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 1kpo_1_V DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL 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 KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK 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 0.000 177.584 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.289 124.107 122.820 -0.003 0.000 2.547 3 A HA 0.392 4.712 4.320 -0.000 0.000 0.269 3 A C 0.446 178.026 177.584 -0.007 0.000 1.041 3 A CA 0.682 52.717 52.037 -0.004 0.000 0.855 3 A CB -0.705 18.290 19.000 -0.008 0.000 0.934 3 A HN 0.554 nan 8.150 nan 0.000 0.521 4 K N 1.849 122.250 120.400 0.001 0.000 2.109 4 K HA 0.408 4.728 4.320 -0.000 0.000 0.243 4 K C -0.546 176.054 176.600 0.000 0.000 1.006 4 K CA -0.632 55.658 56.287 0.005 0.000 0.917 4 K CB 0.849 33.362 32.500 0.022 0.000 1.081 4 K HN 0.728 nan 8.250 nan 0.000 0.468 5 D N 0.231 120.636 120.400 0.009 0.000 2.362 5 D HA 0.418 5.058 4.640 -0.000 0.000 0.247 5 D C -1.479 174.875 176.300 0.090 0.000 1.050 5 D CA -0.691 53.318 54.000 0.016 0.000 0.839 5 D CB 1.483 42.252 40.800 -0.050 0.000 1.283 5 D HN 0.047 nan 8.370 nan 0.000 0.477 6 V N 3.789 123.709 119.914 0.011 0.000 2.686 6 V HA 0.451 4.571 4.120 -0.000 0.000 0.306 6 V C -0.259 175.604 176.094 -0.385 0.000 1.065 6 V CA -0.753 61.464 62.300 -0.140 0.000 0.894 6 V CB 2.050 33.746 31.823 -0.212 0.000 1.004 6 V HN 0.456 nan 8.190 nan 0.000 0.424 7 K N 3.465 123.569 120.400 -0.493 0.000 2.375 7 K HA 0.820 5.140 4.320 -0.000 0.000 0.249 7 K C -1.727 174.518 176.600 -0.592 0.000 0.942 7 K CA -0.500 55.452 56.287 -0.559 0.000 0.806 7 K CB 2.382 34.682 32.500 -0.334 0.000 1.227 7 K HN 0.448 nan 8.250 nan 0.000 0.430 8 F N -0.254 119.650 119.950 -0.076 0.000 2.620 8 F HA 0.591 5.118 4.527 -0.000 0.000 0.320 8 F C 0.880 176.645 175.800 -0.058 0.000 1.069 8 F CA -0.434 57.525 58.000 -0.070 0.000 0.953 8 F CB 1.262 40.238 39.000 -0.039 0.000 1.322 8 F HN 0.769 nan 8.300 nan 0.000 0.479 9 G N 1.309 110.210 108.800 0.167 0.000 2.601 9 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.252 9 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.252 9 G C 0.790 175.709 174.900 0.031 0.000 1.294 9 G CA 0.396 45.540 45.100 0.075 0.000 0.912 9 G HN 0.830 nan 8.290 nan 0.000 0.574 10 N N 0.287 119.001 118.700 0.023 0.000 2.100 10 N HA -0.275 4.465 4.740 -0.000 0.000 0.199 10 N C 1.745 177.252 175.510 -0.004 0.000 1.017 10 N CA 2.290 55.345 53.050 0.009 0.000 0.890 10 N CB -0.395 38.100 38.487 0.013 0.000 1.080 10 N HN 0.697 nan 8.380 nan 0.000 0.525 11 D N 0.721 121.121 120.400 -0.001 0.000 2.303 11 D HA -0.269 4.371 4.640 -0.000 0.000 0.190 11 D C 1.817 178.074 176.300 -0.072 0.000 1.011 11 D CA 1.909 55.900 54.000 -0.014 0.000 0.860 11 D CB -0.783 40.012 40.800 -0.009 0.000 0.961 11 D HN 0.441 nan 8.370 nan 0.000 0.453 12 A N -0.057 122.690 122.820 -0.123 0.000 2.042 12 A HA -0.258 4.062 4.320 -0.000 0.000 0.222 12 A C 2.127 179.615 177.584 -0.160 0.000 1.167 12 A CA 1.943 53.840 52.037 -0.234 0.000 0.649 12 A CB -0.372 18.530 19.000 -0.163 0.000 0.809 12 A HN 0.186 nan 8.150 nan 0.000 0.457 13 R N -1.093 119.362 120.500 -0.075 0.000 2.062 13 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 13 R C 2.229 178.513 176.300 -0.026 0.000 1.161 13 R CA 1.102 57.175 56.100 -0.045 0.000 0.994 13 R CB -0.725 29.561 30.300 -0.023 0.000 0.888 13 R HN 0.503 nan 8.270 nan 0.000 0.442 14 V N 0.875 120.781 119.914 -0.013 0.000 2.428 14 V HA -0.295 3.825 4.120 -0.000 0.000 0.255 14 V C 1.872 177.973 176.094 0.011 0.000 1.080 14 V CA 1.692 63.993 62.300 0.002 0.000 1.083 14 V CB -0.526 31.302 31.823 0.009 0.000 0.665 14 V HN 0.145 nan 8.190 nan 0.000 0.461 15 K N -0.050 120.357 120.400 0.011 0.000 2.002 15 K HA -0.013 4.307 4.320 -0.000 0.000 0.209 15 K C 2.278 178.899 176.600 0.036 0.000 1.048 15 K CA 2.135 58.452 56.287 0.051 0.000 0.930 15 K CB -0.584 31.972 32.500 0.094 0.000 0.714 15 K HN 0.544 nan 8.250 nan 0.000 0.438 16 M N 0.519 120.119 119.600 -0.000 0.000 2.080 16 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 16 M C 2.224 178.529 176.300 0.009 0.000 1.068 16 M CA 1.268 56.569 55.300 0.002 0.000 1.109 16 M CB -0.433 32.155 32.600 -0.020 0.000 1.342 16 M HN 0.073 nan 8.290 nan 0.000 0.405 17 L N 0.730 121.955 121.223 0.005 0.000 1.943 17 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 17 L C 2.432 179.309 176.870 0.011 0.000 1.074 17 L CA 2.081 56.925 54.840 0.006 0.000 0.759 17 L CB -1.015 41.047 42.059 0.004 0.000 0.888 17 L HN 0.150 nan 8.230 nan 0.000 0.433 18 R N 0.340 120.849 120.500 0.015 0.000 2.154 18 R HA -0.137 4.203 4.340 -0.000 0.000 0.248 18 R C 2.095 178.407 176.300 0.019 0.000 1.155 18 R CA 1.799 57.909 56.100 0.017 0.000 0.979 18 R CB -1.535 28.778 30.300 0.021 0.000 0.869 18 R HN 0.625 nan 8.270 nan 0.000 0.452 19 G N -0.594 108.221 108.800 0.025 0.000 2.402 19 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 19 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 19 G C 1.416 176.326 174.900 0.016 0.000 1.162 19 G CA 1.022 46.138 45.100 0.026 0.000 0.777 19 G HN 0.370 nan 8.290 nan 0.000 0.539 20 V N -1.096 118.825 119.914 0.013 0.000 2.649 20 V HA 0.001 4.121 4.120 -0.000 0.000 0.248 20 V C 2.192 178.290 176.094 0.006 0.000 1.054 20 V CA 1.653 63.958 62.300 0.008 0.000 1.073 20 V CB -0.634 31.193 31.823 0.007 0.000 0.699 20 V HN 0.134 nan 8.190 nan 0.000 0.463 21 N N 1.040 119.744 118.700 0.006 0.000 2.247 21 N HA -0.137 4.603 4.740 -0.000 0.000 0.189 21 N C 1.625 177.136 175.510 0.003 0.000 1.009 21 N CA 1.709 54.762 53.050 0.004 0.000 0.872 21 N CB -0.440 38.050 38.487 0.005 0.000 0.980 21 N HN 0.531 nan 8.380 nan 0.000 0.436 22 V N 0.689 120.606 119.914 0.004 0.000 2.256 22 V HA -0.134 3.986 4.120 -0.000 0.000 0.240 22 V C 2.326 178.420 176.094 0.000 0.000 1.036 22 V CA 0.849 63.150 62.300 0.002 0.000 1.008 22 V CB -0.672 31.152 31.823 0.003 0.000 0.648 22 V HN 0.176 nan 8.190 nan 0.000 0.453 23 L N 0.774 121.998 121.223 0.001 0.000 2.103 23 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 23 L C 2.218 179.087 176.870 -0.002 0.000 1.080 23 L CA 2.572 57.411 54.840 -0.001 0.000 0.764 23 L CB -1.017 41.041 42.059 -0.001 0.000 0.890 23 L HN 0.294 nan 8.230 nan 0.000 0.435 24 A N -0.873 121.947 122.820 -0.000 0.000 1.824 24 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 24 A C 1.945 179.528 177.584 -0.002 0.000 1.244 24 A CA 1.371 53.407 52.037 -0.001 0.000 0.604 24 A CB -1.177 17.824 19.000 0.001 0.000 0.900 24 A HN 0.484 nan 8.150 nan 0.000 0.455 25 D N 0.207 120.606 120.400 -0.002 0.000 2.311 25 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 25 D C 1.534 177.832 176.300 -0.004 0.000 1.000 25 D CA 1.587 55.586 54.000 -0.003 0.000 0.910 25 D CB -0.261 40.538 40.800 -0.002 0.000 0.900 25 D HN 0.438 nan 8.370 nan 0.000 0.463 26 A N -0.482 122.336 122.820 -0.004 0.000 2.379 26 A HA 0.291 4.611 4.320 -0.000 0.000 0.236 26 A C 1.646 179.227 177.584 -0.005 0.000 1.272 26 A CA -0.072 51.962 52.037 -0.005 0.000 0.886 26 A CB 0.608 19.605 19.000 -0.005 0.000 0.962 26 A HN 0.128 nan 8.150 nan 0.000 0.504 27 V N -0.778 119.133 119.914 -0.005 0.000 3.245 27 V HA -0.024 4.096 4.120 -0.000 0.000 0.246 27 V C 1.622 177.714 176.094 -0.005 0.000 1.487 27 V CA 0.868 63.165 62.300 -0.005 0.000 1.154 27 V CB 0.029 31.849 31.823 -0.005 0.000 0.971 27 V HN 0.665 nan 8.190 nan 0.000 0.443 28 K N 2.298 122.695 120.400 -0.005 0.000 2.665 28 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 28 K C 1.151 177.747 176.600 -0.007 0.000 1.021 28 K CA 1.411 57.694 56.287 -0.005 0.000 1.066 28 K CB -0.142 32.355 32.500 -0.006 0.000 0.849 28 K HN 0.521 nan 8.250 nan 0.000 0.500 29 V N -2.967 116.943 119.914 -0.006 0.000 3.048 29 V HA -0.028 4.092 4.120 -0.000 0.000 0.241 29 V C 2.073 178.164 176.094 -0.006 0.000 1.129 29 V CA 0.695 62.992 62.300 -0.006 0.000 1.128 29 V CB -0.212 31.607 31.823 -0.006 0.000 0.849 29 V HN 0.433 nan 8.190 nan 0.000 0.475 30 T N -0.551 114.000 114.554 -0.005 0.000 3.308 30 T HA 0.132 4.482 4.350 -0.000 0.000 0.255 30 T C 0.449 175.147 174.700 -0.004 0.000 1.162 30 T CA 0.122 62.219 62.100 -0.004 0.000 1.031 30 T CB -0.917 67.948 68.868 -0.005 0.000 0.973 30 T HN 0.266 nan 8.240 nan 0.000 0.544 31 L N 2.291 123.511 121.223 -0.005 0.000 2.361 31 L HA 0.571 4.911 4.340 -0.000 0.000 0.278 31 L C 1.017 177.885 176.870 -0.003 0.000 1.113 31 L CA 1.484 56.322 54.840 -0.004 0.000 0.849 31 L CB -0.385 41.670 42.059 -0.006 0.000 1.155 31 L HN 0.654 nan 8.230 nan 0.000 0.452 32 G N 5.067 113.867 108.800 -0.000 0.000 2.542 32 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 32 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 32 G C -1.965 172.937 174.900 0.003 0.000 1.286 32 G CA -0.062 45.040 45.100 0.003 0.000 0.904 32 G HN 0.599 nan 8.290 nan 0.000 0.577 33 P HA 0.215 nan 4.420 nan 0.000 0.226 33 P C 0.896 178.199 177.300 0.004 0.000 1.160 33 P CA 0.829 63.932 63.100 0.004 0.000 0.837 33 P CB 0.227 31.930 31.700 0.005 0.000 0.860 34 K N 1.109 121.513 120.400 0.007 0.000 2.596 34 K HA 0.280 4.600 4.320 -0.000 0.000 0.211 34 K C 0.991 177.592 176.600 0.002 0.000 1.046 34 K CA -0.151 56.140 56.287 0.006 0.000 1.202 34 K CB -0.394 32.113 32.500 0.011 0.000 0.925 34 K HN 0.110 nan 8.250 nan 0.000 0.486 35 G N 1.332 110.132 108.800 0.000 0.000 2.483 35 G HA2 0.158 4.118 3.960 -0.000 0.000 0.248 35 G HA3 0.158 4.118 3.960 -0.000 0.000 0.248 35 G C 0.195 175.094 174.900 -0.002 0.000 1.248 35 G CA -0.457 44.642 45.100 -0.002 0.000 0.838 35 G HN 0.072 nan 8.290 nan 0.000 0.566 36 R N 0.737 121.235 120.500 -0.003 0.000 2.541 36 R HA 0.287 4.627 4.340 -0.000 0.000 0.254 36 R C -0.280 176.018 176.300 -0.003 0.000 1.130 36 R CA -0.925 55.173 56.100 -0.003 0.000 1.152 36 R CB 0.077 30.375 30.300 -0.003 0.000 1.222 36 R HN 0.578 nan 8.270 nan 0.000 0.579 37 N N -1.039 117.660 118.700 -0.003 0.000 2.443 37 N HA 0.376 5.116 4.740 -0.000 0.000 0.295 37 N C -1.133 174.375 175.510 -0.003 0.000 1.076 37 N CA -0.512 52.537 53.050 -0.003 0.000 0.919 37 N CB 1.774 40.260 38.487 -0.002 0.000 1.176 37 N HN 0.087 nan 8.380 nan 0.000 0.487 38 V N 2.041 121.953 119.914 -0.004 0.000 2.448 38 V HA 0.362 4.482 4.120 -0.000 0.000 0.295 38 V C -0.503 175.588 176.094 -0.004 0.000 1.025 38 V CA -0.831 61.466 62.300 -0.004 0.000 0.859 38 V CB 1.717 33.537 31.823 -0.005 0.000 0.988 38 V HN 0.383 nan 8.190 nan 0.000 0.431 39 V N 6.381 126.292 119.914 -0.005 0.000 2.364 39 V HA 0.417 4.537 4.120 -0.000 0.000 0.272 39 V C -0.036 176.054 176.094 -0.007 0.000 1.036 39 V CA -0.450 61.847 62.300 -0.005 0.000 0.880 39 V CB 1.137 32.958 31.823 -0.004 0.000 0.991 39 V HN 0.626 nan 8.190 nan 0.000 0.460 40 L N 3.664 124.883 121.223 -0.007 0.000 2.321 40 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 40 L C 0.222 177.085 176.870 -0.013 0.000 1.050 40 L CA -0.476 54.357 54.840 -0.010 0.000 0.893 40 L CB 0.738 42.791 42.059 -0.010 0.000 1.272 40 L HN 0.624 nan 8.230 nan 0.000 0.435 41 D N 3.179 123.570 120.400 -0.015 0.000 2.571 41 D HA -0.038 4.602 4.640 -0.000 0.000 0.231 41 D C -0.008 176.275 176.300 -0.028 0.000 1.133 41 D CA 1.080 55.068 54.000 -0.019 0.000 0.862 41 D CB 0.873 41.659 40.800 -0.023 0.000 1.179 41 D HN 0.337 nan 8.370 nan 0.000 0.474 42 K N 1.011 121.395 120.400 -0.027 0.000 2.258 42 K HA 0.361 4.681 4.320 -0.000 0.000 0.236 42 K C 1.034 177.592 176.600 -0.069 0.000 1.008 42 K CA -0.591 55.674 56.287 -0.038 0.000 0.869 42 K CB 1.232 33.725 32.500 -0.010 0.000 1.171 42 K HN 0.548 nan 8.250 nan 0.000 0.447 43 S N 0.828 116.446 115.700 -0.136 0.000 2.311 43 S HA 0.050 4.520 4.470 -0.000 0.000 0.209 43 S C 0.467 174.952 174.600 -0.192 0.000 1.029 43 S CA 0.467 58.499 58.200 -0.280 0.000 0.968 43 S CB -0.328 62.541 63.200 -0.551 0.000 0.946 43 S HN 0.366 nan 8.310 nan 0.000 0.450 44 F N 3.133 123.082 119.950 -0.002 0.000 2.404 44 F HA 0.706 5.233 4.527 -0.000 0.000 0.358 44 F C 1.237 177.036 175.800 -0.002 0.000 1.120 44 F CA 0.030 58.029 58.000 -0.002 0.000 1.144 44 F CB 0.593 39.591 39.000 -0.003 0.000 1.133 44 F HN 0.807 nan 8.300 nan 0.000 0.495 45 G N 1.363 110.275 108.800 0.186 0.000 2.352 45 G HA2 0.377 4.337 3.960 -0.000 0.000 0.324 45 G HA3 0.377 4.337 3.960 -0.000 0.000 0.324 45 G C -1.469 173.469 174.900 0.063 0.000 1.249 45 G CA -0.580 44.581 45.100 0.102 0.000 1.053 45 G HN 0.903 nan 8.290 nan 0.000 0.492 46 A N 0.522 123.367 122.820 0.043 0.000 2.303 46 A HA 0.870 5.190 4.320 -0.000 0.000 0.317 46 A C -1.610 175.985 177.584 0.019 0.000 1.149 46 A CA -0.752 51.301 52.037 0.027 0.000 0.822 46 A CB 0.180 19.193 19.000 0.021 0.000 1.131 46 A HN 0.671 nan 8.150 nan 0.000 0.493 47 P HA 0.146 nan 4.420 nan 0.000 0.270 47 P C -0.267 177.037 177.300 0.005 0.000 1.221 47 P CA 0.364 63.467 63.100 0.005 0.000 0.788 47 P CB 0.336 32.037 31.700 0.002 0.000 0.904 48 T N 1.714 116.269 114.554 0.001 0.000 2.779 48 T HA 0.542 4.892 4.350 -0.000 0.000 0.280 48 T C 0.060 174.760 174.700 0.000 0.000 0.987 48 T CA -0.332 61.769 62.100 0.002 0.000 0.966 48 T CB 0.188 69.057 68.868 0.001 0.000 0.933 48 T HN 0.154 nan 8.240 nan 0.000 0.442 49 I N 2.753 123.324 120.570 0.001 0.000 2.339 49 I HA 0.578 4.748 4.170 -0.000 0.000 0.290 49 I C 0.415 176.532 176.117 -0.000 0.000 0.994 49 I CA -0.481 60.819 61.300 -0.000 0.000 1.191 49 I CB 1.708 39.708 38.000 0.001 0.000 1.343 49 I HN 0.515 nan 8.210 nan 0.000 0.458 50 T N 4.212 118.765 114.554 -0.002 0.000 2.762 50 T HA 0.416 4.766 4.350 -0.000 0.000 0.301 50 T C -0.288 174.410 174.700 -0.003 0.000 1.299 50 T CA -0.557 61.542 62.100 -0.002 0.000 1.005 50 T CB 1.828 70.695 68.868 -0.003 0.000 1.377 50 T HN 0.680 nan 8.240 nan 0.000 0.504 51 K N 0.709 121.107 120.400 -0.003 0.000 2.533 51 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 51 K C -0.876 175.721 176.600 -0.005 0.000 1.096 51 K CA -0.253 56.032 56.287 -0.004 0.000 1.056 51 K CB 0.643 33.142 32.500 -0.003 0.000 0.890 51 K HN 0.374 nan 8.250 nan 0.000 0.552 52 D N 0.891 121.288 120.400 -0.006 0.000 2.453 52 D HA 0.088 4.728 4.640 -0.000 0.000 0.223 52 D C 1.312 177.607 176.300 -0.009 0.000 1.183 52 D CA -0.081 53.915 54.000 -0.008 0.000 0.933 52 D CB 0.722 41.517 40.800 -0.008 0.000 1.038 52 D HN 0.269 nan 8.370 nan 0.000 0.513 53 G N 2.158 110.953 108.800 -0.008 0.000 2.581 53 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.223 53 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.223 53 G C 1.431 176.324 174.900 -0.010 0.000 1.094 53 G CA 0.913 46.008 45.100 -0.008 0.000 0.736 53 G HN 0.474 nan 8.290 nan 0.000 0.588 54 V N 0.516 120.422 119.914 -0.013 0.000 2.283 54 V HA -0.130 3.990 4.120 -0.000 0.000 0.243 54 V C 2.990 179.076 176.094 -0.014 0.000 1.039 54 V CA 2.115 64.406 62.300 -0.015 0.000 1.016 54 V CB -0.614 31.197 31.823 -0.019 0.000 0.650 54 V HN 0.365 nan 8.190 nan 0.000 0.449 55 S N -0.032 115.661 115.700 -0.012 0.000 2.382 55 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 55 S C 1.976 176.570 174.600 -0.010 0.000 1.027 55 S CA 1.366 59.560 58.200 -0.010 0.000 0.991 55 S CB -0.190 63.005 63.200 -0.008 0.000 0.823 55 S HN 0.357 nan 8.310 nan 0.000 0.469 56 V N 1.574 121.482 119.914 -0.010 0.000 2.626 56 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 56 V C 2.430 178.518 176.094 -0.010 0.000 1.067 56 V CA 1.485 63.779 62.300 -0.010 0.000 1.081 56 V CB -1.036 30.782 31.823 -0.008 0.000 0.686 56 V HN 0.525 nan 8.190 nan 0.000 0.468 57 A N -0.248 122.565 122.820 -0.011 0.000 1.832 57 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 57 A C 2.346 179.922 177.584 -0.013 0.000 1.204 57 A CA 1.476 53.506 52.037 -0.012 0.000 0.606 57 A CB -0.614 18.378 19.000 -0.014 0.000 0.849 57 A HN 0.375 nan 8.150 nan 0.000 0.445 58 R N -0.185 120.306 120.500 -0.014 0.000 2.178 58 R HA -0.182 4.158 4.340 -0.000 0.000 0.257 58 R C 0.922 177.213 176.300 -0.015 0.000 1.163 58 R CA 1.680 57.771 56.100 -0.015 0.000 0.981 58 R CB -0.300 29.991 30.300 -0.015 0.000 0.878 58 R HN 0.502 nan 8.270 nan 0.000 0.454 59 E N 0.109 120.300 120.200 -0.014 0.000 2.416 59 E HA 0.053 4.403 4.350 -0.000 0.000 0.189 59 E C 0.111 176.703 176.600 -0.015 0.000 1.091 59 E CA 0.214 56.605 56.400 -0.015 0.000 0.889 59 E CB 0.148 29.839 29.700 -0.016 0.000 1.015 59 E HN 0.225 nan 8.360 nan 0.000 0.479 60 I N 1.033 121.595 120.570 -0.013 0.000 2.460 60 I HA 0.317 4.487 4.170 -0.000 0.000 0.298 60 I C 0.120 176.231 176.117 -0.010 0.000 0.989 60 I CA -0.378 60.916 61.300 -0.011 0.000 1.173 60 I CB 1.516 39.511 38.000 -0.008 0.000 1.338 60 I HN -0.022 nan 8.210 nan 0.000 0.456 61 E N 6.471 126.665 120.200 -0.009 0.000 2.879 61 E HA 0.267 4.617 4.350 -0.000 0.000 0.345 61 E C -1.910 174.685 176.600 -0.009 0.000 0.955 61 E CA -0.425 55.970 56.400 -0.009 0.000 0.801 61 E CB 1.159 30.851 29.700 -0.012 0.000 1.324 61 E HN 0.439 nan 8.360 nan 0.000 0.417 62 L N 2.774 123.994 121.223 -0.005 0.000 2.448 62 L HA 0.408 4.748 4.340 -0.000 0.000 0.258 62 L C 1.657 178.518 176.870 -0.015 0.000 1.104 62 L CA -0.448 54.388 54.840 -0.007 0.000 0.800 62 L CB 0.688 42.747 42.059 0.001 0.000 1.241 62 L HN 0.745 nan 8.230 nan 0.000 0.472 63 E N 0.341 120.529 120.200 -0.019 0.000 2.011 63 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 63 E C 0.439 177.012 176.600 -0.044 0.000 0.980 63 E CA 0.170 56.552 56.400 -0.031 0.000 0.814 63 E CB 0.119 29.801 29.700 -0.030 0.000 0.775 63 E HN 0.693 nan 8.360 nan 0.000 0.454 64 D N 1.320 121.695 120.400 -0.041 0.000 2.433 64 D HA -0.113 4.527 4.640 -0.000 0.000 0.274 64 D C 0.647 176.904 176.300 -0.071 0.000 1.344 64 D CA 0.177 54.138 54.000 -0.065 0.000 0.989 64 D CB 0.523 41.307 40.800 -0.026 0.000 1.116 64 D HN 0.125 nan 8.370 nan 0.000 0.533 65 K N 3.375 123.685 120.400 -0.150 0.000 2.184 65 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 65 K C 1.690 178.301 176.600 0.018 0.000 1.048 65 K CA 1.347 57.552 56.287 -0.136 0.000 0.931 65 K CB -0.364 31.974 32.500 -0.270 0.000 0.718 65 K HN 0.461 nan 8.250 nan 0.000 0.465 66 F N 1.370 121.307 119.950 -0.021 0.000 2.074 66 F HA -0.020 4.507 4.527 -0.000 0.000 0.290 66 F C 2.486 178.278 175.800 -0.015 0.000 1.118 66 F CA 0.586 58.575 58.000 -0.020 0.000 1.199 66 F CB -1.173 37.813 39.000 -0.025 0.000 1.012 66 F HN 0.084 nan 8.300 nan 0.000 0.472 67 E N 0.293 120.611 120.200 0.196 0.000 2.108 67 E HA -0.362 3.988 4.350 -0.000 0.000 0.203 67 E C 1.892 178.535 176.600 0.072 0.000 1.022 67 E CA 1.927 58.386 56.400 0.099 0.000 0.823 67 E CB -0.695 29.042 29.700 0.061 0.000 0.744 67 E HN 0.418 nan 8.360 nan 0.000 0.456 68 N N 0.487 119.225 118.700 0.062 0.000 