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 2vdo_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.869 176.870 -0.001 0.000 1.165 1 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 1 L CB 0.000 42.068 42.059 0.015 0.000 0.961 2 N N 0.375 119.080 118.700 0.009 0.000 2.299 2 N HA 0.213 4.953 4.740 -0.000 0.000 0.246 2 N C -0.443 175.066 175.510 -0.002 0.000 1.254 2 N CA -0.255 52.792 53.050 -0.005 0.000 0.879 2 N CB 0.472 38.951 38.487 -0.014 0.000 1.214 2 N HN 0.302 nan 8.380 nan 0.000 0.510 3 L N 1.108 122.341 121.223 0.017 0.000 2.380 3 L HA 0.171 4.511 4.340 -0.000 0.000 0.273 3 L C 0.117 177.030 176.870 0.072 0.000 1.138 3 L CA -0.326 54.545 54.840 0.052 0.000 0.832 3 L CB 0.617 42.701 42.059 0.041 0.000 1.124 3 L HN 0.004 nan 8.230 nan 0.000 0.454 4 D N 5.013 125.477 120.400 0.106 0.000 2.339 4 D HA 0.167 4.807 4.640 -0.000 0.000 0.241 4 D C -1.590 174.814 176.300 0.173 0.000 1.183 4 D CA -1.769 52.286 54.000 0.092 0.000 0.859 4 D CB 1.225 42.055 40.800 0.050 0.000 1.067 4 D HN 0.202 nan 8.370 nan 0.000 0.484 5 P HA -0.010 nan 4.420 nan 0.000 0.251 5 P C 1.004 178.367 177.300 0.106 0.000 1.223 5 P CA 0.060 63.292 63.100 0.220 0.000 0.796 5 P CB 0.636 32.419 31.700 0.138 0.000 1.068 6 V N 0.133 120.075 119.914 0.047 0.000 2.331 6 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 6 V C 1.450 177.524 176.094 -0.032 0.000 1.034 6 V CA 1.345 63.650 62.300 0.008 0.000 1.027 6 V CB -0.988 30.838 31.823 0.005 0.000 0.667 6 V HN 0.077 nan 8.190 nan 0.000 0.457 7 Q N 1.707 121.485 119.800 -0.037 0.000 3.027 7 Q HA 0.362 4.702 4.340 -0.000 0.000 0.260 7 Q C -0.561 175.351 176.000 -0.147 0.000 1.379 7 Q CA 0.149 55.910 55.803 -0.069 0.000 1.038 7 Q CB 0.158 28.880 28.738 -0.028 0.000 1.578 7 Q HN 0.513 nan 8.270 nan 0.000 0.571 8 L N 0.653 121.702 121.223 -0.290 0.000 2.418 8 L HA 0.404 4.743 4.340 -0.000 0.000 0.265 8 L C 0.487 176.998 176.870 -0.599 0.000 1.143 8 L CA -0.258 54.243 54.840 -0.565 0.000 0.809 8 L CB 0.731 42.237 42.059 -0.922 0.000 1.124 8 L HN 0.112 nan 8.230 nan 0.000 0.456 9 T N 1.752 115.983 114.554 -0.538 0.000 2.779 9 T HA 0.537 4.887 4.350 -0.000 0.000 0.280 9 T C -0.580 173.824 174.700 -0.493 0.000 0.987 9 T CA -0.252 61.587 62.100 -0.435 0.000 0.966 9 T CB 0.597 69.366 68.868 -0.165 0.000 0.933 9 T HN 0.138 nan 8.240 nan 0.000 0.442 10 F N 2.401 122.268 119.950 -0.138 0.000 2.427 10 F HA 0.533 5.060 4.527 -0.000 0.000 0.346 10 F C -0.263 175.447 175.800 -0.151 0.000 1.120 10 F CA -1.064 56.932 58.000 -0.006 0.000 1.033 10 F CB 1.101 40.134 39.000 0.055 0.000 1.126 10 F HN 0.490 nan 8.300 nan 0.000 0.462 11 Y N 1.755 122.257 120.300 0.337 0.000 2.387 11 Y HA 0.711 5.261 4.550 -0.000 0.000 0.336 11 Y C 0.054 176.021 175.900 0.111 0.000 1.067 11 Y CA -1.012 57.221 58.100 0.221 0.000 1.114 11 Y CB 1.876 40.528 38.460 0.319 0.000 1.208 11 Y HN 0.638 nan 8.280 nan 0.000 0.458 12 A N 1.405 124.158 122.820 -0.111 0.000 2.401 12 A HA 0.862 5.182 4.320 -0.000 0.000 0.310 12 A C -0.174 176.688 177.584 -1.203 0.000 1.075 12 A CA -0.199 51.541 52.037 -0.496 0.000 0.746 12 A CB 1.052 19.908 19.000 -0.241 0.000 1.277 12 A HN 0.864 nan 8.150 nan 0.000 0.425 13 G N 0.238 108.138 108.800 -1.500 0.000 2.887 13 G HA2 0.724 4.684 3.960 -0.000 0.000 0.277 13 G HA3 0.724 4.684 3.960 -0.000 0.000 0.277 13 G C -2.978 171.633 174.900 -0.480 0.000 1.346 13 G CA -1.732 42.614 45.100 -1.256 0.000 1.058 13 G HN 0.531 nan 8.290 nan 0.000 0.535 14 P HA 0.140 nan 4.420 nan 0.000 0.272 14 P C -0.304 176.970 177.300 -0.043 0.000 1.223 14 P CA -0.668 62.376 63.100 -0.094 0.000 0.784 14 P CB 0.486 32.192 31.700 0.009 0.000 0.923 15 N N 1.300 119.981 118.700 -0.032 0.000 2.411 15 N HA 0.137 4.877 4.740 -0.000 0.000 0.261 15 N C 1.542 177.064 175.510 0.020 0.000 1.248 15 N CA 1.908 54.952 53.050 -0.010 0.000 0.885 15 N CB -0.321 38.159 38.487 -0.012 0.000 1.062 15 N HN 0.739 nan 8.380 nan 0.000 0.471 16 G N 1.027 109.848 108.800 0.035 0.000 2.179 16 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 16 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 16 G C 0.968 175.913 174.900 0.075 0.000 0.977 16 G CA 0.886 46.017 45.100 0.051 0.000 0.641 16 G HN 0.723 nan 8.290 nan 0.000 0.533 17 S N -0.508 115.253 115.700 0.102 0.000 2.496 17 S HA 0.165 4.634 4.470 -0.000 0.000 0.224 17 S C 1.293 175.998 174.600 0.175 0.000 0.996 17 S CA 1.310 59.598 58.200 0.147 0.000 0.927 17 S CB -0.179 63.142 63.200 0.201 0.000 0.774 17 S HN 1.104 nan 8.310 nan 0.000 0.524 18 Q N -0.409 119.512 119.800 0.202 0.000 2.494 18 Q HA -0.197 4.143 4.340 -0.000 0.000 0.272 18 Q C -0.496 175.697 176.000 0.322 0.000 1.145 18 Q CA 0.502 56.471 55.803 0.277 0.000 0.943 18 Q CB -2.437 26.394 28.738 0.155 0.000 1.338 18 Q HN 0.740 nan 8.270 nan 0.000 0.492 19 F N 0.813 120.847 119.950 0.140 0.000 2.549 19 F HA 0.172 4.699 4.527 -0.000 0.000 0.400 19 F C 1.455 177.344 175.800 0.148 0.000 1.011 19 F CA 2.186 60.255 58.000 0.115 0.000 1.148 19 F CB 0.271 39.257 39.000 -0.023 0.000 0.993 19 F HN 0.311 nan 8.300 nan 0.000 0.540 20 G N 4.885 113.601 108.800 -0.140 0.000 2.184 20 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.206 20 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.206 20 G C 0.709 175.718 174.900 0.180 0.000 0.995 20 G CA 0.094 45.183 45.100 -0.018 0.000 0.651 20 G HN 0.730 nan 8.290 nan 0.000 0.511 21 F N 2.563 122.572 119.950 0.098 0.000 2.161 21 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 21 F C 1.550 177.424 175.800 0.124 0.000 1.089 21 F CA 2.374 60.445 58.000 0.119 0.000 1.282 21 F CB 0.177 39.136 39.000 -0.069 0.000 1.010 21 F HN 0.627 nan 8.300 nan 0.000 0.485 22 S N -0.295 115.517 115.700 0.188 0.000 2.579 22 S HA 0.719 5.189 4.470 -0.000 0.000 0.272 22 S C -1.309 173.268 174.600 -0.039 0.000 1.141 22 S CA -0.565 57.663 58.200 0.045 0.000 0.843 22 S CB 2.308 65.560 63.200 0.086 0.000 1.122 22 S HN 0.280 nan 8.310 nan 0.000 0.468 23 L N -1.069 120.106 121.223 -0.081 0.000 2.775 23 L HA 0.980 5.320 4.340 -0.000 0.000 0.263 23 L C -1.422 175.362 176.870 -0.142 0.000 1.017 23 L CA -0.551 54.211 54.840 -0.130 0.000 0.891 23 L CB 0.883 42.838 42.059 -0.173 0.000 1.482 23 L HN 0.823 nan 8.230 nan 0.000 0.410 24 D N -0.604 119.695 120.400 -0.168 0.000 2.622 24 D HA 0.609 5.249 4.640 -0.000 0.000 0.255 24 D C -1.544 174.634 176.300 -0.203 0.000 1.246 24 D CA -0.278 53.629 54.000 -0.155 0.000 0.795 24 D CB 1.682 42.486 40.800 0.008 0.000 1.369 24 D HN 0.364 nan 8.370 nan 0.000 0.425 25 F N 0.989 120.976 119.950 0.060 0.000 2.389 25 F HA 0.394 4.921 4.527 -0.000 0.000 0.337 25 F C 0.527 176.403 175.800 0.126 0.000 1.112 25 F CA -0.111 57.930 58.000 0.069 0.000 1.192 25 F CB 0.794 39.811 39.000 0.029 0.000 1.185 25 F HN 0.233 nan 8.300 nan 0.000 0.552 26 H N 1.901 121.095 119.070 0.206 0.000 2.840 26 H HA 0.337 4.893 4.556 -0.000 0.000 0.340 26 H C -1.206 174.181 175.328 0.099 0.000 1.004 26 H CA -1.051 55.071 56.048 0.124 0.000 1.288 26 H CB 1.293 31.110 29.762 0.092 0.000 1.607 26 H HN 0.592 nan 8.280 nan 0.000 0.522 27 K N 4.354 124.455 120.400 -0.498 0.000 2.265 27 K HA 0.231 4.551 4.320 -0.000 0.000 0.267 27 K C -0.610 175.654 176.600 -0.559 0.000 0.994 27 K CA -0.856 55.203 56.287 -0.381 0.000 0.860 27 K CB 0.632 33.006 32.500 -0.211 0.000 1.099 27 K HN 0.790 nan 8.250 nan 0.000 0.448 28 D N 2.322 122.530 120.400 -0.320 0.000 2.393 28 D HA -0.067 4.573 4.640 -0.000 0.000 0.246 28 D C 0.955 177.173 176.300 -0.137 0.000 1.275 28 D CA -0.187 53.715 54.000 -0.164 0.000 0.979 28 D CB 0.683 41.505 40.800 0.036 0.000 1.101 28 D HN 0.451 nan 8.370 nan 0.000 0.505 29 S N -1.053 114.563 115.700 -0.140 0.000 2.399 29 S HA -0.239 4.231 4.470 -0.000 0.000 0.231 29 S C 1.609 176.078 174.600 -0.218 0.000 1.022 29 S CA 1.099 59.172 58.200 -0.212 0.000 0.983 29 S CB -0.989 62.048 63.200 -0.272 0.000 0.803 29 S HN 0.599 nan 8.310 nan 0.000 0.480 30 H N 1.474 120.514 119.070 -0.051 0.000 2.457 30 H HA 0.287 4.843 4.556 -0.000 0.000 0.294 30 H C 1.935 177.237 175.328 -0.045 0.000 1.064 30 H CA 0.978 57.004 56.048 -0.037 0.000 1.330 30 H CB -0.260 29.492 29.762 -0.018 0.000 1.395 30 H HN 0.626 nan 8.280 nan 0.000 0.541 31 G N -0.065 108.757 108.800 0.037 0.000 2.192 31 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.193 31 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.193 31 G C 0.288 175.185 174.900 -0.006 0.000 0.999 31 G CA -0.157 44.934 45.100 -0.014 0.000 0.659 31 G HN 0.339 nan 8.290 nan 0.000 0.503 32 R N 1.124 121.644 120.500 0.034 0.000 2.370 32 R HA 0.524 4.864 4.340 -0.000 0.000 0.309 32 R C 0.334 176.655 176.300 0.034 0.000 1.059 32 R CA -0.028 56.100 56.100 0.047 0.000 0.981 32 R CB 0.651 30.996 30.300 0.076 0.000 0.972 32 R HN 0.129 nan 8.270 nan 0.000 0.437 33 V N 4.981 124.920 119.914 0.043 0.000 2.461 33 V HA 0.573 4.693 4.120 -0.000 0.000 0.275 33 V C 0.495 176.688 176.094 0.165 0.000 1.047 33 V CA 0.130 62.468 62.300 0.062 0.000 0.955 33 V CB 0.850 32.679 31.823 0.011 0.000 0.988 33 V HN 0.988 nan 8.190 nan 0.000 0.471 34 A N 5.823 128.760 122.820 0.195 0.000 2.414 34 A HA 0.934 5.254 4.320 -0.000 0.000 0.278 34 A C -0.774 176.940 177.584 0.218 0.000 1.228 34 A CA -0.777 51.396 52.037 0.227 0.000 0.857 34 A CB 1.254 20.385 19.000 0.218 0.000 1.389 34 A HN 0.681 nan 8.150 nan 0.000 0.452 35 I N 0.557 121.194 120.570 0.112 0.000 2.418 35 I HA 0.360 4.530 4.170 -0.000 0.000 0.287 35 I C -0.642 175.463 176.117 -0.021 0.000 1.008 35 I CA -0.778 60.520 61.300 -0.002 0.000 1.104 35 I CB 1.745 39.672 38.000 -0.121 0.000 1.264 35 I HN 0.350 nan 8.210 nan 0.000 0.438 36 V N 8.364 128.270 119.914 -0.012 0.000 2.432 36 V HA 0.468 4.588 4.120 -0.000 0.000 0.275 36 V C -0.398 175.651 176.094 -0.075 0.000 1.043 36 V CA -0.036 62.256 62.300 -0.013 0.000 0.925 36 V CB 1.619 33.443 31.823 0.002 0.000 0.985 36 V HN 0.461 nan 8.190 nan 0.000 0.466 37 V N 6.426 126.298 119.914 -0.070 0.000 2.487 37 V HA 0.679 4.799 4.120 -0.000 0.000 0.298 37 V C 0.651 176.691 176.094 -0.090 0.000 1.028 37 V CA -0.154 62.019 62.300 -0.211 0.000 0.860 37 V CB 1.598 33.059 31.823 -0.604 0.000 0.991 37 V HN 1.009 nan 8.190 nan 0.000 0.427 38 G N 2.720 111.472 108.800 -0.080 0.000 2.377 38 G HA2 0.618 4.578 3.960 -0.000 0.000 0.299 38 G HA3 0.618 4.578 3.960 -0.000 0.000 0.299 38 G C -0.203 174.730 174.900 0.055 0.000 1.150 38 G CA -0.070 45.035 45.100 0.009 0.000 0.847 38 G HN 1.209 nan 8.290 nan 0.000 0.501 39 A N 4.040 126.936 122.820 0.128 0.000 3.082 39 A HA 0.641 4.961 4.320 -0.000 0.000 0.328 39 A C -1.579 176.061 177.584 0.094 0.000 1.089 39 A CA -1.066 51.095 52.037 0.207 0.000 0.802 39 A CB 1.499 20.801 19.000 0.503 0.000 1.138 39 A HN 0.433 nan 8.150 nan 0.000 0.474 40 P HA -0.100 nan 4.420 nan 0.000 0.228 40 P C 0.696 177.967 177.300 -0.048 0.000 1.151 40 P CA 0.906 63.944 63.100 -0.104 0.000 0.770 40 P CB 0.191 31.705 31.700 -0.311 0.000 0.786 41 R N -1.011 119.483 120.500 -0.010 0.000 2.509 41 R HA 0.189 4.529 4.340 -0.000 0.000 0.300 41 R C 0.173 176.506 176.300 0.054 0.000 0.985 41 R CA -0.039 56.066 56.100 0.008 0.000 1.092 41 R CB 0.045 30.341 30.300 -0.008 0.000 1.237 41 R HN 0.071 nan 8.270 nan 0.000 0.546 42 T N 2.326 116.937 114.554 0.095 0.000 2.933 42 T HA 0.036 4.386 4.350 -0.000 0.000 0.306 42 T C 0.595 175.339 174.700 0.074 0.000 1.045 42 T CA 0.345 62.522 62.100 0.128 0.000 1.143 42 T CB 0.736 69.717 68.868 0.189 0.000 1.003 42 T HN 0.106 nan 8.240 nan 0.000 0.540 43 L N 3.011 124.277 121.223 0.072 0.000 2.367 43 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 43 L C 1.468 178.363 176.870 0.043 0.000 1.129 43 L CA -0.493 54.376 54.840 0.048 0.000 0.839 43 L CB 0.242 42.327 42.059 0.043 0.000 1.133 43 L HN 0.795 nan 8.230 nan 0.000 0.453 44 G N 2.910 111.727 108.800 0.029 0.000 2.570 44 G HA2 0.197 4.157 3.960 -0.000 0.000 0.276 44 G HA3 0.197 4.157 3.960 -0.000 0.000 0.276 44 G C -1.522 173.393 174.900 0.024 0.000 1.346 44 G CA -0.650 44.462 45.100 0.021 0.000 1.034 44 G HN 0.586 nan 8.290 nan 0.000 0.512 45 P HA 0.065 nan 4.420 nan 0.000 0.237 45 P C 0.809 178.121 177.300 0.021 0.000 1.178 45 P CA 0.643 63.755 63.100 0.020 0.000 0.766 45 P CB 0.535 32.245 31.700 0.017 0.000 0.876 46 S N -0.569 115.145 115.700 0.023 0.000 2.601 46 S HA 0.157 4.627 4.470 -0.000 0.000 0.244 46 S C 0.513 175.126 174.600 0.021 0.000 1.001 46 S CA -0.317 57.897 58.200 0.022 0.000 0.984 46 S CB -0.166 63.048 63.200 0.024 0.000 0.842 46 S HN 0.108 nan 8.310 nan 0.000 0.474 47 Q N 0.423 120.236 119.800 0.022 0.000 2.489 47 Q HA -0.217 4.123 4.340 -0.000 0.000 0.259 47 Q C -0.162 175.850 176.000 0.020 0.000 0.934 47 Q CA 0.954 56.770 55.803 0.021 0.000 1.131 47 Q CB -0.951 27.798 28.738 0.017 0.000 1.472 47 Q HN 0.673 nan 8.270 nan 0.000 0.560 48 E N 0.373 120.587 120.200 0.023 0.000 2.191 48 E HA 0.267 4.617 4.350 -0.000 0.000 0.274 48 E C -0.789 175.826 176.600 0.025 0.000 0.948 48 E CA -0.504 55.910 56.400 0.023 0.000 0.802 48 E CB 1.025 30.742 29.700 0.029 0.000 1.137 48 E HN 0.124 nan 8.360 nan 0.000 0.397 49 E N 1.472 121.684 120.200 0.021 0.000 2.366 49 E HA 0.014 4.364 4.350 -0.000 0.000 0.266 49 E C 0.239 176.857 176.600 0.029 0.000 1.015 49 E CA 0.453 56.866 56.400 0.022 0.000 0.906 49 E CB 0.852 30.557 29.700 0.009 0.000 0.979 49 E HN 0.629 nan 8.360 nan 0.000 0.443 50 T N -0.127 114.441 114.554 0.024 0.000 2.966 50 T HA 0.359 4.709 4.350 -0.000 0.000 0.254 50 T C 0.841 175.535 174.700 -0.010 0.000 0.961 50 T CA 0.062 62.173 62.100 0.018 0.000 0.915 50 T CB 0.652 69.521 68.868 0.002 0.000 1.186 50 T HN 0.714 nan 8.240 nan 0.000 0.505 51 G N -0.226 108.570 108.800 -0.006 0.000 2.756 51 G HA2 0.415 4.375 3.960 -0.000 0.000 0.678 51 G HA3 0.415 4.375 3.960 -0.000 0.000 0.678 51 G C -0.151 174.717 174.900 -0.054 0.000 1.349 51 G CA -0.489 44.597 45.100 -0.022 0.000 0.847 51 G HN 1.566 nan 8.290 nan 0.000 0.548 52 G N -2.351 106.416 108.800 -0.055 0.000 2.506 52 G HA2 0.780 4.740 3.960 -0.000 0.000 0.292 52 G HA3 0.780 4.740 3.960 -0.000 0.000 0.292 52 G C -1.464 173.348 174.900 -0.147 0.000 1.425 52 G CA 0.421 45.437 45.100 -0.139 0.000 0.788 52 G HN 1.760 nan 8.290 nan 0.000 0.490 53 V N -0.059 119.689 119.914 -0.277 0.000 2.709 53 V HA 0.751 4.871 4.120 -0.000 0.000 0.308 53 V C -1.204 174.653 176.094 -0.396 0.000 1.062 53 V CA -0.646 61.562 62.300 -0.155 0.000 0.901 53 V CB 1.630 33.493 31.823 0.067 0.000 1.003 53 V HN 0.612 nan 8.190 nan 0.000 0.425 54 F N 3.760 123.753 119.950 0.071 0.000 2.532 54 F HA 0.710 5.237 4.527 -0.000 0.000 0.321 54 F C -0.427 175.400 175.800 0.045 0.000 1.089 54 F CA -0.803 57.259 58.000 0.104 0.000 0.926 54 F CB 2.019 41.181 39.000 0.271 0.000 1.168 54 F HN 0.289 nan 8.300 nan 0.000 0.459 55 L N 3.770 125.117 121.223 0.207 0.000 2.324 55 L HA 0.542 4.882 4.340 -0.000 0.000 0.274 55 L C -1.195 175.748 176.870 0.121 0.000 1.012 55 L CA -0.469 54.440 54.840 0.114 0.000 0.859 55 L CB 0.445 42.539 42.059 0.059 0.000 1.224 55 L HN 0.681 nan 8.230 nan 0.000 0.429 56 c N 7.047 125.681 118.600 0.055 0.000 2.265 56 c HA 0.504 5.073 4.570 -0.000 0.000 0.332 56 c C -2.012 172.095 174.090 0.029 0.000 1.248 56 c CA -1.136 55.171 56.329 -0.037 0.000 1.727 56 c CB 0.252 42.505 42.510 -0.429 0.000 2.348 56 c HN 0.604 nan 8.230 nan 0.000 0.519 57 P HA -0.004 nan 4.420 nan 0.000 0.275 57 P C -0.189 177.284 177.300 0.287 0.000 1.228 57 P CA -0.308 62.905 63.100 0.188 0.000 0.786 57 P CB 0.646 32.437 31.700 0.150 0.000 0.927 58 W N 5.611 127.006 121.300 0.159 0.000 2.308 58 W HA 0.125 4.785 4.660 -0.000 0.000 0.324 58 W C -0.865 175.776 176.519 0.203 0.000 1.387 58 W CA -0.056 57.418 57.345 0.215 0.000 1.250 58 W CB 0.331 29.886 29.460 0.159 0.000 1.257 58 W HN 0.410 nan 8.180 nan 0.000 0.554 59 R N 4.490 124.493 120.500 -0.828 0.000 2.548 59 R HA 0.304 4.644 4.340 -0.000 0.000 0.280 59 R C 0.710 176.243 176.300 -1.279 0.000 