN 0.324 8.508 8.150 0.056 0.000 0.464 86 G N -3.139 105.664 108.800 0.004 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 0.168 8.345 8.290 0.004 0.115 0.499 87 D N -0.764 119.647 120.400 0.018 0.000 2.714 87 D HA 0.278 nan 4.640 nan 0.000 0.278 87 D C -0.590 175.728 176.300 0.030 0.000 1.102 87 D CA -1.861 52.152 54.000 0.021 0.000 1.108 87 D CB 2.027 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 -0.327 nan 3.960 nan 0.000 0.209 88 G HA3 -0.327 nan 3.960 nan 0.000 0.209 88 G C 0.815 175.735 174.900 0.034 0.000 0.997 88 G CA 0.695 45.821 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 4.036 118.597 114.554 0.012 0.000 2.622 89 T HA -0.373 nan 4.350 nan 0.000 0.266 89 T C 1.686 176.392 174.700 0.010 0.000 1.047 89 T CA 5.316 67.416 62.100 -0.001 0.000 1.159 89 T CB -0.554 68.305 68.868 -0.015 0.000 0.863 89 T HN 0.449 8.693 8.240 0.008 0.000 0.422 90 T N 1.709 116.270 114.554 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 4.677 66.784 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 3.531 118.098 114.554 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 4.589 66.705 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 8.125 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 2.022 179.631 177.584 0.043 0.000 1.169 92 A CA 3.168 55.240 52.037 0.059 0.000 0.635 92 A CB -0.839 18.208 19.000 0.079 0.000 0.810 92 A HN 0.483 8.455 8.150 0.040 0.202 0.446 93 T N 1.590 116.161 114.554 0.028 0.000 2.942 93 T HA -0.169 nan 4.350 nan 0.000 0.265 93 T C 2.244 176.956 174.700 0.019 0.000 1.062 93 T CA 4.258 66.370 62.100 0.020 0.000 1.139 93 T CB -0.264 68.612 68.868 0.013 0.000 0.883 93 T HN -0.147 7.986 8.240 0.024 0.121 0.468 94 V N 2.744 122.668 119.914 0.018 0.000 2.379 94 V HA -0.273 nan 4.120 nan 0.000 0.245 94 V C 1.636 177.739 176.094 0.016 0.000 1.044 94 V CA 4.390 66.698 62.300 0.014 0.000 1.036 94 V CB -0.885 30.945 31.823 0.012 0.000 0.664 94 V HN 0.014 8.124 8.190 0.020 0.092 0.453 95 L N -1.866 119.370 121.223 0.021 0.000 2.072 95 L HA -0.337 nan 4.340 nan 0.000 0.205 95 L C 1.837 178.721 176.870 0.024 0.000 1.079 95 L CA 3.329 58.182 54.840 0.022 0.000 0.752 95 L CB -0.821 41.253 42.059 0.026 0.000 0.906 95 L HN 0.414 8.659 8.230 0.025 0.000 0.436 96 A N -1.796 121.042 122.820 0.030 0.000 1.933 96 A HA -0.397 nan 4.320 nan 0.000 0.218 96 A C 1.796 179.394 177.584 0.023 0.000 1.175 96 A CA 3.234 55.290 52.037 0.031 0.000 0.628 96 A CB -1.026 17.996 19.000 0.037 0.000 0.814 96 A HN 0.069 8.127 8.150 0.034 0.112 0.444 97 Q N -0.749 119.062 119.800 0.019 0.000 2.079 97 Q HA -0.301 nan 4.340 nan 0.000 0.200 97 Q C 2.057 178.065 176.000 0.012 0.000 0.974 97 Q CA 2.988 58.800 55.803 0.015 0.000 0.840 97 Q CB -0.154 28.591 28.738 0.012 0.000 0.898 97 Q HN -0.371 7.826 8.270 0.020 0.085 0.430 98 A N 0.062 122.889 122.820 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 -0.799 18.205 19.000 0.008 0.000 0.822 98 A HN -0.283 7.791 8.150 0.013 0.084 0.443 99 I N -1.501 119.076 120.570 0.012 0.000 2.202 99 I HA -0.566 nan 4.170 nan 0.000 0.242 99 I C 2.028 178.152 176.117 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 38.039 38.000 0.014 0.000 1.058 99 I HN -0.165 8.053 8.210 0.014 0.000 0.410 100 I N -0.648 119.931 120.570 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 -0.500 37.510 38.000 0.017 0.000 1.051 100 I HN -0.155 8.065 8.210 0.016 0.000 0.413 101 T N 2.260 116.820 114.554 0.010 0.000 2.643 101 T HA -0.342 nan 4.350 nan 0.000 0.264 101 T C 2.364 177.068 174.700 0.006 0.000 1.045 101 T CA 4.947 67.052 62.100 0.008 0.000 1.155 101 T CB -0.537 68.335 68.868 0.007 0.000 0.863 101 T HN -0.159 8.088 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 1.567 57.970 56.400 0.005 0.000 0.856 102 E CB -0.569 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 0.021 108.826 108.800 0.007 0.000 2.396 103 G HA2 -0.154 nan 3.960 nan 0.000 0.214 103 G HA3 -0.154 nan 3.960 nan 0.000 0.214 103 G C 1.009 175.914 174.900 0.008 0.000 1.166 103 G CA 1.650 46.755 45.100 0.008 0.000 0.793 103 G HN 0.307 8.475 8.290 0.008 0.126 0.533 104 L N 0.502 121.730 121.223 0.009 0.000 2.141 104 L HA -0.370 nan 4.340 nan 0.000 0.209 104 L C 1.932 178.805 176.870 0.006 0.000 1.094 104 L CA 2.509 57.354 54.840 0.008 0.000 0.763 104 L CB -0.311 41.753 42.059 0.008 0.000 0.908 104 L HN 0.220 8.345 8.230 0.009 0.110 0.437 105 K N -1.650 118.753 120.400 0.005 0.000 2.152 105 K HA -0.363 nan 4.320 nan 0.000 0.206 105 K C 2.196 178.798 176.600 0.003 0.000 1.048 105 K CA 3.199 59.488 56.287 0.004 0.000 0.933 105 K CB -0.390 32.112 32.500 0.003 0.000 0.721 105 K HN -0.596 7.640 8.250 0.005 0.017 0.447 106 A N -1.016 121.806 122.820 0.004 0.000 1.872 106 A HA -0.082 nan 4.320 nan 0.000 0.214 106 A C 2.103 179.689 177.584 0.005 0.000 1.187 106 A CA 2.660 54.699 52.037 0.004 0.000 0.614 106 A CB -0.622 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 -0.754 119.164 119.914 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 3.884 66.189 62.300 0.007 0.000 1.038 107 V CB -1.287 30.541 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 -1.173 121.649 122.820 0.005 0.000 2.015 108 A HA -0.171 nan 4.320 nan 0.000 0.219 108 A C 0.708 178.293 177.584 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 7.991 8.150 0.005 0.004 0.448 109 A N -3.422 119.399 122.820 0.002 0.000 2.238 109 A HA 0.009 nan 4.320 nan 0.000 0.208 109 A C 0.111 177.696 177.584 0.001 0.000 1.177 109 A CA 0.080 52.118 52.037 0.001 0.000 0.804 109 A CB 0.263 19.264 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 -2.978 105.823 108.800 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 -0.012 174.889 174.900 0.003 0.000 0.996 110 G CA -0.257 44.844 45.100 0.002 0.000 0.632 110 G HN -0.287 7.811 8.290 0.003 0.194 0.503 111 M N 1.055 120.657 119.600 0.003 0.000 2.251 111 M HA -0.285 nan 4.480 nan 0.000 0.343 111 M C 0.007 176.310 176.300 0.005 0.000 1.245 111 M CA 0.891 56.193 55.300 0.004 0.000 1.061 111 M CB 0.337 32.939 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 5.279 123.982 118.700 0.005 0.000 2.374 112 N HA -0.034 nan 4.740 nan 0.000 0.269 112 N C -0.914 174.601 175.510 0.008 0.000 1.310 112 N CA -0.264 52.789 53.050 0.006 0.000 0.877 112 N CB 0.433 38.923 38.487 0.005 0.000 1.096 112 N HN 0.104 8.861 8.380 0.004 -0.375 0.484 113 P HA -0.164 nan 4.420 nan 0.000 0.217 113 P C 1.209 178.516 177.300 0.011 0.000 1.150 113 P CA 2.462 65.569 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 -3.768 115.838 119.600 0.011 0.000 2.159 114 M HA -0.258 nan 4.480 nan 0.000 0.263 114 M C 2.319 178.624 176.300 0.008 0.000 1.063 114 M CA 1.553 56.859 55.300 0.010 0.000 1.110 114 M CB -1.617 30.988 32.600 0.009 0.000 1.374 114 M HN -0.288 8.141 8.290 0.010 -0.132 0.411 115 D N 0.509 120.913 120.400 0.007 0.000 2.194 115 D HA -0.077 nan 4.640 nan 0.000 0.204 115 D C 2.687 178.990 176.300 0.005 0.000 0.964 115 D CA 3.000 57.004 54.000 0.005 0.000 0.846 115 D CB -0.148 40.654 40.800 0.005 0.000 0.962 115 D HN -0.454 8.107 8.370 0.007 -0.188 0.490 116 L N -0.331 120.896 121.223 0.006 0.000 2.046 116 L HA -0.382 nan 4.340 nan 0.000 0.208 116 L C 1.734 178.608 176.870 0.006 0.000 1.077 116 L CA 3.239 58.083 54.840 0.006 0.000 0.747 116 L CB -0.128 41.935 42.059 0.007 0.000 0.896 116 L HN 0.385 8.438 8.230 0.007 0.182 0.432 117 K N -1.156 119.249 120.400 0.007 0.000 2.103 117 K HA -0.334 nan 4.320 nan 0.000 0.204 117 K C 2.204 178.807 176.600 0.005 0.000 1.052 117 K CA 3.198 59.490 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 -0.051 8.202 8.250 0.008 0.002 0.443 118 R N -1.197 119.306 120.500 0.005 0.000 2.081 118 R HA -0.294 nan 4.340 nan 0.000 0.235 118 R C 2.586 178.888 176.300 0.002 0.000 1.131 118 R CA 3.293 59.395 56.100 0.003 0.000 0.960 118 R CB -0.089 30.213 30.300 0.004 0.000 0.856 118 R HN -0.270 7.919 8.270 0.006 0.085 0.436 119 G N -1.673 107.128 108.800 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 0.952 175.853 174.900 0.001 0.000 1.165 119 G CA 1.576 46.677 45.100 0.002 0.000 0.784 119 G HN -0.232 8.060 8.290 0.003 0.000 0.535 120 I N 1.195 121.766 120.570 0.002 0.000 2.399 120 I HA -0.517 nan 4.170 nan 0.000 0.254 120 I C 0.799 176.915 176.117 -0.002 0.000 1.146 120 I CA 3.330 64.630 61.300 0.002 0.000 1.412 120 I CB -0.178 37.825 38.000 0.004 0.000 1.076 120 I HN -0.034 8.178 8.210 0.003 0.000 0.432 121 D N -2.596 117.803 120.400 -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 2.543 56.539 54.000 -0.006 0.000 0.860 121 D CB -0.383 40.414 40.800 -0.005 0.000 0.955 121 D HN -0.058 8.100 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 1.745 178.341 176.600 -0.005 0.000 1.049 122 K CA 2.447 58.732 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 -0.641 7.486 8.250 -0.003 0.121 0.438 123 A N -1.862 120.956 122.820 -0.004 0.000 2.131 123 A HA -0.185 nan 4.320 nan 0.000 0.220 123 A C 2.432 180.012 177.584 -0.006 0.000 1.158 123 A CA 2.919 54.954 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 -0.298 7.851 8.150 -0.003 0.000 0.460 124 V N -1.810 118.098 119.914 -0.010 0.000 2.273 124 V HA -0.378 nan 4.120 nan 0.000 0.242 124 V C 2.014 178.097 176.094 -0.018 0.000 1.035 124 V CA 4.608 66.898 62.300 -0.016 0.000 1.013 124 V CB -0.734 31.075 31.823 -0.024 0.000 0.652 124 V HN -0.215 7.924 8.190 -0.010 0.045 0.452 125 T N 2.254 116.798 114.554 -0.017 0.000 2.760 125 T HA -0.384 nan 4.350 nan 0.000 0.269 125 T C 1.940 176.633 174.700 -0.011 0.000 1.047 125 T CA 4.392 66.482 62.100 -0.016 0.000 1.139 125 T CB -0.545 68.315 68.868 -0.012 0.000 0.855 125 T HN -0.515 7.715 8.240 -0.017 0.000 0.471 126 V N 0.343 120.253 119.914 -0.008 0.000 2.302 126 V HA -0.276 nan 4.120 nan 0.000 0.243 126 V C 1.412 177.504 176.094 -0.004 0.000 1.036 126 V CA 3.896 66.194 62.300 -0.004 0.000 1.020 126 V CB -1.027 30.795 31.823 -0.002 0.000 0.657 126 V HN -0.369 7.794 8.190 -0.008 0.022 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 3.487 55.522 52.037 -0.003 0.000 0.638 127 A CB -1.013 17.985 19.000 -0.005 0.000 0.823 127 A HN -0.296 7.743 8.150 -0.006 0.107 0.451 128 V N -2.108 117.800 119.914 -0.010 0.000 2.332 128 V HA -0.536 nan 4.120 nan 0.000 0.248 128 V C 2.144 178.235 176.094 -0.005 0.000 1.055 128 V CA 4.879 67.172 62.300 -0.011 0.000 1.038 128 V CB -0.904 30.906 31.823 -0.021 0.000 0.651 128 V HN 0.367 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 2.667 179.268 176.600 0.002 0.000 0.994 129 E CA 3.086 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 -0.412 7.859 8.360 -0.006 0.086 0.453 130 E N -1.219 118.982 120.200 0.003 0.000 2.015 130 E HA -0.199 nan 4.350 nan 0.000 0.191 130 E C 2.798 179.403 176.600 0.008 0.000 0.991 130 E CA 2.660 59.064 56.400 0.006 0.000 0.802 130 E CB 0.070 29.774 29.700 0.007 0.000 0.759 130 E HN -0.260 8.001 8.360 0.001 0.100 0.447 131 L N -4.512 116.715 121.223 0.007 0.000 2.353 131 L HA -0.206 nan 4.340 nan 0.000 0.220 131 L C 2.090 178.966 176.870 0.010 0.000 1.133 131 L CA 2.965 57.811 54.840 0.010 0.000 0.798 131 L CB -0.914 41.150 42.059 0.009 0.000 0.922 131 L HN 0.205 8.438 8.230 0.005 0.000 0.445 132 K N -1.640 118.765 120.400 0.007 0.000 2.305 132 K HA -0.154 nan 4.320 nan 0.000 0.199 132 K C 1.090 177.696 176.600 0.009 0.000 1.047 132 K CA 1.371 57.663 56.287 0.008 0.000 0.976 132 K CB -0.866 31.637 32.500 0.005 0.000 0.765 132 K HN -0.360 7.846 8.250 0.005 0.047 0.474 133 A N -1.212 121.614 122.820 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 1.761 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 -0.245 7.746 8.150 0.009 0.164 0.449 134 L N -2.700 118.533 121.223 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 0.716 55.568 54.840 0.020 0.000 0.816 134 L CB 0.396 42.468 42.059 0.022 0.000 0.933 134 L HN -0.418 7.734 8.230 0.014 0.087 0.449 135 S N -2.228 113.482 115.700 0.017 0.000 2.572 135 S HA -0.073 nan 4.470 nan 0.000 0.279 135 S C -0.950 173.659 174.600 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 6.993 126.917 119.914 0.017 0.000 2.347 136 V HA 0.389 nan 4.120 nan 0.000 0.280 136 V C -1.090 175.012 176.094 0.014 0.000 1.021 136 V CA -3.659 58.650 62.300 0.016 0.000 0.847 136 V CB 0.615 32.448 31.823 0.017 0.000 0.990 136 V HN -0.048 8.153 8.190 0.017 0.000 0.444 137 P HA 0.038 nan 4.420 nan 0.000 0.273 137 P C -1.539 175.768 177.300 0.011 0.000 1.258 137 P CA 0.076 63.182 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 -1.422 117.884 119.300 0.010 0.000 3.384 138 C HA 0.278 nan 4.460 nan 0.000 0.294 138 C C 0.438 175.433 174.990 0.008 0.000 1.062 138 C CA -1.372 57.651 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 6.190 121.894 115.700 0.007 0.000 2.583 139 S HA 0.073 nan 4.470 nan 0.000 0.203 139 S C -0.554 174.049 174.600 0.004 0.000 0.952 139 S CA 0.141 58.345 58.200 0.005 0.000 0.887 139 S CB 0.253 63.456 63.200 0.005 0.000 0.857 139 S HN -0.031 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 1.260 177.561 176.300 0.002 0.000 