2.069 68 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 68 N C 1.924 177.463 175.510 0.049 0.000 1.031 68 N CA 1.562 54.636 53.050 0.040 0.000 0.852 68 N CB -0.059 38.442 38.487 0.023 0.000 1.018 68 N HN 0.087 nan 8.380 nan 0.000 0.423 69 M N -0.367 119.283 119.600 0.083 0.000 2.082 69 M HA -0.147 4.333 4.480 -0.000 0.000 0.258 69 M C 2.195 178.522 176.300 0.044 0.000 1.069 69 M CA 1.917 57.263 55.300 0.076 0.000 1.102 69 M CB -0.844 31.831 32.600 0.126 0.000 1.336 69 M HN 0.425 nan 8.290 nan 0.000 0.404 70 G N -0.213 108.612 108.800 0.042 0.000 2.524 70 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 70 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 70 G C 1.529 176.439 174.900 0.016 0.000 1.239 70 G CA 1.048 46.161 45.100 0.021 0.000 0.798 70 G HN 0.566 nan 8.290 nan 0.000 0.557 71 A N -0.632 122.199 122.820 0.018 0.000 2.148 71 A HA -0.134 4.186 4.320 -0.000 0.000 0.222 71 A C 2.274 179.862 177.584 0.006 0.000 1.161 71 A CA 2.055 54.099 52.037 0.010 0.000 0.662 71 A CB -0.268 18.738 19.000 0.011 0.000 0.799 71 A HN 0.391 nan 8.150 nan 0.000 0.466 72 Q N -1.449 118.357 119.800 0.010 0.000 2.398 72 Q HA 0.140 4.480 4.340 -0.000 0.000 0.204 72 Q C 1.916 177.915 176.000 -0.002 0.000 0.932 72 Q CA 0.654 56.459 55.803 0.004 0.000 0.916 72 Q CB -0.003 28.741 28.738 0.009 0.000 1.024 72 Q HN 0.835 nan 8.270 nan 0.000 0.504 73 M N -0.744 118.856 119.600 0.000 0.000 2.142 73 M HA -0.084 4.396 4.480 -0.000 0.000 0.256 73 M C 2.223 178.515 176.300 -0.013 0.000 1.098 73 M CA 0.977 56.274 55.300 -0.005 0.000 1.151 73 M CB -0.754 31.846 32.600 0.000 0.000 1.299 73 M HN 0.039 nan 8.290 nan 0.000 0.431 74 V N 1.057 120.967 119.914 -0.006 0.000 2.439 74 V HA -0.327 3.793 4.120 -0.000 0.000 0.253 74 V C 2.186 178.270 176.094 -0.017 0.000 1.074 74 V CA 2.474 64.770 62.300 -0.007 0.000 1.076 74 V CB -0.706 31.118 31.823 0.001 0.000 0.664 74 V HN 0.549 nan 8.190 nan 0.000 0.461 75 K N -0.692 119.698 120.400 -0.017 0.000 2.097 75 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 75 K C 2.323 178.900 176.600 -0.038 0.000 1.049 75 K CA 1.753 58.026 56.287 -0.022 0.000 0.933 75 K CB -0.274 32.217 32.500 -0.016 0.000 0.717 75 K HN 0.571 nan 8.250 nan 0.000 0.442 76 E N 0.427 120.602 120.200 -0.041 0.000 2.152 76 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 76 E C 1.872 178.412 176.600 -0.099 0.000 0.983 76 E CA 0.598 56.964 56.400 -0.057 0.000 0.818 76 E CB 0.149 29.823 29.700 -0.043 0.000 0.758 76 E HN 0.181 nan 8.360 nan 0.000 0.467 77 V N 0.539 120.391 119.914 -0.103 0.000 2.379 77 V HA -0.104 4.016 4.120 -0.000 0.000 0.243 77 V C 2.300 178.249 176.094 -0.243 0.000 1.035 77 V CA 1.634 63.822 62.300 -0.186 0.000 1.035 77 V CB -0.309 31.450 31.823 -0.106 0.000 0.673 77 V HN 0.287 nan 8.190 nan 0.000 0.457 78 A N 0.588 123.339 122.820 -0.114 0.000 1.927 78 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 78 A C 2.529 180.051 177.584 -0.103 0.000 1.185 78 A CA 2.840 54.834 52.037 -0.070 0.000 0.639 78 A CB -1.214 17.771 19.000 -0.025 0.000 0.820 78 A HN 0.920 nan 8.150 nan 0.000 0.451 79 S N -0.170 115.466 115.700 -0.107 0.000 2.440 79 S HA -0.240 4.230 4.470 -0.000 0.000 0.240 79 S C 1.700 176.222 174.600 -0.129 0.000 1.014 79 S CA 1.745 59.889 58.200 -0.093 0.000 0.980 79 S CB -0.436 62.718 63.200 -0.078 0.000 0.775 79 S HN 0.664 nan 8.310 nan 0.000 0.499 80 K N 1.166 121.410 120.400 -0.259 0.000 2.155 80 K HA 0.203 4.523 4.320 -0.000 0.000 0.203 80 K C 2.584 179.105 176.600 -0.133 0.000 1.052 80 K CA 0.872 56.953 56.287 -0.343 0.000 0.948 80 K CB -0.474 31.518 32.500 -0.848 0.000 0.728 80 K HN 0.487 nan 8.250 nan 0.000 0.448 81 A N 1.917 124.715 122.820 -0.037 0.000 1.865 81 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 81 A C 1.932 179.574 177.584 0.095 0.000 1.191 81 A CA 2.080 54.236 52.037 0.199 0.000 0.623 81 A CB -0.812 18.299 19.000 0.185 0.000 0.826 81 A HN 0.303 nan 8.150 nan 0.000 0.444 82 N N 0.019 118.735 118.700 0.026 0.000 2.104 82 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 82 N C 1.232 176.741 175.510 -0.001 0.000 1.024 82 N CA 1.718 54.766 53.050 -0.004 0.000 0.853 82 N CB -0.213 38.256 38.487 -0.030 0.000 1.008 82 N HN 0.432 nan 8.380 nan 0.000 0.424 83 D N -0.533 119.870 120.400 0.005 0.000 2.178 83 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 83 D C 1.572 177.906 176.300 0.058 0.000 0.980 83 D CA 1.178 55.188 54.000 0.017 0.000 0.842 83 D CB -0.177 40.620 40.800 -0.005 0.000 0.948 83 D HN 0.432 nan 8.370 nan 0.000 0.472 84 A N 0.911 123.785 122.820 0.091 0.000 1.859 84 A HA 0.306 4.626 4.320 -0.000 0.000 0.212 84 A C 2.133 179.776 177.584 0.099 0.000 1.238 84 A CA 1.376 53.476 52.037 0.106 0.000 0.613 84 A CB -0.764 18.325 19.000 0.148 0.000 0.904 84 A HN 0.201 nan 8.150 nan 0.000 0.457 85 A N -1.694 121.181 122.820 0.092 0.000 1.861 85 A HA 0.398 4.718 4.320 -0.000 0.000 0.214 85 A C 1.828 179.467 177.584 0.091 0.000 1.322 85 A CA 2.190 54.276 52.037 0.082 0.000 0.601 85 A CB -0.890 18.148 19.000 0.062 0.000 0.966 85 A HN 1.659 nan 8.150 nan 0.000 0.471 86 G N -2.283 106.531 108.800 0.024 0.000 4.362 86 G HA2 0.327 4.287 3.960 -0.000 0.000 0.220 86 G HA3 0.327 4.287 3.960 -0.000 0.000 0.220 86 G C -0.379 174.479 174.900 -0.070 0.000 0.795 86 G CA 0.760 45.816 45.100 -0.073 0.000 0.920 86 G HN 0.797 nan 8.290 nan 0.000 0.715 87 D N -2.797 117.592 120.400 -0.018 0.000 2.970 87 D HA 0.513 5.153 4.640 -0.000 0.000 0.344 87 D C 1.210 177.517 176.300 0.012 0.000 1.365 87 D CA 1.126 55.120 54.000 -0.011 0.000 0.910 87 D CB 0.231 41.027 40.800 -0.006 0.000 1.445 87 D HN 1.203 nan 8.370 nan 0.000 0.532 88 G N -1.049 107.760 108.800 0.014 0.000 2.308 88 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.221 88 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.221 88 G C 1.379 176.295 174.900 0.027 0.000 1.032 88 G CA 1.218 46.334 45.100 0.027 0.000 0.623 88 G HN 1.263 nan 8.290 nan 0.000 0.506 89 T N -0.735 113.830 114.554 0.018 0.000 2.649 89 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 89 T C 2.231 176.935 174.700 0.007 0.000 1.036 89 T CA 3.140 65.246 62.100 0.009 0.000 1.157 89 T CB -1.193 67.670 68.868 -0.008 0.000 0.861 89 T HN 0.665 nan 8.240 nan 0.000 0.445 90 T N 1.480 116.036 114.554 0.003 0.000 2.833 90 T HA -0.068 4.281 4.350 -0.000 0.000 0.269 90 T C 2.222 176.926 174.700 0.007 0.000 1.054 90 T CA 1.785 63.886 62.100 0.002 0.000 1.135 90 T CB -0.819 68.049 68.868 -0.001 0.000 0.869 90 T HN 0.649 nan 8.240 nan 0.000 0.466 91 T N 2.102 116.664 114.554 0.012 0.000 2.732 91 T HA 0.102 4.452 4.350 -0.000 0.000 0.261 91 T C 2.505 177.218 174.700 0.022 0.000 1.040 91 T CA 0.911 63.020 62.100 0.015 0.000 1.145 91 T CB -0.748 68.131 68.868 0.018 0.000 0.866 91 T HN 0.402 nan 8.240 nan 0.000 0.427 92 A N 2.056 124.897 122.820 0.034 0.000 1.870 92 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 92 A C 2.557 180.159 177.584 0.031 0.000 1.224 92 A CA 2.699 54.764 52.037 0.047 0.000 0.650 92 A CB -1.719 17.321 19.000 0.066 0.000 0.836 92 A HN 0.488 nan 8.150 nan 0.000 0.454 93 T N -0.820 113.746 114.554 0.020 0.000 2.653 93 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 93 T C 1.821 176.526 174.700 0.010 0.000 1.035 93 T CA 1.866 63.973 62.100 0.011 0.000 1.154 93 T CB -0.733 68.137 68.868 0.004 0.000 0.862 93 T HN 0.436 nan 8.240 nan 0.000 0.441 94 V N 0.494 120.413 119.914 0.009 0.000 2.667 94 V HA 0.024 4.144 4.120 -0.000 0.000 0.252 94 V C 2.048 178.147 176.094 0.007 0.000 1.065 94 V CA 1.218 63.522 62.300 0.005 0.000 1.083 94 V CB -0.487 31.337 31.823 0.002 0.000 0.692 94 V HN 0.478 nan 8.190 nan 0.000 0.468 95 L N 0.070 121.300 121.223 0.013 0.000 2.007 95 L HA 0.029 4.369 4.340 -0.000 0.000 0.205 95 L C 2.885 179.764 176.870 0.015 0.000 1.073 95 L CA 1.558 56.406 54.840 0.014 0.000 0.744 95 L CB -0.938 41.134 42.059 0.021 0.000 0.898 95 L HN 0.390 nan 8.230 nan 0.000 0.435 96 A N -0.505 122.327 122.820 0.020 0.000 1.869 96 A HA -0.359 3.961 4.320 -0.000 0.000 0.218 96 A C 2.223 179.815 177.584 0.013 0.000 1.203 96 A CA 2.284 54.333 52.037 0.020 0.000 0.638 96 A CB -0.929 18.084 19.000 0.022 0.000 0.831 96 A HN 0.525 nan 8.150 nan 0.000 0.450 97 Q N -0.730 119.076 119.800 0.010 0.000 2.082 97 Q HA -0.291 4.049 4.340 -0.000 0.000 0.211 97 Q C 2.300 178.303 176.000 0.005 0.000 1.002 97 Q CA 2.385 58.191 55.803 0.006 0.000 0.868 97 Q CB -0.421 28.320 28.738 0.004 0.000 0.931 97 Q HN 0.652 nan 8.270 nan 0.000 0.414 98 A N 0.574 123.397 122.820 0.005 0.000 1.883 98 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 98 A C 1.999 179.585 177.584 0.004 0.000 1.186 98 A CA 1.739 53.778 52.037 0.003 0.000 0.624 98 A CB -0.718 18.284 19.000 0.003 0.000 0.822 98 A HN 0.483 nan 8.150 nan 0.000 0.444 99 I N -0.337 120.237 120.570 0.007 0.000 2.133 99 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 99 I C 2.325 178.446 176.117 0.006 0.000 1.074 99 I CA 1.397 62.701 61.300 0.007 0.000 1.342 99 I CB -0.525 37.481 38.000 0.010 0.000 1.053 99 I HN 0.267 nan 8.210 nan 0.000 0.404 100 I N 0.843 121.417 120.570 0.006 0.000 2.194 100 I HA -0.304 3.866 4.170 -0.000 0.000 0.246 100 I C 2.584 178.703 176.117 0.003 0.000 1.093 100 I CA 1.804 63.107 61.300 0.005 0.000 1.355 100 I CB -0.947 37.056 38.000 0.005 0.000 1.046 100 I HN 0.316 nan 8.210 nan 0.000 0.413 101 T N -0.074 114.482 114.554 0.003 0.000 2.788 101 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 101 T C 1.795 176.496 174.700 0.002 0.000 1.044 101 T CA 1.223 63.325 62.100 0.002 0.000 1.139 101 T CB -0.139 68.730 68.868 0.002 0.000 0.867 101 T HN 0.303 nan 8.240 nan 0.000 0.454 102 E N 0.366 120.567 120.200 0.002 0.000 2.250 102 E HA 0.133 4.483 4.350 -0.000 0.000 0.192 102 E C 2.438 179.039 176.600 0.002 0.000 0.986 102 E CA 0.485 56.886 56.400 0.001 0.000 0.849 102 E CB -0.502 29.199 29.700 0.001 0.000 0.797 102 E HN 0.529 nan 8.360 nan 0.000 0.482 103 G N 1.794 110.595 108.800 0.002 0.000 2.524 103 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 103 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 103 G C 1.641 176.541 174.900 0.001 0.000 1.239 103 G CA 0.538 45.639 45.100 0.002 0.000 0.798 103 G HN 0.188 nan 8.290 nan 0.000 0.557 104 L N 0.299 121.523 121.223 0.001 0.000 2.187 104 L HA -0.081 4.259 4.340 -0.000 0.000 0.213 104 L C 2.745 179.616 176.870 0.001 0.000 1.100 104 L CA 1.323 56.163 54.840 0.000 0.000 0.765 104 L CB -0.374 41.684 42.059 -0.000 0.000 0.904 104 L HN 0.249 nan 8.230 nan 0.000 0.437 105 K N 0.187 120.587 120.400 0.001 0.000 2.288 105 K HA -0.087 4.233 4.320 -0.000 0.000 0.201 105 K C 2.062 178.662 176.600 0.001 0.000 1.048 105 K CA 0.935 57.223 56.287 0.001 0.000 0.956 105 K CB 0.112 32.612 32.500 0.001 0.000 0.746 105 K HN 0.304 nan 8.250 nan 0.000 0.461 106 A N 0.142 122.962 122.820 0.001 0.000 1.862 106 A HA -0.014 4.306 4.320 -0.000 0.000 0.211 106 A C 2.089 179.673 177.584 -0.000 0.000 1.220 106 A CA 0.730 52.767 52.037 0.000 0.000 0.616 106 A CB -0.627 18.373 19.000 0.000 0.000 0.878 106 A HN 0.061 nan 8.150 nan 0.000 0.453 107 V N 0.535 120.449 119.914 -0.001 0.000 2.233 107 V HA -0.365 3.755 4.120 -0.000 0.000 0.252 107 V C 2.964 179.058 176.094 -0.001 0.000 1.063 107 V CA 2.379 64.679 62.300 -0.001 0.000 1.032 107 V CB -1.305 30.517 31.823 -0.002 0.000 0.645 107 V HN 0.608 nan 8.190 nan 0.000 0.446 108 A N -0.681 122.139 122.820 0.000 0.000 2.225 108 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 108 A C 2.134 179.719 177.584 0.001 0.000 1.164 108 A CA 1.568 53.606 52.037 0.002 0.000 0.710 108 A CB -0.518 18.484 19.000 0.003 0.000 0.780 108 A HN 0.655 nan 8.150 nan 0.000 0.473 109 A N -2.122 120.698 122.820 0.001 0.000 2.218 109 A HA 0.446 4.766 4.320 -0.000 0.000 0.209 109 A C 1.614 179.198 177.584 0.000 0.000 1.168 109 A CA 1.195 53.232 52.037 0.001 0.000 0.804 109 A CB -0.340 18.660 19.000 0.001 0.000 0.834 109 A HN 1.666 nan 8.150 nan 0.000 0.482 110 G N -1.996 106.804 108.800 -0.001 0.000 2.205 110 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.180 110 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.180 110 G C 0.082 174.980 174.900 -0.002 0.000 1.004 110 G CA 0.018 45.117 45.100 -0.002 0.000 0.670 110 G HN 0.279 nan 8.290 nan 0.000 0.496 111 M N 0.848 120.446 119.600 -0.002 0.000 2.359 111 M HA 0.366 4.846 4.480 -0.000 0.000 0.322 111 M C 0.542 176.840 176.300 -0.004 0.000 1.166 111 M CA -0.777 54.522 55.300 -0.003 0.000 1.067 111 M CB 0.802 33.401 32.600 -0.002 0.000 1.523 111 M HN 0.152 nan 8.290 nan 0.000 0.467 112 N N 1.756 120.453 118.700 -0.004 0.000 2.497 112 N HA 0.113 4.853 4.740 -0.000 0.000 0.268 112 N C -2.281 173.227 175.510 -0.005 0.000 1.171 112 N CA -1.210 51.836 53.050 -0.005 0.000 0.948 112 N CB 1.310 39.794 38.487 -0.006 0.000 1.069 112 N HN 0.254 nan 8.380 nan 0.000 0.460 113 P HA -0.028 nan 4.420 nan 0.000 0.214 113 P C 1.750 179.048 177.300 -0.004 0.000 1.162 113 P CA 1.100 64.198 63.100 -0.004 0.000 0.874 113 P CB 0.181 31.877 31.700 -0.006 0.000 0.784 114 M N -0.471 119.126 119.600 -0.005 0.000 2.260 114 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 114 M C 1.143 177.441 176.300 -0.003 0.000 1.066 114 M CA 1.671 56.969 55.300 -0.004 0.000 1.082 114 M CB -1.469 31.128 32.600 -0.006 0.000 1.388 114 M HN 0.009 nan 8.290 nan 0.000 0.419 115 D N -0.149 120.249 120.400 -0.003 0.000 2.144 115 D HA 0.028 4.668 4.640 -0.000 0.000 0.207 115 D C 2.219 178.518 176.300 -0.001 0.000 0.970 115 D CA 0.711 54.710 54.000 -0.002 0.000 0.853 115 D CB -0.232 40.566 40.800 -0.003 0.000 1.007 115 D HN 0.298 nan 8.370 nan 0.000 0.469 116 L N 1.050 122.273 121.223 -0.001 0.000 2.137 116 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 116 L C 2.453 179.323 176.870 0.001 0.000 1.085 116 L CA 1.211 56.051 54.840 -0.000 0.000 0.760 116 L CB -0.365 41.694 42.059 -0.000 0.000 0.893 116 L HN 0.043 nan 8.230 nan 0.000 0.434 117 K N 0.303 120.703 120.400 0.001 0.000 2.103 117 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 117 K C 2.310 178.911 176.600 0.002 0.000 1.052 117 K CA 1.046 57.334 56.287 0.002 0.000 0.945 117 K CB 0.071 32.572 32.500 0.002 0.000 0.722 117 K HN 0.118 nan 8.250 nan 0.000 0.443 118 R N -0.154 120.346 120.500 0.000 0.000 2.057 118 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 118 R C 2.369 178.669 176.300 -0.000 0.000 1.136 118 R CA 1.626 57.726 56.100 -0.000 0.000 0.952 118 R CB -0.678 29.621 30.300 -0.001 0.000 0.848 118 R HN 0.384 nan 8.270 nan 0.000 0.430 119 G N 1.113 109.913 108.800 -0.000 0.000 2.505 119 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 119 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 119 G C 1.437 176.336 174.900 -0.000 0.000 1.145 119 G CA 1.264 46.364 45.100 -0.000 0.000 0.761 119 G HN 0.298 nan 8.290 nan 0.000 0.571 120 I N 0.593 121.163 120.570 0.001 0.000 2.202 120 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 120 I C 2.233 178.350 176.117 0.000 0.000 1.091 120 I CA 1.265 62.566 61.300 0.001 0.000 1.368 120 I CB -0.169 37.833 38.000 0.003 0.000 1.058 120 I HN 0.080 nan 8.210 nan 0.000 0.410 121 D N 0.552 120.952 120.400 -0.000 0.000 2.219 121 D HA -0.182 4.458 4.640 -0.000 0.000 0.205 121 D C 2.009 178.306 176.300 -0.004 0.000 0.970 121 D CA 0.990 54.989 54.000 -0.002 0.000 0.851 121 D CB -0.001 40.798 40.800 -0.001 0.000 0.943 121 D HN 0.335 nan 8.370 nan 0.000 0.488 122 K N 0.860 121.258 120.400 -0.003 0.000 2.005 122 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 122 K C 2.129 178.727 176.600 -0.004 0.000 1.044 122 K CA 0.962 57.247 56.287 -0.004 0.000 0.942 122 K CB -0.035 32.463 32.500 -0.002 0.000 0.727 122 K HN -0.070 nan 8.250 nan 0.000 0.439 123 A N 0.848 123.666 122.820 -0.003 0.000 2.009 123 A HA -0.180 4.140 4.320 -0.000 0.000 0.222 123 A C 2.193 179.775 177.584 -0.004 0.000 1.175 123 A CA 1.980 54.016 52.037 -0.002 0.000 0.651 123 A CB -0.738 18.262 19.000 -0.001 0.000 0.815 123 A HN 0.223 nan 8.150 nan 0.000 0.459 124 V N -0.856 119.055 119.914 -0.006 0.000 2.256 124 V HA -0.177 3.943 4.120 -0.000 0.000 0.240 124 V C 2.650 178.736 176.094 -0.013 0.000 1.036 124 V CA 2.304 64.598 62.300 -0.010 0.000 1.008 124 V CB -1.254 30.562 31.823 -0.012 0.000 0.648 124 V HN 0.599 nan 8.190 nan 0.000 0.453 125 T N 0.664 115.210 114.554 -0.013 0.000 2.792 125 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 125 T C 1.809 176.502 174.700 -0.011 0.000 1.059 125 T CA 1.695 63.786 62.100 -0.015 0.000 1.136 125 T CB -0.406 68.455 68.868 -0.012 0.000 0.846 125 T HN 0.570 nan 8.240 nan 0.000 0.489 126 A N 1.340 124.155 122.820 -0.008 0.000 1.850 126 A HA 0.453 4.773 4.320 -0.000 0.000 0.212 126 A C 2.699 180.280 177.584 -0.005 0.000 1.208 126 A CA 1.216 53.250 52.037 -0.005 0.000 0.609 126 A CB -1.222 17.776 19.000 -0.003 0.000 0.860 126 A HN 0.478 nan 8.150 nan 0.000 0.448 127 A N -0.320 122.498 122.820 -0.005 0.000 2.024 127 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 127 A C 2.100 179.680 177.584 -0.006 0.000 1.164 127 A CA 1.823 53.858 52.037 -0.003 0.000 0.643 127 A CB -0.898 18.101 19.000 -0.003 0.000 0.806 127 A HN 0.433 nan 8.150 nan 0.000 0.451 128 V N -0.325 119.582 119.914 -0.012 0.000 2.515 128 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 128 V C 2.280 178.367 176.094 -0.012 0.000 1.058 128 V CA 2.247 64.537 62.300 -0.016 0.000 1.064 128 V CB -0.715 31.093 31.823 -0.026 0.000 0.675 128 V HN 0.658 nan 8.190 nan 0.000 0.461 129 E N -0.218 119.977 120.200 -0.009 0.000 2.075 129 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 129 E C 2.180 178.779 176.600 -0.002 0.000 0.969 129 E CA 0.605 57.002 56.400 -0.005 0.000 0.815 129 E CB -0.111 29.586 29.700 -0.005 0.000 0.776 129 E HN 0.431 nan 8.360 nan 0.000 0.457 130 E N 0.952 121.152 120.200 -0.000 0.000 2.284 130 E HA -0.205 4.145 4.350 -0.000 0.000 0.200 130 E C 1.701 178.304 176.600 0.005 0.000 1.008 130 E CA 0.586 56.988 56.400 0.003 0.000 0.829 130 E CB -0.041 29.662 29.700 0.004 0.000 0.744 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.196 121.420 121.223 0.002 0.000 2.162 131 L HA 0.027 4.367 4.340 -0.000 0.000 0.205 131 L C 1.676 178.548 176.870 0.004 0.000 1.086 131 L CA 1.298 56.140 54.840 0.004 0.000 0.778 131 L CB -0.018 42.041 42.059 -0.000 0.000 0.928 131 L HN -0.081 nan 8.230 nan 0.000 0.446 132 K N -0.374 120.026 120.400 0.001 0.000 2.574 132 K HA -0.037 4.283 4.320 -0.000 0.000 0.193 132 K C 1.771 178.373 176.600 0.004 0.000 1.035 132 K CA 0.581 56.868 56.287 0.001 0.000 0.982 132 K CB -0.072 32.426 32.500 -0.002 0.000 0.795 132 K HN 0.446 nan 8.250 nan 0.000 0.491 133 