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 1sx3_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 0.882 123.703 122.820 0.001 0.000 2.425 3 A HA 0.585 4.904 4.320 -0.001 0.000 0.242 3 A C 0.105 177.693 177.584 0.007 0.000 1.077 3 A CA 0.230 52.273 52.037 0.009 0.000 0.781 3 A CB 0.057 19.065 19.000 0.013 0.000 1.020 3 A HN 0.617 nan 8.150 nan 0.000 0.494 4 K N 0.914 121.325 120.400 0.018 0.000 2.281 4 K HA 0.446 4.766 4.320 -0.001 0.000 0.242 4 K C -1.281 175.352 176.600 0.054 0.000 0.971 4 K CA -0.688 55.610 56.287 0.017 0.000 0.834 4 K CB 1.796 34.304 32.500 0.014 0.000 1.181 4 K HN 0.754 nan 8.250 nan 0.000 0.435 5 D N 0.744 121.194 120.400 0.083 0.000 2.192 5 D HA 0.424 5.063 4.640 -0.001 0.000 0.246 5 D C -1.305 175.168 176.300 0.288 0.000 1.042 5 D CA -0.607 53.515 54.000 0.202 0.000 0.847 5 D CB 1.421 42.394 40.800 0.289 0.000 1.186 5 D HN 0.047 nan 8.370 nan 0.000 0.461 6 V N 4.292 124.323 119.914 0.195 0.000 2.525 6 V HA 0.401 4.520 4.120 -0.001 0.000 0.299 6 V C -0.110 175.915 176.094 -0.116 0.000 1.034 6 V CA -0.771 61.551 62.300 0.036 0.000 0.863 6 V CB 1.794 33.604 31.823 -0.021 0.000 0.999 6 V HN 0.429 nan 8.190 nan 0.000 0.423 7 K N 3.806 124.029 120.400 -0.296 0.000 2.328 7 K HA 0.771 5.091 4.320 -0.001 0.000 0.246 7 K C -1.602 174.712 176.600 -0.476 0.000 0.955 7 K CA -0.601 55.463 56.287 -0.372 0.000 0.817 7 K CB 2.726 34.851 32.500 -0.624 0.000 1.208 7 K HN 0.430 nan 8.250 nan 0.000 0.432 8 F N -0.172 119.728 119.950 -0.084 0.000 2.577 8 F HA 0.404 4.931 4.527 -0.001 0.000 0.318 8 F C 1.160 176.930 175.800 -0.050 0.000 1.065 8 F CA 0.050 58.024 58.000 -0.044 0.000 0.929 8 F CB 1.846 40.829 39.000 -0.029 0.000 1.237 8 F HN 0.837 nan 8.300 nan 0.000 0.468 9 G N 2.159 111.062 108.800 0.172 0.000 2.627 9 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.312 9 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.312 9 G C 1.198 176.121 174.900 0.037 0.000 1.299 9 G CA 0.719 45.874 45.100 0.093 0.000 0.989 9 G HN 0.705 nan 8.290 nan 0.000 0.547 10 N N 0.742 119.457 118.700 0.026 0.000 2.091 10 N HA -0.155 4.585 4.740 -0.001 0.000 0.193 10 N C 1.771 177.270 175.510 -0.018 0.000 1.021 10 N CA 2.067 55.120 53.050 0.004 0.000 0.862 10 N CB -0.365 38.123 38.487 0.002 0.000 1.018 10 N HN 0.545 nan 8.380 nan 0.000 0.429 11 D N 0.507 120.890 120.400 -0.029 0.000 2.123 11 D HA -0.099 4.541 4.640 -0.001 0.000 0.196 11 D C 1.819 178.039 176.300 -0.132 0.000 0.992 11 D CA 1.100 55.052 54.000 -0.081 0.000 0.833 11 D CB -0.361 40.380 40.800 -0.099 0.000 0.954 11 D HN 0.304 nan 8.370 nan 0.000 0.455 12 A N 0.632 123.380 122.820 -0.121 0.000 1.898 12 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 12 A C 2.394 179.952 177.584 -0.045 0.000 1.181 12 A CA 1.963 53.925 52.037 -0.125 0.000 0.620 12 A CB -1.073 17.873 19.000 -0.091 0.000 0.819 12 A HN 0.296 nan 8.150 nan 0.000 0.442 13 G N -0.121 108.665 108.800 -0.022 0.000 2.440 13 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.218 13 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.218 13 G C 1.665 176.563 174.900 -0.003 0.000 1.154 13 G CA 1.931 47.029 45.100 -0.003 0.000 0.767 13 G HN 1.077 nan 8.290 nan 0.000 0.552 14 V N -0.655 119.250 119.914 -0.015 0.000 2.515 14 V HA -0.029 4.090 4.120 -0.001 0.000 0.250 14 V C 2.489 178.582 176.094 -0.002 0.000 1.058 14 V CA 2.160 64.454 62.300 -0.010 0.000 1.064 14 V CB -0.350 31.464 31.823 -0.014 0.000 0.675 14 V HN 0.119 nan 8.190 nan 0.000 0.461 15 K N 0.244 120.640 120.400 -0.008 0.000 1.985 15 K HA -0.041 4.279 4.320 -0.001 0.000 0.210 15 K C 2.299 178.932 176.600 0.055 0.000 1.047 15 K CA 2.177 58.483 56.287 0.031 0.000 0.932 15 K CB -0.826 31.704 32.500 0.049 0.000 0.716 15 K HN 0.505 nan 8.250 nan 0.000 0.439 16 M N 0.569 120.202 119.600 0.055 0.000 2.103 16 M HA -0.242 4.237 4.480 -0.001 0.000 0.255 16 M C 2.258 178.577 176.300 0.032 0.000 1.074 16 M CA 1.478 56.807 55.300 0.048 0.000 1.090 16 M CB -0.460 32.164 32.600 0.040 0.000 1.325 16 M HN 0.064 nan 8.290 nan 0.000 0.403 17 L N 0.239 121.476 121.223 0.023 0.000 2.056 17 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 17 L C 2.449 179.330 176.870 0.017 0.000 1.078 17 L CA 1.886 56.736 54.840 0.017 0.000 0.749 17 L CB -0.643 41.423 42.059 0.012 0.000 0.901 17 L HN 0.146 nan 8.230 nan 0.000 0.433 18 R N -0.044 120.467 120.500 0.020 0.000 2.075 18 R HA 0.006 4.346 4.340 -0.001 0.000 0.232 18 R C 2.189 178.502 176.300 0.021 0.000 1.126 18 R CA 1.689 57.800 56.100 0.019 0.000 0.963 18 R CB -1.435 28.878 30.300 0.020 0.000 0.858 18 R HN 0.397 nan 8.270 nan 0.000 0.435 19 G N 0.251 109.068 108.800 0.028 0.000 2.440 19 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 19 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 19 G C 1.489 176.399 174.900 0.016 0.000 1.154 19 G CA 1.170 46.284 45.100 0.024 0.000 0.767 19 G HN 0.358 nan 8.290 nan 0.000 0.552 20 V N 0.686 120.610 119.914 0.017 0.000 2.427 20 V HA -0.149 3.970 4.120 -0.001 0.000 0.248 20 V C 2.271 178.371 176.094 0.011 0.000 1.051 20 V CA 2.444 64.752 62.300 0.013 0.000 1.048 20 V CB -0.567 31.265 31.823 0.015 0.000 0.666 20 V HN 0.249 nan 8.190 nan 0.000 0.456 21 N N 0.712 119.419 118.700 0.011 0.000 2.149 21 N HA -0.116 4.624 4.740 -0.001 0.000 0.188 21 N C 1.809 177.323 175.510 0.007 0.000 1.019 21 N CA 1.858 54.913 53.050 0.009 0.000 0.857 21 N CB -0.605 37.888 38.487 0.009 0.000 0.997 21 N HN 0.517 nan 8.380 nan 0.000 0.426 22 V N 1.468 121.386 119.914 0.007 0.000 2.307 22 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 22 V C 2.411 178.507 176.094 0.002 0.000 1.045 22 V CA 1.019 63.322 62.300 0.004 0.000 1.024 22 V CB -0.560 31.266 31.823 0.005 0.000 0.651 22 V HN 0.198 nan 8.190 nan 0.000 0.449 23 L N 0.720 121.944 121.223 0.002 0.000 2.012 23 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 23 L C 2.372 179.242 176.870 0.001 0.000 1.073 23 L CA 2.505 57.344 54.840 -0.000 0.000 0.748 23 L CB -0.653 41.406 42.059 -0.001 0.000 0.891 23 L HN 0.216 nan 8.230 nan 0.000 0.431 24 A N -0.928 121.894 122.820 0.003 0.000 1.897 24 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 24 A C 1.943 179.529 177.584 0.003 0.000 1.181 24 A CA 1.500 53.540 52.037 0.004 0.000 0.620 24 A CB -0.752 18.252 19.000 0.008 0.000 0.821 24 A HN 0.530 nan 8.150 nan 0.000 0.443 25 D N 0.341 120.743 120.400 0.003 0.000 2.178 25 D HA -0.046 4.593 4.640 -0.001 0.000 0.201 25 D C 2.107 178.407 176.300 0.000 0.000 0.980 25 D CA 1.401 55.402 54.000 0.002 0.000 0.842 25 D CB -0.293 40.509 40.800 0.002 0.000 0.948 25 D HN 0.436 nan 8.370 nan 0.000 0.472 26 A N 0.273 123.093 122.820 -0.001 0.000 1.897 26 A HA -0.069 4.250 4.320 -0.001 0.000 0.215 26 A C 2.455 180.037 177.584 -0.003 0.000 1.181 26 A CA 0.870 52.906 52.037 -0.003 0.000 0.620 26 A CB -0.485 18.512 19.000 -0.004 0.000 0.821 26 A HN 0.144 nan 8.150 nan 0.000 0.443 27 V N 1.290 121.203 119.914 -0.002 0.000 2.488 27 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 27 V C 2.492 178.586 176.094 -0.001 0.000 1.046 27 V CA 2.059 64.358 62.300 -0.003 0.000 1.053 27 V CB -0.604 31.217 31.823 -0.003 0.000 0.679 27 V HN 0.828 nan 8.190 nan 0.000 0.458 28 K N 1.448 121.849 120.400 0.001 0.000 2.362 28 K HA -0.080 4.240 4.320 -0.001 0.000 0.200 28 K C 1.830 178.431 176.600 0.003 0.000 1.046 28 K CA 1.637 57.925 56.287 0.003 0.000 0.952 28 K CB -0.528 31.975 32.500 0.005 0.000 0.753 28 K HN 0.484 nan 8.250 nan 0.000 0.466 29 V N 0.104 120.019 119.914 0.001 0.000 2.970 29 V HA -0.104 4.015 4.120 -0.001 0.000 0.260 29 V C 1.924 178.018 176.094 0.000 0.000 1.100 29 V CA 1.655 63.956 62.300 0.001 0.000 1.122 29 V CB -1.006 30.816 31.823 -0.000 0.000 0.721 29 V HN 0.511 nan 8.190 nan 0.000 0.483 30 T N -1.936 112.618 114.554 -0.001 0.000 3.144 30 T HA 0.328 4.677 4.350 -0.001 0.000 0.249 30 T C 0.398 175.098 174.700 -0.001 0.000 1.089 30 T CA -0.134 61.965 62.100 -0.002 0.000 0.989 30 T CB -0.190 68.676 68.868 -0.004 0.000 0.992 30 T HN 0.404 nan 8.240 nan 0.000 0.540 31 L N 2.576 123.801 121.223 0.002 0.000 2.360 31 L HA 0.584 4.924 4.340 -0.001 0.000 0.276 31 L C 0.732 177.604 176.870 0.004 0.000 1.121 31 L CA 1.454 56.296 54.840 0.004 0.000 0.845 31 L CB -0.413 41.650 42.059 0.007 0.000 1.143 31 L HN 0.633 nan 8.230 nan 0.000 0.452 32 G N 4.535 113.336 108.800 0.002 0.000 2.760 32 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.246 32 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.246 32 G C -1.929 172.967 174.900 -0.006 0.000 1.359 32 G CA -0.277 44.823 45.100 -0.000 0.000 0.861 32 G HN 0.598 nan 8.290 nan 0.000 0.541 33 P HA 0.008 nan 4.420 nan 0.000 0.220 33 P C 0.945 178.235 177.300 -0.017 0.000 1.148 33 P CA 1.270 64.357 63.100 -0.021 0.000 0.803 33 P CB 0.086 31.764 31.700 -0.037 0.000 0.782 34 K N 0.494 120.888 120.400 -0.010 0.000 2.577 34 K HA 0.238 4.558 4.320 -0.001 0.000 0.210 34 K C 1.026 177.625 176.600 -0.001 0.000 1.048 34 K CA -0.178 56.106 56.287 -0.005 0.000 1.188 34 K CB -0.083 32.418 32.500 0.001 0.000 0.910 34 K HN 0.054 nan 8.250 nan 0.000 0.483 35 G N 1.706 110.505 108.800 -0.002 0.000 2.353 35 G HA2 0.014 3.973 3.960 -0.001 0.000 0.239 35 G HA3 0.014 3.973 3.960 -0.001 0.000 0.239 35 G C 0.193 175.091 174.900 -0.003 0.000 1.295 35 G CA -0.334 44.766 45.100 -0.002 0.000 0.884 35 G HN 0.086 nan 8.290 nan 0.000 0.537 36 R N 1.293 121.792 120.500 -0.002 0.000 2.637 36 R HA 0.117 4.457 4.340 -0.001 0.000 0.269 36 R C 0.385 176.683 176.300 -0.004 0.000 1.089 36 R CA -0.586 55.513 56.100 -0.002 0.000 1.177 36 R CB 0.249 30.548 30.300 -0.001 0.000 1.091 36 R HN 0.660 nan 8.270 nan 0.000 0.540 37 N N -0.712 117.986 118.700 -0.004 0.000 2.525 37 N HA 0.198 4.938 4.740 -0.001 0.000 0.271 37 N C -0.765 174.742 175.510 -0.005 0.000 1.194 37 N CA -0.232 52.815 53.050 -0.005 0.000 0.964 37 N CB 0.888 39.372 38.487 -0.005 0.000 1.126 37 N HN 0.116 nan 8.380 nan 0.000 0.452 38 V N 1.761 121.671 119.914 -0.006 0.000 2.555 38 V HA 0.374 4.494 4.120 -0.001 0.000 0.302 38 V C -0.248 175.842 176.094 -0.007 0.000 1.038 38 V CA -0.862 61.434 62.300 -0.007 0.000 0.887 38 V CB 1.865 33.684 31.823 -0.007 0.000 0.991 38 V HN 0.319 nan 8.190 nan 0.000 0.434 39 V N 5.971 125.880 119.914 -0.008 0.000 2.370 39 V HA 0.476 4.595 4.120 -0.001 0.000 0.279 39 V C -0.278 175.810 176.094 -0.011 0.000 1.029 39 V CA -0.399 61.896 62.300 -0.009 0.000 0.870 39 V CB 1.368 33.186 31.823 -0.008 0.000 0.984 39 V HN 0.628 nan 8.190 nan 0.000 0.451 40 L N 3.832 125.049 121.223 -0.011 0.000 2.298 40 L HA 0.527 4.867 4.340 -0.001 0.000 0.284 40 L C -0.125 176.735 176.870 -0.016 0.000 1.013 40 L CA -0.608 54.224 54.840 -0.014 0.000 0.824 40 L CB 1.580 43.632 42.059 -0.012 0.000 1.221 40 L HN 0.489 nan 8.230 nan 0.000 0.418 41 D N 3.454 123.840 120.400 -0.022 0.000 2.399 41 D HA 0.219 4.858 4.640 -0.001 0.000 0.241 41 D C -0.476 175.803 176.300 -0.035 0.000 1.133 41 D CA 0.403 54.384 54.000 -0.031 0.000 0.890 41 D CB 0.965 41.741 40.800 -0.040 0.000 1.201 41 D HN 0.337 nan 8.370 nan 0.000 0.432 42 K N 0.288 120.662 120.400 -0.043 0.000 2.469 42 K HA 0.189 4.508 4.320 -0.001 0.000 0.254 42 K C 0.598 177.138 176.600 -0.101 0.000 0.939 42 K CA -0.521 55.743 56.287 -0.039 0.000 0.812 42 K CB 1.791 34.290 32.500 -0.001 0.000 1.301 42 K HN 0.394 nan 8.250 nan 0.000 0.433 43 S N 0.989 116.595 115.700 -0.156 0.000 2.522 43 S HA 0.094 4.563 4.470 -0.001 0.000 0.227 43 S C 0.213 174.387 174.600 -0.710 0.000 0.986 43 S CA 0.313 58.260 58.200 -0.421 0.000 0.929 43 S CB -0.162 62.757 63.200 -0.470 0.000 0.769 43 S HN 0.370 nan 8.310 nan 0.000 0.529 44 F N 1.141 121.088 119.950 -0.005 0.000 2.557 44 F HA 0.672 5.198 4.527 -0.001 0.000 0.316 44 F C 0.894 176.691 175.800 -0.004 0.000 1.141 44 F CA -0.025 57.973 58.000 -0.004 0.000 0.922 44 F CB 1.638 40.635 39.000 -0.004 0.000 1.194 44 F HN 0.349 nan 8.300 nan 0.000 0.443 45 G N 1.350 110.241 108.800 0.151 0.000 2.632 45 G HA2 0.239 4.198 3.960 -0.001 0.000 0.224 45 G HA3 0.239 4.198 3.960 -0.001 0.000 0.224 45 G C -0.650 174.278 174.900 0.047 0.000 1.341 45 G CA -0.579 44.578 45.100 0.096 0.000 0.880 45 G HN 1.203 nan 8.290 nan 0.000 0.566 46 A N 1.426 124.268 122.820 0.036 0.000 2.388 46 A HA 0.722 5.041 4.320 -0.001 0.000 0.257 46 A C -1.056 176.535 177.584 0.013 0.000 1.095 46 A CA -0.029 52.020 52.037 0.019 0.000 0.791 46 A CB -0.083 18.926 19.000 0.015 0.000 1.029 46 A HN 0.833 nan 8.150 nan 0.000 0.489 47 P HA 0.234 nan 4.420 nan 0.000 0.272 47 P C -0.210 177.090 177.300 0.000 0.000 1.240 47 P CA -0.082 63.016 63.100 -0.002 0.000 0.791 47 P CB 0.288 31.982 31.700 -0.009 0.000 0.978 48 T N 1.519 116.072 114.554 -0.002 0.000 2.889 48 T HA 0.455 4.805 4.350 -0.001 0.000 0.291 48 T C 0.392 175.090 174.700 -0.004 0.000 0.995 48 T CA -0.023 62.077 62.100 -0.001 0.000 1.092 48 T CB -0.011 68.855 68.868 -0.002 0.000 0.954 48 T HN 0.196 nan 8.240 nan 0.000 0.506 49 I N 2.302 122.870 120.570 -0.004 0.000 2.418 49 I HA 0.482 4.652 4.170 -0.001 0.000 0.287 49 I C 0.198 176.312 176.117 -0.006 0.000 1.008 49 I CA -0.479 60.818 61.300 -0.005 0.000 1.104 49 I CB 2.078 40.075 38.000 -0.004 0.000 1.264 49 I HN 0.527 nan 8.210 nan 0.000 0.438 50 T N 4.292 118.842 114.554 -0.007 0.000 2.900 50 T HA 0.412 4.761 4.350 -0.001 0.000 0.303 50 T C -0.202 174.493 174.700 -0.008 0.000 1.142 50 T CA -0.579 61.516 62.100 -0.008 0.000 1.007 50 T CB 1.670 70.532 68.868 -0.009 0.000 1.156 50 T HN 0.631 nan 8.240 nan 0.000 0.490 51 K N 1.741 122.136 120.400 -0.009 0.000 2.537 51 K HA 0.231 4.550 4.320 -0.001 0.000 0.206 51 K C -0.783 175.811 176.600 -0.010 0.000 1.041 51 K CA -0.212 56.070 56.287 -0.009 0.000 1.090 51 K CB 0.444 32.939 32.500 -0.009 0.000 0.833 51 K HN 0.479 nan 8.250 nan 0.000 0.493 52 D N -0.660 119.733 120.400 -0.012 0.000 2.381 52 D HA 0.174 4.814 4.640 -0.001 0.000 0.235 52 D C 1.165 177.457 176.300 -0.014 0.000 1.068 52 D CA -0.421 53.570 54.000 -0.014 0.000 0.832 52 D CB 1.457 42.247 40.800 -0.017 0.000 1.101 52 D HN 0.098 nan 8.370 nan 0.000 0.515 53 G N 2.294 111.087 108.800 -0.013 0.000 2.440 53 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.218 53 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.218 53 G C 1.497 176.388 174.900 -0.015 0.000 1.154 53 G CA 0.858 45.951 45.100 -0.012 0.000 0.767 53 G HN 0.479 nan 8.290 nan 0.000 0.552 54 V N 1.195 121.097 119.914 -0.019 0.000 2.287 54 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 54 V C 3.141 179.222 176.094 -0.022 0.000 1.053 54 V CA 2.337 64.623 62.300 -0.023 0.000 1.027 54 V CB -0.721 31.084 31.823 -0.029 0.000 0.646 54 V HN 0.393 nan 8.190 nan 0.000 0.447 55 S N -0.251 115.437 115.700 -0.020 0.000 2.374 55 S HA -0.200 4.270 4.470 -0.001 0.000 0.227 55 S C 1.962 176.552 174.600 -0.016 0.000 1.037 55 S CA 1.703 59.893 58.200 -0.018 0.000 1.024 55 S CB -0.325 62.865 63.200 -0.015 0.000 0.861 55 S HN 0.407 nan 8.310 nan 0.000 0.456 56 V N 1.845 121.750 119.914 -0.014 0.000 2.307 56 V HA -0.149 3.971 4.120 -0.001 0.000 0.245 56 V C 2.667 178.752 176.094 -0.014 0.000 1.045 56 V CA 1.547 63.840 62.300 -0.013 0.000 1.024 56 V CB -1.281 30.535 31.823 -0.011 0.000 0.651 56 V HN 0.539 nan 8.190 nan 0.000 0.449 57 A N -0.015 122.796 122.820 -0.015 0.000 1.917 57 A HA -0.282 4.038 4.320 -0.001 0.000 0.219 57 A C 2.363 179.936 177.584 -0.019 0.000 1.182 57 A CA 2.067 54.094 52.037 -0.016 0.000 0.633 57 A CB -0.592 18.397 19.000 -0.019 0.000 0.819 57 A HN 0.491 nan 8.150 nan 0.000 0.448 58 R N -0.712 119.776 120.500 -0.021 0.000 2.159 58 R HA -0.105 4.235 4.340 -0.001 0.000 0.237 58 R C 1.525 177.813 176.300 -0.021 0.000 1.131 58 R CA 1.293 57.379 56.100 -0.023 0.000 0.982 58 R CB -0.134 30.152 30.300 -0.023 0.000 0.868 58 R HN 0.506 nan 8.270 nan 0.000 0.453 59 E N 0.138 120.327 120.200 -0.018 0.000 2.385 59 E HA 0.019 4.369 4.350 -0.001 0.000 0.194 59 E C 0.373 176.962 176.600 -0.018 0.000 1.013 59 E CA 0.221 56.610 56.400 -0.018 0.000 0.866 59 E CB 0.264 29.954 29.700 -0.017 0.000 0.832 59 E HN 0.148 nan 8.360 nan 0.000 0.500 60 I N 2.359 122.919 120.570 -0.017 0.000 2.436 60 I HA 0.091 4.260 4.170 -0.001 0.000 0.289 60 I C 0.371 176.479 176.117 -0.016 0.000 1.083 60 I CA 0.299 61.590 61.300 -0.015 0.000 1.372 60 I CB -0.123 37.870 38.000 -0.012 0.000 1.408 60 I HN -0.017 nan 8.210 nan 0.000 0.516 61 E N 7.387 127.577 120.200 -0.017 0.000 2.304 61 E HA 0.579 4.928 4.350 -0.001 0.000 0.277 61 E C -1.831 174.759 176.600 -0.017 0.000 0.898 61 E CA -0.608 55.781 56.400 -0.019 0.000 0.764 61 E CB 1.932 31.619 29.700 -0.022 0.000 1.216 61 E HN 0.453 nan 8.360 nan 0.000 0.419 62 L N 3.209 124.423 121.223 -0.016 0.000 2.303 62 L HA 0.443 4.782 4.340 -0.001 0.000 0.266 62 L C 1.275 178.138 176.870 -0.013 0.000 1.011 62 L CA -0.649 54.186 54.840 -0.009 0.000 0.818 62 L CB 1.695 43.754 42.059 -0.000 0.000 1.326 62 L HN 0.756 nan 8.230 nan 0.000 0.435 63 E N 0.280 120.476 120.200 -0.006 0.000 2.030 63 E HA -0.123 4.226 4.350 -0.001 0.000 0.189 63 E C 0.391 176.989 176.600 -0.003 0.000 0.974 63 E CA 0.116 56.512 56.400 -0.007 0.000 0.807 63 E CB 0.247 29.946 29.700 -0.001 0.000 0.771 63 E HN 0.680 nan 8.360 nan 0.000 0.451 64 D N 1.155 121.566 120.400 0.018 0.000 2.581 64 D HA -0.105 4.534 4.640 -0.001 0.000 0.238 64 D C 0.621 176.931 176.300 0.016 0.000 1.145 64 D CA 0.313 54.341 54.000 0.046 0.000 0.866 64 D CB 0.861 41.710 40.800 0.082 0.000 1.151 64 D HN 0.114 nan 8.370 nan 0.000 0.500 65 K N 3.591 123.967 120.400 -0.040 0.000 2.283 65 K HA -0.115 4.205 4.320 -0.001 0.000 0.202 65 K C 1.751 178.190 176.600 -0.269 0.000 1.048 65 K CA 0.818 56.985 56.287 -0.200 0.000 0.948 65 K CB -0.015 32.274 32.500 -0.352 0.000 0.742 65 K HN 0.466 nan 8.250 nan 0.000 0.458 66 F N 1.791 121.729 119.950 -0.020 0.000 2.188 66 F HA 0.000 4.527 4.527 -0.001 0.000 0.289 66 F C 2.342 178.131 175.800 -0.019 0.000 1.082 66 F CA 0.722 58.708 58.000 -0.024 0.000 1.282 66 F CB -0.426 38.558 39.000 -0.026 0.000 1.060 66 F HN -0.003 nan 8.300 nan 0.000 0.493 67 E N 0.300 120.609 120.200 0.181 0.000 2.086 67 E HA -0.336 4.013 4.350 -0.001 0.000 0.200 67 E C 1.775 178.400 176.600 0.041 0.000 1.012 67 E CA 1.771 58.223 56.400 0.087 0.000 0.812 67 E CB -0.531 29.208 29.700 0.065 0.000 0.743 67 E HN 0.301 nan 8.360 nan 0.000 0.453 68 N N 0.478 119.186 118.700 0.013 0.000 2.149 68 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 68 N C 1.729 177.227 175.510 -0.021 0.000 1.019 68 N CA 1.347 54.387 53.050 -0.016 0.000 0.857 68 N CB -0.038 38.424 38.487 -0.041 0.000 0.997 68 N HN 0.114 nan 8.380 nan 0.000 0.426 69 M N -0.893 118.691 119.600 -0.026 0.000 2.117 69 M HA -0.011 4.468 4.480 -0.001 0.000 0.262 69 M C 2.163 