1.181 140 D CA 0.785 54.786 54.000 0.003 0.000 0.875 140 D CB 0.507 41.308 40.800 0.003 0.000 1.213 140 D HN -0.177 8.196 8.370 0.004 0.000 0.478 141 S N 3.166 118.866 115.700 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 63.293 63.200 -0.001 0.000 0.861 141 S HN 0.544 8.854 8.310 0.001 0.000 0.456 142 K N -0.093 120.307 120.400 0.000 0.000 2.097 142 K HA -0.248 nan 4.320 nan 0.000 0.206 142 K C 1.490 178.091 176.600 0.002 0.000 1.049 142 K CA 2.648 58.935 56.287 0.001 0.000 0.933 142 K CB -0.921 31.579 32.500 0.001 0.000 0.717 142 K HN -0.010 8.226 8.250 0.001 0.015 0.442 143 A N 0.291 123.113 122.820 0.003 0.000 1.828 143 A HA -0.224 nan 4.320 nan 0.000 0.215 143 A C 1.916 179.502 177.584 0.003 0.000 1.203 143 A CA 2.855 54.895 52.037 0.004 0.000 0.614 143 A CB -0.949 18.054 19.000 0.005 0.000 0.844 143 A HN -0.485 7.810 8.150 0.003 -0.144 0.445 144 I N -1.509 119.062 120.570 0.003 0.000 2.229 144 I HA -0.628 nan 4.170 nan 0.000 0.250 144 I C 2.074 178.190 176.117 -0.001 0.000 1.096 144 I CA 3.614 64.915 61.300 0.001 0.000 1.358 144 I CB -0.337 37.663 38.000 -0.000 0.000 1.047 144 I HN -0.248 7.963 8.210 0.003 0.000 0.422 145 A N -1.472 121.348 122.820 -0.001 0.000 1.854 145 A HA -0.339 nan 4.320 nan 0.000 0.214 145 A C 1.910 179.493 177.584 -0.001 0.000 1.192 145 A CA 3.207 55.242 52.037 -0.003 0.000 0.611 145 A CB -1.053 17.945 19.000 -0.003 0.000 0.832 145 A HN -0.076 7.969 8.150 -0.001 0.104 0.442 146 Q N -0.994 118.807 119.800 0.001 0.000 2.062 146 Q HA -0.369 nan 4.340 nan 0.000 0.209 146 Q C 2.509 178.511 176.000 0.003 0.000 0.996 146 Q CA 3.522 59.327 55.803 0.002 0.000 0.859 146 Q CB -0.107 28.634 28.738 0.004 0.000 0.920 146 Q HN 0.037 8.117 8.270 0.001 0.190 0.415 147 V N -1.984 117.932 119.914 0.004 0.000 2.453 147 V HA -0.301 nan 4.120 nan 0.000 0.247 147 V C 2.010 178.105 176.094 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 30.910 31.823 0.008 0.000 0.672 147 V HN -0.073 8.119 8.190 0.004 0.000 0.457 148 G N -1.270 107.529 108.800 -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 0.842 175.737 174.900 -0.008 0.000 1.186 148 G CA 2.548 47.643 45.100 -0.008 0.000 0.779 148 G HN 0.233 8.335 8.290 -0.002 0.188 0.543 149 T N 1.815 116.365 114.554 -0.006 0.000 2.607 149 T HA -0.427 nan 4.350 nan 0.000 0.267 149 T C 2.510 177.208 174.700 -0.004 0.000 1.049 149 T CA 3.476 65.573 62.100 -0.006 0.000 1.162 149 T CB -0.651 68.215 68.868 -0.004 0.000 0.863 149 T HN -0.194 8.044 8.240 -0.005 0.000 0.424 150 I N 1.353 121.923 120.570 -0.001 0.000 2.113 150 I HA -0.645 nan 4.170 nan 0.000 0.242 150 I C 2.240 178.358 176.117 0.002 0.000 1.064 150 I CA 3.679 64.980 61.300 0.001 0.000 1.320 150 I CB -0.577 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 -0.449 115.252 115.700 0.002 0.000 2.442 151 S HA -0.270 nan 4.470 nan 0.000 0.236 151 S C 0.181 174.780 174.600 -0.000 0.000 1.007 151 S CA 2.427 60.630 58.200 0.004 0.000 0.965 151 S CB -0.149 63.055 63.200 0.006 0.000 0.773 151 S HN -0.435 7.876 8.310 0.002 0.000 0.504 152 A N -1.486 121.331 122.820 -0.005 0.000 2.327 152 A HA 0.132 nan 4.320 nan 0.000 0.228 152 A C -0.970 176.611 177.584 -0.005 0.000 1.275 152 A CA -0.438 51.594 52.037 -0.008 0.000 0.875 152 A CB -0.475 18.518 19.000 -0.012 0.000 0.925 152 A HN -0.416 7.573 8.150 -0.005 0.157 0.493 153 N N -3.152 115.547 118.700 -0.002 0.000 2.741 153 N HA -0.382 nan 4.740 nan 0.000 0.251 153 N C -0.632 174.876 175.510 -0.003 0.000 1.112 153 N CA 1.093 54.142 53.050 -0.001 0.000 0.750 153 N CB -1.116 37.371 38.487 -0.001 0.000 1.119 153 N HN -0.059 8.099 8.380 -0.000 0.221 0.561 154 S N -4.907 110.791 115.700 -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 0.223 8.399 8.310 -0.003 0.132 0.496 155 D N 0.842 121.239 120.400 -0.006 0.000 2.500 155 D HA 0.205 nan 4.640 nan 0.000 0.219 155 D C 0.486 176.782 176.300 -0.007 0.000 1.137 155 D CA -2.253 51.743 54.000 -0.007 0.000 0.946 155 D CB 0.096 40.891 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 3.899 124.096 120.200 -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 -0.743 28.954 29.700 -0.005 0.000 0.741 156 E HN 0.009 8.366 8.360 -0.005 0.000 0.465 157 T N 2.093 116.642 114.554 -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 65.415 62.100 -0.009 0.000 1.179 157 T CB -0.676 68.186 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 1.808 121.714 119.914 -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 3.809 66.098 62.300 -0.018 0.000 1.047 158 V CB -1.254 30.556 31.823 -0.021 0.000 0.649 158 V HN -0.294 8.038 8.190 -0.013 -0.149 0.447 159 G N -2.718 106.074 108.800 -0.014 0.000 2.491 159 G HA2 -0.470 nan 3.960 nan 0.000 0.218 159 G HA3 -0.470 nan 3.960 nan 0.000 0.218 159 G C 0.749 175.642 174.900 -0.012 0.000 1.180 159 G CA 2.393 47.486 45.100 -0.012 0.000 0.774 159 G HN -0.223 8.060 8.290 -0.012 0.000 0.562 160 K N 1.154 121.548 120.400 -0.011 0.000 2.218 160 K HA -0.366 nan 4.320 nan 0.000 0.205 160 K C 2.533 179.126 176.600 -0.012 0.000 1.046 160 K CA 2.665 58.946 56.287 -0.010 0.000 0.933 160 K CB -0.380 32.115 32.500 -0.008 0.000 0.728 160 K HN -0.411 7.837 8.250 -0.010 -0.003 0.454 161 L N -0.824 120.389 121.223 -0.015 0.000 2.068 161 L HA -0.286 nan 4.340 nan 0.000 0.204 161 L C 1.685 178.544 176.870 -0.020 0.000 1.076 161 L CA 2.886 57.715 54.840 -0.018 0.000 0.753 161 L CB 0.116 42.161 42.059 -0.022 0.000 0.910 161 L HN -0.382 7.674 8.230 -0.016 0.165 0.439 162 I N -0.941 119.616 120.570 -0.022 0.000 2.361 162 I HA -0.460 nan 4.170 nan 0.000 0.251 162 I C 2.183 178.291 176.117 -0.015 0.000 1.133 162 I CA 1.704 62.990 61.300 -0.023 0.000 1.413 162 I CB -1.892 36.092 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 -1.146 121.667 122.820 -0.012 0.000 1.968 163 A HA -0.244 nan 4.320 nan 0.000 0.217 163 A C 1.962 179.542 177.584 -0.008 0.000 1.169 163 A CA 3.451 55.483 52.037 -0.008 0.000 0.638 163 A CB -0.736 18.260 19.000 -0.006 0.000 0.812 163 A HN 0.099 8.220 8.150 -0.012 0.021 0.446 164 E N -0.510 119.684 120.200 -0.009 0.000 2.051 164 E HA -0.290 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 2.608 59.003 56.400 -0.008 0.000 0.803 164 E CB -0.166 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 0.101 122.914 122.820 -0.012 0.000 1.849 165 A HA -0.309 nan 4.320 nan 0.000 0.217 165 A C 1.884 179.463 177.584 -0.008 0.000 1.202 165 A CA 3.191 55.220 52.037 -0.012 0.000 0.629 165 A CB -0.781 18.209 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 -2.819 116.776 119.600 -0.008 0.000 2.195 166 M HA -0.422 nan 4.480 nan 0.000 0.260 166 M C 1.571 177.869 176.300 -0.003 0.000 1.066 166 M CA 3.587 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 -0.301 7.983 8.290 -0.010 0.000 0.411 167 D N -1.489 118.908 120.400 -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 2.903 56.901 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 -0.393 120.004 120.400 -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 2.429 58.713 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 -3.208 116.704 119.914 -0.003 0.000 3.187 169 V HA 0.234 nan 4.120 nan 0.000 0.402 169 V C -1.857 174.237 176.094 0.000 0.000 1.457 169 V CA -1.303 60.997 62.300 -0.001 0.000 1.409 169 V CB 0.246 32.069 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 -0.342 108.458 108.800 -0.000 0.000 2.733 170 G HA2 -0.262 nan 3.960 nan 0.000 0.686 170 G HA3 -0.262 nan 3.960 nan 0.000 0.686 170 G C -0.777 174.124 174.900 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 0.393 120.795 120.400 0.004 0.000 2.147 171 K HA -0.257 nan 4.320 nan 0.000 0.205 171 K C 0.285 176.891 176.600 0.009 0.000 1.049 171 K CA 2.320 58.610 56.287 0.006 0.000 0.936 171 K CB 0.051 32.555 32.500 0.006 0.000 0.722 171 K HN 0.317 8.569 8.250 0.003 0.000 0.446 172 E N -2.444 117.761 120.200 0.009 0.000 2.663 172 E HA 0.152 nan 4.350 nan 0.000 0.240 172 E C -0.683 175.924 176.600 0.012 0.000 1.227 172 E CA -1.216 55.191 56.400 0.012 0.000 1.528 172 E CB -1.367 28.340 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 -1.840 173.068 174.900 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 1.838 121.760 119.914 0.012 0.000 2.223 174 V HA 0.275 nan 4.120 nan 0.000 0.249 174 V C -1.089 175.009 176.094 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 8.560 129.133 120.570 0.004 0.000 2.532 175 I HA 0.387 nan 4.170 nan 0.000 0.292 175 I C -0.421 175.692 176.117 -0.007 0.000 1.014 175 I CA -0.101 61.196 61.300 -0.006 0.000 1.340 175 I CB 0.818 38.810 38.000 -0.013 0.000 1.422 175 I HN -0.505 7.711 8.210 0.010 0.000 0.528 176 T N 6.068 120.614 114.554 -0.014 0.000 2.907 176 T HA 0.360 nan 4.350 nan 0.000 0.292 176 T C -1.089 173.596 174.700 -0.026 0.000 1.043 176 T CA -1.033 61.059 62.100 -0.014 0.000 1.003 176 T CB 2.528 71.390 68.868 -0.010 0.000 1.084 176 T HN 0.214 8.445 8.240 -0.016 0.000 0.483 177 V N -0.415 119.483 119.914 -0.027 0.000 2.204 177 V HA 0.504 nan 4.120 nan 0.000 0.264 177 V C -0.933 175.149 176.094 -0.020 0.000 1.106 177 V CA -2.670 59.610 62.300 -0.034 0.000 0.947 177 V CB -1.393 30.396 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 5.100 125.291 120.200 -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 -0.098 56.296 56.400 -0.011 0.000 0.857 178 E CB 1.674 31.369 29.700 -0.009 0.000 1.040 178 E HN 0.043 8.393 8.360 -0.018 0.000 0.408 179 D N 2.761 123.156 120.400 -0.008 0.000 2.362 179 D HA -0.142 nan 4.640 nan 0.000 0.238 179 D C 0.286 176.582 176.300 -0.007 0.000 1.212 179 D CA 0.569 54.565 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 -1.176 107.620 108.800 -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 0.037 45.133 45.100 -0.006 0.000 0.946 180 G HN 0.187 8.473 8.290 -0.007 0.000 0.522 181 T N -4.384 110.168 114.554 -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 69.620 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 1.528 110.325 108.800 -0.004 0.000 3.183 182 G HA2 0.444 nan 3.960 nan 0.000 0.247 182 G HA3 0.444 nan 3.960 nan 0.000 0.247 182 G C -1.269 173.628 174.900 -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 -0.005 0.000 0.604 183 L N -0.478 120.743 121.223 -0.004 0.000 2.046 183 L HA 0.096 nan 4.340 nan 0.000 0.203 183 L C 0.428 177.295 176.870 -0.005 0.000 1.111 183 L CA 1.621 56.459 54.840 -0.004 0.000 0.769 183 L CB -0.159 41.898 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 -1.024 118.773 119.800 -0.005 0.000 2.075 184 Q HA -0.301 nan 4.340 nan 0.000 0.464 184 Q C -0.313 175.683 176.000 -0.006 0.000 0.954 184 Q CA 2.341 58.141 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 8.287 8.270 -0.004 0.000 0.567 185 D N -4.382 116.014 120.400 -0.007 0.000 2.415 185 D HA 0.026 nan 4.640 nan 0.000 0.128 185 D C -1.729 174.566 176.300 -0.008 0.000 0.781 185 D CA -0.085 53.910 54.000 -0.008 0.000 1.249 185 D CB 1.163 41.957 40.800 -0.009 0.000 4.942 185 D HN -0.117 8.250 8.370 -0.006 0.000 0.685 186 E N 2.746 122.941 120.200 -0.009 0.000 2.235 186 E HA 0.480 nan 4.350 nan 0.000 0.265 186 E C -1.746 174.848 176.600 -0.010 0.000 0.940 186 E CA -2.318 54.077 56.400 -0.008 0.000 0.819 186 E CB 2.840 32.535 29.700 -0.007 0.000 1.206 186 E HN 0.397 8.655 8.360 -0.009 0.097 0.409 187 L N 0.914 122.131 121.223 -0.009 0.000 2.526 187 L HA 0.495 nan 4.340 nan 0.000 0.263 187 L C -2.173 174.692 176.870 -0.008 0.000 0.943 187 L CA -0.523 54.311 54.840 -0.010 0.000 0.859 187 L CB 3.025 45.078 42.059 -0.010 0.000 1.313 187 L HN -0.059 8.166 8.230 -0.008 0.000 0.406 188 D N 4.100 124.495 120.400 -0.008 0.000 2.878 188 D HA 0.033 nan 4.640 nan 0.000 0.211 188 D C -2.137 174.159 176.300 -0.006 0.000 1.271 188 D CA -0.666 53.330 54.000 -0.007 0.000 0.845 188 D CB 2.585 43.381 40.800 -0.006 0.000 1.679 188 D HN 0.427 8.791 8.370 -0.009 0.000 0.536 189 V N 2.286 122.196 119.914 -0.006 0.000 2.405 189 V HA 0.170 nan 4.120 nan 0.000 0.264 189 V C -0.638 175.454 176.094 -0.005 0.000 1.048 189 V CA 0.033 62.330 62.300 -0.005 0.000 0.966 189 V CB -0.643 31.177 31.823 -0.004 0.000 1.015 189 V HN 0.095 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 4.705 36.525 31.823 -0.005 0.000 1.023 190 V HN -0.232 7.955 8.190 -0.004 0.000 0.435 191 E N 5.293 125.491 120.200 -0.004 0.000 2.585 191 E HA -0.180 nan 4.350 nan 0.000 0.252 191 E C -0.947 175.654 176.600 0.001 0.000 0.981 191 E CA 1.272 57.670 56.400 -0.003 0.000 0.943 191 E CB 0.342 30.038 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 2.338 111.142 108.800 0.007 0.000 2.495 192 G HA2 0.406 nan 3.960 nan 0.000 0.294 192 G HA3 0.406 nan 3.960 nan 0.000 0.294 192 G C -2.936 171.983 174.900 0.031 0.000 1.397 192 G CA 0.173 45.283 45.100 0.015 0.000 0.790 192 G HN -0.066 8.228 8.290 0.007 0.000 0.486 193 M N -0.478 119.154 119.600 0.053 0.000 2.818 193 M HA 0.152 nan 4.480 nan 0.000 0.207 193 M C -2.102 174.273 176.300 0.125 0.000 1.874 193 M CA 0.332 55.690 55.300 0.096 0.000 1.238 193 M CB 2.699 35.390 32.600 0.151 0.000 1.287 193 M HN 0.152 8.468 8.290 0.043 0.000 