A N 1.412 124.235 122.820 0.006 0.000 1.835 133 A HA -0.070 4.250 4.320 -0.000 0.000 0.213 133 A C 1.981 179.571 177.584 0.010 0.000 1.210 133 A CA 0.713 52.754 52.037 0.007 0.000 0.605 133 A CB -0.463 18.542 19.000 0.008 0.000 0.860 133 A HN 0.113 nan 8.150 nan 0.000 0.447 134 L N 0.456 121.687 121.223 0.013 0.000 2.081 134 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 134 L C 1.527 178.406 176.870 0.015 0.000 1.080 134 L CA 1.145 55.995 54.840 0.017 0.000 0.754 134 L CB -1.232 40.839 42.059 0.020 0.000 0.893 134 L HN 0.420 nan 8.230 nan 0.000 0.433 135 S N 0.558 116.265 115.700 0.012 0.000 2.998 135 S HA -0.009 4.461 4.470 -0.000 0.000 0.348 135 S C -0.061 174.545 174.600 0.011 0.000 1.210 135 S CA -0.290 57.916 58.200 0.010 0.000 1.118 135 S CB -0.156 63.048 63.200 0.007 0.000 0.832 135 S HN 0.073 nan 8.310 nan 0.000 0.516 136 V N 9.843 129.764 119.914 0.012 0.000 2.318 136 V HA 0.293 4.413 4.120 -0.000 0.000 0.271 136 V C -1.636 174.464 176.094 0.010 0.000 1.030 136 V CA -1.740 60.567 62.300 0.012 0.000 0.844 136 V CB 0.649 32.480 31.823 0.014 0.000 1.015 136 V HN 0.760 nan 8.190 nan 0.000 0.460 137 P HA -0.137 nan 4.420 nan 0.000 0.277 137 P C -0.131 177.173 177.300 0.007 0.000 1.237 137 P CA 0.218 63.322 63.100 0.007 0.000 0.819 137 P CB 0.299 32.002 31.700 0.006 0.000 0.841 138 C N 1.061 120.364 119.300 0.006 0.000 3.079 138 C HA 0.304 4.764 4.460 -0.000 0.000 0.246 138 C C 1.188 176.181 174.990 0.004 0.000 1.025 138 C CA 0.030 59.051 59.018 0.005 0.000 1.081 138 C CB -1.347 26.397 27.740 0.007 0.000 1.757 138 C HN 0.555 nan 8.230 nan 0.000 0.646 139 S N 0.607 116.309 115.700 0.003 0.000 2.527 139 S HA 0.085 4.555 4.470 -0.000 0.000 0.227 139 S C 0.361 174.962 174.600 0.001 0.000 1.059 139 S CA 0.174 58.375 58.200 0.002 0.000 0.919 139 S CB 0.045 63.245 63.200 0.001 0.000 0.805 139 S HN 0.921 nan 8.310 nan 0.000 0.500 140 D N 2.300 122.701 120.400 0.002 0.000 2.348 140 D HA 0.086 4.726 4.640 -0.000 0.000 0.253 140 D C 0.680 176.981 176.300 0.001 0.000 1.161 140 D CA -0.008 53.993 54.000 0.001 0.000 0.876 140 D CB 1.130 41.931 40.800 0.002 0.000 1.160 140 D HN 0.158 nan 8.370 nan 0.000 0.459 141 S N 1.647 117.347 115.700 0.000 0.000 2.559 141 S HA -0.242 4.228 4.470 -0.000 0.000 0.250 141 S C 1.342 175.943 174.600 0.001 0.000 0.977 141 S CA 0.703 58.903 58.200 -0.000 0.000 0.958 141 S CB -0.304 62.896 63.200 -0.001 0.000 0.751 141 S HN 0.660 nan 8.310 nan 0.000 0.534 142 K N 1.315 121.716 120.400 0.002 0.000 2.141 142 K HA 0.260 4.580 4.320 -0.000 0.000 0.202 142 K C 2.223 178.825 176.600 0.003 0.000 1.045 142 K CA 0.738 57.027 56.287 0.002 0.000 0.971 142 K CB -0.424 32.078 32.500 0.002 0.000 0.795 142 K HN 0.354 nan 8.250 nan 0.000 0.459 143 A N 1.322 124.145 122.820 0.004 0.000 2.014 143 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 143 A C 1.971 179.558 177.584 0.005 0.000 1.163 143 A CA 0.712 52.752 52.037 0.005 0.000 0.652 143 A CB -0.420 18.583 19.000 0.006 0.000 0.808 143 A HN 0.319 nan 8.150 nan 0.000 0.449 144 I N -0.318 120.254 120.570 0.004 0.000 2.226 144 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 144 I C 2.965 179.085 176.117 0.004 0.000 1.100 144 I CA 0.986 62.288 61.300 0.004 0.000 1.374 144 I CB -0.279 37.722 38.000 0.001 0.000 1.057 144 I HN 0.386 nan 8.210 nan 0.000 0.413 145 A N 0.368 123.190 122.820 0.003 0.000 1.865 145 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 145 A C 2.205 179.792 177.584 0.005 0.000 1.191 145 A CA 1.669 53.708 52.037 0.004 0.000 0.623 145 A CB -0.735 18.267 19.000 0.003 0.000 0.826 145 A HN 0.471 nan 8.150 nan 0.000 0.444 146 Q N -0.538 119.265 119.800 0.006 0.000 2.152 146 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 146 Q C 2.123 178.128 176.000 0.008 0.000 0.985 146 Q CA 1.646 57.453 55.803 0.007 0.000 0.863 146 Q CB -0.463 28.279 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.334 120.253 119.914 0.009 0.000 2.229 147 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 147 V C 2.292 178.394 176.094 0.012 0.000 1.042 147 V CA 2.069 64.376 62.300 0.011 0.000 1.000 147 V CB -1.265 30.565 31.823 0.012 0.000 0.637 147 V HN 0.550 nan 8.190 nan 0.000 0.446 148 G N -0.680 108.126 108.800 0.012 0.000 2.503 148 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.221 148 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.221 148 G C 1.651 176.558 174.900 0.011 0.000 1.131 148 G CA 1.771 46.878 45.100 0.013 0.000 0.756 148 G HN 0.482 nan 8.290 nan 0.000 0.572 149 T N 0.994 115.553 114.554 0.009 0.000 2.867 149 T HA 0.005 4.355 4.350 -0.000 0.000 0.268 149 T C 2.294 176.999 174.700 0.008 0.000 1.057 149 T CA 0.875 62.979 62.100 0.007 0.000 1.136 149 T CB -0.095 68.776 68.868 0.006 0.000 0.874 149 T HN 0.327 nan 8.240 nan 0.000 0.466 150 I N 0.608 121.184 120.570 0.009 0.000 2.876 150 I HA 0.004 4.174 4.170 -0.000 0.000 0.264 150 I C 2.151 178.274 176.117 0.010 0.000 1.204 150 I CA 0.527 61.832 61.300 0.008 0.000 1.485 150 I CB -0.076 37.929 38.000 0.009 0.000 1.103 150 I HN 0.107 nan 8.210 nan 0.000 0.446 151 S N 0.853 116.561 115.700 0.013 0.000 2.527 151 S HA 0.139 4.609 4.470 -0.000 0.000 0.222 151 S C 1.680 176.289 174.600 0.015 0.000 0.985 151 S CA 0.743 58.953 58.200 0.016 0.000 0.921 151 S CB 0.125 63.339 63.200 0.024 0.000 0.772 151 S HN 0.478 nan 8.310 nan 0.000 0.529 152 A N 1.354 124.181 122.820 0.012 0.000 2.500 152 A HA 0.440 4.760 4.320 -0.000 0.000 0.267 152 A C 0.567 178.156 177.584 0.007 0.000 1.290 152 A CA -0.372 51.672 52.037 0.011 0.000 0.928 152 A CB -0.438 18.568 19.000 0.010 0.000 1.066 152 A HN 0.371 nan 8.150 nan 0.000 0.516 153 N N -0.234 118.470 118.700 0.006 0.000 2.746 153 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 153 N C 0.209 175.721 175.510 0.003 0.000 1.055 153 N CA 1.044 54.096 53.050 0.004 0.000 0.699 153 N CB -1.847 36.642 38.487 0.003 0.000 0.919 153 N HN 0.512 nan 8.380 nan 0.000 0.548 154 S N -1.550 114.152 115.700 0.003 0.000 3.490 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.301 154 S C -0.366 174.236 174.600 0.003 0.000 1.233 154 S CA 0.828 59.029 58.200 0.002 0.000 0.914 154 S CB -1.032 62.168 63.200 0.001 0.000 1.047 154 S HN 0.766 nan 8.310 nan 0.000 0.602 155 D N 1.357 121.759 120.400 0.004 0.000 2.441 155 D HA 0.221 4.861 4.640 -0.000 0.000 0.221 155 D C 1.132 177.434 176.300 0.004 0.000 1.156 155 D CA -0.272 53.730 54.000 0.004 0.000 0.896 155 D CB 0.499 41.301 40.800 0.004 0.000 1.028 155 D HN 0.475 nan 8.370 nan 0.000 0.509 156 E N 1.337 121.538 120.200 0.003 0.000 2.130 156 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 156 E C 1.517 178.119 176.600 0.003 0.000 0.998 156 E CA 1.288 57.690 56.400 0.003 0.000 0.806 156 E CB 0.146 29.847 29.700 0.002 0.000 0.738 156 E HN 0.496 nan 8.360 nan 0.000 0.459 157 T N 1.017 115.573 114.554 0.003 0.000 2.699 157 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 157 T C 2.097 176.799 174.700 0.003 0.000 1.036 157 T CA 1.419 63.521 62.100 0.002 0.000 1.147 157 T CB -0.301 68.568 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.477 121.393 119.914 0.004 0.000 2.216 158 V HA -0.094 4.026 4.120 -0.000 0.000 0.243 158 V C 2.928 179.025 176.094 0.004 0.000 1.044 158 V CA 1.998 64.301 62.300 0.005 0.000 0.995 158 V CB -1.627 30.200 31.823 0.007 0.000 0.633 158 V HN 0.571 nan 8.190 nan 0.000 0.446 159 G N 0.037 108.840 108.800 0.005 0.000 2.679 159 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G C 1.632 176.534 174.900 0.002 0.000 1.164 159 G CA 1.803 46.905 45.100 0.004 0.000 0.769 159 G HN 0.541 nan 8.290 nan 0.000 0.610 160 K N 0.073 120.474 120.400 0.002 0.000 2.002 160 K HA 0.014 4.334 4.320 -0.000 0.000 0.209 160 K C 2.637 179.237 176.600 -0.001 0.000 1.048 160 K CA 1.208 57.495 56.287 0.000 0.000 0.930 160 K CB -0.381 32.120 32.500 0.000 0.000 0.714 160 K HN 0.352 nan 8.250 nan 0.000 0.438 161 L N 1.128 122.350 121.223 -0.000 0.000 2.034 161 L HA -0.289 4.051 4.340 -0.000 0.000 0.217 161 L C 2.502 179.370 176.870 -0.003 0.000 1.077 161 L CA 1.623 56.462 54.840 -0.002 0.000 0.769 161 L CB -0.407 41.652 42.059 -0.001 0.000 0.890 161 L HN 0.330 nan 8.230 nan 0.000 0.435 162 I N -0.792 119.777 120.570 -0.003 0.000 2.090 162 I HA -0.334 3.836 4.170 -0.000 0.000 0.236 162 I C 2.812 178.925 176.117 -0.006 0.000 1.064 162 I CA 1.290 62.587 61.300 -0.005 0.000 1.324 162 I CB -0.664 37.335 38.000 -0.003 0.000 1.044 162 I HN 0.255 nan 8.210 nan 0.000 0.399 163 A N 0.623 123.440 122.820 -0.004 0.000 1.915 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 163 A C 2.182 179.763 177.584 -0.005 0.000 1.198 163 A CA 2.298 54.332 52.037 -0.004 0.000 0.647 163 A CB -0.896 18.103 19.000 -0.002 0.000 0.825 163 A HN 0.544 nan 8.150 nan 0.000 0.456 164 E N -0.619 119.579 120.200 -0.004 0.000 2.153 164 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 164 E C 2.314 178.910 176.600 -0.007 0.000 0.988 164 E CA 0.877 57.274 56.400 -0.005 0.000 0.811 164 E CB -0.282 29.415 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.295 124.110 122.820 -0.008 0.000 1.854 165 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 165 A C 2.181 179.757 177.584 -0.012 0.000 1.192 165 A CA 1.151 53.181 52.037 -0.011 0.000 0.611 165 A CB -0.415 18.576 19.000 -0.014 0.000 0.832 165 A HN 0.105 nan 8.150 nan 0.000 0.442 166 M N -0.824 118.769 119.600 -0.013 0.000 2.213 166 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 166 M C 1.367 177.661 176.300 -0.010 0.000 1.062 166 M CA 1.721 57.013 55.300 -0.013 0.000 1.105 166 M CB -0.590 32.003 32.600 -0.012 0.000 1.385 166 M HN 0.361 nan 8.290 nan 0.000 0.417 167 D N 0.310 120.705 120.400 -0.008 0.000 2.378 167 D HA -0.060 4.580 4.640 -0.000 0.000 0.227 167 D C 1.802 178.098 176.300 -0.007 0.000 1.012 167 D CA 0.753 54.749 54.000 -0.006 0.000 0.905 167 D CB 0.306 41.103 40.800 -0.005 0.000 0.895 167 D HN 0.037 nan 8.370 nan 0.000 0.532 168 K N -0.669 119.726 120.400 -0.008 0.000 2.399 168 K HA 0.117 4.437 4.320 -0.000 0.000 0.196 168 K C 0.860 177.454 176.600 -0.009 0.000 1.103 168 K CA 0.446 56.728 56.287 -0.008 0.000 0.986 168 K CB 1.531 34.025 32.500 -0.009 0.000 0.952 168 K HN 0.151 nan 8.250 nan 0.000 0.541 169 V N -3.022 116.886 119.914 -0.011 0.000 3.261 169 V HA 0.438 4.558 4.120 -0.000 0.000 0.330 169 V C 0.249 176.336 176.094 -0.012 0.000 1.461 169 V CA -0.202 62.092 62.300 -0.011 0.000 1.127 169 V CB 0.089 31.904 31.823 -0.014 0.000 1.044 169 V HN 0.216 nan 8.190 nan 0.000 0.499 170 G N 2.529 111.323 108.800 -0.010 0.000 2.750 170 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 170 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 170 G C 0.267 175.160 174.900 -0.012 0.000 1.395 170 G CA 0.004 45.098 45.100 -0.010 0.000 0.918 170 G HN 0.786 nan 8.290 nan 0.000 0.594 171 K N 0.349 120.743 120.400 -0.011 0.000 2.585 171 K HA -0.025 4.295 4.320 -0.000 0.000 0.194 171 K C 0.650 177.241 176.600 -0.015 0.000 1.037 171 K CA 1.395 57.674 56.287 -0.013 0.000 0.964 171 K CB 0.378 32.873 32.500 -0.009 0.000 0.787 171 K HN 0.520 nan 8.250 nan 0.000 0.488 172 E N 1.080 121.272 120.200 -0.014 0.000 2.624 172 E HA 0.122 4.472 4.350 -0.000 0.000 0.210 172 E C 0.460 177.049 176.600 -0.017 0.000 0.997 172 E CA -0.090 56.301 56.400 -0.014 0.000 0.999 172 E CB 1.163 30.858 29.700 -0.010 0.000 1.040 172 E HN 0.412 nan 8.360 nan 0.000 0.469 173 G N 0.439 109.227 108.800 -0.020 0.000 2.568 173 G HA2 0.430 4.390 3.960 -0.000 0.000 0.293 173 G HA3 0.430 4.390 3.960 -0.000 0.000 0.293 173 G C -0.057 174.824 174.900 -0.031 0.000 1.347 173 G CA -0.430 44.657 45.100 -0.022 0.000 1.039 173 G HN -0.036 nan 8.290 nan 0.000 0.523 174 V N 0.030 119.926 119.914 -0.031 0.000 2.509 174 V HA 0.576 4.696 4.120 -0.000 0.000 0.284 174 V C -0.113 175.956 176.094 -0.042 0.000 1.047 174 V CA -0.356 61.920 62.300 -0.040 0.000 0.952 174 V CB 0.916 32.717 31.823 -0.037 0.000 0.988 174 V HN 0.482 nan 8.190 nan 0.000 0.469 175 I N 3.091 123.629 120.570 -0.053 0.000 2.571 175 I HA 0.513 4.683 4.170 -0.000 0.000 0.289 175 I C -0.394 175.692 176.117 -0.051 0.000 1.115 175 I CA -0.153 61.118 61.300 -0.048 0.000 1.045 175 I CB 2.483 40.453 38.000 -0.050 0.000 1.238 175 I HN 0.614 nan 8.210 nan 0.000 0.424 176 T N 4.577 119.109 114.554 -0.037 0.000 2.907 176 T HA 0.601 4.951 4.350 -0.000 0.000 0.292 176 T C -0.491 174.197 174.700 -0.020 0.000 1.043 176 T CA -0.722 61.359 62.100 -0.031 0.000 1.003 176 T CB 2.489 71.339 68.868 -0.030 0.000 1.084 176 T HN 0.384 nan 8.240 nan 0.000 0.483 177 V N 0.093 120.000 119.914 -0.012 0.000 2.378 177 V HA 0.641 4.761 4.120 -0.000 0.000 0.288 177 V C -0.187 175.906 176.094 -0.002 0.000 1.016 177 V CA -0.819 61.478 62.300 -0.004 0.000 0.840 177 V CB 1.008 32.834 31.823 0.004 0.000 0.994 177 V HN 0.864 nan 8.190 nan 0.000 0.431 178 E N 2.556 122.754 120.200 -0.004 0.000 2.961 178 E HA 0.428 4.778 4.350 -0.000 0.000 0.254 178 E C -0.939 175.661 176.600 -0.000 0.000 1.192 178 E CA -0.937 55.462 56.400 -0.003 0.000 1.069 178 E CB 0.834 30.530 29.700 -0.006 0.000 1.338 178 E HN 0.764 nan 8.360 nan 0.000 0.596 179 D N -0.129 120.271 120.400 -0.000 0.000 2.277 179 D HA 0.284 4.924 4.640 -0.000 0.000 0.250 179 D C -0.146 176.153 176.300 -0.000 0.000 1.032 179 D CA -0.228 53.773 54.000 0.001 0.000 0.947 179 D CB 1.497 42.298 40.800 0.002 0.000 1.159 179 D HN 0.442 nan 8.370 nan 0.000 0.460 180 G N -0.904 107.896 108.800 0.000 0.000 2.539 180 G HA2 0.284 4.244 3.960 -0.000 0.000 0.258 180 G HA3 0.284 4.244 3.960 -0.000 0.000 0.258 180 G C 0.842 175.741 174.900 -0.001 0.000 1.202 180 G CA -0.302 44.798 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.722 111.831 114.554 -0.002 0.000 3.069 181 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 181 T C 0.979 175.678 174.700 -0.001 0.000 1.053 181 T CA 0.520 62.619 62.100 -0.002 0.000 0.964 181 T CB 0.345 69.211 68.868 -0.003 0.000 1.005 181 T HN 2.007 nan 8.240 nan 0.000 0.532 182 G N 2.000 110.800 108.800 -0.001 0.000 2.314 182 G HA2 0.305 4.265 3.960 -0.000 0.000 0.286 182 G HA3 0.305 4.265 3.960 -0.000 0.000 0.286 182 G C -0.573 174.327 174.900 -0.000 0.000 1.270 182 G CA -0.616 44.484 45.100 -0.000 0.000 1.277 182 G HN 0.621 nan 8.290 nan 0.000 0.635 183 L N -0.016 121.208 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.356 183 L C 0.479 177.348 176.870 -0.000 0.000 1.007 183 L CA 2.317 57.157 54.840 0.000 0.000 1.222 183 L CB -0.313 41.746 42.059 0.000 0.000 0.016 183 L HN 1.789 nan 8.230 nan 0.000 0.101 184 Q N 1.540 121.340 119.800 -0.000 0.000 2.667 184 Q HA -0.125 4.215 4.340 -0.000 0.000 0.210 184 Q C -0.607 175.392 176.000 -0.001 0.000 1.417 184 Q CA 1.026 56.829 55.803 -0.001 0.000 0.607 184 Q CB -0.586 28.151 28.738 -0.001 0.000 0.739 184 Q HN 0.594 nan 8.270 nan 0.000 0.315 185 D N 3.319 123.718 120.400 -0.001 0.000 2.455 185 D HA 0.044 4.684 4.640 -0.000 0.000 0.241 185 D C 0.309 176.608 176.300 -0.002 0.000 1.138 185 D CA 0.753 54.753 54.000 -0.001 0.000 0.877 185 D CB 0.724 41.524 40.800 -0.001 0.000 1.187 185 D HN 0.310 nan 8.370 nan 0.000 0.451 186 E N 0.263 120.461 120.200 -0.003 0.000 2.244 186 E HA 0.603 4.953 4.350 -0.000 0.000 0.266 186 E C -0.926 175.671 176.600 -0.005 0.000 0.914 186 E CA -0.994 55.404 56.400 -0.004 0.000 0.794 186 E CB 2.312 32.010 29.700 -0.004 0.000 1.210 186 E HN 0.121 nan 8.360 nan 0.000 0.414 187 L N 2.765 123.984 121.223 -0.005 0.000 2.588 187 L HA 0.417 4.757 4.340 -0.000 0.000 0.263 187 L C -2.161 174.705 176.870 -0.007 0.000 0.935 187 L CA -0.236 54.600 54.840 -0.006 0.000 0.891 187 L CB 1.739 43.794 42.059 -0.006 0.000 1.318 187 L HN 0.626 nan 8.230 nan 0.000 0.409 188 D N 3.383 123.778 120.400 -0.008 0.000 2.639 188 D HA 0.451 5.091 4.640 -0.000 0.000 0.271 188 D C -1.387 174.908 176.300 -0.009 0.000 1.254 188 D CA -0.421 53.574 54.000 -0.008 0.000 0.810 188 D CB 2.038 42.834 40.800 -0.007 0.000 1.351 188 D HN 0.305 nan 8.370 nan 0.000 0.427 189 V N 0.191 120.100 119.914 -0.008 0.000 2.435 189 V HA 0.608 4.727 4.120 -0.000 0.000 0.290 189 V C 0.285 176.374 176.094 -0.008 0.000 1.030 189 V CA -0.670 61.625 62.300 -0.009 0.000 0.881 189 V CB 1.320 33.138 31.823 -0.008 0.000 0.983 189 V HN 0.612 nan 8.190 nan 0.000 0.445 190 V N 1.096 121.004 119.914 -0.009 0.000 2.962 190 V HA 0.653 4.773 4.120 -0.000 0.000 0.313 190 V C -0.345 175.745 176.094 -0.006 0.000 1.099 190 V CA -1.009 61.286 62.300 -0.008 0.000 0.971 190 V CB 2.175 33.992 31.823 -0.010 0.000 1.028 190 V HN 0.715 nan 8.190 nan 0.000 0.430 191 E N 2.422 122.620 120.200 -0.004 0.000 2.341 191 E HA 0.473 4.823 4.350 -0.000 0.000 0.256 191 E C 0.349 176.950 176.600 0.001 0.000 1.125 191 E CA 0.823 57.222 56.400 -0.000 0.000 0.939 191 E CB 0.784 30.485 29.700 0.001 0.000 0.991 191 E HN 1.097 nan 8.360 nan 0.000 0.458 192 G N 1.684 110.485 108.800 0.003 0.000 2.911 192 G HA2 0.749 4.709 3.960 -0.000 0.000 0.299 192 G HA3 0.749 4.709 3.960 -0.000 0.000 0.299 192 G C -0.916 173.994 174.900 0.016 0.000 1.283 192 G CA -0.544 44.559 45.100 0.005 0.000 0.805 192 G HN 0.417 nan 8.290 nan 0.000 0.548 193 M N -0.926 118.684 119.600 0.016 0.000 2.956 193 M HA 0.523 5.003 4.480 -0.000 0.000 0.272 193 M C -2.476 173.826 176.300 0.003 0.000 1.132 193 M CA -0.624 54.700 55.300 0.039 0.000 0.805 193 M CB 2.340 34.999 32.600 0.098 0.000 1.639 193 M HN 0.642 nan 8.290 nan 0.000 0.520 194 Q N 2.674 122.485 119.800 0.018 0.000 2.280 194 Q HA 0.544 4.884 4.340 -0.000 0.000 0.259 194 Q C -2.261 173.738 176.000 -0.003 0.000 0.964 194 Q CA -0.522 55.220 55.803 -0.102 0.000 0.844 194 Q CB 1.868 30.547 28.738 -0.099 0.000 1.334 194 Q HN 0.582 nan 8.270 nan 0.000 0.423 195 F N -0.017 119.925 119.950 -0.013 0.000 2.579 195 F HA 0.549 5.076 4.527 -0.000 0.000 0.324 195 F C 0.104 175.897 175.800 -0.011 0.000 1.058 195 F CA -1.137 56.858 58.000 -0.009 0.000 0.944 195 F CB 0.978 39.976 39.000 -0.004 0.000 1.245 195 F HN 0.287 nan 8.300 nan 0.000 0.477 196 D N 2.429 122.957 120.400 0.213 0.000 2.982 196 D HA 0.093 4.733 4.640 -0.000 0.000 0.238 196 D C -0.168 176.211 176.300 0.131 0.000 1.168 196 D CA 0.345 54.410 54.000 0.109 0.000 0.947 196 D CB -0.052 40.799 40.800 0.085 0.000 1.147 196 D HN 0.243 nan 8.370 nan 0.000 0.450 197 R N -0.043 120.556 120.500 0.166 0.000 2.686 197 R HA 0.598 4.938 4.340 -0.000 0.000 0.286 197 R C 0.369 176.675 176.300 0.011 0.000 0.969 197 R CA -0.722 55.469 56.100 0.153 0.000 0.898 197 R CB 2.176 32.686 30.300 0.350 0.000 1.183 197 R HN 0.100 nan 8.270 nan 0.000 0.456 198 G N 0.841 109.617 108.800 -0.041 0.000 2.667 198 G HA2 0.455 4.415 3.960 -0.000 0.000 0.310 198 G HA3 