1.061 59 R CA -0.175 55.369 56.100 -0.926 0.000 0.915 59 R CB 1.766 31.854 30.300 -0.353 0.000 1.210 59 R HN 0.567 nan 8.270 nan 0.000 0.442 60 A N 2.415 124.634 122.820 -1.003 0.000 1.908 60 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 60 A C 1.719 179.051 177.584 -0.420 0.000 1.181 60 A CA 1.837 53.512 52.037 -0.603 0.000 0.627 60 A CB -0.268 18.584 19.000 -0.246 0.000 0.818 60 A HN 0.840 nan 8.150 nan 0.000 0.445 61 E N -0.321 119.664 120.200 -0.358 0.000 2.285 61 E HA 0.226 4.576 4.350 -0.000 0.000 0.194 61 E C 1.297 177.697 176.600 -0.332 0.000 0.997 61 E CA 0.968 57.211 56.400 -0.263 0.000 0.845 61 E CB -0.944 28.649 29.700 -0.180 0.000 0.782 61 E HN 0.947 nan 8.360 nan 0.000 0.491 62 G N 0.990 109.484 108.800 -0.509 0.000 2.547 62 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.271 62 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.271 62 G C 0.642 175.294 174.900 -0.412 0.000 1.209 62 G CA 0.951 45.543 45.100 -0.847 0.000 0.959 62 G HN 1.261 nan 8.290 nan 0.000 0.563 63 G N -2.629 105.983 108.800 -0.313 0.000 2.395 63 G HA2 0.375 4.334 3.960 -0.000 0.000 0.201 63 G HA3 0.375 4.334 3.960 -0.000 0.000 0.201 63 G C -0.322 174.606 174.900 0.047 0.000 1.206 63 G CA 0.654 45.709 45.100 -0.075 0.000 1.210 63 G HN 1.439 nan 8.290 nan 0.000 0.557 64 Q N -0.390 119.428 119.800 0.030 0.000 2.260 64 Q HA 0.628 4.968 4.340 -0.000 0.000 0.238 64 Q C -0.260 175.804 176.000 0.107 0.000 0.948 64 Q CA -0.044 55.760 55.803 0.001 0.000 0.895 64 Q CB 1.542 30.262 28.738 -0.030 0.000 1.218 64 Q HN 0.771 nan 8.270 nan 0.000 0.470 65 c N 1.891 120.543 118.600 0.086 0.000 2.707 65 c HA 0.594 5.163 4.570 -0.000 0.000 0.313 65 c C -2.158 172.102 174.090 0.283 0.000 1.209 65 c CA -1.283 55.168 56.329 0.203 0.000 1.635 65 c CB 1.689 44.363 42.510 0.272 0.000 2.206 65 c HN 0.693 nan 8.230 nan 0.000 0.485 66 P HA 0.164 nan 4.420 nan 0.000 0.275 66 P C -0.583 176.881 177.300 0.273 0.000 1.227 66 P CA 0.284 63.515 63.100 0.218 0.000 0.781 66 P CB 0.759 32.530 31.700 0.119 0.000 0.906 67 S N 2.075 117.861 115.700 0.143 0.000 2.465 67 S HA 0.228 4.698 4.470 -0.000 0.000 0.279 67 S C -0.070 174.412 174.600 -0.198 0.000 1.201 67 S CA -0.700 57.381 58.200 -0.199 0.000 1.053 67 S CB -0.410 62.622 63.200 -0.280 0.000 0.953 67 S HN 0.374 nan 8.310 nan 0.000 0.488 68 L N 7.542 128.613 121.223 -0.254 0.000 2.407 68 L HA 0.359 4.699 4.340 -0.000 0.000 0.282 68 L C -0.317 176.267 176.870 -0.476 0.000 1.110 68 L CA 0.236 54.897 54.840 -0.299 0.000 0.863 68 L CB -0.149 41.768 42.059 -0.236 0.000 1.207 68 L HN 0.645 nan 8.230 nan 0.000 0.454 69 L N 5.443 126.404 121.223 -0.438 0.000 2.453 69 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 69 L C -0.523 175.948 176.870 -0.665 0.000 1.182 69 L CA 0.527 55.136 54.840 -0.385 0.000 0.858 69 L CB 0.157 42.085 42.059 -0.218 0.000 1.120 69 L HN 0.496 nan 8.230 nan 0.000 0.474 70 F N 0.189 120.068 119.950 -0.119 0.000 2.629 70 F HA 0.237 4.764 4.527 -0.000 0.000 0.316 70 F C 0.155 175.923 175.800 -0.053 0.000 1.081 70 F CA -1.152 56.789 58.000 -0.098 0.000 0.954 70 F CB 1.153 39.972 39.000 -0.302 0.000 1.337 70 F HN 0.308 nan 8.300 nan 0.000 0.474 71 D N 1.864 122.433 120.400 0.281 0.000 2.346 71 D HA 0.215 4.855 4.640 -0.000 0.000 0.260 71 D C 0.228 176.638 176.300 0.183 0.000 1.252 71 D CA 0.456 54.580 54.000 0.206 0.000 0.895 71 D CB 0.533 41.475 40.800 0.238 0.000 1.097 71 D HN 0.480 nan 8.370 nan 0.000 0.489 72 L N 3.538 124.820 121.223 0.098 0.000 2.741 72 L HA 0.260 4.600 4.340 -0.000 0.000 0.237 72 L C 0.970 177.890 176.870 0.083 0.000 1.178 72 L CA -0.209 54.674 54.840 0.073 0.000 0.973 72 L CB 0.016 42.090 42.059 0.025 0.000 1.255 72 L HN 0.050 nan 8.230 nan 0.000 0.498 73 R N 0.543 121.097 120.500 0.090 0.000 2.297 73 R HA 0.220 4.560 4.340 -0.000 0.000 0.308 73 R C -0.537 175.800 176.300 0.063 0.000 1.029 73 R CA -0.778 55.361 56.100 0.066 0.000 0.929 73 R CB 1.047 31.379 30.300 0.054 0.000 1.046 73 R HN -0.032 nan 8.270 nan 0.000 0.461 74 D N 2.345 122.762 120.400 0.028 0.000 2.400 74 D HA 0.034 4.673 4.640 -0.000 0.000 0.238 74 D C -0.141 176.131 176.300 -0.046 0.000 1.157 74 D CA 0.535 54.516 54.000 -0.032 0.000 0.889 74 D CB 0.771 41.509 40.800 -0.104 0.000 1.199 74 D HN 0.360 nan 8.370 nan 0.000 0.436 75 E N -0.200 119.956 120.200 -0.074 0.000 2.256 75 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 75 E C -0.770 175.766 176.600 -0.106 0.000 0.892 75 E CA -0.786 55.587 56.400 -0.045 0.000 0.775 75 E CB 1.994 31.710 29.700 0.028 0.000 1.207 75 E HN 0.145 nan 8.360 nan 0.000 0.420 76 T N 1.662 116.171 114.554 -0.074 0.000 2.916 76 T HA 0.501 4.851 4.350 -0.000 0.000 0.298 76 T C -1.145 173.529 174.700 -0.043 0.000 1.031 76 T CA -0.754 61.292 62.100 -0.090 0.000 0.993 76 T CB 1.299 70.114 68.868 -0.088 0.000 1.045 76 T HN 0.293 nan 8.240 nan 0.000 0.454 77 R N 2.662 123.139 120.500 -0.039 0.000 2.510 77 R HA 0.333 4.672 4.340 -0.000 0.000 0.294 77 R C -1.331 174.959 176.300 -0.017 0.000 1.056 77 R CA -0.658 55.435 56.100 -0.012 0.000 0.918 77 R CB 0.705 31.019 30.300 0.023 0.000 1.187 77 R HN 0.509 nan 8.270 nan 0.000 0.437 78 N N 3.569 122.261 118.700 -0.013 0.000 2.469 78 N HA 0.227 4.967 4.740 -0.000 0.000 0.239 78 N C -1.197 174.313 175.510 -0.000 0.000 1.053 78 N CA -0.069 52.975 53.050 -0.011 0.000 0.937 78 N CB 1.858 40.339 38.487 -0.011 0.000 1.163 78 N HN 0.282 nan 8.380 nan 0.000 0.509 79 V N 0.199 120.117 119.914 0.006 0.000 2.969 79 V HA 0.616 4.736 4.120 -0.000 0.000 0.304 79 V C 0.576 176.680 176.094 0.018 0.000 1.192 79 V CA -0.103 62.206 62.300 0.014 0.000 0.962 79 V CB 1.580 33.417 31.823 0.024 0.000 1.045 79 V HN 0.809 nan 8.190 nan 0.000 0.428 80 G N 4.198 113.009 108.800 0.017 0.000 2.249 80 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.273 80 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.273 80 G C 0.636 175.544 174.900 0.013 0.000 1.036 80 G CA 0.986 46.097 45.100 0.018 0.000 0.824 80 G HN 2.078 nan 8.290 nan 0.000 0.504 81 S N -2.072 113.634 115.700 0.009 0.000 3.445 81 S HA -0.221 4.249 4.470 -0.000 0.000 0.319 81 S C 0.677 175.279 174.600 0.003 0.000 1.209 81 S CA 2.215 60.418 58.200 0.005 0.000 0.934 81 S CB -0.904 62.299 63.200 0.005 0.000 0.999 81 S HN 1.130 nan 8.310 nan 0.000 0.582 82 Q N -0.515 119.287 119.800 0.003 0.000 2.445 82 Q HA 0.621 4.960 4.340 -0.000 0.000 0.281 82 Q C -0.673 175.316 176.000 -0.018 0.000 1.101 82 Q CA -0.773 55.028 55.803 -0.005 0.000 0.833 82 Q CB 1.799 30.540 28.738 0.005 0.000 1.416 82 Q HN 0.184 nan 8.270 nan 0.000 0.451 83 T N 1.684 116.213 114.554 -0.041 0.000 2.833 83 T HA 0.456 4.806 4.350 -0.000 0.000 0.297 83 T C -0.544 174.074 174.700 -0.137 0.000 1.015 83 T CA -0.515 61.545 62.100 -0.066 0.000 0.963 83 T CB 0.224 69.059 68.868 -0.054 0.000 0.955 83 T HN 0.255 nan 8.240 nan 0.000 0.449 84 L N 3.571 124.702 121.223 -0.155 0.000 2.312 84 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 84 L C 0.238 176.891 176.870 -0.360 0.000 1.070 84 L CA -0.738 53.905 54.840 -0.329 0.000 0.805 84 L CB 0.904 42.904 42.059 -0.099 0.000 1.174 84 L HN 0.478 nan 8.230 nan 0.000 0.434 85 Q N 1.681 121.111 119.800 -0.616 0.000 2.289 85 Q HA 0.417 4.757 4.340 -0.000 0.000 0.270 85 Q C -0.863 174.878 176.000 -0.432 0.000 1.038 85 Q CA -0.703 54.810 55.803 -0.484 0.000 0.812 85 Q CB 2.927 31.436 28.738 -0.381 0.000 1.300 85 Q HN 0.736 nan 8.270 nan 0.000 0.427 86 T N -1.219 113.138 114.554 -0.329 0.000 2.895 86 T HA 0.773 5.123 4.350 -0.000 0.000 0.283 86 T C -0.638 173.798 174.700 -0.439 0.000 1.014 86 T CA -0.513 61.550 62.100 -0.061 0.000 1.037 86 T CB 0.650 69.602 68.868 0.140 0.000 1.006 86 T HN 0.326 nan 8.240 nan 0.000 0.468 87 F N 1.052 121.118 119.950 0.194 0.000 2.553 87 F HA 0.476 5.003 4.527 -0.000 0.000 0.335 87 F C 1.073 176.980 175.800 0.177 0.000 1.148 87 F CA -0.963 57.129 58.000 0.153 0.000 0.963 87 F CB 2.236 41.314 39.000 0.131 0.000 1.217 87 F HN 0.581 nan 8.300 nan 0.000 0.441 88 K N 1.708 122.268 120.400 0.266 0.000 2.374 88 K HA 0.365 4.685 4.320 -0.000 0.000 0.196 88 K C 0.663 177.371 176.600 0.180 0.000 1.023 88 K CA -0.105 56.314 56.287 0.221 0.000 1.103 88 K CB 0.628 33.235 32.500 0.178 0.000 0.848 88 K HN 0.579 nan 8.250 nan 0.000 0.528 89 A N 2.064 124.990 122.820 0.176 0.000 2.488 89 A HA 0.098 4.418 4.320 -0.000 0.000 0.249 89 A C 0.265 177.916 177.584 0.112 0.000 1.083 89 A CA -0.030 52.076 52.037 0.115 0.000 0.768 89 A CB 0.062 19.115 19.000 0.089 0.000 1.017 89 A HN 0.386 nan 8.150 nan 0.000 0.496 90 R N 0.642 121.191 120.500 0.082 0.000 3.875 90 R HA -0.243 4.097 4.340 -0.000 0.000 0.321 90 R C 1.032 177.444 176.300 0.186 0.000 1.196 90 R CA 1.500 57.646 56.100 0.077 0.000 0.868 90 R CB -2.504 27.807 30.300 0.019 0.000 1.333 90 R HN 1.096 nan 8.270 nan 0.000 0.522 91 Q N 0.088 120.014 119.800 0.209 0.000 2.369 91 Q HA 0.049 4.388 4.340 -0.000 0.000 0.206 91 Q C 1.098 177.267 176.000 0.282 0.000 0.963 91 Q CA 1.183 57.151 55.803 0.275 0.000 0.894 91 Q CB 0.189 29.051 28.738 0.206 0.000 0.965 91 Q HN 0.449 nan 8.270 nan 0.000 0.475 92 G N 1.858 110.792 108.800 0.224 0.000 2.256 92 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.272 92 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.272 92 G C -0.280 174.593 174.900 -0.045 0.000 1.076 92 G CA 0.105 45.318 45.100 0.187 0.000 0.882 92 G HN 0.434 nan 8.290 nan 0.000 0.497 93 L N 0.092 121.264 121.223 -0.084 0.000 2.628 93 L HA 0.471 4.811 4.340 -0.000 0.000 0.274 93 L C 1.479 178.246 176.870 -0.170 0.000 1.209 93 L CA 1.851 56.571 54.840 -0.200 0.000 0.930 93 L CB 0.270 42.124 42.059 -0.341 0.000 1.183 93 L HN 1.739 nan 8.230 nan 0.000 0.492 94 G N 2.943 111.637 108.800 -0.177 0.000 2.131 94 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.223 94 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.223 94 G C 0.826 175.673 174.900 -0.089 0.000 0.990 94 G CA 0.298 45.332 45.100 -0.110 0.000 0.671 94 G HN 1.316 nan 8.290 nan 0.000 0.521 95 A N -0.488 122.220 122.820 -0.186 0.000 2.015 95 A HA 0.525 4.845 4.320 -0.000 0.000 0.219 95 A C 1.614 179.192 177.584 -0.010 0.000 1.163 95 A CA 2.187 54.094 52.037 -0.217 0.000 0.646 95 A CB -0.161 18.535 19.000 -0.508 0.000 0.806 95 A HN 2.094 nan 8.150 nan 0.000 0.448 96 S N -1.355 114.284 115.700 -0.102 0.000 2.546 96 S HA 0.641 5.111 4.470 -0.000 0.000 0.274 96 S C -0.829 173.732 174.600 -0.064 0.000 1.121 96 S CA -0.096 58.064 58.200 -0.068 0.000 0.887 96 S CB 1.621 64.749 63.200 -0.120 0.000 1.094 96 S HN 1.227 nan 8.310 nan 0.000 0.474 97 V N -0.691 119.200 119.914 -0.039 0.000 2.925 97 V HA 1.008 5.128 4.120 -0.000 0.000 0.311 97 V C -0.728 175.362 176.094 -0.007 0.000 1.104 97 V CA -0.778 61.507 62.300 -0.025 0.000 0.954 97 V CB 1.128 32.939 31.823 -0.019 0.000 1.022 97 V HN 1.241 nan 8.190 nan 0.000 0.427 98 V N 2.141 122.069 119.914 0.023 0.000 2.932 98 V HA 0.820 4.940 4.120 -0.000 0.000 0.307 98 V C -0.581 175.585 176.094 0.119 0.000 1.147 98 V CA 0.385 62.722 62.300 0.061 0.000 0.951 98 V CB 2.499 34.351 31.823 0.048 0.000 1.031 98 V HN 1.479 nan 8.190 nan 0.000 0.426 99 S N 5.279 121.084 115.700 0.174 0.000 2.501 99 S HA 0.796 5.266 4.470 -0.000 0.000 0.301 99 S C -1.680 173.120 174.600 0.334 0.000 1.096 99 S CA -0.427 57.929 58.200 0.261 0.000 1.063 99 S CB 1.313 64.710 63.200 0.329 0.000 1.042 99 S HN 1.005 nan 8.310 nan 0.000 0.494 100 W N 4.474 125.864 121.300 0.149 0.000 3.042 100 W HA 0.520 5.180 4.660 -0.000 0.000 0.337 100 W C 0.315 176.901 176.519 0.113 0.000 1.086 100 W CA 0.461 57.871 57.345 0.108 0.000 1.236 100 W CB 1.129 30.636 29.460 0.078 0.000 1.381 100 W HN 0.989 nan 8.180 nan 0.000 0.472 101 S N 2.955 118.139 115.700 -0.861 0.000 4.112 101 S HA -0.391 4.079 4.470 -0.000 0.000 0.602 101 S C 0.737 175.151 174.600 -0.310 0.000 1.939 101 S CA 2.358 60.068 58.200 -0.816 0.000 4.230 101 S CB -1.272 61.067 63.200 -1.435 0.000 0.245 101 S HN 0.976 nan 8.310 nan 0.000 0.530 102 D N 1.758 122.033 120.400 -0.207 0.000 2.427 102 D HA 0.446 5.086 4.640 -0.000 0.000 0.224 102 D C 0.105 176.522 176.300 0.195 0.000 1.157 102 D CA 0.028 54.048 54.000 0.035 0.000 0.828 102 D CB -0.031 40.736 40.800 -0.054 0.000 0.974 102 D HN 0.405 nan 8.370 nan 0.000 0.498 103 V N 0.721 120.772 119.914 0.229 0.000 2.628 103 V HA 0.416 4.536 4.120 -0.000 0.000 0.306 103 V C 0.045 176.276 176.094 0.227 0.000 1.045 103 V CA -0.896 61.564 62.300 0.266 0.000 0.905 103 V CB 2.226 34.295 31.823 0.409 0.000 0.997 103 V HN 0.077 nan 8.190 nan 0.000 0.436 104 I N 3.877 124.527 120.570 0.133 0.000 2.441 104 I HA 0.515 4.685 4.170 -0.000 0.000 0.295 104 I C -0.837 175.375 176.117 0.158 0.000 0.994 104 I CA -0.795 60.556 61.300 0.084 0.000 1.144 104 I CB 2.122 40.099 38.000 -0.039 0.000 1.314 104 I HN 0.257 nan 8.210 nan 0.000 0.445 105 V N 5.665 125.647 119.914 0.113 0.000 2.376 105 V HA 0.627 4.747 4.120 -0.000 0.000 0.287 105 V C 0.004 176.102 176.094 0.007 0.000 1.015 105 V CA -0.502 61.836 62.300 0.063 0.000 0.834 105 V CB 1.367 33.219 31.823 0.048 0.000 1.001 105 V HN 0.804 nan 8.190 nan 0.000 0.428 106 A N 4.282 127.071 122.820 -0.052 0.000 2.318 106 A HA 0.755 5.075 4.320 -0.000 0.000 0.317 106 A C -0.365 177.145 177.584 -0.123 0.000 1.159 106 A CA -0.337 51.627 52.037 -0.122 0.000 0.799 106 A CB 0.969 19.839 19.000 -0.217 0.000 1.194 106 A HN 0.802 nan 8.150 nan 0.000 0.479 107 c N 1.323 119.852 118.600 -0.118 0.000 2.399 107 c HA 0.863 5.433 4.570 -0.000 0.000 0.348 107 c C 0.840 174.839 174.090 -0.151 0.000 1.183 107 c CA -0.094 56.169 56.329 -0.111 0.000 2.023 107 c CB 1.326 43.743 42.510 -0.154 0.000 2.361 107 c HN 1.032 nan 8.230 nan 0.000 0.521 108 A N 2.435 125.187 122.820 -0.112 0.000 2.709 108 A HA 0.576 4.896 4.320 -0.000 0.000 0.332 108 A C -2.049 175.380 177.584 -0.259 0.000 1.241 108 A CA -0.858 51.101 52.037 -0.130 0.000 0.782 108 A CB 0.274 19.328 19.000 0.090 0.000 1.109 108 A HN 0.646 nan 8.150 nan 0.000 0.472 109 P HA -0.072 nan 4.420 nan 0.000 0.223 109 P C 0.490 177.398 177.300 -0.653 0.000 1.151 109 P CA 0.982 63.634 63.100 -0.746 0.000 0.787 109 P CB 0.143 31.111 31.700 -1.220 0.000 0.788 110 W N -0.424 120.871 121.300 -0.008 0.000 3.123 110 W HA 0.335 4.995 4.660 -0.000 0.000 0.383 110 W C 0.446 177.026 176.519 0.102 0.000 1.102 110 W CA -0.511 56.847 57.345 0.022 0.000 1.865 110 W CB -0.945 28.557 29.460 0.069 0.000 1.111 110 W HN 0.079 nan 8.180 nan 0.000 0.621 111 Q N 1.347 121.261 119.800 0.189 0.000 2.286 111 Q HA -0.054 4.286 4.340 -0.000 0.000 0.290 111 Q C -0.639 175.494 176.000 0.222 0.000 1.049 111 Q CA 0.973 56.921 55.803 0.241 0.000 0.923 111 Q CB 0.512 29.344 28.738 0.158 0.000 1.183 111 Q HN 0.135 nan 8.270 nan 0.000 0.383 112 H N 2.626 121.868 119.070 0.286 0.000 2.544 112 H HA 0.520 5.076 4.556 -0.000 0.000 0.342 112 H C -1.207 174.441 175.328 0.533 0.000 1.185 112 H CA -0.301 55.941 56.048 0.323 0.000 1.264 112 H CB 1.093 30.977 29.762 0.204 0.000 1.607 112 H HN 0.664 nan 8.280 nan 0.000 0.550 113 W N 2.286 123.792 121.300 0.343 0.000 3.372 113 W HA 0.354 5.014 4.660 -0.000 0.000 0.315 113 W C -1.925 174.753 176.519 0.266 0.000 1.223 113 W CA -0.398 57.115 57.345 0.279 0.000 1.202 113 W CB 2.135 31.641 29.460 0.077 0.000 1.367 113 W HN 0.532 nan 8.180 nan 0.000 0.531 114 N N 2.412 120.902 118.700 -0.349 0.000 2.416 114 N HA 0.665 5.405 4.740 -0.000 0.000 0.276 114 N C -2.154 172.933 175.510 -0.704 0.000 1.261 114 N CA -0.422 52.411 53.050 -0.361 0.000 0.790 114 N CB 2.695 41.178 38.487 -0.007 0.000 1.554 114 N HN 0.135 nan 8.380 nan 0.000 0.481 115 V N 2.316 122.006 119.914 -0.374 0.000 2.577 115 V HA 0.524 4.643 4.120 -0.000 0.000 0.303 115 V C -0.475 175.558 176.094 -0.101 0.000 1.042 115 V CA -0.663 61.480 62.300 -0.262 0.000 0.872 115 V CB 1.558 33.306 31.823 -0.124 0.000 0.998 115 V HN 0.478 nan 8.190 nan 0.000 0.423 116 L N 3.751 124.926 