0.592 194 Q N -2.976 116.899 119.800 0.125 0.000 3.135 194 Q HA -0.355 nan 4.340 nan 0.000 0.048 194 Q C -1.755 174.366 176.000 0.201 0.000 1.656 194 Q CA 1.042 56.878 55.803 0.055 0.000 0.292 194 Q CB -0.702 28.044 28.738 0.014 0.000 0.586 194 Q HN -0.610 7.787 8.270 0.109 -0.062 0.322 195 F N 1.318 121.262 119.950 -0.010 0.000 2.741 195 F HA 0.400 nan 4.527 nan 0.000 0.313 195 F C -1.636 174.161 175.800 -0.005 0.000 1.153 195 F CA -1.795 56.201 58.000 -0.007 0.000 0.931 195 F CB 2.391 41.389 39.000 -0.004 0.000 1.335 195 F HN 0.271 8.318 8.300 -0.422 0.000 0.460 196 D N 0.575 121.127 120.400 0.253 0.000 2.941 196 D HA -0.114 nan 4.640 nan 0.000 0.236 196 D C -0.992 175.411 176.300 0.172 0.000 1.147 196 D CA 1.270 55.354 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 8.717 8.370 0.294 0.000 0.444 197 R N -0.200 120.374 120.500 0.123 0.000 2.422 197 R HA 0.254 nan 4.340 nan 0.000 0.307 197 R C -0.949 175.368 176.300 0.028 0.000 1.004 197 R CA -2.027 54.163 56.100 0.152 0.000 0.882 197 R CB 1.397 31.929 30.300 0.386 0.000 1.164 197 R HN -0.521 7.645 8.270 -0.063 0.066 0.489 198 G N 1.662 110.501 108.800 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 -0.673 174.373 174.900 0.243 0.000 1.216 198 G CA -0.698 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 -1.591 118.766 120.300 0.095 0.000 2.702 199 Y HA -0.152 nan 4.550 nan 0.000 0.336 199 Y C 0.148 176.241 175.900 0.321 0.000 1.235 199 Y CA -2.249 55.984 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 -0.005 0.114 0.589 200 L N 1.085 122.684 121.223 0.628 0.000 2.191 200 L HA -0.124 nan 4.340 nan 0.000 0.212 200 L C 0.136 176.958 176.870 -0.080 0.000 1.103 200 L CA 1.335 56.347 54.840 0.287 0.000 0.769 200 L CB -0.543 41.699 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 -5.373 110.103 115.700 -0.373 0.000 2.548 201 S HA 0.379 nan 4.470 nan 0.000 0.286 201 S C -1.603 172.497 174.600 -0.834 0.000 1.098 201 S CA -3.204 54.595 58.200 -0.668 0.000 0.930 201 S CB 1.871 64.511 63.200 -0.933 0.000 1.070 201 S HN -0.696 7.588 8.310 0.005 0.029 0.480 202 P HA -0.167 nan 4.420 nan 0.000 0.215 202 P C 0.878 178.027 177.300 -0.252 0.000 1.157 202 P CA 2.053 64.766 63.100 -0.644 0.000 0.863 202 P CB -0.024 31.489 31.700 -0.312 0.000 0.787 203 Y N -4.954 115.166 120.300 -0.300 0.000 2.446 203 Y HA -0.213 nan 4.550 nan 0.000 0.287 203 Y C 1.206 177.088 175.900 -0.030 0.000 1.159 203 Y CA 0.481 58.490 58.100 -0.150 0.000 1.297 203 Y CB -1.355 37.003 38.460 -0.171 0.000 0.974 203 Y HN 0.093 8.230 8.280 -0.239 0.000 0.557 204 F N -1.708 118.226 119.950 -0.026 0.000 2.373 204 F HA -0.235 nan 4.527 nan 0.000 0.300 204 F C 0.898 176.792 175.800 0.157 0.000 1.080 204 F CA 1.202 59.232 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 -0.699 7.297 8.300 -0.160 0.208 0.546 205 I N -0.315 120.477 120.570 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 0.372 61.852 61.300 0.300 0.000 1.393 205 I CB -1.201 36.944 38.000 0.242 0.000 1.394 205 I HN -0.420 7.797 8.210 0.284 0.164 0.541 206 N N 8.968 127.756 118.700 0.146 0.000 0.000 206 N HA 0.044 nan 4.740 nan 0.000 0.000 206 N C -0.671 174.876 175.510 0.063 0.000 0.000 206 N CA 0.417 53.518 53.050 0.085 0.000 0.000 206 N CB 1.190 39.709 38.487 0.054 0.000 0.000 206 N HN 0.091 8.566 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 0.751 109.579 108.800 0.046 0.000 0.000 211 G HA2 0.020 3.980 3.960 -0.000 0.000 0.000 211 G HA3 0.020 3.980 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 -0.786 122.036 122.820 0.004 0.000 2.427 212 A HA 0.511 nan 4.320 nan 0.000 0.298 212 A C -0.254 177.337 177.584 0.011 0.000 1.036 212 A CA -0.486 51.523 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 0.039 0.000 0.412 213 V N -1.578 118.341 119.914 0.009 0.000 3.292 213 V HA 0.138 nan 4.120 nan 0.000 0.372 213 V C -0.859 175.230 176.094 -0.008 0.000 1.249 213 V CA -1.432 60.889 62.300 0.036 0.000 1.378 213 V CB -1.534 30.326 31.823 0.061 0.000 1.245 213 V HN 0.295 8.456 8.190 -0.048 0.000 0.467 214 E N 0.222 120.414 120.200 -0.014 0.000 2.637 214 E HA -0.367 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 -1.542 28.151 29.700 -0.012 0.000 1.049 214 E HN -0.525 7.723 8.360 -0.009 0.106 0.494 215 L N 4.384 125.596 121.223 -0.019 0.000 2.375 215 L HA 0.163 nan 4.340 nan 0.000 0.271 215 L C -0.100 176.768 176.870 -0.003 0.000 1.107 215 L CA -0.748 54.086 54.840 -0.011 0.000 0.806 215 L CB 1.364 43.412 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 1.741 121.943 120.200 0.004 0.000 2.248 216 E HA 0.221 nan 4.350 nan 0.000 0.272 216 E C -0.894 175.720 176.600 0.023 0.000 1.008 216 E CA -0.938 55.469 56.400 0.010 0.000 0.856 216 E CB 1.573 31.278 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 0.033 0.000 4.285 217 S HA -0.320 nan 4.470 nan 0.000 0.181 217 S C -1.829 172.830 174.600 0.099 0.000 0.439 217 S CA 1.028 59.266 58.200 0.063 0.000 1.314 217 S CB -0.874 62.364 63.200 0.063 0.000 1.972 217 S HN -0.157 8.168 8.310 0.025 0.000 0.313 218 P HA 0.550 nan 4.420 nan 0.000 0.332 218 P C -2.056 175.475 177.300 0.384 0.000 1.256 218 P CA -1.463 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 -2.239 117.707 119.950 -0.007 0.000 2.612 219 F HA 0.203 nan 4.527 nan 0.000 0.332 219 F C -1.763 174.037 175.800 0.001 0.000 1.167 219 F CA -1.434 56.566 58.000 -0.001 0.000 0.970 219 F CB 2.679 41.680 39.000 0.001 0.000 1.234 219 F HN -0.104 8.369 8.300 0.287 0.000 0.453 220 I N 3.474 124.102 120.570 0.097 0.000 2.337 220 I HA 0.207 nan 4.170 nan 0.000 0.291 220 I C -1.246 174.913 176.117 0.070 0.000 1.046 220 I CA -1.972 59.372 61.300 0.073 0.000 1.324 220 I CB -0.824 37.202 38.000 0.043 0.000 1.409 220 I HN -0.068 8.043 8.210 0.007 0.104 0.494 221 L N 8.816 130.089 121.223 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 -1.323 53.561 54.840 0.073 0.000 0.804 221 L CB 2.526 44.633 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 5.428 126.678 121.223 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 44.358 42.059 0.024 0.000 1.259 222 L HN -0.015 8.240 8.230 0.042 0.000 0.418 223 A N 2.004 124.846 122.820 0.038 0.000 2.359 223 A HA 0.435 nan 4.320 nan 0.000 0.303 223 A C -2.226 175.377 177.584 0.032 0.000 1.066 223 A CA -1.430 50.628 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 0.313 8.489 8.150 0.043 0.000 0.439 224 D N 2.928 123.344 120.400 0.026 0.000 0.000 224 D HA 0.258 nan 4.640 nan 0.000 0.000 224 D C 0.390 176.708 176.300 0.029 0.000 0.000 224 D CA 0.309 54.325 54.000 0.025 0.000 0.000 224 D CB 1.767 42.578 40.800 0.019 0.000 0.000 224 D HN 0.195 8.580 8.370 0.024 0.000 0.000 225 K N -1.901 nan 120.400 nan 0.000 0.000 225 K HA 0.697 5.017 4.320 -0.000 0.000 0.000 225 K C -0.832 nan 176.600 nan 0.000 0.000 225 K CA -0.051 56.257 56.287 0.034 0.000 0.000 225 K CB 0.076 nan 32.500 nan 0.000 0.000 225 K HN 0.664 nan 8.250 nan 0.000 0.000 226 K N -1.860 nan 120.400 nan 0.000 0.000 226 K HA 1.123 5.443 4.320 -0.000 0.000 0.000 226 K C -0.471 nan 176.600 nan 0.000 0.000 226 K CA 0.453 56.763 56.287 0.038 0.000 0.000 226 K CB -0.686 nan 32.500 nan 0.000 0.000 226 K HN 2.653 nan 8.250 nan 0.000 0.000 227 I N -2.750 nan 120.570 nan 0.000 0.000 227 I HA 0.986 5.156 4.170 -0.000 0.000 0.000 227 I C 0.182 nan 176.117 nan 0.000 0.000 227 I CA 0.607 61.933 61.300 0.044 0.000 0.000 227 I CB 0.225 nan 38.000 nan 0.000 0.000 227 I HN 2.757 nan 8.210 nan 0.000 0.000 228 S N -0.617 nan 115.700 nan 0.000 0.000 228 S HA 1.263 5.733 4.470 -0.000 0.000 0.000 228 S C -0.341 nan 174.600 nan 0.000 0.000 228 S CA 0.589 58.803 58.200 0.024 0.000 0.000 228 S CB -0.052 nan 63.200 nan 0.000 0.000 228 S HN 3.179 nan 8.310 nan 0.000 0.000 229 N N -1.843 nan 118.700 nan 0.000 0.000 229 N HA 1.093 5.833 4.740 -0.000 0.000 0.000 229 N C -0.273 nan 175.510 nan 0.000 0.000 229 N CA 0.463 53.524 53.050 0.019 0.000 0.000 229 N CB -0.437 nan 38.487 nan 0.000 0.000 229 N HN 2.695 nan 8.380 nan 0.000 0.000 230 I N -4.182 nan 120.570 nan 0.000 0.000 230 I HA 1.153 5.323 4.170 -0.000 0.000 0.000 230 I C 0.100 nan 176.117 nan 0.000 0.000 230 I CA 0.693 62.006 61.300 0.021 0.000 0.000 230 I CB 0.285 nan 38.000 nan 0.000 0.000 230 I HN 2.759 nan 8.210 nan 0.000 0.000 231 R N -0.132 nan 120.500 nan 0.000 0.000 231 R HA 1.252 5.592 4.340 -0.000 0.000 0.000 231 R C -0.177 nan 176.300 nan 0.000 0.000 231 R CA 1.205 57.312 56.100 0.013 0.000 0.000 231 R CB -0.745 nan 30.300 nan 0.000 0.000 231 R HN 3.121 nan 8.270 nan 0.000 0.000 232 E N -2.637 nan 120.200 nan 0.000 0.000 232 E HA 1.030 5.380 4.350 -0.000 0.000 0.000 232 E C -0.148 nan 176.600 nan 0.000 0.000 232 E CA 0.402 56.812 56.400 0.016 0.000 0.000 232 E CB -0.392 nan 29.700 nan 0.000 0.000 232 E HN 2.788 nan 8.360 nan 0.000 0.000 233 M N -1.797 nan 119.600 nan 0.000 0.000 233 M HA 1.128 5.608 4.480 -0.000 0.000 0.000 233 M C -0.581 nan 176.300 nan 0.000 0.000 233 M CA 0.578 55.894 55.300 0.026 0.000 0.000 233 M CB -0.626 nan 32.600 nan 0.000 0.000 233 M HN 2.846 nan 8.290 nan 0.000 0.000 234 L N -2.678 nan 121.223 nan 0.000 0.000 234 L HA 1.199 5.539 4.340 -0.000 0.000 0.000 234 L C -1.169 nan 176.870 nan 0.000 0.000 234 L CA -0.035 54.814 54.840 0.015 0.000 0.000 234 L CB -0.717 nan 42.059 nan 0.000 0.000 234 L HN 3.256 nan 8.230 nan 0.000 0.000 235 P HA 1.245 5.665 4.420 -0.000 0.000 0.000 235 P C -1.157 nan 177.300 nan 0.000 0.000 235 P CA 0.514 63.619 63.100 0.009 0.000 0.000 235 P CB 0.342 nan 31.700 nan 0.000 0.000 236 V N -2.995 nan 119.914 nan 0.000 0.000 236 V HA 1.145 5.265 4.120 -0.000 0.000 0.000 236 V C -0.218 nan 176.094 nan 0.000 0.000 236 V CA 0.368 62.679 62.300 0.018 0.000 0.000 236 V CB 0.295 nan 31.823 nan 0.000 0.000 236 V HN 2.717 nan 8.190 nan 0.000 0.000 237 L N -2.126 nan 121.223 nan 0.000 0.000 237 L HA 1.371 5.711 4.340 -0.000 0.000 0.000 237 L C -0.339 nan 176.870 nan 0.000 0.000 237 L CA 0.858 55.692 54.840 -0.010 0.000 0.000 237 L CB 0.229 nan 42.059 nan 0.000 0.000 237 L HN 3.139 nan 8.230 nan 0.000 0.000 238 E N -1.316 nan 120.200 nan 0.000 0.000 238 E HA 1.181 5.531 4.350 -0.000 0.000 0.000 238 E C -0.249 nan 176.600 nan 0.000 0.000 238 E CA 0.346 56.730 56.400 -0.026 0.000 0.000 238 E CB 0.241 nan 29.700 nan 0.000 0.000 238 E HN 3.050 nan 8.360 nan 0.000 0.000 239 A N -1.965 nan 122.820 nan 0.000 0.000 239 A HA 1.220 5.540 4.320 -0.000 0.000 0.000 239 A C -0.711 nan 177.584 nan 0.000 0.000 239 A CA 0.477 52.459 52.037 -0.091 0.000 0.000 239 A CB -0.244 nan 19.000 nan 0.000 0.000 239 A HN 2.571 nan 8.150 nan 0.000 0.000 240 V N -3.081 nan 119.914 nan 0.000 0.000 240 V HA 1.068 5.188 4.120 -0.000 0.000 0.000 240 V C -0.239 nan 176.094 nan 0.000 0.000 240 V CA 0.145 62.317 62.300 -0.214 0.000 0.000 240 V CB 0.406 nan 31.823 nan 0.000 0.000 240 V HN 2.958 nan 8.190 nan 0.000 0.000 241 A N -0.680 nan 122.820 nan 0.000 0.000 241 A HA 1.323 5.643 4.320 -0.000 0.000 0.000 241 A C -0.426 nan 177.584 nan 0.000 0.000 241 A CA 0.862 52.852 52.037 -0.079 0.000 0.000 241 A CB 0.639 nan 19.000 nan 0.000 0.000 241 A HN 3.220 nan 8.150 nan 0.000 0.000 242 K N -1.591 nan 120.400 nan 0.000 0.000 242 K HA 1.115 5.435 4.320 -0.000 0.000 0.000 242 K C -0.362 nan 176.600 nan 0.000 0.000 242 K CA 0.504 56.742 56.287 -0.082 0.000 0.000 242 K CB -0.003 nan 32.500 nan 0.000 0.000 242 K HN 2.852 nan 8.250 nan 0.000 0.000 243 A N -1.658 nan 122.820 nan 0.000 0.000 243 A HA 0.968 5.288 4.320 -0.000 0.000 0.000 243 A C 0.123 nan 177.584 nan 0.000 0.000 243 A CA 0.488 52.483 52.037 -0.069 0.000 0.000 243 A CB 0.227 nan 19.000 nan 0.000 0.000 243 A HN 2.593 nan 8.150 nan 0.000 0.000 244 G N -2.454 nan 108.800 nan 0.000 0.000 244 G HA2 0.931 4.891 3.960 -0.000 0.000 0.000 244 G HA3 0.931 4.891 3.960 -0.000 0.000 0.000 244 G C -0.811 nan 174.900 nan 0.000 0.000 244 G CA 1.055 46.057 45.100 -0.163 0.000 0.000 244 G HN 2.451 nan 8.290 nan 0.000 0.000 245 K N -2.496 nan 120.400 nan 0.000 0.000 245 K HA 1.124 5.444 4.320 -0.000 0.000 0.000 245 K C -2.100 nan 176.600 nan 0.000 0.000 245 K CA 0.656 56.903 56.287 -0.068 0.000 0.000 245 K CB 0.408 nan 32.500 nan 0.000 0.000 245 K HN 2.807 nan 8.250 nan 0.000 0.000 246 P HA 0.968 5.388 4.420 -0.000 0.000 0.000 246 P C -2.375 nan 177.300 nan 0.000 0.000 246 P CA 0.162 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 -0.862 120.354 121.223 -0.012 0.000 0.000 247 L HA 0.436 4.776 4.340 -0.000 0.000 0.000 247 L C -2.566 174.304 176.870 0.001 0.000 0.000 247 L CA 0.472 55.314 54.840 0.004 0.000 0.000 247 L CB 2.155 44.212 42.059 -0.004 0.000 0.000 247 L HN -0.008 8.209 8.230 -0.021 0.000 0.000 248 L N 2.602 123.845 121.223 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 54.641 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 5.514 126.098 120.570 0.023 0.000 2.433 249 I HA 0.607 nan 4.170 nan 0.000 0.292 249 I C -1.631 174.527 176.117 0.068 0.000 1.001 249 I CA -0.682 60.651 61.300 0.055 0.000 1.119 249 I CB 2.478 40.519 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 