0.455 4.415 3.960 -0.000 0.000 0.310 198 G C -0.759 174.101 174.900 -0.067 0.000 1.259 198 G CA -0.566 44.424 45.100 -0.183 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.839 119.482 120.300 0.036 0.000 2.652 199 Y HA 0.276 4.825 4.550 -0.000 0.000 0.344 199 Y C 1.344 177.308 175.900 0.106 0.000 1.254 199 Y CA -1.035 57.097 58.100 0.054 0.000 1.480 199 Y CB 0.193 38.724 38.460 0.117 0.000 1.345 199 Y HN 0.212 nan 8.280 nan 0.000 0.617 200 L N 1.250 122.718 121.223 0.407 0.000 2.240 200 L HA 0.058 4.398 4.340 -0.000 0.000 0.211 200 L C 0.507 177.587 176.870 0.350 0.000 1.106 200 L CA 1.163 56.205 54.840 0.338 0.000 0.793 200 L CB -0.443 41.783 42.059 0.279 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.094 112.837 115.700 0.385 0.000 2.543 201 S HA 0.484 4.954 4.470 -0.000 0.000 0.274 201 S C -2.755 171.693 174.600 -0.252 0.000 1.149 201 S CA -1.203 57.042 58.200 0.075 0.000 0.866 201 S CB 2.053 65.279 63.200 0.043 0.000 1.111 201 S HN -0.286 nan 8.310 nan 0.000 0.457 202 P HA 0.206 nan 4.420 nan 0.000 0.317 202 P C 0.263 177.249 177.300 -0.523 0.000 1.427 202 P CA 0.560 63.176 63.100 -0.807 0.000 0.820 202 P CB -0.157 31.076 31.700 -0.779 0.000 1.894 203 Y N -4.551 115.573 120.300 -0.293 0.000 2.843 203 Y HA -0.314 4.236 4.550 -0.000 0.000 0.492 203 Y C 1.963 177.738 175.900 -0.208 0.000 1.055 203 Y CA 1.490 59.430 58.100 -0.267 0.000 2.997 203 Y CB -3.175 35.073 38.460 -0.354 0.000 0.837 203 Y HN 0.081 nan 8.280 nan 0.000 0.553 204 F N 0.476 120.436 119.950 0.016 0.000 2.236 204 F HA -0.127 4.400 4.527 -0.000 0.000 0.302 204 F C 1.500 177.301 175.800 0.002 0.000 1.073 204 F CA 0.986 58.994 58.000 0.013 0.000 1.336 204 F CB -0.759 38.245 39.000 0.006 0.000 1.040 204 F HN -0.009 nan 8.300 nan 0.000 0.507 205 I N 2.500 123.142 120.570 0.120 0.000 2.943 205 I HA -0.225 3.945 4.170 -0.000 0.000 0.296 205 I C 0.759 176.922 176.117 0.077 0.000 1.220 205 I CA 0.532 61.874 61.300 0.070 0.000 1.409 205 I CB -0.131 37.859 38.000 -0.015 0.000 1.374 205 I HN 0.238 nan 8.210 nan 0.000 0.545 206 N N 4.855 123.604 118.700 0.082 0.000 2.184 206 N HA 0.069 4.809 4.740 -0.000 0.000 0.206 206 N C -0.018 175.523 175.510 0.051 0.000 1.151 206 N CA -0.131 52.959 53.050 0.066 0.000 0.878 206 N CB 0.480 39.009 38.487 0.069 0.000 1.014 206 N HN 0.484 nan 8.380 nan 0.000 0.512 207 K N 1.145 121.575 120.400 0.051 0.000 2.842 207 K HA 0.245 4.565 4.320 -0.000 0.000 0.176 207 K C -2.154 174.470 176.600 0.040 0.000 1.080 207 K CA -1.557 54.755 56.287 0.042 0.000 0.954 207 K CB 1.890 34.415 32.500 0.042 0.000 1.203 207 K HN 0.001 nan 8.250 nan 0.000 0.611 208 P HA -0.172 nan 4.420 nan 0.000 0.231 208 P C 0.207 177.520 177.300 0.021 0.000 1.154 208 P CA 1.088 64.203 63.100 0.025 0.000 0.762 208 P CB 0.507 32.218 31.700 0.019 0.000 0.790 209 E N -0.140 120.074 120.200 0.023 0.000 2.021 209 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 209 E C 2.065 178.675 176.600 0.017 0.000 0.980 209 E CA 1.700 58.110 56.400 0.017 0.000 0.803 209 E CB -0.925 28.785 29.700 0.017 0.000 0.766 209 E HN 0.198 nan 8.360 nan 0.000 0.449 210 T N -1.282 113.288 114.554 0.027 0.000 2.942 210 T HA 0.111 4.461 4.350 -0.000 0.000 0.265 210 T C 1.358 176.085 174.700 0.044 0.000 1.062 210 T CA 0.911 63.030 62.100 0.032 0.000 1.139 210 T CB 0.007 68.901 68.868 0.043 0.000 0.883 210 T HN 0.420 nan 8.240 nan 0.000 0.468 211 G N 1.083 109.917 108.800 0.056 0.000 2.130 211 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 211 G C 0.034 175.024 174.900 0.150 0.000 0.999 211 G CA -0.057 45.092 45.100 0.082 0.000 0.686 211 G HN 0.909 nan 8.290 nan 0.000 0.515 212 A N -1.523 121.373 122.820 0.128 0.000 2.475 212 A HA 0.988 5.308 4.320 -0.000 0.000 0.281 212 A C -0.271 177.395 177.584 0.137 0.000 1.263 212 A CA -0.148 51.990 52.037 0.168 0.000 0.776 212 A CB 1.651 20.716 19.000 0.108 0.000 1.347 212 A HN 1.243 nan 8.150 nan 0.000 0.443 213 V N 0.242 120.240 119.914 0.140 0.000 2.769 213 V HA 0.661 4.781 4.120 -0.000 0.000 0.312 213 V C -0.297 175.834 176.094 0.063 0.000 1.058 213 V CA -0.421 61.944 62.300 0.108 0.000 0.952 213 V CB 1.624 33.524 31.823 0.128 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.849 123.079 120.200 0.051 0.000 2.274 214 E HA 0.617 4.967 4.350 -0.000 0.000 0.269 214 E C -2.010 174.605 176.600 0.025 0.000 0.891 214 E CA -0.535 55.882 56.400 0.028 0.000 0.784 214 E CB 1.676 31.391 29.700 0.026 0.000 1.225 214 E HN 0.621 nan 8.360 nan 0.000 0.412 215 L N 3.398 124.628 121.223 0.011 0.000 2.381 215 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 215 L C -0.429 176.435 176.870 -0.010 0.000 0.988 215 L CA -0.876 53.969 54.840 0.007 0.000 0.824 215 L CB 2.009 44.073 42.059 0.009 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.474 121.666 120.200 -0.014 0.000 2.156 216 E HA 0.304 4.654 4.350 -0.000 0.000 0.279 216 E C -0.161 176.405 176.600 -0.057 0.000 0.965 216 E CA -0.545 55.837 56.400 -0.030 0.000 0.789 216 E CB 1.578 31.266 29.700 -0.021 0.000 1.098 216 E HN 0.634 nan 8.360 nan 0.000 0.397 217 S N 1.707 117.359 115.700 -0.080 0.000 3.614 217 S HA -0.124 4.346 4.470 -0.000 0.000 0.360 217 S C -2.034 172.437 174.600 -0.215 0.000 1.023 217 S CA 0.417 58.534 58.200 -0.138 0.000 1.114 217 S CB -1.342 61.781 63.200 -0.129 0.000 0.907 217 S HN 0.514 nan 8.310 nan 0.000 0.470 218 P HA 0.551 nan 4.420 nan 0.000 0.279 218 P C -0.126 177.044 177.300 -0.217 0.000 1.276 218 P CA -0.610 62.403 63.100 -0.146 0.000 0.801 218 P CB 0.545 32.228 31.700 -0.030 0.000 1.127 219 F N -0.516 119.441 119.950 0.011 0.000 2.432 219 F HA 0.476 5.003 4.527 -0.000 0.000 0.329 219 F C 0.742 176.549 175.800 0.012 0.000 1.076 219 F CA -0.446 57.562 58.000 0.012 0.000 1.018 219 F CB 0.900 39.907 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.147 123.859 120.570 0.237 0.000 2.569 220 I HA 0.389 4.558 4.170 -0.000 0.000 0.296 220 I C -1.425 174.755 176.117 0.105 0.000 1.028 220 I CA -1.118 60.262 61.300 0.133 0.000 1.082 220 I CB 2.082 40.141 38.000 0.099 0.000 1.264 220 I HN 0.234 nan 8.210 nan 0.000 0.429 221 L N 6.876 128.141 121.223 0.070 0.000 2.280 221 L HA 0.525 4.865 4.340 -0.000 0.000 0.287 221 L C -1.087 175.802 176.870 0.032 0.000 1.023 221 L CA -0.191 54.675 54.840 0.043 0.000 0.819 221 L CB 0.982 43.060 42.059 0.032 0.000 1.212 221 L HN 0.474 nan 8.230 nan 0.000 0.420 222 L N 6.143 127.380 121.223 0.023 0.000 2.301 222 L HA 0.797 5.137 4.340 -0.000 0.000 0.278 222 L C -0.287 176.585 176.870 0.003 0.000 1.022 222 L CA -0.428 54.418 54.840 0.010 0.000 0.854 222 L CB 1.183 43.248 42.059 0.009 0.000 1.226 222 L HN 0.780 nan 8.230 nan 0.000 0.429 223 A N 1.848 124.669 122.820 0.001 0.000 2.381 223 A HA 0.445 4.765 4.320 -0.000 0.000 0.299 223 A C -1.075 176.508 177.584 -0.002 0.000 1.049 223 A CA -0.586 51.452 52.037 0.001 0.000 0.715 223 A CB 1.478 20.481 19.000 0.005 0.000 1.222 223 A HN 0.641 nan 8.150 nan 0.000 0.428 224 D N 2.504 122.902 120.400 -0.004 0.000 2.422 224 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 224 D C -0.053 176.249 176.300 0.003 0.000 1.190 224 D CA 0.420 54.417 54.000 -0.004 0.000 0.905 224 D CB -0.277 40.518 40.800 -0.008 0.000 1.034 224 D HN 0.706 nan 8.370 nan 0.000 0.507 225 K N 0.740 121.145 120.400 0.008 0.000 3.663 225 K HA 0.126 4.446 4.320 -0.000 0.000 0.413 225 K C -1.409 175.202 176.600 0.018 0.000 1.089 225 K CA -1.130 55.164 56.287 0.013 0.000 0.860 225 K CB 0.235 32.742 32.500 0.011 0.000 1.492 225 K HN 0.027 nan 8.250 nan 0.000 0.517 226 K N 0.865 121.278 120.400 0.021 0.000 2.118 226 K HA 0.512 4.832 4.320 -0.000 0.000 0.264 226 K C -0.499 176.116 176.600 0.025 0.000 1.000 226 K CA -0.623 55.679 56.287 0.025 0.000 0.929 226 K CB 0.878 33.394 32.500 0.026 0.000 1.021 226 K HN 0.376 nan 8.250 nan 0.000 0.463 227 I N 1.673 122.261 120.570 0.030 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.162 176.300 176.117 0.035 0.000 1.023 227 I CA -0.109 61.210 61.300 0.031 0.000 1.100 227 I CB 1.914 39.934 38.000 0.033 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.833 118.551 115.700 0.029 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.717 175.333 174.600 0.026 0.000 1.078 228 S CA -0.125 58.092 58.200 0.029 0.000 0.867 228 S CB 0.285 63.500 63.200 0.025 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.908 121.621 118.700 0.021 0.000 2.399 229 N HA 0.186 4.926 4.740 -0.000 0.000 0.259 229 N C 0.674 176.195 175.510 0.019 0.000 1.160 229 N CA 0.022 53.083 53.050 0.018 0.000 0.946 229 N CB 0.845 39.341 38.487 0.014 0.000 1.156 229 N HN 0.336 nan 8.380 nan 0.000 0.489 230 I N 3.212 123.794 120.570 0.021 0.000 2.423 230 I HA -0.295 3.875 4.170 -0.000 0.000 0.254 230 I C 1.905 178.032 176.117 0.016 0.000 1.151 230 I CA 1.176 62.489 61.300 0.022 0.000 1.421 230 I CB 0.204 38.217 38.000 0.022 0.000 1.079 230 I HN 0.427 nan 8.210 nan 0.000 0.431 231 R N 0.825 121.332 120.500 0.012 0.000 2.119 231 R HA -0.242 4.098 4.340 -0.000 0.000 0.246 231 R C 1.945 178.249 176.300 0.007 0.000 1.146 231 R CA 2.161 58.266 56.100 0.008 0.000 0.962 231 R CB -0.476 29.828 30.300 0.007 0.000 0.863 231 R HN 0.574 nan 8.270 nan 0.000 0.442 232 E N -0.179 120.026 120.200 0.008 0.000 2.265 232 E HA -0.173 4.176 4.350 -0.000 0.000 0.196 232 E C 1.917 178.520 176.600 0.005 0.000 0.996 232 E CA 0.868 57.272 56.400 0.006 0.000 0.832 232 E CB 0.023 29.729 29.700 0.009 0.000 0.756 232 E HN 0.272 nan 8.360 nan 0.000 0.491 233 M N 0.214 119.819 119.600 0.008 0.000 2.115 233 M HA -0.053 4.427 4.480 -0.000 0.000 0.261 233 M C 2.408 178.708 176.300 0.001 0.000 1.079 233 M CA 1.095 56.400 55.300 0.008 0.000 1.143 233 M CB -1.043 31.567 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.612 121.837 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.432 176.432 176.870 -0.010 0.000 1.106 234 L CA 2.081 56.920 54.840 -0.001 0.000 0.827 234 L CB -2.862 39.197 42.059 0.000 0.000 0.915 234 L HN 0.218 nan 8.230 nan 0.000 0.448 235 P HA -0.114 nan 4.420 nan 0.000 0.226 235 P C 1.381 178.662 177.300 -0.032 0.000 1.146 235 P CA 1.393 64.481 63.100 -0.019 0.000 0.773 235 P CB 0.197 31.887 31.700 -0.016 0.000 0.772 236 V N -1.358 118.536 119.914 -0.033 0.000 3.371 236 V HA 0.071 4.191 4.120 -0.000 0.000 0.246 236 V C 2.446 178.509 176.094 -0.051 0.000 1.303 236 V CA 0.232 62.499 62.300 -0.054 0.000 1.156 236 V CB -0.488 31.305 31.823 -0.049 0.000 0.929 236 V HN -0.042 nan 8.190 nan 0.000 0.459 237 L N 0.268 121.477 121.223 -0.023 0.000 2.456 237 L HA -0.067 4.273 4.340 -0.000 0.000 0.224 237 L C 2.226 179.089 176.870 -0.011 0.000 1.148 237 L CA 1.467 56.302 54.840 -0.008 0.000 0.825 237 L CB -0.174 41.890 42.059 0.009 0.000 0.937 237 L HN 0.467 nan 8.230 nan 0.000 0.450 238 E N -0.468 119.719 120.200 -0.021 0.000 2.251 238 E HA 0.039 4.389 4.350 -0.000 0.000 0.194 238 E C 2.127 178.707 176.600 -0.032 0.000 0.964 238 E CA 0.619 57.009 56.400 -0.018 0.000 0.868 238 E CB 0.140 29.832 29.700 -0.013 0.000 0.828 238 E HN 0.387 nan 8.360 nan 0.000 0.481 239 A N 0.967 123.753 122.820 -0.058 0.000 2.168 239 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 239 A C 1.986 179.495 177.584 -0.125 0.000 1.152 239 A CA 0.660 52.645 52.037 -0.087 0.000 0.716 239 A CB 0.087 19.020 19.000 -0.110 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.283 118.569 119.914 -0.103 0.000 3.578 240 V HA 0.142 4.262 4.120 -0.000 0.000 0.290 240 V C 2.320 178.423 176.094 0.016 0.000 1.376 240 V CA 0.830 63.078 62.300 -0.086 0.000 1.083 240 V CB 0.047 31.823 31.823 -0.079 0.000 0.911 240 V HN 0.531 nan 8.190 nan 0.000 0.433 241 A N -0.274 122.550 122.820 0.008 0.000 1.975 241 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 241 A C 1.440 179.045 177.584 0.036 0.000 1.170 241 A CA 0.713 52.767 52.037 0.028 0.000 0.656 241 A CB 0.022 19.032 19.000 0.016 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.148 118.266 120.400 0.024 0.000 2.118 242 K HA 0.433 4.753 4.320 -0.000 0.000 0.240 242 K C 1.066 177.709 176.600 0.071 0.000 1.035 242 K CA 0.303 56.610 56.287 0.033 0.000 0.899 242 K CB 0.326 32.834 32.500 0.014 0.000 1.085 242 K HN 0.598 nan 8.250 nan 0.000 0.498 243 A N 0.299 123.167 122.820 0.081 0.000 4.115 243 A HA -0.239 4.081 4.320 -0.000 0.000 0.268 243 A C 1.201 178.860 177.584 0.124 0.000 0.917 243 A CA 1.796 53.908 52.037 0.126 0.000 1.090 243 A CB -2.441 16.695 19.000 0.227 0.000 1.067 243 A HN 1.392 nan 8.150 nan 0.000 0.828 244 G N -1.252 107.610 108.800 0.104 0.000 2.321 244 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.287 244 G C -0.019 174.939 174.900 0.095 0.000 1.018 244 G CA 1.512 46.663 45.100 0.085 0.000 0.855 244 G HN 1.169 nan 8.290 nan 0.000 0.507 245 K N 0.728 121.223 120.400 0.159 0.000 2.164 245 K HA 0.519 4.839 4.320 -0.000 0.000 0.258 245 K C -2.014 174.691 176.600 0.175 0.000 0.951 245 K CA -1.992 54.372 56.287 0.128 0.000 0.844 245 K CB 2.355 34.885 32.500 0.050 0.000 1.099 245 K HN 0.069 nan 8.250 nan 0.000 0.435 246 P HA 0.122 nan 4.420 nan 0.000 0.274 246 P C -1.123 176.270 177.300 0.155 0.000 1.260 246 P CA -0.527 62.640 63.100 0.111 0.000 0.793 246 P CB 0.649 32.390 31.700 0.068 0.000 1.048 247 L N 0.299 121.597 121.223 0.125 0.000 2.401 247 L HA 0.568 4.908 4.340 -0.000 0.000 0.266 247 L C -1.414 175.496 176.870 0.067 0.000 0.991 247 L CA -1.044 53.875 54.840 0.132 0.000 0.818 247 L CB 1.697 43.829 42.059 0.120 0.000 1.321 247 L HN 0.176 nan 8.230 nan 0.000 0.413 248 L N 5.082 126.345 121.223 0.066 0.000 2.322 248 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 248 L C -1.223 175.664 176.870 0.028 0.000 1.014 248 L CA -0.234 54.619 54.840 0.022 0.000 0.815 248 L CB 1.449 43.528 42.059 0.034 0.000 1.247 248 L HN 0.429 nan 8.230 nan 0.000 0.421 249 I N 6.794 127.361 120.570 -0.004 0.000 2.362 249 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 249 I C -0.396 175.736 176.117 0.025 0.000 0.994 249 I CA -0.283 61.025 61.300 0.012 0.000 1.158 249 I CB 1.228 39.232 38.000 0.005 0.000 1.315 249 I HN 0.535 nan 8.210 nan 0.000 0.451 250 I N 5.725 126.315 120.570 0.033 0.000 2.439 250 I HA 0.678 4.848 4.170 -0.000 0.000 0.283 250 I C -0.037 176.085 176.117 0.008 0.000 1.023 250 I CA -0.242 61.075 61.300 0.029 0.000 1.100 250 I CB 1.784 39.801 38.000 0.029 0.000 1.238 250 I HN 0.708 nan 8.210 nan 0.000 0.445 251 A N 4.319 127.145 122.820 0.009 0.000 2.588 251 A HA 0.425 4.745 4.320 -0.000 0.000 0.290 251 A C 0.618 178.207 177.584 0.010 0.000 1.136 251 A CA -0.540 51.501 52.037 0.007 0.000 0.681 251 A CB 1.407 20.417 19.000 0.017 0.000 1.282 251 A HN 0.713 nan 8.150 nan 0.000 0.421 252 E N -0.577 119.630 120.200 0.012 0.000 2.147 252 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 252 E C 0.117 176.735 176.600 0.031 0.000 1.005 252 E CA 2.119 58.531 56.400 0.020 0.000 0.810 252 E CB 0.073 29.787 29.700 0.023 0.000 0.736 252 E HN 0.639 nan 8.360 nan 0.000 0.460 253 D N -3.101 117.319 120.400 0.034 0.000 2.940 253 D HA 0.110 4.750 4.640 -0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.049 0.000 1.255 253 D CA -0.371 53.656 54.000 0.045 0.000 0.734 253 D CB 1.013 41.839 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.533 121.484 119.914 0.061 0.000 2.567 254 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 254 V C -0.548 175.589 176.094 0.071 0.000 1.047 254 V CA -0.684 61.657 62.300 0.067 0.000 0.880 254 V CB 1.585 33.459 31.823 0.085 0.000 1.009 254 V HN 0.441 nan 8.190 nan 0.000 0.429 255 E N 2.409 122.643 120.200 0.057 0.000 2.250 255 E HA 0.462 4.812 4.350 -0.000 0.000 0.269 255 E C 1.422 178.053 176.600 0.050 0.000 1.018 255 E CA -0.135 56.296 56.400 0.052 0.000 0.873 255 E CB 1.632 31.356 29.700 0.040 0.000 1.134 255 E HN 0.774 nan 8.360 nan 0.000 0.403 256 G N 1.669 110.497 108.800 0.046 0.000 3.437 256 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G C 1.221 176.142 174.900 0.035 0.000 1.054 256 G CA 1.661 46.785 45.100 0.040 0.000 0.704 256 G HN 0.541 nan 8.290 nan 0.000 0.713 257 E N 0.718 120.938 120.200 0.033 0.000 2.002 257 E HA 0.136 4.486 4.350 -0.000 0.000 0.196 257 E C 2.938 179.559 176.600 0.035 0.000 0.974 257 E CA 0.955 57.373 56.400 0.028 0.000 0.853 257 E CB -0.862 28.853 29.700 0.025 0.000 0.808 257 E HN 0.329 nan 8.360 nan 0.000 0.492 258 A N 1.016 123.860 122.820 0.040 0.000 2.234 258 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 258 A C 2.075 179.702 177.584 0.072 0.000 1.167 258 A CA 1.150 53.216 52.037 0.049 0.000 0.698 258 A CB -0.467 18.562 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.598 120.671 121.223 0.076 0.000 2.056 259 L HA 0.206 4.546 4.340 -0.000 0.000 0.202 259 L C 2.511 179.427 176.870 0.077 0.000 1.086 259 L CA 2.119 57.023 54.840 0.107 0.000 0.758 259 L CB -1.009 41.112 42.059 0.104 0.000 0.912 259 L HN 0.225 nan 8.230 nan 0.000 0.446 260 A N -1.671 121.175 122.820 0.044 0.000 2.234 260 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 260 A C 2.056 179.637 177.584 -0.005 0.000 1.167 260 A CA 1.872 53.914 52.037 0.008 0.000 0.698 260 A CB -1.062 17.942 19.000 0.005 0.000 0.779 260 A HN 0.597 nan 8.150 nan 0.000 0.475 261 T N -0.082 114.484 114.554 0.020 0.000 2.814 261 T HA 0.053 4.403 4.350 -0.000 0.000 0.254 261 T C 1.758 176.473 174.700 0.025 0.000 1.037 261 T CA 1.172 63.283 62.100 0.018 0.000 1.143 261 T CB -0.240 68.645 68.868 0.030 0.000 0.866 261 T HN 0.411 nan 8.240 nan 0.000 0.431 262 L N 1.106 122.370 121.223 0.068 0.000 2.156 262 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 262 L C 2.534 179.437 176.870 0.054 0.000 1.095 262 L CA 0.603 55.510 54.840 0.113 0.000 0.770 262 L CB -0.732 41.460 42.059 0.221 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.418 119.470 119.914 -0.043 0.000 2.688 263 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 263 V C 2.142 178.110 176.094 -0.210 0.000 1.084 263 V CA 1.316 63.467 62.300 -0.248 0.000 1.103 263 V CB -0.193 31.505 31.823 -0.209 0.000 0.688 263 V HN 0.269 nan 8.190 nan 0.000 0.480 264 V N -1.007 118.836 119.914 -0.119 0.000 3.048 264 V HA -0.013 4.107 4.120 -0.000 0.000 0.241 264 V C 1.912 177.968 176.094 -0.062 0.000 1.129 264 V CA 1.107 63.339 62.300 -0.113 0.000 1.128 264 V CB -0.478 31.289 31.823 -0.092 0.000 0.849 264 V HN 0.497 nan 8.190 nan 0.000 0.475 265 N N 0.975 119.663 118.700 -0.021 0.000 2.084 265 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 265 N C 1.775 177.295 175.510 0.016 0.000 1.030 265 N CA 1.898 54.950 53.050 0.004 0.000 0.849 265 N CB -0.040 38.462 38.487 0.026 0.000 1.012 265 N HN 0.588 nan 8.380 nan 0.000 0.423 266 T N -1.674 112.903 114.554 0.039 0.000 3.194 266 