178.467 176.300 0.006 0.000 1.065 69 M CA 1.589 56.876 55.300 -0.022 0.000 1.114 69 M CB -0.492 32.089 32.600 -0.031 0.000 1.361 69 M HN 0.300 nan 8.290 nan 0.000 0.408 70 G N -0.048 108.768 108.800 0.028 0.000 2.440 70 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.218 70 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.218 70 G C 1.615 176.522 174.900 0.013 0.000 1.154 70 G CA 1.042 46.157 45.100 0.025 0.000 0.767 70 G HN 0.545 nan 8.290 nan 0.000 0.552 71 A N 0.030 122.855 122.820 0.008 0.000 1.902 71 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 71 A C 2.426 180.006 177.584 -0.006 0.000 1.181 71 A CA 1.996 54.034 52.037 0.001 0.000 0.623 71 A CB -0.315 18.683 19.000 -0.002 0.000 0.818 71 A HN 0.336 nan 8.150 nan 0.000 0.443 72 Q N -0.632 119.161 119.800 -0.010 0.000 2.123 72 Q HA -0.053 4.286 4.340 -0.001 0.000 0.199 72 Q C 2.174 178.166 176.000 -0.014 0.000 0.966 72 Q CA 1.345 57.137 55.803 -0.017 0.000 0.845 72 Q CB -0.544 28.179 28.738 -0.025 0.000 0.907 72 Q HN 0.774 nan 8.270 nan 0.000 0.439 73 M N -0.114 119.482 119.600 -0.007 0.000 2.065 73 M HA -0.161 4.318 4.480 -0.001 0.000 0.259 73 M C 2.317 178.619 176.300 0.003 0.000 1.071 73 M CA 1.509 56.809 55.300 -0.000 0.000 1.109 73 M CB -0.632 31.973 32.600 0.008 0.000 1.313 73 M HN 0.107 nan 8.290 nan 0.000 0.408 74 V N 0.271 120.189 119.914 0.006 0.000 2.515 74 V HA -0.239 3.880 4.120 -0.001 0.000 0.250 74 V C 1.997 178.090 176.094 -0.001 0.000 1.058 74 V CA 1.900 64.205 62.300 0.008 0.000 1.064 74 V CB -0.479 31.351 31.823 0.012 0.000 0.675 74 V HN 0.422 nan 8.190 nan 0.000 0.461 75 K N -0.276 120.118 120.400 -0.010 0.000 2.286 75 K HA -0.168 4.151 4.320 -0.001 0.000 0.203 75 K C 2.032 178.612 176.600 -0.034 0.000 1.045 75 K CA 1.501 57.776 56.287 -0.021 0.000 0.935 75 K CB -0.089 32.397 32.500 -0.023 0.000 0.737 75 K HN 0.479 nan 8.250 nan 0.000 0.460 76 E N 0.110 120.291 120.200 -0.031 0.000 2.268 76 E HA -0.120 4.230 4.350 -0.001 0.000 0.195 76 E C 1.865 178.418 176.600 -0.078 0.000 0.995 76 E CA 0.629 56.998 56.400 -0.051 0.000 0.836 76 E CB 0.101 29.784 29.700 -0.029 0.000 0.763 76 E HN 0.100 nan 8.360 nan 0.000 0.491 77 V N 1.310 121.201 119.914 -0.037 0.000 2.270 77 V HA -0.236 3.884 4.120 -0.001 0.000 0.245 77 V C 2.456 178.507 176.094 -0.071 0.000 1.043 77 V CA 1.768 64.054 62.300 -0.023 0.000 1.014 77 V CB -0.841 31.003 31.823 0.036 0.000 0.645 77 V HN 0.240 nan 8.190 nan 0.000 0.447 78 A N 0.834 123.626 122.820 -0.047 0.000 1.892 78 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 78 A C 2.556 180.081 177.584 -0.098 0.000 1.188 78 A CA 2.965 54.971 52.037 -0.052 0.000 0.631 78 A CB -0.957 18.022 19.000 -0.034 0.000 0.822 78 A HN 0.708 nan 8.150 nan 0.000 0.447 79 S N -0.405 115.228 115.700 -0.111 0.000 2.387 79 S HA -0.125 4.344 4.470 -0.001 0.000 0.226 79 S C 1.841 176.320 174.600 -0.201 0.000 1.026 79 S CA 1.385 59.511 58.200 -0.123 0.000 0.972 79 S CB -0.292 62.853 63.200 -0.092 0.000 0.814 79 S HN 0.580 nan 8.310 nan 0.000 0.477 80 K N 1.908 122.106 120.400 -0.337 0.000 2.026 80 K HA 0.152 4.471 4.320 -0.001 0.000 0.208 80 K C 2.564 178.750 176.600 -0.691 0.000 1.048 80 K CA 1.175 57.083 56.287 -0.632 0.000 0.929 80 K CB -0.672 31.144 32.500 -1.140 0.000 0.713 80 K HN 0.458 nan 8.250 nan 0.000 0.439 81 A N 1.744 124.244 122.820 -0.534 0.000 1.948 81 A HA -0.291 4.028 4.320 -0.001 0.000 0.220 81 A C 1.999 179.547 177.584 -0.059 0.000 1.177 81 A CA 2.180 54.141 52.037 -0.127 0.000 0.636 81 A CB -0.758 18.256 19.000 0.024 0.000 0.815 81 A HN 0.312 nan 8.150 nan 0.000 0.449 82 N N 0.266 118.913 118.700 -0.089 0.000 2.039 82 N HA -0.148 4.592 4.740 -0.001 0.000 0.193 82 N C 1.198 176.692 175.510 -0.026 0.000 1.044 82 N CA 1.830 54.853 53.050 -0.043 0.000 0.847 82 N CB -0.435 38.019 38.487 -0.055 0.000 1.030 82 N HN 0.391 nan 8.380 nan 0.000 0.422 83 D N -0.019 120.343 120.400 -0.063 0.000 2.149 83 D HA -0.162 4.477 4.640 -0.001 0.000 0.194 83 D C 1.555 177.855 176.300 0.001 0.000 1.001 83 D CA 1.560 55.535 54.000 -0.041 0.000 0.849 83 D CB -0.519 40.235 40.800 -0.078 0.000 0.939 83 D HN 0.471 nan 8.370 nan 0.000 0.449 84 A N -0.423 122.405 122.820 0.013 0.000 2.021 84 A HA 0.376 4.695 4.320 -0.001 0.000 0.216 84 A C 1.936 179.575 177.584 0.092 0.000 1.163 84 A CA 1.641 53.732 52.037 0.089 0.000 0.676 84 A CB 0.233 19.364 19.000 0.218 0.000 0.818 84 A HN 0.249 nan 8.150 nan 0.000 0.453 85 A N -3.214 119.666 122.820 0.101 0.000 2.334 85 A HA 0.461 4.781 4.320 -0.001 0.000 0.184 85 A C 1.602 179.314 177.584 0.213 0.000 1.594 85 A CA 0.992 53.101 52.037 0.119 0.000 1.162 85 A CB -0.478 18.589 19.000 0.111 0.000 1.426 85 A HN 1.835 nan 8.150 nan 0.000 0.494 86 G N -0.061 108.835 108.800 0.159 0.000 2.249 86 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.273 86 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.273 86 G C -0.218 174.709 174.900 0.046 0.000 1.036 86 G CA 1.046 46.211 45.100 0.108 0.000 0.824 86 G HN 0.960 nan 8.290 nan 0.000 0.504 87 D N -2.899 117.540 120.400 0.065 0.000 2.755 87 D HA 0.549 5.189 4.640 -0.001 0.000 0.277 87 D C 0.875 177.200 176.300 0.042 0.000 1.261 87 D CA 1.259 55.281 54.000 0.037 0.000 0.759 87 D CB 0.214 41.054 40.800 0.067 0.000 1.279 87 D HN 1.383 nan 8.370 nan 0.000 0.420 88 G N 0.071 108.889 108.800 0.030 0.000 2.143 88 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.249 88 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.249 88 G C 0.993 175.910 174.900 0.030 0.000 0.981 88 G CA 1.769 46.890 45.100 0.035 0.000 0.665 88 G HN 1.020 nan 8.290 nan 0.000 0.528 89 T N -3.085 111.477 114.554 0.014 0.000 2.867 89 T HA -0.035 4.315 4.350 -0.001 0.000 0.268 89 T C 2.218 176.922 174.700 0.007 0.000 1.057 89 T CA 2.450 64.553 62.100 0.004 0.000 1.136 89 T CB -0.396 68.464 68.868 -0.014 0.000 0.874 89 T HN 0.313 nan 8.240 nan 0.000 0.466 90 T N 1.882 116.440 114.554 0.007 0.000 2.851 90 T HA -0.039 4.310 4.350 -0.001 0.000 0.262 90 T C 2.247 176.956 174.700 0.015 0.000 1.043 90 T CA 1.614 63.718 62.100 0.008 0.000 1.140 90 T CB -0.903 67.967 68.868 0.004 0.000 0.872 90 T HN 0.466 nan 8.240 nan 0.000 0.446 91 T N 2.432 116.998 114.554 0.019 0.000 2.665 91 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 91 T C 2.402 177.121 174.700 0.031 0.000 1.035 91 T CA 1.414 63.529 62.100 0.025 0.000 1.151 91 T CB -0.694 68.191 68.868 0.028 0.000 0.862 91 T HN 0.444 nan 8.240 nan 0.000 0.438 92 A N 1.142 123.986 122.820 0.040 0.000 1.917 92 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 92 A C 2.564 180.172 177.584 0.041 0.000 1.182 92 A CA 2.294 54.363 52.037 0.053 0.000 0.633 92 A CB -1.250 17.794 19.000 0.073 0.000 0.819 92 A HN 0.511 nan 8.150 nan 0.000 0.448 93 T N -0.757 113.813 114.554 0.027 0.000 2.857 93 T HA -0.083 4.266 4.350 -0.001 0.000 0.266 93 T C 1.962 176.673 174.700 0.019 0.000 1.048 93 T CA 1.445 63.557 62.100 0.020 0.000 1.139 93 T CB -0.506 68.369 68.868 0.010 0.000 0.874 93 T HN 0.524 nan 8.240 nan 0.000 0.455 94 V N 1.345 121.270 119.914 0.018 0.000 2.343 94 V HA -0.084 4.035 4.120 -0.001 0.000 0.247 94 V C 2.163 178.268 176.094 0.019 0.000 1.051 94 V CA 1.535 63.845 62.300 0.016 0.000 1.036 94 V CB -0.795 31.036 31.823 0.014 0.000 0.654 94 V HN 0.486 nan 8.190 nan 0.000 0.451 95 L N 0.615 121.853 121.223 0.024 0.000 2.017 95 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 95 L C 3.023 179.909 176.870 0.026 0.000 1.073 95 L CA 1.835 56.690 54.840 0.025 0.000 0.745 95 L CB -1.012 41.065 42.059 0.030 0.000 0.894 95 L HN 0.461 nan 8.230 nan 0.000 0.432 96 A N -0.392 122.446 122.820 0.031 0.000 1.883 96 A HA -0.306 4.014 4.320 -0.001 0.000 0.217 96 A C 2.285 179.883 177.584 0.023 0.000 1.186 96 A CA 2.011 54.066 52.037 0.030 0.000 0.624 96 A CB -0.699 18.323 19.000 0.036 0.000 0.822 96 A HN 0.525 nan 8.150 nan 0.000 0.444 97 Q N -0.475 119.336 119.800 0.019 0.000 2.096 97 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 97 Q C 2.130 178.138 176.000 0.014 0.000 0.982 97 Q CA 1.836 57.648 55.803 0.015 0.000 0.850 97 Q CB -0.370 28.375 28.738 0.013 0.000 0.901 97 Q HN 0.585 nan 8.270 nan 0.000 0.422 98 A N 0.663 123.491 122.820 0.014 0.000 1.898 98 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 98 A C 1.984 179.576 177.584 0.012 0.000 1.181 98 A CA 1.319 53.363 52.037 0.012 0.000 0.620 98 A CB -0.559 18.448 19.000 0.012 0.000 0.819 98 A HN 0.485 nan 8.150 nan 0.000 0.442 99 I N -0.457 120.122 120.570 0.014 0.000 2.202 99 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 99 I C 2.272 178.397 176.117 0.014 0.000 1.091 99 I CA 1.203 62.511 61.300 0.014 0.000 1.368 99 I CB -0.333 37.677 38.000 0.016 0.000 1.058 99 I HN 0.272 nan 8.210 nan 0.000 0.410 100 I N 0.282 120.862 120.570 0.016 0.000 2.163 100 I HA -0.295 3.875 4.170 -0.001 0.000 0.243 100 I C 2.583 178.708 176.117 0.013 0.000 1.085 100 I CA 1.584 62.893 61.300 0.016 0.000 1.347 100 I CB -0.589 37.422 38.000 0.017 0.000 1.044 100 I HN 0.234 nan 8.210 nan 0.000 0.408 101 T N 0.281 114.842 114.554 0.012 0.000 2.643 101 T HA -0.160 4.189 4.350 -0.001 0.000 0.264 101 T C 1.819 176.524 174.700 0.009 0.000 1.045 101 T CA 1.400 63.506 62.100 0.010 0.000 1.155 101 T CB -0.175 68.698 68.868 0.009 0.000 0.863 101 T HN 0.325 nan 8.240 nan 0.000 0.420 102 E N 0.612 120.817 120.200 0.009 0.000 2.107 102 E HA -0.010 4.339 4.350 -0.001 0.000 0.191 102 E C 2.538 179.143 176.600 0.008 0.000 0.982 102 E CA 0.961 57.366 56.400 0.008 0.000 0.809 102 E CB -0.715 28.989 29.700 0.007 0.000 0.756 102 E HN 0.566 nan 8.360 nan 0.000 0.459 103 G N 1.742 110.548 108.800 0.009 0.000 2.421 103 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 103 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 103 G C 1.736 176.642 174.900 0.010 0.000 1.171 103 G CA 0.445 45.551 45.100 0.010 0.000 0.775 103 G HN 0.153 nan 8.290 nan 0.000 0.543 104 L N -0.249 120.980 121.223 0.010 0.000 2.141 104 L HA -0.007 4.332 4.340 -0.001 0.000 0.209 104 L C 2.888 179.763 176.870 0.008 0.000 1.094 104 L CA 0.974 55.820 54.840 0.010 0.000 0.763 104 L CB -0.280 41.785 42.059 0.010 0.000 0.908 104 L HN 0.184 nan 8.230 nan 0.000 0.437 105 K N 0.166 120.571 120.400 0.007 0.000 2.057 105 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 105 K C 2.284 178.887 176.600 0.005 0.000 1.050 105 K CA 1.210 57.501 56.287 0.006 0.000 0.935 105 K CB -0.148 32.355 32.500 0.005 0.000 0.715 105 K HN 0.256 nan 8.250 nan 0.000 0.439 106 A N 0.835 123.658 122.820 0.006 0.000 1.908 106 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 106 A C 2.272 179.860 177.584 0.006 0.000 1.181 106 A CA 1.526 53.566 52.037 0.006 0.000 0.627 106 A CB -0.654 18.350 19.000 0.006 0.000 0.818 106 A HN 0.098 nan 8.150 nan 0.000 0.445 107 V N -0.226 119.693 119.914 0.008 0.000 2.343 107 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 107 V C 3.039 179.138 176.094 0.008 0.000 1.051 107 V CA 1.876 64.182 62.300 0.009 0.000 1.036 107 V CB -1.212 30.618 31.823 0.012 0.000 0.654 107 V HN 0.617 nan 8.190 nan 0.000 0.451 108 A N -0.062 122.762 122.820 0.007 0.000 2.024 108 A HA -0.082 4.238 4.320 -0.001 0.000 0.220 108 A C 2.233 179.820 177.584 0.004 0.000 1.164 108 A CA 1.868 53.908 52.037 0.005 0.000 0.643 108 A CB -0.556 18.447 19.000 0.003 0.000 0.806 108 A HN 0.603 nan 8.150 nan 0.000 0.451 109 A N -2.107 120.715 122.820 0.004 0.000 2.238 109 A HA 0.414 4.733 4.320 -0.001 0.000 0.208 109 A C 1.714 179.299 177.584 0.003 0.000 1.177 109 A CA 1.241 53.279 52.037 0.003 0.000 0.804 109 A CB -0.692 18.310 19.000 0.003 0.000 0.823 109 A HN 1.833 nan 8.150 nan 0.000 0.482 110 G N -1.929 106.873 108.800 0.004 0.000 2.163 110 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.213 110 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.213 110 G C 0.144 175.047 174.900 0.004 0.000 0.991 110 G CA 0.124 45.226 45.100 0.004 0.000 0.653 110 G HN 0.338 nan 8.290 nan 0.000 0.518 111 M N 0.550 120.153 119.600 0.005 0.000 2.291 111 M HA 0.301 4.781 4.480 -0.001 0.000 0.324 111 M C 0.597 176.901 176.300 0.007 0.000 1.148 111 M CA -0.672 54.631 55.300 0.005 0.000 1.104 111 M CB 0.548 33.151 32.600 0.005 0.000 1.483 111 M HN 0.130 nan 8.290 nan 0.000 0.467 112 N N 2.276 120.980 118.700 0.006 0.000 2.405 112 N HA 0.117 4.857 4.740 -0.001 0.000 0.260 112 N C -2.148 173.367 175.510 0.009 0.000 1.152 112 N CA -1.469 51.585 53.050 0.008 0.000 0.948 112 N CB 1.041 39.532 38.487 0.006 0.000 1.111 112 N HN 0.255 nan 8.380 nan 0.000 0.485 113 P HA -0.124 nan 4.420 nan 0.000 0.216 113 P C 1.568 178.875 177.300 0.011 0.000 1.150 113 P CA 1.377 64.484 63.100 0.013 0.000 0.837 113 P CB 0.220 31.929 31.700 0.016 0.000 0.786 114 M N -1.237 118.370 119.600 0.011 0.000 2.254 114 M HA -0.086 4.394 4.480 -0.001 0.000 0.265 114 M C 1.325 177.630 176.300 0.007 0.000 1.066 114 M CA 1.498 56.804 55.300 0.010 0.000 1.123 114 M CB -1.405 31.201 32.600 0.010 0.000 1.388 114 M HN -0.013 nan 8.290 nan 0.000 0.425 115 D N 0.789 121.193 120.400 0.007 0.000 2.149 115 D HA -0.005 4.635 4.640 -0.001 0.000 0.201 115 D C 2.322 178.625 176.300 0.005 0.000 0.972 115 D CA 0.930 54.933 54.000 0.005 0.000 0.835 115 D CB -0.102 40.701 40.800 0.005 0.000 0.966 115 D HN 0.313 nan 8.370 nan 0.000 0.476 116 L N 0.871 122.098 121.223 0.006 0.000 2.046 116 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 116 L C 2.529 179.403 176.870 0.006 0.000 1.077 116 L CA 1.216 56.060 54.840 0.006 0.000 0.747 116 L CB -0.370 41.694 42.059 0.008 0.000 0.896 116 L HN -0.024 nan 8.230 nan 0.000 0.432 117 K N 0.521 120.925 120.400 0.007 0.000 2.057 117 K HA -0.242 4.077 4.320 -0.001 0.000 0.207 117 K C 2.344 178.946 176.600 0.003 0.000 1.049 117 K CA 1.478 57.769 56.287 0.006 0.000 0.931 117 K CB -0.048 32.457 32.500 0.008 0.000 0.714 117 K HN 0.055 nan 8.250 nan 0.000 0.440 118 R N -0.075 120.427 120.500 0.003 0.000 2.096 118 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 118 R C 2.279 178.579 176.300 0.000 0.000 1.127 118 R CA 1.764 57.864 56.100 0.001 0.000 0.968 118 R CB -0.641 29.660 30.300 0.002 0.000 0.861 118 R HN 0.403 nan 8.270 nan 0.000 0.440 119 G N 0.907 109.708 108.800 0.001 0.000 2.446 119 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 119 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 119 G C 1.432 176.332 174.900 0.000 0.000 1.168 119 G CA 1.119 46.220 45.100 0.001 0.000 0.771 119 G HN 0.298 nan 8.290 nan 0.000 0.551 120 I N 1.043 121.614 120.570 0.001 0.000 2.151 120 I HA -0.183 3.986 4.170 -0.001 0.000 0.243 120 I C 2.281 178.396 176.117 -0.003 0.000 1.080 120 I CA 1.458 62.758 61.300 0.001 0.000 1.339 120 I CB -0.177 37.825 38.000 0.003 0.000 1.039 120 I HN 0.047 nan 8.210 nan 0.000 0.409 121 D N 0.436 120.833 120.400 -0.005 0.000 2.178 121 D HA -0.176 4.463 4.640 -0.001 0.000 0.202 121 D C 2.081 178.375 176.300 -0.010 0.000 0.974 121 D CA 1.007 55.001 54.000 -0.010 0.000 0.841 121 D CB -0.143 40.652 40.800 -0.009 0.000 0.953 121 D HN 0.308 nan 8.370 nan 0.000 0.478 122 K N 0.707 121.103 120.400 -0.006 0.000 2.031 122 K HA -0.046 4.273 4.320 -0.001 0.000 0.205 122 K C 2.033 178.629 176.600 -0.006 0.000 1.049 122 K CA 1.083 57.367 56.287 -0.006 0.000 0.939 122 K CB -0.010 32.488 32.500 -0.004 0.000 0.717 122 K HN -0.017 nan 8.250 nan 0.000 0.438 123 A N 0.823 123.640 122.820 -0.004 0.000 1.917 123 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 123 A C 2.237 179.817 177.584 -0.006 0.000 1.182 123 A CA 1.928 53.963 52.037 -0.003 0.000 0.633 123 A CB -0.744 18.255 19.000 -0.001 0.000 0.819 123 A HN 0.202 nan 8.150 nan 0.000 0.448 124 V N -0.745 119.163 119.914 -0.010 0.000 2.379 124 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 124 V C 2.724 178.806 176.094 -0.020 0.000 1.044 124 V CA 2.334 64.624 62.300 -0.016 0.000 1.036 124 V CB -1.119 30.690 31.823 -0.023 0.000 0.664 124 V HN 0.608 nan 8.190 nan 0.000 0.453 125 T N 0.254 114.796 114.554 -0.020 0.000 2.684 125 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 125 T C 1.904 176.596 174.700 -0.013 0.000 1.036 125 T CA 1.857 63.946 62.100 -0.019 0.000 1.148 125 T CB -0.238 68.620 68.868 -0.017 0.000 0.863 125 T HN 0.298 nan 8.240 nan 0.000 0.436 126 V N 1.427 121.336 119.914 -0.009 0.000 2.548 126 V HA -0.076 4.044 4.120 -0.001 0.000 0.249 126 V C 2.811 178.902 176.094 -0.004 0.000 1.055 126 V CA 1.418 63.715 62.300 -0.006 0.000 1.065 126 V CB -1.117 30.704 31.823 -0.003 0.000 0.681 126 V HN 0.512 nan 8.190 nan 0.000 0.462 127 A N -0.170 122.647 122.820 -0.005 0.000 1.930 127 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 127 A C 2.363 179.945 177.584 -0.004 0.000 1.175 127 A CA 1.846 53.882 52.037 -0.002 0.000 0.627 127 A CB -0.523 18.475 19.000 -0.002 0.000 0.815 127 A HN 0.339 nan 8.150 nan 0.000 0.443 128 V N -0.024 119.884 119.914 -0.010 0.000 2.453 128 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 128 V C 2.343 178.432 176.094 -0.008 0.000 1.048 128 V CA 2.136 64.428 62.300 -0.013 0.000 1.049 128 V CB -0.734 31.074 31.823 -0.024 0.000 0.672 128 V HN 0.638 nan 8.190 nan 0.000 0.457 129 E N -0.010 120.186 120.200 -0.007 0.000 2.077 129 E HA -0.271 4.079 4.350 -0.001 0.000 0.193 129 E C 2.220 178.819 176.600 -0.001 0.000 0.989 129 E CA 1.417 57.814 56.400 -0.004 0.000 0.800 129 E CB -0.113 29.585 29.700 -0.004 0.000 0.746 129 E HN 0.535 nan 8.360 nan 0.000 0.452 130 E N 0.732 120.933 120.200 0.001 0.000 2.153 130 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 130 E C 1.795 178.399 176.600 0.006 0.000 0.988 130 E CA 0.517 56.919 56.400 0.004 0.000 0.811 130 E CB -0.107 29.596 29.700 0.005 0.000 0.746 130 E HN 0.085 nan 8.360 nan 0.000 0.466 131 L N 0.982 122.208 121.223 0.005 0.000 2.046 131 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 131 L C 1.883 178.756 176.870 0.006 0.000 1.077 131 L CA 1.842 56.686 54.840 0.007 0.000 0.747 131 L CB -0.410 41.652 42.059 0.005 0.000 0.896 131 L HN 0.054 nan 8.230 nan 0.000 0.432 132 K N -1.136 119.266 120.400 0.003 0.000 2.209 132 K HA -0.107 4.213 4.320 -0.001 0.000 0.204 132 K C 1.922 178.525 176.600 0.005 0.000 1.048 132 K CA 1.139 57.428 56.287 0.003 0.000 0.940 132 K CB -0.205 32.295 32.500 0.001 0.000 0.729 132 K HN 0.415 nan 8.250 nan 0.000 0.451 133 A N 0.796 123.620 122.820 0.006 0.000 2.021 133 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 133 A C 1.911 179.501 177.584 0.009 0.000 1.163 133 A CA 0.639 52.680 52.037 0.007 0.000 0.676 133 A CB -0.190 18.814 19.000 0.007 0.000 0.818 133 A HN 0.128 nan 8.150 nan 0.000 0.453 134 L N -0.286 120.943 121.223 0.011 0.000 2.395 134 L HA 0.026 4.365 4.340 -0.001 0.000 0.218 134 L C 1.310 178.188 176.870 0.014 0.000 1.130 134 L CA 0.094 