121.223 -0.080 0.000 2.331 116 L HA 0.759 5.099 4.340 -0.000 0.000 0.275 116 L C -0.222 176.637 176.870 -0.018 0.000 1.022 116 L CA -0.442 54.379 54.840 -0.032 0.000 0.812 116 L CB 1.966 44.010 42.059 -0.024 0.000 1.257 116 L HN 0.673 nan 8.230 nan 0.000 0.435 117 E N 3.213 123.411 120.200 -0.003 0.000 2.378 117 E HA 0.252 4.602 4.350 -0.000 0.000 0.282 117 E C -0.799 175.804 176.600 0.006 0.000 0.910 117 E CA -0.368 56.034 56.400 0.002 0.000 0.816 117 E CB 1.068 30.772 29.700 0.007 0.000 1.359 117 E HN 0.615 nan 8.360 nan 0.000 0.397 118 K N -0.050 120.352 120.400 0.004 0.000 1.699 118 K HA -0.307 4.013 4.320 -0.000 0.000 0.127 118 K C 1.098 177.703 176.600 0.008 0.000 1.157 118 K CA 2.302 58.592 56.287 0.006 0.000 0.341 118 K CB -1.519 30.985 32.500 0.007 0.000 0.645 118 K HN 0.653 nan 8.250 nan 0.000 0.848 119 T N 0.011 114.571 114.554 0.011 0.000 3.107 119 T HA 0.142 4.492 4.350 -0.000 0.000 0.249 119 T C 0.418 175.129 174.700 0.019 0.000 1.096 119 T CA 0.354 62.463 62.100 0.014 0.000 1.012 119 T CB 0.026 68.903 68.868 0.014 0.000 0.977 119 T HN 0.331 nan 8.240 nan 0.000 0.527 120 E N 1.119 121.331 120.200 0.020 0.000 2.239 120 E HA 0.590 4.940 4.350 -0.000 0.000 0.261 120 E C -0.395 176.222 176.600 0.029 0.000 1.016 120 E CA -0.923 55.494 56.400 0.029 0.000 0.882 120 E CB 1.212 30.931 29.700 0.031 0.000 1.190 120 E HN 0.709 nan 8.360 nan 0.000 0.415 121 E N -1.003 119.223 120.200 0.044 0.000 2.423 121 E HA 0.520 4.870 4.350 -0.000 0.000 0.280 121 E C -0.554 176.095 176.600 0.081 0.000 1.030 121 E CA -0.790 55.636 56.400 0.042 0.000 0.812 121 E CB 1.033 30.751 29.700 0.030 0.000 1.313 121 E HN 0.390 nan 8.360 nan 0.000 0.456 122 A N 1.259 124.127 122.820 0.080 0.000 2.014 122 A HA 0.027 4.346 4.320 -0.000 0.000 0.218 122 A C 0.092 177.749 177.584 0.122 0.000 1.163 122 A CA 1.545 53.671 52.037 0.148 0.000 0.652 122 A CB -0.730 18.363 19.000 0.155 0.000 0.808 122 A HN 0.673 nan 8.150 nan 0.000 0.449 123 E N -1.997 118.250 120.200 0.080 0.000 7.552 123 E HA -0.080 4.270 4.350 -0.000 0.000 0.418 123 E C -0.749 175.895 176.600 0.072 0.000 0.537 123 E CA 0.062 56.510 56.400 0.079 0.000 1.114 123 E CB -0.383 29.386 29.700 0.115 0.000 0.948 123 E HN 0.461 nan 8.360 nan 0.000 0.262 124 K N 2.778 123.209 120.400 0.052 0.000 2.315 124 K HA 0.244 4.564 4.320 -0.000 0.000 0.291 124 K C -0.542 176.179 176.600 0.201 0.000 1.074 124 K CA 0.625 56.948 56.287 0.059 0.000 0.936 124 K CB 0.339 32.771 32.500 -0.112 0.000 1.049 124 K HN 0.467 nan 8.250 nan 0.000 0.471 125 T N 1.215 115.909 114.554 0.234 0.000 2.903 125 T HA 0.448 4.798 4.350 -0.000 0.000 0.299 125 T C -2.873 171.727 174.700 -0.167 0.000 1.093 125 T CA -2.130 60.054 62.100 0.140 0.000 1.002 125 T CB 1.919 70.831 68.868 0.073 0.000 1.127 125 T HN 0.316 nan 8.240 nan 0.000 0.488 126 P HA 0.224 nan 4.420 nan 0.000 0.256 126 P C 1.295 178.458 177.300 -0.227 0.000 1.689 126 P CA -0.529 62.247 63.100 -0.540 0.000 1.124 126 P CB 0.313 31.802 31.700 -0.352 0.000 1.766 127 V N 0.513 120.315 119.914 -0.186 0.000 2.871 127 V HA 0.237 4.357 4.120 -0.000 0.000 0.256 127 V C 1.019 176.958 176.094 -0.259 0.000 1.082 127 V CA 0.883 63.037 62.300 -0.243 0.000 1.105 127 V CB -1.821 29.819 31.823 -0.305 0.000 0.713 127 V HN 0.663 nan 8.190 nan 0.000 0.473 128 G N -0.304 108.374 108.800 -0.203 0.000 2.846 128 G HA2 0.090 4.049 3.960 -0.000 0.000 0.660 128 G HA3 0.090 4.049 3.960 -0.000 0.000 0.660 128 G C -0.344 174.409 174.900 -0.245 0.000 1.464 128 G CA 0.091 45.061 45.100 -0.217 0.000 0.891 128 G HN 1.648 nan 8.290 nan 0.000 0.552 129 S N -1.707 113.856 115.700 -0.229 0.000 2.565 129 S HA 0.609 5.079 4.470 -0.000 0.000 0.274 129 S C -0.604 173.845 174.600 -0.251 0.000 1.144 129 S CA 0.144 58.167 58.200 -0.295 0.000 0.849 129 S CB 1.095 64.106 63.200 -0.316 0.000 1.103 129 S HN 1.575 nan 8.310 nan 0.000 0.455 130 c N 3.255 121.677 118.600 -0.297 0.000 2.456 130 c HA 0.762 5.332 4.570 -0.000 0.000 0.325 130 c C -1.007 172.880 174.090 -0.338 0.000 1.217 130 c CA -0.615 55.602 56.329 -0.186 0.000 1.687 130 c CB 0.168 42.623 42.510 -0.092 0.000 2.270 130 c HN 0.743 nan 8.230 nan 0.000 0.499 131 F N 2.670 122.416 119.950 -0.338 0.000 2.436 131 F HA 0.702 5.229 4.527 -0.000 0.000 0.340 131 F C -0.045 175.582 175.800 -0.288 0.000 1.113 131 F CA -0.646 57.095 58.000 -0.433 0.000 1.022 131 F CB 0.892 39.324 39.000 -0.948 0.000 1.128 131 F HN 0.182 nan 8.300 nan 0.000 0.466 132 L N 3.187 124.397 121.223 -0.021 0.000 2.346 132 L HA 0.853 5.193 4.340 -0.000 0.000 0.276 132 L C -0.442 176.613 176.870 0.309 0.000 1.006 132 L CA -0.520 54.349 54.840 0.047 0.000 0.817 132 L CB 1.896 43.763 42.059 -0.319 0.000 1.272 132 L HN 0.727 nan 8.230 nan 0.000 0.421 133 A N 2.557 125.630 122.820 0.421 0.000 2.422 133 A HA 0.687 5.007 4.320 -0.000 0.000 0.302 133 A C -1.039 176.711 177.584 0.276 0.000 1.041 133 A CA -0.506 51.743 52.037 0.354 0.000 0.708 133 A CB 1.590 20.718 19.000 0.215 0.000 1.257 133 A HN 0.649 nan 8.150 nan 0.000 0.414 134 Q N 3.272 123.187 119.800 0.190 0.000 2.571 134 Q HA 0.350 4.690 4.340 -0.000 0.000 0.243 134 Q C -2.103 173.914 176.000 0.028 0.000 1.055 134 Q CA -2.038 53.805 55.803 0.066 0.000 0.815 134 Q CB 1.150 29.842 28.738 -0.077 0.000 1.151 134 Q HN 0.458 nan 8.270 nan 0.000 0.519 135 P HA -0.208 nan 4.420 nan 0.000 0.216 135 P C 0.122 177.436 177.300 0.023 0.000 1.153 135 P CA 1.394 64.498 63.100 0.006 0.000 0.858 135 P CB 0.293 32.002 31.700 0.015 0.000 0.789 136 E N -0.828 119.398 120.200 0.043 0.000 2.472 136 E HA -0.077 4.273 4.350 -0.000 0.000 0.200 136 E C 1.512 178.116 176.600 0.008 0.000 1.046 136 E CA 1.241 57.661 56.400 0.034 0.000 0.871 136 E CB -0.207 29.511 29.700 0.030 0.000 0.806 136 E HN 0.393 nan 8.360 nan 0.000 0.533 137 S N -2.254 113.442 115.700 -0.005 0.000 2.593 137 S HA 0.284 4.754 4.470 -0.000 0.000 0.235 137 S C 1.577 176.175 174.600 -0.003 0.000 1.059 137 S CA 0.256 58.448 58.200 -0.013 0.000 0.953 137 S CB 1.017 64.194 63.200 -0.037 0.000 0.897 137 S HN 0.268 nan 8.310 nan 0.000 0.507 138 G N 1.847 110.647 108.800 0.000 0.000 2.176 138 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 138 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 138 G C 0.126 175.049 174.900 0.037 0.000 0.979 138 G CA -0.054 45.048 45.100 0.003 0.000 0.641 138 G HN 0.578 nan 8.290 nan 0.000 0.530 139 R N 0.400 120.932 120.500 0.055 0.000 2.623 139 R HA 0.438 4.778 4.340 -0.000 0.000 0.271 139 R C 0.322 176.783 176.300 0.268 0.000 1.043 139 R CA 0.237 56.419 56.100 0.136 0.000 1.083 139 R CB 0.302 30.639 30.300 0.062 0.000 0.974 139 R HN 0.141 nan 8.270 nan 0.000 0.436 140 R N 0.599 121.281 120.500 0.303 0.000 2.744 140 R HA 0.695 5.035 4.340 -0.000 0.000 0.279 140 R C -1.034 175.339 176.300 0.122 0.000 0.977 140 R CA -0.839 55.418 56.100 0.262 0.000 0.906 140 R CB 2.328 32.743 30.300 0.193 0.000 1.197 140 R HN 0.751 nan 8.270 nan 0.000 0.463 141 A N 1.310 123.973 122.820 -0.262 0.000 2.593 141 A HA 0.733 5.053 4.320 -0.000 0.000 0.290 141 A C -1.301 175.715 177.584 -0.946 0.000 1.126 141 A CA -0.680 50.848 52.037 -0.850 0.000 0.695 141 A CB 2.038 20.449 19.000 -0.981 0.000 1.290 141 A HN 0.635 nan 8.150 nan 0.000 0.414 142 E N -1.073 118.396 120.200 -1.219 0.000 2.416 142 E HA 0.587 4.937 4.350 -0.000 0.000 0.273 142 E C -2.186 174.389 176.600 -0.040 0.000 0.935 142 E CA -0.572 55.449 56.400 -0.632 0.000 0.784 142 E CB 2.641 31.960 29.700 -0.634 0.000 1.301 142 E HN 0.553 nan 8.360 nan 0.000 0.454 143 Y N 0.304 120.487 120.300 -0.194 0.000 2.358 143 Y HA 0.377 4.927 4.550 -0.000 0.000 0.324 143 Y C -1.354 174.380 175.900 -0.276 0.000 1.123 143 Y CA -0.708 57.311 58.100 -0.135 0.000 1.067 143 Y CB 2.056 40.414 38.460 -0.170 0.000 1.230 143 Y HN 0.397 nan 8.280 nan 0.000 0.429 144 S N 8.370 123.610 115.700 -0.767 0.000 2.317 144 S HA 0.307 4.776 4.470 -0.000 0.000 0.144 144 S C -2.225 171.828 174.600 -0.912 0.000 1.660 144 S CA -1.004 56.734 58.200 -0.770 0.000 1.273 144 S CB 0.535 63.392 63.200 -0.571 0.000 1.330 144 S HN 0.604 nan 8.310 nan 0.000 0.395 145 P HA 0.063 nan 4.420 nan 0.000 0.226 145 P C 0.958 177.928 177.300 -0.550 0.000 1.153 145 P CA 0.645 63.267 63.100 -0.795 0.000 0.777 145 P CB -0.144 31.111 31.700 -0.741 0.000 0.794 146 c N -0.805 117.468 118.600 -0.545 0.000 2.673 146 c HA 0.207 4.777 4.570 -0.000 0.000 0.264 146 c C 1.420 175.223 174.090 -0.477 0.000 1.304 146 c CA -0.445 55.618 56.329 -0.443 0.000 1.727 146 c CB -1.251 41.012 42.510 -0.412 0.000 1.932 146 c HN 0.192 nan 8.230 nan 0.000 0.563 147 R N 1.212 121.300 120.500 -0.687 0.000 2.585 147 R HA 0.392 4.731 4.340 -0.000 0.000 0.275 147 R C 0.505 176.516 176.300 -0.482 0.000 1.018 147 R CA 0.601 56.117 56.100 -0.973 0.000 1.072 147 R CB 0.186 29.566 30.300 -1.534 0.000 0.953 147 R HN 0.534 nan 8.270 nan 0.000 0.419 148 G N 0.577 109.308 108.800 -0.114 0.000 2.818 148 G HA2 0.212 4.171 3.960 -0.000 0.000 0.286 148 G HA3 0.212 4.171 3.960 -0.000 0.000 0.286 148 G C -0.544 174.562 174.900 0.342 0.000 1.364 148 G CA -0.708 44.458 45.100 0.111 0.000 0.938 148 G HN 0.691 nan 8.290 nan 0.000 0.490 149 N N -0.976 117.852 118.700 0.213 0.000 2.365 149 N HA 0.150 4.890 4.740 -0.000 0.000 0.257 149 N C -0.265 175.314 175.510 0.116 0.000 1.287 149 N CA -0.319 52.845 53.050 0.191 0.000 0.882 149 N CB 0.735 39.307 38.487 0.142 0.000 1.250 149 N HN 0.231 nan 8.380 nan 0.000 0.507 150 T N 1.400 116.029 114.554 0.125 0.000 2.845 150 T HA 0.406 4.756 4.350 -0.000 0.000 0.288 150 T C 0.526 175.299 174.700 0.121 0.000 0.980 150 T CA -0.475 61.634 62.100 0.016 0.000 1.071 150 T CB 1.338 70.076 68.868 -0.217 0.000 0.941 150 T HN 0.097 nan 8.240 nan 0.000 0.487 151 L N 1.767 123.020 121.223 0.050 0.000 2.439 151 L HA 0.253 4.593 4.340 -0.000 0.000 0.261 151 L C 2.066 179.051 176.870 0.192 0.000 1.153 151 L CA -0.407 54.500 54.840 0.111 0.000 0.808 151 L CB 0.642 42.732 42.059 0.053 0.000 1.126 151 L HN 0.696 nan 8.230 nan 0.000 0.460 152 S N 0.983 116.825 115.700 0.236 0.000 2.372 152 S HA -0.247 4.223 4.470 -0.000 0.000 0.227 152 S C 2.028 176.752 174.600 0.206 0.000 1.044 152 S CA 1.961 60.335 58.200 0.289 0.000 1.050 152 S CB -0.211 63.103 63.200 0.191 0.000 0.901 152 S HN 0.685 nan 8.310 nan 0.000 0.447 153 R N 0.139 120.700 120.500 0.102 0.000 2.127 153 R HA -0.076 4.263 4.340 -0.000 0.000 0.238 153 R C 1.968 178.255 176.300 -0.021 0.000 1.134 153 R CA 1.709 57.832 56.100 0.038 0.000 0.975 153 R CB -0.283 30.032 30.300 0.024 0.000 0.865 153 R HN 0.426 nan 8.270 nan 0.000 0.447 154 I N 0.163 120.700 120.570 -0.056 0.000 2.286 154 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 154 I C 1.795 177.780 176.117 -0.219 0.000 1.104 154 I CA 1.208 62.414 61.300 -0.156 0.000 1.397 154 I CB -1.334 36.530 38.000 -0.227 0.000 1.072 154 I HN 0.142 nan 8.210 nan 0.000 0.417 155 Y N 1.031 121.249 120.300 -0.137 0.000 2.165 155 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 155 Y C 2.763 178.243 175.900 -0.701 0.000 1.155 155 Y CA 1.259 59.186 58.100 -0.289 0.000 1.164 155 Y CB -1.183 37.181 38.460 -0.159 0.000 0.978 155 Y HN -0.111 nan 8.280 nan 0.000 0.513 156 V N 0.120 119.759 119.914 -0.458 0.000 2.343 156 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 156 V C 1.936 177.870 176.094 -0.268 0.000 1.051 156 V CA 2.158 64.156 62.300 -0.504 0.000 1.036 156 V CB -0.571 31.176 31.823 -0.126 0.000 0.654 156 V HN 0.424 nan 8.190 nan 0.000 0.451 157 E N 0.195 120.299 120.200 -0.160 0.000 2.268 157 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 157 E C 1.101 177.649 176.600 -0.086 0.000 0.995 157 E CA 0.744 57.089 56.400 -0.092 0.000 0.836 157 E CB -0.074 29.586 29.700 -0.066 0.000 0.763 157 E HN 0.556 nan 8.360 nan 0.000 0.491 158 N N 1.061 119.690 118.700 -0.119 0.000 2.238 158 N HA -0.009 4.731 4.740 -0.000 0.000 0.222 158 N C -0.833 174.653 175.510 -0.039 0.000 1.133 158 N CA 0.206 53.222 53.050 -0.057 0.000 0.854 158 N CB 0.688 39.157 38.487 -0.031 0.000 1.041 158 N HN 0.001 nan 8.380 nan 0.000 0.510 159 D N 0.596 120.942 120.400 -0.089 0.000 2.751 159 D HA -0.237 4.403 4.640 -0.000 0.000 0.233 159 D C -0.336 176.069 176.300 0.175 0.000 1.149 159 D CA 0.521 54.545 54.000 0.039 0.000 0.682 159 D CB -1.520 39.324 40.800 0.075 0.000 1.068 159 D HN 0.332 nan 8.370 nan 0.000 0.429 160 F N -2.090 117.932 119.950 0.119 0.000 3.057 160 F HA -0.297 4.230 4.527 -0.000 0.000 0.287 160 F C 1.240 177.123 175.800 0.138 0.000 0.834 160 F CA 0.824 58.935 58.000 0.184 0.000 1.147 160 F CB -2.444 36.590 39.000 0.057 0.000 1.245 160 F HN 0.141 nan 8.300 nan 0.000 0.509 161 S N -1.542 114.273 115.700 0.191 0.000 2.576 161 S HA 0.302 4.772 4.470 -0.000 0.000 0.276 161 S C 0.185 174.919 174.600 0.224 0.000 1.339 161 S CA 0.010 58.227 58.200 0.028 0.000 1.039 161 S CB 0.340 63.561 63.200 0.036 0.000 0.902 161 S HN 0.491 nan 8.310 nan 0.000 0.516 162 W N -0.398 120.986 121.300 0.141 0.000 5.770 162 W HA -0.161 4.499 4.660 -0.000 0.000 0.389 162 W C -0.271 176.494 176.519 0.410 0.000 1.469 162 W CA 0.589 58.092 57.345 0.263 0.000 0.975 162 W CB -1.904 27.648 29.460 0.152 0.000 2.622 162 W HN 0.814 nan 8.180 nan 0.000 1.500 163 D N 1.111 121.813 120.400 0.503 0.000 2.393 163 D HA 0.185 4.825 4.640 -0.000 0.000 0.232 163 D C 0.828 177.122 176.300 -0.011 0.000 1.192 163 D CA 0.012 54.175 54.000 0.270 0.000 0.882 163 D CB 0.583 41.555 40.800 0.287 0.000 1.038 163 D HN 0.245 nan 8.370 nan 0.000 0.499 164 K N 2.630 122.962 120.400 -0.113 0.000 2.437 164 K HA 0.179 4.499 4.320 -0.000 0.000 0.205 164 K C 1.490 177.794 176.600 -0.494 0.000 1.026 164 K CA -0.215 55.886 56.287 -0.311 0.000 1.153 164 K CB 0.836 33.207 32.500 -0.215 0.000 0.863 164 K HN 0.208 nan 8.250 nan 0.000 0.502 165 R N -0.025 119.996 120.500 -0.797 0.000 2.189 165 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 165 R C 0.491 176.283 176.300 -0.846 0.000 1.092 165 R CA 1.200 56.784 56.100 -0.860 0.000 0.989 165 R CB 0.034 29.715 30.300 -1.031 0.000 0.876 165 R HN 0.275 nan 8.270 nan 0.000 0.457 166 Y N -2.797 117.280 120.300 -0.372 0.000 2.696 166 Y HA 0.222 4.772 4.550 -0.000 0.000 0.260 166 Y C 1.556 177.239 175.900 -0.362 0.000 1.165 166 Y CA -1.240 56.623 58.100 -0.395 0.000 1.189 166 Y CB -0.757 37.303 38.460 -0.666 0.000 1.180 166 Y HN -0.076 nan 8.280 nan 0.000 0.538 167 c N 0.837 119.254 118.600 -0.304 0.000 2.385 167 c HA -0.264 4.306 4.570 -0.000 0.000 0.275 167 c C 1.345 175.313 174.090 -0.203 0.000 1.207 167 c CA 1.872 58.034 56.329 -0.278 0.000 1.760 167 c CB -0.820 41.495 42.510 -0.325 0.000 2.051 167 c HN 0.725 nan 8.230 nan 0.000 0.467 168 E N -0.668 119.420 120.200 -0.186 0.000 2.252 168 E HA -0.221 4.129 4.350 -0.000 0.000 0.218 168 E C 0.145 176.628 176.600 -0.195 0.000 1.253 168 E CA 0.046 56.339 56.400 -0.178 0.000 0.705 168 E CB -1.470 28.189 29.700 -0.070 0.000 1.172 168 E HN 0.778 nan 8.360 nan 0.000 0.369 169 A N 0.220 122.896 122.820 -0.240 0.000 2.540 169 A HA 0.386 4.706 4.320 -0.000 0.000 0.239 169 A C 1.681 179.133 177.584 -0.219 0.000 1.061 169 A CA 1.070 52.963 52.037 -0.240 0.000 0.758 169 A CB 0.187 18.994 19.000 -0.321 0.000 0.991 169 A HN 1.131 nan 8.150 nan 0.000 0.502 170 G N 1.034 109.733 108.800 -0.167 0.000 2.175 170 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 170 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 170 G C 0.778 175.574 174.900 -0.174 0.000 0.982 170 G CA 0.775 45.776 45.100 -0.164 0.000 0.641 170 G HN 1.220 nan 8.290 nan 0.000 0.527 171 F N 2.654 122.409 119.950 -0.326 0.000 2.115 171 F HA 0.067 4.594 4.527 -0.000 0.000 0.300 171 F C 1.734 177.380 175.800 -0.256 0.000 1.092 171 F CA 2.533 60.326 58.000 -0.346 0.000 1.245 171 F CB 0.027 38.834 39.000 -0.320 0.000 0.995 171 F HN 0.638 nan 8.300 nan 0.000 0.481 172 S N -1.150 114.574 115.700 0.040 0.000 2.632 172 S HA 0.727 5.197 4.470 -0.000 0.000 0.289 172 