T HA 0.074 4.423 4.350 -0.000 0.000 0.251 266 T C 1.404 176.119 174.700 0.025 0.000 1.132 266 T CA 0.118 62.254 62.100 0.061 0.000 1.028 266 T CB 0.108 69.059 68.868 0.139 0.000 0.976 266 T HN 0.030 nan 8.240 nan 0.000 0.535 267 M N 0.683 120.269 119.600 -0.024 0.000 2.357 267 M HA 0.390 4.870 4.480 -0.000 0.000 0.266 267 M C 2.155 178.431 176.300 -0.039 0.000 1.095 267 M CA 1.052 56.317 55.300 -0.059 0.000 1.156 267 M CB 0.105 32.627 32.600 -0.132 0.000 1.365 267 M HN 0.062 nan 8.290 nan 0.000 0.447 268 R N -0.538 119.945 120.500 -0.029 0.000 2.297 268 R HA 0.292 4.632 4.340 -0.000 0.000 0.197 268 R C 0.885 177.183 176.300 -0.003 0.000 0.943 268 R CA 0.713 56.801 56.100 -0.020 0.000 1.038 268 R CB 0.078 30.366 30.300 -0.020 0.000 0.957 268 R HN 0.601 nan 8.270 nan 0.000 0.484 269 G N 1.118 109.922 108.800 0.007 0.000 2.148 269 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.203 269 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.203 269 G C 0.123 175.036 174.900 0.023 0.000 0.993 269 G CA -0.527 44.584 45.100 0.018 0.000 0.661 269 G HN 0.211 nan 8.290 nan 0.000 0.518 270 I N 1.904 122.487 120.570 0.022 0.000 2.241 270 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 270 I C 0.810 176.950 176.117 0.039 0.000 1.145 270 I CA -0.779 60.536 61.300 0.025 0.000 1.261 270 I CB 0.608 38.618 38.000 0.017 0.000 1.475 270 I HN 0.097 nan 8.210 nan 0.000 0.533 271 V N 4.639 124.581 119.914 0.045 0.000 3.814 271 V HA -0.239 3.881 4.120 -0.000 0.000 0.480 271 V C 0.181 176.320 176.094 0.076 0.000 0.682 271 V CA 0.418 62.754 62.300 0.060 0.000 1.959 271 V CB -1.493 30.364 31.823 0.056 0.000 2.372 271 V HN 0.757 nan 8.190 nan 0.000 0.501 272 K N 3.993 124.443 120.400 0.083 0.000 2.368 272 K HA 0.687 5.007 4.320 -0.000 0.000 0.282 272 K C -0.176 176.492 176.600 0.115 0.000 1.035 272 K CA -0.113 56.237 56.287 0.105 0.000 0.973 272 K CB 1.331 33.888 32.500 0.095 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.684 120.691 119.914 0.155 0.000 3.159 273 V HA 0.869 4.989 4.120 -0.000 0.000 0.308 273 V C -1.133 174.991 176.094 0.050 0.000 1.190 273 V CA -1.061 61.304 62.300 0.108 0.000 1.037 273 V CB 2.239 34.129 31.823 0.112 0.000 1.060 273 V HN 0.821 nan 8.190 nan 0.000 0.437 274 A N 1.350 124.041 122.820 -0.215 0.000 2.594 274 A HA 1.038 5.358 4.320 -0.000 0.000 0.295 274 A C -0.911 176.376 177.584 -0.494 0.000 1.071 274 A CA -0.049 51.499 52.037 -0.814 0.000 0.685 274 A CB 1.960 20.599 19.000 -0.601 0.000 1.285 274 A HN 1.954 nan 8.150 nan 0.000 0.405 275 A N 0.160 122.629 122.820 -0.585 0.000 2.498 275 A HA 0.932 5.252 4.320 -0.000 0.000 0.298 275 A C -0.669 176.865 177.584 -0.083 0.000 1.075 275 A CA -0.093 51.831 52.037 -0.188 0.000 0.714 275 A CB 1.571 20.536 19.000 -0.058 0.000 1.299 275 A HN 2.365 nan 8.150 nan 0.000 0.407 276 V N -1.385 118.540 119.914 0.018 0.000 3.048 276 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 276 V C -0.601 175.549 176.094 0.093 0.000 1.214 276 V CA -1.336 61.014 62.300 0.083 0.000 0.984 276 V CB 1.313 33.213 31.823 0.129 0.000 1.054 276 V HN 0.914 nan 8.190 nan 0.000 0.430 277 K N 2.188 122.644 120.400 0.092 0.000 2.469 277 K HA 0.505 4.825 4.320 -0.000 0.000 0.274 277 K C 0.790 177.409 176.600 0.031 0.000 0.983 277 K CA 0.520 56.845 56.287 0.063 0.000 0.974 277 K CB 0.735 33.274 32.500 0.064 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.121 126.928 122.820 -0.022 0.000 2.364 278 A HA 0.185 4.505 4.320 -0.000 0.000 0.258 278 A C -2.026 175.459 177.584 -0.165 0.000 1.131 278 A CA -0.764 51.198 52.037 -0.125 0.000 0.800 278 A CB -0.483 18.462 19.000 -0.091 0.000 1.086 278 A HN 0.546 nan 8.150 nan 0.000 0.508 279 P HA 0.404 nan 4.420 nan 0.000 0.284 279 P C 0.691 177.956 177.300 -0.059 0.000 1.253 279 P CA 1.110 64.072 63.100 -0.229 0.000 0.800 279 P CB 0.879 32.340 31.700 -0.398 0.000 0.961 280 G N 2.853 111.679 108.800 0.044 0.000 2.581 280 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G C -0.512 174.547 174.900 0.266 0.000 1.277 280 G CA 0.728 45.922 45.100 0.157 0.000 0.959 280 G HN 0.773 nan 8.290 nan 0.000 0.554 281 F N -3.412 116.537 119.950 -0.002 0.000 2.831 281 F HA 0.727 5.254 4.527 -0.000 0.000 0.318 281 F C 0.927 176.733 175.800 0.010 0.000 1.174 281 F CA 0.396 58.398 58.000 0.003 0.000 0.918 281 F CB 0.711 39.719 39.000 0.013 0.000 1.364 281 F HN 2.452 nan 8.300 nan 0.000 0.475 282 G N 0.988 109.792 108.800 0.006 0.000 2.527 282 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G C 0.153 174.995 174.900 -0.097 0.000 1.175 282 G CA 0.498 45.538 45.100 -0.101 0.000 0.962 282 G HN 0.913 nan 8.290 nan 0.000 0.560 283 D N 0.972 121.298 120.400 -0.123 0.000 2.249 283 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 283 D C 2.533 178.775 176.300 -0.098 0.000 0.962 283 D CA 1.171 55.122 54.000 -0.082 0.000 0.860 283 D CB -0.013 40.751 40.800 -0.061 0.000 0.955 283 D HN 0.633 nan 8.370 nan 0.000 0.505 284 R N 1.131 121.541 120.500 -0.150 0.000 2.276 284 R HA 0.065 4.405 4.340 -0.000 0.000 0.203 284 R C 2.094 178.322 176.300 -0.119 0.000 1.017 284 R CA 0.350 56.368 56.100 -0.136 0.000 1.010 284 R CB -0.239 29.960 30.300 -0.169 0.000 0.900 284 R HN 0.003 nan 8.270 nan 0.000 0.469 285 R N 2.114 122.545 120.500 -0.115 0.000 2.066 285 R HA -0.061 4.278 4.340 -0.000 0.000 0.232 285 R C 1.235 177.493 176.300 -0.069 0.000 1.131 285 R CA 1.535 57.589 56.100 -0.077 0.000 0.955 285 R CB -0.049 30.233 30.300 -0.031 0.000 0.851 285 R HN 0.225 nan 8.270 nan 0.000 0.432 286 K N -0.103 120.264 120.400 -0.056 0.000 2.442 286 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 286 K C 1.699 178.269 176.600 -0.049 0.000 1.042 286 K CA 0.914 57.174 56.287 -0.045 0.000 0.958 286 K CB 0.174 32.654 32.500 -0.032 0.000 0.766 286 K HN 0.271 nan 8.250 nan 0.000 0.474 287 A N 0.918 123.703 122.820 -0.059 0.000 1.909 287 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 287 A C 2.045 179.591 177.584 -0.062 0.000 1.247 287 A CA 0.252 52.256 52.037 -0.055 0.000 0.660 287 A CB -0.216 18.750 19.000 -0.057 0.000 0.910 287 A HN 0.047 nan 8.150 nan 0.000 0.465 288 M N -0.362 119.191 119.600 -0.078 0.000 2.082 288 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 288 M C 2.252 178.492 176.300 -0.102 0.000 1.069 288 M CA 1.863 57.109 55.300 -0.090 0.000 1.102 288 M CB -0.497 32.035 32.600 -0.114 0.000 1.336 288 M HN 0.535 nan 8.290 nan 0.000 0.404 289 L N 0.187 121.344 121.223 -0.111 0.000 2.127 289 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 289 L C 2.490 179.321 176.870 -0.065 0.000 1.089 289 L CA 1.572 56.347 54.840 -0.108 0.000 0.757 289 L CB -0.263 41.741 42.059 -0.091 0.000 0.899 289 L HN 0.316 nan 8.230 nan 0.000 0.434 290 Q N 0.052 119.822 119.800 -0.050 0.000 2.167 290 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 290 Q C 1.672 177.657 176.000 -0.024 0.000 0.970 290 Q CA 2.011 57.795 55.803 -0.032 0.000 0.855 290 Q CB -0.184 28.537 28.738 -0.028 0.000 0.911 290 Q HN 0.544 nan 8.270 nan 0.000 0.438 291 D N 0.182 120.564 120.400 -0.030 0.000 2.084 291 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 291 D C 1.899 178.196 176.300 -0.005 0.000 0.990 291 D CA 1.437 55.426 54.000 -0.017 0.000 0.826 291 D CB -0.292 40.497 40.800 -0.018 0.000 0.971 291 D HN 0.360 nan 8.370 nan 0.000 0.453 292 I N 1.342 121.905 120.570 -0.011 0.000 2.300 292 I HA -0.320 3.850 4.170 -0.000 0.000 0.252 292 I C 2.443 178.571 176.117 0.019 0.000 1.119 292 I CA 1.059 62.367 61.300 0.014 0.000 1.384 292 I CB -0.208 37.790 38.000 -0.004 0.000 1.062 292 I HN -0.056 nan 8.210 nan 0.000 0.426 293 A N 0.446 123.269 122.820 0.005 0.000 1.841 293 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 293 A C 2.378 179.971 177.584 0.015 0.000 1.195 293 A CA 2.337 54.381 52.037 0.012 0.000 0.611 293 A CB -1.104 17.898 19.000 0.003 0.000 0.835 293 A HN 0.364 nan 8.150 nan 0.000 0.443 294 T N 0.739 115.298 114.554 0.008 0.000 2.720 294 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 294 T C 1.829 176.537 174.700 0.013 0.000 1.037 294 T CA 1.294 63.399 62.100 0.009 0.000 1.144 294 T CB -0.357 68.513 68.868 0.003 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.160 123.392 121.223 0.016 0.000 2.131 295 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 295 L C 1.851 178.735 176.870 0.023 0.000 1.092 295 L CA 2.172 57.025 54.840 0.020 0.000 0.759 295 L CB -1.239 40.837 42.059 0.028 0.000 0.903 295 L HN 0.460 nan 8.230 nan 0.000 0.435 296 T N -3.772 110.799 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 -0.000 0.000 0.271 296 T C 1.034 175.755 174.700 0.036 0.000 1.005 296 T CA 0.128 62.247 62.100 0.032 0.000 0.902 296 T CB -0.325 68.570 68.868 0.044 0.000 1.102 296 T HN 0.519 nan 8.240 nan 0.000 0.548 297 G N 0.203 109.020 108.800 0.029 0.000 2.386 297 G HA2 0.138 4.098 3.960 -0.000 0.000 0.295 297 G HA3 0.138 4.098 3.960 -0.000 0.000 0.295 297 G C 0.381 175.305 174.900 0.042 0.000 0.979 297 G CA 0.004 45.123 45.100 0.032 0.000 1.193 297 G HN 1.138 nan 8.290 nan 0.000 0.508 298 G N -1.542 107.280 108.800 0.036 0.000 3.135 298 G HA2 0.924 4.884 3.960 -0.000 0.000 0.278 298 G HA3 0.924 4.884 3.960 -0.000 0.000 0.278 298 G C -0.663 174.251 174.900 0.023 0.000 1.302 298 G CA 0.300 45.422 45.100 0.038 0.000 0.880 298 G HN 0.838 nan 8.290 nan 0.000 0.574 299 T N -0.464 114.101 114.554 0.019 0.000 2.916 299 T HA 0.518 4.868 4.350 -0.000 0.000 0.305 299 T C -0.648 174.056 174.700 0.005 0.000 1.119 299 T CA -0.366 61.740 62.100 0.009 0.000 1.008 299 T CB 1.961 70.833 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.871 122.785 119.914 -0.000 0.000 2.583 300 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 300 V C 0.012 176.104 176.094 -0.004 0.000 1.051 300 V CA -0.443 61.855 62.300 -0.004 0.000 1.010 300 V CB 0.675 32.492 31.823 -0.010 0.000 0.988 300 V HN 0.722 nan 8.190 nan 0.000 0.478 301 I N 5.065 125.633 120.570 -0.003 0.000 2.412 301 I HA 0.329 4.499 4.170 -0.000 0.000 0.279 301 I C 0.308 176.423 176.117 -0.002 0.000 1.063 301 I CA 0.063 61.362 61.300 -0.002 0.000 1.193 301 I CB 0.906 38.906 38.000 -0.001 0.000 1.370 301 I HN 0.724 nan 8.210 nan 0.000 0.479 302 S N 2.702 118.400 115.700 -0.003 0.000 2.621 302 S HA 0.453 4.923 4.470 -0.000 0.000 0.302 302 S C 0.451 175.051 174.600 -0.001 0.000 1.093 302 S CA -0.829 57.370 58.200 -0.002 0.000 1.017 302 S CB 2.157 65.354 63.200 -0.004 0.000 1.077 302 S HN 0.554 nan 8.310 nan 0.000 0.517 303 E N 0.342 120.543 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 303 E C 1.064 177.665 176.600 0.001 0.000 1.030 303 E CA 0.312 56.713 56.400 0.002 0.000 0.869 303 E CB -0.021 29.681 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.453 120.654 120.200 0.000 0.000 2.338 304 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 304 E C 1.419 178.019 176.600 -0.001 0.000 1.007 304 E CA 0.687 57.087 56.400 -0.000 0.000 0.849 304 E CB 0.154 29.853 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.914 119.655 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.362 4.170 -0.000 0.000 0.334 305 I C 0.878 176.994 176.117 -0.001 0.000 1.371 305 I CA 0.029 61.328 61.300 -0.002 0.000 1.110 305 I CB 0.985 38.984 38.000 -0.002 0.000 1.085 305 I HN 0.095 nan 8.210 nan 0.000 0.398 306 G N 2.158 110.957 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G C -0.018 174.881 174.900 -0.001 0.000 1.035 306 G CA -0.337 44.763 45.100 -0.000 0.000 0.744 306 G HN 0.240 nan 8.290 nan 0.000 0.501 307 M N 0.263 119.862 119.600 -0.001 0.000 2.300 307 M HA 0.528 5.008 4.480 -0.000 0.000 0.348 307 M C 0.205 176.504 176.300 -0.001 0.000 1.151 307 M CA -0.231 55.068 55.300 -0.002 0.000 1.046 307 M CB 1.493 34.092 32.600 -0.002 0.000 1.647 307 M HN 0.220 nan 8.290 nan 0.000 0.451 308 E N 2.022 122.221 120.200 -0.002 0.000 2.227 308 E HA 0.329 4.679 4.350 -0.000 0.000 0.268 308 E C 0.203 176.801 176.600 -0.003 0.000 0.907 308 E CA -0.562 55.837 56.400 -0.002 0.000 0.786 308 E CB 2.245 31.944 29.700 -0.002 0.000 1.191 308 E HN 0.682 nan 8.360 nan 0.000 0.411 309 L N 1.603 122.825 121.223 -0.002 0.000 2.456 309 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 309 L C 1.435 178.301 176.870 -0.008 0.000 1.148 309 L CA 0.912 55.749 54.840 -0.004 0.000 0.825 309 L CB -0.198 41.861 42.059 0.001 0.000 0.937 309 L HN 0.522 nan 8.230 nan 0.000 0.450 310 E N 0.347 120.543 120.200 -0.006 0.000 2.158 310 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 310 E C 0.645 177.238 176.600 -0.012 0.000 0.982 310 E CA 0.806 57.201 56.400 -0.009 0.000 0.823 310 E CB 0.122 29.819 29.700 -0.005 0.000 0.766 310 E HN 0.260 nan 8.360 nan 0.000 0.468 311 K N 0.716 121.110 120.400 -0.011 0.000 2.765 311 K HA 0.522 4.842 4.320 -0.000 0.000 0.246 311 K C -0.921 175.670 176.600 -0.015 0.000 1.254 311 K CA -0.236 56.044 56.287 -0.012 0.000 1.219 311 K CB 0.962 33.457 32.500 -0.008 0.000 1.747 311 K HN -0.053 nan 8.250 nan 0.000 0.372 312 A N 1.123 123.930 122.820 -0.022 0.000 2.442 312 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 312 A C 0.230 177.788 177.584 -0.043 0.000 1.058 312 A CA -0.757 51.264 52.037 -0.027 0.000 0.738 312 A CB 0.730 19.715 19.000 -0.025 0.000 1.242 312 A HN 0.376 nan 8.150 nan 0.000 0.421 313 T N 0.070 114.596 114.554 -0.045 0.000 3.018 313 T HA 0.475 4.825 4.350 -0.000 0.000 0.338 313 T C 1.069 175.707 174.700 -0.103 0.000 1.208 313 T CA -0.145 61.917 62.100 -0.064 0.000 0.963 313 T CB 0.034 68.874 68.868 -0.046 0.000 1.697 313 T HN 0.381 nan 8.240 nan 0.000 0.560 314 L N -0.025 121.119 121.223 -0.131 0.000 2.567 314 L HA 0.276 4.616 4.340 -0.000 0.000 0.225 314 L C 2.750 179.565 176.870 -0.092 0.000 1.119 314 L CA 0.475 55.180 54.840 -0.225 0.000 0.871 314 L CB -0.348 41.526 42.059 -0.308 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.526 120.705 120.200 -0.035 0.000 2.170 315 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 315 E C 0.934 177.545 176.600 0.018 0.000 0.981 315 E CA 0.724 57.132 56.400 0.012 0.000 0.830 315 E CB 0.340 30.045 29.700 0.008 0.000 0.775 315 E HN 0.392 nan 8.360 nan 0.000 0.470 316 D N 0.404 120.803 120.400 -0.002 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.212 176.098 176.300 0.018 0.000 1.020 316 D CA 0.315 54.318 54.000 0.005 0.000 0.892 316 D CB 0.238 41.034 40.800 -0.006 0.000 0.900 316 D HN 0.116 nan 8.370 nan 0.000 0.531 317 L N 0.327 121.567 121.223 0.029 0.000 2.343 317 L HA 0.399 4.739 4.340 -0.000 0.000 0.275 317 L C 1.282 178.234 176.870 0.137 0.000 1.056 317 L CA -0.538 54.345 54.840 0.072 0.000 0.804 317 L CB 1.424 43.510 42.059 0.046 0.000 1.203 317 L HN -0.175 nan 8.230 nan 0.000 0.440 318 G N 1.071 109.948 108.800 0.128 0.000 2.572 318 G HA2 0.483 4.443 3.960 -0.000 0.000 0.261 318 G HA3 0.483 4.443 3.960 -0.000 0.000 0.261 318 G C -0.995 173.991 174.900 0.144 0.000 1.197 318 G CA -0.165 45.002 45.100 0.112 0.000 0.870 318 G HN 0.601 nan 8.290 nan 0.000 0.548 319 Q N -0.988 118.855 119.800 0.072 0.000 2.403 319 Q HA 0.552 4.892 4.340 -0.000 0.000 0.267 319 Q C -1.127 174.854 176.000 -0.031 0.000 0.991 319 Q CA -0.722 55.079 55.803 -0.004 0.000 0.906 319 Q CB 1.817 30.531 28.738 -0.040 0.000 1.422 319 Q HN 0.977 nan 8.270 nan 0.000 0.400 320 A N 2.555 125.338 122.820 -0.061 0.000 2.524 320 A HA 0.597 4.917 4.320 -0.000 0.000 0.286 320 A C -0.813 176.729 177.584 -0.071 0.000 1.203 320 A CA -0.644 51.364 52.037 -0.047 0.000 0.736 320 A CB 1.589 20.576 19.000 -0.022 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.519 119.850 120.400 -0.052 0.000 2.387 321 K HA 0.305 4.625 4.320 -0.000 0.000 0.198 321 K C -0.006 176.568 176.600 -0.044 0.000 1.022 321 K CA 0.351 56.606 56.287 -0.054 0.000 1.128 321 K CB 0.347 32.823 32.500 -0.041 0.000 0.853 321 K HN 0.514 nan 8.250 nan 0.000 0.523 322 R N -0.024 120.452 120.500 -0.040 0.000 4.584 322 R HA 0.036 4.376 4.340 -0.000 0.000 0.251 322 R C -2.178 174.104 176.300 -0.029 0.000 0.957 322 R CA -0.478 55.603 56.100 -0.031 0.000 1.195 322 R CB 0.736 31.020 30.300 -0.026 0.000 1.233 322 R HN -0.014 nan 8.270 nan 0.000 0.630 323 V N 0.211 120.109 119.914 -0.027 0.000 3.012 323 V HA 0.892 5.012 4.120 -0.000 0.000 0.307 323 V C -1.232 174.842 176.094 -0.032 0.000 1.166 323 V CA -0.718 61.561 62.300 -0.035 0.000 0.974 323 V CB 2.210 34.015 31.823 -0.030 0.000 1.040 323 V HN 0.427 nan 8.190 nan 0.000 0.428 324 V N 4.459 124.342 119.914 -0.051 0.000 2.914 324 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 324 V C -0.391 175.665 176.094 -0.063 0.000 1.084 324 V CA -0.499 61.778 62.300 -0.037 0.000 0.963 324 V CB 1.988 33.791 31.823 -0.034 0.000 1.025 324 V HN 1.081 nan 8.190 nan 0.000 0.432 325 I N 0.167 120.722 120.570 -0.024 0.000 2.576 325 I HA 0.508 4.678 4.170 -0.000 0.000 0.279 325 I C -0.129 175.980 176.117 -0.015 0.000 1.114 325 I CA -0.581 60.693 61.300 -0.042 0.000 1.076 325 I CB 1.193 39.186 38.000 -0.011 0.000 1.212 325 I HN 0.434 nan 8.210 nan 0.000 0.472 326 N N 4.607 123.250 118.700 -0.095 0.000 2.255 326 N HA 0.013 4.753 4.740 -0.000 0.000 0.260 326 N C 1.041 176.280 175.510 -0.452 0.000 1.288 326 N CA -0.075 52.896 53.050 -0.132 0.000 0.894 326 N CB 0.755 39.177 38.487 -0.108 0.000 1.033 326 N HN 0.679 nan 8.380 nan 0.000 0.477 327 K N 0.358 120.481 120.400 -0.462 0.000 2.148 327 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 327 K C -0.321 175.906 176.600 -0.621 0.000 1.050 327 K CA 1.798 57.613 56.287 -0.786 0.000 0.942 327 K CB 0.005 32.353 32.500 -0.253 0.000 0.724 327 K HN 0.609 nan 8.250 nan 0.000 0.446 328 D N -1.106 119.096 120.400 -0.329 0.000 2.822 328 D HA 0.103 4.743 4.640 -0.000 0.000 0.327 328 D C -1.135 175.087 176.300 -0.130 0.000 1.577 328 D CA -0.482 53.403 54.000 -0.191 0.000 0.785 328 D CB 0.861 41.596 40.800 -0.107 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.128 114.327 114.554 -0.166 0.000 3.293 329 T HA 0.465 4.815 4.350 -0.000 0.000 0.320 329 T C -0.431 174.140 174.700 -0.215 0.000 0.995 329 T CA -0.452 61.557 62.100 -0.153 0.000 1.041 329 T CB 1.949 70.748 68.868 -0.116 0.000 1.058 329 T HN -0.054 nan 8.240 nan 0.000 0.453 330 T N 1.756 116.096 114.554 -0.355 0.000 2.884 330 T HA 0.822 5.172 4.350 -0.000 0.000 0.277 330 T C -0.071 174.315 174.700 -0.524 0.000 0.976 330 T CA -0.566 61.237 62.100 -0.495 0.000 0.956 330 T CB 1.489 69.843 68.868 -0.858 0.000 1.113 330 T HN 0.720 nan 8.240 nan 0.000 0.554 331 T N 0.876 115.165 114.554 -0.443 0.000 4.242 331 T HA 0.319 4.669 4.350 -0.000 0.000 0.422 331 T C -1.609 172.989 174.700 -0.170 0.000 1.136 331 T CA -0.596 61.330 62.100 -0.290 0.000 1.071 331 T CB -0.177 68.582 68.868 -0.182 