54.943 54.840 0.015 0.000 0.826 134 L CB -0.197 41.873 42.059 0.018 0.000 0.941 134 L HN 0.320 nan 8.230 nan 0.000 0.451 135 S N 0.056 115.763 115.700 0.012 0.000 2.549 135 S HA 0.158 4.627 4.470 -0.001 0.000 0.286 135 S C -0.152 174.454 174.600 0.010 0.000 1.314 135 S CA -0.425 57.782 58.200 0.011 0.000 1.062 135 S CB 0.719 63.924 63.200 0.008 0.000 0.865 135 S HN -0.050 nan 8.310 nan 0.000 0.498 136 V N 8.527 128.447 119.914 0.011 0.000 2.394 136 V HA 0.372 4.491 4.120 -0.001 0.000 0.282 136 V C -2.018 174.081 176.094 0.008 0.000 1.031 136 V CA -1.873 60.433 62.300 0.010 0.000 0.881 136 V CB 1.307 33.137 31.823 0.012 0.000 0.982 136 V HN 0.764 nan 8.190 nan 0.000 0.451 137 P HA 0.109 nan 4.420 nan 0.000 0.269 137 P C -0.597 176.705 177.300 0.004 0.000 1.215 137 P CA -0.221 62.881 63.100 0.004 0.000 0.780 137 P CB 0.443 32.145 31.700 0.004 0.000 0.898 138 C N 2.422 121.723 119.300 0.002 0.000 2.816 138 C HA 0.450 4.909 4.460 -0.001 0.000 0.255 138 C C 1.091 176.081 174.990 -0.000 0.000 1.141 138 C CA 0.121 59.140 59.018 0.001 0.000 1.554 138 C CB -1.465 26.275 27.740 0.000 0.000 1.778 138 C HN 0.544 nan 8.230 nan 0.000 0.429 139 S N 1.689 117.389 115.700 0.001 0.000 2.613 139 S HA 0.134 4.604 4.470 -0.001 0.000 0.235 139 S C 0.228 174.828 174.600 0.000 0.000 1.073 139 S CA 0.078 58.278 58.200 -0.000 0.000 0.899 139 S CB 0.159 63.360 63.200 0.001 0.000 0.818 139 S HN 0.945 nan 8.310 nan 0.000 0.484 140 D N 0.855 121.256 120.400 0.001 0.000 2.387 140 D HA 0.386 5.025 4.640 -0.001 0.000 0.255 140 D C 1.045 177.345 176.300 0.001 0.000 1.081 140 D CA -0.222 53.778 54.000 0.001 0.000 0.994 140 D CB 0.555 41.356 40.800 0.002 0.000 1.127 140 D HN 0.044 nan 8.370 nan 0.000 0.513 141 S N -0.699 115.002 115.700 0.001 0.000 2.428 141 S HA -0.193 4.276 4.470 -0.001 0.000 0.230 141 S C 1.624 176.225 174.600 0.001 0.000 1.014 141 S CA 0.631 58.831 58.200 0.001 0.000 0.957 141 S CB -0.434 62.766 63.200 0.001 0.000 0.784 141 S HN 0.532 nan 8.310 nan 0.000 0.499 142 K N 1.771 122.172 120.400 0.002 0.000 2.009 142 K HA -0.079 4.240 4.320 -0.001 0.000 0.210 142 K C 2.369 178.970 176.600 0.003 0.000 1.049 142 K CA 1.379 57.667 56.287 0.002 0.000 0.929 142 K CB -0.711 31.790 32.500 0.003 0.000 0.714 142 K HN 0.442 nan 8.250 nan 0.000 0.440 143 A N 1.326 124.147 122.820 0.003 0.000 1.908 143 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 143 A C 2.112 179.698 177.584 0.002 0.000 1.181 143 A CA 1.584 53.623 52.037 0.003 0.000 0.627 143 A CB -0.586 18.416 19.000 0.003 0.000 0.818 143 A HN 0.373 nan 8.150 nan 0.000 0.445 144 I N -0.324 120.247 120.570 0.001 0.000 2.286 144 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 144 I C 2.893 179.011 176.117 0.002 0.000 1.115 144 I CA 1.026 62.327 61.300 0.001 0.000 1.392 144 I CB -0.231 37.768 38.000 -0.001 0.000 1.065 144 I HN 0.363 nan 8.210 nan 0.000 0.418 145 A N -0.118 122.703 122.820 0.002 0.000 1.929 145 A HA -0.214 4.105 4.320 -0.001 0.000 0.216 145 A C 2.264 179.850 177.584 0.003 0.000 1.176 145 A CA 1.251 53.290 52.037 0.003 0.000 0.628 145 A CB -0.502 18.500 19.000 0.002 0.000 0.816 145 A HN 0.409 nan 8.150 nan 0.000 0.444 146 Q N -0.530 119.272 119.800 0.003 0.000 2.061 146 Q HA -0.142 4.197 4.340 -0.001 0.000 0.204 146 Q C 2.133 178.135 176.000 0.004 0.000 0.984 146 Q CA 1.906 57.711 55.803 0.003 0.000 0.846 146 Q CB -0.286 28.454 28.738 0.004 0.000 0.902 146 Q HN 0.483 nan 8.270 nan 0.000 0.421 147 V N -0.158 119.759 119.914 0.005 0.000 2.453 147 V HA -0.157 3.962 4.120 -0.001 0.000 0.247 147 V C 2.128 178.227 176.094 0.008 0.000 1.048 147 V CA 1.833 64.137 62.300 0.006 0.000 1.049 147 V CB -0.895 30.932 31.823 0.006 0.000 0.672 147 V HN 0.535 nan 8.190 nan 0.000 0.457 148 G N -0.576 108.228 108.800 0.007 0.000 2.408 148 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 148 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 148 G C 1.695 176.600 174.900 0.008 0.000 1.150 148 G CA 1.458 46.563 45.100 0.009 0.000 0.776 148 G HN 0.453 nan 8.290 nan 0.000 0.542 149 T N 1.395 115.952 114.554 0.005 0.000 2.674 149 T HA -0.069 4.280 4.350 -0.001 0.000 0.265 149 T C 2.398 177.099 174.700 0.003 0.000 1.039 149 T CA 1.071 63.173 62.100 0.003 0.000 1.150 149 T CB -0.204 68.665 68.868 0.002 0.000 0.864 149 T HN 0.227 nan 8.240 nan 0.000 0.427 150 I N 1.525 122.096 120.570 0.003 0.000 2.208 150 I HA -0.193 3.976 4.170 -0.001 0.000 0.245 150 I C 2.443 178.562 176.117 0.003 0.000 1.097 150 I CA 1.207 62.507 61.300 0.001 0.000 1.363 150 I CB -0.327 37.674 38.000 0.001 0.000 1.051 150 I HN 0.209 nan 8.210 nan 0.000 0.413 151 S N 0.568 116.273 115.700 0.008 0.000 2.515 151 S HA 0.099 4.568 4.470 -0.001 0.000 0.231 151 S C 1.523 176.129 174.600 0.010 0.000 0.987 151 S CA 0.707 58.914 58.200 0.013 0.000 0.936 151 S CB -0.083 63.131 63.200 0.023 0.000 0.766 151 S HN 0.475 nan 8.310 nan 0.000 0.528 152 A N 1.621 124.445 122.820 0.007 0.000 2.684 152 A HA 0.480 4.800 4.320 -0.001 0.000 0.288 152 A C 0.683 178.267 177.584 0.000 0.000 1.337 152 A CA -0.443 51.597 52.037 0.005 0.000 0.946 152 A CB -0.728 18.276 19.000 0.005 0.000 1.093 152 A HN 0.334 nan 8.150 nan 0.000 0.543 153 N N -0.329 118.370 118.700 -0.002 0.000 2.747 153 N HA -0.230 4.510 4.740 -0.001 0.000 0.249 153 N C 0.203 175.709 175.510 -0.006 0.000 1.107 153 N CA 1.203 54.250 53.050 -0.005 0.000 0.707 153 N CB -1.785 36.699 38.487 -0.006 0.000 1.054 153 N HN 0.582 nan 8.380 nan 0.000 0.555 154 S N -1.875 113.822 115.700 -0.004 0.000 3.576 154 S HA -0.212 4.257 4.470 -0.001 0.000 0.294 154 S C -0.443 174.155 174.600 -0.003 0.000 1.224 154 S CA 0.657 58.855 58.200 -0.004 0.000 0.866 154 S CB -1.180 62.016 63.200 -0.007 0.000 1.017 154 S HN 0.706 nan 8.310 nan 0.000 0.597 155 D N 1.549 121.948 120.400 -0.002 0.000 2.422 155 D HA 0.282 4.922 4.640 -0.001 0.000 0.227 155 D C 1.136 177.436 176.300 0.000 0.000 1.190 155 D CA -0.219 53.781 54.000 -0.001 0.000 0.905 155 D CB 0.425 41.225 40.800 -0.000 0.000 1.034 155 D HN 0.462 nan 8.370 nan 0.000 0.507 156 E N 1.135 121.334 120.200 -0.000 0.000 2.160 156 E HA -0.169 4.180 4.350 -0.001 0.000 0.195 156 E C 1.428 178.029 176.600 0.001 0.000 0.991 156 E CA 1.141 57.541 56.400 0.001 0.000 0.810 156 E CB 0.234 29.934 29.700 0.000 0.000 0.742 156 E HN 0.478 nan 8.360 nan 0.000 0.466 157 T N 0.755 115.309 114.554 0.001 0.000 2.665 157 T HA -0.162 4.187 4.350 -0.001 0.000 0.268 157 T C 2.062 176.764 174.700 0.002 0.000 1.035 157 T CA 1.364 63.464 62.100 0.001 0.000 1.151 157 T CB -0.211 68.657 68.868 0.000 0.000 0.862 157 T HN 0.014 nan 8.240 nan 0.000 0.438 158 V N 1.121 121.037 119.914 0.002 0.000 2.427 158 V HA -0.042 4.077 4.120 -0.001 0.000 0.248 158 V C 2.823 178.920 176.094 0.005 0.000 1.051 158 V CA 1.786 64.088 62.300 0.004 0.000 1.048 158 V CB -1.318 30.508 31.823 0.005 0.000 0.666 158 V HN 0.592 nan 8.190 nan 0.000 0.456 159 G N -0.356 108.447 108.800 0.004 0.000 2.421 159 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.216 159 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.216 159 G C 1.635 176.537 174.900 0.003 0.000 1.171 159 G CA 1.036 46.138 45.100 0.004 0.000 0.775 159 G HN 0.449 nan 8.290 nan 0.000 0.543 160 K N -0.009 120.393 120.400 0.002 0.000 2.044 160 K HA -0.052 4.267 4.320 -0.001 0.000 0.210 160 K C 2.568 179.169 176.600 0.002 0.000 1.049 160 K CA 1.167 57.455 56.287 0.002 0.000 0.927 160 K CB -0.346 32.155 32.500 0.001 0.000 0.713 160 K HN 0.332 nan 8.250 nan 0.000 0.443 161 L N 0.719 121.944 121.223 0.002 0.000 1.990 161 L HA -0.251 4.089 4.340 -0.001 0.000 0.213 161 L C 2.487 179.359 176.870 0.003 0.000 1.072 161 L CA 1.469 56.310 54.840 0.003 0.000 0.755 161 L CB -0.357 41.704 42.059 0.003 0.000 0.889 161 L HN 0.270 nan 8.230 nan 0.000 0.432 162 I N -0.579 119.994 120.570 0.004 0.000 2.226 162 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 162 I C 2.734 178.852 176.117 0.002 0.000 1.100 162 I CA 1.131 62.434 61.300 0.004 0.000 1.374 162 I CB -0.438 37.566 38.000 0.006 0.000 1.057 162 I HN 0.207 nan 8.210 nan 0.000 0.413 163 A N 0.407 123.228 122.820 0.002 0.000 1.902 163 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 163 A C 2.223 179.808 177.584 0.001 0.000 1.181 163 A CA 1.793 53.831 52.037 0.001 0.000 0.623 163 A CB -0.556 18.445 19.000 0.001 0.000 0.818 163 A HN 0.463 nan 8.150 nan 0.000 0.443 164 E N -0.318 119.883 120.200 0.001 0.000 2.072 164 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 164 E C 2.368 178.968 176.600 0.001 0.000 0.985 164 E CA 0.821 57.221 56.400 0.001 0.000 0.801 164 E CB -0.304 29.397 29.700 0.001 0.000 0.750 164 E HN 0.607 nan 8.360 nan 0.000 0.452 165 A N 1.343 124.164 122.820 0.001 0.000 1.883 165 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 165 A C 2.174 179.757 177.584 -0.000 0.000 1.186 165 A CA 1.554 53.591 52.037 0.001 0.000 0.624 165 A CB -0.498 18.503 19.000 0.001 0.000 0.822 165 A HN 0.154 nan 8.150 nan 0.000 0.444 166 M N -1.254 118.346 119.600 -0.001 0.000 2.296 166 M HA -0.121 4.358 4.480 -0.001 0.000 0.265 166 M C 1.691 177.990 176.300 -0.001 0.000 1.064 166 M CA 1.708 57.007 55.300 -0.002 0.000 1.109 166 M CB -0.398 32.200 32.600 -0.003 0.000 1.396 166 M HN 0.497 nan 8.290 nan 0.000 0.430 167 D N 0.388 120.787 120.400 -0.001 0.000 2.234 167 D HA -0.097 4.542 4.640 -0.001 0.000 0.205 167 D C 2.018 178.318 176.300 -0.000 0.000 0.962 167 D CA 0.964 54.964 54.000 -0.000 0.000 0.855 167 D CB 0.355 41.155 40.800 0.000 0.000 0.951 167 D HN 0.024 nan 8.370 nan 0.000 0.500 168 K N -0.099 120.301 120.400 0.000 0.000 2.021 168 K HA -0.013 4.306 4.320 -0.001 0.000 0.205 168 K C 1.930 178.530 176.600 0.000 0.000 1.047 168 K CA 1.218 57.505 56.287 0.000 0.000 0.943 168 K CB -0.318 32.183 32.500 0.001 0.000 0.725 168 K HN 0.261 nan 8.250 nan 0.000 0.439 169 V N -2.390 117.524 119.914 0.000 0.000 3.542 169 V HA 0.379 4.498 4.120 -0.001 0.000 0.296 169 V C 0.511 176.605 176.094 -0.000 0.000 1.364 169 V CA 0.150 62.450 62.300 0.001 0.000 1.118 169 V CB -0.497 31.327 31.823 0.001 0.000 0.972 169 V HN 0.377 nan 8.190 nan 0.000 0.430 170 G N 2.112 110.912 108.800 -0.001 0.000 2.705 170 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.686 170 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.686 170 G C 0.208 175.106 174.900 -0.003 0.000 1.285 170 G CA -0.058 45.041 45.100 -0.002 0.000 0.800 170 G HN 0.695 nan 8.290 nan 0.000 0.611 171 K N -0.037 120.361 120.400 -0.004 0.000 2.362 171 K HA 0.006 4.325 4.320 -0.001 0.000 0.200 171 K C 1.051 177.645 176.600 -0.010 0.000 1.046 171 K CA 1.600 57.883 56.287 -0.007 0.000 0.952 171 K CB 0.270 32.766 32.500 -0.007 0.000 0.753 171 K HN 0.501 nan 8.250 nan 0.000 0.466 172 E N 1.483 121.679 120.200 -0.007 0.000 2.463 172 E HA 0.081 4.431 4.350 -0.001 0.000 0.193 172 E C 0.743 177.340 176.600 -0.004 0.000 1.041 172 E CA 0.042 56.438 56.400 -0.007 0.000 0.879 172 E CB 0.691 30.389 29.700 -0.003 0.000 0.997 172 E HN 0.405 nan 8.360 nan 0.000 0.478 173 G N 0.794 109.592 108.800 -0.003 0.000 2.580 173 G HA2 0.320 4.279 3.960 -0.001 0.000 0.278 173 G HA3 0.320 4.279 3.960 -0.001 0.000 0.278 173 G C 0.061 174.960 174.900 -0.002 0.000 1.212 173 G CA -0.517 44.583 45.100 -0.000 0.000 0.939 173 G HN -0.046 nan 8.290 nan 0.000 0.513 174 V N 0.633 120.547 119.914 0.001 0.000 2.530 174 V HA 0.354 4.473 4.120 -0.001 0.000 0.282 174 V C 0.184 176.278 176.094 -0.001 0.000 1.048 174 V CA 0.075 62.374 62.300 -0.001 0.000 0.997 174 V CB 0.644 32.468 31.823 0.002 0.000 0.987 174 V HN 0.434 nan 8.190 nan 0.000 0.477 175 I N 4.049 124.617 120.570 -0.002 0.000 2.499 175 I HA 0.467 4.636 4.170 -0.001 0.000 0.288 175 I C -0.035 176.084 176.117 0.003 0.000 1.048 175 I CA -0.181 61.120 61.300 0.000 0.000 1.062 175 I CB 2.326 40.327 38.000 0.001 0.000 1.238 175 I HN 0.579 nan 8.210 nan 0.000 0.426 176 T N 4.701 119.256 114.554 0.003 0.000 2.950 176 T HA 0.668 5.018 4.350 -0.001 0.000 0.288 176 T C -0.396 174.307 174.700 0.005 0.000 1.035 176 T CA -0.729 61.373 62.100 0.004 0.000 1.028 176 T CB 2.460 71.328 68.868 0.000 0.000 1.109 176 T HN 0.437 nan 8.240 nan 0.000 0.514 177 V N -0.941 118.977 119.914 0.006 0.000 2.656 177 V HA 0.810 4.930 4.120 -0.001 0.000 0.307 177 V C -0.960 175.135 176.094 0.002 0.000 1.051 177 V CA -0.801 61.502 62.300 0.005 0.000 0.893 177 V CB 1.694 33.522 31.823 0.008 0.000 0.999 177 V HN 0.936 nan 8.190 nan 0.000 0.426 178 E N 1.776 121.977 120.200 0.000 0.000 2.410 178 E HA 0.427 4.776 4.350 -0.001 0.000 0.269 178 E C -1.499 175.100 176.600 -0.002 0.000 0.937 178 E CA -1.088 55.311 56.400 -0.002 0.000 0.793 178 E CB 1.677 31.375 29.700 -0.004 0.000 1.314 178 E HN 0.791 nan 8.360 nan 0.000 0.447 179 D N 1.043 121.441 120.400 -0.003 0.000 2.472 179 D HA 0.124 4.763 4.640 -0.001 0.000 0.237 179 D C 0.212 176.510 176.300 -0.004 0.000 1.141 179 D CA 0.456 54.454 54.000 -0.003 0.000 0.875 179 D CB 0.731 41.528 40.800 -0.004 0.000 1.192 179 D HN 0.494 nan 8.370 nan 0.000 0.450 180 G N -0.110 108.688 108.800 -0.003 0.000 2.599 180 G HA2 0.297 4.256 3.960 -0.001 0.000 0.264 180 G HA3 0.297 4.256 3.960 -0.001 0.000 0.264 180 G C 1.006 175.904 174.900 -0.004 0.000 1.200 180 G CA -0.126 44.972 45.100 -0.003 0.000 0.896 180 G HN 0.468 nan 8.290 nan 0.000 0.536 181 T N -2.957 111.595 114.554 -0.004 0.000 3.044 181 T HA 0.476 4.825 4.350 -0.001 0.000 0.250 181 T C 1.089 175.787 174.700 -0.004 0.000 1.081 181 T CA 0.898 62.996 62.100 -0.004 0.000 1.040 181 T CB 0.319 69.184 68.868 -0.004 0.000 0.962 181 T HN 1.123 nan 8.240 nan 0.000 0.506 182 G N 0.357 109.155 108.800 -0.003 0.000 2.726 182 G HA2 0.438 4.398 3.960 -0.001 0.000 0.198 182 G HA3 0.438 4.398 3.960 -0.001 0.000 0.198 182 G C -0.125 174.774 174.900 -0.002 0.000 1.195 182 G CA -0.012 45.086 45.100 -0.003 0.000 0.951 182 G HN 0.082 nan 8.290 nan 0.000 0.532 183 L N 0.133 121.355 121.223 -0.002 0.000 2.162 183 L HA 0.330 4.669 4.340 -0.001 0.000 0.205 183 L C 0.880 177.749 176.870 -0.002 0.000 1.086 183 L CA 1.321 56.160 54.840 -0.002 0.000 0.778 183 L CB -0.434 41.624 42.059 -0.002 0.000 0.928 183 L HN 0.514 nan 8.230 nan 0.000 0.446 184 Q N 0.441 120.240 119.800 -0.002 0.000 2.214 184 Q HA 0.169 4.509 4.340 -0.001 0.000 0.251 184 Q C -0.811 175.188 176.000 -0.001 0.000 0.936 184 Q CA -0.878 54.925 55.803 -0.001 0.000 0.894 184 Q CB 1.347 30.085 28.738 -0.001 0.000 1.252 184 Q HN 0.153 nan 8.270 nan 0.000 0.448 185 D N 1.901 122.301 120.400 -0.001 0.000 2.399 185 D HA 0.082 4.721 4.640 -0.001 0.000 0.241 185 D C -0.543 175.756 176.300 -0.001 0.000 1.133 185 D CA 0.474 54.474 54.000 -0.000 0.000 0.890 185 D CB 0.766 41.566 40.800 0.000 0.000 1.201 185 D HN 0.357 nan 8.370 nan 0.000 0.432 186 E N 0.159 120.359 120.200 -0.001 0.000 2.266 186 E HA 0.517 4.867 4.350 -0.001 0.000 0.268 186 E C -1.035 175.564 176.600 -0.000 0.000 0.879 186 E CA -0.937 55.462 56.400 -0.001 0.000 0.762 186 E CB 2.473 32.172 29.700 -0.001 0.000 1.199 186 E HN 0.084 nan 8.360 nan 0.000 0.422 187 L N 3.682 124.905 121.223 -0.000 0.000 2.406 187 L HA 0.426 4.765 4.340 -0.001 0.000 0.270 187 L C -1.785 175.085 176.870 -0.000 0.000 0.982 187 L CA -0.296 54.544 54.840 0.000 0.000 0.843 187 L CB 1.024 43.083 42.059 0.000 0.000 1.225 187 L HN 0.510 nan 8.230 nan 0.000 0.412 188 D N 3.797 124.197 120.400 -0.000 0.000 2.523 188 D HA 0.488 5.128 4.640 -0.001 0.000 0.236 188 D C -1.081 175.219 176.300 0.000 0.000 1.094 188 D CA -0.562 53.438 54.000 -0.000 0.000 0.942 188 D CB 2.251 43.050 40.800 -0.001 0.000 1.447 188 D HN 0.210 nan 8.370 nan 0.000 0.479 189 V N 0.682 120.596 119.914 0.001 0.000 2.384 189 V HA 0.444 4.563 4.120 -0.001 0.000 0.287 189 V C 0.479 176.574 176.094 0.002 0.000 1.020 189 V CA -0.730 61.571 62.300 0.001 0.000 0.850 189 V CB 1.096 32.920 31.823 0.002 0.000 0.987 189 V HN 0.605 nan 8.190 nan 0.000 0.436 190 V N 1.750 121.665 119.914 0.002 0.000 3.096 190 V HA 0.707 4.827 4.120 -0.001 0.000 0.319 190 V C -0.071 176.027 176.094 0.005 0.000 1.103 190 V CA -0.953 61.349 62.300 0.003 0.000 1.016 190 V CB 1.981 33.804 31.823 0.001 0.000 1.090 190 V HN 0.661 nan 8.190 nan 0.000 0.449 191 E N 1.331 121.535 120.200 0.006 0.000 2.344 191 E HA 0.620 4.969 4.350 -0.001 0.000 0.270 191 E C 0.290 176.899 176.600 0.015 0.000 1.021 191 E CA 1.043 57.449 56.400 0.010 0.000 0.887 191 E CB 0.887 30.593 29.700 0.010 0.000 0.997 191 E HN 1.266 nan 8.360 nan 0.000 0.429 192 G N 1.157 109.969 108.800 0.021 0.000 2.320 192 G HA2 0.479 4.438 3.960 -0.001 0.000 0.296 192 G HA3 0.479 4.438 3.960 -0.001 0.000 0.296 192 G C -1.324 173.601 174.900 0.041 0.000 1.306 192 G CA -0.716 44.402 45.100 0.030 0.000 0.836 192 G HN 0.398 nan 8.290 nan 0.000 0.517 193 M N -0.122 119.512 119.600 0.057 0.000 2.562 193 M HA 0.524 5.004 4.480 -0.001 0.000 0.281 193 M C -2.057 174.297 176.300 0.091 0.000 1.195 193 M CA -0.624 54.727 55.300 0.085 0.000 0.888 193 M CB 2.550 35.224 32.600 0.123 0.000 1.731 193 M HN 0.746 nan 8.290 nan 0.000 0.493 194 Q N 3.310 123.165 119.800 0.090 0.000 2.323 194 Q HA 0.705 5.044 4.340 -0.001 0.000 0.271 194 Q C -2.124 173.942 176.000 0.109 0.000 1.048 194 Q CA -0.628 55.186 55.803 0.019 0.000 0.792 194 Q CB 1.974 30.698 28.738 -0.022 0.000 1.280 194 Q HN 0.567 nan 8.270 nan 0.000 0.441 195 F N -0.033 119.921 119.950 0.006 0.000 2.603 195 F HA 0.512 5.038 4.527 -0.001 0.000 0.317 195 F C -0.423 175.381 175.800 0.007 0.000 1.066 195 F CA -1.157 56.847 58.000 0.007 0.000 0.941 195 F CB 1.195 40.200 39.000 0.010 0.000 1.291 195 F HN 0.333 nan 8.300 nan 0.000 0.472 196 D N 2.823 123.359 120.400 0.227 0.000 2.885 196 D HA 0.121 4.761 4.640 -0.001 0.000 0.234 196 D C -0.265 176.111 176.300 0.127 0.000 1.129 196 D CA 0.333 54.397 54.000 0.107 0.000 0.991 196 D CB -0.101 40.757 40.800 0.096 0.000 1.137 196 D HN 0.272 nan 8.370 nan 0.000 0.459 197 R N 0.013 120.564 120.500 0.086 0.000 2.628 197 R HA 0.566 4.905 4.340 -0.001 0.000 0.288 197 R C 0.316 176.574 176.300 -0.070 0.000 0.980 197 R CA -0.719 55.431 56.100 0.083 0.000 0.891 197 R CB 2.218 32.702 30.300 0.306 0.000 1.188 197 R HN 0.124 nan 8.270 nan 0.000 0.450 198 G N 0.894 109.635 108.800 -0.098 0.000 2.705 198 G HA2 0.463 4.422 3.960 -0.001 0.000 0.299 198 G HA3 0.463 4.422 3.960 -0.001 0.000 0.299 198 G C -0.679 174.148 174.900 -0.122 0.000 1.315 198 G CA -0.608 44.358 45.100 -0.223 0.000 1.045 198 G HN 0.447 nan 8.290 nan 0.000 0.517 199 Y N -1.321 119.027 120.300 0.081 0.000 2.511 199 Y HA 0.334 4.883 4.550 -0.001 0.000 0.347 199 Y C 1.196 177.206 175.900 0.183 0.000 1.257 199 Y CA -0.776 57.430 58.100 0.176 0.000 1.469 199 Y CB 0.417 39.022 38.460 0.243 0.000 1.353 199 Y HN 0.172 nan 8.280 nan 0.000 0.617 200 