S C -0.605 173.951 174.600 -0.075 0.000 1.115 172 S CA -0.090 58.086 58.200 -0.040 0.000 0.889 172 S CB 1.969 65.168 63.200 -0.000 0.000 1.116 172 S HN 0.432 nan 8.310 nan 0.000 0.486 173 S N -0.238 115.413 115.700 -0.082 0.000 2.547 173 S HA 0.837 5.307 4.470 -0.000 0.000 0.270 173 S C -1.289 173.270 174.600 -0.069 0.000 1.150 173 S CA -0.662 57.489 58.200 -0.081 0.000 0.850 173 S CB 1.174 64.331 63.200 -0.071 0.000 1.118 173 S HN 1.913 nan 8.310 nan 0.000 0.461 174 V N 0.873 120.742 119.914 -0.076 0.000 3.204 174 V HA 0.790 4.910 4.120 -0.000 0.000 0.298 174 V C -1.826 174.228 176.094 -0.066 0.000 1.328 174 V CA -0.522 61.746 62.300 -0.052 0.000 1.035 174 V CB 2.136 33.925 31.823 -0.056 0.000 1.095 174 V HN 1.156 nan 8.190 nan 0.000 0.442 175 V N 3.361 123.254 119.914 -0.035 0.000 2.588 175 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 175 V C 0.376 176.420 176.094 -0.082 0.000 1.042 175 V CA -0.076 62.160 62.300 -0.106 0.000 0.877 175 V CB 1.928 33.686 31.823 -0.109 0.000 0.996 175 V HN 1.110 nan 8.190 nan 0.000 0.425 176 T N 1.205 115.680 114.554 -0.132 0.000 2.766 176 T HA 0.123 4.473 4.350 -0.000 0.000 0.295 176 T C 0.949 175.618 174.700 -0.051 0.000 1.024 176 T CA -0.282 61.790 62.100 -0.046 0.000 1.018 176 T CB 0.803 69.661 68.868 -0.018 0.000 1.002 176 T HN 0.583 nan 8.240 nan 0.000 0.532 177 Q N 0.550 120.398 119.800 0.079 0.000 2.170 177 Q HA -0.039 4.301 4.340 -0.000 0.000 0.203 177 Q C 2.480 178.631 176.000 0.251 0.000 0.976 177 Q CA 1.634 57.566 55.803 0.217 0.000 0.858 177 Q CB -0.866 27.970 28.738 0.164 0.000 0.907 177 Q HN 0.930 nan 8.270 nan 0.000 0.433 178 A N -0.036 122.822 122.820 0.063 0.000 2.206 178 A HA 0.276 4.596 4.320 -0.000 0.000 0.211 178 A C 1.380 178.857 177.584 -0.178 0.000 1.158 178 A CA 1.028 53.085 52.037 0.034 0.000 0.761 178 A CB -0.177 18.820 19.000 -0.006 0.000 0.801 178 A HN 0.432 nan 8.150 nan 0.000 0.473 179 G N -0.556 107.853 108.800 -0.651 0.000 2.141 179 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.195 179 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.195 179 G C -0.423 173.998 174.900 -0.799 0.000 1.012 179 G CA 0.068 44.241 45.100 -1.545 0.000 0.696 179 G HN 0.543 nan 8.290 nan 0.000 0.508 180 E N -0.145 119.767 120.200 -0.480 0.000 2.130 180 E HA 0.529 4.879 4.350 -0.000 0.000 0.284 180 E C 0.295 176.724 176.600 -0.286 0.000 1.018 180 E CA -0.764 55.456 56.400 -0.300 0.000 0.817 180 E CB 1.604 31.211 29.700 -0.155 0.000 1.078 180 E HN 0.300 nan 8.360 nan 0.000 0.396 181 L N 4.610 125.671 121.223 -0.270 0.000 2.360 181 L HA 0.238 4.577 4.340 -0.000 0.000 0.276 181 L C -1.123 175.644 176.870 -0.171 0.000 1.121 181 L CA -0.209 54.508 54.840 -0.206 0.000 0.845 181 L CB 0.840 42.782 42.059 -0.195 0.000 1.143 181 L HN 0.302 nan 8.230 nan 0.000 0.452 182 V N 6.998 126.809 119.914 -0.173 0.000 2.409 182 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 182 V C -0.032 175.968 176.094 -0.156 0.000 1.020 182 V CA -0.584 61.588 62.300 -0.214 0.000 0.848 182 V CB 1.382 32.961 31.823 -0.406 0.000 0.990 182 V HN 0.611 nan 8.190 nan 0.000 0.430 183 L N 4.086 125.242 121.223 -0.112 0.000 2.307 183 L HA 0.732 5.072 4.340 -0.000 0.000 0.284 183 L C 0.856 177.649 176.870 -0.129 0.000 1.023 183 L CA -0.475 54.303 54.840 -0.103 0.000 0.810 183 L CB 1.741 43.753 42.059 -0.078 0.000 1.231 183 L HN 0.739 nan 8.230 nan 0.000 0.423 184 G N 1.699 110.428 108.800 -0.119 0.000 2.372 184 G HA2 0.550 4.510 3.960 -0.000 0.000 0.283 184 G HA3 0.550 4.510 3.960 -0.000 0.000 0.283 184 G C -0.373 174.468 174.900 -0.098 0.000 1.177 184 G CA -0.223 44.808 45.100 -0.114 0.000 0.842 184 G HN 0.737 nan 8.290 nan 0.000 0.503 185 A N 4.438 127.190 122.820 -0.113 0.000 3.082 185 A HA 0.641 4.961 4.320 -0.000 0.000 0.328 185 A C -1.481 176.026 177.584 -0.129 0.000 1.089 185 A CA -1.073 50.874 52.037 -0.150 0.000 0.802 185 A CB 1.512 20.392 19.000 -0.201 0.000 1.138 185 A HN 0.444 nan 8.150 nan 0.000 0.474 186 P HA -0.078 nan 4.420 nan 0.000 0.225 186 P C 1.295 178.637 177.300 0.071 0.000 1.148 186 P CA 1.647 64.702 63.100 -0.076 0.000 0.779 186 P CB 0.186 31.643 31.700 -0.405 0.000 0.780 187 G N -0.239 108.530 108.800 -0.052 0.000 2.985 187 G HA2 0.160 4.120 3.960 -0.000 0.000 0.209 187 G HA3 0.160 4.120 3.960 -0.000 0.000 0.209 187 G C 0.858 175.617 174.900 -0.235 0.000 1.165 187 G CA 0.055 45.113 45.100 -0.069 0.000 0.776 187 G HN 0.393 nan 8.290 nan 0.000 0.541 188 G N -0.694 107.995 108.800 -0.185 0.000 2.484 188 G HA2 0.277 4.237 3.960 -0.000 0.000 0.235 188 G HA3 0.277 4.237 3.960 -0.000 0.000 0.235 188 G C 0.045 174.828 174.900 -0.195 0.000 1.282 188 G CA -0.336 44.560 45.100 -0.340 0.000 0.857 188 G HN 0.387 nan 8.290 nan 0.000 0.571 189 Y N -0.626 119.623 120.300 -0.084 0.000 3.078 189 Y HA -0.228 4.322 4.550 -0.000 0.000 0.202 189 Y C 0.755 176.677 175.900 0.038 0.000 1.322 189 Y CA 0.760 58.831 58.100 -0.050 0.000 1.118 189 Y CB -2.831 35.551 38.460 -0.128 0.000 1.343 189 Y HN 0.887 nan 8.280 nan 0.000 0.499 190 Y N -1.227 119.079 120.300 0.011 0.000 3.234 190 Y HA -0.229 4.321 4.550 -0.000 0.000 0.207 190 Y C 0.727 176.611 175.900 -0.027 0.000 1.316 190 Y CA 1.020 59.075 58.100 -0.074 0.000 1.309 190 Y CB -1.824 36.623 38.460 -0.023 0.000 1.408 190 Y HN 0.461 nan 8.280 nan 0.000 0.544 191 F N -4.146 115.913 119.950 0.182 0.000 2.746 191 F HA -0.399 4.128 4.527 -0.000 0.000 0.315 191 F C 1.164 177.091 175.800 0.212 0.000 0.666 191 F CA 0.617 58.742 58.000 0.208 0.000 1.381 191 F CB -1.977 37.144 39.000 0.202 0.000 1.739 191 F HN 0.188 nan 8.300 nan 0.000 0.322 192 L N 0.069 121.463 121.223 0.286 0.000 2.027 192 L HA 0.376 4.715 4.340 -0.000 0.000 0.206 192 L C 1.641 178.714 176.870 0.338 0.000 1.074 192 L CA 1.960 56.971 54.840 0.285 0.000 0.745 192 L CB -0.949 41.245 42.059 0.225 0.000 0.898 192 L HN 0.573 nan 8.230 nan 0.000 0.433 193 G N -0.753 108.206 108.800 0.266 0.000 2.674 193 G HA2 0.269 4.229 3.960 -0.000 0.000 0.686 193 G HA3 0.269 4.229 3.960 -0.000 0.000 0.686 193 G C -1.415 173.647 174.900 0.271 0.000 1.195 193 G CA -0.470 44.803 45.100 0.288 0.000 0.776 193 G HN 0.444 nan 8.290 nan 0.000 0.654 194 L N -0.970 120.361 121.223 0.180 0.000 2.479 194 L HA 1.007 5.347 4.340 -0.000 0.000 0.255 194 L C -1.056 175.880 176.870 0.109 0.000 1.026 194 L CA -1.474 53.445 54.840 0.133 0.000 0.842 194 L CB 1.617 43.481 42.059 -0.325 0.000 1.444 194 L HN 0.731 nan 8.230 nan 0.000 0.409 195 L N 1.692 122.950 121.223 0.058 0.000 2.334 195 L HA 0.947 5.287 4.340 -0.000 0.000 0.276 195 L C -0.150 176.633 176.870 -0.145 0.000 1.014 195 L CA -0.235 54.547 54.840 -0.097 0.000 0.815 195 L CB 1.794 43.796 42.059 -0.095 0.000 1.268 195 L HN 1.003 nan 8.230 nan 0.000 0.428 196 A N 3.350 126.119 122.820 -0.085 0.000 2.330 196 A HA 0.718 5.038 4.320 -0.000 0.000 0.313 196 A C -1.068 176.550 177.584 0.057 0.000 1.124 196 A CA -0.489 51.541 52.037 -0.013 0.000 0.774 196 A CB 1.330 20.287 19.000 -0.072 0.000 1.198 196 A HN 0.544 nan 8.150 nan 0.000 0.465 197 Q N 1.541 121.405 119.800 0.106 0.000 2.353 197 Q HA 0.755 5.095 4.340 -0.000 0.000 0.268 197 Q C -1.364 174.629 176.000 -0.013 0.000 1.045 197 Q CA -0.445 55.374 55.803 0.027 0.000 0.811 197 Q CB 2.070 30.838 28.738 0.050 0.000 1.305 197 Q HN 1.327 nan 8.270 nan 0.000 0.447 198 A N 4.510 127.238 122.820 -0.154 0.000 2.589 198 A HA 0.675 4.995 4.320 -0.000 0.000 0.296 198 A C -2.824 174.599 177.584 -0.269 0.000 1.062 198 A CA -1.236 50.655 52.037 -0.242 0.000 0.686 198 A CB 1.674 20.394 19.000 -0.467 0.000 1.282 198 A HN 0.546 nan 8.150 nan 0.000 0.404 199 P HA 0.223 nan 4.420 nan 0.000 0.271 199 P C 1.075 178.263 177.300 -0.186 0.000 1.216 199 P CA -0.116 62.868 63.100 -0.193 0.000 0.771 199 P CB 0.819 32.449 31.700 -0.117 0.000 0.864 200 V N 3.362 123.158 119.914 -0.197 0.000 2.332 200 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 200 V C 2.362 178.551 176.094 0.159 0.000 1.055 200 V CA 2.709 64.984 62.300 -0.041 0.000 1.038 200 V CB -1.555 30.279 31.823 0.018 0.000 0.651 200 V HN 0.663 nan 8.190 nan 0.000 0.450 201 A N 0.031 122.925 122.820 0.123 0.000 1.908 201 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 201 A C 1.968 179.645 177.584 0.155 0.000 1.181 201 A CA 2.220 54.359 52.037 0.170 0.000 0.627 201 A CB -0.598 18.467 19.000 0.108 0.000 0.818 201 A HN 0.562 nan 8.150 nan 0.000 0.445 202 D N -0.342 120.099 120.400 0.069 0.000 2.234 202 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 202 D C 1.824 178.168 176.300 0.073 0.000 0.962 202 D CA 0.667 54.703 54.000 0.061 0.000 0.855 202 D CB -0.281 40.528 40.800 0.015 0.000 0.951 202 D HN 0.535 nan 8.370 nan 0.000 0.500 203 I N 0.021 120.589 120.570 -0.004 0.000 2.179 203 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 203 I C 2.019 178.152 176.117 0.026 0.000 1.088 203 I CA 0.892 62.166 61.300 -0.044 0.000 1.357 203 I CB -0.183 37.650 38.000 -0.278 0.000 1.051 203 I HN -0.113 nan 8.210 nan 0.000 0.409 204 F N 1.134 121.118 119.950 0.057 0.000 2.134 204 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 204 F C 2.940 178.792 175.800 0.086 0.000 1.097 204 F CA 1.808 59.854 58.000 0.076 0.000 1.264 204 F CB -0.608 38.429 39.000 0.063 0.000 1.001 204 F HN 0.117 nan 8.300 nan 0.000 0.479 205 S N -1.379 114.477 115.700 0.260 0.000 2.489 205 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 205 S C 1.773 176.444 174.600 0.118 0.000 0.995 205 S CA 0.795 59.093 58.200 0.162 0.000 0.934 205 S CB -0.678 62.596 63.200 0.124 0.000 0.771 205 S HN 0.344 nan 8.310 nan 0.000 0.522 206 S N -0.767 115.019 115.700 0.143 0.000 2.511 206 S HA 0.244 4.714 4.470 -0.000 0.000 0.214 206 S C 0.154 174.706 174.600 -0.079 0.000 0.997 206 S CA -0.770 57.510 58.200 0.134 0.000 0.908 206 S CB -0.655 62.726 63.200 0.302 0.000 0.803 206 S HN 0.588 nan 8.310 nan 0.000 0.504 207 Y N 3.265 123.410 120.300 -0.258 0.000 2.316 207 Y HA 0.615 5.165 4.550 -0.000 0.000 0.331 207 Y C 0.015 175.646 175.900 -0.450 0.000 1.083 207 Y CA -0.710 57.004 58.100 -0.643 0.000 1.206 207 Y CB 0.507 38.696 38.460 -0.452 0.000 1.195 207 Y HN 0.019 nan 8.280 nan 0.000 0.497 208 R N 6.257 125.954 120.500 -1.339 0.000 2.744 208 R HA 0.401 4.741 4.340 -0.000 0.000 0.279 208 R C -2.949 172.575 176.300 -1.293 0.000 0.977 208 R CA -2.498 52.987 56.100 -1.024 0.000 0.906 208 R CB 1.338 31.332 30.300 -0.509 0.000 1.197 208 R HN 0.541 nan 8.270 nan 0.000 0.463 209 P HA 0.118 nan 4.420 nan 0.000 0.268 209 P C 0.742 177.871 177.300 -0.284 0.000 1.205 209 P CA 0.528 63.370 63.100 -0.431 0.000 0.771 209 P CB 0.550 32.170 31.700 -0.134 0.000 0.858 210 G N 2.094 110.799 108.800 -0.159 0.000 2.199 210 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 210 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 210 G C 0.887 175.754 174.900 -0.056 0.000 0.982 210 G CA 0.128 45.184 45.100 -0.073 0.000 0.632 210 G HN 0.461 nan 8.290 nan 0.000 0.529 211 I N 0.406 120.902 120.570 -0.125 0.000 2.333 211 I HA 0.077 4.247 4.170 -0.000 0.000 0.246 211 I C 2.674 178.873 176.117 0.137 0.000 1.106 211 I CA 1.980 63.257 61.300 -0.038 0.000 1.411 211 I CB -0.881 37.037 38.000 -0.137 0.000 1.082 211 I HN 0.488 nan 8.210 nan 0.000 0.420 212 L N -1.374 119.988 121.223 0.233 0.000 3.417 212 L HA -0.295 4.044 4.340 -0.000 0.000 0.368 212 L C 0.515 177.616 176.870 0.384 0.000 0.810 212 L CA 1.175 56.251 54.840 0.393 0.000 3.108 212 L CB -1.315 40.977 42.059 0.388 0.000 0.687 212 L HN 0.130 nan 8.230 nan 0.000 0.756 213 L N 0.165 121.571 121.223 0.304 0.000 2.318 213 L HA 0.465 4.805 4.340 -0.000 0.000 0.277 213 L C -0.599 176.342 176.870 0.118 0.000 1.008 213 L CA -0.393 54.490 54.840 0.071 0.000 0.846 213 L CB 1.165 43.256 42.059 0.053 0.000 1.220 213 L HN 0.350 nan 8.230 nan 0.000 0.423 214 W N 2.819 123.989 121.300 -0.216 0.000 3.047 214 W HA 0.514 5.173 4.660 -0.000 0.000 0.341 214 W C -1.254 175.109 176.519 -0.261 0.000 1.225 214 W CA -0.872 56.329 57.345 -0.240 0.000 1.150 214 W CB 0.742 30.143 29.460 -0.099 0.000 1.470 214 W HN 0.174 nan 8.180 nan 0.000 0.578 215 H N 1.155 120.300 119.070 0.125 0.000 2.467 215 H HA 0.484 5.040 4.556 -0.000 0.000 0.326 215 H C -0.712 174.684 175.328 0.114 0.000 1.094 215 H CA -0.678 55.379 56.048 0.016 0.000 1.253 215 H CB 1.995 31.787 29.762 0.050 0.000 1.439 215 H HN 0.310 nan 8.280 nan 0.000 0.479 216 V N 3.641 123.642 119.914 0.144 0.000 2.275 216 V HA -0.006 4.114 4.120 -0.000 0.000 0.272 216 V C 1.439 177.590 176.094 0.096 0.000 1.028 216 V CA -0.297 62.092 62.300 0.148 0.000 0.810 216 V CB 0.900 32.793 31.823 0.117 0.000 1.043 216 V HN 0.882 nan 8.190 nan 0.000 0.453 217 S N 2.773 118.525 115.700 0.088 0.000 2.423 217 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 217 S C 1.774 176.389 174.600 0.025 0.000 1.014 217 S CA 1.262 59.488 58.200 0.043 0.000 0.965 217 S CB -0.251 62.965 63.200 0.028 0.000 0.785 217 S HN 0.837 nan 8.310 nan 0.000 0.495 218 S N 1.234 116.945 115.700 0.019 0.000 2.603 218 S HA 0.061 4.531 4.470 -0.000 0.000 0.220 218 S C 0.801 175.396 174.600 -0.008 0.000 0.967 218 S CA -0.353 57.846 58.200 -0.002 0.000 0.920 218 S CB -0.693 62.497 63.200 -0.016 0.000 0.773 218 S HN 0.867 nan 8.310 nan 0.000 0.529 219 Q N 1.213 121.021 119.800 0.012 0.000 2.417 219 Q HA 0.502 4.842 4.340 -0.000 0.000 0.241 219 Q C -0.593 175.438 176.000 0.052 0.000 1.008 219 Q CA -0.347 55.474 55.803 0.031 0.000 0.901 219 Q CB 0.630 29.420 28.738 0.087 0.000 1.259 219 Q HN 0.124 nan 8.270 nan 0.000 0.489 220 S N 2.092 117.843 115.700 0.086 0.000 2.720 220 S HA 0.488 4.957 4.470 -0.000 0.000 0.278 220 S C -1.659 173.078 174.600 0.229 0.000 1.172 220 S CA -0.745 57.542 58.200 0.145 0.000 1.019 220 S CB 0.772 64.034 63.200 0.104 0.000 1.049 220 S HN 0.515 nan 8.310 nan 0.000 0.483 221 L N 3.947 125.248 121.223 0.129 0.000 2.331 221 L HA 0.633 4.973 4.340 -0.000 0.000 0.275 221 L C 1.010 177.662 176.870 -0.364 0.000 1.022 221 L CA -0.136 54.675 54.840 -0.048 0.000 0.812 221 L CB 1.728 43.781 42.059 -0.011 0.000 1.257 221 L HN 0.846 nan 8.230 nan 0.000 0.435 222 S N 0.831 116.037 115.700 -0.823 0.000 2.634 222 S HA 0.524 4.994 4.470 -0.000 0.000 0.254 222 S C -0.199 174.056 174.600 -0.575 0.000 1.299 222 S CA -0.303 57.218 58.200 -1.132 0.000 0.974 222 S CB 0.154 62.853 63.200 -0.834 0.000 1.001 222 S HN 0.211 nan 8.310 nan 0.000 0.584 223 F N -0.391 119.565 119.950 0.009 0.000 2.523 223 F HA 0.489 5.016 4.527 -0.000 0.000 0.329 223 F C 0.723 176.179 175.800 -0.573 0.000 1.061 223 F CA -1.155 56.803 58.000 -0.069 0.000 0.967 223 F CB 0.902 39.887 39.000 -0.026 0.000 1.218 223 F HN 0.486 nan 8.300 nan 0.000 0.480 224 D N 0.378 120.092 120.400 -1.142 0.000 2.354 224 D HA 0.404 5.044 4.640 -0.000 0.000 0.247 224 D C -0.807 175.073 176.300 -0.699 0.000 1.138 224 D CA 0.268 53.422 54.000 -1.411 0.000 0.958 224 D CB 1.663 41.142 40.800 -2.200 0.000 1.144 224 D HN 0.464 nan 8.370 nan 0.000 0.458 225 S N -0.379 115.031 115.700 -0.483 0.000 2.556 225 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 225 S C -0.211 174.342 174.600 -0.077 0.000 1.135 225 S CA -0.592 57.443 58.200 -0.275 0.000 0.858 225 S CB 1.348 64.351 63.200 -0.328 0.000 1.114 225 S HN 0.216 nan 8.310 nan 0.000 0.468 226 S N 2.033 117.724 115.700 -0.016 0.000 2.554 226 S HA 0.225 4.695 4.470 -0.000 0.000 0.226 226 S C 0.263 174.902 174.600 0.064 0.000 0.980 226 S CA -0.381 57.891 58.200 0.120 0.000 0.939 226 S CB -0.268 62.960 63.200 0.046 0.000 0.832 226 S HN 0.658 nan 8.310 nan 0.000 0.486 227 N N 3.184 121.877 118.700 -0.012 0.000 2.405 227 N HA 0.159 4.899 4.740 -0.000 0.000 0.260 227 N C -2.111 173.111 175.510 -0.481 0.000 1.152 227 N CA -1.880 51.101 53.050 -0.115 0.000 0.948 227 N CB 1.221 39.756 38.487 0.080 0.000 1.111 227 N HN -0.034 nan 8.380 nan 0.000 0.485 228 P HA -0.074 nan 4.420 nan 0.000 0.222 228 P C 0.622 177.203 177.300 -1.198 0.000 1.147 