7.862 128.482 120.570 0.084 0.000 2.560 250 I HA 0.458 nan 4.170 nan 0.000 0.278 250 I C -2.630 173.537 176.117 0.085 0.000 1.089 250 I CA -1.277 60.089 61.300 0.110 0.000 1.086 250 I CB 1.093 39.175 38.000 0.136 0.000 1.202 250 I HN 0.218 8.473 8.210 0.075 0.000 0.471 251 A N 5.933 128.805 122.820 0.088 0.000 2.552 251 A HA 0.740 nan 4.320 nan 0.000 0.288 251 A C -1.948 175.680 177.584 0.072 0.000 1.193 251 A CA -1.761 50.318 52.037 0.069 0.000 0.713 251 A CB 3.348 22.386 19.000 0.064 0.000 1.305 251 A HN 0.044 8.256 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 -0.670 175.968 176.600 0.063 0.000 1.070 252 E CA 0.078 56.515 56.400 0.060 0.000 0.931 252 E CB 0.914 30.645 29.700 0.050 0.000 0.954 252 E HN -0.105 8.287 8.360 0.052 0.000 0.439 253 D N 2.167 122.604 120.400 0.062 0.000 6.521 253 D HA -0.320 nan 4.640 nan 0.000 0.249 253 D C -0.677 175.656 176.300 0.054 0.000 1.546 253 D CA 0.840 54.875 54.000 0.058 0.000 1.189 253 D CB -0.761 40.064 40.800 0.041 0.000 1.515 253 D HN 0.143 8.550 8.370 0.061 0.000 0.872 254 V N 3.151 123.107 119.914 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 0.973 63.313 62.300 0.068 0.000 0.000 254 V CB 0.446 32.327 31.823 0.096 0.000 0.000 254 V HN 0.193 8.429 8.190 0.084 0.005 0.000 255 E N -1.006 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 5.461 4.340 -0.000 0.000 0.000 259 L C -0.103 nan 176.870 nan 0.000 0.000 259 L CA 0.167 55.027 54.840 0.033 0.000 0.000 259 L CB -0.173 nan 42.059 nan 0.000 0.000 259 L HN 3.030 nan 8.230 nan 0.000 0.000 260 A N -1.561 nan 122.820 nan 0.000 0.000 260 A HA 1.311 5.631 4.320 -0.000 0.000 0.000 260 A C 0.003 nan 177.584 nan 0.000 0.000 260 A CA 0.818 52.852 52.037 -0.005 0.000 0.000 260 A CB 0.208 nan 19.000 nan 0.000 0.000 260 A HN 3.543 nan 8.150 nan 0.000 0.000 261 T N -1.951 nan 114.554 nan 0.000 0.000 261 T HA 1.042 5.392 4.350 -0.000 0.000 0.000 261 T C -0.290 nan 174.700 nan 0.000 0.000 261 T CA 0.606 62.674 62.100 -0.053 0.000 0.000 261 T CB -0.167 nan 68.868 nan 0.000 0.000 261 T HN 2.771 nan 8.240 nan 0.000 0.000 262 A N -1.474 nan 122.820 nan 0.000 0.000 262 A HA 1.260 5.580 4.320 -0.000 0.000 0.000 262 A C -0.878 nan 177.584 nan 0.000 0.000 262 A CA 0.350 52.391 52.037 0.007 0.000 0.000 262 A CB -0.262 nan 19.000 nan 0.000 0.000 262 A HN 2.822 nan 8.150 nan 0.000 0.000 263 V N -2.856 nan 119.914 nan 0.000 0.000 263 V HA 1.064 5.184 4.120 -0.000 0.000 0.000 263 V C -0.148 nan 176.094 nan 0.000 0.000 263 V CA 0.105 62.447 62.300 0.071 0.000 0.000 263 V CB 0.389 nan 31.823 nan 0.000 0.000 263 V HN 2.817 nan 8.190 nan 0.000 0.000 264 V N -2.046 nan 119.914 nan 0.000 0.000 264 V HA 1.227 5.347 4.120 -0.000 0.000 0.000 264 V C -0.480 nan 176.094 nan 0.000 0.000 264 V CA 0.435 62.713 62.300 -0.038 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 0.046 0.000 0.000 267 M CB -0.162 nan 32.600 nan 0.000 0.000 267 M HN 3.065 nan 8.290 nan 0.000 0.000 268 R N -0.892 nan 120.500 nan 0.000 0.000 268 R HA 1.016 5.356 4.340 -0.000 0.000 0.000 268 R C 0.356 nan 176.300 nan 0.000 0.000 268 R CA 0.239 56.338 56.100 -0.000 0.000 0.000 268 R CB -0.151 nan 30.300 nan 0.000 0.000 268 R HN 3.106 nan 8.270 nan 0.000 0.000 269 G N -2.041 nan 108.800 nan 0.000 0.000 269 G HA2 0.967 4.927 3.960 -0.000 0.000 0.000 269 G HA3 0.967 4.927 3.960 -0.000 0.000 0.000 269 G C -0.745 nan 174.900 nan 0.000 0.000 269 G CA 0.542 45.641 45.100 -0.001 0.000 0.000 269 G HN 2.513 nan 8.290 nan 0.000 0.000 270 I N -2.661 nan 120.570 nan 0.000 0.000 270 I HA 1.088 5.258 4.170 -0.000 0.000 0.000 270 I C -0.226 nan 176.117 nan 0.000 0.000 270 I CA -0.188 61.113 61.300 0.002 0.000 0.000 270 I CB 0.690 nan 38.000 nan 0.000 0.000 270 I HN 2.640 nan 8.210 nan 0.000 0.000 271 V N -2.023 nan 119.914 nan 0.000 0.000 271 V HA 1.279 5.399 4.120 -0.000 0.000 0.000 271 V C -0.492 nan 176.094 nan 0.000 0.000 271 V CA 0.377 62.673 62.300 -0.006 0.000 0.000 271 V CB 0.550 nan 31.823 nan 0.000 0.000 271 V HN 3.088 nan 8.190 nan 0.000 0.000 272 K N -1.289 nan 120.400 nan 0.000 0.000 272 K HA 1.265 5.585 4.320 -0.000 0.000 0.000 272 K C -0.357 nan 176.600 nan 0.000 0.000 272 K CA 0.538 56.827 56.287 0.003 0.000 0.000 272 K CB 0.261 nan 32.500 nan 0.000 0.000 272 K HN 2.843 nan 8.250 nan 0.000 0.000 273 V N -2.770 nan 119.914 nan 0.000 0.000 273 V HA 0.978 5.098 4.120 -0.000 0.000 0.000 273 V C -0.319 nan 176.094 nan 0.000 0.000 273 V CA 0.181 62.477 62.300 -0.007 0.000 0.000 273 V CB 0.404 nan 31.823 nan 0.000 0.000 273 V HN 2.848 nan 8.190 nan 0.000 0.000 274 A N -0.725 nan 122.820 nan 0.000 0.000 274 A HA 1.319 5.639 4.320 -0.000 0.000 0.000 274 A C -0.433 nan 177.584 nan 0.000 0.000 274 A CA 0.316 52.014 52.037 -0.565 0.000 0.000 274 A CB 0.376 nan 19.000 nan 0.000 0.000 274 A HN 3.197 nan 8.150 nan 0.000 0.000 275 A N -1.438 nan 122.820 nan 0.000 0.000 275 A HA 0.750 5.070 4.320 -0.000 0.000 0.000 275 A C -1.676 nan 177.584 nan 0.000 0.000 275 A CA -0.218 51.721 52.037 -0.163 0.000 0.000 275 A CB 0.758 nan 19.000 nan 0.000 0.000 275 A HN 0.371 nan 8.150 nan 0.000 0.000 276 V N -4.962 115.006 119.914 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 1.818 33.703 31.823 0.104 0.000 0.000 276 V HN 0.714 8.946 8.190 0.070 0.000 0.000 277 K N 0.583 121.099 120.400 0.192 0.000 2.238 277 K HA 0.471 nan 4.320 nan 0.000 0.239 277 K C -0.961 175.746 176.600 0.178 0.000 0.987 277 K CA -1.378 55.008 56.287 0.165 0.000 0.857 277 K CB 3.120 35.706 32.500 0.144 0.000 1.154 277 K HN 0.196 8.573 8.250 0.213 0.000 0.439 278 A N 2.181 125.061 122.820 0.100 0.000 2.425 278 A HA 0.204 nan 4.320 nan 0.000 0.242 278 A C -2.256 175.323 177.584 -0.008 0.000 1.077 278 A CA -1.701 50.346 52.037 0.016 0.000 0.781 278 A CB -0.666 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 -0.350 176.914 177.300 -0.061 0.000 1.261 279 P CA 0.053 63.078 63.100 -0.127 0.000 0.821 279 P CB 1.105 32.579 31.700 -0.376 0.000 1.013 280 G N 2.475 111.284 108.800 0.016 0.000 2.601 280 G HA2 -0.338 nan 3.960 nan 0.000 0.261 280 G HA3 -0.338 nan 3.960 nan 0.000 0.261 280 G C -2.186 172.795 174.900 0.135 0.000 1.289 280 G CA 0.249 45.359 45.100 0.017 0.000 0.920 280 G HN 0.153 8.475 8.290 0.053 0.000 0.571 281 F N -4.382 115.565 119.950 -0.005 0.000 2.831 281 F HA 0.248 nan 4.527 nan 0.000 0.318 281 F C -1.350 174.452 175.800 0.005 0.000 1.174 281 F CA -2.254 55.747 58.000 0.002 0.000 0.918 281 F CB 1.405 40.412 39.000 0.012 0.000 1.364 281 F HN -0.307 7.712 8.300 -0.470 0.000 0.475 282 G N -0.410 108.588 108.800 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 46.250 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 2.141 122.538 120.400 -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 3.141 57.126 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 -0.407 120.020 120.500 -0.121 0.000 2.092 284 R HA -0.324 nan 4.340 nan 0.000 0.226 284 R C 1.550 177.782 176.300 -0.113 0.000 1.140 284 R CA 4.195 60.203 56.100 -0.153 0.000 0.910 284 R CB 0.135 30.273 30.300 -0.269 0.000 0.822 284 R HN -0.313 7.812 8.270 -0.155 0.051 0.433 285 R N -1.835 118.612 120.500 -0.089 0.000 2.154 285 R HA -0.339 nan 4.340 nan 0.000 0.248 285 R C 2.400 178.669 176.300 -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 -0.772 119.608 120.400 -0.033 0.000 1.985 286 K HA -0.304 nan 4.320 nan 0.000 0.210 286 K C 2.332 178.908 176.600 -0.039 0.000 1.047 286 K CA 2.878 59.151 56.287 -0.024 0.000 0.932 286 K CB -0.371 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 -0.941 121.850 122.820 -0.049 0.000 1.865 287 A HA -0.272 nan 4.320 nan 0.000 0.217 287 A C 2.429 179.972 177.584 -0.068 0.000 1.191 287 A CA 2.873 54.878 52.037 -0.053 0.000 0.623 287 A CB -0.738 18.228 19.000 -0.056 0.000 0.826 287 A HN -0.213 7.907 8.150 -0.051 0.000 0.444 288 M N -3.145 116.397 119.600 -0.096 0.000 2.260 288 M HA -0.397 nan 4.480 nan 0.000 0.261 288 M C 2.070 178.298 176.300 -0.120 0.000 1.066 288 M CA 3.862 59.084 55.300 -0.130 0.000 1.082 288 M CB -0.325 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 -2.656 118.513 121.223 -0.089 0.000 2.109 289 L HA -0.315 nan 4.340 nan 0.000 0.207 289 L C 2.119 178.966 176.870 -0.039 0.000 1.086 289 L CA 2.698 57.502 54.840 -0.060 0.000 0.760 289 L CB -0.532 41.506 42.059 -0.035 0.000 0.910 289 L HN -0.539 7.500 8.230 -0.080 0.143 0.437 290 Q N -0.843 118.935 119.800 -0.037 0.000 2.378 290 Q HA -0.243 nan 4.340 nan 0.000 0.205 290 Q C 2.208 178.190 176.000 -0.031 0.000 0.954 290 Q CA 2.777 58.563 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 -0.150 7.990 8.270 -0.043 0.104 0.483 291 D N 1.796 122.171 120.400 -0.042 0.000 2.113 291 D HA -0.162 nan 4.640 nan 0.000 0.206 291 D C 2.214 178.496 176.300 -0.031 0.000 0.979 291 D CA 3.302 57.278 54.000 -0.040 0.000 0.862 291 D CB -0.204 40.563 40.800 -0.055 0.000 1.013 291 D HN 0.031 8.216 8.370 -0.053 0.154 0.455 292 I N 0.211 120.759 120.570 -0.037 0.000 2.229 292 I HA -0.593 nan 4.170 nan 0.000 0.250 292 I C 1.626 177.741 176.117 -0.004 0.000 1.096 292 I CA 3.730 65.025 61.300 -0.008 0.000 1.358 292 I CB -0.429 37.569 38.000 -0.004 0.000 1.047 292 I HN 0.146 8.214 8.210 -0.062 0.104 0.422 293 A N -1.347 121.465 122.820 -0.014 0.000 1.841 293 A HA -0.386 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 3.667 55.695 52.037 -0.015 0.000 0.621 293 A CB -1.023 17.968 19.000 -0.015 0.000 0.835 293 A HN -0.029 7.930 8.150 -0.021 0.178 0.445 294 T N -2.100 112.442 114.554 -0.021 0.000 2.822 294 T HA -0.357 nan 4.350 nan 0.000 0.270 294 T C 1.508 176.195 174.700 -0.022 0.000 1.064 294 T CA 2.947 65.034 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 7.789 8.240 -0.021 0.169 0.483 295 L N 0.405 121.618 121.223 -0.017 0.000 1.973 295 L HA -0.120 nan 4.340 nan 0.000 0.208 295 L C 1.249 178.107 176.870 -0.020 0.000 1.073 295 L CA 2.205 57.038 54.840 -0.012 0.000 0.746 295 L CB -0.281 41.779 42.059 0.003 0.000 0.891 295 L HN -0.023 8.067 8.230 -0.015 0.131 0.433 296 T N -2.779 111.762 114.554 -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 2.159 64.233 62.100 -0.043 0.000 1.064 296 T CB -0.208 68.641 68.868 -0.032 0.000 0.949 296 T HN 0.317 8.443 8.240 -0.013 0.106 0.526 297 G N -1.455 107.309 108.800 -0.061 0.000 2.307 297 G HA2 -0.343 nan 3.960 nan 0.000 0.210 297 G HA3 -0.343 nan 3.960 nan 0.000 0.210 297 G C 0.046 174.912 174.900 -0.057 0.000 1.005 297 G CA -0.022 45.035 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 0.780 109.551 108.800 -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 0.729 175.613 174.900 -0.027 0.000 1.191 298 G CA 1.452 46.534 45.100 -0.031 0.000 0.953 298 G HN -0.271 7.895 8.290 -0.053 0.092 0.557 299 T N -3.925 110.617 114.554 -0.019 0.000 12.380 299 T HA -0.403 nan 4.350 nan 0.000 0.415 299 T C 0.623 175.321 174.700 -0.002 0.000 1.471 299 T CA 1.707 63.800 62.100 -0.012 0.000 2.420 299 T CB -0.829 68.031 68.868 -0.013 0.000 2.818 299 T HN 0.249 8.477 8.240 -0.020 0.000 0.798 300 V N 3.862 123.776 119.914 0.001 0.000 2.924 300 V HA -0.053 nan 4.120 nan 0.000 0.305 300 V C -0.260 175.839 176.094 0.009 0.000 1.073 300 V CA 1.613 63.920 62.300 0.011 0.000 1.098 300 V CB 0.606 32.442 31.823 0.020 0.000 1.000 300 V HN 0.050 8.161 8.190 -0.003 0.077 0.484 301 I N -4.045 116.533 120.570 0.013 0.000 3.331 301 I HA -0.032 nan 4.170 nan 0.000 0.380 301 I C -0.052 176.075 176.117 0.016 0.000 0.924 301 I CA -0.266 61.041 61.300 0.011 0.000 0.991 301 I CB -0.806 37.196 38.000 0.004 0.000 3.277 301 I HN 0.077 8.297 8.210 0.017 0.000 0.916 302 S N 0.976 116.688 115.700 0.020 0.000 0.000 302 S HA -0.329 nan 4.470 nan 0.000 0.000 302 S C 0.833 175.446 174.600 0.021 0.000 0.000 302 S CA 1.580 59.793 58.200 0.023 0.000 0.000 302 S CB 0.339 63.557 63.200 0.029 0.000 0.000 302 S HN -0.031 8.292 8.310 0.022 0.000 0.000 303 E N -1.078 nan 120.200 nan 0.000 0.000 303 E HA 0.691 5.041 4.350 -0.000 0.000 0.000 303 E C -1.135 nan 176.600 nan 0.000 0.000 303 E CA -0.133 56.281 56.400 0.022 0.000 0.000 303 E CB 0.534 nan 29.700 nan 0.000 0.000 303 E HN 0.707 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 5.525 4.350 -0.000 0.000 0.000 308 E C -0.782 nan 176.600 nan 0.000 0.000 308 E CA 0.154 56.562 56.400 0.013 0.000 0.000 308 E CB -0.544 nan 29.700 nan 0.000 0.000 308 E HN 3.066 nan 8.360 nan 0.000 0.000 309 L N -3.435 nan 121.223 nan 0.000 0.000 309 L HA 1.140 5.480 4.340 -0.000 0.000 0.000 309 L C 0.040 nan 176.870 nan 0.000 0.000 309 L CA 0.811 55.660 54.840 0.016 0.000 0.000 309 L CB 0.058 nan 42.059 nan 0.000 0.000 309 L HN 2.716 nan 8.230 nan 0.000 0.000 310 E N -1.642 nan 120.200 nan 0.000 0.000 310 E HA 1.161 5.511 4.350 -0.000 0.000 0.000 310 E C -0.280 nan 176.600 nan 0.000 0.000 310 E CA 0.715 57.129 56.400 0.022 0.000 0.000 310 E CB 0.273 nan 29.700 nan 0.000 0.000 310 E HN 3.021 nan 8.360 nan 0.000 0.000 311 K N -1.807 nan 120.400 nan 0.000 0.000 311 K HA 1.106 5.426 4.320 -0.000 0.000 0.000 311 K C -0.470 nan 176.600 nan 0.000 0.000 311 K CA 0.501 