L N 1.374 122.902 121.223 0.508 0.000 2.529 200 L HA 0.135 4.475 4.340 -0.001 0.000 0.223 200 L C 0.458 177.484 176.870 0.259 0.000 1.113 200 L CA 0.654 55.698 54.840 0.340 0.000 0.861 200 L CB -0.129 42.123 42.059 0.322 0.000 1.012 200 L HN 0.832 nan 8.230 nan 0.000 0.461 201 S N -2.754 113.073 115.700 0.213 0.000 2.541 201 S HA 0.429 4.898 4.470 -0.001 0.000 0.271 201 S C -2.441 172.018 174.600 -0.234 0.000 1.133 201 S CA -1.160 56.998 58.200 -0.071 0.000 0.876 201 S CB 1.895 64.918 63.200 -0.294 0.000 1.105 201 S HN -0.274 nan 8.310 nan 0.000 0.470 202 P HA -0.028 nan 4.420 nan 0.000 0.222 202 P C 0.563 177.497 177.300 -0.610 0.000 1.147 202 P CA 0.970 63.691 63.100 -0.631 0.000 0.790 202 P CB -0.226 31.187 31.700 -0.479 0.000 0.780 203 Y N -2.157 117.903 120.300 -0.399 0.000 2.403 203 Y HA -0.106 4.444 4.550 -0.001 0.000 0.291 203 Y C 1.880 177.629 175.900 -0.251 0.000 1.143 203 Y CA 0.759 58.664 58.100 -0.326 0.000 1.257 203 Y CB -1.359 36.902 38.460 -0.332 0.000 0.984 203 Y HN -0.070 nan 8.280 nan 0.000 0.550 204 F N -0.155 119.766 119.950 -0.049 0.000 2.451 204 F HA -0.052 4.475 4.527 -0.001 0.000 0.299 204 F C 1.049 176.781 175.800 -0.112 0.000 1.101 204 F CA -0.353 57.613 58.000 -0.057 0.000 1.436 204 F CB -1.116 37.864 39.000 -0.033 0.000 1.074 204 F HN -0.141 nan 8.300 nan 0.000 0.553 205 I N 2.595 123.118 120.570 -0.079 0.000 2.752 205 I HA -0.186 3.984 4.170 -0.001 0.000 0.286 205 I C 1.019 177.126 176.117 -0.017 0.000 1.180 205 I CA 0.287 61.523 61.300 -0.107 0.000 1.404 205 I CB 0.116 37.982 38.000 -0.224 0.000 1.389 205 I HN 0.170 nan 8.210 nan 0.000 0.549 206 N N 5.542 124.247 118.700 0.009 0.000 2.250 206 N HA 0.005 4.745 4.740 -0.001 0.000 0.190 206 N C 0.082 175.595 175.510 0.005 0.000 1.116 206 N CA 0.146 53.206 53.050 0.017 0.000 0.881 206 N CB 0.348 38.851 38.487 0.027 0.000 1.006 206 N HN 0.415 nan 8.380 nan 0.000 0.491 207 K N 1.334 121.733 120.400 -0.001 0.000 2.602 207 K HA 0.274 4.593 4.320 -0.001 0.000 0.201 207 K C -2.009 174.586 176.600 -0.009 0.000 1.070 207 K CA -1.763 54.523 56.287 -0.002 0.000 1.026 207 K CB 1.734 34.236 32.500 0.003 0.000 1.534 207 K HN 0.029 nan 8.250 nan 0.000 0.560 208 P HA -0.174 nan 4.420 nan 0.000 0.224 208 P C 0.273 177.564 177.300 -0.015 0.000 1.142 208 P CA 1.157 64.244 63.100 -0.021 0.000 0.778 208 P CB 0.433 32.121 31.700 -0.019 0.000 0.764 209 E N -0.505 119.688 120.200 -0.011 0.000 2.106 209 E HA -0.077 4.272 4.350 -0.001 0.000 0.192 209 E C 1.578 178.169 176.600 -0.014 0.000 0.984 209 E CA 1.489 57.882 56.400 -0.012 0.000 0.806 209 E CB -1.020 28.674 29.700 -0.010 0.000 0.750 209 E HN 0.234 nan 8.360 nan 0.000 0.458 210 T N -0.940 113.610 114.554 -0.007 0.000 3.069 210 T HA 0.240 4.589 4.350 -0.001 0.000 0.252 210 T C 1.109 175.817 174.700 0.014 0.000 1.053 210 T CA 0.325 62.423 62.100 -0.002 0.000 0.964 210 T CB 0.497 69.369 68.868 0.006 0.000 1.005 210 T HN 0.349 nan 8.240 nan 0.000 0.532 211 G N 1.842 110.647 108.800 0.010 0.000 2.341 211 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.292 211 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.292 211 G C 0.121 175.065 174.900 0.072 0.000 1.021 211 G CA 0.191 45.305 45.100 0.023 0.000 0.905 211 G HN 0.903 nan 8.290 nan 0.000 0.508 212 A N -1.387 121.463 122.820 0.049 0.000 2.386 212 A HA 0.914 5.233 4.320 -0.001 0.000 0.308 212 A C -0.176 177.438 177.584 0.050 0.000 1.128 212 A CA -0.350 51.739 52.037 0.087 0.000 0.789 212 A CB 2.068 21.107 19.000 0.065 0.000 1.325 212 A HN 1.147 nan 8.150 nan 0.000 0.437 213 V N 1.065 121.031 119.914 0.087 0.000 2.398 213 V HA 0.489 4.608 4.120 -0.001 0.000 0.286 213 V C -0.055 176.062 176.094 0.039 0.000 1.026 213 V CA -0.358 61.979 62.300 0.062 0.000 0.868 213 V CB 1.159 33.040 31.823 0.097 0.000 0.982 213 V HN 0.914 nan 8.190 nan 0.000 0.443 214 E N 4.289 124.501 120.200 0.020 0.000 2.234 214 E HA 0.695 5.044 4.350 -0.001 0.000 0.266 214 E C -1.726 174.873 176.600 -0.002 0.000 0.877 214 E CA -0.616 55.788 56.400 0.007 0.000 0.758 214 E CB 1.908 31.611 29.700 0.004 0.000 1.170 214 E HN 0.597 nan 8.360 nan 0.000 0.415 215 L N 3.090 124.306 121.223 -0.012 0.000 2.386 215 L HA 0.485 4.825 4.340 -0.001 0.000 0.271 215 L C -0.565 176.287 176.870 -0.030 0.000 0.993 215 L CA -0.756 54.071 54.840 -0.021 0.000 0.819 215 L CB 2.160 44.202 42.059 -0.027 0.000 1.294 215 L HN 0.466 nan 8.230 nan 0.000 0.414 216 E N 1.372 121.550 120.200 -0.038 0.000 2.158 216 E HA 0.318 4.668 4.350 -0.001 0.000 0.271 216 E C -0.438 176.116 176.600 -0.078 0.000 0.911 216 E CA -0.548 55.824 56.400 -0.048 0.000 0.767 216 E CB 1.667 31.345 29.700 -0.037 0.000 1.120 216 E HN 0.603 nan 8.360 nan 0.000 0.405 217 S N 2.184 117.829 115.700 -0.093 0.000 3.550 217 S HA -0.125 4.344 4.470 -0.001 0.000 0.372 217 S C -2.224 172.238 174.600 -0.230 0.000 0.966 217 S CA 0.256 58.367 58.200 -0.149 0.000 1.229 217 S CB -1.320 61.791 63.200 -0.148 0.000 0.917 217 S HN 0.469 nan 8.310 nan 0.000 0.496 218 P HA 0.533 nan 4.420 nan 0.000 0.282 218 P C -0.011 177.159 177.300 -0.216 0.000 1.259 218 P CA -0.713 62.284 63.100 -0.171 0.000 0.826 218 P CB 0.512 32.176 31.700 -0.060 0.000 1.064 219 F N 0.781 120.728 119.950 -0.005 0.000 2.410 219 F HA 0.329 4.856 4.527 -0.001 0.000 0.334 219 F C 0.995 176.794 175.800 -0.002 0.000 1.134 219 F CA 0.066 58.065 58.000 -0.002 0.000 1.227 219 F CB 0.216 39.214 39.000 -0.004 0.000 1.194 219 F HN 0.059 nan 8.300 nan 0.000 0.571 220 I N 4.076 124.782 120.570 0.226 0.000 2.411 220 I HA 0.213 4.383 4.170 -0.001 0.000 0.284 220 I C -1.114 175.060 176.117 0.094 0.000 1.012 220 I CA -0.811 60.564 61.300 0.124 0.000 1.119 220 I CB 1.561 39.619 38.000 0.096 0.000 1.261 220 I HN 0.265 nan 8.210 nan 0.000 0.448 221 L N 8.344 129.607 121.223 0.065 0.000 2.281 221 L HA 0.433 4.772 4.340 -0.001 0.000 0.285 221 L C -0.847 176.040 176.870 0.029 0.000 1.074 221 L CA 0.174 55.035 54.840 0.034 0.000 0.817 221 L CB 0.531 42.602 42.059 0.020 0.000 1.168 221 L HN 0.465 nan 8.230 nan 0.000 0.434 222 L N 6.745 127.978 121.223 0.017 0.000 2.313 222 L HA 0.653 4.992 4.340 -0.001 0.000 0.273 222 L C 0.009 176.878 176.870 -0.001 0.000 1.028 222 L CA -0.310 54.533 54.840 0.006 0.000 0.871 222 L CB 0.956 43.014 42.059 -0.002 0.000 1.242 222 L HN 0.776 nan 8.230 nan 0.000 0.434 223 A N 1.305 124.127 122.820 0.003 0.000 2.271 223 A HA 0.402 4.721 4.320 -0.001 0.000 0.317 223 A C -0.338 177.246 177.584 0.000 0.000 1.245 223 A CA -0.475 51.564 52.037 0.002 0.000 0.857 223 A CB 0.711 19.716 19.000 0.009 0.000 1.175 223 A HN 0.641 nan 8.150 nan 0.000 0.512 224 D N 2.395 122.793 120.400 -0.004 0.000 2.741 224 D HA 0.382 5.021 4.640 -0.001 0.000 0.233 224 D C -0.024 176.278 176.300 0.003 0.000 1.160 224 D CA 0.176 54.173 54.000 -0.005 0.000 1.003 224 D CB -0.592 40.201 40.800 -0.012 0.000 1.064 224 D HN 0.635 nan 8.370 nan 0.000 0.503 225 K N -0.914 119.492 120.400 0.010 0.000 2.772 225 K HA 0.265 4.585 4.320 -0.001 0.000 0.292 225 K C -1.298 175.316 176.600 0.023 0.000 1.049 225 K CA -1.159 55.138 56.287 0.016 0.000 0.846 225 K CB 0.593 33.100 32.500 0.013 0.000 1.514 225 K HN -0.190 nan 8.250 nan 0.000 0.373 226 K N 1.299 121.714 120.400 0.026 0.000 2.276 226 K HA 0.336 4.656 4.320 -0.001 0.000 0.283 226 K C -0.518 176.100 176.600 0.031 0.000 1.044 226 K CA -0.341 55.965 56.287 0.032 0.000 0.944 226 K CB 0.585 33.105 32.500 0.033 0.000 1.012 226 K HN 0.371 nan 8.250 nan 0.000 0.472 227 I N 2.625 123.217 120.570 0.037 0.000 2.306 227 I HA 0.037 4.206 4.170 -0.001 0.000 0.288 227 I C 0.606 176.747 176.117 0.040 0.000 1.036 227 I CA 0.036 61.357 61.300 0.036 0.000 1.221 227 I CB 1.474 39.498 38.000 0.039 0.000 1.385 227 I HN 0.667 nan 8.210 nan 0.000 0.472 228 S N 3.594 119.313 115.700 0.032 0.000 2.506 228 S HA 0.180 4.649 4.470 -0.001 0.000 0.230 228 S C 0.716 175.333 174.600 0.029 0.000 1.066 228 S CA 0.019 58.238 58.200 0.032 0.000 0.940 228 S CB 0.206 63.422 63.200 0.026 0.000 0.818 228 S HN 0.591 nan 8.310 nan 0.000 0.518 229 N N 1.748 120.462 118.700 0.024 0.000 2.456 229 N HA 0.287 5.026 4.740 -0.001 0.000 0.288 229 N C 0.538 176.061 175.510 0.022 0.000 1.059 229 N CA -0.150 52.913 53.050 0.021 0.000 0.946 229 N CB 1.688 40.185 38.487 0.015 0.000 1.150 229 N HN 0.109 nan 8.380 nan 0.000 0.479 230 I N 2.450 123.033 120.570 0.022 0.000 2.315 230 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 230 I C 2.085 178.211 176.117 0.015 0.000 1.117 230 I CA 1.021 62.334 61.300 0.022 0.000 1.404 230 I CB 0.152 38.165 38.000 0.022 0.000 1.071 230 I HN 0.491 nan 8.210 nan 0.000 0.419 231 R N 0.866 121.373 120.500 0.012 0.000 2.159 231 R HA -0.285 4.054 4.340 -0.001 0.000 0.249 231 R C 1.994 178.297 176.300 0.006 0.000 1.136 231 R CA 2.604 58.709 56.100 0.008 0.000 0.951 231 R CB -0.576 29.728 30.300 0.007 0.000 0.876 231 R HN 0.576 nan 8.270 nan 0.000 0.440 232 E N -0.319 119.885 120.200 0.007 0.000 2.118 232 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 232 E C 2.025 178.626 176.600 0.002 0.000 0.992 232 E CA 1.128 57.531 56.400 0.004 0.000 0.804 232 E CB -0.069 29.635 29.700 0.007 0.000 0.741 232 E HN 0.294 nan 8.360 nan 0.000 0.458 233 M N 0.374 119.978 119.600 0.007 0.000 2.236 233 M HA -0.025 4.455 4.480 -0.001 0.000 0.266 233 M C 2.377 178.677 176.300 -0.000 0.000 1.070 233 M CA 0.955 56.258 55.300 0.005 0.000 1.137 233 M CB -0.828 31.780 32.600 0.015 0.000 1.378 233 M HN 0.142 nan 8.290 nan 0.000 0.426 234 L N 0.603 121.827 121.223 0.002 0.000 2.040 234 L HA -0.285 4.055 4.340 -0.001 0.000 0.228 234 L C -0.272 176.593 176.870 -0.008 0.000 1.092 234 L CA 2.179 57.019 54.840 -0.001 0.000 0.805 234 L CB -2.620 39.440 42.059 0.000 0.000 0.905 234 L HN 0.197 nan 8.230 nan 0.000 0.443 235 P HA -0.114 nan 4.420 nan 0.000 0.217 235 P C 1.852 179.132 177.300 -0.033 0.000 1.150 235 P CA 1.451 64.539 63.100 -0.021 0.000 0.832 235 P CB 0.017 31.705 31.700 -0.021 0.000 0.787 236 V N 0.240 120.133 119.914 -0.035 0.000 2.453 236 V HA -0.172 3.948 4.120 -0.001 0.000 0.247 236 V C 2.834 178.899 176.094 -0.048 0.000 1.048 236 V CA 1.306 63.574 62.300 -0.053 0.000 1.049 236 V CB -1.178 30.616 31.823 -0.048 0.000 0.672 236 V HN -0.003 nan 8.190 nan 0.000 0.457 237 L N -0.157 121.053 121.223 -0.022 0.000 2.046 237 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 237 L C 2.585 179.451 176.870 -0.006 0.000 1.077 237 L CA 1.777 56.613 54.840 -0.007 0.000 0.747 237 L CB -0.567 41.495 42.059 0.005 0.000 0.896 237 L HN 0.407 nan 8.230 nan 0.000 0.432 238 E N 0.060 120.253 120.200 -0.012 0.000 2.107 238 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 238 E C 2.307 178.896 176.600 -0.018 0.000 0.982 238 E CA 0.971 57.366 56.400 -0.009 0.000 0.809 238 E CB -0.166 29.529 29.700 -0.009 0.000 0.756 238 E HN 0.472 nan 8.360 nan 0.000 0.459 239 A N 1.066 123.861 122.820 -0.041 0.000 1.933 239 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 239 A C 2.484 180.022 177.584 -0.077 0.000 1.175 239 A CA 1.178 53.174 52.037 -0.068 0.000 0.628 239 A CB -0.597 18.339 19.000 -0.107 0.000 0.814 239 A HN 0.121 nan 8.150 nan 0.000 0.444 240 V N -0.227 119.645 119.914 -0.069 0.000 2.358 240 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 240 V C 3.038 179.179 176.094 0.079 0.000 1.047 240 V CA 1.684 63.990 62.300 0.009 0.000 1.035 240 V CB -1.277 30.574 31.823 0.046 0.000 0.658 240 V HN 0.606 nan 8.190 nan 0.000 0.452 241 A N -0.295 122.550 122.820 0.042 0.000 1.917 241 A HA -0.296 4.024 4.320 -0.001 0.000 0.219 241 A C 2.334 179.944 177.584 0.044 0.000 1.182 241 A CA 2.249 54.311 52.037 0.042 0.000 0.633 241 A CB -0.490 18.524 19.000 0.024 0.000 0.819 241 A HN 0.517 nan 8.150 nan 0.000 0.448 242 K N -0.753 119.667 120.400 0.034 0.000 2.057 242 K HA -0.050 4.270 4.320 -0.001 0.000 0.207 242 K C 2.067 178.701 176.600 0.056 0.000 1.049 242 K CA 1.081 57.387 56.287 0.033 0.000 0.931 242 K CB -0.267 32.242 32.500 0.015 0.000 0.714 242 K HN 0.446 nan 8.250 nan 0.000 0.440 243 A N 0.352 123.229 122.820 0.095 0.000 2.209 243 A HA 0.071 4.391 4.320 -0.001 0.000 0.212 243 A C 1.286 178.942 177.584 0.120 0.000 1.158 243 A CA 0.990 53.116 52.037 0.148 0.000 0.742 243 A CB -0.561 18.630 19.000 0.319 0.000 0.790 243 A HN 0.466 nan 8.150 nan 0.000 0.472 244 G N -0.566 108.289 108.800 0.092 0.000 2.249 244 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.273 244 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.273 244 G C 0.110 175.040 174.900 0.050 0.000 1.036 244 G CA 0.961 46.096 45.100 0.059 0.000 0.824 244 G HN 0.630 nan 8.290 nan 0.000 0.504 245 K N 0.264 120.717 120.400 0.089 0.000 2.281 245 K HA 0.602 4.921 4.320 -0.001 0.000 0.242 245 K C -2.296 174.342 176.600 0.063 0.000 0.971 245 K CA -2.048 54.252 56.287 0.022 0.000 0.834 245 K CB 2.383 34.800 32.500 -0.138 0.000 1.181 245 K HN 0.046 nan 8.250 nan 0.000 0.435 246 P HA 0.202 nan 4.420 nan 0.000 0.276 246 P C -1.299 176.039 177.300 0.063 0.000 1.252 246 P CA -0.613 62.503 63.100 0.027 0.000 0.802 246 P CB 0.696 32.391 31.700 -0.009 0.000 1.035 247 L N 1.792 123.047 121.223 0.053 0.000 2.362 247 L HA 0.501 4.841 4.340 -0.001 0.000 0.275 247 L C -1.261 175.609 176.870 0.000 0.000 0.998 247 L CA -1.000 53.882 54.840 0.070 0.000 0.820 247 L CB 1.457 43.561 42.059 0.076 0.000 1.270 247 L HN 0.150 nan 8.230 nan 0.000 0.415 248 L N 6.248 127.482 121.223 0.018 0.000 2.264 248 L HA 0.556 4.895 4.340 -0.001 0.000 0.289 248 L C -0.941 175.936 176.870 0.013 0.000 1.044 248 L CA -0.120 54.714 54.840 -0.009 0.000 0.807 248 L CB 0.856 42.926 42.059 0.019 0.000 1.192 248 L HN 0.422 nan 8.230 nan 0.000 0.425 249 I N 7.198 127.758 120.570 -0.016 0.000 2.304 249 I HA 0.249 4.419 4.170 -0.001 0.000 0.291 249 I C 0.036 176.178 176.117 0.043 0.000 1.018 249 I CA -0.181 61.126 61.300 0.012 0.000 1.260 249 I CB 0.739 38.740 38.000 0.001 0.000 1.390 249 I HN 0.539 nan 8.210 nan 0.000 0.475 250 I N 6.202 126.806 120.570 0.057 0.000 2.361 250 I HA 0.466 4.636 4.170 -0.001 0.000 0.282 250 I C 0.474 176.614 176.117 0.038 0.000 1.075 250 I CA -0.196 61.147 61.300 0.072 0.000 1.205 250 I CB 0.867 38.909 38.000 0.071 0.000 1.406 250 I HN 0.628 nan 8.210 nan 0.000 0.481 251 A N 4.382 127.230 122.820 0.047 0.000 2.344 251 A HA 0.412 4.731 4.320 -0.001 0.000 0.307 251 A C 1.056 178.662 177.584 0.038 0.000 1.151 251 A CA -0.543 51.516 52.037 0.035 0.000 0.842 251 A CB 1.234 20.259 19.000 0.041 0.000 1.350 251 A HN 0.709 nan 8.150 nan 0.000 0.459 252 E N -0.726 119.493 120.200 0.031 0.000 2.160 252 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 252 E C -0.428 176.203 176.600 0.053 0.000 0.991 252 E CA 1.583 58.005 56.400 0.037 0.000 0.810 252 E CB 0.141 29.860 29.700 0.033 0.000 0.742 252 E HN 0.628 nan 8.360 nan 0.000 0.466 253 D N -2.141 118.293 120.400 0.056 0.000 2.728 253 D HA 0.152 4.791 4.640 -0.001 0.000 0.249 253 D C -1.948 174.394 176.300 0.070 0.000 1.225 253 D CA -0.518 53.522 54.000 0.067 0.000 0.748 253 D CB 1.928 42.764 40.800 0.060 0.000 1.326 253 D HN -0.146 nan 8.370 nan 0.000 0.426 254 V N 2.397 122.364 119.914 0.088 0.000 2.376 254 V HA 0.467 4.586 4.120 -0.001 0.000 0.287 254 V C 0.053 176.203 176.094 0.092 0.000 1.015 254 V CA -0.636 61.720 62.300 0.093 0.000 0.834 254 V CB 1.331 33.227 31.823 0.122 0.000 1.001 254 V HN 0.427 nan 8.190 nan 0.000 0.428 255 E N 2.366 122.608 120.200 0.071 0.000 2.239 255 E HA 0.571 4.920 4.350 -0.001 0.000 0.261 255 E C 1.329 177.963 176.600 0.056 0.000 1.016 255 E CA -0.049 56.387 56.400 0.060 0.000 0.882 255 E CB 1.501 31.228 29.700 0.046 0.000 1.190 255 E HN 0.688 nan 8.360 nan 0.000 0.415 256 G N 1.466 110.294 108.800 0.046 0.000 3.903 256 G HA2 -0.468 3.492 3.960 -0.001 0.000 0.260 256 G HA3 -0.468 3.492 3.960 -0.001 0.000 0.260 256 G C 1.248 176.170 174.900 0.038 0.000 0.882 256 G CA 1.413 46.536 45.100 0.038 0.000 0.749 256 G HN 0.682 nan 8.290 nan 0.000 1.415 257 E N 0.952 121.171 120.200 0.032 0.000 2.068 257 E HA -0.239 4.111 4.350 -0.001 0.000 0.207 257 E C 3.007 179.629 176.600 0.037 0.000 1.032 257 E CA 2.181 58.598 56.400 0.028 0.000 0.839 257 E CB -0.708 29.006 29.700 0.023 0.000 0.758 257 E HN 0.504 nan 8.360 nan 0.000 0.457 258 A N 0.814 123.662 122.820 0.046 0.000 1.898 258 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 258 A C 2.274 179.909 177.584 0.085 0.000 1.181 258 A CA 1.405 53.477 52.037 0.058 0.000 0.620 258 A CB -0.692 18.342 19.000 0.057 0.000 0.819 258 A HN 0.321 nan 8.150 nan 0.000 0.442 259 L N -0.083 121.199 121.223 0.098 0.000 1.994 259 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 259 L C 2.769 179.698 176.870 0.099 0.000 1.071 259 L CA 2.290 57.213 54.840 0.138 0.000 0.745 259 L CB -0.855 41.281 42.059 0.128 0.000 0.892 259 L HN 0.362 nan 8.230 nan 0.000 0.431 260 A N -1.705 121.146 122.820 0.052 0.000 1.927 260 A HA -0.282 4.038 4.320 -0.001 0.000 0.220 260 A C 2.280 179.872 177.584 0.014 0.000 1.185 260 A CA 2.632 54.678 52.037 0.015 0.000 0.639 260 A CB -1.303 17.701 19.000 0.007 0.000 0.820 260 A HN 0.559 nan 8.150 nan 0.000 0.451 261 T N 0.228 114.804 114.554 0.037 0.000 2.812 261 T HA -0.018 4.332 4.350 -0.001 0.000 0.264 261 T C 1.810 176.548 174.700 0.064 0.000 1.042 261 T CA 1.326 63.447 62.100 0.036 0.000 1.140 261 T CB -0.351 68.539 68.868 0.036 0.000 0.870 261 T HN 0.385 nan 8.240 nan 0.000 0.445 262 L N 0.820 122.113 121.223 0.117 0.000 2.046 262 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 262 L C 2.653 179.671 176.870 0.247 0.000 1.077 262 L CA 0.881 55.839 54.840 0.196 0.000 0.747 262 L CB -0.804 41.423 42.059 0.281 0.000 0.896 262 L HN 0.147 nan 8.230 nan 0.000 0.432 263 V N -0.561 119.439 119.914 0.144 0.000 2.261 263 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 263 V C 2.428 178.486 176.094 -0.059 0.000 1.047 263 V CA 1.689 63.971 62.300 -0.029 0.000 1.015 263 V CB -0.316 31.402 31.823 -0.175 0.000 0.642 263 V HN 0.205 nan 8.190 nan 0.000 0.446 264 V N 0.466 120.343 119.914 -0.061 0.000 2.490 264 V HA -0.263 3.857 4.120 -0.001 0.000 0.250 264 V C 1.960 178.042 176.094 -0.020 0.000 1.061 264 V CA 2.363 64.623 62.300 -0.067 0.000 1.064 264 V CB -0.997 30.792 31.823 -0.056 0.000 0.670 264 V HN 0.634 nan 8.190 nan 0.000 0.461 265 N N -0.053 118.661 118.700 0.022 0.000 2.395 265 N HA -0.095 4.644 4.740 -0.001 0.000 0.175 265 N C 1.831 177.371 175.510 0.050 0.000 1.029 265 N CA 1.272 54.342 53.050 0.033 0.000 0.897 265 N CB 0.037 38.548 38.487 0.040 0.000 0.991 265 N HN 0.638 nan 8.380 nan 0.000 0.441 266 T N -1.484 113.124 114.554 0.090 0.000 3.088 266 T HA 0.064 4.414 4.350 -0.001 0.000 0.259 266 T C 1.693 176.434 174.700 0.069 0.000 1.122 266 T CA 0.260 62.422 62.100 0.103 0.000 