0.000 1.260 331 T HN 0.452 nan 8.240 nan 0.000 0.453 332 I N 5.764 126.265 120.570 -0.115 0.000 2.353 332 I HA 0.523 4.693 4.170 -0.000 0.000 0.293 332 I C -0.008 176.092 176.117 -0.029 0.000 0.992 332 I CA -0.971 60.305 61.300 -0.040 0.000 1.268 332 I CB 1.462 39.476 38.000 0.023 0.000 1.387 332 I HN 0.564 nan 8.210 nan 0.000 0.478 333 I N 5.361 125.915 120.570 -0.026 0.000 2.389 333 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 333 I C -0.684 175.422 176.117 -0.018 0.000 0.999 333 I CA -0.526 60.760 61.300 -0.023 0.000 1.129 333 I CB 1.439 39.423 38.000 -0.027 0.000 1.288 333 I HN 0.612 nan 8.210 nan 0.000 0.444 334 D N 4.649 125.042 120.400 -0.013 0.000 4.867 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.238 334 D C -0.215 176.078 176.300 -0.012 0.000 1.114 334 D CA 1.192 55.185 54.000 -0.012 0.000 1.283 334 D CB 0.180 40.971 40.800 -0.016 0.000 0.739 334 D HN 0.814 nan 8.370 nan 0.000 0.371 335 G N 1.630 110.427 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.179 176.078 174.900 -0.002 0.000 1.177 335 G CA -0.415 44.684 45.100 -0.001 0.000 0.951 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 V N 1.203 121.116 119.914 -0.001 0.000 2.720 336 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 336 V C 2.176 178.274 176.094 0.008 0.000 1.082 336 V CA 1.115 63.416 62.300 0.002 0.000 1.101 336 V CB -1.273 30.555 31.823 0.007 0.000 0.693 336 V HN 0.848 nan 8.190 nan 0.000 0.479 337 G N 1.197 110.003 108.800 0.011 0.000 2.187 337 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.239 337 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.239 337 G C -0.073 174.831 174.900 0.007 0.000 1.200 337 G CA -0.086 45.020 45.100 0.011 0.000 0.888 337 G HN 0.582 nan 8.290 nan 0.000 0.482 338 E N 1.824 122.028 120.200 0.007 0.000 2.331 338 E HA 0.068 4.418 4.350 -0.000 0.000 0.272 338 E C 0.673 177.275 176.600 0.004 0.000 1.036 338 E CA -0.236 56.167 56.400 0.005 0.000 0.864 338 E CB 1.340 31.043 29.700 0.006 0.000 1.035 338 E HN 0.655 nan 8.360 nan 0.000 0.408 339 E N 1.400 121.602 120.200 0.002 0.000 2.527 339 E HA -0.168 4.182 4.350 -0.000 0.000 0.204 339 E C 0.965 177.566 176.600 0.001 0.000 1.132 339 E CA 0.223 56.624 56.400 0.001 0.000 0.905 339 E CB -0.012 29.688 29.700 0.000 0.000 0.875 339 E HN 0.500 nan 8.360 nan 0.000 0.548 340 A N 1.185 124.006 122.820 0.002 0.000 1.884 340 A HA 0.232 4.552 4.320 -0.000 0.000 0.212 340 A C 2.289 179.874 177.584 0.001 0.000 1.265 340 A CA 0.741 52.779 52.037 0.001 0.000 0.626 340 A CB -0.401 18.600 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.507 122.314 122.820 0.002 0.000 2.121 341 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 341 A C 1.947 179.532 177.584 0.001 0.000 1.154 341 A CA 1.143 53.181 52.037 0.002 0.000 0.679 341 A CB -0.553 18.448 19.000 0.003 0.000 0.795 341 A HN 0.492 nan 8.150 nan 0.000 0.458 342 I N -1.647 118.924 120.570 0.002 0.000 2.429 342 I HA -0.132 4.038 4.170 -0.000 0.000 0.247 342 I C 2.534 178.651 176.117 -0.001 0.000 1.099 342 I CA 1.149 62.450 61.300 0.001 0.000 1.422 342 I CB -0.145 37.857 38.000 0.003 0.000 1.112 342 I HN 0.294 nan 8.210 nan 0.000 0.430 343 Q N 1.246 121.045 119.800 -0.001 0.000 2.364 343 Q HA -0.067 4.273 4.340 -0.000 0.000 0.207 343 Q C 1.857 177.855 176.000 -0.003 0.000 0.970 343 Q CA 1.542 57.344 55.803 -0.002 0.000 0.888 343 Q CB -0.282 28.456 28.738 -0.002 0.000 0.951 343 Q HN 0.469 nan 8.270 nan 0.000 0.469 344 G N -0.575 108.223 108.800 -0.002 0.000 2.459 344 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.213 344 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.213 344 G C 1.520 176.418 174.900 -0.005 0.000 1.155 344 G CA 0.389 45.487 45.100 -0.003 0.000 0.811 344 G HN 0.277 nan 8.290 nan 0.000 0.534 345 R N 0.525 121.023 120.500 -0.005 0.000 2.115 345 R HA 0.036 4.376 4.340 -0.000 0.000 0.230 345 R C 2.373 178.668 176.300 -0.008 0.000 1.111 345 R CA 1.226 57.322 56.100 -0.007 0.000 0.976 345 R CB -0.712 29.584 30.300 -0.006 0.000 0.870 345 R HN 0.205 nan 8.270 nan 0.000 0.445 346 V N 0.586 120.496 119.914 -0.007 0.000 2.358 346 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 346 V C 2.325 178.414 176.094 -0.009 0.000 1.047 346 V CA 1.789 64.084 62.300 -0.008 0.000 1.035 346 V CB -0.866 30.953 31.823 -0.006 0.000 0.658 346 V HN 0.510 nan 8.190 nan 0.000 0.452 347 A N -0.722 122.094 122.820 -0.007 0.000 1.933 347 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 347 A C 2.189 179.768 177.584 -0.009 0.000 1.175 347 A CA 1.809 53.842 52.037 -0.007 0.000 0.628 347 A CB -0.425 18.572 19.000 -0.006 0.000 0.814 347 A HN 0.625 nan 8.150 nan 0.000 0.444 348 Q N -0.648 119.147 119.800 -0.009 0.000 2.119 348 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 348 Q C 1.908 177.899 176.000 -0.014 0.000 0.972 348 Q CA 1.420 57.217 55.803 -0.011 0.000 0.847 348 Q CB -0.231 28.501 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.154 120.407 120.570 -0.015 0.000 2.617 349 I HA -0.151 4.019 4.170 -0.000 0.000 0.256 349 I C 2.365 178.471 176.117 -0.018 0.000 1.167 349 I CA 0.496 61.785 61.300 -0.019 0.000 1.469 349 I CB -0.100 37.887 38.000 -0.021 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.901 121.392 120.500 -0.015 0.000 2.152 350 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 350 R C 2.202 178.495 176.300 -0.012 0.000 1.117 350 R CA 1.314 57.407 56.100 -0.013 0.000 0.981 350 R CB 0.024 30.318 30.300 -0.010 0.000 0.870 350 R HN 0.401 nan 8.270 nan 0.000 0.451 351 Q N -0.859 118.934 119.800 -0.012 0.000 2.250 351 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 351 Q C 1.751 177.743 176.000 -0.012 0.000 0.941 351 Q CA 0.504 56.301 55.803 -0.011 0.000 0.872 351 Q CB 0.396 29.129 28.738 -0.009 0.000 0.965 351 Q HN 0.371 nan 8.270 nan 0.000 0.480 352 Q N 0.398 120.189 119.800 -0.015 0.000 2.248 352 Q HA -0.168 4.172 4.340 -0.000 0.000 0.208 352 Q C 1.916 177.906 176.000 -0.018 0.000 0.984 352 Q CA 1.122 56.914 55.803 -0.018 0.000 0.875 352 Q CB -0.154 28.570 28.738 -0.024 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.721 121.280 120.570 -0.018 0.000 2.617 353 I HA -0.176 3.994 4.170 -0.000 0.000 0.256 353 I C 1.998 178.108 176.117 -0.011 0.000 1.167 353 I CA 0.621 61.911 61.300 -0.017 0.000 1.469 353 I CB -0.192 37.798 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.477 121.672 120.200 -0.010 0.000 2.072 354 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 354 E C 1.177 177.774 176.600 -0.005 0.000 0.982 354 E CA 1.026 57.422 56.400 -0.007 0.000 0.803 354 E CB -0.295 29.401 29.700 -0.006 0.000 0.755 354 E HN 0.582 nan 8.360 nan 0.000 0.453 355 E N 1.129 121.325 120.200 -0.006 0.000 2.301 355 E HA 0.253 4.603 4.350 -0.000 0.000 0.195 355 E C -0.236 176.362 176.600 -0.003 0.000 1.171 355 E CA -0.305 56.093 56.400 -0.004 0.000 1.142 355 E CB 0.237 29.934 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.253 124.071 122.820 -0.003 0.000 2.409 356 A HA 0.147 4.467 4.320 -0.000 0.000 0.267 356 A C 1.257 178.844 177.584 0.005 0.000 1.127 356 A CA -0.195 51.842 52.037 -0.001 0.000 0.795 356 A CB 0.142 19.140 19.000 -0.003 0.000 1.061 356 A HN 0.279 nan 8.150 nan 0.000 0.502 357 T N -0.893 113.667 114.554 0.010 0.000 3.001 357 T HA 0.362 4.712 4.350 -0.000 0.000 0.251 357 T C 0.649 175.362 174.700 0.021 0.000 1.040 357 T CA 0.589 62.697 62.100 0.013 0.000 0.985 357 T CB -0.048 68.827 68.868 0.012 0.000 1.011 357 T HN 0.782 nan 8.240 nan 0.000 0.509 358 S N -0.769 114.949 115.700 0.029 0.000 2.618 358 S HA 0.414 4.884 4.470 -0.000 0.000 0.277 358 S C -0.387 174.245 174.600 0.053 0.000 1.138 358 S CA -0.580 57.647 58.200 0.046 0.000 0.844 358 S CB 1.699 64.939 63.200 0.067 0.000 1.127 358 S HN 0.059 nan 8.310 nan 0.000 0.474 359 D N 0.616 121.057 120.400 0.068 0.000 2.183 359 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 359 D C 1.214 177.572 176.300 0.096 0.000 0.969 359 D CA 1.136 55.176 54.000 0.066 0.000 0.842 359 D CB -0.131 40.708 40.800 0.065 0.000 0.957 359 D HN 0.582 nan 8.370 nan 0.000 0.484 360 Y N 2.162 122.459 120.300 -0.005 0.000 2.092 360 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 360 Y C 1.685 177.577 175.900 -0.014 0.000 1.126 360 Y CA 1.762 59.858 58.100 -0.007 0.000 1.111 360 Y CB -0.472 37.984 38.460 -0.007 0.000 0.987 360 Y HN -0.163 nan 8.280 nan 0.000 0.489 361 D N -0.444 120.004 120.400 0.079 0.000 2.220 361 D HA -0.240 4.400 4.640 -0.000 0.000 0.198 361 D C 2.230 178.484 176.300 -0.077 0.000 1.001 361 D CA 1.712 55.699 54.000 -0.022 0.000 0.875 361 D CB -0.201 40.615 40.800 0.027 0.000 0.921 361 D HN 0.293 nan 8.370 nan 0.000 0.454 362 R N 0.393 120.864 120.500 -0.049 0.000 2.056 362 R HA -0.120 4.220 4.340 -0.000 0.000 0.227 362 R C 1.963 178.211 176.300 -0.087 0.000 1.149 362 R CA 1.100 57.170 56.100 -0.051 0.000 0.937 362 R CB 0.072 30.360 30.300 -0.020 0.000 0.835 362 R HN 0.060 nan 8.270 nan 0.000 0.430 363 E N 1.173 121.309 120.200 -0.106 0.000 2.045 363 E HA -0.252 4.098 4.350 -0.000 0.000 0.212 363 E C 1.667 178.169 176.600 -0.162 0.000 1.039 363 E CA 1.418 57.742 56.400 -0.126 0.000 0.860 363 E CB -0.338 29.273 29.700 -0.148 0.000 0.776 363 E HN 0.215 nan 8.360 nan 0.000 0.467 364 K N 0.605 120.841 120.400 -0.273 0.000 2.589 364 K HA -0.064 4.256 4.320 -0.000 0.000 0.195 364 K C 2.043 178.553 176.600 -0.149 0.000 1.040 364 K CA 0.483 56.624 56.287 -0.243 0.000 0.950 364 K CB -0.262 32.021 32.500 -0.362 0.000 0.781 364 K HN 0.269 nan 8.250 nan 0.000 0.486 365 L N -0.621 120.531 121.223 -0.118 0.000 2.425 365 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 365 L C 2.049 178.885 176.870 -0.058 0.000 1.065 365 L CA 0.261 55.054 54.840 -0.078 0.000 0.842 365 L CB -0.067 41.953 42.059 -0.065 0.000 1.033 365 L HN 0.099 nan 8.230 nan 0.000 0.474 366 Q N 0.075 119.841 119.800 -0.057 0.000 2.297 366 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 366 Q C 1.672 177.650 176.000 -0.036 0.000 0.962 366 Q CA 0.962 56.741 55.803 -0.040 0.000 0.879 366 Q CB 0.222 28.939 28.738 -0.035 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.509 120.681 120.200 -0.047 0.000 2.051 367 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 367 E C 2.017 178.601 176.600 -0.027 0.000 0.979 367 E CA 0.276 56.655 56.400 -0.036 0.000 0.803 367 E CB 0.116 29.788 29.700 -0.046 0.000 0.761 367 E HN 0.178 nan 8.360 nan 0.000 0.451 368 R N 0.714 121.191 120.500 -0.038 0.000 2.105 368 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 368 R C 2.575 178.863 176.300 -0.019 0.000 1.135 368 R CA 1.649 57.731 56.100 -0.030 0.000 0.967 368 R CB -0.390 29.884 30.300 -0.043 0.000 0.861 368 R HN 0.204 nan 8.270 nan 0.000 0.442 369 V N -2.392 117.509 119.914 -0.021 0.000 2.283 369 V HA -0.037 4.083 4.120 -0.000 0.000 0.243 369 V C 2.355 178.444 176.094 -0.009 0.000 1.039 369 V CA 1.479 63.770 62.300 -0.015 0.000 1.016 369 V CB -1.254 30.558 31.823 -0.017 0.000 0.650 369 V HN 0.217 nan 8.190 nan 0.000 0.449 370 A N 1.043 123.857 122.820 -0.010 0.000 1.869 370 A HA -0.323 3.997 4.320 -0.000 0.000 0.218 370 A C 2.322 179.905 177.584 -0.001 0.000 1.203 370 A CA 2.932 54.965 52.037 -0.006 0.000 0.638 370 A CB -0.931 18.064 19.000 -0.008 0.000 0.831 370 A HN 0.628 nan 8.150 nan 0.000 0.450 371 K N -1.375 119.028 120.400 0.005 0.000 2.160 371 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 371 K C 1.723 178.333 176.600 0.017 0.000 1.047 371 K CA 1.440 57.737 56.287 0.016 0.000 0.930 371 K CB -0.248 32.273 32.500 0.034 0.000 0.720 371 K HN 0.405 nan 8.250 nan 0.000 0.450 372 L N -0.772 120.457 121.223 0.011 0.000 2.477 372 L HA 0.115 4.455 4.340 -0.000 0.000 0.220 372 L C 1.690 178.563 176.870 0.004 0.000 1.106 372 L CA 0.774 55.620 54.840 0.010 0.000 0.851 372 L CB 0.259 42.321 42.059 0.005 0.000 0.994 372 L HN 0.029 nan 8.230 nan 0.000 0.462 373 A N -1.334 121.487 122.820 0.001 0.000 1.963 373 A HA 0.348 4.668 4.320 -0.000 0.000 0.207 373 A C 1.821 179.404 177.584 -0.002 0.000 1.243 373 A CA 0.507 52.543 52.037 -0.002 0.000 0.728 373 A CB -0.672 18.325 19.000 -0.004 0.000 0.895 373 A HN 0.315 nan 8.150 nan 0.000 0.467 374 G N 0.282 109.080 108.800 -0.003 0.000 3.474 374 G HA2 0.417 4.377 3.960 -0.000 0.000 0.269 374 G HA3 0.417 4.377 3.960 -0.000 0.000 0.269 374 G C 1.051 175.948 174.900 -0.005 0.000 1.339 374 G CA 0.626 45.723 45.100 -0.004 0.000 1.258 374 G HN 0.798 nan 8.290 nan 0.000 0.560 375 G N 0.170 108.968 108.800 -0.003 0.000 2.998 375 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.855 375 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.855 375 G C 0.138 175.033 174.900 -0.008 0.000 1.032 375 G CA 1.074 46.172 45.100 -0.003 0.000 0.804 375 G HN 0.962 nan 8.290 nan 0.000 0.970 376 V N -0.629 119.278 119.914 -0.011 0.000 2.971 376 V HA 0.708 4.828 4.120 -0.000 0.000 0.309 376 V C 0.385 176.469 176.094 -0.017 0.000 1.130 376 V CA -0.384 61.905 62.300 -0.017 0.000 0.964 376 V CB 1.670 33.480 31.823 -0.021 0.000 1.029 376 V HN 1.438 nan 8.190 nan 0.000 0.427 377 A N 2.590 125.398 122.820 -0.021 0.000 2.309 377 A HA 0.827 5.147 4.320 -0.000 0.000 0.298 377 A C -0.735 176.837 177.584 -0.020 0.000 1.165 377 A CA -0.464 51.562 52.037 -0.019 0.000 0.821 377 A CB 1.159 20.146 19.000 -0.021 0.000 1.102 377 A HN 0.816 nan 8.150 nan 0.000 0.500 378 V N 4.277 124.181 119.914 -0.016 0.000 2.482 378 V HA 0.321 4.441 4.120 -0.000 0.000 0.295 378 V C -0.640 175.447 176.094 -0.012 0.000 1.026 378 V CA -0.111 62.179 62.300 -0.015 0.000 0.856 378 V CB 1.392 33.207 31.823 -0.014 0.000 1.001 378 V HN 0.755 nan 8.190 nan 0.000 0.424 379 I N 5.410 125.974 120.570 -0.011 0.000 2.328 379 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 379 I C 0.088 176.201 176.117 -0.006 0.000 1.012 379 I CA -0.552 60.743 61.300 -0.008 0.000 1.195 379 I CB 1.242 39.237 38.000 -0.007 0.000 1.350 379 I HN 0.443 nan 8.210 nan 0.000 0.464 380 K N 6.168 126.566 120.400 -0.005 0.000 2.266 380 K HA 0.372 4.692 4.320 -0.000 0.000 0.274 380 K C -0.281 176.318 176.600 -0.002 0.000 1.090 380 K CA -0.575 55.710 56.287 -0.003 0.000 0.925 380 K CB 1.260 33.757 32.500 -0.004 0.000 1.225 380 K HN 0.343 nan 8.250 nan 0.000 0.458 381 V N 2.422 122.336 119.914 0.000 0.000 3.083 381 V HA -0.134 3.986 4.120 -0.000 0.000 0.303 381 V C 1.663 177.758 176.094 0.001 0.000 1.151 381 V CA 0.504 62.805 62.300 0.002 0.000 1.275 381 V CB 0.117 31.942 31.823 0.004 0.000 0.950 381 V HN 0.953 nan 8.190 nan 0.000 0.506 382 G N 1.201 110.002 108.800 0.001 0.000 2.393 382 G HA2 0.516 4.476 3.960 -0.000 0.000 0.268 382 G HA3 0.516 4.476 3.960 -0.000 0.000 0.268 382 G C 0.119 175.019 174.900 0.002 0.000 1.472 382 G CA 0.477 45.578 45.100 0.001 0.000 1.059 382 G HN 1.384 nan 8.290 nan 0.000 0.555 383 A N -3.556 119.265 122.820 0.002 0.000 5.519 383 A HA 0.834 5.154 4.320 -0.000 0.000 0.158 383 A C 0.052 177.637 177.584 0.002 0.000 0.860 383 A CA 0.773 52.811 52.037 0.002 0.000 1.134 383 A CB -0.319 18.682 19.000 0.001 0.000 2.248 383 A HN 2.571 nan 8.150 nan 0.000 1.056 384 A N -0.608 122.213 122.820 0.002 0.000 3.033 384 A HA 0.577 4.897 4.320 -0.000 0.000 0.262 384 A C 1.025 178.610 177.584 0.002 0.000 1.301 384 A CA 1.175 53.213 52.037 0.001 0.000 0.727 384 A CB -2.616 16.385 19.000 0.001 0.000 1.094 384 A HN 3.572 nan 8.150 nan 0.000 0.374 385 T N -2.150 112.405 114.554 0.002 0.000 0.541 385 T HA -0.088 4.262 4.350 -0.000 0.000 0.774 385 T C 0.383 175.085 174.700 0.003 0.000 0.992 385 T CA 1.516 63.617 62.100 0.002 0.000 4.077 385 T CB -1.041 67.828 68.868 0.002 0.000 2.303 385 T HN 1.900 nan 8.240 nan 0.000 0.398 386 E N 0.990 121.192 120.200 0.003 0.000 2.085 386 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 386 E C 2.192 178.794 176.600 0.004 0.000 0.994 386 E CA 2.061 58.463 56.400 0.004 0.000 0.801 386 E CB -0.182 29.520 29.700 0.004 0.000 0.743 386 E HN 0.647 nan 8.360 nan 0.000 0.453 387 V N 1.374 121.291 119.914 0.004 0.000 2.332 387 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 387 V C 2.074 178.170 176.094 0.004 0.000 1.055 387 V CA 2.266 64.568 62.300 0.004 0.000 1.038 387 V CB -0.533 31.292 31.823 0.004 0.000 0.651 387 V HN 0.311 nan 8.190 nan 0.000 0.450 388 E N -0.798 119.404 120.200 0.004 0.000 2.158 388 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 388 E C 2.194 178.797 176.600 0.004 0.000 0.982 388 E CA 0.884 57.286 56.400 0.004 0.000 0.823 388 E CB -0.200 29.502 29.700 0.003 0.000 0.766 388 E HN 0.418 nan 8.360 nan 0.000 0.468 389 M N 1.255 120.858 119.600 0.004 0.000 2.117 389 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 389 M C 1.566 177.870 176.300 0.006 0.000 1.065 389 M CA 1.511 56.813 55.300 0.004 0.000 1.114 389 M CB -0.144 32.458 32.600 0.004 0.000 1.361 389 M HN -0.148 nan 8.290 nan 0.000 0.408 390 K N 0.124 120.528 120.400 0.006 0.000 2.439 390 K HA -0.109 4.211 4.320 -0.000 0.000 0.197 390 K C 1.740 178.345 176.600 0.008 0.000 1.041 390 K CA 0.760 57.051 56.287 0.008 0.000 0.970 390 K CB -0.197 32.308 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.958 121.162 120.200 0.007 0.000 2.102 391 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 391 E C 1.878 178.482 176.600 0.008 0.000 0.971 391 E CA 0.465 56.869 56.400 0.007 0.000 0.821 391 E CB 0.280 29.984 29.700 0.006 0.000 0.777 391 E HN 0.079 nan 8.360 nan 0.000 0.460 392 K N 1.156 121.561 120.400 0.007 0.000 2.062 392 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 392 K C 2.239 178.845 176.600 0.010 0.000 1.051 392 K CA 1.159 57.451 56.287 0.008 0.000 0.941 392 K CB 0.015 32.519 32.500 0.006 0.000 0.719 392 K HN -0.088 nan 8.250 nan 0.000 0.440 393 K N 0.350 120.756 120.400 0.010 0.000 2.089 393 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 393 K C 1.895 178.505 176.600 0.017 0.000 1.048 393 K CA 1.575 57.870 56.287 0.012 0.000 0.926 393 K CB -0.205 32.301 32.500 0.011 0.000 0.714 393 K HN 0.212 nan 8.250 nan 0.000 0.448 394 A N 1.453 124.282 122.820 0.016 0.000 1.845 394 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 394 A C 2.057 179.653 177.584 0.021 0.000 1.195 394 A CA 1.610 53.658 52.037 0.018 0.000 0.616 394 A CB -0.577 18.431 19.000 0.013 0.000 0.832 394 A HN 0.372 nan 8.150 nan 0.000 0.443 395 R N -0.619 119.891 120.500 0.016 0.000 2.170 395 R HA -0.106 4.234 4.340 -0.000 0.000 0.242 395 R C 1.914 178.228 176.300 0.023 0.000 1.145 395 R CA 1.313 57.423 56.100 0.017 0.000 0.984 395 R CB -0.572 29.735 30.300 0.012 0.000 0.869 395 R HN 0.424 nan 8.270 nan 0.000 0.455 396 V N 0.987 120.915 119.914 0.023 0.000 2.283 396 V HA -0.200 3.920 4.120 -0.000 0.000 0.243 396 V C 1.984 