228 P CA 0.975 63.124 63.100 -1.585 0.000 0.790 228 P CB 0.325 31.539 31.700 -0.810 0.000 0.780 229 E N -1.505 118.238 120.200 -0.762 0.000 2.219 229 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 229 E C 1.145 177.070 176.600 -1.126 0.000 0.998 229 E CA 1.107 56.922 56.400 -0.973 0.000 0.818 229 E CB -0.435 28.834 29.700 -0.719 0.000 0.741 229 E HN 0.425 nan 8.360 nan 0.000 0.477 230 Y N -0.951 119.048 120.300 -0.502 0.000 2.500 230 Y HA 0.105 4.655 4.550 -0.000 0.000 0.270 230 Y C 0.449 176.356 175.900 0.012 0.000 1.134 230 Y CA -0.204 57.829 58.100 -0.112 0.000 1.293 230 Y CB 0.317 38.822 38.460 0.074 0.000 1.063 230 Y HN -0.108 nan 8.280 nan 0.000 0.534 231 F N 2.259 122.055 119.950 -0.257 0.000 2.578 231 F HA -0.063 4.464 4.527 -0.000 0.000 0.376 231 F C 0.585 176.218 175.800 -0.278 0.000 1.085 231 F CA -0.182 57.688 58.000 -0.217 0.000 1.260 231 F CB 0.367 39.194 39.000 -0.288 0.000 1.095 231 F HN 0.273 nan 8.300 nan 0.000 0.573 232 D N 2.154 122.567 120.400 0.022 0.000 2.837 232 D HA -0.175 4.464 4.640 -0.000 0.000 0.230 232 D C 1.181 177.167 176.300 -0.524 0.000 1.152 232 D CA 0.815 54.681 54.000 -0.223 0.000 0.736 232 D CB -1.343 39.305 40.800 -0.254 0.000 1.084 232 D HN 0.869 nan 8.370 nan 0.000 0.429 233 G N -0.553 108.139 108.800 -0.181 0.000 2.683 233 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.213 233 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.213 233 G C 0.450 175.395 174.900 0.075 0.000 1.142 233 G CA -0.036 45.032 45.100 -0.054 0.000 0.793 233 G HN 0.328 nan 8.290 nan 0.000 0.534 234 Y N -2.383 118.068 120.300 0.251 0.000 3.234 234 Y HA -0.158 4.392 4.550 -0.000 0.000 0.207 234 Y C 0.417 176.472 175.900 0.258 0.000 1.316 234 Y CA -0.629 57.607 58.100 0.226 0.000 1.309 234 Y CB -2.539 36.055 38.460 0.225 0.000 1.408 234 Y HN 0.459 nan 8.280 nan 0.000 0.544 235 W N 1.719 123.163 121.300 0.239 0.000 2.565 235 W HA 0.443 5.103 4.660 -0.000 0.000 0.325 235 W C 1.127 177.704 176.519 0.096 0.000 1.408 235 W CA 1.636 59.083 57.345 0.170 0.000 1.350 235 W CB 0.329 29.918 29.460 0.216 0.000 1.426 235 W HN 0.639 nan 8.180 nan 0.000 0.538 236 G N 3.889 112.628 108.800 -0.102 0.000 2.205 236 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.180 236 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.180 236 G C 0.614 175.493 174.900 -0.034 0.000 1.004 236 G CA 0.074 45.093 45.100 -0.134 0.000 0.670 236 G HN 0.602 nan 8.290 nan 0.000 0.496 237 Y N 2.422 122.666 120.300 -0.093 0.000 2.193 237 Y HA 0.107 4.657 4.550 -0.000 0.000 0.285 237 Y C 1.708 177.670 175.900 0.102 0.000 1.166 237 Y CA 2.559 60.642 58.100 -0.027 0.000 1.181 237 Y CB 0.145 38.645 38.460 0.067 0.000 0.976 237 Y HN 0.738 nan 8.280 nan 0.000 0.520 238 S N -1.370 114.427 115.700 0.162 0.000 2.588 238 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 238 S C -1.379 173.172 174.600 -0.082 0.000 1.130 238 S CA -0.567 57.654 58.200 0.035 0.000 0.855 238 S CB 1.943 65.161 63.200 0.030 0.000 1.116 238 S HN 0.078 nan 8.310 nan 0.000 0.472 239 V N 0.189 120.046 119.914 -0.095 0.000 3.048 239 V HA 0.932 5.052 4.120 -0.000 0.000 0.303 239 V C -0.969 175.073 176.094 -0.088 0.000 1.214 239 V CA 0.207 62.427 62.300 -0.133 0.000 0.984 239 V CB 1.726 33.447 31.823 -0.170 0.000 1.054 239 V HN 1.873 nan 8.190 nan 0.000 0.430 240 A N 3.942 126.724 122.820 -0.063 0.000 2.602 240 A HA 0.966 5.286 4.320 -0.000 0.000 0.290 240 A C -1.107 176.513 177.584 0.059 0.000 1.114 240 A CA 0.002 52.032 52.037 -0.012 0.000 0.683 240 A CB 1.922 20.919 19.000 -0.005 0.000 1.281 240 A HN 2.062 nan 8.150 nan 0.000 0.416 241 V N -1.937 118.029 119.914 0.087 0.000 2.960 241 V HA 1.066 5.186 4.120 -0.000 0.000 0.315 241 V C 0.112 176.288 176.094 0.138 0.000 1.087 241 V CA 0.175 62.579 62.300 0.173 0.000 0.982 241 V CB 1.275 33.203 31.823 0.175 0.000 1.039 241 V HN 2.355 nan 8.190 nan 0.000 0.437 242 G N 1.329 110.257 108.800 0.212 0.000 2.489 242 G HA2 0.550 4.510 3.960 -0.000 0.000 0.305 242 G HA3 0.550 4.510 3.960 -0.000 0.000 0.305 242 G C -1.907 173.086 174.900 0.154 0.000 1.311 242 G CA -0.424 44.752 45.100 0.126 0.000 0.813 242 G HN 1.050 nan 8.290 nan 0.000 0.480 243 E N -0.337 119.875 120.200 0.020 0.000 2.141 243 E HA 0.690 5.040 4.350 -0.000 0.000 0.259 243 E C -1.032 175.345 176.600 -0.372 0.000 0.883 243 E CA -0.767 55.578 56.400 -0.091 0.000 0.744 243 E CB 0.728 30.362 29.700 -0.111 0.000 1.150 243 E HN 0.271 nan 8.360 nan 0.000 0.420 244 F N 1.852 121.868 119.950 0.109 0.000 2.856 244 F HA 0.176 4.703 4.527 -0.000 0.000 0.338 244 F C 0.868 176.740 175.800 0.120 0.000 1.100 244 F CA -0.257 57.814 58.000 0.119 0.000 1.150 244 F CB 0.945 40.029 39.000 0.140 0.000 1.101 244 F HN 0.423 nan 8.300 nan 0.000 0.548 245 D N -1.038 119.486 120.400 0.208 0.000 2.440 245 D HA 0.233 4.873 4.640 -0.000 0.000 0.216 245 D C 1.766 178.114 176.300 0.080 0.000 1.150 245 D CA 0.583 54.667 54.000 0.140 0.000 0.832 245 D CB 0.181 41.040 40.800 0.098 0.000 0.992 245 D HN 0.229 nan 8.370 nan 0.000 0.502 246 G N 0.816 109.649 108.800 0.056 0.000 2.220 246 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.269 246 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.269 246 G C -0.084 174.822 174.900 0.010 0.000 0.977 246 G CA 0.409 45.523 45.100 0.024 0.000 0.634 246 G HN 0.608 nan 8.290 nan 0.000 0.539 247 D N 0.426 120.836 120.400 0.016 0.000 2.359 247 D HA 0.504 5.144 4.640 -0.000 0.000 0.230 247 D C 1.714 178.015 176.300 0.001 0.000 1.118 247 D CA -0.659 53.346 54.000 0.008 0.000 0.844 247 D CB 0.379 41.187 40.800 0.014 0.000 1.059 247 D HN 0.125 nan 8.370 nan 0.000 0.493 248 L N 3.324 124.543 121.223 -0.007 0.000 2.362 248 L HA -0.043 4.297 4.340 -0.000 0.000 0.219 248 L C 1.963 178.831 176.870 -0.002 0.000 1.134 248 L CA 0.246 55.080 54.840 -0.011 0.000 0.807 248 L CB -0.330 41.719 42.059 -0.018 0.000 0.927 248 L HN 0.395 nan 8.230 nan 0.000 0.447 249 N N 0.094 118.795 118.700 0.001 0.000 2.270 249 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 249 N C 0.767 176.278 175.510 0.001 0.000 1.016 249 N CA 1.078 54.131 53.050 0.004 0.000 0.870 249 N CB 0.074 38.566 38.487 0.008 0.000 0.979 249 N HN 0.354 nan 8.380 nan 0.000 0.431 250 T N -2.581 111.973 114.554 -0.000 0.000 2.929 250 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 250 T C -0.113 174.572 174.700 -0.026 0.000 1.014 250 T CA -0.678 61.413 62.100 -0.015 0.000 1.051 250 T CB 1.841 70.707 68.868 -0.003 0.000 1.028 250 T HN -0.131 nan 8.240 nan 0.000 0.485 251 T N 2.324 116.834 114.554 -0.073 0.000 2.829 251 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 251 T C -0.651 173.935 174.700 -0.190 0.000 0.999 251 T CA -0.615 61.444 62.100 -0.068 0.000 0.983 251 T CB 1.514 70.365 68.868 -0.028 0.000 0.968 251 T HN 0.668 nan 8.240 nan 0.000 0.446 252 E N 1.391 121.563 120.200 -0.047 0.000 2.214 252 E HA 0.522 4.872 4.350 -0.000 0.000 0.274 252 E C -1.132 175.510 176.600 0.071 0.000 0.977 252 E CA -0.557 55.816 56.400 -0.044 0.000 0.827 252 E CB 0.765 30.599 29.700 0.223 0.000 1.130 252 E HN 0.433 nan 8.360 nan 0.000 0.394 253 Y N 0.175 120.528 120.300 0.089 0.000 2.387 253 Y HA 0.483 5.033 4.550 -0.000 0.000 0.336 253 Y C -0.166 175.732 175.900 -0.003 0.000 1.067 253 Y CA -1.327 56.800 58.100 0.044 0.000 1.114 253 Y CB 1.079 39.566 38.460 0.046 0.000 1.208 253 Y HN 0.146 nan 8.280 nan 0.000 0.458 254 V N 4.185 124.169 119.914 0.116 0.000 2.417 254 V HA 0.583 4.703 4.120 -0.000 0.000 0.291 254 V C -0.522 175.493 176.094 -0.132 0.000 1.024 254 V CA -0.846 61.426 62.300 -0.047 0.000 0.861 254 V CB 1.495 33.277 31.823 -0.068 0.000 0.985 254 V HN 0.526 nan 8.190 nan 0.000 0.436 255 V N 3.385 123.159 119.914 -0.234 0.000 2.588 255 V HA 0.737 4.857 4.120 -0.000 0.000 0.304 255 V C 0.590 176.465 176.094 -0.365 0.000 1.042 255 V CA -0.499 61.541 62.300 -0.434 0.000 0.877 255 V CB 1.990 33.242 31.823 -0.952 0.000 0.996 255 V HN 0.935 nan 8.190 nan 0.000 0.425 256 G N 2.574 111.209 108.800 -0.274 0.000 2.338 256 G HA2 0.612 4.572 3.960 -0.000 0.000 0.298 256 G HA3 0.612 4.572 3.960 -0.000 0.000 0.298 256 G C -0.186 174.658 174.900 -0.093 0.000 1.140 256 G CA -0.109 44.897 45.100 -0.156 0.000 0.860 256 G HN 1.189 nan 8.290 nan 0.000 0.470 257 A N 4.665 127.480 122.820 -0.007 0.000 3.030 257 A HA 0.648 4.968 4.320 -0.000 0.000 0.335 257 A C -1.428 176.202 177.584 0.077 0.000 1.089 257 A CA -1.196 50.926 52.037 0.143 0.000 0.807 257 A CB 1.461 20.662 19.000 0.336 0.000 1.099 257 A HN 0.450 nan 8.150 nan 0.000 0.474 258 P HA -0.092 nan 4.420 nan 0.000 0.226 258 P C 0.949 178.008 177.300 -0.402 0.000 1.153 258 P CA 1.663 64.552 63.100 -0.351 0.000 0.777 258 P CB 0.032 31.199 31.700 -0.887 0.000 0.794 259 T N -7.111 107.285 114.554 -0.265 0.000 3.182 259 T HA 0.130 4.480 4.350 -0.000 0.000 0.277 259 T C -0.007 174.626 174.700 -0.112 0.000 1.013 259 T CA -0.769 61.198 62.100 -0.221 0.000 0.900 259 T CB -0.923 67.745 68.868 -0.333 0.000 1.098 259 T HN -0.039 nan 8.240 nan 0.000 0.543 260 W N 2.663 123.855 121.300 -0.180 0.000 2.293 260 W HA 0.363 5.023 4.660 -0.000 0.000 0.342 260 W C 0.684 177.090 176.519 -0.188 0.000 1.274 260 W CA 1.211 58.441 57.345 -0.191 0.000 1.290 260 W CB 0.179 29.555 29.460 -0.140 0.000 1.176 260 W HN 0.337 nan 8.180 nan 0.000 0.570 261 S N 6.726 121.782 115.700 -1.074 0.000 3.477 261 S HA -0.238 4.232 4.470 -0.000 0.000 0.426 261 S C 0.114 174.615 174.600 -0.165 0.000 0.874 261 S CA 0.717 58.383 58.200 -0.889 0.000 1.341 261 S CB -1.559 60.961 63.200 -1.135 0.000 0.917 261 S HN 1.015 nan 8.310 nan 0.000 0.607 262 W N 0.088 121.204 121.300 -0.308 0.000 5.770 262 W HA -0.349 4.311 4.660 -0.000 0.000 0.389 262 W C 1.282 177.732 176.519 -0.115 0.000 1.469 262 W CA 1.436 58.674 57.345 -0.179 0.000 0.975 262 W CB -3.025 26.335 29.460 -0.167 0.000 2.622 262 W HN 1.827 nan 8.180 nan 0.000 1.500 263 T N -4.886 109.667 114.554 -0.001 0.000 5.383 263 T HA -0.365 3.985 4.350 -0.000 0.000 0.279 263 T C 0.762 175.503 174.700 0.069 0.000 1.930 263 T CA 1.285 63.400 62.100 0.025 0.000 3.248 263 T CB -1.689 67.223 68.868 0.073 0.000 1.367 263 T HN 0.293 nan 8.240 nan 0.000 1.030 264 L N 1.743 123.013 121.223 0.078 0.000 2.093 264 L HA 0.474 4.814 4.340 -0.000 0.000 0.208 264 L C 1.633 178.573 176.870 0.117 0.000 1.085 264 L CA 2.948 57.845 54.840 0.095 0.000 0.755 264 L CB -0.931 41.189 42.059 0.102 0.000 0.904 264 L HN 1.681 nan 8.230 nan 0.000 0.435 265 G N -1.541 107.370 108.800 0.185 0.000 2.712 265 G HA2 0.358 4.318 3.960 -0.000 0.000 0.686 265 G HA3 0.358 4.318 3.960 -0.000 0.000 0.686 265 G C -0.637 174.438 174.900 0.291 0.000 1.321 265 G CA -0.302 44.935 45.100 0.228 0.000 0.813 265 G HN 1.183 nan 8.290 nan 0.000 0.599 266 A N -0.512 122.476 122.820 0.280 0.000 2.608 266 A HA 0.917 5.237 4.320 -0.000 0.000 0.292 266 A C -0.830 176.801 177.584 0.078 0.000 1.066 266 A CA 0.141 52.229 52.037 0.084 0.000 0.676 266 A CB 1.801 20.486 19.000 -0.525 0.000 1.277 266 A HN 2.149 nan 8.150 nan 0.000 0.413 267 V N 1.185 121.125 119.914 0.044 0.000 2.656 267 V HA 0.548 4.668 4.120 -0.000 0.000 0.307 267 V C -0.326 175.677 176.094 -0.151 0.000 1.051 267 V CA -0.411 61.825 62.300 -0.107 0.000 0.893 267 V CB 1.796 33.511 31.823 -0.179 0.000 0.999 267 V HN 0.929 nan 8.190 nan 0.000 0.426 268 E N 3.715 123.840 120.200 -0.125 0.000 2.212 268 E HA 0.619 4.969 4.350 -0.000 0.000 0.268 268 E C -1.274 175.290 176.600 -0.059 0.000 0.902 268 E CA -0.710 55.663 56.400 -0.045 0.000 0.779 268 E CB 2.830 32.624 29.700 0.157 0.000 1.172 268 E HN 0.518 nan 8.360 nan 0.000 0.409 269 I N 3.872 124.415 120.570 -0.044 0.000 2.354 269 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 269 I C -0.604 175.543 176.117 0.051 0.000 0.989 269 I CA -0.457 60.810 61.300 -0.055 0.000 1.188 269 I CB 0.695 38.609 38.000 -0.144 0.000 1.342 269 I HN 0.241 nan 8.210 nan 0.000 0.457 270 L N 4.796 126.081 121.223 0.102 0.000 2.333 270 L HA 0.517 4.857 4.340 -0.000 0.000 0.263 270 L C -0.535 176.351 176.870 0.028 0.000 1.014 270 L CA -1.048 53.880 54.840 0.148 0.000 0.820 270 L CB 1.839 44.102 42.059 0.339 0.000 1.352 270 L HN 0.552 nan 8.230 nan 0.000 0.421 271 D N -0.798 119.608 120.400 0.010 0.000 2.451 271 D HA 0.086 4.726 4.640 -0.000 0.000 0.259 271 D C 0.939 177.059 176.300 -0.301 0.000 1.201 271 D CA -0.236 53.706 54.000 -0.097 0.000 1.028 271 D CB 0.887 41.698 40.800 0.019 0.000 1.095 271 D HN 0.510 nan 8.370 nan 0.000 0.539 272 S N -1.420 114.033 115.700 -0.412 0.000 2.515 272 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 272 S C 1.261 175.476 174.600 -0.641 0.000 0.987 272 S CA 0.269 58.053 58.200 -0.692 0.000 0.936 272 S CB -0.785 62.087 63.200 -0.546 0.000 0.766 272 S HN 0.525 nan 8.310 nan 0.000 0.528 273 Y N 0.365 120.499 120.300 -0.277 0.000 2.471 273 Y HA 0.292 4.842 4.550 -0.000 0.000 0.286 273 Y C -0.150 175.793 175.900 0.072 0.000 1.188 273 Y CA -0.806 57.225 58.100 -0.114 0.000 1.286 273 Y CB -0.780 37.706 38.460 0.044 0.000 1.072 273 Y HN 0.189 nan 8.280 nan 0.000 0.517 274 Y N -1.481 119.000 120.300 0.302 0.000 4.272 274 Y HA -0.300 4.250 4.550 -0.000 0.000 0.232 274 Y C 0.208 176.312 175.900 0.340 0.000 1.149 274 Y CA -0.438 57.860 58.100 0.330 0.000 1.961 274 Y CB -2.619 35.989 38.460 0.246 0.000 1.611 274 Y HN 0.255 nan 8.280 nan 0.000 0.682 275 Q N 0.895 120.904 119.800 0.348 0.000 2.286 275 Q HA 0.275 4.614 4.340 -0.000 0.000 0.257 275 Q C 0.633 176.739 176.000 0.176 0.000 0.941 275 Q CA -0.708 55.233 55.803 0.229 0.000 0.912 275 Q CB 1.132 29.949 28.738 0.131 0.000 1.192 275 Q HN 0.301 nan 8.270 nan 0.000 0.410 276 R N 2.880 123.471 120.500 0.152 0.000 2.449 276 R HA 0.050 4.390 4.340 -0.000 0.000 0.296 276 R C 0.550 176.853 176.300 0.004 0.000 1.047 276 R CA 0.196 56.363 56.100 0.111 0.000 1.018 276 R CB 0.334 30.703 30.300 0.116 0.000 0.962 276 R HN 0.693 nan 8.270 nan 0.000 0.428 277 L N 2.804 123.989 121.223 -0.064 0.000 2.388 277 L HA 0.208 4.548 4.340 -0.000 0.000 0.209 277 L C 0.074 176.600 176.870 -0.573 0.000 1.061 277 L CA 0.255 54.923 54.840 -0.287 0.000 0.834 277 L CB 0.149 42.051 42.059 -0.261 0.000 1.029 277 L HN 0.701 nan 8.230 nan 0.000 0.473 278 H N -1.325 117.726 119.070 -0.033 0.000 2.996 278 H HA 0.521 5.077 4.556 -0.000 0.000 0.368 278 H C -1.042 174.225 175.328 -0.101 0.000 1.185 278 H CA -0.707 55.296 56.048 -0.074 0.000 1.160 278 H CB 2.051 31.735 29.762 -0.129 0.000 1.820 278 H HN -0.162 nan 8.280 nan 0.000 0.547 279 R N 2.304 122.807 120.500 0.004 0.000 2.561 279 R HA 0.501 4.841 4.340 -0.000 0.000 0.297 279 R C -1.775 174.435 176.300 -0.149 0.000 0.969 279 R CA -0.874 55.155 56.100 -0.117 0.000 0.879 279 R CB 1.027 31.217 30.300 -0.184 0.000 1.178 279 R HN 0.522 nan 8.270 nan 0.000 0.445 280 L N 4.754 125.860 121.223 -0.194 0.000 2.298 280 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 280 L C 0.054 176.829 176.870 -0.159 0.000 1.013 280 L CA -0.566 54.162 54.840 -0.187 0.000 0.824 280 L CB 1.662 43.541 42.059 -0.300 0.000 1.221 280 L HN 0.471 nan 8.230 nan 0.000 0.418 281 R N 1.444 121.800 120.500 -0.241 0.000 2.410 281 R HA 0.522 4.861 4.340 -0.000 0.000 0.288 281 R C 0.512 176.339 176.300 -0.788 0.000 1.051 281 R CA -0.591 55.325 56.100 -0.306 0.000 1.021 281 R CB 1.037 31.274 30.300 -0.105 0.000 1.032 281 R HN 0.776 nan 8.270 nan 0.000 0.481 282 G N 0.402 108.665 108.800 -0.896 0.000 2.614 282 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.239 282 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.239 282 G C 0.227 174.817 174.900 -0.517 0.000 1.240 282 G CA -0.247 44.149 45.100 -1.173 0.000 0.842 282 G HN 0.817 nan 8.290 nan 0.000 0.584 283 E N -0.870 119.136 120.200 -0.324 0.000 2.251 283 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 283 E C 0.788 177.458 176.600 0.116 0.000 0.964 283 E CA 0.239 56.624 56.400 -0.026 0.000 0.868 283 E CB 0.180 29.965 29.700 