1.095 266 T CB 0.056 69.040 68.868 0.193 0.000 0.930 266 T HN -0.023 nan 8.240 nan 0.000 0.508 267 M N 1.236 120.854 119.600 0.029 0.000 2.236 267 M HA 0.258 4.738 4.480 -0.001 0.000 0.266 267 M C 1.986 178.280 176.300 -0.010 0.000 1.070 267 M CA 1.246 56.538 55.300 -0.012 0.000 1.137 267 M CB -0.097 32.454 32.600 -0.081 0.000 1.378 267 M HN 0.067 nan 8.290 nan 0.000 0.426 268 R N -0.799 119.698 120.500 -0.006 0.000 2.356 268 R HA 0.319 4.659 4.340 -0.001 0.000 0.234 268 R C 1.177 177.479 176.300 0.003 0.000 0.929 268 R CA 0.553 56.649 56.100 -0.007 0.000 1.084 268 R CB -0.170 30.124 30.300 -0.010 0.000 1.105 268 R HN 0.593 nan 8.270 nan 0.000 0.515 269 G N 1.471 110.278 108.800 0.012 0.000 2.245 269 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.264 269 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.264 269 G C 0.981 175.892 174.900 0.018 0.000 0.985 269 G CA 0.602 45.712 45.100 0.016 0.000 0.625 269 G HN 0.315 nan 8.290 nan 0.000 0.536 270 I N -0.162 120.418 120.570 0.016 0.000 2.094 270 I HA -0.199 3.971 4.170 -0.001 0.000 0.236 270 I C 1.233 177.363 176.117 0.023 0.000 1.016 270 I CA 2.164 63.475 61.300 0.017 0.000 1.294 270 I CB -0.601 37.408 38.000 0.016 0.000 1.006 270 I HN 0.172 nan 8.210 nan 0.000 0.397 271 V N -0.081 119.851 119.914 0.030 0.000 2.789 271 V HA 0.280 4.399 4.120 -0.001 0.000 0.311 271 V C -0.685 175.432 176.094 0.038 0.000 1.073 271 V CA -1.040 61.280 62.300 0.034 0.000 0.921 271 V CB 1.865 33.709 31.823 0.034 0.000 1.009 271 V HN 0.090 nan 8.190 nan 0.000 0.426 272 K N 2.853 123.273 120.400 0.032 0.000 2.219 272 K HA 0.586 4.905 4.320 -0.001 0.000 0.280 272 K C -0.830 175.770 176.600 -0.001 0.000 1.104 272 K CA 0.075 56.377 56.287 0.025 0.000 0.925 272 K CB 0.888 33.399 32.500 0.018 0.000 1.261 272 K HN 0.482 nan 8.250 nan 0.000 0.445 273 V N 1.620 121.521 119.914 -0.021 0.000 2.656 273 V HA 0.802 4.921 4.120 -0.001 0.000 0.307 273 V C -0.589 175.275 176.094 -0.382 0.000 1.051 273 V CA -1.111 61.121 62.300 -0.114 0.000 0.893 273 V CB 1.892 33.681 31.823 -0.056 0.000 0.999 273 V HN 0.706 nan 8.190 nan 0.000 0.426 274 A N 3.127 125.633 122.820 -0.524 0.000 2.401 274 A HA 1.015 5.334 4.320 -0.001 0.000 0.310 274 A C -0.455 176.743 177.584 -0.643 0.000 1.075 274 A CA -0.340 51.060 52.037 -1.063 0.000 0.746 274 A CB 1.894 20.559 19.000 -0.559 0.000 1.277 274 A HN 1.508 nan 8.150 nan 0.000 0.425 275 A N 0.825 123.255 122.820 -0.650 0.000 2.371 275 A HA 0.799 5.118 4.320 -0.001 0.000 0.311 275 A C -0.391 177.243 177.584 0.082 0.000 1.068 275 A CA -0.139 51.831 52.037 -0.112 0.000 0.744 275 A CB 1.234 20.259 19.000 0.041 0.000 1.239 275 A HN 2.258 nan 8.150 nan 0.000 0.435 276 V N -0.437 119.542 119.914 0.108 0.000 2.962 276 V HA 0.622 4.741 4.120 -0.001 0.000 0.313 276 V C -0.327 175.865 176.094 0.163 0.000 1.099 276 V CA -1.233 61.163 62.300 0.161 0.000 0.971 276 V CB 1.501 33.431 31.823 0.179 0.000 1.028 276 V HN 0.872 nan 8.190 nan 0.000 0.430 277 K N 1.929 122.424 120.400 0.159 0.000 2.380 277 K HA 0.562 4.881 4.320 -0.001 0.000 0.267 277 K C 0.449 177.133 176.600 0.141 0.000 0.990 277 K CA 0.388 56.755 56.287 0.132 0.000 0.946 277 K CB 0.918 33.486 32.500 0.114 0.000 0.937 277 K HN 1.109 nan 8.250 nan 0.000 0.491 278 A N 3.704 126.557 122.820 0.056 0.000 2.371 278 A HA 0.271 4.590 4.320 -0.001 0.000 0.257 278 A C -2.099 175.454 177.584 -0.051 0.000 1.089 278 A CA -1.278 50.726 52.037 -0.055 0.000 0.794 278 A CB -0.222 18.739 19.000 -0.064 0.000 1.029 278 A HN 0.437 nan 8.150 nan 0.000 0.488 279 P HA 0.409 nan 4.420 nan 0.000 0.271 279 P C 0.624 177.914 177.300 -0.017 0.000 1.218 279 P CA 1.408 64.462 63.100 -0.077 0.000 0.780 279 P CB 0.631 32.185 31.700 -0.243 0.000 0.901 280 G N 1.589 110.436 108.800 0.077 0.000 2.782 280 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.228 280 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.228 280 G C -0.921 174.110 174.900 0.219 0.000 1.372 280 G CA -0.136 45.041 45.100 0.128 0.000 0.862 280 G HN 0.718 nan 8.290 nan 0.000 0.547 281 F N -1.695 118.266 119.950 0.018 0.000 2.629 281 F HA 0.853 5.380 4.527 -0.001 0.000 0.316 281 F C 1.038 176.850 175.800 0.019 0.000 1.081 281 F CA 0.187 58.198 58.000 0.018 0.000 0.954 281 F CB 1.090 40.106 39.000 0.026 0.000 1.337 281 F HN 2.481 nan 8.300 nan 0.000 0.474 282 G N 1.588 110.371 108.800 -0.028 0.000 2.574 282 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.286 282 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.286 282 G C 0.385 175.203 174.900 -0.137 0.000 1.212 282 G CA 0.675 45.706 45.100 -0.115 0.000 0.979 282 G HN 0.846 nan 8.290 nan 0.000 0.557 283 D N 1.120 121.425 120.400 -0.158 0.000 2.078 283 D HA -0.115 4.524 4.640 -0.001 0.000 0.193 283 D C 2.497 178.723 176.300 -0.122 0.000 0.990 283 D CA 1.935 55.868 54.000 -0.112 0.000 0.827 283 D CB -0.380 40.364 40.800 -0.093 0.000 0.975 283 D HN 0.721 nan 8.370 nan 0.000 0.451 284 R N 1.264 121.664 120.500 -0.167 0.000 2.249 284 R HA -0.082 4.257 4.340 -0.001 0.000 0.230 284 R C 2.092 178.320 176.300 -0.120 0.000 1.121 284 R CA 1.050 57.065 56.100 -0.142 0.000 0.997 284 R CB -0.480 29.725 30.300 -0.159 0.000 0.867 284 R HN 0.117 nan 8.270 nan 0.000 0.465 285 R N 1.619 122.048 120.500 -0.118 0.000 2.075 285 R HA -0.099 4.241 4.340 -0.001 0.000 0.232 285 R C 1.399 177.654 176.300 -0.076 0.000 1.126 285 R CA 1.768 57.820 56.100 -0.080 0.000 0.963 285 R CB -0.038 30.238 30.300 -0.040 0.000 0.858 285 R HN 0.315 nan 8.270 nan 0.000 0.435 286 K N 0.235 120.596 120.400 -0.066 0.000 2.026 286 K HA -0.073 4.247 4.320 -0.001 0.000 0.208 286 K C 2.190 178.753 176.600 -0.061 0.000 1.048 286 K CA 1.502 57.755 56.287 -0.055 0.000 0.929 286 K CB -0.245 32.229 32.500 -0.043 0.000 0.713 286 K HN 0.216 nan 8.250 nan 0.000 0.439 287 A N 1.294 124.074 122.820 -0.065 0.000 1.940 287 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 287 A C 2.148 179.688 177.584 -0.072 0.000 1.176 287 A CA 1.746 53.746 52.037 -0.063 0.000 0.631 287 A CB -0.508 18.453 19.000 -0.065 0.000 0.814 287 A HN 0.217 nan 8.150 nan 0.000 0.446 288 M N -1.190 118.356 119.600 -0.090 0.000 2.236 288 M HA 0.033 4.513 4.480 -0.001 0.000 0.266 288 M C 2.178 178.396 176.300 -0.136 0.000 1.070 288 M CA 0.950 56.183 55.300 -0.112 0.000 1.137 288 M CB -0.312 32.210 32.600 -0.131 0.000 1.378 288 M HN 0.410 nan 8.290 nan 0.000 0.426 289 L N 0.212 121.358 121.223 -0.128 0.000 2.079 289 L HA -0.278 4.062 4.340 -0.001 0.000 0.210 289 L C 2.615 179.436 176.870 -0.082 0.000 1.081 289 L CA 1.456 56.224 54.840 -0.120 0.000 0.752 289 L CB -0.299 41.708 42.059 -0.088 0.000 0.896 289 L HN 0.340 nan 8.230 nan 0.000 0.433 290 Q N 0.090 119.851 119.800 -0.065 0.000 2.079 290 Q HA -0.209 4.130 4.340 -0.001 0.000 0.200 290 Q C 1.667 177.642 176.000 -0.041 0.000 0.974 290 Q CA 1.794 57.570 55.803 -0.045 0.000 0.840 290 Q CB -0.134 28.581 28.738 -0.038 0.000 0.898 290 Q HN 0.414 nan 8.270 nan 0.000 0.430 291 D N 0.021 120.391 120.400 -0.051 0.000 2.116 291 D HA -0.198 4.441 4.640 -0.001 0.000 0.193 291 D C 1.873 178.155 176.300 -0.031 0.000 0.998 291 D CA 1.614 55.590 54.000 -0.040 0.000 0.836 291 D CB -0.288 40.484 40.800 -0.047 0.000 0.951 291 D HN 0.386 nan 8.370 nan 0.000 0.449 292 I N 1.125 121.665 120.570 -0.050 0.000 2.226 292 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 292 I C 2.541 178.656 176.117 -0.003 0.000 1.100 292 I CA 1.071 62.356 61.300 -0.025 0.000 1.374 292 I CB -0.302 37.660 38.000 -0.064 0.000 1.057 292 I HN -0.067 nan 8.210 nan 0.000 0.413 293 A N 0.629 123.441 122.820 -0.014 0.000 1.865 293 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 293 A C 2.404 179.991 177.584 0.005 0.000 1.191 293 A CA 2.673 54.710 52.037 -0.001 0.000 0.623 293 A CB -1.267 17.727 19.000 -0.009 0.000 0.826 293 A HN 0.390 nan 8.150 nan 0.000 0.444 294 T N 0.346 114.898 114.554 -0.002 0.000 2.699 294 T HA -0.145 4.204 4.350 -0.001 0.000 0.268 294 T C 1.805 176.510 174.700 0.008 0.000 1.036 294 T CA 1.359 63.459 62.100 0.001 0.000 1.147 294 T CB -0.302 68.563 68.868 -0.005 0.000 0.862 294 T HN 0.290 nan 8.240 nan 0.000 0.446 295 L N 1.643 122.873 121.223 0.011 0.000 2.056 295 L HA -0.047 4.292 4.340 -0.001 0.000 0.207 295 L C 2.349 179.233 176.870 0.024 0.000 1.078 295 L CA 2.212 57.063 54.840 0.018 0.000 0.749 295 L CB -1.209 40.865 42.059 0.026 0.000 0.901 295 L HN 0.454 nan 8.230 nan 0.000 0.433 296 T N -4.339 110.232 114.554 0.029 0.000 3.069 296 T HA 0.274 4.623 4.350 -0.001 0.000 0.252 296 T C 1.255 175.979 174.700 0.040 0.000 1.053 296 T CA 0.377 62.499 62.100 0.036 0.000 0.964 296 T CB 0.155 69.052 68.868 0.048 0.000 1.005 296 T HN 0.493 nan 8.240 nan 0.000 0.532 297 G N 0.668 109.487 108.800 0.031 0.000 2.160 297 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.251 297 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.251 297 G C 0.419 175.341 174.900 0.037 0.000 1.008 297 G CA -0.139 44.980 45.100 0.031 0.000 0.724 297 G HN 1.013 nan 8.290 nan 0.000 0.514 298 G N -1.595 107.225 108.800 0.035 0.000 2.537 298 G HA2 0.719 4.678 3.960 -0.001 0.000 0.297 298 G HA3 0.719 4.678 3.960 -0.001 0.000 0.297 298 G C -0.318 174.590 174.900 0.014 0.000 1.310 298 G CA 0.313 45.432 45.100 0.031 0.000 1.027 298 G HN 0.706 nan 8.290 nan 0.000 0.505 299 T N -0.065 114.493 114.554 0.008 0.000 2.879 299 T HA 0.378 4.728 4.350 -0.001 0.000 0.290 299 T C -0.186 174.511 174.700 -0.005 0.000 0.993 299 T CA -0.316 61.783 62.100 -0.001 0.000 0.975 299 T CB 1.737 70.602 68.868 -0.004 0.000 0.981 299 T HN 0.343 nan 8.240 nan 0.000 0.439 300 V N 4.640 124.548 119.914 -0.009 0.000 2.529 300 V HA 0.173 4.293 4.120 -0.001 0.000 0.292 300 V C 0.443 176.531 176.094 -0.011 0.000 1.028 300 V CA -0.048 62.244 62.300 -0.012 0.000 1.074 300 V CB 0.015 31.827 31.823 -0.018 0.000 0.958 300 V HN 0.763 nan 8.190 nan 0.000 0.481 301 I N 5.778 126.342 120.570 -0.009 0.000 2.276 301 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 301 I C 0.487 176.600 176.117 -0.007 0.000 1.109 301 I CA 0.210 61.505 61.300 -0.008 0.000 1.229 301 I CB 0.408 38.403 38.000 -0.008 0.000 1.452 301 I HN 0.706 nan 8.210 nan 0.000 0.497 302 S N 2.932 118.627 115.700 -0.007 0.000 2.509 302 S HA 0.384 4.854 4.470 -0.001 0.000 0.297 302 S C 0.560 175.157 174.600 -0.004 0.000 1.118 302 S CA -0.867 57.330 58.200 -0.006 0.000 1.074 302 S CB 2.154 65.348 63.200 -0.009 0.000 1.038 302 S HN 0.546 nan 8.310 nan 0.000 0.498 303 E N 1.078 121.277 120.200 -0.002 0.000 2.347 303 E HA -0.107 4.242 4.350 -0.001 0.000 0.196 303 E C 1.213 177.812 176.600 -0.001 0.000 1.008 303 E CA 0.672 57.072 56.400 -0.001 0.000 0.852 303 E CB -0.014 29.687 29.700 0.002 0.000 0.783 303 E HN 0.786 nan 8.360 nan 0.000 0.505 304 E N 0.528 120.727 120.200 -0.003 0.000 2.110 304 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 304 E C 1.553 178.150 176.600 -0.004 0.000 0.988 304 E CA 0.808 57.206 56.400 -0.003 0.000 0.804 304 E CB -0.005 29.692 29.700 -0.005 0.000 0.745 304 E HN 0.327 nan 8.360 nan 0.000 0.458 305 I N 0.100 120.667 120.570 -0.005 0.000 3.812 305 I HA 0.147 4.316 4.170 -0.001 0.000 0.320 305 I C 0.938 177.052 176.117 -0.005 0.000 1.276 305 I CA 0.083 61.380 61.300 -0.005 0.000 1.164 305 I CB -0.014 37.982 38.000 -0.007 0.000 1.009 305 I HN 0.111 nan 8.210 nan 0.000 0.431 306 G N 2.000 110.797 108.800 -0.004 0.000 2.246 306 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.273 306 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.273 306 G C 0.041 174.939 174.900 -0.004 0.000 1.055 306 G CA -0.077 45.021 45.100 -0.003 0.000 0.851 306 G HN 0.348 nan 8.290 nan 0.000 0.500 307 M N -0.109 119.489 119.600 -0.005 0.000 2.363 307 M HA 0.537 5.017 4.480 -0.001 0.000 0.343 307 M C 0.280 176.577 176.300 -0.005 0.000 1.165 307 M CA -0.340 54.957 55.300 -0.006 0.000 1.046 307 M CB 1.529 34.125 32.600 -0.008 0.000 1.648 307 M HN 0.227 nan 8.290 nan 0.000 0.452 308 E N 1.703 121.899 120.200 -0.007 0.000 2.221 308 E HA 0.337 4.686 4.350 -0.001 0.000 0.268 308 E C 0.199 176.794 176.600 -0.008 0.000 0.933 308 E CA -0.576 55.820 56.400 -0.006 0.000 0.809 308 E CB 2.166 31.863 29.700 -0.005 0.000 1.190 308 E HN 0.668 nan 8.360 nan 0.000 0.406 309 L N 1.455 122.674 121.223 -0.007 0.000 2.291 309 L HA -0.125 4.215 4.340 -0.001 0.000 0.214 309 L C 1.550 178.412 176.870 -0.013 0.000 1.120 309 L CA 0.919 55.753 54.840 -0.009 0.000 0.799 309 L CB -0.156 41.900 42.059 -0.004 0.000 0.925 309 L HN 0.541 nan 8.230 nan 0.000 0.446 310 E N 0.479 120.672 120.200 -0.011 0.000 2.150 310 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 310 E C 0.856 177.445 176.600 -0.017 0.000 0.985 310 E CA 0.941 57.334 56.400 -0.013 0.000 0.814 310 E CB 0.052 29.747 29.700 -0.009 0.000 0.752 310 E HN 0.263 nan 8.360 nan 0.000 0.466 311 K N 0.479 120.869 120.400 -0.017 0.000 3.141 311 K HA 0.458 4.778 4.320 -0.001 0.000 0.248 311 K C -0.866 175.719 176.600 -0.024 0.000 1.282 311 K CA -0.256 56.019 56.287 -0.019 0.000 1.251 311 K CB 0.975 33.466 32.500 -0.014 0.000 1.533 311 K HN -0.029 nan 8.250 nan 0.000 0.409 312 A N 0.958 123.760 122.820 -0.031 0.000 2.374 312 A HA 0.506 4.825 4.320 -0.001 0.000 0.305 312 A C 0.009 177.558 177.584 -0.059 0.000 1.053 312 A CA -0.655 51.358 52.037 -0.041 0.000 0.726 312 A CB 0.968 19.945 19.000 -0.038 0.000 1.229 312 A HN 0.277 nan 8.150 nan 0.000 0.431 313 T N -0.284 114.228 114.554 -0.070 0.000 2.919 313 T HA 0.550 4.900 4.350 -0.001 0.000 0.282 313 T C 1.156 175.765 174.700 -0.152 0.000 1.020 313 T CA -0.721 61.321 62.100 -0.096 0.000 0.994 313 T CB 0.411 69.235 68.868 -0.073 0.000 1.180 313 T HN 0.345 nan 8.240 nan 0.000 0.566 314 L N -0.020 121.076 121.223 -0.211 0.000 2.187 314 L HA -0.058 4.282 4.340 -0.001 0.000 0.213 314 L C 2.898 179.631 176.870 -0.228 0.000 1.100 314 L CA 1.574 56.193 54.840 -0.370 0.000 0.765 314 L CB -0.568 41.244 42.059 -0.412 0.000 0.904 314 L HN 0.861 nan 8.230 nan 0.000 0.437 315 E N 0.208 120.341 120.200 -0.111 0.000 2.150 315 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 315 E C 1.531 178.114 176.600 -0.028 0.000 0.985 315 E CA 1.124 57.498 56.400 -0.043 0.000 0.814 315 E CB 0.183 29.867 29.700 -0.028 0.000 0.752 315 E HN 0.452 nan 8.360 nan 0.000 0.466 316 D N 0.084 120.455 120.400 -0.048 0.000 2.183 316 D HA -0.085 4.555 4.640 -0.001 0.000 0.203 316 D C 0.230 176.523 176.300 -0.013 0.000 0.969 316 D CA 0.430 54.413 54.000 -0.029 0.000 0.842 316 D CB 0.039 40.817 40.800 -0.037 0.000 0.957 316 D HN 0.129 nan 8.370 nan 0.000 0.484 317 L N 0.965 122.170 121.223 -0.031 0.000 2.456 317 L HA 0.241 4.581 4.340 -0.001 0.000 0.272 317 L C 1.414 178.353 176.870 0.115 0.000 1.189 317 L CA 0.146 55.000 54.840 0.024 0.000 0.846 317 L CB 0.652 42.681 42.059 -0.050 0.000 1.111 317 L HN -0.162 nan 8.230 nan 0.000 0.475 318 G N 1.818 110.692 108.800 0.123 0.000 2.588 318 G HA2 0.513 4.472 3.960 -0.001 0.000 0.281 318 G HA3 0.513 4.472 3.960 -0.001 0.000 0.281 318 G C -0.898 174.102 174.900 0.167 0.000 1.236 318 G CA -0.234 44.938 45.100 0.121 0.000 0.969 318 G HN 0.560 nan 8.290 nan 0.000 0.504 319 Q N -1.895 117.961 119.800 0.092 0.000 2.435 319 Q HA 0.594 4.933 4.340 -0.001 0.000 0.282 319 Q C -1.241 174.757 176.000 -0.004 0.000 1.020 319 Q CA -0.756 55.061 55.803 0.024 0.000 0.820 319 Q CB 2.380 31.110 28.738 -0.013 0.000 1.436 319 Q HN 1.000 nan 8.270 nan 0.000 0.395 320 A N 1.432 124.227 122.820 -0.040 0.000 2.606 320 A HA 0.403 4.722 4.320 -0.001 0.000 0.293 320 A C -0.524 177.028 177.584 -0.053 0.000 1.082 320 A CA -0.597 51.422 52.037 -0.029 0.000 0.685 320 A CB 1.498 20.496 19.000 -0.004 0.000 1.284 320 A HN 0.775 nan 8.150 nan 0.000 0.408 321 K N -0.421 119.955 120.400 -0.040 0.000 2.097 321 K HA -0.053 4.266 4.320 -0.001 0.000 0.206 321 K C 0.660 177.235 176.600 -0.042 0.000 1.049 321 K CA 1.323 57.584 56.287 -0.044 0.000 0.933 321 K CB 0.104 32.586 32.500 -0.030 0.000 0.717 321 K HN 0.529 nan 8.250 nan 0.000 0.442 322 R N -0.005 120.477 120.500 -0.030 0.000 2.566 322 R HA 0.190 4.529 4.340 -0.001 0.000 0.271 322 R C -1.799 174.490 176.300 -0.018 0.000 1.071 322 R CA -0.496 55.589 56.100 -0.026 0.000 0.915 322 R CB 2.054 32.343 30.300 -0.020 0.000 1.228 322 R HN -0.048 nan 8.270 nan 0.000 0.449 323 V N 0.719 120.622 119.914 -0.019 0.000 2.735 323 V HA 0.834 4.953 4.120 -0.001 0.000 0.310 323 V C -1.181 174.901 176.094 -0.019 0.000 1.061 323 V CA -0.618 61.671 62.300 -0.018 0.000 0.913 323 V CB 2.116 33.932 31.823 -0.010 0.000 1.005 323 V HN 0.415 nan 8.190 nan 0.000 0.428 324 V N 6.175 126.072 119.914 -0.028 0.000 2.531 324 V HA 0.602 4.721 4.120 -0.001 0.000 0.301 324 V C -0.176 175.901 176.094 -0.029 0.000 1.034 324 V CA -0.398 61.892 62.300 -0.016 0.000 0.865 324 V CB 1.605 33.420 31.823 -0.012 0.000 0.995 324 V HN 1.059 nan 8.190 nan 0.000 0.424 325 I N 1.591 122.172 120.570 0.018 0.000 2.466 325 I HA 0.674 4.843 4.170 -0.001 0.000 0.289 325 I C -0.665 175.532 176.117 0.134 0.000 1.026 325 I CA -0.434 60.886 61.300 0.033 0.000 1.078 325 I CB 2.090 40.118 38.000 0.048 0.000 1.249 325 I HN 0.446 nan 8.210 nan 0.000 0.429 326 N N 5.096 123.816 118.700 0.034 0.000 2.495 326 N HA 0.215 4.954 4.740 -0.001 0.000 0.294 326 N C 0.706 176.065 175.510 -0.251 0.000 1.276 326 N CA -0.574 52.499 53.050 0.039 0.000 0.973 326 N CB 0.861 39.329 38.487 -0.031 0.000 1.143 326 N HN 0.664 nan 8.380 nan 0.000 0.589 327 K N 0.040 120.257 120.400 -0.305 0.000 2.152 327 K HA -0.177 4.143 4.320 -0.001 0.000 0.206 327 K C -0.461 175.837 176.600 -0.502 0.000 1.048 327 K CA 1.935 57.831 56.287 -0.652 0.000 0.933 327 K CB -0.005 32.372 32.500 -0.205 0.000 0.721 327 K HN 0.606 nan 8.250 nan 0.000 0.447 328 D N -1.568 118.670 120.400 -0.270 0.000 2.822 328 D HA 0.115 4.755 4.640 -0.001 0.000 0.327 328 D C -0.853 175.368 176.300 -0.132 0.000 1.577 328 D CA -0.459 53.432 54.000 -0.181 0.000 0.785 328 D CB 0.887 41.620 40.800 -0.112 0.000 1.199 328 D HN -0.183 nan 8.370 nan 0.000 0.443 329 T N -0.324 114.133 114.554 -0.161 0.000 2.956 329 T HA 0.595 4.945 4.350 -0.001 0.000 0.312 329 T C -1.207 173.337 174.700 -0.261 0.000 1.151 329 T CA -0.386 61.605 62.100 -0.181 0.000 1.024 329 T CB 2.129 70.926 68.868 -0.117 0.000 1.140 329 T HN -0.085 nan 8.240 nan 0.000 0.473 330 T N 2.240 116.498 114.554 -0.493 0.000 2.812 330 T HA 0.658 5.007 4.350 -0.001 0.000 0.282 330 T C -0.556 173.814 174.700 -0.550 0.000 0.990 330 T CA -0.515 61.225 62.100 -0.600 0.000 0.960 330 T CB 1.519 69.785 68.868 -1.003 0.000 0.948 330 T HN 0.631 nan 8.240 nan 0.000 0.438 331 T N 3.465 117.858 114.554 -0.269 0.000 2.841 331 T HA 0.699 5.048 4.350 -0.001 0.000 0.285 331 T C -0.869 173.790 174.700 -0.068 