178.102 176.094 0.040 0.000 1.039 396 V CA 1.706 64.020 62.300 0.025 0.000 1.016 396 V CB -0.336 31.497 31.823 0.017 0.000 0.650 396 V HN 0.315 nan 8.190 nan 0.000 0.449 397 E N 0.480 120.711 120.200 0.052 0.000 2.049 397 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 397 E C 2.310 178.997 176.600 0.145 0.000 1.007 397 E CA 1.548 58.007 56.400 0.097 0.000 0.809 397 E CB -0.426 29.332 29.700 0.098 0.000 0.749 397 E HN 0.580 nan 8.360 nan 0.000 0.450 398 A N 1.403 124.276 122.820 0.088 0.000 1.908 398 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 398 A C 2.355 179.993 177.584 0.089 0.000 1.181 398 A CA 1.974 54.052 52.037 0.069 0.000 0.627 398 A CB -0.783 18.232 19.000 0.024 0.000 0.818 398 A HN 0.316 nan 8.150 nan 0.000 0.445 399 A N -0.261 122.597 122.820 0.064 0.000 1.832 399 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 399 A C 2.128 179.747 177.584 0.057 0.000 1.200 399 A CA 1.750 53.817 52.037 0.050 0.000 0.610 399 A CB -0.958 18.061 19.000 0.030 0.000 0.842 399 A HN 0.975 nan 8.150 nan 0.000 0.444 400 L N -0.308 120.942 121.223 0.044 0.000 2.010 400 L HA -0.298 4.042 4.340 -0.000 0.000 0.219 400 L C 2.272 179.149 176.870 0.013 0.000 1.077 400 L CA 2.839 57.687 54.840 0.012 0.000 0.773 400 L CB -1.211 40.840 42.059 -0.014 0.000 0.892 400 L HN 0.578 nan 8.230 nan 0.000 0.436 401 H N -0.173 118.897 119.070 -0.000 0.000 2.287 401 H HA -0.204 4.352 4.556 -0.000 0.000 0.292 401 H C 2.084 177.414 175.328 0.003 0.000 1.068 401 H CA 2.250 58.299 56.048 0.001 0.000 1.192 401 H CB -0.615 29.149 29.762 0.002 0.000 1.360 401 H HN 0.534 nan 8.280 nan 0.000 0.516 402 A N 0.038 122.961 122.820 0.173 0.000 1.997 402 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 402 A C 2.685 180.303 177.584 0.057 0.000 1.172 402 A CA 2.378 54.471 52.037 0.093 0.000 0.645 402 A CB -1.051 17.986 19.000 0.062 0.000 0.813 402 A HN 0.522 nan 8.150 nan 0.000 0.454 403 T N -0.871 113.710 114.554 0.044 0.000 2.614 403 T HA -0.154 4.196 4.350 -0.000 0.000 0.263 403 T C 2.167 176.874 174.700 0.013 0.000 1.055 403 T CA 1.374 63.487 62.100 0.021 0.000 1.162 403 T CB -0.277 68.598 68.868 0.011 0.000 0.863 403 T HN 0.363 nan 8.240 nan 0.000 0.414 404 R N 1.247 121.747 120.500 -0.000 0.000 2.159 404 R HA -0.114 4.226 4.340 -0.000 0.000 0.252 404 R C 2.401 178.705 176.300 0.005 0.000 1.144 404 R CA 1.961 58.053 56.100 -0.013 0.000 0.961 404 R CB -1.216 29.055 30.300 -0.049 0.000 0.877 404 R HN 0.456 nan 8.270 nan 0.000 0.444 405 A N -0.533 122.302 122.820 0.026 0.000 2.216 405 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 405 A C 2.049 179.647 177.584 0.023 0.000 1.160 405 A CA 1.463 53.520 52.037 0.032 0.000 0.725 405 A CB -0.241 18.792 19.000 0.054 0.000 0.784 405 A HN 0.423 nan 8.150 nan 0.000 0.472 406 A N -0.907 121.925 122.820 0.019 0.000 1.942 406 A HA 0.225 4.545 4.320 -0.000 0.000 0.209 406 A C 2.012 179.602 177.584 0.010 0.000 1.214 406 A CA 1.008 53.054 52.037 0.015 0.000 0.686 406 A CB -0.595 18.415 19.000 0.015 0.000 0.871 406 A HN 0.282 nan 8.150 nan 0.000 0.460 407 V N 0.720 120.638 119.914 0.007 0.000 2.324 407 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 407 V C 2.390 178.485 176.094 0.003 0.000 1.060 407 V CA 2.499 64.801 62.300 0.003 0.000 1.042 407 V CB -0.873 30.949 31.823 -0.001 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.044 120.159 120.200 0.004 0.000 2.006 408 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 408 E C 1.550 178.153 176.600 0.004 0.000 0.993 408 E CA 1.370 57.773 56.400 0.004 0.000 0.808 408 E CB -0.048 29.656 29.700 0.006 0.000 0.764 408 E HN 0.654 nan 8.360 nan 0.000 0.449 409 E N -0.179 120.025 120.200 0.006 0.000 2.685 409 E HA 0.249 4.599 4.350 -0.000 0.000 0.208 409 E C 0.114 176.718 176.600 0.006 0.000 0.996 409 E CA -0.009 56.393 56.400 0.004 0.000 1.054 409 E CB 1.206 30.907 29.700 0.002 0.000 1.075 409 E HN 0.328 nan 8.360 nan 0.000 0.460 410 G N 1.057 109.861 108.800 0.007 0.000 2.598 410 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 410 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 410 G C -0.226 174.681 174.900 0.011 0.000 1.302 410 G CA -0.301 44.804 45.100 0.009 0.000 0.903 410 G HN 0.627 nan 8.290 nan 0.000 0.575 411 V N -3.035 116.886 119.914 0.012 0.000 3.114 411 V HA 0.971 5.091 4.120 -0.000 0.000 0.308 411 V C -0.109 175.995 176.094 0.015 0.000 1.168 411 V CA 0.360 62.668 62.300 0.014 0.000 1.015 411 V CB 1.487 33.319 31.823 0.015 0.000 1.050 411 V HN 2.624 nan 8.190 nan 0.000 0.433 412 V N 2.177 122.101 119.914 0.017 0.000 3.178 412 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 412 V C 0.469 176.576 176.094 0.021 0.000 1.262 412 V CA -0.256 62.056 62.300 0.019 0.000 1.030 412 V CB 1.879 33.712 31.823 0.017 0.000 1.074 412 V HN 2.640 nan 8.190 nan 0.000 0.438 413 A N 3.557 126.393 122.820 0.026 0.000 2.500 413 A HA 0.420 4.740 4.320 -0.000 0.000 0.281 413 A C 1.035 178.634 177.584 0.024 0.000 1.092 413 A CA 1.068 53.122 52.037 0.029 0.000 0.909 413 A CB -1.330 17.692 19.000 0.038 0.000 0.958 413 A HN 2.075 nan 8.150 nan 0.000 0.535 414 G N 1.368 110.180 108.800 0.021 0.000 2.486 414 G HA2 0.519 4.479 3.960 -0.000 0.000 0.272 414 G HA3 0.519 4.479 3.960 -0.000 0.000 0.272 414 G C 1.240 176.152 174.900 0.019 0.000 1.426 414 G CA -0.067 45.044 45.100 0.018 0.000 1.058 414 G HN 2.218 nan 8.290 nan 0.000 0.531 415 G N -2.318 106.492 108.800 0.017 0.000 2.249 415 G HA2 0.228 4.188 3.960 -0.000 0.000 0.273 415 G HA3 0.228 4.188 3.960 -0.000 0.000 0.273 415 G C 1.490 176.400 174.900 0.017 0.000 1.036 415 G CA 1.134 46.246 45.100 0.020 0.000 0.824 415 G HN 2.498 nan 8.290 nan 0.000 0.504 416 G N -2.784 106.022 108.800 0.011 0.000 2.241 416 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.244 416 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.244 416 G C 1.953 176.857 174.900 0.007 0.000 0.998 416 G CA 1.819 46.922 45.100 0.004 0.000 0.621 416 G HN 2.051 nan 8.290 nan 0.000 0.519 417 V N -0.852 119.072 119.914 0.015 0.000 2.270 417 V HA 0.286 4.406 4.120 -0.000 0.000 0.245 417 V C 3.098 179.206 176.094 0.022 0.000 1.043 417 V CA 2.341 64.653 62.300 0.020 0.000 1.014 417 V CB -1.761 30.078 31.823 0.027 0.000 0.645 417 V HN 1.715 nan 8.190 nan 0.000 0.447 418 A N 1.559 124.392 122.820 0.022 0.000 1.900 418 A HA -0.298 4.022 4.320 -0.000 0.000 0.225 418 A C 2.283 179.878 177.584 0.018 0.000 1.414 418 A CA 3.200 55.249 52.037 0.021 0.000 0.702 418 A CB -1.129 17.881 19.000 0.017 0.000 0.845 418 A HN 0.634 nan 8.150 nan 0.000 0.478 419 L N -0.966 120.265 121.223 0.013 0.000 2.005 419 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 419 L C 2.618 179.495 176.870 0.012 0.000 1.072 419 L CA 1.637 56.483 54.840 0.011 0.000 0.744 419 L CB -0.782 41.281 42.059 0.007 0.000 0.895 419 L HN 0.442 nan 8.230 nan 0.000 0.433 420 I N -0.297 120.281 120.570 0.012 0.000 2.315 420 I HA -0.301 3.869 4.170 -0.000 0.000 0.251 420 I C 2.814 178.944 176.117 0.022 0.000 1.125 420 I CA 0.925 62.233 61.300 0.014 0.000 1.392 420 I CB -0.452 37.556 38.000 0.013 0.000 1.065 420 I HN 0.280 nan 8.210 nan 0.000 0.424 421 R N 1.513 122.029 120.500 0.027 0.000 2.082 421 R HA -0.113 4.227 4.340 -0.000 0.000 0.228 421 R C 2.194 178.509 176.300 0.025 0.000 1.140 421 R CA 1.874 57.994 56.100 0.034 0.000 0.920 421 R CB -1.121 29.203 30.300 0.039 0.000 0.828 421 R HN 0.096 nan 8.270 nan 0.000 0.430 422 V N 1.255 121.181 119.914 0.020 0.000 2.218 422 V HA -0.346 3.774 4.120 -0.000 0.000 0.251 422 V C 2.265 178.366 176.094 0.012 0.000 1.057 422 V CA 2.618 64.927 62.300 0.014 0.000 1.022 422 V CB -1.256 30.573 31.823 0.010 0.000 0.645 422 V HN 0.630 nan 8.190 nan 0.000 0.451 423 A N 0.220 123.047 122.820 0.011 0.000 2.245 423 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 423 A C 2.320 179.910 177.584 0.011 0.000 1.171 423 A CA 2.107 54.150 52.037 0.009 0.000 0.688 423 A CB -0.627 18.377 19.000 0.007 0.000 0.781 423 A HN 0.806 nan 8.150 nan 0.000 0.479 424 S N -1.090 114.619 115.700 0.015 0.000 2.486 424 S HA 0.054 4.524 4.470 -0.000 0.000 0.220 424 S C 1.669 176.278 174.600 0.014 0.000 1.011 424 S CA 0.677 58.887 58.200 0.016 0.000 0.921 424 S CB -0.014 63.200 63.200 0.024 0.000 0.785 424 S HN 0.620 nan 8.310 nan 0.000 0.517 425 K N 1.464 121.872 120.400 0.014 0.000 2.021 425 K HA 0.261 4.581 4.320 -0.000 0.000 0.205 425 K C 1.287 177.892 176.600 0.008 0.000 1.047 425 K CA 0.796 57.089 56.287 0.011 0.000 0.943 425 K CB -0.466 32.041 32.500 0.011 0.000 0.725 425 K HN 0.299 nan 8.250 nan 0.000 0.439 426 L N 1.750 122.977 121.223 0.007 0.000 2.955 426 L HA -0.058 4.282 4.340 -0.000 0.000 0.260 426 L C 1.755 178.628 176.870 0.004 0.000 1.146 426 L CA -0.307 54.535 54.840 0.005 0.000 0.905 426 L CB -0.774 41.287 42.059 0.004 0.000 1.136 426 L HN 0.207 nan 8.230 nan 0.000 0.438 427 A N -0.645 122.178 122.820 0.005 0.000 2.172 427 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 427 A C 1.764 179.350 177.584 0.003 0.000 1.154 427 A CA 1.197 53.236 52.037 0.004 0.000 0.701 427 A CB -0.156 18.848 19.000 0.005 0.000 0.789 427 A HN 0.396 nan 8.150 nan 0.000 0.465 428 D N -1.193 119.208 120.400 0.003 0.000 2.389 428 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 428 D C 0.339 176.640 176.300 0.001 0.000 1.055 428 D CA -0.225 53.776 54.000 0.002 0.000 0.856 428 D CB 0.030 40.831 40.800 0.002 0.000 0.957 428 D HN 0.345 nan 8.370 nan 0.000 0.509 429 L N 2.264 123.487 121.223 0.001 0.000 2.578 429 L HA -0.001 4.339 4.340 -0.000 0.000 0.279 429 L C 0.179 177.049 176.870 0.001 0.000 1.227 429 L CA 0.777 55.617 54.840 0.001 0.000 0.900 429 L CB 0.059 42.119 42.059 0.001 0.000 1.144 429 L HN -0.155 nan 8.230 nan 0.000 0.496 430 R N 3.129 123.629 120.500 0.000 0.000 2.817 430 R HA 0.714 5.054 4.340 -0.000 0.000 0.268 430 R C -0.256 176.043 176.300 -0.001 0.000 1.027 430 R CA -0.343 55.757 56.100 -0.000 0.000 0.928 430 R CB 1.516 31.816 30.300 -0.000 0.000 1.228 430 R HN 0.798 nan 8.270 nan 0.000 0.469 431 G N -0.347 108.452 108.800 -0.001 0.000 3.212 431 G HA2 0.221 4.181 3.960 -0.000 0.000 0.188 431 G HA3 0.221 4.181 3.960 -0.000 0.000 0.188 431 G C 0.041 174.941 174.900 -0.001 0.000 1.254 431 G CA -0.198 44.901 45.100 -0.001 0.000 0.957 431 G HN 0.418 nan 8.290 nan 0.000 0.596 432 Q N -0.391 119.409 119.800 -0.001 0.000 2.204 432 Q HA 0.103 4.443 4.340 -0.000 0.000 0.198 432 Q C -0.080 175.919 176.000 -0.002 0.000 0.946 432 Q CA 0.718 56.520 55.803 -0.002 0.000 0.859 432 Q CB 0.121 28.858 28.738 -0.002 0.000 0.946 432 Q HN 0.588 nan 8.270 nan 0.000 0.474 433 N N -1.509 117.190 118.700 -0.002 0.000 2.321 433 N HA 0.402 5.142 4.740 -0.000 0.000 0.290 433 N C -0.048 175.461 175.510 -0.002 0.000 1.212 433 N CA -0.029 53.020 53.050 -0.002 0.000 0.767 433 N CB 0.729 39.214 38.487 -0.002 0.000 1.494 433 N HN -0.074 nan 8.380 nan 0.000 0.479 434 A N 0.457 123.277 122.820 -0.001 0.000 1.915 434 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 434 A C 1.025 178.609 177.584 -0.001 0.000 1.198 434 A CA 2.072 54.108 52.037 -0.001 0.000 0.647 434 A CB -1.002 17.997 19.000 -0.001 0.000 0.825 434 A HN 0.758 nan 8.150 nan 0.000 0.456 435 D N -1.189 119.210 120.400 -0.002 0.000 2.411 435 D HA -0.066 4.574 4.640 -0.000 0.000 0.226 435 D C 1.673 177.972 176.300 -0.001 0.000 0.988 435 D CA 1.017 55.017 54.000 -0.002 0.000 0.938 435 D CB -0.043 40.756 40.800 -0.002 0.000 0.883 435 D HN 0.733 nan 8.370 nan 0.000 0.525 436 Q N -1.000 118.799 119.800 -0.001 0.000 2.404 436 Q HA 0.094 4.434 4.340 -0.000 0.000 0.262 436 Q C 1.396 177.396 176.000 -0.001 0.000 0.846 436 Q CA -0.215 55.587 55.803 -0.001 0.000 0.978 436 Q CB 0.532 29.269 28.738 -0.001 0.000 1.156 436 Q HN 0.033 nan 8.270 nan 0.000 0.548 437 N N 0.152 118.852 118.700 -0.001 0.000 2.166 437 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 437 N C 1.662 177.172 175.510 0.000 0.000 1.019 437 N CA 1.040 54.090 53.050 -0.000 0.000 0.856 437 N CB 0.041 38.528 38.487 -0.000 0.000 0.993 437 N HN 0.047 nan 8.380 nan 0.000 0.426 438 V N 0.686 120.600 119.914 -0.000 0.000 2.548 438 V HA -0.061 4.059 4.120 -0.000 0.000 0.249 438 V C 2.313 178.407 176.094 0.000 0.000 1.055 438 V CA 1.710 64.010 62.300 0.000 0.000 1.065 438 V CB -0.988 30.835 31.823 -0.000 0.000 0.681 438 V HN 0.314 nan 8.190 nan 0.000 0.462 439 G N -0.429 108.371 108.800 0.000 0.000 2.498 439 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 439 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 439 G C 1.409 176.309 174.900 0.001 0.000 1.119 439 G CA 0.802 45.902 45.100 0.001 0.000 0.766 439 G HN 0.512 nan 8.290 nan 0.000 0.552 440 I N -0.474 120.097 120.570 0.001 0.000 2.522 440 I HA 0.045 4.215 4.170 -0.000 0.000 0.240 440 I C 2.422 178.540 176.117 0.001 0.000 1.078 440 I CA 0.228 61.528 61.300 0.001 0.000 1.422 440 I CB -0.125 37.875 38.000 0.000 0.000 1.188 440 I HN -0.161 nan 8.210 nan 0.000 0.442 441 K N 1.007 121.408 120.400 0.001 0.000 2.127 441 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 441 K C 2.079 178.680 176.600 0.001 0.000 1.050 441 K CA 1.236 57.523 56.287 0.001 0.000 0.929 441 K CB -1.040 31.461 32.500 0.001 0.000 0.715 441 K HN 0.195 nan 8.250 nan 0.000 0.457 442 V N 1.222 121.137 119.914 0.001 0.000 2.295 442 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 442 V C 2.402 178.497 176.094 0.002 0.000 1.049 442 V CA 2.062 64.363 62.300 0.002 0.000 1.024 442 V CB -0.721 31.103 31.823 0.002 0.000 0.648 442 V HN 0.377 nan 8.190 nan 0.000 0.447 443 A N -0.924 121.897 122.820 0.002 0.000 2.070 443 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 443 A C 2.125 179.710 177.584 0.003 0.000 1.159 443 A CA 1.494 53.533 52.037 0.003 0.000 0.656 443 A CB -0.346 18.655 19.000 0.002 0.000 0.800 443 A HN 0.543 nan 8.150 nan 0.000 0.453 444 L N -1.662 119.562 121.223 0.002 0.000 2.071 444 L HA 0.010 4.350 4.340 -0.000 0.000 0.201 444 L C 2.613 179.485 176.870 0.002 0.000 1.076 444 L CA 1.147 55.989 54.840 0.003 0.000 0.755 444 L CB -0.578 41.483 42.059 0.003 0.000 0.915 444 L HN 0.360 nan 8.230 nan 0.000 0.445 445 R N 0.938 121.439 120.500 0.002 0.000 2.211 445 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 445 R C 1.687 177.987 176.300 -0.000 0.000 1.144 445 R CA 1.314 57.414 56.100 0.001 0.000 0.992 445 R CB -0.096 30.204 30.300 0.000 0.000 0.869 445 R HN 0.381 nan 8.270 nan 0.000 0.462 446 A N -0.413 122.407 122.820 0.001 0.000 2.307 446 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 446 A C 1.449 179.034 177.584 0.002 0.000 1.228 446 A CA 0.005 52.043 52.037 0.001 0.000 0.857 446 A CB 0.071 19.073 19.000 0.003 0.000 0.897 446 A HN 0.321 nan 8.150 nan 0.000 0.495 447 M N -1.463 118.138 119.600 0.002 0.000 2.414 447 M HA 0.129 4.609 4.480 -0.000 0.000 0.251 447 M C 1.054 177.354 176.300 -0.000 0.000 1.116 447 M CA 0.381 55.682 55.300 0.002 0.000 1.056 447 M CB 0.214 32.816 32.600 0.004 0.000 1.388 447 M HN 0.326 nan 8.290 nan 0.000 0.487 448 E N 1.108 121.306 120.200 -0.002 0.000 2.511 448 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 448 E C 1.775 178.367 176.600 -0.013 0.000 1.066 448 E CA 0.234 56.629 56.400 -0.007 0.000 0.871 448 E CB 0.153 29.849 29.700 -0.007 0.000 0.863 448 E HN 0.464 nan 8.360 nan 0.000 0.520 449 A N 2.161 124.975 122.820 -0.009 0.000 1.825 449 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 449 A C -0.378 177.197 177.584 -0.015 0.000 1.206 449 A CA 0.790 52.820 52.037 -0.011 0.000 0.609 449 A CB -1.517 17.480 19.000 -0.006 0.000 0.851 449 A HN 0.077 nan 8.150 nan 0.000 0.445 450 P HA -0.221 nan 4.420 nan 0.000 0.219 450 P C 1.676 178.963 177.300 -0.020 0.000 1.158 450 P CA 1.524 64.618 63.100 -0.010 0.000 0.895 450 P CB -0.079 31.619 31.700 -0.003 0.000 0.792 451 L N -0.753 120.455 121.223 -0.025 0.000 1.961 451 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 451 L C 2.406 179.236 176.870 -0.067 0.000 1.075 451 L CA 1.759 56.572 54.840 -0.045 0.000 0.749 451 L CB -0.888 41.144 42.059 -0.045 0.000 0.890 451 L HN -0.286 nan 8.230 nan 0.000 0.433 452 R N -1.000 119.464 120.500 -0.060 0.000 2.257 452 R HA -0.305 4.035 4.340 -0.000 0.000 0.265 452 R C 2.226 178.489 176.300 -0.062 0.000 1.191 452 R CA 1.863 57.924 56.100 -0.065 0.000 1.010 452 R CB -0.310 29.965 30.300 -0.042 0.000 0.883 452 R HN 0.489 nan 8.270 nan 0.000 0.473 453 Q N 0.506 120.277 119.800 -0.048 0.000 2.013 453 Q HA 0.001 4.341 4.340 -0.000 0.000 0.195 453 Q C 1.880 177.852 176.000 -0.045 0.000 0.974 453 Q CA 1.401 57.181 55.803 -0.039 0.000 0.826 453 Q CB -0.054 28.670 28.738 -0.024 0.000 0.895 453 Q HN 0.329 nan 8.270 nan 0.000 0.448 454 I N -0.000 120.543 120.570 -0.044 0.000 2.315 454 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 454 I C 1.918 177.996 176.117 -0.065 0.000 1.125 454 I CA 0.844 62.121 61.300 -0.039 0.000 1.392 454 I CB -0.564 37.422 38.000 -0.023 0.000 1.065 454 I HN 0.019 nan 8.210 nan 0.000 0.424 455 V N 0.884 120.725 119.914 -0.122 0.000 2.913 455 V HA -0.196 3.924 4.120 -0.000 0.000 0.260 455 V C 2.214 178.240 176.094 -0.113 0.000 1.098 455 V CA 1.277 63.461 62.300 -0.193 0.000 1.121 455 V CB -0.312 31.343 31.823 -0.281 0.000 0.714 455 V HN 0.364 nan 8.190 nan 0.000 0.487 456 L N 0.227 121.406 121.223 -0.074 0.000 2.249 456 L HA 0.170 4.510 4.340 -0.000 0.000 0.207 456 L C 1.817 178.668 176.870 -0.030 0.000 1.090 456 L CA 1.364 56.176 54.840 -0.047 0.000 0.802 456 L CB -0.496 41.540 42.059 -0.038 0.000 0.947 456 L HN 0.263 nan 8.230 nan 0.000 0.453 457 N N -1.235 117.449 118.700 -0.026 0.000 2.567 457 N HA -0.055 4.685 4.740 -0.000 0.000 0.195 457 N C 0.623 176.128 175.510 -0.008 0.000 1.242 457 N CA 0.705 53.747 53.050 -0.014 0.000 0.884 457 N CB -0.362 38.119 38.487 -0.011 0.000 1.007 457 N HN 0.380 nan 8.380 nan 0.000 0.450 458 C N -1.597 117.696 119.300 -0.012 0.000 3.525 458 C HA 0.396 4.856 4.460 -0.000 0.000 0.289 458 C C 1.627 176.617 174.990 -0.001 0.000 1.496 458 C CA -0.370 58.649 59.018 0.002 0.000 1.804 458 C CB -0.423 27.329 27.740 0.020 0.000 2.708 458 C HN 0.471 nan 8.230 nan 0.000 0.642 459 G N 1.795 110.589 108.800 -0.010 0.000 2.180 459 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 459 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 459 G C -0.248 174.646 174.900 -0.009 0.000 0.989 459 G CA 0.557 45.653 45.100 -0.008 0.000 0.692 459 G HN 0.577 nan 8.290 nan 0.000 0.526 460 E N 0.966 121.153 120.200 -0.020 0.000 2.156 460 E HA 0.278 4.628 4.350 -0.000 0.000 0.279 460 E C 0.437 177.007 176.600 -0.050 0.000 0.965 460 E CA -0.533 55.852 56.400 -0.025 0.000 0.789 460 E CB 0.765 30.450 29.700 -0.026 0.000 