56.801 56.287 0.021 0.000 0.000 311 K CB 0.218 nan 32.500 nan 0.000 0.000 311 K HN 2.515 nan 8.250 nan 0.000 0.000 312 A N -1.770 nan 122.820 nan 0.000 0.000 312 A HA 1.162 5.482 4.320 -0.000 0.000 0.000 312 A C 0.194 nan 177.584 nan 0.000 0.000 312 A CA 1.067 53.113 52.037 0.016 0.000 0.000 312 A CB -0.035 nan 19.000 nan 0.000 0.000 312 A HN 2.895 nan 8.150 nan 0.000 0.000 313 T N -2.681 nan 114.554 nan 0.000 0.000 313 T HA 0.995 5.345 4.350 -0.000 0.000 0.000 313 T C -0.309 nan 174.700 nan 0.000 0.000 313 T CA 0.555 62.668 62.100 0.022 0.000 0.000 313 T CB -0.652 nan 68.868 nan 0.000 0.000 313 T HN 2.731 nan 8.240 nan 0.000 0.000 314 L N -1.210 nan 121.223 nan 0.000 0.000 314 L HA 0.979 5.319 4.340 -0.000 0.000 0.000 314 L C -0.070 nan 176.870 nan 0.000 0.000 314 L CA 0.549 55.408 54.840 0.032 0.000 0.000 314 L CB 0.514 nan 42.059 nan 0.000 0.000 314 L HN 1.357 nan 8.230 nan 0.000 0.000 315 E N -1.647 118.586 120.200 0.054 0.000 0.000 315 E HA 0.024 4.374 4.350 -0.000 0.000 0.000 315 E C -0.420 176.248 176.600 0.113 0.000 0.000 315 E CA 1.201 57.652 56.400 0.085 0.000 0.000 315 E CB 0.387 30.138 29.700 0.084 0.000 0.000 315 E HN 0.944 9.332 8.360 0.047 0.000 0.000 316 D N 0.190 120.641 120.400 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 1.233 55.270 54.000 0.060 0.000 1.052 316 D CB -0.798 40.020 40.800 0.031 0.000 0.319 316 D HN 0.175 8.587 8.370 0.070 0.000 0.258 317 L N -2.850 118.395 121.223 0.037 0.000 5.621 317 L HA -0.448 nan 4.340 nan 0.000 0.281 317 L C -0.884 175.910 176.870 -0.127 0.000 1.106 317 L CA 0.622 55.464 54.840 0.003 0.000 1.259 317 L CB -0.389 41.752 42.059 0.137 0.000 2.049 317 L HN 0.168 8.420 8.230 0.037 0.000 0.852 318 G N -4.982 103.711 108.800 -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 -1.006 173.636 174.900 -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 7.747 8.290 -0.102 0.000 0.483 319 Q N 0.426 120.004 119.800 -0.370 0.000 2.596 319 Q HA 0.010 nan 4.340 nan 0.000 0.190 319 Q C -0.382 175.553 176.000 -0.107 0.000 0.905 319 Q CA -0.427 55.147 55.803 -0.382 0.000 0.846 319 Q CB 1.576 30.104 28.738 -0.351 0.000 1.117 319 Q HN 0.654 8.776 8.270 -0.246 0.000 0.630 320 A N -1.775 121.001 122.820 -0.074 0.000 2.435 320 A HA -0.265 nan 4.320 nan 0.000 0.686 320 A C -0.943 176.643 177.584 0.003 0.000 0.138 320 A CA 0.240 52.263 52.037 -0.024 0.000 0.024 320 A CB -0.173 18.821 19.000 -0.009 0.000 3.974 320 A HN -0.527 7.565 8.150 -0.097 0.000 0.548 321 K N 1.615 122.016 120.400 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 1.937 58.230 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 -2.030 174.261 176.300 -0.015 0.000 1.021 322 R CA -0.895 55.203 56.100 -0.003 0.000 0.889 322 R CB 4.420 34.716 30.300 -0.007 0.000 1.243 322 R HN -0.877 7.393 8.270 -0.001 0.000 0.464 323 V N -0.352 119.546 119.914 -0.026 0.000 2.962 323 V HA 0.481 nan 4.120 nan 0.000 0.313 323 V C -1.277 174.782 176.094 -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 8.374 8.190 -0.021 0.000 0.430 324 V N 1.416 121.279 119.914 -0.086 0.000 3.070 324 V HA 0.216 nan 4.120 nan 0.000 0.355 324 V C -0.289 175.730 176.094 -0.124 0.000 1.400 324 V CA -0.853 61.398 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 0.212 8.337 8.190 -0.109 0.000 0.554 325 I N 1.047 121.526 120.570 -0.152 0.000 3.331 325 I HA -0.296 nan 4.170 nan 0.000 0.305 325 I C -0.765 175.179 176.117 -0.288 0.000 1.229 325 I CA 1.518 62.695 61.300 -0.205 0.000 1.406 325 I CB -0.003 37.904 38.000 -0.155 0.000 1.310 325 I HN -0.292 7.836 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 1.704 39.925 38.487 -0.444 0.000 1.447 326 N HN -0.182 7.975 8.380 -0.371 0.000 0.458 327 K N -0.929 118.994 120.400 -0.794 0.000 2.412 327 K HA -0.119 nan 4.320 nan 0.000 0.281 327 K C -0.720 175.804 176.600 -0.127 0.000 1.027 327 K CA 1.525 57.699 56.287 -0.190 0.000 0.989 327 K CB -0.391 32.168 32.500 0.098 0.000 0.935 327 K HN 0.372 8.056 8.250 -0.943 0.000 0.475 328 D N -2.348 118.021 120.400 -0.052 0.000 2.074 328 D HA -0.241 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 2.004 55.984 54.000 -0.033 0.000 1.539 328 D CB -0.732 40.042 40.800 -0.043 0.000 1.415 328 D HN 0.688 9.113 8.370 -0.005 -0.058 0.630 329 T N -3.817 110.665 114.554 -0.120 0.000 2.742 329 T HA 0.429 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 -1.519 60.486 62.100 -0.159 0.000 1.020 329 T CB 3.986 72.774 68.868 -0.134 0.000 1.317 329 T HN -0.677 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 -2.486 171.930 174.700 -0.473 0.000 0.885 330 T CA 0.420 62.233 62.100 -0.477 0.000 0.987 330 T CB 1.434 69.882 68.868 -0.700 0.000 1.150 330 T HN 0.050 8.090 8.240 -0.335 0.000 0.464 331 T N 5.167 119.564 114.554 -0.261 0.000 2.832 331 T HA 0.446 nan 4.350 nan 0.000 0.313 331 T C -0.104 174.536 174.700 -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 8.274 8.240 -0.216 0.000 0.486 332 I N 7.439 127.973 120.570 -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 0.393 61.687 61.300 -0.011 0.000 1.317 332 I CB -0.373 37.653 38.000 0.044 0.000 1.431 332 I HN 0.465 8.712 8.210 -0.058 -0.072 0.521 333 I N 8.084 128.646 120.570 -0.013 0.000 2.439 333 I HA -0.251 nan 4.170 nan 0.000 0.251 333 I C -0.523 175.591 176.117 -0.005 0.000 1.139 333 I CA 2.543 63.837 61.300 -0.010 0.000 1.438 333 I CB 0.424 38.416 38.000 -0.014 0.000 1.085 333 I HN -0.005 8.193 8.210 -0.020 0.000 0.427 334 D N -1.168 119.229 120.400 -0.005 0.000 2.365 334 D HA 0.095 nan 4.640 nan 0.000 0.235 334 D C -0.206 176.088 176.300 -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 42.948 40.800 -0.007 0.000 1.364 334 D HN -0.620 7.747 8.370 -0.005 0.000 0.577 335 G N 2.963 111.757 108.800 -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 -0.242 174.642 174.900 -0.027 0.000 1.219 335 G CA -0.105 44.985 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 0.500 176.569 176.094 -0.042 0.000 1.561 336 V CA -0.493 61.780 62.300 -0.045 0.000 1.056 336 V CB 0.795 32.576 31.823 -0.070 0.000 0.882 336 V HN -0.473 7.693 8.190 -0.040 0.000 0.440 337 G N 1.409 110.186 108.800 -0.037 0.000 2.365 337 G HA2 -0.103 nan 3.960 nan 0.000 0.249 337 G HA3 -0.103 nan 3.960 nan 0.000 0.249 337 G C -0.644 174.241 174.900 -0.025 0.000 1.288 337 G CA -0.086 44.994 45.100 -0.033 0.000 0.887 337 G HN -0.474 7.796 8.290 -0.034 0.000 0.524 338 E N 4.470 124.656 120.200 -0.023 0.000 2.734 338 E HA -0.338 nan 4.350 nan 0.000 0.235 338 E C 0.789 177.379 176.600 -0.015 0.000 1.107 338 E CA 0.469 56.858 56.400 -0.018 0.000 0.951 338 E CB -0.512 29.178 29.700 -0.016 0.000 0.955 338 E HN 0.047 8.392 8.360 -0.026 0.000 0.515 339 E N 7.514 127.705 120.200 -0.014 0.000 2.240 339 E HA -0.550 nan 4.350 nan 0.000 0.236 339 E C 1.479 178.073 176.600 -0.011 0.000 1.085 339 E CA 3.654 60.047 56.400 -0.012 0.000 0.979 339 E CB 0.082 29.776 29.700 -0.010 0.000 0.845 339 E HN 0.081 8.433 8.360 -0.014 0.000 0.483 340 A N -2.146 120.668 122.820 -0.010 0.000 1.927 340 A HA -0.265 nan 4.320 nan 0.000 0.220 340 A C 2.082 179.660 177.584 -0.011 0.000 1.185 340 A CA 2.813 54.844 52.037 -0.010 0.000 0.639 340 A CB -1.055 17.940 19.000 -0.009 0.000 0.820 340 A HN 0.258 8.402 8.150 -0.010 0.000 0.451 341 A N -1.142 121.671 122.820 -0.012 0.000 1.865 341 A HA -0.297 nan 4.320 nan 0.000 0.217 341 A C 2.142 179.718 177.584 -0.014 0.000 1.191 341 A CA 2.885 54.914 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 0.180 8.226 8.150 -0.012 0.096 0.444 342 I N -2.501 118.060 120.570 -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 3.410 64.702 61.300 -0.014 0.000 1.440 342 I CB -0.353 37.639 38.000 -0.013 0.000 1.087 342 I HN -0.510 7.633 8.210 -0.015 0.059 0.440 343 Q N -0.779 119.015 119.800 -0.011 0.000 2.016 343 Q HA -0.283 nan 4.340 nan 0.000 0.200 343 Q C 2.729 178.722 176.000 -0.011 0.000 0.978 343 Q CA 3.392 59.189 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 8.539 8.270 -0.011 0.190 0.427 344 G N -1.976 106.817 108.800 -0.011 0.000 2.501 344 G HA2 -0.343 nan 3.960 nan 0.000 0.220 344 G HA3 -0.343 nan 3.960 nan 0.000 0.220 344 G C 1.564 176.456 174.900 -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 8.656 8.290 -0.011 0.000 0.559 345 R N 1.067 121.559 120.500 -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 1.582 57.672 56.100 -0.016 0.000 0.945 345 R CB -1.325 28.964 30.300 -0.018 0.000 0.841 345 R HN -0.542 7.553 8.270 -0.013 0.167 0.429 346 V N -0.027 119.878 119.914 -0.016 0.000 2.231 346 V HA -0.380 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 66.128 62.300 -0.016 0.000 1.022 346 V CB -0.994 30.821 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 -2.514 120.299 122.820 -0.013 0.000 1.917 347 A HA -0.490 nan 4.320 nan 0.000 0.219 347 A C 1.703 179.280 177.584 -0.011 0.000 1.182 347 A CA 3.475 55.505 52.037 -0.011 0.000 0.633 347 A CB -0.909 18.085 19.000 -0.009 0.000 0.819 347 A HN -0.019 8.124 8.150 -0.012 0.000 0.448 348 Q N -0.561 119.232 119.800 -0.012 0.000 2.061 348 Q HA -0.305 nan 4.340 nan 0.000 0.204 348 Q C 2.474 178.466 176.000 -0.014 0.000 0.984 348 Q CA 3.051 58.846 55.803 -0.012 0.000 0.846 348 Q CB -0.380 28.350 28.738 -0.013 0.000 0.902 348 Q HN -0.577 7.596 8.270 -0.013 0.090 0.421 349 I N 0.062 120.622 120.570 -0.017 0.000 2.252 349 I HA -0.520 nan 4.170 nan 0.000 0.245 349 I C 1.890 177.996 176.117 -0.017 0.000 1.102 349 I CA 3.749 65.037 61.300 -0.020 0.000 1.385 349 I CB -0.398 37.587 38.000 -0.025 0.000 1.064 349 I HN -0.268 7.849 8.210 -0.017 0.082 0.414 350 R N -0.648 119.842 120.500 -0.016 0.000 2.094 350 R HA -0.489 nan 4.340 nan 0.000 0.239 350 R C 2.655 178.948 176.300 -0.010 0.000 1.137 350 R CA 4.239 60.331 56.100 -0.013 0.000 0.943 350 R CB -0.360 29.933 30.300 -0.012 0.000 0.850 350 R HN 0.201 8.280 8.270 -0.016 0.182 0.433 351 Q N -1.549 118.246 119.800 -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 -0.281 28.453 28.738 -0.007 0.000 0.904 351 Q HN 0.244 8.402 8.270 -0.010 0.105 0.420 352 Q N -0.353 119.442 119.800 -0.009 0.000 2.156 352 Q HA -0.399 nan 4.340 nan 0.000 0.211 352 Q C 2.918 178.914 176.000 -0.006 0.000 0.995 352 Q CA 3.013 58.811 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 0.027 8.132 8.270 -0.010 0.159 0.416 353 I N -1.150 119.416 120.570 -0.008 0.000 2.194 353 I HA -0.531 nan 4.170 nan 0.000 0.246 353 I C 2.327 178.443 176.117 -0.001 0.000 1.093 353 I CA 3.461 64.757 61.300 -0.005 0.000 1.355 353 I CB -0.587 37.407 38.000 -0.009 0.000 1.046 353 I HN 0.272 8.468 8.210 -0.011 0.008 0.413 354 E N 1.070 121.268 120.200 -0.002 0.000 2.130 354 E HA -0.278 nan 4.350 nan 0.000 0.196 354 E C 0.904 177.504 176.600 0.001 0.000 0.998 354 E CA 2.904 59.304 56.400 -0.001 0.000 0.806 354 E CB -0.045 29.654 29.700 -0.002 0.000 0.738 354 E HN 0.279 8.527 8.360 -0.004 0.109 0.459 355 E N -4.000 116.200 120.200 0.000 0.000 2.444 355 E HA 0.065 nan 4.350 nan 0.000 0.191 355 E C -0.168 176.434 176.600 0.004 0.000 1.041 355 E CA -1.233 55.168 56.400 0.002 0.000 0.883 355 E CB -0.386 29.314 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 0.957 123.781 122.820 0.006 0.000 2.728 356 A HA 0.068 nan 4.320 nan 0.000 0.258 356 A C -0.444 177.150 177.584 0.017 0.000 1.454 356 A CA -0.432 51.612 52.037 0.012 0.000 1.146 356 A CB -1.768 17.239 19.000 0.012 0.000 0.985 356 A HN -0.026 7.880 8.150 0.004 0.247 0.603 357 T N -3.233 111.328 114.554 0.012 0.000 12.844 357 T HA -0.496 nan 4.350 nan 0.000 0.417 357 T C 0.429 175.137 174.700 0.015 0.000 1.443 357 T CA 2.397 64.504 62.100 0.012 0.000 2.363 357 T CB -1.136 67.738 68.868 0.011 0.000 2.817 357 T HN 0.054 8.182 8.240 0.009 0.117 0.709 358 S N 1.464 117.177 115.700 0.021 0.000 3.930 358 S HA 0.118 nan 4.470 nan 0.000 0.291 358 S C -2.288 172.338 174.600 0.045 0.000 1.078 358 S CA -0.770 57.446 58.200 0.026 0.000 1.259 358 S CB 1.579 64.789 63.200 0.016 0.000 1.724 358 S HN -0.438 7.888 8.310 0.026 0.000 0.513 359 D N 2.519 122.943 120.400 0.040 0.000 7.686 359 D HA -0.275 nan 4.640 nan 0.000 0.091 359 D C 0.469 176.858 176.300 0.148 0.000 1.019 359 D CA 1.388 55.419 54.000 0.051 0.000 0.815 359 D CB -0.329 40.464 40.800 -0.011 0.000 1.611 359 D HN 0.155 8.541 8.370 0.025 0.000 0.915 360 Y N 3.610 123.905 120.300 -0.009 0.000 3.298 360 Y HA -0.654 nan 4.550 nan 0.000 0.479 360 Y C -0.357 175.531 175.900 -0.019 0.000 0.905 360 Y CA 1.996 60.089 58.100 -0.013 0.000 2.986 360 Y CB -1.172 37.282 38.460 -0.011 0.000 0.768 360 Y HN 0.181 8.567 8.280 0.178 0.000 0.564 361 D N -1.660 118.994 120.400 0.424 0.000 2.411 361 D HA -0.351 nan 4.640 nan 0.000 0.226 361 D C 1.884 178.184 176.300 0.000 0.000 0.988 361 D CA 2.433 56.534 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 0.466 8.995 8.370 0.382 0.070 0.525 362 R N -0.351 120.150 120.500 0.001 0.000 2.173 362 R HA -0.114 nan 4.340 nan 0.000 0.208 362 R C 1.436 177.691 176.300 -0.074 0.000 1.035 362 R CA 1.691 57.776 56.100 -0.026 0.000 1.004 362 R CB -0.195 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 -0.396 119.728 120.200 -0.127 0.000 2.012 363 E HA -0.328 nan 4.350 nan 0.000 0.197 363 E C 2.123 178.608 176.600 -0.192 0.000 1.007 363 E CA 3.085 59.378 56.400 -0.178 0.000 0.816 363 E CB -0.678 28.853 29.700 -0.281 0.000 0.762 363 E HN 0.266 8.418 8.360 -0.112 0.141 0.451 364 K N -1.953 118.286 120.400 -0.268 0.000 2.147 364 K HA -0.239 nan 4.320 nan 0.000 0.205 364 K C 2.413 178.938 176.600 -0.125 0.000 1.049 364 K CA 2.774 58.939 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 -3.334 117.828 121.223 -0.102 0.000 2.610 365 L HA -0.190 nan 4.340 nan 0.000 0.232 365 L C 0.218 177.056 176.870 -0.055 0.000 1.149 365 L CA 1.187 55.988 54.840 -0.065 0.000 0.872 365 L CB -0.574 41.459 42.059 -0.044 0.000 0.992 365 L HN -0.529 7.515 8.230 -0.114 0.118 0.447 366 Q N -3.283 116.479 119.800 -0.064 0.000 2.423 366 Q HA -0.026 nan 4.340 nan 0.000 0.231 366 Q C 1.739 177.710 176.000 -0.050 0.000 0.894 366 Q CA 1.417 57.191 55.803 -0.048 0.000 0.938 366 Q CB 1.320 30.031 28.738 -0.044 0.000 1.079 366 Q HN -0.055 7.964 8.270 -0.083 0.201 0.552 367 E N 1.212 121.372 120.200 -0.067 0.000 2.158 367 E HA -0.234 nan 4.350 nan 0.000 0.191 367 E C 1.938 178.505 176.600 -0.055 0.000 0.982 367 E CA 2.499 58.862 56.400 -0.061 0.000 0.823 367 E CB 0.166 29.816 29.700 -0.083 0.000 0.766 367 E HN 0.359 8.478 8.360 -0.086 0.189 0.468 368 R N -1.715 118.746 120.500 -0.065 0.000 2.297 368 R HA -0.006 nan 4.340 nan 0.000 0.197 368 R C 1.682 177.956 176.300 -0.045 0.000 0.943 368 R CA 1.654 57.718 56.100 -0.061 0.000 1.038 368 R CB 0.526 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 -6.358 113.533 119.914 -0.038 0.000 2.992 369 V HA 0.251 nan 4.120 nan 0.000 0.250 369 V C 0.874 176.956 176.094 -0.020 0.000 1.090 369 V CA 1.344 63.627 62.300 -0.028 0.000 1.101 369 V CB -0.383 31.425 31.823 -0.026 0.000 0.743 369 V HN -0.756 7.362 8.190 -0.041 0.047 0.468 370 A N 0.378 123.186 122.820 -0.020 0.000 2.019 370 A HA -0.251 nan 4.320 nan 0.000 0.219 370 A C 0.888 178.470 177.584 -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 -4.034 116.364 120.400 -0.004 0.000 2.098 371 K HA -0.128 nan 4.320 nan 0.000 0.203 371 K C 2.185 178.790 176.600 0.009 0.000 1.051 371 K CA 2.343 58.636 56.287 0.011 0.000 0.957 371 K CB -0.073 32.436 32.500 0.015 0.000 0.738 371 K HN -0.305 7.894 8.250 -0.013 0.043 0.447 372 L N -0.616 120.605 121.223 -0.003 0.000 2.007 372 L HA -0.137 nan 4.340 nan 0.000 0.205 372 L C 1.421 178.289 176.870 -0.004 0.000 1.073 372 L CA 2.228 57.065 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 -0.592 7.631 8.230 -0.010 0.000 0.435 373 A N -2.545 120.271 122.820 -0.007 0.000 3.091 373 A HA -0.018 nan 4.320 nan 0.000 0.264 373 A C -0.730 176.851 177.584 -0.004 0.000 1.673 373 A CA 0.357 52.390 52.037 -0.007 0.000 1.362 373 A CB -1.932 17.063 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 -0.808 107.991 108.800 -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 -0.451 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 -0.423 nan 3.960 nan 0.000 0.279 375 G HA3 -0.423 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 0.003 45.105 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 0.404 nan 4.120 nan 0.000 0.313 376 V C -0.592 175.501 176.094 -0.001 0.000 1.069 376 V CA -1.044 61.257 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 0.187 8.378 8.190 0.003 0.000 0.461 377 A N 2.378 125.196 122.820 -0.003 0.000 2.646 377 A HA 0.439 nan 4.320 nan 0.000 0.312 377 A C -1.891 175.688 177.584 -0.009 0.000 1.245 377 A CA -1.011 51.022 52.037 -0.006 0.000 0.755 377 A CB 1.196 20.192 19.000 -0.006 0.000 1.132 377 A HN 0.092 8.241 8.150 -0.003 0.000 0.458 378 V N 5.307 125.215 119.914 -0.009 0.000 2.488 378 V HA 0.293 nan 4.120 nan 0.000 0.277 378 V C -1.054 175.032 176.094 -0.013 0.000 1.046 378 V CA 0.247 62.541 62.300 -0.011 0.000 0.986 378 V CB 0.709 32.527 31.823 -0.009 0.000 0.989 378 V HN 0.333 8.518 8.190 -0.008 0.000 0.475 379 I N 9.147 129.707 120.570 -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 -0.781 60.508 61.300 -0.019 0.000 1.227 379 I CB 1.623 39.607 38.000 -0.027 0.000 1.366 379 I HN 0.588 8.680 8.210 -0.019 0.106 0.466 380 K N 7.507 127.898 120.400 -0.015 0.000 2.419 380 K HA 0.414 nan 4.320 nan 0.000 0.244 380 K C -0.437 176.156 176.600 -0.013 0.000 1.045 380 K CA -1.670 54.609 56.287 -0.013 0.000 1.004 380 K CB -0.857 31.638 32.500 -0.010 0.000 1.376 380 K HN 0.786 8.925 8.250 -0.014 0.103 0.460 381 V N 0.953 120.858 119.914 -0.015 0.000 3.209 381 V HA 0.004 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 -0.154 62.137 62.300 -0.015 0.000 1.235 381 V CB 0.021 31.834 31.823 -0.017 0.000 0.987 381 V HN -0.558 7.622 8.190 -0.017 0.000 0.499 382 G N -1.705 107.089 108.800 -0.011 0.000 2.690 382 G HA2 0.408 nan 3.960 nan 0.000 0.293 382 G HA3 0.408 nan 3.960 nan 0.000 0.293 382 G C -2.880 172.015 174.900 -0.008 0.000 1.399 382 G CA -0.886 44.209 45.100 -0.008 0.000 0.890 382 G HN -0.439 7.931 8.290 -0.012 -0.087 0.485 383 A N -0.815 122.001 122.820 -0.006 0.000 4.989 383 A HA 0.197 nan 4.320 nan 0.000 0.238 383 A C -1.742 175.840 177.584 -0.005 0.000 0.962 383 A CA 0.472 52.506 52.037 -0.005 0.000 0.608 383 A CB 0.705 19.701 19.000 -0.005 0.000 1.893 383 A HN -0.421 7.726 8.150 -0.006 0.000 0.923 384 A N -1.588 121.230 122.820 -0.004 0.000 2.016 384 A HA 0.113 nan 4.320 nan 0.000 0.202 384 A C 0.002 177.585 177.584 -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 0.207 114.759 114.554 -0.003 0.000 2.909 385 T HA 0.140 nan 4.350 nan 0.000 0.289 385 T C 0.815 175.513 174.700 -0.003 0.000 1.005 385 T CA -0.369 61.729 62.100 -0.003 0.000 1.084 385 T CB 1.159 70.026 68.868 -0.002 0.000 0.975 385 T HN -0.371 7.867 8.240 -0.003 0.000 0.509 386 E N 3.197 123.395 120.200 -0.003 0.000 2.110 386 E HA -0.355 nan 4.350 nan 0.000 0.193 386 E C 1.634 178.233 176.600 -0.002 0.000 0.988 386 E CA 3.130 59.529 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 -0.003 0.000 0.458 387 V N 0.337 120.249 119.914 -0.002 0.000 2.214 387 V HA -0.325 nan 4.120 nan 0.000 0.247 387 V C 2.162 178.255 176.094 -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 31.165 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 -1.276 118.922 120.200 -0.002 0.000 2.171 388 E HA -0.335 nan 4.350 nan 0.000 0.197 388 E C 2.356 178.954 176.600 -0.004 0.000 0.997 388 E CA 2.930 59.329 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 -0.473 119.125 119.600 -0.004 0.000 2.229 389 M HA -0.234 nan 4.480 nan 0.000 0.264 389 M C 1.820 178.117 176.300 -0.005 0.000 1.063 389 M CA 2.724 58.021 55.300 -0.005 0.000 1.114 389 M CB -0.165 32.432 32.600 -0.004 0.000 1.387 389 M HN 0.267 8.307 8.290 -0.003 0.248 0.420 390 K N -0.280 120.119 120.400 -0.003 0.000 2.116 390 K HA -0.247 nan 4.320 nan 0.000 0.203 390 K C 2.215 178.814 176.600 -0.002 0.000 1.052 390 K CA 2.606 58.892 56.287 -0.002 0.000 0.952 390 K CB -0.587 31.913 32.500 -0.000 0.000 0.729 390 K HN 0.298 8.400 8.250 -0.002 0.146 0.446 391 E N -0.709 119.490 120.200 -0.002 0.000 2.106 391 E HA -0.314 nan 4.350 nan 0.000 0.192 391 E C 2.336 178.934 176.600 -0.004 0.000 0.984 391 E CA 3.325 59.724 56.400 -0.002 0.000 0.806 391 E CB -0.419 29.280 29.700 -0.001 0.000 0.750 391 E HN -0.517 7.842 8.360 -0.002 0.000 0.458 392 K N -0.224 120.172 120.400 -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 3.304 59.585 56.287 -0.011 0.000 0.929 392 K CB -0.080 32.414 32.500 -0.011 0.000 0.713 392 K HN -0.688 7.544 8.250 -0.006 0.015 0.439 393 K N -1.087 119.306 120.400 -0.013 0.000 2.044 393 K HA -0.354 nan 4.320 nan 0.000 0.210 393 K C 2.036 178.626 176.600 -0.016 0.000 1.049 393 K CA 3.122 59.399 56.287 -0.015 0.000 0.927 393 K CB -0.183 32.312 32.500 -0.009 0.000 0.713 393 K HN -0.762 7.482 8.250 -0.010 0.000 0.443 394 A N -1.925 120.891 122.820 -0.007 0.000 1.865 394 A HA -0.336 nan 4.320 nan 0.000 0.217 394 A C 2.388 179.968 177.584 -0.006 0.000 1.191 394 A CA 3.191 55.228 52.037 0.001 0.000 0.623 394 A CB -0.818 18.185 19.000 0.005 0.000 0.826 394 A HN -0.271 7.877 8.150 -0.005 -0.001 0.444 395 R N -2.129 118.365 120.500 -0.010 0.000 2.083 395 R HA -0.409 nan 4.340 nan 0.000 0.237 395 R C 2.374 178.655 176.300 -0.032 0.000 1.137 395 R CA 3.369 59.460 56.100 -0.014 0.000 0.951 395 R CB -0.275 30.018 30.300 -0.012 0.000 0.851 395 R HN -0.056 8.033 8.270 -0.008 0.176 0.434 396 V N 0.021 119.910 119.914 -0.043 0.000 2.223 396 V HA -0.459 nan 4.120 nan 0.000 0.244 396 V C 1.680 177.700 176.094 -0.124 0.000 1.045 396 V CA 4.532 66.792 62.300 -0.068 0.000 1.000 396 V CB -0.923 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 -1.195 118.929 120.200 -0.127 0.000 2.197 397 E HA -0.556 nan 4.350 nan 0.000 0.205 397 E C 2.129 178.508 176.600 -0.369 0.000 1.029 397 E CA 3.492 59.762 56.400 -0.217 0.000 0.828 397 E CB -0.302 29.362 29.700 -0.060 0.000 0.737 397 E HN -0.068 8.244 8.360 -0.079 0.000 0.464 398 D N -1.273 119.055 120.400 -0.120 0.000 2.075 398 D HA -0.230 nan 4.640 nan 0.000 0.196 398 D C 2.037 178.301 176.300 -0.059 0.000 0.985 398 D CA 3.097 57.093 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 -0.621 7.692 8.370 -0.070 0.015 0.452 399 A N -0.200 122.578 122.820 -0.068 0.000 1.978 399 A HA -0.234 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 2.816 54.823 52.037 -0.050 0.000 0.636 399 A CB -0.638 18.338 19.000 -0.040 0.000 0.810 399 A HN -0.113 8.000 8.150 -0.062 0.000 0.448 400 L N -2.571 118.549 121.223 -0.173 0.000 2.093 400 L HA -0.423 nan 4.340 nan 0.000 0.208 400 L C 1.286 178.087 176.870 -0.115 0.000 1.085 400 L CA 3.444 58.182 54.840 -0.169 0.000 0.755 400 L CB -0.152 41.759 42.059 -0.246 0.000 0.904 400 L HN 0.420 8.486 8.230 -0.226 0.028 0.435 401 H N -1.130 117.938 119.070 -0.003 0.000 2.293 401 H HA -0.383 nan 4.556 nan 0.000 0.300 401 H C 1.965 177.294 175.328 0.002 0.000 1.082 401 H CA 3.383 59.429 56.048 -0.002 0.000 1.308 401 H CB -0.326 29.433 29.762 -0.004 0.000 1.375 401 H HN -0.348 7.572 8.280 -0.415 0.111 0.495 402 A N -2.233 120.650 122.820 0.105 0.000 1.917 402 A HA -0.421 nan 4.320 nan 0.000 0.219 402 A C 2.009 179.618 177.584 0.041 0.000 1.182 402 A CA 3.351 55.425 52.037 0.061 0.000 0.633 402 A CB -0.923 18.100 19.000 0.039 0.000 0.819 402 A HN -0.396 7.809 8.150 0.091 0.000 0.448 403 T N 1.183 115.751 114.554 0.025 0.000 2.821 403 T HA -0.272 nan 4.350 nan 0.000 0.267 403 T C 2.100 176.814 174.700 0.023 0.000 1.046 403 T CA 4.568 66.677 62.100 0.016 0.000 1.139 403 T CB -0.552 68.317 68.868 0.001 0.000 0.871 403 T HN -0.247 8.002 8.240 0.013 0.000 0.454 404 R N 1.572 122.092 120.500 0.035 0.000 2.148 404 R HA -0.257 nan 4.340 nan 0.000 0.227 404 R C 1.609 177.932 176.300 0.039 0.000 1.103 404 R CA 2.188 58.311 56.100 0.039 0.000 0.983 404 R CB -0.794 29.540 30.300 0.058 0.000 0.874 404 R HN -0.401 7.894 8.270 0.040 0.000 0.451 405 A N -1.172 121.675 122.820 0.045 0.000 1.826 405 A HA -0.119 nan 4.320 nan 0.000 0.214 405 A C 2.098 179.700 177.584 0.031 0.000 1.212 405 A CA 2.572 54.633 52.037 0.039 0.000 0.605 405 A CB -0.735 18.292 19.000 0.044 0.000 0.861 405 A HN -0.449 7.611 8.150 0.053 0.122 0.447 406 A N -1.377 121.460 122.820 0.028 0.000 1.927 406 A HA -0.367 nan 4.320 nan 0.000 0.220 406 A C 2.163 179.759 177.584 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 -0.092 8.077 8.150 0.031 0.000 0.451 407 V N -2.448 117.477 119.914 0.019 0.000 2.380 407 V HA -0.485 nan 4.120 nan 0.000 0.251 407 V C 1.967 178.070 176.094 0.015 0.000 1.063 407 V CA 3.804 66.113 62.300 0.015 0.000 1.055 407 V CB -0.937 30.895 31.823 0.014 0.000 0.657 407 V HN 0.193 8.277 8.190 0.021 0.118 0.455 408 E N -1.301 118.910 120.200 0.018 0.000 2.012 408 E HA -0.144 nan 4.350 nan 0.000 0.192 408 E C 1.726 178.335 176.600 0.015 0.000 0.977 408 E CA 2.144 58.554 56.400 0.017 0.000 0.832 408 E CB 0.146 29.858 29.700 0.019 0.000 0.790 408 E HN -0.324 8.032 8.360 0.021 0.016 0.466 409 E N -1.716 118.494 120.200 0.017 0.000 2.465 409 E HA 0.052 nan 4.350 nan 0.000 0.191 409 E C -0.398 176.210 176.600 0.015 0.000 1.053 409 E CA -0.452 55.957 56.400 0.015 0.000 0.869 409 E CB 0.952 30.661 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 -1.443 107.366 108.800 0.016 0.000 2.568 410 G HA2 -0.369 nan 3.960 nan 0.000 0.222 410 G HA3 -0.369 nan 3.960 nan 0.000 0.222 410 G C -2.661 172.249 174.900 0.017 0.000 1.321 410 G CA -0.318 44.791 45.100 0.015 0.000 0.893 410 G HN -0.134 8.099 8.290 0.016 0.067 0.569 411 V N 0.728 120.652 119.914 0.017 0.000 2.488 411 V HA 0.649 nan 4.120 nan 0.000 0.293 411 V C -0.749 175.357 176.094 0.020 0.000 1.027 411 V CA -1.763 60.549 62.300 0.018 0.000 0.862 411 V CB 1.632 33.466 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 4.276 124.202 119.914 0.020 0.000 2.997 412 V HA 0.707 nan 4.120 nan 0.000 0.311 412 V C -0.981 175.127 176.094 0.023 0.000 1.066 412 V CA -3.569 58.744 62.300 0.021 0.000 1.039 412 V CB 1.884 33.719 31.823 