0.000 0.991 331 T CA -0.698 61.312 62.100 -0.150 0.000 0.966 331 T CB 0.317 69.130 68.868 -0.092 0.000 0.962 331 T HN 0.483 nan 8.240 nan 0.000 0.438 332 I N 5.855 126.419 120.570 -0.010 0.000 2.354 332 I HA 0.447 4.616 4.170 -0.001 0.000 0.286 332 I C -0.543 175.587 176.117 0.021 0.000 1.007 332 I CA -0.854 60.462 61.300 0.027 0.000 1.167 332 I CB 1.433 39.486 38.000 0.088 0.000 1.320 332 I HN 0.592 nan 8.210 nan 0.000 0.458 333 I N 5.967 126.541 120.570 0.007 0.000 2.355 333 I HA 0.264 4.433 4.170 -0.001 0.000 0.288 333 I C -0.395 175.722 176.117 0.000 0.000 0.999 333 I CA -0.317 60.984 61.300 0.002 0.000 1.163 333 I CB 1.137 39.134 38.000 -0.005 0.000 1.316 333 I HN 0.552 nan 8.210 nan 0.000 0.454 334 D N 4.939 125.341 120.400 0.004 0.000 2.990 334 D HA -0.115 4.525 4.640 -0.001 0.000 0.245 334 D C 0.250 176.550 176.300 0.001 0.000 1.120 334 D CA 0.901 54.901 54.000 0.000 0.000 0.838 334 D CB -0.327 40.469 40.800 -0.006 0.000 1.000 334 D HN 0.803 nan 8.370 nan 0.000 0.420 335 G N 0.238 109.044 108.800 0.010 0.000 2.483 335 G HA2 0.345 4.304 3.960 -0.001 0.000 0.248 335 G HA3 0.345 4.304 3.960 -0.001 0.000 0.248 335 G C 1.473 176.379 174.900 0.009 0.000 1.248 335 G CA -0.261 44.847 45.100 0.013 0.000 0.838 335 G HN 0.316 nan 8.290 nan 0.000 0.566 336 V N 2.643 122.563 119.914 0.010 0.000 2.626 336 V HA -0.027 4.092 4.120 -0.001 0.000 0.252 336 V C 2.303 178.406 176.094 0.014 0.000 1.067 336 V CA 1.214 63.520 62.300 0.010 0.000 1.081 336 V CB -1.201 30.631 31.823 0.016 0.000 0.686 336 V HN 0.894 nan 8.190 nan 0.000 0.468 337 G N 0.912 109.722 108.800 0.017 0.000 2.341 337 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.231 337 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.231 337 G C -0.077 174.830 174.900 0.011 0.000 1.206 337 G CA -0.092 45.018 45.100 0.015 0.000 0.865 337 G HN 0.550 nan 8.290 nan 0.000 0.515 338 E N 1.423 121.628 120.200 0.010 0.000 2.343 338 E HA 0.076 4.425 4.350 -0.001 0.000 0.269 338 E C 0.947 177.551 176.600 0.005 0.000 1.047 338 E CA -0.342 56.062 56.400 0.007 0.000 0.874 338 E CB 1.485 31.189 29.700 0.007 0.000 1.033 338 E HN 0.675 nan 8.360 nan 0.000 0.409 339 E N 1.587 121.789 120.200 0.004 0.000 2.160 339 E HA -0.257 4.092 4.350 -0.001 0.000 0.195 339 E C 1.805 178.407 176.600 0.002 0.000 0.991 339 E CA 1.036 57.438 56.400 0.003 0.000 0.810 339 E CB -0.037 29.665 29.700 0.002 0.000 0.742 339 E HN 0.597 nan 8.360 nan 0.000 0.466 340 A N 1.726 124.547 122.820 0.002 0.000 1.851 340 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 340 A C 2.436 180.020 177.584 0.000 0.000 1.195 340 A CA 1.996 54.033 52.037 0.001 0.000 0.622 340 A CB -0.783 18.218 19.000 0.001 0.000 0.831 340 A HN 0.313 nan 8.150 nan 0.000 0.444 341 A N -0.471 122.350 122.820 0.001 0.000 1.902 341 A HA -0.049 4.270 4.320 -0.001 0.000 0.217 341 A C 2.172 179.755 177.584 -0.001 0.000 1.181 341 A CA 1.556 53.593 52.037 0.000 0.000 0.623 341 A CB -0.606 18.395 19.000 0.002 0.000 0.818 341 A HN 0.502 nan 8.150 nan 0.000 0.443 342 I N -1.040 119.531 120.570 0.001 0.000 2.163 342 I HA -0.249 3.920 4.170 -0.001 0.000 0.240 342 I C 2.751 178.867 176.117 -0.001 0.000 1.081 342 I CA 1.666 62.966 61.300 0.001 0.000 1.353 342 I CB -0.278 37.724 38.000 0.004 0.000 1.054 342 I HN 0.313 nan 8.210 nan 0.000 0.407 343 Q N 1.257 121.056 119.800 -0.001 0.000 2.135 343 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 343 Q C 2.046 178.044 176.000 -0.004 0.000 0.981 343 Q CA 2.061 57.862 55.803 -0.002 0.000 0.856 343 Q CB -0.837 27.900 28.738 -0.001 0.000 0.902 343 Q HN 0.508 nan 8.270 nan 0.000 0.425 344 G N -0.254 108.544 108.800 -0.004 0.000 2.402 344 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.216 344 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.216 344 G C 1.595 176.491 174.900 -0.007 0.000 1.162 344 G CA 0.765 45.862 45.100 -0.005 0.000 0.777 344 G HN 0.380 nan 8.290 nan 0.000 0.539 345 R N 0.140 120.636 120.500 -0.007 0.000 2.096 345 R HA 0.009 4.348 4.340 -0.001 0.000 0.235 345 R C 2.530 178.823 176.300 -0.012 0.000 1.127 345 R CA 1.327 57.421 56.100 -0.010 0.000 0.968 345 R CB -0.718 29.576 30.300 -0.010 0.000 0.861 345 R HN 0.199 nan 8.270 nan 0.000 0.440 346 V N 0.785 120.693 119.914 -0.009 0.000 2.295 346 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 346 V C 2.355 178.443 176.094 -0.011 0.000 1.049 346 V CA 2.020 64.314 62.300 -0.010 0.000 1.024 346 V CB -0.942 30.877 31.823 -0.007 0.000 0.648 346 V HN 0.577 nan 8.190 nan 0.000 0.447 347 A N -1.068 121.747 122.820 -0.009 0.000 1.940 347 A HA -0.310 4.010 4.320 -0.001 0.000 0.219 347 A C 2.163 179.741 177.584 -0.011 0.000 1.176 347 A CA 2.106 54.138 52.037 -0.009 0.000 0.631 347 A CB -0.468 18.528 19.000 -0.007 0.000 0.814 347 A HN 0.657 nan 8.150 nan 0.000 0.446 348 Q N -0.512 119.280 119.800 -0.012 0.000 1.993 348 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 348 Q C 2.099 178.089 176.000 -0.017 0.000 0.984 348 Q CA 1.705 57.500 55.803 -0.014 0.000 0.837 348 Q CB -0.343 28.387 28.738 -0.015 0.000 0.902 348 Q HN 0.751 nan 8.270 nan 0.000 0.423 349 I N 0.254 120.812 120.570 -0.019 0.000 2.208 349 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 349 I C 2.544 178.647 176.117 -0.022 0.000 1.097 349 I CA 1.095 62.380 61.300 -0.024 0.000 1.363 349 I CB -0.309 37.675 38.000 -0.026 0.000 1.051 349 I HN 0.151 nan 8.210 nan 0.000 0.413 350 R N 0.637 121.126 120.500 -0.018 0.000 2.127 350 R HA -0.205 4.135 4.340 -0.001 0.000 0.238 350 R C 2.334 178.626 176.300 -0.015 0.000 1.134 350 R CA 1.463 57.553 56.100 -0.016 0.000 0.975 350 R CB -0.074 30.219 30.300 -0.012 0.000 0.865 350 R HN 0.439 nan 8.270 nan 0.000 0.447 351 Q N -0.581 119.210 119.800 -0.014 0.000 2.137 351 Q HA -0.128 4.211 4.340 -0.001 0.000 0.198 351 Q C 2.026 178.017 176.000 -0.015 0.000 0.960 351 Q CA 1.023 56.819 55.803 -0.013 0.000 0.847 351 Q CB 0.233 28.965 28.738 -0.011 0.000 0.915 351 Q HN 0.487 nan 8.270 nan 0.000 0.448 352 Q N 0.364 120.153 119.800 -0.018 0.000 2.135 352 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 352 Q C 2.093 178.080 176.000 -0.022 0.000 0.981 352 Q CA 1.107 56.898 55.803 -0.021 0.000 0.856 352 Q CB -0.300 28.422 28.738 -0.027 0.000 0.902 352 Q HN 0.475 nan 8.270 nan 0.000 0.425 353 I N 1.356 121.912 120.570 -0.023 0.000 2.264 353 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 353 I C 2.132 178.240 176.117 -0.016 0.000 1.111 353 I CA 1.048 62.335 61.300 -0.022 0.000 1.382 353 I CB -0.323 37.663 38.000 -0.023 0.000 1.060 353 I HN 0.161 nan 8.210 nan 0.000 0.418 354 E N 1.041 121.233 120.200 -0.013 0.000 2.107 354 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 354 E C 1.733 178.328 176.600 -0.008 0.000 0.982 354 E CA 1.108 57.503 56.400 -0.009 0.000 0.809 354 E CB -0.252 29.443 29.700 -0.008 0.000 0.756 354 E HN 0.635 nan 8.360 nan 0.000 0.459 355 E N 0.902 121.096 120.200 -0.009 0.000 2.478 355 E HA 0.196 4.545 4.350 -0.001 0.000 0.194 355 E C 0.426 177.022 176.600 -0.006 0.000 1.045 355 E CA 0.040 56.436 56.400 -0.007 0.000 0.868 355 E CB 0.313 30.009 29.700 -0.008 0.000 0.885 355 E HN 0.061 nan 8.360 nan 0.000 0.505 356 A N 1.807 124.622 122.820 -0.009 0.000 2.548 356 A HA 0.039 4.359 4.320 -0.001 0.000 0.247 356 A C 1.166 178.751 177.584 0.001 0.000 1.067 356 A CA 0.390 52.423 52.037 -0.007 0.000 0.757 356 A CB -0.127 18.864 19.000 -0.014 0.000 0.996 356 A HN 0.235 nan 8.150 nan 0.000 0.504 357 T N -0.618 113.941 114.554 0.008 0.000 3.105 357 T HA 0.401 4.751 4.350 -0.001 0.000 0.253 357 T C 0.373 175.086 174.700 0.022 0.000 1.047 357 T CA 0.378 62.485 62.100 0.012 0.000 0.944 357 T CB -0.294 68.581 68.868 0.011 0.000 1.016 357 T HN 1.131 nan 8.240 nan 0.000 0.544 358 S N -0.203 115.515 115.700 0.029 0.000 2.546 358 S HA 0.339 4.808 4.470 -0.001 0.000 0.272 358 S C -0.096 174.537 174.600 0.054 0.000 1.140 358 S CA -0.630 57.601 58.200 0.051 0.000 0.920 358 S CB 1.602 64.847 63.200 0.075 0.000 1.083 358 S HN 0.020 nan 8.310 nan 0.000 0.476 359 D N 2.385 122.823 120.400 0.063 0.000 2.116 359 D HA -0.140 4.500 4.640 -0.001 0.000 0.193 359 D C 1.364 177.703 176.300 0.066 0.000 0.998 359 D CA 1.792 55.826 54.000 0.056 0.000 0.836 359 D CB -0.351 40.487 40.800 0.063 0.000 0.951 359 D HN 0.736 nan 8.370 nan 0.000 0.449 360 Y N 2.341 122.643 120.300 0.003 0.000 2.081 360 Y HA -0.242 4.308 4.550 -0.001 0.000 0.280 360 Y C 1.902 177.800 175.900 -0.004 0.000 1.163 360 Y CA 1.900 60.002 58.100 0.004 0.000 1.135 360 Y CB -0.304 38.160 38.460 0.007 0.000 0.970 360 Y HN -0.053 nan 8.280 nan 0.000 0.498 361 D N -0.409 119.954 120.400 -0.062 0.000 2.117 361 D HA -0.213 4.426 4.640 -0.001 0.000 0.197 361 D C 2.266 178.482 176.300 -0.139 0.000 0.987 361 D CA 1.445 55.370 54.000 -0.125 0.000 0.829 361 D CB -0.312 40.480 40.800 -0.015 0.000 0.961 361 D HN 0.379 nan 8.370 nan 0.000 0.460 362 R N 0.952 121.402 120.500 -0.082 0.000 2.080 362 R HA -0.147 4.193 4.340 -0.001 0.000 0.236 362 R C 2.226 178.470 176.300 -0.092 0.000 1.137 362 R CA 1.358 57.418 56.100 -0.066 0.000 0.943 362 R CB 0.115 30.396 30.300 -0.031 0.000 0.846 362 R HN 0.111 nan 8.270 nan 0.000 0.431 363 E N 0.731 120.862 120.200 -0.114 0.000 2.058 363 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 363 E C 1.880 178.387 176.600 -0.155 0.000 0.997 363 E CA 1.012 57.344 56.400 -0.114 0.000 0.801 363 E CB -0.190 29.451 29.700 -0.099 0.000 0.746 363 E HN 0.238 nan 8.360 nan 0.000 0.450 364 K N 0.837 121.077 120.400 -0.267 0.000 2.103 364 K HA -0.056 4.263 4.320 -0.001 0.000 0.207 364 K C 2.413 178.921 176.600 -0.152 0.000 1.048 364 K CA 0.684 56.817 56.287 -0.258 0.000 0.930 364 K CB -0.475 31.786 32.500 -0.399 0.000 0.716 364 K HN 0.203 nan 8.250 nan 0.000 0.444 365 L N 0.756 121.901 121.223 -0.131 0.000 2.044 365 L HA -0.157 4.182 4.340 -0.001 0.000 0.205 365 L C 2.552 179.384 176.870 -0.063 0.000 1.075 365 L CA 1.063 55.852 54.840 -0.086 0.000 0.747 365 L CB -0.429 41.587 42.059 -0.072 0.000 0.903 365 L HN 0.178 nan 8.230 nan 0.000 0.435 366 Q N 0.026 119.789 119.800 -0.060 0.000 2.152 366 Q HA -0.264 4.076 4.340 -0.001 0.000 0.206 366 Q C 2.080 178.059 176.000 -0.035 0.000 0.985 366 Q CA 1.708 57.486 55.803 -0.041 0.000 0.863 366 Q CB -0.157 28.559 28.738 -0.036 0.000 0.904 366 Q HN 0.533 nan 8.270 nan 0.000 0.422 367 E N 0.293 120.467 120.200 -0.044 0.000 2.077 367 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 367 E C 2.077 178.663 176.600 -0.023 0.000 0.989 367 E CA 0.750 57.132 56.400 -0.030 0.000 0.800 367 E CB 0.029 29.708 29.700 -0.036 0.000 0.746 367 E HN 0.277 nan 8.360 nan 0.000 0.452 368 R N 0.462 120.941 120.500 -0.035 0.000 2.075 368 R HA -0.112 4.227 4.340 -0.001 0.000 0.232 368 R C 2.740 179.029 176.300 -0.019 0.000 1.126 368 R CA 1.529 57.612 56.100 -0.029 0.000 0.963 368 R CB -0.692 29.582 30.300 -0.043 0.000 0.858 368 R HN 0.211 nan 8.270 nan 0.000 0.435 369 V N -0.971 118.931 119.914 -0.021 0.000 2.295 369 V HA -0.141 3.979 4.120 -0.001 0.000 0.246 369 V C 2.390 178.480 176.094 -0.008 0.000 1.049 369 V CA 1.816 64.108 62.300 -0.015 0.000 1.024 369 V CB -1.122 30.692 31.823 -0.016 0.000 0.648 369 V HN 0.243 nan 8.190 nan 0.000 0.447 370 A N 0.548 123.363 122.820 -0.007 0.000 1.908 370 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 370 A C 2.344 179.932 177.584 0.006 0.000 1.181 370 A CA 2.395 54.432 52.037 -0.001 0.000 0.627 370 A CB -0.668 18.331 19.000 -0.002 0.000 0.818 370 A HN 0.638 nan 8.150 nan 0.000 0.445 371 K N -1.285 119.121 120.400 0.010 0.000 2.026 371 K HA -0.089 4.230 4.320 -0.001 0.000 0.208 371 K C 1.861 178.474 176.600 0.022 0.000 1.048 371 K CA 1.394 57.696 56.287 0.024 0.000 0.929 371 K CB -0.263 32.259 32.500 0.036 0.000 0.713 371 K HN 0.350 nan 8.250 nan 0.000 0.439 372 L N 0.150 121.380 121.223 0.012 0.000 2.179 372 L HA 0.047 4.386 4.340 -0.001 0.000 0.208 372 L C 1.931 178.805 176.870 0.007 0.000 1.096 372 L CA 1.360 56.206 54.840 0.010 0.000 0.779 372 L CB -0.354 41.705 42.059 0.001 0.000 0.922 372 L HN 0.077 nan 8.230 nan 0.000 0.443 373 A N -1.509 121.314 122.820 0.004 0.000 2.132 373 A HA 0.234 4.554 4.320 -0.001 0.000 0.213 373 A C 2.149 179.736 177.584 0.004 0.000 1.154 373 A CA 0.806 52.845 52.037 0.003 0.000 0.753 373 A CB -0.770 18.229 19.000 -0.001 0.000 0.826 373 A HN 0.429 nan 8.150 nan 0.000 0.469 374 G N -0.954 107.850 108.800 0.007 0.000 2.492 374 G HA2 0.393 4.353 3.960 -0.001 0.000 0.214 374 G HA3 0.393 4.353 3.960 -0.001 0.000 0.214 374 G C 1.133 176.038 174.900 0.008 0.000 1.147 374 G CA 0.659 45.763 45.100 0.007 0.000 0.809 374 G HN 1.545 nan 8.290 nan 0.000 0.533 375 G N -1.292 107.516 108.800 0.012 0.000 2.562 375 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.250 375 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.250 375 G C -0.608 174.300 174.900 0.012 0.000 1.269 375 G CA -0.085 45.023 45.100 0.012 0.000 0.919 375 G HN 1.092 nan 8.290 nan 0.000 0.574 376 V N 0.292 120.211 119.914 0.009 0.000 2.668 376 V HA 0.704 4.823 4.120 -0.001 0.000 0.304 376 V C 0.607 176.703 176.094 0.003 0.000 1.071 376 V CA -0.058 62.245 62.300 0.006 0.000 0.894 376 V CB 1.368 33.194 31.823 0.006 0.000 1.008 376 V HN 2.145 nan 8.190 nan 0.000 0.425 377 A N 4.471 127.292 122.820 0.002 0.000 2.366 377 A HA 0.742 5.062 4.320 -0.001 0.000 0.272 377 A C -0.452 177.133 177.584 0.001 0.000 1.135 377 A CA -0.273 51.765 52.037 0.002 0.000 0.804 377 A CB 0.737 19.737 19.000 0.001 0.000 1.064 377 A HN 0.778 nan 8.150 nan 0.000 0.499 378 V N 4.616 124.531 119.914 0.001 0.000 2.409 378 V HA 0.312 4.432 4.120 -0.001 0.000 0.291 378 V C -0.182 175.912 176.094 0.000 0.000 1.020 378 V CA -0.148 62.153 62.300 0.000 0.000 0.848 378 V CB 1.233 33.055 31.823 -0.001 0.000 0.990 378 V HN 0.751 nan 8.190 nan 0.000 0.430 379 I N 5.276 125.847 120.570 0.001 0.000 2.312 379 I HA 0.382 4.552 4.170 -0.001 0.000 0.290 379 I C 0.204 176.322 176.117 0.001 0.000 1.008 379 I CA -0.329 60.972 61.300 0.002 0.000 1.226 379 I CB 1.082 39.084 38.000 0.003 0.000 1.371 379 I HN 0.474 nan 8.210 nan 0.000 0.468 380 K N 5.947 126.347 120.400 -0.000 0.000 2.293 380 K HA 0.449 4.769 4.320 -0.001 0.000 0.267 380 K C -0.929 175.670 176.600 -0.001 0.000 1.010 380 K CA -0.648 55.638 56.287 -0.001 0.000 0.875 380 K CB 2.037 34.536 32.500 -0.002 0.000 1.106 380 K HN 0.304 nan 8.250 nan 0.000 0.450 381 V N 3.000 122.914 119.914 -0.000 0.000 2.408 381 V HA 0.194 4.313 4.120 -0.001 0.000 0.267 381 V C 0.808 176.901 176.094 -0.001 0.000 1.047 381 V CA -0.580 61.720 62.300 -0.000 0.000 0.937 381 V CB 0.951 32.774 31.823 0.000 0.000 0.999 381 V HN 0.883 nan 8.190 nan 0.000 0.472 382 G N 3.431 112.231 108.800 -0.001 0.000 2.448 382 G HA2 0.753 4.712 3.960 -0.001 0.000 0.285 382 G HA3 0.753 4.712 3.960 -0.001 0.000 0.285 382 G C -0.338 174.561 174.900 -0.001 0.000 1.176 382 G CA 0.294 45.393 45.100 -0.001 0.000 0.852 382 G HN 1.218 nan 8.290 nan 0.000 0.530 383 A N -0.282 122.537 122.820 -0.002 0.000 2.540 383 A HA 0.775 5.094 4.320 -0.001 0.000 0.291 383 A C 0.701 178.284 177.584 -0.002 0.000 1.083 383 A CA 0.366 52.402 52.037 -0.002 0.000 0.650 383 A CB 0.441 19.439 19.000 -0.002 0.000 1.292 383 A HN 1.756 nan 8.150 nan 0.000 0.435 384 A N -0.552 122.267 122.820 -0.002 0.000 1.935 384 A HA 0.461 4.780 4.320 -0.001 0.000 0.214 384 A C 1.197 178.779 177.584 -0.002 0.000 1.178 384 A CA 2.199 54.235 52.037 -0.002 0.000 0.640 384 A CB -0.468 18.531 19.000 -0.002 0.000 0.825 384 A HN 2.065 nan 8.150 nan 0.000 0.447 385 T N -4.393 110.160 114.554 -0.002 0.000 2.906 385 T HA 0.469 4.818 4.350 -0.001 0.000 0.295 385 T C 0.464 175.162 174.700 -0.003 0.000 1.075 385 T CA 0.059 62.157 62.100 -0.003 0.000 1.005 385 T CB 1.904 70.771 68.868 -0.003 0.000 1.136 385 T HN 0.240 nan 8.240 nan 0.000 0.498 386 E N 0.248 120.446 120.200 -0.003 0.000 2.114 386 E HA -0.192 4.157 4.350 -0.001 0.000 0.199 386 E C 1.829 178.427 176.600 -0.003 0.000 1.008 386 E CA 1.926 58.325 56.400 -0.003 0.000 0.810 386 E CB -0.284 29.414 29.700 -0.003 0.000 0.739 386 E HN 0.562 nan 8.360 nan 0.000 0.456 387 V N 0.792 120.704 119.914 -0.003 0.000 2.295 387 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 387 V C 2.138 178.230 176.094 -0.003 0.000 1.049 387 V CA 2.235 64.533 62.300 -0.003 0.000 1.024 387 V CB -0.610 31.211 31.823 -0.003 0.000 0.648 387 V HN 0.264 nan 8.190 nan 0.000 0.447 388 E N -0.656 119.542 120.200 -0.003 0.000 2.204 388 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 388 E C 2.134 178.732 176.600 -0.003 0.000 0.989 388 E CA 1.047 57.445 56.400 -0.003 0.000 0.824 388 E CB -0.114 29.584 29.700 -0.003 0.000 0.756 388 E HN 0.470 nan 8.360 nan 0.000 0.477 389 M N 0.636 120.234 119.600 -0.003 0.000 2.160 389 M HA -0.118 4.361 4.480 -0.001 0.000 0.264 389 M C 1.564 177.862 176.300 -0.003 0.000 1.073 389 M CA 1.259 56.558 55.300 -0.002 0.000 1.142 389 M CB 0.041 32.639 32.600 -0.003 0.000 1.358 389 M HN -0.118 nan 8.290 nan 0.000 0.422 390 K N 0.488 120.887 120.400 -0.003 0.000 2.152 390 K HA -0.195 4.124 4.320 -0.001 0.000 0.206 390 K C 1.807 178.405 176.600 -0.004 0.000 1.048 390 K CA 1.346 57.631 56.287 -0.003 0.000 0.933 390 K CB -0.664 31.834 32.500 -0.004 0.000 0.721 390 K HN 0.568 nan 8.250 nan 0.000 0.447 391 E N 1.298 121.495 120.200 -0.004 0.000 2.028 391 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 391 E C 2.120 178.718 176.600 -0.003 0.000 0.988 391 E CA 1.091 57.488 56.400 -0.004 0.000 0.799 391 E CB 0.097 29.794 29.700 -0.004 0.000 0.755 391 E HN 0.193 nan 8.360 nan 0.000 0.447 392 K N 1.018 121.417 120.400 -0.002 0.000 2.057 392 K HA -0.203 4.117 4.320 -0.001 0.000 0.207 392 K C 2.303 178.903 176.600 -0.000 0.000 1.049 392 K CA 1.470 57.756 56.287 -0.001 0.000 0.931 392 K CB -0.073 32.426 32.500 -0.001 0.000 0.714 392 K HN -0.068 nan 8.250 nan 0.000 0.440 393 K N 0.207 120.607 120.400 -0.000 0.000 2.044 393 K HA -0.208 4.112 4.320 -0.001 0.000 0.210 393 K C 1.967 178.568 176.600 0.001 0.000 1.049 393 K CA 1.584 57.872 56.287 0.001 0.000 0.927 393 K CB -0.255 32.245 32.500 -0.001 0.000 0.713 393 K HN 0.242 nan 8.250 nan 0.000 0.443 394 A N 1.305 124.124 122.820 -0.002 0.000 1.908 394 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 394 A C 2.143 179.726 177.584 -0.002 0.000 1.181 394 A CA 1.509 53.543 52.037 -0.004 0.000 0.627 394 A CB -0.506 18.489 19.000 -0.008 0.000 0.818 394 A HN 0.345 nan 8.150 nan 0.000 0.445 395 R N -0.768 119.732 120.500 -0.001 0.000 2.081 395 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 395 R C 2.078 178.383 176.300 0.008 0.000 1.131 395 R CA 1.568 57.669 56.100 0.002 0.000 0.960 395 R CB -0.480 29.821 30.300 0.001 0.000 0.856 395 