0.141 0.000 0.828 283 E HN 0.518 nan 8.360 nan 0.000 0.481 284 Q N 0.695 120.603 119.800 0.180 0.000 2.289 284 Q HA 0.266 4.606 4.340 -0.000 0.000 0.270 284 Q C -1.222 174.874 176.000 0.161 0.000 1.038 284 Q CA -0.526 55.393 55.803 0.194 0.000 0.812 284 Q CB 1.594 30.502 28.738 0.284 0.000 1.300 284 Q HN 0.071 nan 8.270 nan 0.000 0.427 285 M N 2.495 122.161 119.600 0.111 0.000 2.250 285 M HA 0.120 4.600 4.480 -0.000 0.000 0.337 285 M C 0.972 177.356 176.300 0.139 0.000 1.161 285 M CA 1.612 56.978 55.300 0.110 0.000 1.088 285 M CB 0.511 33.161 32.600 0.082 0.000 1.639 285 M HN 1.007 nan 8.290 nan 0.000 0.447 286 A N 0.854 123.773 122.820 0.165 0.000 3.153 286 A HA -0.213 4.107 4.320 -0.000 0.000 0.265 286 A C 1.534 179.294 177.584 0.293 0.000 1.212 286 A CA 1.380 53.551 52.037 0.223 0.000 1.018 286 A CB -2.565 16.540 19.000 0.174 0.000 1.130 286 A HN 1.035 nan 8.150 nan 0.000 0.873 287 S N -2.471 113.406 115.700 0.295 0.000 2.515 287 S HA 0.109 4.579 4.470 -0.000 0.000 0.231 287 S C 0.757 175.628 174.600 0.452 0.000 0.987 287 S CA 1.243 59.665 58.200 0.369 0.000 0.936 287 S CB -0.457 63.020 63.200 0.461 0.000 0.766 287 S HN 1.685 nan 8.310 nan 0.000 0.528 288 Y N -0.297 120.140 120.300 0.228 0.000 3.689 288 Y HA -0.225 4.325 4.550 -0.000 0.000 0.221 288 Y C 0.047 176.091 175.900 0.241 0.000 1.247 288 Y CA 0.056 58.272 58.100 0.193 0.000 1.671 288 Y CB -2.515 36.027 38.460 0.137 0.000 1.521 288 Y HN 0.564 nan 8.280 nan 0.000 0.632 289 F N 1.244 121.279 119.950 0.142 0.000 2.546 289 F HA 0.343 4.870 4.527 -0.000 0.000 0.388 289 F C 1.272 177.081 175.800 0.016 0.000 1.051 289 F CA 1.778 59.831 58.000 0.089 0.000 1.130 289 F CB 0.208 39.214 39.000 0.011 0.000 1.044 289 F HN 0.380 nan 8.300 nan 0.000 0.553 290 G N 4.259 112.890 108.800 -0.281 0.000 2.192 290 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.193 290 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.193 290 G C 1.275 176.165 174.900 -0.017 0.000 0.999 290 G CA 0.178 45.163 45.100 -0.191 0.000 0.659 290 G HN 0.788 nan 8.290 nan 0.000 0.503 291 H N 0.824 119.900 119.070 0.011 0.000 2.352 291 H HA 0.080 4.636 4.556 -0.000 0.000 0.299 291 H C 0.543 175.969 175.328 0.162 0.000 1.097 291 H CA 2.110 58.255 56.048 0.162 0.000 1.311 291 H CB 0.225 30.144 29.762 0.263 0.000 1.377 291 H HN 0.400 nan 8.280 nan 0.000 0.504 292 S N 0.167 115.948 115.700 0.136 0.000 2.548 292 S HA 0.499 4.969 4.470 -0.000 0.000 0.286 292 S C -0.800 173.778 174.600 -0.037 0.000 1.098 292 S CA -0.417 57.799 58.200 0.027 0.000 0.930 292 S CB 2.838 66.084 63.200 0.075 0.000 1.070 292 S HN 0.321 nan 8.310 nan 0.000 0.480 293 V N -1.041 118.840 119.914 -0.055 0.000 2.925 293 V HA 1.064 5.184 4.120 -0.000 0.000 0.311 293 V C -0.643 175.429 176.094 -0.037 0.000 1.104 293 V CA -0.967 61.295 62.300 -0.064 0.000 0.954 293 V CB 1.171 32.940 31.823 -0.091 0.000 1.022 293 V HN 1.170 nan 8.190 nan 0.000 0.427 294 A N 2.829 125.642 122.820 -0.012 0.000 2.515 294 A HA 0.924 5.244 4.320 -0.000 0.000 0.298 294 A C -1.219 176.386 177.584 0.036 0.000 1.059 294 A CA -0.697 51.342 52.037 0.003 0.000 0.698 294 A CB 2.259 21.260 19.000 0.002 0.000 1.289 294 A HN 1.542 nan 8.150 nan 0.000 0.404 295 V N 1.310 121.233 119.914 0.014 0.000 2.483 295 V HA 0.845 4.965 4.120 -0.000 0.000 0.297 295 V C -0.117 175.918 176.094 -0.099 0.000 1.027 295 V CA -0.075 62.225 62.300 0.001 0.000 0.855 295 V CB 1.399 33.206 31.823 -0.027 0.000 0.995 295 V HN 1.163 nan 8.190 nan 0.000 0.424 296 T N 2.334 116.882 114.554 -0.011 0.000 3.087 296 T HA 0.256 4.606 4.350 -0.000 0.000 0.351 296 T C -1.891 172.903 174.700 0.157 0.000 1.520 296 T CA -0.574 61.559 62.100 0.055 0.000 1.111 296 T CB 1.681 70.583 68.868 0.057 0.000 1.353 296 T HN 0.772 nan 8.240 nan 0.000 0.481 297 D N 2.662 123.195 120.400 0.221 0.000 2.336 297 D HA 0.297 4.937 4.640 -0.000 0.000 0.249 297 D C 1.434 177.816 176.300 0.137 0.000 1.213 297 D CA -0.006 54.090 54.000 0.159 0.000 0.870 297 D CB 0.993 41.855 40.800 0.103 0.000 1.076 297 D HN 0.418 nan 8.370 nan 0.000 0.483 298 V N 1.832 121.826 119.914 0.133 0.000 3.644 298 V HA 0.164 4.284 4.120 -0.000 0.000 0.267 298 V C 0.917 177.115 176.094 0.173 0.000 1.277 298 V CA 0.432 62.814 62.300 0.136 0.000 1.096 298 V CB -0.360 31.518 31.823 0.093 0.000 0.828 298 V HN 0.564 nan 8.190 nan 0.000 0.446 299 N N 0.865 119.671 118.700 0.177 0.000 2.275 299 N HA 0.254 4.994 4.740 -0.000 0.000 0.236 299 N C 1.327 177.057 175.510 0.366 0.000 1.154 299 N CA 0.277 53.457 53.050 0.217 0.000 0.866 299 N CB 0.337 38.881 38.487 0.095 0.000 1.093 299 N HN 0.792 nan 8.380 nan 0.000 0.515 300 G N 1.761 110.739 108.800 0.298 0.000 2.187 300 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.261 300 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.261 300 G C 0.281 175.203 174.900 0.037 0.000 1.000 300 G CA 0.715 45.870 45.100 0.092 0.000 0.718 300 G HN 0.651 nan 8.290 nan 0.000 0.519 301 D N -0.973 119.462 120.400 0.059 0.000 2.349 301 D HA 0.367 5.007 4.640 -0.000 0.000 0.214 301 D C 1.805 178.097 176.300 -0.013 0.000 1.063 301 D CA 0.610 54.625 54.000 0.025 0.000 0.847 301 D CB -0.487 40.338 40.800 0.041 0.000 0.933 301 D HN 1.475 nan 8.370 nan 0.000 0.513 302 G N 0.485 109.266 108.800 -0.031 0.000 2.199 302 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 302 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 302 G C 0.203 175.020 174.900 -0.138 0.000 0.982 302 G CA -0.122 44.929 45.100 -0.081 0.000 0.632 302 G HN 0.441 nan 8.290 nan 0.000 0.529 303 R N 0.528 120.972 120.500 -0.093 0.000 2.255 303 R HA 0.441 4.781 4.340 -0.000 0.000 0.326 303 R C -0.092 176.157 176.300 -0.086 0.000 0.986 303 R CA -0.754 55.271 56.100 -0.124 0.000 0.847 303 R CB 0.686 30.961 30.300 -0.042 0.000 1.111 303 R HN 0.544 nan 8.270 nan 0.000 0.452 304 H N 1.488 120.442 119.070 -0.193 0.000 3.064 304 H HA -0.037 4.519 4.556 -0.000 0.000 0.329 304 H C -0.206 175.079 175.328 -0.072 0.000 1.020 304 H CA 0.282 56.200 56.048 -0.217 0.000 1.402 304 H CB 0.637 30.098 29.762 -0.501 0.000 1.379 304 H HN 0.398 nan 8.280 nan 0.000 0.594 305 D N 1.982 122.515 120.400 0.220 0.000 2.299 305 D HA 0.234 4.874 4.640 -0.000 0.000 0.243 305 D C -0.624 175.872 176.300 0.328 0.000 0.982 305 D CA -0.705 53.459 54.000 0.275 0.000 0.924 305 D CB 2.430 43.342 40.800 0.187 0.000 1.238 305 D HN 0.116 nan 8.370 nan 0.000 0.484 306 L N 0.975 122.406 121.223 0.347 0.000 2.329 306 L HA 0.507 4.847 4.340 -0.000 0.000 0.279 306 L C -1.597 175.438 176.870 0.275 0.000 1.014 306 L CA -0.435 54.571 54.840 0.278 0.000 0.814 306 L CB 1.209 43.352 42.059 0.140 0.000 1.257 306 L HN 0.280 nan 8.230 nan 0.000 0.424 307 L N 5.483 126.808 121.223 0.171 0.000 2.362 307 L HA 0.760 5.100 4.340 -0.000 0.000 0.275 307 L C -1.015 175.904 176.870 0.081 0.000 0.998 307 L CA -0.707 54.215 54.840 0.135 0.000 0.820 307 L CB 2.171 44.263 42.059 0.055 0.000 1.270 307 L HN 0.358 nan 8.230 nan 0.000 0.415 308 V N 1.321 121.296 119.914 0.101 0.000 2.656 308 V HA 0.725 4.844 4.120 -0.000 0.000 0.307 308 V C 0.201 176.299 176.094 0.006 0.000 1.051 308 V CA -0.611 61.647 62.300 -0.071 0.000 0.893 308 V CB 1.970 33.581 31.823 -0.355 0.000 0.999 308 V HN 0.820 nan 8.190 nan 0.000 0.426 309 G N 2.161 110.939 108.800 -0.036 0.000 2.379 309 G HA2 0.662 4.622 3.960 -0.000 0.000 0.327 309 G HA3 0.662 4.622 3.960 -0.000 0.000 0.327 309 G C -0.442 174.538 174.900 0.133 0.000 1.145 309 G CA -0.282 44.861 45.100 0.071 0.000 0.905 309 G HN 1.168 nan 8.290 nan 0.000 0.466 310 A N 4.138 127.129 122.820 0.285 0.000 2.842 310 A HA 0.667 4.987 4.320 -0.000 0.000 0.339 310 A C -1.600 176.195 177.584 0.352 0.000 1.177 310 A CA -1.279 50.991 52.037 0.388 0.000 0.797 310 A CB 1.533 20.906 19.000 0.621 0.000 1.094 310 A HN 0.438 nan 8.150 nan 0.000 0.474 311 P HA -0.011 nan 4.420 nan 0.000 0.237 311 P C 0.527 177.960 177.300 0.223 0.000 1.178 311 P CA 0.693 63.904 63.100 0.185 0.000 0.766 311 P CB 0.237 31.935 31.700 -0.003 0.000 0.876 312 L N -1.723 119.653 121.223 0.255 0.000 2.965 312 L HA 0.267 4.607 4.340 -0.000 0.000 0.254 312 L C 0.618 177.645 176.870 0.261 0.000 1.220 312 L CA -0.930 54.051 54.840 0.234 0.000 1.023 312 L CB -0.512 41.663 42.059 0.193 0.000 1.355 312 L HN -0.101 nan 8.230 nan 0.000 0.545 313 Y N 2.211 122.639 120.300 0.213 0.000 2.610 313 Y HA 0.105 4.655 4.550 -0.000 0.000 0.332 313 Y C 0.347 176.330 175.900 0.138 0.000 1.201 313 Y CA 0.314 58.533 58.100 0.199 0.000 1.465 313 Y CB 0.479 39.076 38.460 0.229 0.000 1.283 313 Y HN 0.071 nan 8.280 nan 0.000 0.563 314 M N 6.656 125.857 119.600 -0.666 0.000 2.088 314 M HA 0.198 4.678 4.480 -0.000 0.000 0.346 314 M C -0.448 175.440 176.300 -0.687 0.000 1.111 314 M CA -0.288 54.730 55.300 -0.469 0.000 1.017 314 M CB 1.194 33.642 32.600 -0.253 0.000 1.568 314 M HN 0.681 nan 8.290 nan 0.000 0.445 315 E N 1.864 121.907 120.200 -0.263 0.000 2.338 315 E HA 0.209 4.559 4.350 -0.000 0.000 0.272 315 E C -0.686 175.880 176.600 -0.058 0.000 1.029 315 E CA -0.202 56.174 56.400 -0.040 0.000 0.872 315 E CB 1.057 30.804 29.700 0.079 0.000 1.015 315 E HN 0.567 nan 8.360 nan 0.000 0.417 316 S N 3.211 118.907 115.700 -0.007 0.000 2.549 316 S HA 0.289 4.759 4.470 -0.000 0.000 0.279 316 S C -0.083 174.514 174.600 -0.004 0.000 1.321 316 S CA -0.228 57.966 58.200 -0.009 0.000 1.054 316 S CB 0.717 63.926 63.200 0.015 0.000 0.899 316 S HN 0.420 nan 8.310 nan 0.000 0.497 317 R N 0.403 120.895 120.500 -0.013 0.000 2.869 317 R HA 0.649 4.989 4.340 -0.000 0.000 0.263 317 R C -0.566 175.728 176.300 -0.010 0.000 1.066 317 R CA -1.059 55.033 56.100 -0.012 0.000 0.960 317 R CB 1.139 31.426 30.300 -0.021 0.000 1.221 317 R HN 0.660 nan 8.270 nan 0.000 0.474 318 A N 0.895 123.710 122.820 -0.009 0.000 2.555 318 A HA 0.095 4.415 4.320 -0.000 0.000 0.233 318 A C -0.359 177.221 177.584 -0.007 0.000 1.060 318 A CA 0.630 52.663 52.037 -0.006 0.000 0.759 318 A CB -0.272 18.724 19.000 -0.006 0.000 0.995 318 A HN 0.825 nan 8.150 nan 0.000 0.506 319 D N -0.026 120.371 120.400 -0.005 0.000 2.746 319 D HA -0.181 4.459 4.640 -0.000 0.000 0.236 319 D C 0.370 176.667 176.300 -0.005 0.000 1.129 319 D CA 1.558 55.555 54.000 -0.004 0.000 0.691 319 D CB -1.218 39.579 40.800 -0.004 0.000 1.077 319 D HN 0.800 nan 8.370 nan 0.000 0.432 320 R N -2.361 118.136 120.500 -0.005 0.000 3.758 320 R HA -0.259 4.081 4.340 -0.000 0.000 0.299 320 R C -0.056 176.238 176.300 -0.010 0.000 1.182 320 R CA 1.190 57.287 56.100 -0.006 0.000 0.809 320 R CB -1.323 28.974 30.300 -0.004 0.000 1.249 320 R HN 0.368 nan 8.270 nan 0.000 0.497 321 K N 0.679 121.071 120.400 -0.014 0.000 2.118 321 K HA 0.582 4.902 4.320 -0.000 0.000 0.254 321 K C -0.048 176.534 176.600 -0.030 0.000 0.961 321 K CA -0.660 55.615 56.287 -0.019 0.000 0.876 321 K CB 1.228 33.717 32.500 -0.018 0.000 1.077 321 K HN -0.041 nan 8.250 nan 0.000 0.440 322 L N 1.297 122.497 121.223 -0.038 0.000 2.342 322 L HA 0.658 4.998 4.340 -0.000 0.000 0.271 322 L C -0.737 176.091 176.870 -0.070 0.000 1.008 322 L CA -0.904 53.900 54.840 -0.060 0.000 0.818 322 L CB 2.041 44.060 42.059 -0.066 0.000 1.296 322 L HN 0.672 nan 8.230 nan 0.000 0.427 323 A N 1.863 124.628 122.820 -0.090 0.000 2.411 323 A HA 0.329 4.649 4.320 -0.000 0.000 0.285 323 A C -0.563 176.958 177.584 -0.106 0.000 1.129 323 A CA -0.500 51.470 52.037 -0.112 0.000 0.736 323 A CB 0.987 19.925 19.000 -0.103 0.000 1.186 323 A HN 0.731 nan 8.150 nan 0.000 0.445 324 E N 2.199 122.336 120.200 -0.105 0.000 2.292 324 E HA 0.228 4.578 4.350 -0.000 0.000 0.265 324 E C 0.536 177.138 176.600 0.005 0.000 1.093 324 E CA 0.504 56.898 56.400 -0.011 0.000 0.922 324 E CB 0.444 30.210 29.700 0.109 0.000 1.001 324 E HN 0.788 nan 8.360 nan 0.000 0.444 325 V N 1.247 121.213 119.914 0.086 0.000 3.426 325 V HA 0.432 4.552 4.120 -0.000 0.000 0.271 325 V C 0.615 176.848 176.094 0.232 0.000 1.530 325 V CA 0.375 62.746 62.300 0.119 0.000 1.021 325 V CB -0.026 31.832 31.823 0.060 0.000 0.824 325 V HN 0.811 nan 8.190 nan 0.000 0.432 326 G N 0.853 109.836 108.800 0.305 0.000 2.712 326 G HA2 0.015 3.975 3.960 -0.000 0.000 0.686 326 G HA3 0.015 3.975 3.960 -0.000 0.000 0.686 326 G C -0.673 174.472 174.900 0.407 0.000 1.321 326 G CA -0.066 45.267 45.100 0.388 0.000 0.813 326 G HN 0.940 nan 8.290 nan 0.000 0.599 327 R N -0.630 120.093 120.500 0.372 0.000 2.668 327 R HA 0.715 5.054 4.340 -0.000 0.000 0.272 327 R C -1.294 175.088 176.300 0.136 0.000 1.019 327 R CA -0.827 55.362 56.100 0.149 0.000 0.894 327 R CB 2.169 32.271 30.300 -0.329 0.000 1.228 327 R HN 0.862 nan 8.270 nan 0.000 0.460 328 V N 3.663 123.594 119.914 0.028 0.000 2.604 328 V HA 0.500 4.620 4.120 -0.000 0.000 0.305 328 V C -1.374 174.584 176.094 -0.227 0.000 1.043 328 V CA -0.646 61.642 62.300 -0.020 0.000 0.888 328 V CB 1.737 33.531 31.823 -0.048 0.000 0.995 328 V HN 0.629 nan 8.190 nan 0.000 0.429 329 Y N 4.458 124.731 120.300 -0.045 0.000 2.352 329 Y HA 0.672 5.222 4.550 -0.000 0.000 0.339 329 Y C -0.227 175.539 175.900 -0.223 0.000 0.992 329 Y CA -0.885 57.125 58.100 -0.149 0.000 1.100 329 Y CB 1.754 40.216 38.460 0.003 0.000 1.192 329 Y HN 0.503 nan 8.280 nan 0.000 0.458 330 L N 4.757 125.832 121.223 -0.246 0.000 2.296 330 L HA 0.634 4.974 4.340 -0.000 0.000 0.286 330 L C -1.810 174.845 176.870 -0.358 0.000 1.023 330 L CA -0.709 54.027 54.840 -0.173 0.000 0.812 330 L CB 0.102 42.087 42.059 -0.123 0.000 1.223 330 L HN 0.391 nan 8.230 nan 0.000 0.421 331 F N 5.832 125.826 119.950 0.073 0.000 2.427 331 F HA 0.490 5.017 4.527 -0.000 0.000 0.348 331 F C -0.269 175.578 175.800 0.078 0.000 1.125 331 F CA -0.595 57.445 58.000 0.065 0.000 0.989 331 F CB 1.192 40.220 39.000 0.046 0.000 1.165 331 F HN 0.229 nan 8.300 nan 0.000 0.442 332 L N 3.308 124.646 121.223 0.192 0.000 2.305 332 L HA 0.336 4.676 4.340 -0.000 0.000 0.281 332 L C 0.245 177.215 176.870 0.166 0.000 1.085 332 L CA -0.562 54.370 54.840 0.153 0.000 0.813 332 L CB 1.208 43.319 42.059 0.087 0.000 1.157 332 L HN 0.610 nan 8.230 nan 0.000 0.436 333 Q N 5.540 125.444 119.800 0.174 0.000 2.293 333 Q HA 0.259 4.598 4.340 -0.000 0.000 0.263 333 Q C -2.245 173.820 176.000 0.109 0.000 1.002 333 Q CA -1.570 54.334 55.803 0.168 0.000 0.910 333 Q CB 1.198 30.051 28.738 0.191 0.000 1.185 333 Q HN 0.295 nan 8.270 nan 0.000 0.401 334 P HA 0.185 nan 4.420 nan 0.000 0.279 334 P C -1.082 176.269 177.300 0.084 0.000 1.276 334 P CA -0.491 62.648 63.100 0.066 0.000 0.801 334 P CB 0.904 32.631 31.700 0.045 0.000 1.127 335 R N -0.381 120.152 120.500 0.054 0.000 2.582 335 R HA 0.467 4.807 4.340 -0.000 0.000 0.271 335 R C 0.663 177.082 176.300 0.198 0.000 1.078 335 R CA 0.991 57.141 56.100 0.084 0.000 1.127 335 R CB -0.420 29.907 30.300 0.045 0.000 1.038 335 R HN 0.865 nan 8.270 nan 0.000 0.500 336 G N 3.507 112.413 108.800 0.177 0.000 2.698 336 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.233 336 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.233 336 G C -1.950 173.055 174.900 0.176 0.000 1.352 336 G CA -0.258 44.961 45.100 0.199 0.000 0.879 336 G HN 0.595 nan 8.290 nan 0.000 0.567 337 P HA 0.131 nan 4.420 nan 0.000 0.258 337 P C 0.322 177.605 177.300 -0.027 0.000 1.403 337 P CA 0.341 63.440 63.100 -0.001 0.000 0.826 337 P CB -0.398 31.262 31.700 -0.067 0.000 1.414 338 H N 0.577 119.705 119.070 0.097 0.000 2.607 338 H HA 0.440 4.996 4.556 -0.000 0.000 0.367 338 H C 0.918 176.335 175.328 0.150 0.000 1.181 338 H CA -0.086 56.023 56.048 0.102 0.000 1.402 338 H CB 0.447 30.254 29.762 0.075 0.000 1.474 338 H HN 0.089 nan 8.280 nan 0.000 0.596 339 A N 1.656 124.637 122.820 0.269 0.000 2.304 339 A HA 0.349 4.669 4.320 -0.000 0.000 0.271 339 A C -0.559 177.050 177.584 0.041 0.000 1.091 339 A CA -0.655 51.516 52.037 0.223 0.000 0.812 339 A CB 0.179 19.318 19.000 0.232 0.000 1.056 339 A HN 0.479 nan 8.150 nan 0.000 0.489 340 L N 2.098 123.185 121.223 -0.226 0.000 