0.020 0.000 1.081 412 V HN -0.095 8.107 8.190 0.020 0.000 0.467 413 A N 0.852 123.688 122.820 0.026 0.000 2.545 413 A HA -0.027 nan 4.320 nan 0.000 0.253 413 A C 0.122 177.719 177.584 0.023 0.000 1.074 413 A CA 0.570 52.623 52.037 0.028 0.000 0.760 413 A CB -0.336 18.684 19.000 0.035 0.000 1.005 413 A HN 0.021 8.312 8.150 0.027 -0.125 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 43.985 45.100 0.019 0.000 1.063 414 G HN -0.414 7.890 8.290 0.022 0.000 0.557 415 G N -1.121 107.690 108.800 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 0.401 45.516 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 -2.907 105.903 108.800 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 0.435 175.337 174.900 0.004 0.000 0.989 416 G CA 0.181 45.287 45.100 0.009 0.000 0.682 416 G HN 0.002 8.231 8.290 0.016 0.071 0.522 417 V N 0.706 120.624 119.914 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 3.082 65.381 62.300 -0.001 0.000 1.045 417 V CB -0.557 31.265 31.823 -0.003 0.000 0.681 417 V HN -0.250 7.795 8.190 0.011 0.153 0.459 418 A N 0.447 123.275 122.820 0.013 0.000 1.859 418 A HA -0.413 nan 4.320 nan 0.000 0.217 418 A C 1.852 179.443 177.584 0.012 0.000 1.198 418 A CA 3.414 55.460 52.037 0.015 0.000 0.629 418 A CB -1.188 17.822 19.000 0.016 0.000 0.830 418 A HN -0.446 7.713 8.150 0.014 0.000 0.446 419 L N -2.669 118.560 121.223 0.009 0.000 2.043 419 L HA -0.348 nan 4.340 nan 0.000 0.212 419 L C 2.195 179.068 176.870 0.005 0.000 1.075 419 L CA 2.819 57.663 54.840 0.007 0.000 0.752 419 L CB -0.172 41.891 42.059 0.007 0.000 0.891 419 L HN -0.207 8.030 8.230 0.010 0.000 0.432 420 I N -4.803 115.768 120.570 0.002 0.000 3.564 420 I HA -0.267 nan 4.170 nan 0.000 0.294 420 I C -0.120 175.999 176.117 0.004 0.000 1.289 420 I CA 0.372 61.672 61.300 -0.000 0.000 1.325 420 I CB -0.138 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 1.200 177.511 176.300 0.019 0.000 1.067 421 R CA 2.267 58.378 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 -6.434 113.489 119.914 0.015 0.000 2.599 422 V HA 0.270 nan 4.120 nan 0.000 0.245 422 V C 1.238 177.338 176.094 0.010 0.000 1.046 422 V CA 2.173 64.481 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 -0.052 8.146 8.190 0.013 0.000 0.464 423 A N 0.533 123.357 122.820 0.008 0.000 2.264 423 A HA -0.126 nan 4.320 nan 0.000 0.207 423 A C 0.534 178.122 177.584 0.007 0.000 1.196 423 A CA 2.317 54.357 52.037 0.006 0.000 0.778 423 A CB -0.916 18.087 19.000 0.004 0.000 0.779 423 A HN -0.179 7.975 8.150 0.007 0.000 0.483 424 S N -4.468 111.238 115.700 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 0.799 59.006 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 1.101 177.706 176.600 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 7.942 8.250 0.013 0.124 0.466 426 L N -2.330 118.897 121.223 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 53.631 54.840 0.005 0.000 0.992 426 L CB -1.113 40.949 42.059 0.004 0.000 1.263 426 L HN -0.562 7.642 8.230 0.008 0.031 0.484 427 A N 0.442 123.266 122.820 0.006 0.000 2.024 427 A HA -0.269 nan 4.320 nan 0.000 0.220 427 A C 0.299 177.886 177.584 0.004 0.000 1.164 427 A CA 2.563 54.603 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 -0.614 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 -0.296 53.706 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 -0.095 121.130 121.223 0.003 0.000 2.296 429 L HA 0.339 nan 4.340 nan 0.000 0.286 429 L C -1.138 175.733 176.870 0.002 0.000 1.023 429 L CA -0.249 54.593 54.840 0.002 0.000 0.812 429 L CB 1.600 43.660 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 4.117 124.618 120.500 0.002 0.000 2.939 430 R HA 0.583 nan 4.340 nan 0.000 0.254 430 R C -1.219 175.082 176.300 0.001 0.000 1.123 430 R CA -2.189 53.912 56.100 0.002 0.000 1.020 430 R CB 3.373 33.674 30.300 0.002 0.000 1.206 430 R HN 0.265 8.536 8.270 0.002 0.000 0.491 431 G N -2.512 106.289 108.800 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 -0.446 174.455 174.900 0.002 0.000 1.343 431 G CA -0.015 45.086 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 2.260 58.064 55.803 0.002 0.000 0.883 432 Q CB 0.352 29.091 28.738 0.002 0.000 0.916 432 Q HN 0.147 8.568 8.270 0.002 -0.151 0.418 433 N N -8.237 110.464 118.700 0.002 0.000 3.449 433 N HA -0.007 nan 4.740 nan 0.000 0.312 433 N C -0.862 174.649 175.510 0.002 0.000 1.582 433 N CA -0.881 52.170 53.050 0.002 0.000 0.850 433 N CB 1.238 39.726 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 -1.108 119.093 120.200 0.002 0.000 2.001 434 E HA -0.341 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 3.489 59.890 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 -0.739 119.662 120.400 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 57.050 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 -2.607 117.195 119.800 0.003 0.000 2.224 436 Q HA -0.285 nan 4.340 nan 0.000 0.203 436 Q C 2.452 178.454 176.000 0.002 0.000 0.970 436 Q CA 2.680 58.485 55.803 0.003 0.000 0.865 436 Q CB -0.059 28.681 28.738 0.002 0.000 0.922 436 Q HN -0.306 8.233 8.270 0.003 -0.268 0.445 437 N N 1.067 119.769 118.700 0.002 0.000 2.207 437 N HA -0.172 nan 4.740 nan 0.000 0.182 437 N C 1.809 177.321 175.510 0.002 0.000 1.020 437 N CA 3.040 56.091 53.050 0.002 0.000 0.858 437 N CB 0.098 38.586 38.487 0.002 0.000 0.991 437 N HN 0.094 8.328 8.380 0.002 0.148 0.427 438 V N -0.735 119.180 119.914 0.002 0.000 3.305 438 V HA -0.097 nan 4.120 nan 0.000 0.269 438 V C 0.587 176.683 176.094 0.003 0.000 1.157 438 V CA 2.235 64.537 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 8.283 8.190 0.002 0.000 0.498 439 G N -0.571 108.231 108.800 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 -0.517 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 1.278 177.396 176.117 0.002 0.000 1.085 440 I CA 3.709 65.010 61.300 0.002 0.000 1.347 440 I CB -0.040 37.961 38.000 0.001 0.000 1.044 440 I HN -0.318 7.708 8.210 0.002 0.185 0.408 441 K N -0.756 119.645 120.400 0.002 0.000 2.280 441 K HA -0.290 nan 4.320 nan 0.000 0.202 441 K C 2.078 178.680 176.600 0.002 0.000 1.047 441 K CA 3.403 59.691 56.287 0.002 0.000 0.942 441 K CB -0.044 32.457 32.500 0.002 0.000 0.739 441 K HN 0.135 8.277 8.250 0.002 0.110 0.457 442 V N -0.137 119.779 119.914 0.003 0.000 2.255 442 V HA -0.331 nan 4.120 nan 0.000 0.243 442 V C 1.712 177.808 176.094 0.003 0.000 1.038 442 V CA 3.474 65.776 62.300 0.003 0.000 1.008 442 V CB -0.561 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 -1.763 121.058 122.820 0.003 0.000 2.024 443 A HA -0.319 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 -0.937 18.064 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 -3.338 117.886 121.223 0.002 0.000 2.023 444 L HA -0.354 nan 4.340 nan 0.000 0.205 444 L C 2.131 179.002 176.870 0.001 0.000 1.073 444 L CA 2.604 57.445 54.840 0.002 0.000 0.745 444 L CB -0.421 41.640 42.059 0.002 0.000 0.900 444 L HN -0.529 7.676 8.230 0.002 0.027 0.435 445 R N -2.972 117.529 120.500 0.001 0.000 2.237 445 R HA -0.225 nan 4.340 nan 0.000 0.219 445 R C 1.723 178.023 176.300 0.000 0.000 1.080 445 R CA 2.540 58.640 56.100 0.000 0.000 0.995 445 R CB -0.743 29.557 30.300 -0.000 0.000 0.875 445 R HN -0.578 7.693 8.270 0.002 0.000 0.462 446 A N -0.191 122.630 122.820 0.002 0.000 1.872 446 A HA -0.074 nan 4.320 nan 0.000 0.214 446 A C 1.621 179.207 177.584 0.004 0.000 1.187 446 A CA 2.234 54.274 52.037 0.004 0.000 0.614 446 A CB -0.258 18.746 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 -3.882 115.720 119.600 0.003 0.000 2.539 447 M HA -0.296 nan 4.480 nan 0.000 0.261 447 M C 0.752 177.052 176.300 0.001 0.000 1.069 447 M CA 2.836 58.138 55.300 0.003 0.000 1.081 447 M CB 0.039 32.641 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 -3.218 116.981 120.200 -0.002 0.000 2.489 448 E HA -0.048 nan 4.350 nan 0.000 0.193 448 E C 0.475 177.070 176.600 -0.009 0.000 1.057 448 E CA 0.446 56.842 56.400 -0.007 0.000 0.866 448 E CB -0.205 29.490 29.700 -0.009 0.000 0.916 448 E HN -0.576 7.622 8.360 -0.001 0.161 0.500 449 A N 0.526 123.343 122.820 -0.004 0.000 1.858 449 A HA -0.097 nan 4.320 nan 0.000 0.216 449 A C -0.850 176.732 177.584 -0.004 0.000 1.190 449 A CA 4.913 56.948 52.037 -0.003 0.000 0.617 449 A CB -2.371 16.630 19.000 0.002 0.000 0.827 449 A HN -0.106 7.861 8.150 -0.001 0.183 0.443 450 P HA -0.259 nan 4.420 nan 0.000 0.213 450 P C 1.148 178.444 177.300 -0.006 0.000 1.170 450 P CA 2.595 65.695 63.100 0.001 0.000 0.902 450 P CB -0.609 31.094 31.700 0.006 0.000 0.789 451 L N -0.747 120.469 121.223 -0.012 0.000 1.956 451 L HA -0.399 nan 4.340 nan 0.000 0.216 451 L C 2.003 178.848 176.870 -0.042 0.000 1.073 451 L CA 3.418 58.243 54.840 -0.025 0.000 0.762 451 L CB -0.267 41.772 42.059 -0.033 0.000 0.889 451 L HN -0.232 7.992 8.230 -0.009 0.000 0.433 452 R N -3.222 117.252 120.500 -0.043 0.000 2.174 452 R HA -0.505 nan 4.340 nan 0.000 0.253 452 R C 2.575 178.852 176.300 -0.039 0.000 1.165 452 R CA 3.301 59.372 56.100 -0.048 0.000 0.984 452 R CB -0.537 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 -0.780 119.005 119.800 -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 2.313 58.106 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 -0.621 7.499 8.270 -0.021 0.138 0.438 454 I N 0.157 120.721 120.570 -0.012 0.000 2.103 454 I HA -0.656 nan 4.170 nan 0.000 0.241 454 I C 2.101 178.215 176.117 -0.006 0.000 1.036 454 I CA 4.333 65.632 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 -1.420 118.468 119.914 -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 3.869 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 -0.296 120.901 121.223 -0.042 0.000 2.046 456 L HA -0.345 nan 4.340 nan 0.000 0.208 456 L C 1.210 178.073 176.870 -0.011 0.000 1.077 456 L CA 3.005 57.828 54.840 -0.027 0.000 0.747 456 L CB -0.380 41.665 42.059 -0.023 0.000 0.896 456 L HN 0.170 8.253 8.230 -0.044 0.120 0.432 457 N N -1.688 117.009 118.700 -0.005 0.000 2.223 457 N HA -0.229 nan 4.740 nan 0.000 0.185 457 N C 2.331 177.846 175.510 0.009 0.000 1.016 457 N CA 3.335 56.387 53.050 0.003 0.000 0.863 457 N CB -0.047 38.444 38.487 0.006 0.000 0.983 457 N HN -0.376 7.999 8.380 -0.007 0.000 0.429 458 C N -3.226 116.083 119.300 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 2.696 61.732 59.018 0.030 0.000 1.738 458 C CB -0.936 26.843 27.740 0.065 0.000 1.987 458 C HN -0.409 7.700 8.230 0.010 0.127 0.492 459 G N -2.214 106.591 108.800 0.007 0.000 2.231 459 G HA2 -0.288 nan 3.960 nan 0.000 0.206 459 G HA3 -0.288 nan 3.960 nan 0.000 0.206 459 G C -0.427 174.473 174.900 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 1.061 121.259 120.200 -0.003 0.000 2.345 460 E HA 0.090 nan 4.350 nan 0.000 0.259 460 E C -0.985 175.590 176.600 -0.042 0.000 1.117 460 E CA -1.258 55.134 56.400 -0.013 0.000 0.913 460 E CB 1.011 30.707 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 -0.204 119.974 120.200 -0.037 0.000 2.299 461 E HA 0.132 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 -1.885 54.491 56.400 -0.040 0.000 0.895 461 E CB -0.579 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 1.023 178.285 177.300 -0.064 0.000 1.151 462 P CA 1.885 64.936 63.100 -0.083 0.000 0.787 462 P CB 0.131 31.795 31.700 -0.061 0.000 0.788 463 S N -2.404 113.272 115.700 -0.041 0.000 2.496 463 S HA -0.056 nan 4.470 nan 0.000 0.224 463 S C 0.973 175.561 174.600 -0.019 0.000 0.996 463 S CA 1.942 60.127 58.200 -0.026 0.000 0.927 463 S CB -0.147 63.044 63.200 -0.016 0.000 0.774 463 S HN 0.142 8.431 8.310 -0.036 0.000 0.524 464 V N 0.353 120.255 119.914 -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 3.075 65.379 62.300 0.007 0.000 1.065 464 V CB 0.091 31.926 31.823 0.020 0.000 0.703 464 V HN -0.666 7.466 8.190 -0.033 0.038 0.464 465 V N -1.032 118.859 119.914 -0.040 0.000 2.346 465 V HA -0.312 nan 4.120 nan 0.000 0.244 465 V C 1.407 177.494 176.094 -0.011 0.000 1.037 465 V CA 4.376 66.647 62.300 -0.048 0.000 1.029 465 V CB -1.050 30.499 31.823 -0.457 0.000 0.663 465 V HN -0.602 7.532 8.190 -0.093 0.000 0.454 466 A N -1.502 121.286 122.820 -0.054 0.000 2.070 466 A HA -0.332 nan 4.320 nan 0.000 0.220 466 A C 1.678 179.255 177.584 -0.011 0.000 1.159 466 A CA 3.221 55.237 52.037 -0.034 0.000 0.656 466 A CB -0.715 18.262 19.000 -0.038 0.000 0.800 466 A HN -0.337 7.765 8.150 -0.080 0.000 0.453 467 N N -3.668 115.030 118.700 -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 2.669 55.720 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 3.697 118.257 114.554 0.009 0.000 2.668 468 T HA -0.226 nan 4.350 nan 0.000 0.258 468 T C 2.225 176.911 174.700 -0.023 0.000 1.051 468 T CA 4.194 66.272 62.100 -0.037 0.000 1.155 468 T CB -0.184 68.587 68.868 -0.162 0.000 0.864 468 T HN -0.547 7.628 8.240 0.034 0.085 0.413 469 V N 1.763 121.668 119.914 -0.015 0.000 2.453 469 V HA -0.441 nan 4.120 nan 0.000 0.252 469 V C 1.637 177.695 176.094 -0.060 0.000 1.068 469 V CA 3.925 66.148 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 0.479 