R HN 0.408 nan 8.270 nan 0.000 0.436 396 V N 0.932 120.851 119.914 0.008 0.000 2.343 396 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 396 V C 1.950 178.057 176.094 0.021 0.000 1.051 396 V CA 1.813 64.121 62.300 0.013 0.000 1.036 396 V CB -0.416 31.412 31.823 0.009 0.000 0.654 396 V HN 0.358 nan 8.190 nan 0.000 0.451 397 E N -0.097 120.114 120.200 0.019 0.000 2.058 397 E HA -0.248 4.101 4.350 -0.001 0.000 0.194 397 E C 2.064 178.693 176.600 0.048 0.000 0.997 397 E CA 1.659 58.077 56.400 0.030 0.000 0.801 397 E CB -0.178 29.530 29.700 0.014 0.000 0.746 397 E HN 0.586 nan 8.360 nan 0.000 0.450 398 D N -0.033 120.383 120.400 0.026 0.000 2.097 398 D HA -0.144 4.495 4.640 -0.001 0.000 0.195 398 D C 1.914 178.255 176.300 0.068 0.000 0.989 398 D CA 1.336 55.354 54.000 0.030 0.000 0.827 398 D CB -0.250 40.551 40.800 0.001 0.000 0.966 398 D HN 0.175 nan 8.370 nan 0.000 0.456 399 A N 0.923 123.770 122.820 0.046 0.000 1.902 399 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 399 A C 2.185 179.799 177.584 0.051 0.000 1.181 399 A CA 1.075 53.137 52.037 0.042 0.000 0.623 399 A CB -0.721 18.294 19.000 0.024 0.000 0.818 399 A HN 0.241 nan 8.150 nan 0.000 0.443 400 L N -0.661 120.595 121.223 0.054 0.000 1.994 400 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 400 L C 2.409 179.314 176.870 0.060 0.000 1.071 400 L CA 2.765 57.633 54.840 0.046 0.000 0.745 400 L CB -0.939 41.146 42.059 0.044 0.000 0.892 400 L HN 0.622 nan 8.230 nan 0.000 0.431 401 H N -0.227 118.843 119.070 0.000 0.000 2.319 401 H HA -0.200 4.355 4.556 -0.001 0.000 0.297 401 H C 1.932 177.262 175.328 0.003 0.000 1.097 401 H CA 2.004 58.053 56.048 0.001 0.000 1.285 401 H CB 0.040 29.803 29.762 0.001 0.000 1.368 401 H HN 0.505 nan 8.280 nan 0.000 0.495 402 A N -0.187 122.723 122.820 0.150 0.000 1.933 402 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 402 A C 2.679 180.268 177.584 0.009 0.000 1.175 402 A CA 2.101 54.187 52.037 0.082 0.000 0.628 402 A CB -0.923 18.126 19.000 0.081 0.000 0.814 402 A HN 0.537 nan 8.150 nan 0.000 0.444 403 T N -0.758 113.798 114.554 0.004 0.000 2.821 403 T HA -0.100 4.249 4.350 -0.001 0.000 0.267 403 T C 2.159 176.841 174.700 -0.030 0.000 1.046 403 T CA 1.203 63.299 62.100 -0.007 0.000 1.139 403 T CB -0.226 68.642 68.868 -0.000 0.000 0.871 403 T HN 0.316 nan 8.240 nan 0.000 0.454 404 R N 1.760 122.225 120.500 -0.058 0.000 2.083 404 R HA 0.049 4.388 4.340 -0.001 0.000 0.237 404 R C 2.579 178.826 176.300 -0.088 0.000 1.137 404 R CA 1.950 58.001 56.100 -0.082 0.000 0.951 404 R CB -1.211 29.009 30.300 -0.133 0.000 0.851 404 R HN 0.405 nan 8.270 nan 0.000 0.434 405 A N 0.557 123.305 122.820 -0.120 0.000 1.883 405 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 405 A C 2.413 179.976 177.584 -0.036 0.000 1.186 405 A CA 2.400 54.388 52.037 -0.082 0.000 0.624 405 A CB -0.967 17.991 19.000 -0.069 0.000 0.822 405 A HN 0.464 nan 8.150 nan 0.000 0.444 406 A N -0.799 122.007 122.820 -0.023 0.000 1.908 406 A HA -0.045 4.275 4.320 -0.001 0.000 0.218 406 A C 2.241 179.819 177.584 -0.011 0.000 1.181 406 A CA 1.909 53.940 52.037 -0.009 0.000 0.627 406 A CB -0.949 18.049 19.000 -0.003 0.000 0.818 406 A HN 0.439 nan 8.150 nan 0.000 0.445 407 V N -0.018 119.886 119.914 -0.017 0.000 2.427 407 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 407 V C 2.389 178.475 176.094 -0.013 0.000 1.051 407 V CA 2.246 64.538 62.300 -0.014 0.000 1.048 407 V CB -0.756 31.057 31.823 -0.017 0.000 0.666 407 V HN 0.657 nan 8.190 nan 0.000 0.456 408 E N -0.159 120.030 120.200 -0.018 0.000 2.077 408 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 408 E C 1.591 178.187 176.600 -0.007 0.000 0.989 408 E CA 1.471 57.863 56.400 -0.014 0.000 0.800 408 E CB 0.009 29.698 29.700 -0.019 0.000 0.746 408 E HN 0.666 nan 8.360 nan 0.000 0.452 409 E N -0.978 119.219 120.200 -0.006 0.000 2.702 409 E HA 0.216 4.565 4.350 -0.001 0.000 0.225 409 E C 0.244 176.845 176.600 0.001 0.000 0.942 409 E CA 0.109 56.509 56.400 -0.001 0.000 1.210 409 E CB 1.635 31.335 29.700 0.000 0.000 1.143 409 E HN 0.225 nan 8.360 nan 0.000 0.544 410 G N 1.394 110.194 108.800 0.001 0.000 2.693 410 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.226 410 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.226 410 G C -0.204 174.700 174.900 0.006 0.000 1.354 410 G CA -0.382 44.720 45.100 0.003 0.000 0.873 410 G HN 0.496 nan 8.290 nan 0.000 0.562 411 V N -2.745 117.174 119.914 0.009 0.000 3.040 411 V HA 0.977 5.096 4.120 -0.001 0.000 0.312 411 V C 0.611 176.713 176.094 0.013 0.000 1.115 411 V CA 0.048 62.355 62.300 0.011 0.000 0.998 411 V CB 1.250 33.080 31.823 0.011 0.000 1.042 411 V HN 2.415 nan 8.190 nan 0.000 0.433 412 V N -0.904 119.019 119.914 0.016 0.000 3.167 412 V HA 1.027 5.146 4.120 -0.001 0.000 0.310 412 V C 0.438 176.543 176.094 0.019 0.000 1.207 412 V CA -0.682 61.629 62.300 0.018 0.000 1.059 412 V CB 1.258 33.092 31.823 0.019 0.000 1.079 412 V HN 1.955 nan 8.190 nan 0.000 0.446 413 A N 0.512 123.345 122.820 0.023 0.000 2.462 413 A HA 0.704 5.024 4.320 -0.001 0.000 0.243 413 A C 0.800 178.395 177.584 0.019 0.000 1.076 413 A CA 0.568 52.619 52.037 0.022 0.000 0.773 413 A CB -0.230 18.788 19.000 0.031 0.000 1.010 413 A HN 1.932 nan 8.150 nan 0.000 0.493 414 G N 0.007 108.814 108.800 0.012 0.000 2.509 414 G HA2 0.520 4.480 3.960 -0.001 0.000 0.269 414 G HA3 0.520 4.480 3.960 -0.001 0.000 0.269 414 G C 1.076 175.982 174.900 0.010 0.000 1.416 414 G CA -0.060 45.046 45.100 0.010 0.000 1.052 414 G HN 2.242 nan 8.290 nan 0.000 0.542 415 G N -2.038 106.767 108.800 0.009 0.000 2.225 415 G HA2 0.212 4.172 3.960 -0.001 0.000 0.267 415 G HA3 0.212 4.172 3.960 -0.001 0.000 0.267 415 G C 1.501 176.418 174.900 0.028 0.000 1.024 415 G CA 1.205 46.315 45.100 0.017 0.000 0.784 415 G HN 2.474 nan 8.290 nan 0.000 0.507 416 G N -2.442 106.373 108.800 0.025 0.000 2.168 416 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.263 416 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.263 416 G C 1.873 176.791 174.900 0.030 0.000 0.977 416 G CA 1.877 46.993 45.100 0.026 0.000 0.659 416 G HN 2.188 nan 8.290 nan 0.000 0.533 417 V N -0.583 119.350 119.914 0.032 0.000 2.548 417 V HA 0.325 4.444 4.120 -0.001 0.000 0.249 417 V C 2.809 178.927 176.094 0.039 0.000 1.055 417 V CA 2.235 64.559 62.300 0.040 0.000 1.065 417 V CB -0.542 31.308 31.823 0.044 0.000 0.681 417 V HN 1.408 nan 8.190 nan 0.000 0.462 418 A N 0.602 123.442 122.820 0.033 0.000 1.883 418 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 418 A C 2.221 179.821 177.584 0.027 0.000 1.186 418 A CA 2.394 54.449 52.037 0.030 0.000 0.624 418 A CB -0.783 18.232 19.000 0.025 0.000 0.822 418 A HN 0.620 nan 8.150 nan 0.000 0.444 419 L N -0.987 120.251 121.223 0.025 0.000 2.141 419 L HA -0.086 4.254 4.340 -0.001 0.000 0.209 419 L C 2.451 179.335 176.870 0.024 0.000 1.094 419 L CA 0.906 55.760 54.840 0.022 0.000 0.763 419 L CB -0.306 41.765 42.059 0.021 0.000 0.908 419 L HN 0.392 nan 8.230 nan 0.000 0.437 420 I N -0.886 119.701 120.570 0.029 0.000 2.439 420 I HA -0.200 3.970 4.170 -0.001 0.000 0.251 420 I C 2.634 178.772 176.117 0.036 0.000 1.139 420 I CA 0.608 61.927 61.300 0.032 0.000 1.438 420 I CB -0.076 37.947 38.000 0.039 0.000 1.085 420 I HN 0.242 nan 8.210 nan 0.000 0.427 421 R N 0.125 120.648 120.500 0.039 0.000 2.066 421 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 421 R C 2.224 178.541 176.300 0.028 0.000 1.131 421 R CA 1.030 57.154 56.100 0.039 0.000 0.955 421 R CB -1.022 29.304 30.300 0.043 0.000 0.851 421 R HN 0.228 nan 8.270 nan 0.000 0.432 422 V N 1.702 121.630 119.914 0.024 0.000 2.324 422 V HA -0.278 3.841 4.120 -0.001 0.000 0.250 422 V C 2.585 178.689 176.094 0.016 0.000 1.060 422 V CA 1.983 64.294 62.300 0.018 0.000 1.042 422 V CB -0.955 30.877 31.823 0.015 0.000 0.650 422 V HN 0.335 nan 8.190 nan 0.000 0.450 423 A N 0.786 123.616 122.820 0.017 0.000 1.908 423 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 423 A C 2.537 180.130 177.584 0.015 0.000 1.181 423 A CA 2.597 54.643 52.037 0.015 0.000 0.627 423 A CB -0.844 18.165 19.000 0.016 0.000 0.818 423 A HN 0.722 nan 8.150 nan 0.000 0.445 424 S N -0.282 115.428 115.700 0.018 0.000 2.423 424 S HA -0.095 4.374 4.470 -0.001 0.000 0.231 424 S C 1.627 176.235 174.600 0.014 0.000 1.014 424 S CA 1.294 59.504 58.200 0.017 0.000 0.965 424 S CB -0.325 62.888 63.200 0.022 0.000 0.785 424 S HN 0.609 nan 8.310 nan 0.000 0.495 425 K N 0.755 121.163 120.400 0.014 0.000 2.504 425 K HA 0.237 4.557 4.320 -0.001 0.000 0.195 425 K C 0.970 177.575 176.600 0.008 0.000 1.036 425 K CA 0.464 56.758 56.287 0.011 0.000 0.984 425 K CB -0.182 32.325 32.500 0.011 0.000 0.788 425 K HN 0.435 nan 8.250 nan 0.000 0.488 426 L N -0.256 120.971 121.223 0.008 0.000 2.769 426 L HA 0.212 4.551 4.340 -0.001 0.000 0.240 426 L C 1.820 178.694 176.870 0.005 0.000 1.163 426 L CA -0.144 54.699 54.840 0.006 0.000 0.962 426 L CB 0.028 42.090 42.059 0.005 0.000 1.258 426 L HN 0.040 nan 8.230 nan 0.000 0.513 427 A N 0.183 123.007 122.820 0.006 0.000 2.084 427 A HA -0.219 4.101 4.320 -0.001 0.000 0.221 427 A C 1.633 179.220 177.584 0.004 0.000 1.161 427 A CA 1.835 53.875 52.037 0.005 0.000 0.653 427 A CB -0.232 18.772 19.000 0.005 0.000 0.802 427 A HN 0.338 nan 8.150 nan 0.000 0.457 428 D N -1.431 118.971 120.400 0.003 0.000 2.367 428 D HA 0.134 4.773 4.640 -0.001 0.000 0.207 428 D C 0.370 176.671 176.300 0.002 0.000 1.034 428 D CA -0.203 53.798 54.000 0.002 0.000 0.861 428 D CB -0.133 40.668 40.800 0.002 0.000 0.943 428 D HN 0.345 nan 8.370 nan 0.000 0.515 429 L N 1.925 123.149 121.223 0.002 0.000 2.540 429 L HA 0.073 4.413 4.340 -0.001 0.000 0.276 429 L C 0.042 176.913 176.870 0.001 0.000 1.212 429 L CA 0.673 55.514 54.840 0.002 0.000 0.893 429 L CB 0.102 42.162 42.059 0.002 0.000 1.138 429 L HN -0.218 nan 8.230 nan 0.000 0.491 430 R N 3.176 123.677 120.500 0.001 0.000 2.808 430 R HA 0.717 5.056 4.340 -0.001 0.000 0.272 430 R C -0.147 176.154 176.300 0.001 0.000 0.995 430 R CA -0.293 55.807 56.100 0.001 0.000 0.917 430 R CB 1.571 31.871 30.300 0.001 0.000 1.217 430 R HN 0.814 nan 8.270 nan 0.000 0.471 431 G N -0.233 108.567 108.800 0.001 0.000 3.119 431 G HA2 0.236 4.195 3.960 -0.001 0.000 0.206 431 G HA3 0.236 4.195 3.960 -0.001 0.000 0.206 431 G C -0.020 174.880 174.900 0.001 0.000 1.313 431 G CA -0.237 44.864 45.100 0.001 0.000 1.010 431 G HN 0.408 nan 8.290 nan 0.000 0.578 432 Q N -0.493 119.307 119.800 0.001 0.000 2.398 432 Q HA 0.144 4.483 4.340 -0.001 0.000 0.204 432 Q C 0.072 176.073 176.000 0.001 0.000 0.932 432 Q CA 0.745 56.548 55.803 0.001 0.000 0.916 432 Q CB 0.154 28.892 28.738 0.001 0.000 1.024 432 Q HN 0.607 nan 8.270 nan 0.000 0.504 433 N N -2.897 115.804 118.700 0.001 0.000 3.039 433 N HA 0.200 4.939 4.740 -0.001 0.000 0.257 433 N C 0.281 175.792 175.510 0.002 0.000 1.497 433 N CA 0.101 53.152 53.050 0.001 0.000 0.861 433 N CB 0.116 38.604 38.487 0.002 0.000 1.479 433 N HN -0.165 nan 8.380 nan 0.000 0.547 434 E N -0.261 119.940 120.200 0.002 0.000 2.077 434 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 434 E C 0.907 177.509 176.600 0.002 0.000 0.989 434 E CA 2.023 58.424 56.400 0.002 0.000 0.800 434 E CB -1.198 28.503 29.700 0.002 0.000 0.746 434 E HN 0.668 nan 8.360 nan 0.000 0.452 435 D N 0.154 120.555 120.400 0.003 0.000 2.182 435 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 435 D C 2.104 178.406 176.300 0.003 0.000 0.986 435 D CA 1.343 55.345 54.000 0.003 0.000 0.847 435 D CB -0.281 40.521 40.800 0.004 0.000 0.942 435 D HN 0.593 nan 8.370 nan 0.000 0.467 436 Q N -0.008 119.794 119.800 0.003 0.000 2.119 436 Q HA -0.071 4.269 4.340 -0.001 0.000 0.201 436 Q C 1.745 177.747 176.000 0.002 0.000 0.972 436 Q CA 0.638 56.443 55.803 0.003 0.000 0.847 436 Q CB 0.044 28.783 28.738 0.002 0.000 0.903 436 Q HN 0.253 nan 8.270 nan 0.000 0.433 437 N N 0.106 118.807 118.700 0.002 0.000 2.188 437 N HA -0.114 4.626 4.740 -0.001 0.000 0.184 437 N C 1.867 177.379 175.510 0.003 0.000 1.018 437 N CA 0.875 53.926 53.050 0.002 0.000 0.858 437 N CB -0.321 38.168 38.487 0.002 0.000 0.989 437 N HN 0.030 nan 8.380 nan 0.000 0.426 438 V N 1.051 120.966 119.914 0.003 0.000 2.343 438 V HA -0.171 3.949 4.120 -0.001 0.000 0.247 438 V C 2.437 178.534 176.094 0.004 0.000 1.051 438 V CA 2.068 64.370 62.300 0.004 0.000 1.036 438 V CB -1.249 30.576 31.823 0.004 0.000 0.654 438 V HN 0.347 nan 8.190 nan 0.000 0.451 439 G N -0.053 108.749 108.800 0.004 0.000 2.459 439 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 439 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 439 G C 1.577 176.479 174.900 0.004 0.000 1.183 439 G CA 1.227 46.329 45.100 0.004 0.000 0.776 439 G HN 0.487 nan 8.290 nan 0.000 0.552 440 I N 0.487 121.058 120.570 0.003 0.000 2.151 440 I HA -0.191 3.979 4.170 -0.001 0.000 0.243 440 I C 2.707 178.827 176.117 0.004 0.000 1.080 440 I CA 1.220 62.522 61.300 0.003 0.000 1.339 440 I CB -0.081 37.921 38.000 0.002 0.000 1.039 440 I HN -0.007 nan 8.210 nan 0.000 0.409 441 K N 0.379 120.782 120.400 0.004 0.000 2.147 441 K HA -0.061 4.259 4.320 -0.001 0.000 0.205 441 K C 2.132 178.735 176.600 0.006 0.000 1.049 441 K CA 0.952 57.242 56.287 0.005 0.000 0.936 441 K CB -0.733 31.770 32.500 0.004 0.000 0.722 441 K HN 0.217 nan 8.250 nan 0.000 0.446 442 V N 1.522 121.439 119.914 0.006 0.000 2.295 442 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 442 V C 2.409 178.507 176.094 0.007 0.000 1.049 442 V CA 2.084 64.388 62.300 0.007 0.000 1.024 442 V CB -0.707 31.121 31.823 0.007 0.000 0.648 442 V HN 0.301 nan 8.190 nan 0.000 0.447 443 A N -0.434 122.390 122.820 0.007 0.000 1.929 443 A HA -0.066 4.254 4.320 -0.001 0.000 0.216 443 A C 2.146 179.734 177.584 0.007 0.000 1.176 443 A CA 1.400 53.441 52.037 0.007 0.000 0.628 443 A CB -0.438 18.565 19.000 0.004 0.000 0.816 443 A HN 0.516 nan 8.150 nan 0.000 0.444 444 L N -1.298 119.929 121.223 0.007 0.000 2.141 444 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 444 L C 2.741 179.616 176.870 0.010 0.000 1.094 444 L CA 1.496 56.341 54.840 0.008 0.000 0.763 444 L CB -0.488 41.576 42.059 0.008 0.000 0.908 444 L HN 0.384 nan 8.230 nan 0.000 0.437 445 R N 0.336 120.841 120.500 0.009 0.000 2.090 445 R HA -0.075 4.265 4.340 -0.001 0.000 0.228 445 R C 2.421 178.727 176.300 0.010 0.000 1.110 445 R CA 1.123 57.228 56.100 0.009 0.000 0.973 445 R CB -0.166 30.139 30.300 0.007 0.000 0.869 445 R HN 0.325 nan 8.270 nan 0.000 0.440 446 A N 0.572 123.398 122.820 0.010 0.000 1.972 446 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 446 A C 2.060 179.652 177.584 0.013 0.000 1.169 446 A CA 1.338 53.382 52.037 0.012 0.000 0.635 446 A CB -0.375 18.632 19.000 0.012 0.000 0.810 446 A HN 0.311 nan 8.150 nan 0.000 0.446 447 M N -0.536 119.072 119.600 0.013 0.000 2.374 447 M HA -0.129 4.350 4.480 -0.001 0.000 0.264 447 M C 1.432 177.742 176.300 0.016 0.000 1.067 447 M CA 1.181 56.490 55.300 0.015 0.000 1.103 447 M CB -0.276 32.333 32.600 0.014 0.000 1.402 447 M HN 0.483 nan 8.290 nan 0.000 0.444 448 E N 0.228 120.436 120.200 0.015 0.000 2.482 448 E HA -0.012 4.338 4.350 -0.001 0.000 0.196 448 E C 1.949 178.556 176.600 0.012 0.000 1.047 448 E CA 0.533 56.942 56.400 0.014 0.000 0.869 448 E CB -0.026 29.681 29.700 0.012 0.000 0.836 448 E HN 0.487 nan 8.360 nan 0.000 0.520 449 A N 2.365 125.193 122.820 0.012 0.000 1.898 449 A HA -0.064 4.255 4.320 -0.001 0.000 0.216 449 A C -0.288 177.302 177.584 0.011 0.000 1.181 449 A CA 0.837 52.880 52.037 0.010 0.000 0.620 449 A CB -1.200 17.807 19.000 0.011 0.000 0.819 449 A HN 0.127 nan 8.150 nan 0.000 0.442 450 P HA -0.181 nan 4.420 nan 0.000 0.215 450 P C 1.768 179.077 177.300 0.016 0.000 1.157 450 P CA 0.979 64.089 63.100 0.016 0.000 0.874 450 P CB -0.123 31.589 31.700 0.020 0.000 0.790 451 L N -0.817 120.416 121.223 0.017 0.000 2.017 451 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 451 L C 2.506 179.378 176.870 0.004 0.000 1.073 451 L CA 1.741 56.591 54.840 0.017 0.000 0.745 451 L CB -0.299 41.771 42.059 0.018 0.000 0.894 451 L HN -0.202 nan 8.230 nan 0.000 0.432 452 R N -0.863 119.636 120.500 -0.002 0.000 2.096 452 R HA -0.212 4.127 4.340 -0.001 0.000 0.235 452 R C 2.296 178.592 176.300 -0.007 0.000 1.127 452 R CA 1.579 57.671 56.100 -0.013 0.000 0.968 452 R CB -0.297 29.998 30.300 -0.009 0.000 0.861 452 R HN 0.391 nan 8.270 nan 0.000 0.440 453 Q N 1.054 120.855 119.800 0.002 0.000 2.123 453 Q HA -0.036 4.304 4.340 -0.001 0.000 0.199 453 Q C 1.800 177.805 176.000 0.010 0.000 0.966 453 Q CA 1.335 57.141 55.803 0.005 0.000 0.845 453 Q CB -0.054 28.689 28.738 0.007 0.000 0.907 453 Q HN 0.322 nan 8.270 nan 0.000 0.439 454 I N -0.661 119.919 120.570 0.016 0.000 2.286 454 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 454 I C 1.890 178.032 176.117 0.042 0.000 1.115 454 I CA 0.836 62.154 61.300 0.029 0.000 1.392 454 I CB -0.130 37.893 38.000 0.038 0.000 1.065 454 I HN 0.077 nan 8.210 nan 0.000 0.418 455 V N 0.323 120.251 119.914 0.023 0.000 2.379 455 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 455 V C 2.320 178.415 176.094 0.001 0.000 1.044 455 V CA 1.348 63.649 62.300 0.003 0.000 1.036 455 V CB -0.436 31.325 31.823 -0.104 0.000 0.664 455 V HN 0.333 nan 8.190 nan 0.000 0.453 456 L N 0.893 122.113 121.223 -0.005 0.000 2.046 456 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 456 L C 2.216 179.090 176.870 0.006 0.000 1.077 456 L CA 1.943 56.781 54.840 -0.002 0.000 0.747 456 L CB -0.785 41.272 42.059 -0.004 0.000 0.896 456 L HN 0.332 nan 8.230 nan 0.000 0.432 457 N N -1.058 117.648 118.700 0.011 0.000 2.188 457 N HA -0.162 4.578 4.740 -0.001 0.000 0.184 457 N C 1.835 177.355 175.510 0.017 0.000 1.018 457 N CA 1.638 54.695 53.050 0.012 0.000 0.858 457 N CB -0.930 37.564 38.487 0.010 0.000 0.989 457 N HN 0.418 nan 8.380 nan 0.000 0.426 458 C N -0.130 119.190 119.300 0.032 0.000 2.409 458 C HA 0.044 4.503 4.460 -0.001 0.000 0.288 458 C C 1.840 176.849 174.990 0.031 0.000 1.395 458 C CA 0.638 59.681 59.018 0.041 0.000 1.792 458 C CB -1.538 26.259 27.740 0.095 0.000 1.847 458 C HN 0.670 nan 8.230 nan 0.000 0.534 459 G N 0.025 108.837 108.800 0.020 0.000 2.143 459 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.249 459 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.249 459 G C -0.163 174.745 174.900 0.014 0.000 0.981 459 G CA 0.349 45.458 45.100 0.015 0.000 0.665 459 G HN 0.528 nan 8.290 nan 0.000 0.528 460 E N 0.369 120.576 120.200 0.012 0.000 2.239 460 E HA 0.432 4.781 4.350 -0.001 0.000 0.261 460 E C 0.187 176.768 176.600 -0.033 0.000 1.016 460 E CA -0.673 55.723 56.400 -0.007 0.000 0.882 460 E CB 0.625 30.316 29.700 -0.015 