2.477 340 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 340 L C 1.298 178.179 176.870 0.019 0.000 1.157 340 L CA 1.226 55.992 54.840 -0.124 0.000 0.889 340 L CB 0.100 41.980 42.059 -0.300 0.000 1.158 340 L HN 0.898 nan 8.230 nan 0.000 0.473 341 G N 2.272 111.140 108.800 0.112 0.000 2.666 341 G HA2 0.564 4.524 3.960 -0.000 0.000 0.207 341 G HA3 0.564 4.524 3.960 -0.000 0.000 0.207 341 G C -0.094 174.937 174.900 0.218 0.000 1.481 341 G CA -0.012 45.167 45.100 0.132 0.000 1.071 341 G HN 0.855 nan 8.290 nan 0.000 0.572 342 A N -0.094 122.828 122.820 0.170 0.000 2.327 342 A HA 0.589 4.909 4.320 -0.000 0.000 0.255 342 A C -2.103 175.550 177.584 0.114 0.000 1.099 342 A CA -0.661 51.482 52.037 0.177 0.000 0.801 342 A CB -0.398 18.658 19.000 0.092 0.000 1.062 342 A HN 0.414 nan 8.150 nan 0.000 0.496 343 P HA 0.199 nan 4.420 nan 0.000 0.271 343 P C 0.327 177.513 177.300 -0.191 0.000 1.216 343 P CA 0.025 62.880 63.100 -0.409 0.000 0.771 343 P CB 0.881 32.342 31.700 -0.399 0.000 0.864 344 S N 1.394 116.984 115.700 -0.184 0.000 2.436 344 S HA 0.064 4.534 4.470 -0.000 0.000 0.228 344 S C 0.557 175.089 174.600 -0.114 0.000 1.014 344 S CA 0.575 58.716 58.200 -0.098 0.000 0.950 344 S CB -0.341 62.825 63.200 -0.056 0.000 0.784 344 S HN 0.416 nan 8.310 nan 0.000 0.504 345 L N 0.311 121.433 121.223 -0.167 0.000 2.556 345 L HA 0.499 4.839 4.340 -0.000 0.000 0.257 345 L C -2.181 174.555 176.870 -0.223 0.000 0.955 345 L CA -0.489 54.253 54.840 -0.163 0.000 0.850 345 L CB 1.450 43.425 42.059 -0.141 0.000 1.398 345 L HN 0.002 nan 8.230 nan 0.000 0.412 346 L N 5.293 126.379 121.223 -0.227 0.000 2.319 346 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 346 L C -1.026 175.682 176.870 -0.269 0.000 1.005 346 L CA -0.582 54.063 54.840 -0.324 0.000 0.828 346 L CB 1.625 43.476 42.059 -0.348 0.000 1.227 346 L HN 0.482 nan 8.230 nan 0.000 0.415 347 L N 3.267 124.334 121.223 -0.261 0.000 2.282 347 L HA 0.562 4.902 4.340 -0.000 0.000 0.288 347 L C -0.130 176.626 176.870 -0.190 0.000 1.033 347 L CA -0.194 54.532 54.840 -0.191 0.000 0.807 347 L CB 1.734 43.705 42.059 -0.148 0.000 1.209 347 L HN 0.557 nan 8.230 nan 0.000 0.423 348 T N 1.402 115.750 114.554 -0.343 0.000 2.841 348 T HA 0.462 4.812 4.350 -0.000 0.000 0.283 348 T C 0.417 174.738 174.700 -0.632 0.000 1.000 348 T CA -0.605 61.291 62.100 -0.340 0.000 0.977 348 T CB 1.812 70.581 68.868 -0.166 0.000 0.979 348 T HN 0.710 nan 8.240 nan 0.000 0.446 349 G N 0.882 109.328 108.800 -0.591 0.000 2.594 349 G HA2 0.372 4.332 3.960 -0.000 0.000 0.243 349 G HA3 0.372 4.332 3.960 -0.000 0.000 0.243 349 G C 0.991 175.766 174.900 -0.208 0.000 1.229 349 G CA 0.035 44.833 45.100 -0.503 0.000 0.843 349 G HN 0.820 nan 8.290 nan 0.000 0.578 350 T N -2.600 111.877 114.554 -0.127 0.000 2.969 350 T HA 0.178 4.528 4.350 -0.000 0.000 0.250 350 T C 0.862 175.552 174.700 -0.017 0.000 1.021 350 T CA 0.094 62.156 62.100 -0.063 0.000 1.003 350 T CB 0.234 69.070 68.868 -0.054 0.000 1.040 350 T HN 0.420 nan 8.240 nan 0.000 0.492 351 Q N 1.630 121.444 119.800 0.022 0.000 2.278 351 Q HA 0.541 4.881 4.340 -0.000 0.000 0.257 351 Q C -0.713 175.302 176.000 0.025 0.000 0.928 351 Q CA -0.921 54.906 55.803 0.040 0.000 0.932 351 Q CB 1.051 29.845 28.738 0.094 0.000 1.221 351 Q HN 0.398 nan 8.270 nan 0.000 0.434 352 L N 5.735 126.925 121.223 -0.056 0.000 2.601 352 L HA -0.020 4.320 4.340 -0.000 0.000 0.277 352 L C -0.689 176.115 176.870 -0.110 0.000 1.219 352 L CA 1.151 55.853 54.840 -0.230 0.000 0.915 352 L CB -0.415 41.412 42.059 -0.386 0.000 1.160 352 L HN 0.820 nan 8.230 nan 0.000 0.494 353 Y N 1.530 121.881 120.300 0.085 0.000 4.668 353 Y HA -0.234 4.315 4.550 -0.000 0.000 0.234 353 Y C 1.668 177.668 175.900 0.167 0.000 1.056 353 Y CA 0.878 59.030 58.100 0.087 0.000 2.025 353 Y CB -2.248 36.231 38.460 0.031 0.000 1.613 353 Y HN 0.679 nan 8.280 nan 0.000 0.653 354 G N -0.137 108.845 108.800 0.302 0.000 2.448 354 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.218 354 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.218 354 G C 0.896 176.018 174.900 0.370 0.000 1.135 354 G CA 0.427 45.729 45.100 0.336 0.000 0.784 354 G HN 0.452 nan 8.290 nan 0.000 0.543 355 R N -1.508 119.192 120.500 0.333 0.000 3.332 355 R HA -0.184 4.156 4.340 -0.000 0.000 0.263 355 R C -0.256 176.204 176.300 0.267 0.000 1.053 355 R CA 0.139 56.412 56.100 0.288 0.000 0.705 355 R CB -2.418 28.065 30.300 0.304 0.000 1.166 355 R HN 0.373 nan 8.270 nan 0.000 0.427 356 F N 0.976 121.015 119.950 0.147 0.000 2.608 356 F HA 0.227 4.754 4.527 -0.000 0.000 0.380 356 F C 1.579 177.443 175.800 0.106 0.000 1.083 356 F CA 1.861 59.935 58.000 0.123 0.000 1.266 356 F CB 0.666 39.736 39.000 0.117 0.000 1.076 356 F HN 0.410 nan 8.300 nan 0.000 0.574 357 G N 3.295 111.826 108.800 -0.449 0.000 2.132 357 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.234 357 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.234 357 G C 1.019 175.885 174.900 -0.056 0.000 0.989 357 G CA 0.515 45.457 45.100 -0.262 0.000 0.676 357 G HN 0.978 nan 8.290 nan 0.000 0.522 358 S N -0.811 114.861 115.700 -0.047 0.000 2.428 358 S HA 0.569 5.039 4.470 -0.000 0.000 0.230 358 S C 1.187 175.814 174.600 0.046 0.000 1.014 358 S CA 1.823 60.023 58.200 -0.001 0.000 0.957 358 S CB -0.080 63.132 63.200 0.020 0.000 0.784 358 S HN 1.987 nan 8.310 nan 0.000 0.499 359 A N 0.393 123.173 122.820 -0.066 0.000 2.520 359 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 359 A C -1.284 176.233 177.584 -0.111 0.000 1.051 359 A CA -0.693 51.281 52.037 -0.106 0.000 0.690 359 A CB 1.115 20.010 19.000 -0.174 0.000 1.281 359 A HN 0.368 nan 8.150 nan 0.000 0.402 360 I N 1.415 121.934 120.570 -0.085 0.000 2.478 360 I HA 0.622 4.792 4.170 -0.000 0.000 0.287 360 I C 0.098 176.193 176.117 -0.038 0.000 1.042 360 I CA -0.547 60.712 61.300 -0.067 0.000 1.067 360 I CB 2.149 40.113 38.000 -0.059 0.000 1.233 360 I HN 0.769 nan 8.210 nan 0.000 0.431 361 A N 7.556 130.367 122.820 -0.014 0.000 2.335 361 A HA 0.833 5.153 4.320 -0.000 0.000 0.304 361 A C -2.787 174.819 177.584 0.037 0.000 1.118 361 A CA -1.697 50.346 52.037 0.010 0.000 0.757 361 A CB 1.009 20.017 19.000 0.013 0.000 1.188 361 A HN 0.343 nan 8.150 nan 0.000 0.460 362 P HA 0.193 nan 4.420 nan 0.000 0.267 362 P C 0.293 177.631 177.300 0.064 0.000 1.205 362 P CA 0.096 63.227 63.100 0.052 0.000 0.765 362 P CB 0.589 32.313 31.700 0.041 0.000 0.828 363 L N 1.861 123.123 121.223 0.066 0.000 2.616 363 L HA 0.249 4.589 4.340 -0.000 0.000 0.229 363 L C 1.449 178.345 176.870 0.043 0.000 1.110 363 L CA 0.423 55.301 54.840 0.064 0.000 0.884 363 L CB -0.634 41.467 42.059 0.069 0.000 1.115 363 L HN 0.690 nan 8.230 nan 0.000 0.481 364 G N 0.851 109.675 108.800 0.040 0.000 2.562 364 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.250 364 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.250 364 G C -0.414 174.507 174.900 0.035 0.000 1.269 364 G CA -0.072 45.042 45.100 0.024 0.000 0.919 364 G HN 0.240 nan 8.290 nan 0.000 0.574 365 D N 0.588 120.996 120.400 0.013 0.000 2.456 365 D HA 0.427 5.066 4.640 -0.000 0.000 0.219 365 D C 1.505 177.821 176.300 0.027 0.000 1.126 365 D CA -0.478 53.536 54.000 0.022 0.000 0.890 365 D CB 0.899 41.692 40.800 -0.011 0.000 1.025 365 D HN 0.406 nan 8.370 nan 0.000 0.511 366 L N 3.603 124.865 121.223 0.066 0.000 2.083 366 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 366 L C 1.338 178.306 176.870 0.164 0.000 1.083 366 L CA 1.741 56.643 54.840 0.102 0.000 0.752 366 L CB 0.027 42.140 42.059 0.090 0.000 0.899 366 L HN 0.415 nan 8.230 nan 0.000 0.433 367 D N -2.092 118.386 120.400 0.129 0.000 2.431 367 D HA 0.006 4.646 4.640 -0.000 0.000 0.213 367 D C 0.516 176.880 176.300 0.107 0.000 1.130 367 D CA -0.300 53.798 54.000 0.163 0.000 0.834 367 D CB -0.125 40.749 40.800 0.123 0.000 0.985 367 D HN 0.255 nan 8.370 nan 0.000 0.504 368 R N 0.817 121.326 120.500 0.015 0.000 3.422 368 R HA -0.146 4.194 4.340 -0.000 0.000 0.267 368 R C -0.215 176.073 176.300 -0.020 0.000 1.074 368 R CA 1.052 57.114 56.100 -0.064 0.000 0.718 368 R CB -1.621 28.563 30.300 -0.193 0.000 1.157 368 R HN 0.386 nan 8.270 nan 0.000 0.440 369 D N -1.626 118.787 120.400 0.022 0.000 2.369 369 D HA 0.139 4.778 4.640 -0.000 0.000 0.211 369 D C 1.325 177.603 176.300 -0.037 0.000 1.077 369 D CA 0.814 54.834 54.000 0.034 0.000 0.842 369 D CB 0.467 41.333 40.800 0.110 0.000 0.947 369 D HN 0.390 nan 8.370 nan 0.000 0.509 370 G N -0.670 108.075 108.800 -0.092 0.000 2.278 370 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.210 370 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.210 370 G C -0.314 174.388 174.900 -0.330 0.000 1.000 370 G CA -0.345 44.605 45.100 -0.251 0.000 0.635 370 G HN 0.322 nan 8.290 nan 0.000 0.495 371 Y N 2.040 122.346 120.300 0.009 0.000 2.330 371 Y HA 0.590 5.140 4.550 -0.000 0.000 0.336 371 Y C 0.626 176.541 175.900 0.025 0.000 1.036 371 Y CA -1.139 56.972 58.100 0.019 0.000 1.125 371 Y CB 0.976 39.452 38.460 0.026 0.000 1.194 371 Y HN 0.022 nan 8.280 nan 0.000 0.469 372 N N 2.836 121.641 118.700 0.175 0.000 2.415 372 N HA 0.100 4.840 4.740 -0.000 0.000 0.248 372 N C -0.879 174.710 175.510 0.131 0.000 1.271 372 N CA 0.129 53.252 53.050 0.121 0.000 0.913 372 N CB 0.585 39.131 38.487 0.099 0.000 1.129 372 N HN 0.615 nan 8.380 nan 0.000 0.444 373 D N 0.023 120.487 120.400 0.106 0.000 2.493 373 D HA 0.561 5.201 4.640 -0.000 0.000 0.239 373 D C 0.188 176.552 176.300 0.106 0.000 1.049 373 D CA -0.356 53.711 54.000 0.112 0.000 1.008 373 D CB 1.963 42.825 40.800 0.103 0.000 1.398 373 D HN 0.476 nan 8.370 nan 0.000 0.513 374 I N -3.048 117.602 120.570 0.133 0.000 3.042 374 I HA 0.863 5.033 4.170 -0.000 0.000 0.310 374 I C -1.417 174.795 176.117 0.159 0.000 1.117 374 I CA -1.135 60.241 61.300 0.127 0.000 1.003 374 I CB 2.364 40.430 38.000 0.110 0.000 1.228 374 I HN 0.350 nan 8.210 nan 0.000 0.443 375 A N 3.570 126.457 122.820 0.111 0.000 2.355 375 A HA 0.814 5.134 4.320 -0.000 0.000 0.317 375 A C -1.055 176.569 177.584 0.066 0.000 1.094 375 A CA -0.628 51.465 52.037 0.094 0.000 0.764 375 A CB 1.674 20.688 19.000 0.023 0.000 1.230 375 A HN 0.565 nan 8.150 nan 0.000 0.448 376 V N 1.606 121.576 119.914 0.093 0.000 2.495 376 V HA 0.690 4.810 4.120 -0.000 0.000 0.298 376 V C 0.518 176.545 176.094 -0.111 0.000 1.031 376 V CA -0.415 61.833 62.300 -0.086 0.000 0.871 376 V CB 1.492 33.161 31.823 -0.256 0.000 0.988 376 V HN 1.209 nan 8.190 nan 0.000 0.432 377 A N 3.587 126.313 122.820 -0.157 0.000 2.301 377 A HA 0.846 5.166 4.320 -0.000 0.000 0.312 377 A C 0.263 177.813 177.584 -0.057 0.000 1.182 377 A CA -0.174 51.807 52.037 -0.093 0.000 0.826 377 A CB 1.035 19.966 19.000 -0.115 0.000 1.134 377 A HN 1.412 nan 8.150 nan 0.000 0.501 378 A N 4.213 127.083 122.820 0.083 0.000 2.802 378 A HA 0.651 4.971 4.320 -0.000 0.000 0.344 378 A C -2.129 175.542 177.584 0.145 0.000 1.215 378 A CA -1.359 50.790 52.037 0.187 0.000 0.821 378 A CB 0.392 19.600 19.000 0.346 0.000 1.099 378 A HN 0.478 nan 8.150 nan 0.000 0.479 379 P HA -0.117 nan 4.420 nan 0.000 0.223 379 P C -0.103 176.919 177.300 -0.464 0.000 1.144 379 P CA 1.581 64.570 63.100 -0.185 0.000 0.783 379 P CB -0.055 31.486 31.700 -0.265 0.000 0.771 380 Y N -2.097 118.320 120.300 0.195 0.000 2.715 380 Y HA 0.445 4.995 4.550 -0.000 0.000 0.255 380 Y C 1.519 177.522 175.900 0.172 0.000 1.139 380 Y CA -0.720 57.483 58.100 0.172 0.000 1.151 380 Y CB -0.010 38.544 38.460 0.157 0.000 1.201 380 Y HN -0.177 nan 8.280 nan 0.000 0.556 381 G N -0.190 108.761 108.800 0.253 0.000 2.543 381 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 381 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 381 G C 0.298 175.298 174.900 0.166 0.000 1.310 381 G CA 0.026 45.255 45.100 0.215 0.000 1.025 381 G HN 0.569 nan 8.290 nan 0.000 0.502 382 G N -1.381 107.498 108.800 0.132 0.000 2.733 382 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.686 382 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.686 382 G C -1.529 173.419 174.900 0.081 0.000 1.373 382 G CA -0.037 45.118 45.100 0.092 0.000 0.838 382 G HN 0.546 nan 8.290 nan 0.000 0.588 383 P HA -0.098 nan 4.420 nan 0.000 0.216 383 P C 2.053 179.387 177.300 0.056 0.000 1.150 383 P CA 2.497 65.625 63.100 0.048 0.000 0.843 383 P CB -0.009 31.711 31.700 0.032 0.000 0.787 384 S N -2.524 113.210 115.700 0.058 0.000 2.528 384 S HA 0.266 4.736 4.470 -0.000 0.000 0.219 384 S C 1.692 176.347 174.600 0.092 0.000 0.985 384 S CA 0.528 58.765 58.200 0.061 0.000 0.914 384 S CB -1.012 62.215 63.200 0.043 0.000 0.776 384 S HN 0.284 nan 8.310 nan 0.000 0.526 385 G N 1.865 110.736 108.800 0.117 0.000 2.143 385 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.249 385 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.249 385 G C 0.874 175.889 174.900 0.192 0.000 0.981 385 G CA 0.329 45.535 45.100 0.177 0.000 0.665 385 G HN 0.524 nan 8.290 nan 0.000 0.528 386 R N 0.318 120.893 120.500 0.126 0.000 2.189 386 R HA 0.361 4.701 4.340 -0.000 0.000 0.218 386 R C 1.465 177.830 176.300 0.108 0.000 1.074 386 R CA 1.052 57.213 56.100 0.102 0.000 0.991 386 R CB 0.001 30.325 30.300 0.040 0.000 0.883 386 R HN 1.534 nan 8.270 nan 0.000 0.457 387 G N 0.280 109.161 108.800 0.134 0.000 2.428 387 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.681 387 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.681 387 G C -1.575 173.505 174.900 0.301 0.000 1.340 387 G CA -0.882 44.352 45.100 0.223 0.000 0.915 387 G HN 0.108 nan 8.290 nan 0.000 0.645 388 Q N -0.928 119.100 119.800 0.381 0.000 2.353 388 Q HA 0.614 4.954 4.340 -0.000 0.000 0.275 388 Q C -1.371 174.802 176.000 0.289 0.000 1.029 388 Q CA -0.861 55.141 55.803 0.332 0.000 0.848 388 Q CB 2.802 31.666 28.738 0.210 0.000 1.390 388 Q HN 0.884 nan 8.270 nan 0.000 0.401 389 V N 3.957 124.025 119.914 0.256 0.000 2.487 389 V HA 0.524 4.643 4.120 -0.000 0.000 0.298 389 V C -0.980 175.133 176.094 0.032 0.000 1.028 389 V CA -0.679 61.667 62.300 0.076 0.000 0.860 389 V CB 1.554 33.347 31.823 -0.049 0.000 0.991 389 V HN 0.621 nan 8.190 nan 0.000 0.427 390 L N 5.347 126.590 121.223 0.033 0.000 2.313 390 L HA 0.593 4.933 4.340 -0.000 0.000 0.283 390 L C -0.212 176.532 176.870 -0.211 0.000 1.013 390 L CA -0.282 54.504 54.840 -0.090 0.000 0.816 390 L CB 1.936 44.007 42.059 0.019 0.000 1.236 390 L HN 0.374 nan 8.230 nan 0.000 0.419 391 V N 3.874 123.591 119.914 -0.329 0.000 2.383 391 V HA 0.412 4.532 4.120 -0.000 0.000 0.275 391 V C -0.511 175.331 176.094 -0.421 0.000 1.036 391 V CA -0.320 61.843 62.300 -0.229 0.000 0.889 391 V CB 0.824 32.573 31.823 -0.123 0.000 0.985 391 V HN 0.387 nan 8.190 nan 0.000 0.459 392 F N 4.968 124.939 119.950 0.035 0.000 2.444 392 F HA 0.574 5.101 4.527 -0.000 0.000 0.342 392 F C 0.134 175.952 175.800 0.029 0.000 1.121 392 F CA -0.649 57.371 58.000 0.034 0.000 0.997 392 F CB 1.338 40.363 39.000 0.042 0.000 1.130 392 F HN 0.200 nan 8.300 nan 0.000 0.454 393 L N 3.022 124.342 121.223 0.162 0.000 2.350 393 L HA 0.549 4.889 4.340 -0.000 0.000 0.275 393 L C 0.881 177.807 176.870 0.093 0.000 1.099 393 L CA -0.676 54.231 54.840 0.113 0.000 0.808 393 L CB 0.855 42.959 42.059 0.074 0.000 1.149 393 L HN 0.771 nan 8.230 nan 0.000 0.442 394 G N 1.881 110.734 108.800 0.088 0.000 2.539 394 G HA2 0.496 4.456 3.960 -0.000 0.000 0.258 394 G HA3 0.496 4.456 3.960 -0.000 0.000 0.258 394 G C -0.687 174.112 174.900 -0.168 0.000 1.202 394 G CA -0.179 44.938 45.100 0.029 0.000 0.851 394 G HN 0.745 nan 8.290 nan 0.000 0.556 395 Q N -1.685 117.855 119.800 -0.432 0.000 2.737 395 Q HA 0.472 4.812 4.340 -0.000 0.000 0.307 395 Q C 0.980 176.455 176.000 -0.874 0.000 0.905 395 Q CA -0.196 55.024 55.803 -0.973 0.000 0.753 395 Q CB 0.746 29.216 28.738 -0.446 0.000 1.463 395 Q HN 0.583 nan 8.270 nan 0.000 0.455 396 S N -0.244 114.993 115.700 -0.772 0.000 2.387 396 S HA -0.244 4.226 