8.719 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 -0.268 nan 4.320 nan 0.000 0.210 470 K C 1.218 177.838 176.600 0.033 0.000 1.047 470 K CA 2.711 59.003 56.287 0.008 0.000 0.932 470 K CB 0.059 32.562 32.500 0.006 0.000 0.716 470 K HN -0.627 7.590 8.250 -0.008 0.028 0.439 471 G N -3.499 105.327 108.800 0.042 0.000 3.458 471 G HA2 0.083 nan 3.960 nan 0.000 0.256 471 G HA3 0.083 nan 3.960 nan 0.000 0.256 471 G C -0.957 174.009 174.900 0.110 0.000 0.938 471 G CA -0.252 44.882 45.100 0.058 0.000 1.890 471 G HN -0.533 7.775 8.290 0.030 0.000 0.639 472 G N 0.392 109.290 108.800 0.164 0.000 3.148 472 G HA2 0.080 nan 3.960 nan 0.000 0.300 472 G HA3 0.080 nan 3.960 nan 0.000 0.300 472 G C -2.170 172.878 174.900 0.247 0.000 2.403 472 G CA -0.253 44.999 45.100 0.253 0.000 0.763 472 G HN -0.712 7.597 8.290 0.130 0.059 0.371 473 D N 2.246 122.721 120.400 0.125 0.000 2.406 473 D HA -0.126 nan 4.640 nan 0.000 0.234 473 D C 0.751 177.120 176.300 0.115 0.000 1.196 473 D CA 1.923 55.982 54.000 0.099 0.000 0.881 473 D CB 0.824 41.657 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 1.252 110.107 108.800 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 -0.799 174.165 174.900 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 8.474 8.290 0.073 0.000 0.528 475 N N -0.240 118.522 118.700 0.103 0.000 2.413 475 N HA -0.025 nan 4.740 nan 0.000 0.207 475 N C -0.717 174.882 175.510 0.147 0.000 1.206 475 N CA -0.076 53.031 53.050 0.095 0.000 0.832 475 N CB -0.399 38.130 38.487 0.070 0.000 1.037 475 N HN 0.093 8.527 8.380 0.091 0.000 0.467 476 Y N 1.267 121.597 120.300 0.050 0.000 2.442 476 Y HA -0.089 nan 4.550 nan 0.000 0.330 476 Y C -1.874 174.090 175.900 0.106 0.000 1.129 476 Y CA 0.444 58.586 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 7.574 8.280 0.274 0.113 0.529 477 G N 5.023 113.716 108.800 -0.178 0.000 2.682 477 G HA2 0.094 nan 3.960 nan 0.000 0.303 477 G HA3 0.094 nan 3.960 nan 0.000 0.303 477 G C -3.669 171.206 174.900 -0.040 0.000 1.341 477 G CA -0.791 44.166 45.100 -0.238 0.000 0.784 477 G HN 0.367 8.738 8.290 0.135 0.000 0.497 478 Y N -0.368 119.843 120.300 -0.147 0.000 2.491 478 Y HA 0.150 nan 4.550 nan 0.000 0.334 478 Y C -1.305 174.496 175.900 -0.165 0.000 0.969 478 Y CA -1.909 56.039 58.100 -0.254 0.000 1.241 478 Y CB 0.460 38.673 38.460 -0.411 0.000 1.105 478 Y HN -0.071 8.259 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 -0.135 175.146 175.510 -0.381 0.000 1.210 479 N CA -0.527 52.394 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 0.335 8.466 8.380 -0.276 0.084 0.491 480 A N 5.609 128.326 122.820 -0.172 0.000 2.121 480 A HA -0.206 nan 4.320 nan 0.000 0.218 480 A C 1.126 178.658 177.584 -0.086 0.000 1.154 480 A CA 2.476 54.469 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 -2.915 119.854 122.820 -0.086 0.000 2.067 481 A HA -0.191 nan 4.320 nan 0.000 0.219 481 A C 0.657 178.193 177.584 -0.079 0.000 1.158 481 A CA 2.606 54.607 52.037 -0.060 0.000 0.661 481 A CB -0.261 18.713 19.000 -0.044 0.000 0.801 481 A HN 0.043 8.261 8.150 -0.090 -0.122 0.452 482 T N -9.407 105.065 114.554 -0.136 0.000 3.130 482 T HA 0.183 nan 4.350 nan 0.000 0.288 482 T C 0.118 174.686 174.700 -0.221 0.000 0.936 482 T CA -0.658 61.361 62.100 -0.136 0.000 0.897 482 T CB 0.978 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 -1.364 118.604 120.200 -0.387 0.000 2.637 483 E HA -0.429 nan 4.350 nan 0.000 0.265 483 E C -1.371 174.724 176.600 -0.842 0.000 1.073 483 E CA 1.482 57.444 56.400 -0.730 0.000 0.778 483 E CB -1.597 27.953 29.700 -0.249 0.000 1.362 483 E HN 0.257 8.279 8.360 -0.356 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 -0.907 175.527 176.600 -0.277 0.000 0.919 484 E CA -2.337 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 -0.432 7.563 8.360 -0.566 0.025 0.402 485 Y N 2.359 122.661 120.300 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 0.473 58.698 58.100 0.208 0.000 1.467 485 Y CB -1.018 37.683 38.460 0.402 0.000 1.287 485 Y HN 0.378 8.789 8.280 0.218 0.000 0.504 486 G N 1.421 110.431 108.800 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 -1.696 43.572 45.100 0.279 0.000 0.959 486 G HN -0.381 8.041 8.290 0.220 0.000 0.522 487 N N 0.808 119.621 118.700 0.189 0.000 2.416 487 N HA 0.041 nan 4.740 nan 0.000 0.271 487 N C 1.615 177.188 175.510 0.105 0.000 1.245 487 N CA 0.705 53.849 53.050 0.158 0.000 0.940 487 N CB 0.237 38.781 38.487 0.096 0.000 1.175 487 N HN 0.110 8.571 8.380 0.134 0.000 0.483 488 M N 5.855 125.516 119.600 0.101 0.000 2.144 488 M HA -0.400 nan 4.480 nan 0.000 0.260 488 M C 1.735 178.060 176.300 0.042 0.000 1.067 488 M CA 4.303 59.637 55.300 0.057 0.000 1.095 488 M CB -0.432 32.196 32.600 0.046 0.000 1.365 488 M HN 0.354 8.724 8.290 0.133 0.000 0.406 489 I N -1.454 119.144 120.570 0.046 0.000 2.353 489 I HA -0.349 nan 4.170 nan 0.000 0.248 489 I C 3.115 179.249 176.117 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 -0.615 7.698 8.210 0.059 -0.068 0.421 490 D N 1.295 121.716 120.400 0.035 0.000 2.178 490 D HA -0.170 nan 4.640 nan 0.000 0.202 490 D C 1.854 178.168 176.300 0.022 0.000 0.974 490 D CA 2.996 57.013 54.000 0.028 0.000 0.841 490 D CB 0.072 40.892 40.800 0.032 0.000 0.953 490 D HN 0.127 8.902 8.370 0.045 -0.378 0.478 491 M N -3.444 116.171 119.600 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 0.399 55.707 55.300 0.013 0.000 1.060 491 M CB 0.401 33.008 32.600 0.011 0.000 1.535 491 M HN -0.117 8.080 8.290 0.034 0.113 0.507 492 G N -1.171 107.636 108.800 0.012 0.000 2.155 492 G HA2 -0.374 nan 3.960 nan 0.000 0.257 492 G HA3 -0.374 nan 3.960 nan 0.000 0.257 492 G C -0.255 174.649 174.900 0.008 0.000 0.983 492 G CA 0.860 45.965 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 3.865 124.440 120.570 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 -2.702 35.299 38.000 0.001 0.000 1.469 493 I HN -0.175 7.999 8.210 0.012 0.042 0.512 494 L N 2.195 123.427 121.223 0.014 0.000 2.223 494 L HA 0.910 nan 4.340 nan 0.000 0.243 494 L C -1.261 175.620 176.870 0.018 0.000 1.105 494 L CA -2.244 52.607 54.840 0.017 0.000 0.943 494 L CB 2.688 44.758 42.059 0.019 0.000 1.542 494 L HN -0.399 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 0.387 41.200 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 0.296 177.610 177.300 0.024 0.000 1.200 496 P CA 0.561 63.676 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 2.212 116.779 114.554 0.022 0.000 2.942 497 T HA -0.174 nan 4.350 nan 0.000 0.265 497 T C 1.658 176.370 174.700 0.021 0.000 1.062 497 T CA 4.280 66.392 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 0.281 8.435 8.240 0.021 0.098 0.468 498 K N 0.991 121.406 120.400 0.024 0.000 2.020 498 K HA -0.393 nan 4.320 nan 0.000 0.212 498 K C 1.482 178.105 176.600 0.039 0.000 1.050 498 K CA 4.003 60.308 56.287 0.029 0.000 0.929 498 K CB -0.400 32.121 32.500 0.034 0.000 0.714 498 K HN 0.162 8.413 8.250 0.024 0.013 0.443 499 V N -6.806 113.133 119.914 0.041 0.000 2.358 499 V HA -0.142 nan 4.120 nan 0.000 0.246 499 V C 1.720 177.841 176.094 0.045 0.000 1.047 499 V CA 2.980 65.309 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 1.462 116.035 114.554 0.032 0.000 2.915 500 T HA -0.213 nan 4.350 nan 0.000 0.269 500 T C 1.926 176.638 174.700 0.020 0.000 1.071 500 T CA 4.067 66.183 62.100 0.026 0.000 1.132 500 T CB -0.455 68.425 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 2.293 122.802 120.500 0.015 0.000 2.052 501 R HA -0.210 nan 4.340 nan 0.000 0.226 501 R C 1.620 177.907 176.300 -0.021 0.000 1.145 501 R CA 3.328 59.425 56.100 -0.006 0.000 0.952 501 R CB 0.401 30.696 30.300 -0.008 0.000 0.847 501 R HN 0.038 8.202 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 1.067 175.766 174.600 0.165 0.000 0.970 502 S CA 2.112 60.336 58.200 0.040 0.000 0.947 502 S CB -0.414 62.900 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 1.249 124.124 122.820 0.092 0.000 1.942 503 A HA 0.083 nan 4.320 nan 0.000 0.209 503 A C 1.030 178.655 177.584 0.069 0.000 1.214 503 A CA 2.268 54.367 52.037 0.104 0.000 0.686 503 A CB -0.252 18.786 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 -0.765 120.471 121.223 0.021 0.000 2.179 504 L HA -0.240 nan 4.340 nan 0.000 0.208 504 L C 1.869 178.714 176.870 -0.040 0.000 1.096 504 L CA 2.953 57.791 54.840 -0.002 0.000 0.779 504 L CB -0.216 41.837 42.059 -0.010 0.000 0.922 504 L HN -0.629 7.526 8.230 0.014 0.083 0.443 505 Q N -1.687 118.044 119.800 -0.114 0.000 2.119 505 Q HA -0.310 nan 4.340 nan 0.000 0.201 505 Q C 2.509 178.337 176.000 -0.288 0.000 0.972 505 Q CA 3.335 58.991 55.803 -0.245 0.000 0.847 505 Q CB -0.030 28.471 28.738 -0.394 0.000 0.903 505 Q HN 0.392 8.497 8.270 -0.100 0.105 0.433 506 Y N -2.514 117.790 120.300 0.008 0.000 2.365 506 Y HA -0.192 nan 4.550 nan 0.000 0.293 506 Y C 1.090 176.994 175.900 0.007 0.000 1.119 506 Y CA 1.982 60.087 58.100 0.007 0.000 1.203 506 Y CB -0.395 38.069 38.460 0.007 0.000 1.026 506 Y HN -0.768 7.460 8.280 -0.088 0.000 0.549 507 A N -0.576 122.322 122.820 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 3.120 55.205 52.037 0.080 0.000 0.624 507 A CB -0.958 18.074 19.000 0.053 0.000 0.822 507 A HN -0.311 7.911 8.150 0.119 0.000 0.444 508 A N -5.139 117.699 122.820 0.029 0.000 2.169 508 A HA -0.081 nan 4.320 nan 0.000 0.212 508 A C 1.722 179.319 177.584 0.021 0.000 1.153 508 A CA 1.772 53.818 52.037 0.016 0.000 0.756 508 A CB -0.823 18.176 19.000 -0.003 0.000 0.813 508 A HN -0.276 7.883 8.150 0.016 0.000 0.471 509 S N 0.133 115.855 115.700 0.038 0.000 2.335 509 S HA -0.212 nan 4.470 nan 0.000 0.217 509 S C 1.967 176.604 174.600 0.061 0.000 1.032 509 S CA 3.367 61.598 58.200 0.052 0.000 0.985 509 S CB 0.104 63.366 63.200 0.104 0.000 0.896 509 S HN -0.742 7.425 8.310 0.050 0.173 0.445 510 V N 0.551 120.511 119.914 0.077 0.000 2.233 510 V HA -0.423 nan 4.120 nan 0.000 0.247 510 V C 1.871 177.990 176.094 0.041 0.000 1.050 510 V CA 3.067 65.402 62.300 0.057 0.000 1.010 510 V CB -1.330 30.526 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 -1.566 121.277 122.820 0.038 0.000 2.042 511 A HA -0.340 nan 4.320 nan 0.000 0.222 511 A C 2.060 179.659 177.584 0.024 0.000 1.167 511 A CA 3.229 55.283 52.037 0.028 0.000 0.649 511 A CB -0.910 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 -1.715 107.099 108.800 0.025 0.000 2.404 512 G HA2 -0.221 nan 3.960 nan 0.000 0.214 512 G HA3 -0.221 nan 3.960 nan 0.000 0.214 512 G C 1.142 176.055 174.900 0.022 0.000 1.189 512 G CA 1.396 46.508 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 1.150 122.389 121.223 0.027 0.000 2.129 513 L HA -0.443 nan 4.340 nan 0.000 0.212 513 L C 2.592 179.477 176.870 0.025 0.000 1.087 513 L CA 2.818 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 -0.394 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 2.588 178.902 176.300 0.022 0.000 1.070 514 M CA 3.580 58.894 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 -0.525 120.057 120.570 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 3.016 64.327 61.300 0.018 0.000 1.404 515 I CB 0.175 38.184 38.000 0.016 0.000 1.071 515 I HN -0.562 7.661 8.210 0.021 0.000 0.419 516 T N -6.693 107.874 114.554 0.021 0.000 3.235 516 T HA 0.169 nan 4.350 nan 0.000 0.251 516 T C 0.237 174.954 174.700 0.028 0.000 1.060 516 T CA -0.703 61.411 62.100 0.023 0.000 0.949 516 T CB -0.649 68.231 68.868 0.021 0.000 1.020 516 T HN -0.546 7.707 8.240 0.021 0.000 0.564 517 T N 3.395 117.966 114.554 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 1.218 70.102 68.868 0.027 0.000 0.961 517 T HN -0.614 7.462 8.240 0.026 0.180 0.490 518 E N 1.208 121.440 120.200 0.053 0.000 2.474 518 E HA 0.189 nan 4.350 nan 0.000 0.215 518 E C -1.608 175.052 176.600 0.100 0.000 0.867 518 E CA 0.668 57.120 56.400 0.087 0.000 1.135 518 E CB 1.987 31.755 29.700 0.112 0.000 1.147 518 E HN 0.319 8.709 8.360 0.050 0.000 0.534 519 C N -1.833 117.487 119.300 0.033 0.000 2.888 519 C HA 0.675 nan 4.460 nan 0.000 0.308 519 C C -1.675 173.265 174.990 -0.083 0.000 1.213 519 C CA -1.864 57.094 59.018 -0.101 0.000 1.461 519 C CB 1.993 29.678 27.740 -0.092 0.000 1.934 519 C HN -0.484 7.766 8.230 0.033 0.000 0.474 520 M N 5.920 125.452 119.600 -0.113 0.000 2.263 520 M HA 0.355 nan 4.480 nan 0.000 0.295 520 M C -1.872 174.457 176.300 0.049 0.000 1.028 520 M CA -0.516 54.804 55.300 0.034 0.000 0.921 520 M CB 3.719 36.444 32.600 0.208 0.000 1.601 520 M HN 0.402 8.541 8.290 -0.252 0.000 0.440 521 V N 3.722 123.637 119.914 0.001 0.000 2.448 521 V HA 0.428 nan 4.120 nan 0.000 0.295 521 V C -1.014 175.027 176.094 -0.087 0.000 1.025 521 V CA -0.224 62.059 62.300 -0.027 0.000 0.859 521 V CB 1.306 33.106 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 5.394 119.859 114.554 -0.149 0.000 2.754 522 T HA 0.429 nan 4.350 nan 0.000 0.296 522 T C -1.732 172.860 174.700 -0.180 0.000 1.205 522 T CA -0.958 60.996 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 0.015 8.197 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