0.000 1.190 460 E HN 0.519 nan 8.360 nan 0.000 0.415 461 E N 2.136 122.310 120.200 -0.044 0.000 2.052 461 E HA 0.100 4.450 4.350 -0.001 0.000 0.283 461 E C -1.626 174.934 176.600 -0.066 0.000 1.071 461 E CA -1.662 54.715 56.400 -0.039 0.000 0.851 461 E CB 0.785 30.472 29.700 -0.023 0.000 1.066 461 E HN 0.131 nan 8.360 nan 0.000 0.396 462 P HA -0.182 nan 4.420 nan 0.000 0.216 462 P C 1.215 178.486 177.300 -0.048 0.000 1.153 462 P CA 1.134 64.198 63.100 -0.060 0.000 0.858 462 P CB 0.318 31.998 31.700 -0.034 0.000 0.789 463 S N -0.987 114.695 115.700 -0.030 0.000 2.402 463 S HA -0.067 4.402 4.470 -0.001 0.000 0.229 463 S C 1.980 176.570 174.600 -0.017 0.000 1.021 463 S CA 0.862 59.051 58.200 -0.018 0.000 0.974 463 S CB -0.893 62.301 63.200 -0.010 0.000 0.800 463 S HN -0.058 nan 8.310 nan 0.000 0.484 464 V N 1.139 121.040 119.914 -0.022 0.000 2.283 464 V HA -0.102 4.018 4.120 -0.001 0.000 0.243 464 V C 2.293 178.386 176.094 -0.002 0.000 1.039 464 V CA 1.369 63.664 62.300 -0.008 0.000 1.016 464 V CB -0.641 31.179 31.823 -0.004 0.000 0.650 464 V HN 0.321 nan 8.190 nan 0.000 0.449 465 V N 0.566 120.448 119.914 -0.054 0.000 2.287 465 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 465 V C 2.733 178.828 176.094 0.001 0.000 1.053 465 V CA 2.162 64.418 62.300 -0.074 0.000 1.027 465 V CB -1.298 30.284 31.823 -0.402 0.000 0.646 465 V HN 0.562 nan 8.190 nan 0.000 0.447 466 A N 0.356 123.162 122.820 -0.022 0.000 1.908 466 A HA -0.318 4.001 4.320 -0.001 0.000 0.218 466 A C 2.082 179.685 177.584 0.032 0.000 1.181 466 A CA 2.502 54.544 52.037 0.009 0.000 0.627 466 A CB -0.888 18.111 19.000 -0.001 0.000 0.818 466 A HN 0.642 nan 8.150 nan 0.000 0.445 467 N N -0.933 117.780 118.700 0.021 0.000 2.142 467 N HA -0.106 4.633 4.740 -0.001 0.000 0.186 467 N C 1.639 177.168 175.510 0.032 0.000 1.023 467 N CA 2.112 55.174 53.050 0.021 0.000 0.852 467 N CB -0.280 38.212 38.487 0.008 0.000 0.998 467 N HN 0.379 nan 8.380 nan 0.000 0.424 468 T N -0.624 113.952 114.554 0.036 0.000 2.821 468 T HA -0.050 4.300 4.350 -0.001 0.000 0.267 468 T C 1.907 176.690 174.700 0.138 0.000 1.046 468 T CA 1.085 63.194 62.100 0.016 0.000 1.139 468 T CB -0.280 68.516 68.868 -0.120 0.000 0.871 468 T HN 0.016 nan 8.240 nan 0.000 0.454 469 V N 1.549 121.570 119.914 0.180 0.000 2.307 469 V HA -0.131 3.988 4.120 -0.001 0.000 0.245 469 V C 2.462 178.674 176.094 0.197 0.000 1.045 469 V CA 1.437 63.876 62.300 0.231 0.000 1.024 469 V CB -0.456 31.457 31.823 0.150 0.000 0.651 469 V HN 0.446 nan 8.190 nan 0.000 0.449 470 K N 0.397 120.865 120.400 0.113 0.000 2.152 470 K HA -0.134 4.186 4.320 -0.001 0.000 0.206 470 K C 2.086 178.725 176.600 0.066 0.000 1.048 470 K CA 1.447 57.781 56.287 0.079 0.000 0.933 470 K CB -0.554 31.974 32.500 0.047 0.000 0.721 470 K HN 0.572 nan 8.250 nan 0.000 0.447 471 G N 0.758 109.591 108.800 0.057 0.000 2.598 471 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.215 471 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.215 471 G C 0.724 175.613 174.900 -0.018 0.000 1.131 471 G CA 0.583 45.689 45.100 0.011 0.000 0.785 471 G HN 0.359 nan 8.290 nan 0.000 0.539 472 G N -0.239 108.584 108.800 0.039 0.000 2.695 472 G HA2 0.549 4.509 3.960 -0.001 0.000 0.213 472 G HA3 0.549 4.509 3.960 -0.001 0.000 0.213 472 G C -0.705 174.212 174.900 0.029 0.000 1.406 472 G CA 0.070 45.118 45.100 -0.087 0.000 1.049 472 G HN 0.406 nan 8.290 nan 0.000 0.573 473 D N -4.141 116.291 120.400 0.053 0.000 2.768 473 D HA 0.505 5.144 4.640 -0.001 0.000 0.327 473 D C 0.698 177.059 176.300 0.101 0.000 1.302 473 D CA 0.238 54.279 54.000 0.069 0.000 0.897 473 D CB 0.293 41.106 40.800 0.021 0.000 1.420 473 D HN 1.384 nan 8.370 nan 0.000 0.494 474 G N 0.329 109.173 108.800 0.073 0.000 2.672 474 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.324 474 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.324 474 G C 0.322 175.284 174.900 0.103 0.000 1.286 474 G CA 0.777 45.921 45.100 0.074 0.000 1.004 474 G HN 0.775 nan 8.290 nan 0.000 0.548 475 N N -0.373 118.395 118.700 0.113 0.000 2.268 475 N HA 0.254 4.993 4.740 -0.001 0.000 0.204 475 N C 0.123 175.727 175.510 0.157 0.000 1.124 475 N CA -0.222 52.891 53.050 0.105 0.000 0.838 475 N CB 0.287 38.820 38.487 0.076 0.000 0.994 475 N HN 0.460 nan 8.380 nan 0.000 0.489 476 Y N 1.528 121.863 120.300 0.059 0.000 2.632 476 Y HA 0.310 4.860 4.550 -0.001 0.000 0.329 476 Y C 0.682 176.656 175.900 0.122 0.000 1.174 476 Y CA 0.232 58.383 58.100 0.086 0.000 1.469 476 Y CB 0.118 38.620 38.460 0.071 0.000 1.242 476 Y HN -0.000 nan 8.280 nan 0.000 0.540 477 G N 4.029 112.666 108.800 -0.272 0.000 2.782 477 G HA2 0.254 4.213 3.960 -0.001 0.000 0.304 477 G HA3 0.254 4.213 3.960 -0.001 0.000 0.304 477 G C -2.405 172.401 174.900 -0.156 0.000 1.315 477 G CA -0.906 44.085 45.100 -0.181 0.000 0.791 477 G HN 0.494 nan 8.290 nan 0.000 0.519 478 Y N 1.691 121.844 120.300 -0.245 0.000 2.331 478 Y HA 0.538 5.088 4.550 -0.001 0.000 0.338 478 Y C 0.034 175.768 175.900 -0.278 0.000 0.976 478 Y CA -1.564 56.286 58.100 -0.416 0.000 1.137 478 Y CB 1.315 39.528 38.460 -0.411 0.000 1.172 478 Y HN 0.415 nan 8.280 nan 0.000 0.478 479 N N 4.778 123.100 118.700 -0.629 0.000 2.415 479 N HA 0.162 4.901 4.740 -0.001 0.000 0.246 479 N C 0.280 175.370 175.510 -0.700 0.000 1.078 479 N CA 0.555 53.312 53.050 -0.487 0.000 0.942 479 N CB 1.337 39.619 38.487 -0.342 0.000 1.140 479 N HN 0.873 nan 8.380 nan 0.000 0.501 480 A N 3.700 126.247 122.820 -0.454 0.000 2.067 480 A HA 0.103 4.423 4.320 -0.001 0.000 0.217 480 A C 2.010 179.457 177.584 -0.228 0.000 1.156 480 A CA 1.140 52.968 52.037 -0.349 0.000 0.683 480 A CB -0.336 18.626 19.000 -0.064 0.000 0.808 480 A HN 0.710 nan 8.150 nan 0.000 0.455 481 A N -0.027 122.679 122.820 -0.191 0.000 1.902 481 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 481 A C 2.304 179.799 177.584 -0.148 0.000 1.181 481 A CA 2.355 54.312 52.037 -0.134 0.000 0.623 481 A CB -0.907 18.033 19.000 -0.100 0.000 0.818 481 A HN 0.732 nan 8.150 nan 0.000 0.443 482 T N -3.952 110.479 114.554 -0.205 0.000 3.022 482 T HA 0.248 4.597 4.350 -0.001 0.000 0.250 482 T C 0.220 174.794 174.700 -0.210 0.000 1.060 482 T CA 0.599 62.598 62.100 -0.169 0.000 1.013 482 T CB -0.201 68.579 68.868 -0.146 0.000 0.982 482 T HN 0.555 nan 8.240 nan 0.000 0.508 483 E N 1.484 121.460 120.200 -0.373 0.000 2.340 483 E HA -0.125 4.225 4.350 -0.001 0.000 0.240 483 E C -0.975 175.396 176.600 -0.382 0.000 1.154 483 E CA 0.406 56.534 56.400 -0.453 0.000 0.717 483 E CB -1.062 28.572 29.700 -0.110 0.000 1.250 483 E HN 0.648 nan 8.360 nan 0.000 0.386 484 E N -0.058 119.832 120.200 -0.518 0.000 2.314 484 E HA 0.303 4.653 4.350 -0.001 0.000 0.272 484 E C -0.441 175.941 176.600 -0.363 0.000 0.884 484 E CA -0.801 55.442 56.400 -0.261 0.000 0.753 484 E CB 0.890 30.526 29.700 -0.107 0.000 1.213 484 E HN 0.060 nan 8.360 nan 0.000 0.432 485 Y N 0.410 120.712 120.300 0.003 0.000 2.426 485 Y HA 0.467 5.016 4.550 -0.000 0.000 0.344 485 Y C 1.423 177.289 175.900 -0.057 0.000 1.256 485 Y CA 0.961 59.016 58.100 -0.075 0.000 1.451 485 Y CB 0.772 39.208 38.460 -0.039 0.000 1.342 485 Y HN 0.682 nan 8.280 nan 0.000 0.600 486 G N 0.597 109.423 108.800 0.043 0.000 2.356 486 G HA2 0.042 4.001 3.960 -0.001 0.000 0.281 486 G HA3 0.042 4.001 3.960 -0.001 0.000 0.281 486 G C -1.908 173.047 174.900 0.093 0.000 1.246 486 G CA -1.096 44.074 45.100 0.118 0.000 0.889 486 G HN 0.549 nan 8.290 nan 0.000 0.486 487 N N 0.899 119.658 118.700 0.098 0.000 2.426 487 N HA 0.223 4.963 4.740 -0.001 0.000 0.257 487 N C 1.489 177.022 175.510 0.038 0.000 1.002 487 N CA -0.627 52.479 53.050 0.094 0.000 0.942 487 N CB 1.187 39.729 38.487 0.093 0.000 1.112 487 N HN 0.326 nan 8.380 nan 0.000 0.499 488 M N 3.207 122.822 119.600 0.026 0.000 2.159 488 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 488 M C 1.523 177.828 176.300 0.008 0.000 1.063 488 M CA 1.023 56.324 55.300 0.003 0.000 1.110 488 M CB -0.620 31.983 32.600 0.004 0.000 1.374 488 M HN 0.533 nan 8.290 nan 0.000 0.411 489 I N 0.661 121.244 120.570 0.021 0.000 2.252 489 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 489 I C 1.906 178.031 176.117 0.013 0.000 1.102 489 I CA 1.299 62.609 61.300 0.017 0.000 1.385 489 I CB -1.659 36.354 38.000 0.022 0.000 1.064 489 I HN 0.232 nan 8.210 nan 0.000 0.414 490 D N 0.521 120.932 120.400 0.019 0.000 2.178 490 D HA -0.129 4.510 4.640 -0.001 0.000 0.202 490 D C 2.165 178.468 176.300 0.006 0.000 0.974 490 D CA 1.067 55.076 54.000 0.015 0.000 0.841 490 D CB -0.153 40.661 40.800 0.024 0.000 0.953 490 D HN 0.343 nan 8.370 nan 0.000 0.478 491 M N -0.553 119.046 119.600 -0.001 0.000 2.618 491 M HA 0.144 4.623 4.480 -0.001 0.000 0.240 491 M C 0.987 177.276 176.300 -0.019 0.000 1.123 491 M CA 0.467 55.757 55.300 -0.017 0.000 1.060 491 M CB 0.420 32.998 32.600 -0.036 0.000 1.535 491 M HN 0.042 nan 8.290 nan 0.000 0.507 492 G N 2.123 110.918 108.800 -0.010 0.000 2.160 492 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.244 492 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.244 492 G C -0.060 174.833 174.900 -0.012 0.000 1.022 492 G CA -0.225 44.869 45.100 -0.009 0.000 0.741 492 G HN 0.533 nan 8.290 nan 0.000 0.508 493 I N 0.978 121.540 120.570 -0.014 0.000 2.347 493 I HA 0.480 4.649 4.170 -0.001 0.000 0.283 493 I C 0.341 176.456 176.117 -0.004 0.000 1.058 493 I CA -0.511 60.779 61.300 -0.016 0.000 1.202 493 I CB 0.669 38.650 38.000 -0.031 0.000 1.386 493 I HN -0.021 nan 8.210 nan 0.000 0.475 494 L N 4.934 126.158 121.223 0.001 0.000 2.381 494 L HA 0.628 4.967 4.340 -0.001 0.000 0.268 494 L C -1.069 175.808 176.870 0.012 0.000 0.997 494 L CA -0.889 53.956 54.840 0.008 0.000 0.818 494 L CB 2.334 44.398 42.059 0.009 0.000 1.310 494 L HN 0.352 nan 8.230 nan 0.000 0.416 495 D N 1.854 122.263 120.400 0.015 0.000 2.498 495 D HA 0.386 5.026 4.640 -0.001 0.000 0.247 495 D C -2.573 173.739 176.300 0.021 0.000 1.070 495 D CA -1.525 52.487 54.000 0.020 0.000 0.842 495 D CB 2.227 43.041 40.800 0.022 0.000 1.361 495 D HN 0.120 nan 8.370 nan 0.000 0.484 496 P HA 0.061 nan 4.420 nan 0.000 0.267 496 P C 0.832 178.144 177.300 0.020 0.000 1.209 496 P CA 0.007 63.118 63.100 0.019 0.000 0.763 496 P CB 0.539 32.251 31.700 0.021 0.000 0.816 497 T N 2.786 117.349 114.554 0.016 0.000 2.684 497 T HA -0.285 4.064 4.350 -0.001 0.000 0.267 497 T C 1.578 176.289 174.700 0.017 0.000 1.032 497 T CA 1.695 63.804 62.100 0.015 0.000 1.155 497 T CB -0.392 68.481 68.868 0.010 0.000 0.857 497 T HN 0.516 nan 8.240 nan 0.000 0.457 498 K N 0.795 121.205 120.400 0.017 0.000 2.147 498 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 498 K C 2.418 179.041 176.600 0.039 0.000 1.049 498 K CA 1.346 57.646 56.287 0.022 0.000 0.936 498 K CB -0.250 32.258 32.500 0.014 0.000 0.722 498 K HN 0.375 nan 8.250 nan 0.000 0.446 499 V N -0.285 119.655 119.914 0.043 0.000 2.488 499 V HA -0.111 4.008 4.120 -0.001 0.000 0.246 499 V C 1.662 177.788 176.094 0.054 0.000 1.046 499 V CA 2.116 64.451 62.300 0.058 0.000 1.053 499 V CB -0.349 31.513 31.823 0.065 0.000 0.679 499 V HN 0.300 nan 8.190 nan 0.000 0.458 500 T N 0.448 115.026 114.554 0.039 0.000 2.737 500 T HA -0.108 4.241 4.350 -0.001 0.000 0.265 500 T C 1.951 176.668 174.700 0.028 0.000 1.038 500 T CA 1.905 64.024 62.100 0.033 0.000 1.144 500 T CB -0.367 68.516 68.868 0.025 0.000 0.866 500 T HN 0.555 nan 8.240 nan 0.000 0.434 501 R N 1.050 121.561 120.500 0.019 0.000 2.094 501 R HA -0.144 4.196 4.340 -0.001 0.000 0.239 501 R C 2.542 178.840 176.300 -0.003 0.000 1.137 501 R CA 2.049 58.151 56.100 0.002 0.000 0.943 501 R CB -0.431 29.866 30.300 -0.006 0.000 0.850 501 R HN 0.283 nan 8.270 nan 0.000 0.433 502 S N 0.398 116.119 115.700 0.035 0.000 2.368 502 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 502 S C 2.018 176.717 174.600 0.164 0.000 1.030 502 S CA 1.121 59.377 58.200 0.092 0.000 0.999 502 S CB -0.263 63.066 63.200 0.216 0.000 0.844 502 S HN 0.581 nan 8.310 nan 0.000 0.459 503 A N 1.530 124.424 122.820 0.123 0.000 1.877 503 A HA -0.045 4.275 4.320 -0.001 0.000 0.216 503 A C 2.144 179.782 177.584 0.090 0.000 1.186 503 A CA 1.422 53.531 52.037 0.121 0.000 0.620 503 A CB -0.769 18.276 19.000 0.075 0.000 0.822 503 A HN 0.406 nan 8.150 nan 0.000 0.443 504 L N -0.212 121.036 121.223 0.043 0.000 2.046 504 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 504 L C 2.486 179.346 176.870 -0.016 0.000 1.077 504 L CA 2.283 57.132 54.840 0.015 0.000 0.747 504 L CB -0.593 41.467 42.059 0.002 0.000 0.896 504 L HN 0.509 nan 8.230 nan 0.000 0.432 505 Q N -2.158 117.593 119.800 -0.081 0.000 2.083 505 Q HA -0.171 4.168 4.340 -0.001 0.000 0.198 505 Q C 2.101 177.965 176.000 -0.226 0.000 0.969 505 Q CA 1.573 57.260 55.803 -0.194 0.000 0.838 505 Q CB -0.198 28.346 28.738 -0.324 0.000 0.900 505 Q HN 0.498 nan 8.270 nan 0.000 0.436 506 Y N 0.252 120.556 120.300 0.006 0.000 2.263 506 Y HA -0.089 4.460 4.550 -0.001 0.000 0.292 506 Y C 2.324 178.227 175.900 0.005 0.000 1.130 506 Y CA 0.780 58.883 58.100 0.005 0.000 1.179 506 Y CB -0.582 37.882 38.460 0.006 0.000 0.998 506 Y HN 0.117 nan 8.280 nan 0.000 0.532 507 A N 0.048 122.958 122.820 0.151 0.000 1.877 507 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 507 A C 2.459 180.080 177.584 0.061 0.000 1.186 507 A CA 2.081 54.173 52.037 0.092 0.000 0.620 507 A CB -1.225 17.814 19.000 0.066 0.000 0.822 507 A HN 0.371 nan 8.150 nan 0.000 0.443 508 A N -0.904 121.937 122.820 0.034 0.000 1.929 508 A HA -0.031 4.289 4.320 -0.001 0.000 0.216 508 A C 2.472 180.067 177.584 0.018 0.000 1.176 508 A CA 2.043 54.089 52.037 0.015 0.000 0.628 508 A CB -0.862 18.135 19.000 -0.005 0.000 0.816 508 A HN 0.647 nan 8.150 nan 0.000 0.444 509 S N -0.448 115.264 115.700 0.020 0.000 2.356 509 S HA -0.123 4.347 4.470 -0.001 0.000 0.223 509 S C 1.852 176.484 174.600 0.053 0.000 1.032 509 S CA 1.801 60.019 58.200 0.030 0.000 1.005 509 S CB -0.435 62.785 63.200 0.034 0.000 0.867 509 S HN 0.275 nan 8.310 nan 0.000 0.449 510 V N 1.945 121.904 119.914 0.075 0.000 2.591 510 V HA 0.055 4.174 4.120 -0.001 0.000 0.249 510 V C 2.881 178.999 176.094 0.041 0.000 1.053 510 V CA 1.379 63.716 62.300 0.061 0.000 1.068 510 V CB -1.184 30.678 31.823 0.065 0.000 0.689 510 V HN 0.614 nan 8.190 nan 0.000 0.462 511 A N 0.713 123.556 122.820 0.038 0.000 1.930 511 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 511 A C 2.400 179.997 177.584 0.023 0.000 1.175 511 A CA 1.736 53.790 52.037 0.028 0.000 0.627 511 A CB -1.056 17.959 19.000 0.025 0.000 0.815 511 A HN 0.506 nan 8.150 nan 0.000 0.443 512 G N -0.087 108.726 108.800 0.021 0.000 2.422 512 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.218 512 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.218 512 G C 1.535 176.447 174.900 0.019 0.000 1.146 512 G CA 1.025 46.135 45.100 0.017 0.000 0.769 512 G HN 0.438 nan 8.290 nan 0.000 0.547 513 L N -0.102 121.135 121.223 0.022 0.000 2.017 513 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 513 L C 3.141 180.023 176.870 0.021 0.000 1.073 513 L CA 1.131 55.984 54.840 0.022 0.000 0.745 513 L CB -0.388 41.686 42.059 0.025 0.000 0.894 513 L HN 0.213 nan 8.230 nan 0.000 0.432 514 M N -0.587 119.026 119.600 0.022 0.000 2.159 514 M HA -0.221 4.258 4.480 -0.001 0.000 0.263 514 M C 2.294 178.606 176.300 0.020 0.000 1.063 514 M CA 1.859 57.171 55.300 0.021 0.000 1.110 514 M CB -0.475 32.138 32.600 0.022 0.000 1.374 514 M HN 0.229 nan 8.290 nan 0.000 0.411 515 I N 0.100 120.681 120.570 0.019 0.000 2.546 515 I HA -0.177 3.993 4.170 -0.001 0.000 0.255 515 I C 1.786 177.914 176.117 0.018 0.000 1.163 515 I CA 1.247 62.557 61.300 0.017 0.000 1.457 515 I CB -0.225 37.784 38.000 0.015 0.000 1.092 515 I HN 0.375 nan 8.210 nan 0.000 0.434 516 T N -3.338 111.227 114.554 0.019 0.000 3.223 516 T HA 0.164 4.513 4.350 -0.001 0.000 0.259 516 T C 0.543 175.256 174.700 0.023 0.000 1.015 516 T CA -0.285 61.827 62.100 0.020 0.000 0.908 516 T CB -0.430 68.449 68.868 0.018 0.000 1.054 516 T HN -0.087 nan 8.240 nan 0.000 0.567 517 T N 2.428 116.996 114.554 0.022 0.000 2.780 517 T HA 0.292 4.642 4.350 -0.001 0.000 0.294 517 T C 0.652 175.368 174.700 0.027 0.000 0.949 517 T CA -0.427 61.686 62.100 0.021 0.000 1.074 517 T CB 1.416 70.295 68.868 0.018 0.000 0.910 517 T HN 0.078 nan 8.240 nan 0.000 0.501 518 E N 0.713 120.933 120.200 0.034 0.000 2.413 518 E HA 0.173 4.523 4.350 -0.001 0.000 0.203 518 E C 0.145 176.769 176.600 0.039 0.000 0.957 518 E CA 0.094 56.533 56.400 0.065 0.000 0.950 518 E CB 0.558 30.323 29.700 0.109 0.000 0.957 518 E HN 0.598 nan 8.360 nan 0.000 0.497 519 C N 0.374 119.650 119.300 -0.041 0.000 2.888 519 C HA 0.726 5.185 4.460 -0.001 0.000 0.308 519 C C -1.383 173.518 174.990 -0.149 0.000 1.213 519 C CA -0.660 58.225 59.018 -0.221 0.000 1.461 519 C CB 0.413 27.973 27.740 -0.301 0.000 1.934 519 C HN 0.143 nan 8.230 nan 0.000 0.474 520 M N 5.021 124.529 119.600 -0.154 0.000 2.326 520 M HA 0.597 5.077 4.480 -0.001 0.000 0.292 520 M C -1.176 175.190 176.300 0.111 0.000 1.081 520 M CA -0.544 54.784 55.300 0.046 0.000 0.919 520 M CB 2.123 34.873 32.600 0.249 0.000 1.634 520 M HN 0.381 nan 8.290 nan 0.000 0.451 521 V N 1.118 121.056 119.914 0.040 0.000 2.540 521 V HA 0.834 4.954 4.120 -0.001 0.000 0.302 521 V C -0.372 175.657 176.094 -0.108 0.000 1.035 521 V CA -0.424 61.878 62.300 0.003 0.000 0.873 521 V CB 2.098 33.903 31.823 -0.031 0.000 0.992 521 V HN 0.950 nan 8.190 nan 0.000 0.428 522 T N 1.576 116.018 114.554 -0.188 0.000 2.821 522 T HA 0.366 4.715 4.350 -0.001 0.000 0.306 522 T C -1.445 173.140 174.700 -0.191 0.000 1.313 522 T CA -0.595 61.328 62.100 -0.295 0.000 1.012 522 T CB 1.798 70.290 68.868 -0.626 0.000 1.298 522 T HN 0.660 nan 8.240 nan 0.000 0.502 523 D N 2.019 122.325 120.400 -0.156 0.000 2.472 523 D HA 0.207 4.847 4.640 -0.001 0.000 0.237 523 D C 0.173 176.421 176.300 -0.086 0.000 1.141 523 D CA 0.000 53.944 54.000 -0.094 0.000 0.875 523 D CB 0.309 41.061 40.800 -0.079 0.000 1.192 523 D HN 0.272 nan 8.370 nan 0.000 0.450 524 L N 4.314 125.518 121.223 -0.033 0.000 2.490 524 L HA 0.136 4.475 4.340 -0.001 0.000 0.274 524 L C -1.853 175.008 176.870 -0.016 0.000 1.201 524 L CA -1.134 53.703 54.840 -0.004 0.000 0.869 524 L CB -0.161 41.905 42.059 0.012 0.000 1.123 524 L HN 0.278 nan 8.230 nan 0.000 0.484 525 P HA 0.178 nan 4.420 nan 0.000 0.267 525 P C -0.803 176.495 177.300 -0.003 0.000 1.328 525 P CA 0.154 63.248 63.100 -0.009 0.000 0.990 525 P CB 0.285 31.991 31.700 0.010 0.000 1.168 526 K N 0.000 120.395 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 526 K CB 0.000 32.500 32.500 0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543