4.470 -0.000 0.000 0.230 396 S C 1.016 175.552 174.600 -0.106 0.000 1.035 396 S CA 1.821 59.899 58.200 -0.204 0.000 1.014 396 S CB -0.543 62.639 63.200 -0.030 0.000 0.836 396 S HN 0.636 nan 8.310 nan 0.000 0.466 397 E N 1.119 121.240 120.200 -0.131 0.000 2.427 397 E HA 0.323 4.672 4.350 -0.000 0.000 0.196 397 E C 1.432 177.994 176.600 -0.064 0.000 1.028 397 E CA 0.282 56.638 56.400 -0.073 0.000 0.864 397 E CB -0.040 29.620 29.700 -0.066 0.000 0.813 397 E HN 0.726 nan 8.360 nan 0.000 0.514 398 G N 0.761 109.509 108.800 -0.086 0.000 1.742 398 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.185 398 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.185 398 G C -0.738 174.130 174.900 -0.053 0.000 1.174 398 G CA -0.670 44.401 45.100 -0.048 0.000 1.276 398 G HN 0.055 nan 8.290 nan 0.000 0.424 399 L N 1.255 122.452 121.223 -0.044 0.000 2.323 399 L HA 0.696 5.036 4.340 -0.000 0.000 0.265 399 L C 0.217 177.086 176.870 -0.003 0.000 1.012 399 L CA -1.295 53.537 54.840 -0.014 0.000 0.820 399 L CB 1.925 43.971 42.059 -0.022 0.000 1.334 399 L HN 0.364 nan 8.230 nan 0.000 0.427 400 R N 0.414 120.951 120.500 0.062 0.000 2.441 400 R HA 0.145 4.485 4.340 -0.000 0.000 0.284 400 R C 0.812 177.200 176.300 0.147 0.000 1.070 400 R CA -0.206 55.941 56.100 0.078 0.000 1.047 400 R CB 1.288 31.639 30.300 0.086 0.000 1.016 400 R HN 0.670 nan 8.270 nan 0.000 0.477 401 S N 2.006 117.759 115.700 0.088 0.000 2.402 401 S HA -0.044 4.426 4.470 -0.000 0.000 0.229 401 S C 0.505 175.238 174.600 0.221 0.000 1.021 401 S CA 0.866 59.124 58.200 0.097 0.000 0.974 401 S CB 0.238 63.452 63.200 0.024 0.000 0.800 401 S HN 0.304 nan 8.310 nan 0.000 0.484 402 R N 2.488 123.087 120.500 0.166 0.000 2.254 402 R HA 0.422 4.762 4.340 -0.000 0.000 0.318 402 R C -2.696 173.652 176.300 0.080 0.000 1.031 402 R CA -2.889 53.282 56.100 0.118 0.000 0.905 402 R CB -0.156 30.171 30.300 0.044 0.000 1.050 402 R HN 0.322 nan 8.270 nan 0.000 0.456 403 P HA 0.024 nan 4.420 nan 0.000 0.271 403 P C 0.449 177.615 177.300 -0.223 0.000 1.216 403 P CA -0.085 62.736 63.100 -0.466 0.000 0.776 403 P CB 0.724 32.038 31.700 -0.643 0.000 0.881 404 S N 1.515 117.093 115.700 -0.202 0.000 2.423 404 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 404 S C 0.723 175.263 174.600 -0.102 0.000 1.014 404 S CA 0.561 58.700 58.200 -0.100 0.000 0.965 404 S CB -0.285 62.881 63.200 -0.058 0.000 0.785 404 S HN 0.714 nan 8.310 nan 0.000 0.495 405 Q N -0.516 119.194 119.800 -0.150 0.000 2.426 405 Q HA 0.558 4.898 4.340 -0.000 0.000 0.278 405 Q C -2.405 173.514 176.000 -0.135 0.000 1.007 405 Q CA -0.684 55.052 55.803 -0.112 0.000 0.850 405 Q CB 2.158 30.846 28.738 -0.083 0.000 1.427 405 Q HN 0.142 nan 8.270 nan 0.000 0.391 406 V N 4.012 123.875 119.914 -0.086 0.000 2.495 406 V HA 0.485 4.605 4.120 -0.000 0.000 0.298 406 V C -0.548 175.524 176.094 -0.038 0.000 1.031 406 V CA -0.665 61.600 62.300 -0.058 0.000 0.871 406 V CB 1.624 33.430 31.823 -0.027 0.000 0.988 406 V HN 0.695 nan 8.190 nan 0.000 0.432 407 L N 4.275 125.485 121.223 -0.022 0.000 2.276 407 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 407 L C -0.449 176.478 176.870 0.094 0.000 1.024 407 L CA -0.513 54.323 54.840 -0.007 0.000 0.826 407 L CB 1.229 43.203 42.059 -0.142 0.000 1.211 407 L HN 0.543 nan 8.230 nan 0.000 0.422 408 D N 1.633 122.039 120.400 0.009 0.000 2.255 408 D HA 0.060 4.700 4.640 -0.000 0.000 0.249 408 D C 0.213 176.306 176.300 -0.345 0.000 1.078 408 D CA 0.023 53.980 54.000 -0.071 0.000 0.896 408 D CB 1.931 42.698 40.800 -0.056 0.000 1.194 408 D HN 0.340 nan 8.370 nan 0.000 0.429 409 S N 1.992 117.326 115.700 -0.610 0.000 2.546 409 S HA 0.059 4.529 4.470 -0.000 0.000 0.290 409 S C -1.504 172.742 174.600 -0.590 0.000 1.290 409 S CA -0.932 56.582 58.200 -1.143 0.000 1.069 409 S CB 0.546 63.375 63.200 -0.620 0.000 0.846 409 S HN 0.283 nan 8.310 nan 0.000 0.495 410 P HA 0.224 nan 4.420 nan 0.000 0.261 410 P C -0.475 176.482 177.300 -0.572 0.000 1.268 410 P CA 0.024 62.825 63.100 -0.500 0.000 0.833 410 P CB 0.001 31.463 31.700 -0.398 0.000 1.231 411 F N 1.312 121.173 119.950 -0.150 0.000 2.450 411 F HA 0.516 5.043 4.527 -0.000 0.000 0.328 411 F C -1.737 174.015 175.800 -0.080 0.000 1.068 411 F CA -2.842 55.096 58.000 -0.104 0.000 1.007 411 F CB -0.667 38.312 39.000 -0.034 0.000 1.251 411 F HN -0.273 nan 8.300 nan 0.000 0.492 412 P HA 0.143 nan 4.420 nan 0.000 0.275 412 P C -0.566 176.783 177.300 0.080 0.000 1.266 412 P CA -0.463 62.681 63.100 0.073 0.000 0.793 412 P CB 0.226 31.955 31.700 0.048 0.000 1.074 413 T N 0.458 115.050 114.554 0.064 0.000 2.934 413 T HA 0.317 4.667 4.350 -0.000 0.000 0.306 413 T C 1.307 176.055 174.700 0.079 0.000 1.042 413 T CA 1.692 63.841 62.100 0.082 0.000 1.145 413 T CB -0.618 68.293 68.868 0.072 0.000 0.982 413 T HN 0.829 nan 8.240 nan 0.000 0.544 414 G N 2.016 110.887 108.800 0.118 0.000 2.175 414 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 414 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 414 G C 1.252 176.147 174.900 -0.008 0.000 0.982 414 G CA 0.846 46.008 45.100 0.103 0.000 0.641 414 G HN 1.016 nan 8.290 nan 0.000 0.527 415 S N 0.086 115.771 115.700 -0.025 0.000 2.447 415 S HA 0.362 4.832 4.470 -0.000 0.000 0.233 415 S C 2.073 176.499 174.600 -0.291 0.000 1.006 415 S CA 1.739 59.863 58.200 -0.127 0.000 0.957 415 S CB -0.255 62.953 63.200 0.013 0.000 0.773 415 S HN 2.408 nan 8.310 nan 0.000 0.507 416 A N -0.115 122.527 122.820 -0.296 0.000 2.872 416 A HA -0.208 4.112 4.320 -0.000 0.000 0.273 416 A C 0.188 177.687 177.584 -0.142 0.000 1.442 416 A CA 0.643 52.413 52.037 -0.445 0.000 0.801 416 A CB -3.017 15.528 19.000 -0.759 0.000 1.031 416 A HN 1.110 nan 8.150 nan 0.000 0.582 417 F N 0.394 120.273 119.950 -0.118 0.000 2.549 417 F HA 0.332 4.859 4.527 -0.000 0.000 0.400 417 F C 1.447 177.282 175.800 0.059 0.000 1.011 417 F CA 1.716 59.760 58.000 0.074 0.000 1.148 417 F CB -0.192 38.931 39.000 0.206 0.000 0.993 417 F HN 1.524 nan 8.300 nan 0.000 0.540 418 G N 5.165 113.716 108.800 -0.416 0.000 2.218 418 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.216 418 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.216 418 G C 0.861 175.694 174.900 -0.111 0.000 0.994 418 G CA 0.120 45.006 45.100 -0.356 0.000 0.637 418 G HN 0.756 nan 8.290 nan 0.000 0.505 419 F N 2.955 122.821 119.950 -0.140 0.000 2.225 419 F HA 0.105 4.632 4.527 -0.000 0.000 0.302 419 F C 1.510 177.250 175.800 -0.099 0.000 1.068 419 F CA 2.246 60.211 58.000 -0.059 0.000 1.327 419 F CB 0.127 39.160 39.000 0.056 0.000 1.043 419 F HN 0.546 nan 8.300 nan 0.000 0.506 420 S N -0.013 115.644 115.700 -0.072 0.000 2.536 420 S HA 0.730 5.200 4.470 -0.000 0.000 0.287 420 S C -1.121 173.407 174.600 -0.121 0.000 1.101 420 S CA -0.887 57.218 58.200 -0.158 0.000 0.950 420 S CB 2.408 65.555 63.200 -0.088 0.000 1.056 420 S HN 0.109 nan 8.310 nan 0.000 0.481 421 L N 1.274 122.424 121.223 -0.122 0.000 2.472 421 L HA 0.737 5.077 4.340 -0.000 0.000 0.260 421 L C -0.865 175.971 176.870 -0.058 0.000 0.963 421 L CA -0.710 54.079 54.840 -0.085 0.000 0.829 421 L CB 2.625 44.633 42.059 -0.085 0.000 1.348 421 L HN 0.788 nan 8.230 nan 0.000 0.408 422 R N 0.527 121.012 120.500 -0.025 0.000 2.584 422 R HA 0.798 5.138 4.340 -0.000 0.000 0.276 422 R C -0.840 175.620 176.300 0.267 0.000 1.046 422 R CA -0.170 55.963 56.100 0.054 0.000 0.906 422 R CB 2.258 32.497 30.300 -0.102 0.000 1.215 422 R HN 0.762 nan 8.270 nan 0.000 0.449 423 G N 0.356 109.364 108.800 0.347 0.000 3.166 423 G HA2 0.566 4.526 3.960 -0.000 0.000 0.267 423 G HA3 0.566 4.526 3.960 -0.000 0.000 0.267 423 G C -0.437 174.563 174.900 0.167 0.000 1.256 423 G CA -0.131 45.160 45.100 0.318 0.000 0.859 423 G HN 1.275 nan 8.290 nan 0.000 0.590 424 A N -2.558 120.268 122.820 0.009 0.000 3.201 424 A HA -0.050 4.270 4.320 -0.000 0.000 0.260 424 A C 0.209 177.664 177.584 -0.215 0.000 1.222 424 A CA 1.154 53.153 52.037 -0.063 0.000 1.124 424 A CB -2.038 16.961 19.000 -0.000 0.000 1.155 424 A HN 1.700 nan 8.150 nan 0.000 0.924 425 V N 0.630 120.257 119.914 -0.478 0.000 2.656 425 V HA 0.549 4.669 4.120 -0.000 0.000 0.307 425 V C -0.379 175.378 176.094 -0.561 0.000 1.051 425 V CA -0.117 61.779 62.300 -0.674 0.000 0.893 425 V CB 1.931 32.970 31.823 -1.307 0.000 0.999 425 V HN 0.456 nan 8.190 nan 0.000 0.426 426 D N 3.426 123.614 120.400 -0.354 0.000 2.441 426 D HA 0.225 4.864 4.640 -0.000 0.000 0.221 426 D C 0.772 176.896 176.300 -0.292 0.000 1.156 426 D CA 0.004 53.852 54.000 -0.252 0.000 0.896 426 D CB 0.937 41.645 40.800 -0.153 0.000 1.028 426 D HN 0.531 nan 8.370 nan 0.000 0.509 427 I N 2.458 122.808 120.570 -0.366 0.000 2.439 427 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 427 I C 0.986 176.735 176.117 -0.613 0.000 1.139 427 I CA 0.957 61.987 61.300 -0.449 0.000 1.438 427 I CB 0.371 38.070 38.000 -0.501 0.000 1.085 427 I HN 0.346 nan 8.210 nan 0.000 0.427 428 D N -1.374 118.700 120.400 -0.542 0.000 2.395 428 D HA -0.033 4.607 4.640 -0.000 0.000 0.213 428 D C 0.492 176.740 176.300 -0.088 0.000 1.110 428 D CA 0.066 53.865 54.000 -0.334 0.000 0.835 428 D CB -0.194 40.487 40.800 -0.198 0.000 0.965 428 D HN 0.252 nan 8.370 nan 0.000 0.505 429 D N 0.766 121.106 120.400 -0.099 0.000 2.907 429 D HA -0.205 4.435 4.640 -0.000 0.000 0.226 429 D C 0.481 176.784 176.300 0.005 0.000 1.141 429 D CA 1.063 55.040 54.000 -0.038 0.000 0.779 429 D CB -1.413 39.382 40.800 -0.009 0.000 1.095 429 D HN 0.444 nan 8.370 nan 0.000 0.430 430 N N -0.032 118.683 118.700 0.024 0.000 2.336 430 N HA 0.147 4.887 4.740 -0.000 0.000 0.189 430 N C 1.612 177.227 175.510 0.176 0.000 1.113 430 N CA 1.259 54.363 53.050 0.090 0.000 0.858 430 N CB 0.267 38.804 38.487 0.085 0.000 0.970 430 N HN 0.531 nan 8.380 nan 0.000 0.471 431 G N -0.837 108.015 108.800 0.087 0.000 2.175 431 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 431 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 431 G C -0.744 174.063 174.900 -0.154 0.000 0.982 431 G CA 0.208 45.296 45.100 -0.019 0.000 0.641 431 G HN 0.387 nan 8.290 nan 0.000 0.527 432 Y N 1.179 121.446 120.300 -0.055 0.000 2.376 432 Y HA 0.574 5.124 4.550 -0.000 0.000 0.340 432 Y C -2.098 173.757 175.900 -0.075 0.000 0.965 432 Y CA -2.541 55.530 58.100 -0.049 0.000 1.078 432 Y CB 2.386 40.829 38.460 -0.028 0.000 1.193 432 Y HN -0.037 nan 8.280 nan 0.000 0.452 433 P HA 0.139 nan 4.420 nan 0.000 0.275 433 P C -0.906 176.398 177.300 0.007 0.000 1.228 433 P CA -0.076 63.001 63.100 -0.038 0.000 0.786 433 P CB 1.613 33.283 31.700 -0.050 0.000 0.927 434 D N 1.180 121.558 120.400 -0.038 0.000 2.449 434 D HA 0.519 5.159 4.640 -0.000 0.000 0.250 434 D C -0.584 175.823 176.300 0.178 0.000 1.050 434 D CA -0.261 53.772 54.000 0.054 0.000 1.024 434 D CB 1.308 42.107 40.800 -0.002 0.000 1.218 434 D HN 0.167 nan 8.370 nan 0.000 0.566 435 L N 0.864 122.237 121.223 0.250 0.000 2.385 435 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 435 L C -1.083 175.983 176.870 0.327 0.000 0.990 435 L CA -0.669 54.343 54.840 0.288 0.000 0.821 435 L CB 1.393 43.571 42.059 0.198 0.000 1.279 435 L HN 0.381 nan 8.230 nan 0.000 0.412 436 I N 3.082 123.790 120.570 0.231 0.000 2.433 436 I HA 0.759 4.929 4.170 -0.000 0.000 0.292 436 I C -1.245 174.931 176.117 0.099 0.000 1.001 436 I CA -0.914 60.470 61.300 0.140 0.000 1.119 436 I CB 1.944 39.895 38.000 -0.081 0.000 1.289 436 I HN 0.270 nan 8.210 nan 0.000 0.438 437 V N 4.963 124.983 119.914 0.177 0.000 2.444 437 V HA 0.649 4.769 4.120 -0.000 0.000 0.294 437 V C 0.725 176.891 176.094 0.121 0.000 1.022 437 V CA -0.418 61.924 62.300 0.069 0.000 0.850 437 V CB 1.439 33.264 31.823 0.004 0.000 0.992 437 V HN 0.974 nan 8.190 nan 0.000 0.426 438 G N 2.923 111.746 108.800 0.039 0.000 2.395 438 G HA2 0.601 4.561 3.960 -0.000 0.000 0.283 438 G HA3 0.601 4.561 3.960 -0.000 0.000 0.283 438 G C -0.126 174.833 174.900 0.098 0.000 1.178 438 G CA -0.066 45.090 45.100 0.093 0.000 0.837 438 G HN 1.182 nan 8.290 nan 0.000 0.518 439 A N 2.184 125.049 122.820 0.074 0.000 3.030 439 A HA 0.462 4.782 4.320 -0.000 0.000 0.335 439 A C 0.471 177.989 177.584 -0.111 0.000 1.089 439 A CA -0.632 51.368 52.037 -0.062 0.000 0.807 439 A CB -0.065 18.766 19.000 -0.282 0.000 1.099 439 A HN 1.032 nan 8.150 nan 0.000 0.474 440 Y N -0.126 120.178 120.300 0.006 0.000 2.256 440 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 440 Y C 1.698 177.611 175.900 0.021 0.000 1.155 440 Y CA 1.685 59.818 58.100 0.055 0.000 1.203 440 Y CB -0.750 37.788 38.460 0.130 0.000 0.980 440 Y HN 0.358 nan 8.280 nan 0.000 0.530 441 G N 0.357 108.842 108.800 -0.525 0.000 2.448 441 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.219 441 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.219 441 G C 1.541 176.358 174.900 -0.139 0.000 1.127 441 G CA 0.742 45.659 45.100 -0.305 0.000 0.766 441 G HN 0.693 nan 8.290 nan 0.000 0.552 442 A N 0.170 122.870 122.820 -0.201 0.000 2.387 442 A HA 0.282 4.601 4.320 -0.000 0.000 0.234 442 A C 1.073 178.560 177.584 -0.162 0.000 1.253 442 A CA 0.274 52.183 52.037 -0.213 0.000 0.894 442 A CB -0.141 18.607 19.000 -0.420 0.000 0.963 442 A HN 0.270 nan 8.150 nan 0.000 0.508 443 N N 0.117 118.793 118.700 -0.039 0.000 2.727 443 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 443 N C -0.382 175.187 175.510 0.097 0.000 1.048 443 N CA 1.423 54.525 53.050 0.086 0.000 0.714 443 N CB -1.245 37.254 38.487 0.019 0.000 0.959 443 N HN 0.807 nan 8.380 nan 0.000 0.544 444 Q N -1.032 118.821 119.800 0.089 0.000 2.553 444 Q HA 0.724 5.064 4.340 -0.000 0.000 0.293 444 Q C -0.949 175.234 176.000 0.305 0.000 1.038 444 Q CA -0.836 55.074 55.803 0.178 0.000 0.777 444 Q CB 2.705 31.390 28.738 -0.089 0.000 1.487 444 Q HN 0.018 nan 8.270 nan 0.000 0.426 445 V N 0.584 120.811 119.914 0.522 0.000 2.638 445 V HA 0.754 4.874 4.120 -0.000 0.000 0.306 445 V C -1.139 175.321 176.094 0.609 0.000 1.052 445 V CA -0.648 61.942 62.300 0.483 0.000 0.885 445 V CB 1.743 33.793 31.823 0.379 0.000 0.999 445 V HN 0.832 nan 8.190 nan 0.000 0.424 446 A N 4.378 127.542 122.820 0.573 0.000 2.317 446 A HA 0.878 5.198 4.320 -0.000 0.000 0.327 446 A C -0.813 176.879 177.584 0.180 0.000 1.178 446 A CA -0.535 51.721 52.037 0.364 0.000 0.817 446 A CB 1.466 20.739 19.000 0.454 0.000 1.189 446 A HN 0.723 nan 8.150 nan 0.000 0.489 447 V N 2.746 122.659 119.914 -0.003 0.000 2.384 447 V HA 0.357 4.477 4.120 -0.000 0.000 0.287 447 V C -1.242 174.776 176.094 -0.126 0.000 1.020 447 V CA -0.372 61.989 62.300 0.101 0.000 0.850 447 V CB 0.624 32.642 31.823 0.325 0.000 0.987 447 V HN 0.746 nan 8.190 nan 0.000 0.436 448 Y N 3.543 123.916 120.300 0.123 0.000 2.331 448 Y HA 0.611 5.161 4.550 -0.000 0.000 0.338 448 Y C 0.622 176.559 175.900 0.063 0.000 0.992 448 Y CA -0.652 57.496 58.100 0.081 0.000 1.121 448 Y CB 1.426 39.936 38.460 0.084 0.000 1.184 448 Y HN 0.473 nan 8.280 nan 0.000 0.469 449 R N 1.847 122.441 120.500 0.156 0.000 2.368 449 R HA 0.708 5.048 4.340 -0.000 0.000 0.302 449 R C -0.438 175.900 176.300 0.063 0.000 1.002 449 R CA -0.798 55.348 56.100 0.076 0.000 0.929 449 R CB 1.187 31.514 30.300 0.045 0.000 1.073 449 R HN 0.793 nan 8.270 nan 0.000 0.464 450 A N 3.224 126.069 122.820 0.042 0.000 2.401 450 A HA 0.200 4.520 4.320 -0.000 0.000 0.259 450 A C -0.384 177.116 177.584 -0.140 0.000 1.103 450 A CA -0.342 51.698 52.037 0.005 0.000 0.789 450 A CB 0.571 19.629 19.000 0.097 0.000 1.035 450 A HN 0.518 nan 8.150 nan 0.000 0.491 451 Q N 1.330 120.992 119.800 -0.230 0.000 2.351 451 Q HA 0.493 4.833 4.340 -0.000 0.000 0.273 451 Q C -2.488 173.153 176.000 -0.597 0.000 1.077 451 Q CA -1.916 53.673 55.803 -0.355 0.000 0.843 451 Q CB 0.844 29.480 28.738 -0.170 0.000 1.367 451 Q HN 0.480 nan 8.270 nan 0.000 0.449 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.819 63.100 -0.468 0.000 0.800 452 P CB 0.000 31.571 31.700 -0.215 0.000 0.726