1.098 460 E HN 0.579 nan 8.360 nan 0.000 0.397 461 E N 4.257 124.440 120.200 -0.029 0.000 2.757 461 E HA -0.097 4.253 4.350 -0.000 0.000 0.238 461 E C -1.560 175.006 176.600 -0.057 0.000 1.057 461 E CA -0.815 55.566 56.400 -0.031 0.000 0.952 461 E CB 0.222 29.916 29.700 -0.010 0.000 0.934 461 E HN 0.209 nan 8.360 nan 0.000 0.518 462 P HA -0.141 nan 4.420 nan 0.000 0.219 462 P C 1.024 178.289 177.300 -0.059 0.000 1.150 462 P CA 0.819 63.865 63.100 -0.090 0.000 0.814 462 P CB 0.309 31.965 31.700 -0.074 0.000 0.787 463 S N -0.315 115.364 115.700 -0.035 0.000 2.390 463 S HA -0.181 4.289 4.470 -0.000 0.000 0.234 463 S C 1.923 176.516 174.600 -0.012 0.000 1.063 463 S CA 1.887 60.076 58.200 -0.019 0.000 1.108 463 S CB -1.589 61.605 63.200 -0.011 0.000 0.975 463 S HN -0.004 nan 8.310 nan 0.000 0.442 464 V N 1.236 121.145 119.914 -0.007 0.000 2.278 464 V HA -0.073 4.047 4.120 -0.000 0.000 0.238 464 V C 2.351 178.461 176.094 0.027 0.000 1.039 464 V CA 1.214 63.524 62.300 0.017 0.000 1.017 464 V CB -1.009 30.836 31.823 0.038 0.000 0.657 464 V HN 0.360 nan 8.190 nan 0.000 0.462 465 V N 0.762 120.678 119.914 0.004 0.000 2.353 465 V HA -0.399 3.721 4.120 -0.000 0.000 0.260 465 V C 2.607 178.706 176.094 0.007 0.000 1.091 465 V CA 2.491 64.785 62.300 -0.010 0.000 1.088 465 V CB -1.352 30.246 31.823 -0.374 0.000 0.672 465 V HN 0.594 nan 8.190 nan 0.000 0.455 466 A N 0.232 123.033 122.820 -0.032 0.000 1.832 466 A HA -0.234 4.086 4.320 -0.000 0.000 0.214 466 A C 2.055 179.647 177.584 0.014 0.000 1.204 466 A CA 1.856 53.883 52.037 -0.016 0.000 0.606 466 A CB -0.899 18.085 19.000 -0.028 0.000 0.849 466 A HN 0.609 nan 8.150 nan 0.000 0.445 467 N N -0.539 118.169 118.700 0.013 0.000 2.096 467 N HA -0.193 4.547 4.740 -0.000 0.000 0.195 467 N C 1.606 177.133 175.510 0.029 0.000 1.017 467 N CA 2.750 55.811 53.050 0.018 0.000 0.870 467 N CB -0.521 37.975 38.487 0.015 0.000 1.024 467 N HN 0.387 nan 8.380 nan 0.000 0.434 468 T N -0.836 113.740 114.554 0.036 0.000 2.812 468 T HA -0.010 4.340 4.350 -0.000 0.000 0.264 468 T C 1.827 176.548 174.700 0.036 0.000 1.042 468 T CA 1.111 63.220 62.100 0.015 0.000 1.140 468 T CB -0.233 68.611 68.868 -0.040 0.000 0.870 468 T HN 0.073 nan 8.240 nan 0.000 0.445 469 V N 1.411 121.353 119.914 0.047 0.000 2.626 469 V HA -0.123 3.997 4.120 -0.000 0.000 0.252 469 V C 2.387 178.533 176.094 0.087 0.000 1.067 469 V CA 1.431 63.746 62.300 0.025 0.000 1.081 469 V CB -0.448 31.390 31.823 0.025 0.000 0.686 469 V HN 0.447 nan 8.190 nan 0.000 0.468 470 K N 0.438 120.877 120.400 0.065 0.000 2.031 470 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 470 K C 2.003 178.645 176.600 0.070 0.000 1.049 470 K CA 1.200 57.522 56.287 0.059 0.000 0.939 470 K CB -0.557 31.964 32.500 0.035 0.000 0.717 470 K HN 0.531 nan 8.250 nan 0.000 0.438 471 G N 0.689 109.529 108.800 0.066 0.000 2.959 471 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.203 471 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.203 471 G C 0.441 175.375 174.900 0.058 0.000 1.176 471 G CA 0.652 45.783 45.100 0.050 0.000 0.860 471 G HN 0.372 nan 8.290 nan 0.000 0.507 472 G N -0.459 108.405 108.800 0.107 0.000 3.291 472 G HA2 0.616 4.576 3.960 -0.000 0.000 0.173 472 G HA3 0.616 4.576 3.960 -0.000 0.000 0.173 472 G C -1.277 173.667 174.900 0.073 0.000 1.099 472 G CA 0.149 45.294 45.100 0.075 0.000 0.794 472 G HN 0.404 nan 8.290 nan 0.000 0.651 473 D N -3.059 117.399 120.400 0.097 0.000 2.913 473 D HA 0.520 5.160 4.640 -0.000 0.000 0.293 473 D C 0.405 176.762 176.300 0.094 0.000 1.238 473 D CA 0.674 54.720 54.000 0.078 0.000 0.738 473 D CB 0.345 41.162 40.800 0.029 0.000 1.254 473 D HN 1.952 nan 8.370 nan 0.000 0.429 474 G N 0.176 109.020 108.800 0.074 0.000 2.553 474 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 474 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 474 G C -0.177 174.784 174.900 0.102 0.000 1.277 474 G CA 0.054 45.198 45.100 0.074 0.000 0.910 474 G HN 0.793 nan 8.290 nan 0.000 0.576 475 N N 0.048 118.812 118.700 0.105 0.000 2.322 475 N HA 0.189 4.929 4.740 -0.000 0.000 0.216 475 N C 0.052 175.658 175.510 0.160 0.000 1.144 475 N CA -0.158 52.955 53.050 0.105 0.000 0.830 475 N CB 0.187 38.719 38.487 0.076 0.000 1.034 475 N HN 0.486 nan 8.380 nan 0.000 0.484 476 Y N 1.428 121.757 120.300 0.048 0.000 2.537 476 Y HA 0.317 4.867 4.550 -0.000 0.000 0.339 476 Y C 0.561 176.524 175.900 0.106 0.000 1.066 476 Y CA -0.229 57.912 58.100 0.067 0.000 1.357 476 Y CB 0.092 38.578 38.460 0.045 0.000 1.175 476 Y HN -0.028 nan 8.280 nan 0.000 0.525 477 G N 4.562 113.265 108.800 -0.162 0.000 3.247 477 G HA2 0.311 4.270 3.960 -0.000 0.000 0.226 477 G HA3 0.311 4.270 3.960 -0.000 0.000 0.226 477 G C -2.226 172.642 174.900 -0.054 0.000 1.220 477 G CA -0.878 44.142 45.100 -0.134 0.000 0.875 477 G HN 0.602 nan 8.290 nan 0.000 0.606 478 Y N 0.930 121.148 120.300 -0.137 0.000 2.346 478 Y HA 0.549 5.099 4.550 -0.000 0.000 0.332 478 Y C -0.566 175.207 175.900 -0.212 0.000 0.985 478 Y CA -1.189 56.739 58.100 -0.287 0.000 1.112 478 Y CB 1.759 40.002 38.460 -0.360 0.000 1.170 478 Y HN 0.442 nan 8.280 nan 0.000 0.447 479 N N 4.494 122.923 118.700 -0.452 0.000 2.411 479 N HA 0.195 4.935 4.740 -0.000 0.000 0.259 479 N C 0.557 175.879 175.510 -0.313 0.000 1.103 479 N CA 0.774 53.661 53.050 -0.272 0.000 0.954 479 N CB 1.783 40.118 38.487 -0.254 0.000 1.085 479 N HN 0.978 nan 8.380 nan 0.000 0.485 480 A N 4.593 127.430 122.820 0.028 0.000 1.858 480 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 480 A C 2.075 179.670 177.584 0.018 0.000 1.190 480 A CA 2.032 54.161 52.037 0.153 0.000 0.617 480 A CB -1.044 18.019 19.000 0.105 0.000 0.827 480 A HN 0.758 nan 8.150 nan 0.000 0.443 481 A N -0.443 122.357 122.820 -0.033 0.000 1.851 481 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 481 A C 2.481 180.015 177.584 -0.083 0.000 1.195 481 A CA 2.910 54.920 52.037 -0.044 0.000 0.622 481 A CB -1.512 17.465 19.000 -0.037 0.000 0.831 481 A HN 0.892 nan 8.150 nan 0.000 0.444 482 T N -3.528 110.943 114.554 -0.137 0.000 3.055 482 T HA 0.029 4.379 4.350 -0.000 0.000 0.265 482 T C 0.543 175.110 174.700 -0.222 0.000 1.111 482 T CA 1.102 63.108 62.100 -0.155 0.000 1.118 482 T CB -0.384 68.393 68.868 -0.151 0.000 0.909 482 T HN 0.597 nan 8.240 nan 0.000 0.501 483 E N 0.516 120.498 120.200 -0.363 0.000 2.971 483 E HA -0.128 4.222 4.350 -0.000 0.000 0.278 483 E C -0.799 175.442 176.600 -0.598 0.000 1.009 483 E CA 0.775 56.897 56.400 -0.464 0.000 0.862 483 E CB -1.144 28.471 29.700 -0.143 0.000 1.436 483 E HN 0.691 nan 8.360 nan 0.000 0.434 484 E N -0.462 119.338 120.200 -0.666 0.000 2.314 484 E HA 0.388 4.738 4.350 -0.000 0.000 0.272 484 E C -0.245 176.050 176.600 -0.509 0.000 0.884 484 E CA -0.622 55.510 56.400 -0.447 0.000 0.753 484 E CB 0.997 30.591 29.700 -0.176 0.000 1.213 484 E HN -0.018 nan 8.360 nan 0.000 0.432 485 Y N 0.532 120.713 120.300 -0.198 0.000 2.314 485 Y HA 0.575 5.125 4.550 -0.000 0.000 0.359 485 Y C 1.535 177.427 175.900 -0.013 0.000 1.360 485 Y CA 0.808 58.824 58.100 -0.140 0.000 1.697 485 Y CB 0.477 38.888 38.460 -0.082 0.000 1.630 485 Y HN 0.729 nan 8.280 nan 0.000 0.583 486 G N -0.320 108.653 108.800 0.288 0.000 2.293 486 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.282 486 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.282 486 G C -1.607 173.442 174.900 0.250 0.000 1.299 486 G CA -0.996 44.279 45.100 0.292 0.000 1.018 486 G HN 0.643 nan 8.290 nan 0.000 0.478 487 N N 1.273 120.075 118.700 0.170 0.000 2.401 487 N HA 0.154 4.894 4.740 -0.000 0.000 0.255 487 N C 1.893 177.449 175.510 0.076 0.000 1.110 487 N CA -0.437 52.690 53.050 0.130 0.000 0.949 487 N CB 0.603 39.145 38.487 0.092 0.000 1.110 487 N HN 0.434 nan 8.380 nan 0.000 0.490 488 M N 3.393 123.034 119.600 0.068 0.000 2.202 488 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 488 M C 1.512 177.830 176.300 0.031 0.000 1.063 488 M CA 0.982 56.304 55.300 0.037 0.000 1.097 488 M CB -0.458 32.163 32.600 0.035 0.000 1.382 488 M HN 0.546 nan 8.290 nan 0.000 0.413 489 I N 0.215 120.808 120.570 0.038 0.000 2.233 489 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 489 I C 1.901 178.032 176.117 0.024 0.000 1.093 489 I CA 1.278 62.595 61.300 0.029 0.000 1.380 489 I CB -1.342 36.676 38.000 0.030 0.000 1.067 489 I HN 0.223 nan 8.210 nan 0.000 0.413 490 D N 0.800 121.216 120.400 0.028 0.000 2.117 490 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 490 D C 2.189 178.499 176.300 0.016 0.000 0.987 490 D CA 1.096 55.109 54.000 0.022 0.000 0.829 490 D CB -0.149 40.667 40.800 0.027 0.000 0.961 490 D HN 0.294 nan 8.370 nan 0.000 0.460 491 M N -0.327 119.282 119.600 0.016 0.000 2.700 491 M HA 0.046 4.526 4.480 -0.000 0.000 0.249 491 M C 1.059 177.359 176.300 0.000 0.000 1.082 491 M CA 0.743 56.045 55.300 0.003 0.000 1.077 491 M CB -0.030 32.567 32.600 -0.005 0.000 1.477 491 M HN 0.082 nan 8.290 nan 0.000 0.529 492 G N 1.978 110.782 108.800 0.006 0.000 2.160 492 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G C 0.029 174.932 174.900 0.005 0.000 1.008 492 G CA -0.150 44.953 45.100 0.005 0.000 0.724 492 G HN 0.540 nan 8.290 nan 0.000 0.514 493 I N 0.837 121.411 120.570 0.007 0.000 2.347 493 I HA 0.564 4.734 4.170 -0.000 0.000 0.283 493 I C 0.167 176.292 176.117 0.014 0.000 1.058 493 I CA -0.808 60.496 61.300 0.008 0.000 1.202 493 I CB 0.548 38.550 38.000 0.005 0.000 1.386 493 I HN 0.259 nan 8.210 nan 0.000 0.475 494 L N 3.682 124.913 121.223 0.014 0.000 2.710 494 L HA 0.712 5.052 4.340 -0.000 0.000 0.260 494 L C -1.692 175.187 176.870 0.016 0.000 0.993 494 L CA -0.806 54.044 54.840 0.016 0.000 0.877 494 L CB 1.816 43.885 42.059 0.017 0.000 1.461 494 L HN 0.098 nan 8.230 nan 0.000 0.413 495 D N -0.206 120.204 120.400 0.017 0.000 2.619 495 D HA 0.511 5.151 4.640 -0.000 0.000 0.241 495 D C -2.812 173.499 176.300 0.018 0.000 1.087 495 D CA -1.256 52.755 54.000 0.017 0.000 0.851 495 D CB 2.207 43.017 40.800 0.017 0.000 1.474 495 D HN 0.348 nan 8.370 nan 0.000 0.478 496 P HA -0.017 nan 4.420 nan 0.000 0.267 496 P C 0.883 178.193 177.300 0.017 0.000 1.195 496 P CA 0.177 63.290 63.100 0.021 0.000 0.773 496 P CB 0.613 32.329 31.700 0.027 0.000 0.837 497 T N 0.944 115.506 114.554 0.014 0.000 2.812 497 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 497 T C 1.639 176.344 174.700 0.007 0.000 1.042 497 T CA 1.067 63.173 62.100 0.010 0.000 1.140 497 T CB -0.378 68.494 68.868 0.007 0.000 0.870 497 T HN 0.480 nan 8.240 nan 0.000 0.445 498 K N 0.934 121.339 120.400 0.009 0.000 2.049 498 K HA -0.233 4.087 4.320 -0.000 0.000 0.219 498 K C 2.390 178.995 176.600 0.009 0.000 1.056 498 K CA 2.251 58.543 56.287 0.008 0.000 0.946 498 K CB -0.657 31.854 32.500 0.019 0.000 0.723 498 K HN 0.311 nan 8.250 nan 0.000 0.453 499 V N -0.177 119.749 119.914 0.021 0.000 2.261 499 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 499 V C 1.793 177.898 176.094 0.019 0.000 1.047 499 V CA 2.601 64.917 62.300 0.027 0.000 1.015 499 V CB -1.112 30.729 31.823 0.030 0.000 0.642 499 V HN 0.442 nan 8.190 nan 0.000 0.446 500 T N 0.110 114.672 114.554 0.013 0.000 2.946 500 T HA -0.166 4.184 4.350 -0.000 0.000 0.271 500 T C 1.802 176.502 174.700 0.000 0.000 1.104 500 T CA 2.018 64.124 62.100 0.010 0.000 1.114 500 T CB -0.392 68.481 68.868 0.009 0.000 0.867 500 T HN 0.697 nan 8.240 nan 0.000 0.513 501 R N 0.890 121.384 120.500 -0.010 0.000 2.046 501 R HA -0.002 4.338 4.340 -0.000 0.000 0.223 501 R C 2.647 178.913 176.300 -0.056 0.000 1.179 501 R CA 1.327 57.408 56.100 -0.032 0.000 0.952 501 R CB -0.533 29.744 30.300 -0.039 0.000 0.843 501 R HN 0.148 nan 8.270 nan 0.000 0.439 502 S N 0.878 116.539 115.700 -0.066 0.000 2.393 502 S HA -0.313 4.157 4.470 -0.000 0.000 0.235 502 S C 2.043 176.631 174.600 -0.021 0.000 1.061 502 S CA 1.815 59.949 58.200 -0.110 0.000 1.129 502 S CB -0.636 62.569 63.200 0.008 0.000 1.011 502 S HN 0.618 nan 8.310 nan 0.000 0.436 503 A N 0.708 123.558 122.820 0.050 0.000 1.948 503 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 503 A C 2.133 179.747 177.584 0.050 0.000 1.177 503 A CA 1.751 53.835 52.037 0.079 0.000 0.636 503 A CB -0.632 18.400 19.000 0.054 0.000 0.815 503 A HN 0.442 nan 8.150 nan 0.000 0.449 504 L N -0.483 120.745 121.223 0.009 0.000 2.156 504 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 504 L C 2.380 179.243 176.870 -0.011 0.000 1.095 504 L CA 1.958 56.799 54.840 0.001 0.000 0.770 504 L CB -0.525 41.528 42.059 -0.009 0.000 0.914 504 L HN 0.505 nan 8.230 nan 0.000 0.439 505 Q N -1.706 118.057 119.800 -0.062 0.000 2.008 505 Q HA -0.166 4.174 4.340 -0.000 0.000 0.196 505 Q C 2.190 178.175 176.000 -0.026 0.000 0.973 505 Q CA 1.655 57.399 55.803 -0.099 0.000 0.826 505 Q CB -0.476 28.123 28.738 -0.232 0.000 0.894 505 Q HN 0.415 nan 8.270 nan 0.000 0.439 506 Y N 1.048 121.350 120.300 0.003 0.000 2.151 506 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 506 Y C 2.475 178.376 175.900 0.001 0.000 1.166 506 Y CA 0.993 59.094 58.100 0.002 0.000 1.163 506 Y CB -1.000 37.461 38.460 0.002 0.000 0.974 506 Y HN 0.185 nan 8.280 nan 0.000 0.511 507 A N -0.044 122.872 122.820 0.160 0.000 1.883 507 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 507 A C 2.537 180.160 177.584 0.065 0.000 1.186 507 A CA 2.195 54.286 52.037 0.089 0.000 0.624 507 A CB -1.292 17.744 19.000 0.059 0.000 0.822 507 A HN 0.413 nan 8.150 nan 0.000 0.444 508 A N -0.707 122.145 122.820 0.053 0.000 1.858 508 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 508 A C 2.458 180.069 177.584 0.044 0.000 1.190 508 A CA 2.338 54.396 52.037 0.035 0.000 0.617 508 A CB -1.249 17.761 19.000 0.016 0.000 0.827 508 A HN 0.689 nan 8.150 nan 0.000 0.443 509 S N -0.579 115.161 115.700 0.067 0.000 2.404 509 S HA -0.226 4.244 4.470 -0.000 0.000 0.230 509 S C 1.909 176.542 174.600 0.056 0.000 1.046 509 S CA 2.384 60.628 58.200 0.073 0.000 1.135 509 S CB -0.924 62.358 63.200 0.136 0.000 1.056 509 S HN 0.391 nan 8.310 nan 0.000 0.426 510 V N 2.798 122.749 119.914 0.061 0.000 2.215 510 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 510 V C 2.937 179.046 176.094 0.026 0.000 1.054 510 V CA 2.398 64.720 62.300 0.037 0.000 1.012 510 V CB -1.695 30.146 31.823 0.031 0.000 0.639 510 V HN 0.743 nan 8.190 nan 0.000 0.448 511 A N 0.209 123.044 122.820 0.026 0.000 1.954 511 A HA -0.284 4.036 4.320 -0.000 0.000 0.222 511 A C 2.347 179.940 177.584 0.014 0.000 1.199 511 A CA 2.692 54.739 52.037 0.017 0.000 0.657 511 A CB -1.529 17.482 19.000 0.017 0.000 0.823 511 A HN 0.661 nan 8.150 nan 0.000 0.463 512 G N -0.170 108.640 108.800 0.017 0.000 2.587 512 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 512 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 512 G C 1.514 176.420 174.900 0.010 0.000 1.240 512 G CA 1.186 46.294 45.100 0.013 0.000 0.794 512 G HN 0.498 nan 8.290 nan 0.000 0.580 513 L N -0.196 121.035 121.223 0.013 0.000 2.030 513 L HA -0.277 4.063 4.340 -0.000 0.000 0.222 513 L C 3.149 180.021 176.870 0.004 0.000 1.082 513 L CA 1.952 56.797 54.840 0.009 0.000 0.785 513 L CB -0.610 41.457 42.059 0.012 0.000 0.895 513 L HN 0.273 nan 8.230 nan 0.000 0.439 514 M N -0.560 119.042 119.600 0.004 0.000 2.159 514 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 514 M C 2.214 178.512 176.300 -0.003 0.000 1.063 514 M CA 1.761 57.059 55.300 -0.002 0.000 1.110 514 M CB -0.348 32.251 32.600 -0.001 0.000 1.374 514 M HN 0.235 nan 8.290 nan 0.000 0.411 515 I N -0.427 120.143 120.570 0.000 0.000 2.830 515 I HA -0.140 4.030 4.170 -0.000 0.000 0.263 515 I C 1.294 177.409 176.117 -0.002 0.000 1.230 515 I CA 0.972 62.271 61.300 -0.001 0.000 1.480 515 I CB -0.559 37.442 38.000 0.001 0.000 1.095 515 I HN 0.325 nan 8.210 nan 0.000 0.455 516 T N -2.530 112.023 114.554 -0.002 0.000 3.268 516 T HA 0.283 4.633 4.350 -0.000 0.000 0.258 516 T C 0.194 174.891 174.700 -0.004 0.000 0.966 516 T CA -0.409 61.689 62.100 -0.003 0.000 0.952 516 T CB -0.199 68.668 68.868 -0.002 0.000 1.132 516 T HN -0.107 nan 8.240 nan 0.000 0.536 517 T N 1.431 115.982 114.554 -0.005 0.000 2.829 517 T HA 0.463 4.813 4.350 -0.000 0.000 0.280 517 T C 0.270 174.970 174.700 -0.000 0.000 0.999 517 T CA -0.646 61.452 62.100 -0.004 0.000 0.983 517 T CB 2.156 71.017 68.868 -0.011 0.000 0.968 517 T HN 0.088 nan 8.240 nan 0.000 0.446 518 E N 0.316 120.522 120.200 0.011 0.000 2.541 518 E HA 0.191 4.541 4.350 -0.000 0.000 0.219 518 E C -0.070 176.607 176.600 0.127 0.000 0.922 518 E CA 0.112 56.531 56.400 0.031 0.000 1.095 518 E CB 0.934 30.623 29.700 -0.018 0.000 1.112 518 E HN 0.545 nan 8.360 nan 0.000 0.516 519 C N 1.064 120.438 119.300 0.123 0.000 2.686 519 C HA 0.672 5.132 4.460 -0.000 0.000 0.318 519 C C -1.249 173.766 174.990 0.042 0.000 1.160 519 C CA -0.575 58.584 59.018 0.235 0.000 1.396 519 C CB 0.305 28.269 27.740 0.373 0.000 1.924 519 C HN 0.109 nan 8.230 nan 0.000 0.471 520 M N 5.408 124.954 119.600 -0.090 0.000 2.326 520 M HA 0.558 5.038 4.480 -0.000 0.000 0.306 520 M C -1.149 175.088 176.300 -0.106 0.000 1.054 520 M CA -0.629 54.562 55.300 -0.182 0.000 0.922 520 M CB 2.102 34.408 32.600 -0.491 0.000 1.632 520 M HN 0.353 nan 8.290 nan 0.000 0.436 521 V N 1.788 121.717 119.914 0.026 0.000 2.380 521 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 521 V C -0.344 175.836 176.094 0.143 0.000 1.015 521 V CA -0.315 62.040 62.300 0.091 0.000 0.834 521 V CB 1.747 33.608 31.823 0.063 0.000 1.009 521 V HN 0.971 nan 8.190 nan 0.000 0.428 522 T N 2.417 117.100 114.554 0.215 0.000 2.887 522 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 522 T C -0.531 174.189 174.700 0.034 0.000 1.087 522 T CA -0.478 61.700 62.100 0.130 0.000 1.009 522 T CB 1.777 70.742 68.868 0.162 0.000 1.203 522 T HN 0.632 nan 8.240 nan 0.000 0.518 523 D N 0.978 121.375 120.400 -0.004 0.000 2.354 523 D HA 0.298 4.938 4.640 -0.000 0.000 0.238 523 D C -0.249 176.009 176.300 -0.071 0.000 1.250 523 D CA -0.049 53.934 54.000 -0.029 0.000 0.911 523 D CB 0.265 41.048 40.800 -0.028 0.000 1.163 523 D HN 0.184 nan 8.370 nan 0.000 0.456 524 L N 2.293 123.478 121.223 -0.063 0.000 2.350 524 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 524 L C -1.764 175.052 176.870 -0.090 0.000 1.099 524 L CA -1.898 52.893 54.840 -0.083 0.000 0.808 524 L CB 0.779 42.805 42.059 -0.055 0.000 1.149 524 L HN 0.315 nan 8.230 nan 0.000 0.442 525 P HA -0.063 nan 4.420 nan 0.000 0.311 525 P C -0.852 176.407 177.300 -0.068 0.000 1.543 525 P CA 0.757 63.797 63.100 -0.101 0.000 0.766 525 P CB -0.229 31.402 31.700 -0.116 0.000 1.711 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543