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 1kp8_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG 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 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 3 A N 1.343 124.163 122.820 0.000 0.000 2.531 3 A HA 0.511 4.831 4.320 -0.000 0.000 0.236 3 A C 0.252 177.839 177.584 0.004 0.000 1.062 3 A CA 0.457 52.499 52.037 0.007 0.000 0.760 3 A CB -0.089 18.918 19.000 0.012 0.000 0.995 3 A HN 0.613 nan 8.150 nan 0.000 0.501 4 K N 1.224 121.631 120.400 0.013 0.000 2.185 4 K HA 0.438 4.758 4.320 -0.000 0.000 0.240 4 K C -1.056 175.571 176.600 0.044 0.000 0.983 4 K CA -0.698 55.596 56.287 0.012 0.000 0.873 4 K CB 1.511 34.017 32.500 0.009 0.000 1.118 4 K HN 0.754 nan 8.250 nan 0.000 0.441 5 D N 0.862 121.302 120.400 0.066 0.000 2.256 5 D HA 0.389 5.029 4.640 -0.000 0.000 0.246 5 D C -1.279 175.165 176.300 0.240 0.000 1.042 5 D CA -0.603 53.500 54.000 0.172 0.000 0.841 5 D CB 1.439 42.391 40.800 0.252 0.000 1.223 5 D HN 0.047 nan 8.370 nan 0.000 0.470 6 V N 3.974 123.994 119.914 0.176 0.000 2.531 6 V HA 0.458 4.578 4.120 -0.000 0.000 0.301 6 V C -0.007 176.030 176.094 -0.095 0.000 1.034 6 V CA -0.794 61.530 62.300 0.041 0.000 0.865 6 V CB 1.896 33.706 31.823 -0.021 0.000 0.995 6 V HN 0.406 nan 8.190 nan 0.000 0.424 7 K N 3.528 123.753 120.400 -0.292 0.000 2.318 7 K HA 0.785 5.105 4.320 -0.000 0.000 0.249 7 K C -1.598 174.718 176.600 -0.474 0.000 0.942 7 K CA -0.508 55.556 56.287 -0.373 0.000 0.808 7 K CB 2.539 34.625 32.500 -0.690 0.000 1.189 7 K HN 0.460 nan 8.250 nan 0.000 0.428 8 F N -0.239 119.655 119.950 -0.093 0.000 2.611 8 F HA 0.413 4.940 4.527 -0.000 0.000 0.324 8 F C 1.300 177.067 175.800 -0.056 0.000 1.061 8 F CA -0.129 57.840 58.000 -0.051 0.000 0.954 8 F CB 1.543 40.524 39.000 -0.032 0.000 1.301 8 F HN 0.801 nan 8.300 nan 0.000 0.482 9 G N 1.605 110.513 108.800 0.180 0.000 2.648 9 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.357 9 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.357 9 G C 1.264 176.184 174.900 0.033 0.000 1.342 9 G CA 0.951 46.102 45.100 0.086 0.000 0.978 9 G HN 0.729 nan 8.290 nan 0.000 0.532 10 N N 0.743 119.456 118.700 0.021 0.000 2.069 10 N HA -0.175 4.565 4.740 -0.000 0.000 0.196 10 N C 1.783 177.280 175.510 -0.022 0.000 1.024 10 N CA 2.134 55.184 53.050 0.000 0.000 0.869 10 N CB -0.429 38.058 38.487 -0.001 0.000 1.035 10 N HN 0.549 nan 8.380 nan 0.000 0.434 11 D N 0.425 120.806 120.400 -0.031 0.000 2.104 11 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 11 D C 1.842 178.057 176.300 -0.142 0.000 0.994 11 D CA 1.266 55.215 54.000 -0.085 0.000 0.830 11 D CB -0.407 40.336 40.800 -0.095 0.000 0.959 11 D HN 0.322 nan 8.370 nan 0.000 0.452 12 A N 0.658 123.398 122.820 -0.133 0.000 1.873 12 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 12 A C 2.398 179.949 177.584 -0.055 0.000 1.186 12 A CA 2.075 54.027 52.037 -0.142 0.000 0.616 12 A CB -1.144 17.796 19.000 -0.100 0.000 0.823 12 A HN 0.295 nan 8.150 nan 0.000 0.442 13 G N 0.112 108.895 108.800 -0.028 0.000 2.476 13 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 13 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 13 G C 1.663 176.560 174.900 -0.006 0.000 1.164 13 G CA 2.378 47.474 45.100 -0.007 0.000 0.768 13 G HN 1.111 nan 8.290 nan 0.000 0.560 14 V N -1.411 118.493 119.914 -0.016 0.000 2.490 14 V HA -0.027 4.093 4.120 -0.000 0.000 0.250 14 V C 2.479 178.572 176.094 -0.001 0.000 1.061 14 V CA 2.138 64.432 62.300 -0.010 0.000 1.064 14 V CB -0.406 31.408 31.823 -0.016 0.000 0.670 14 V HN 0.106 nan 8.190 nan 0.000 0.461 15 K N 0.130 120.526 120.400 -0.007 0.000 2.031 15 K HA 0.072 4.392 4.320 -0.000 0.000 0.205 15 K C 2.230 178.863 176.600 0.054 0.000 1.049 15 K CA 1.947 58.253 56.287 0.032 0.000 0.939 15 K CB -0.542 31.987 32.500 0.049 0.000 0.717 15 K HN 0.514 nan 8.250 nan 0.000 0.438 16 M N 0.433 120.062 119.600 0.047 0.000 2.086 16 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 16 M C 2.238 178.556 176.300 0.030 0.000 1.067 16 M CA 1.201 56.529 55.300 0.046 0.000 1.116 16 M CB -0.384 32.239 32.600 0.038 0.000 1.348 16 M HN 0.025 nan 8.290 nan 0.000 0.407 17 L N 0.593 121.829 121.223 0.022 0.000 2.012 17 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 17 L C 2.489 179.369 176.870 0.016 0.000 1.073 17 L CA 1.974 56.823 54.840 0.016 0.000 0.748 17 L CB -0.717 41.349 42.059 0.011 0.000 0.891 17 L HN 0.159 nan 8.230 nan 0.000 0.431 18 R N -0.005 120.506 120.500 0.018 0.000 2.091 18 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 18 R C 2.185 178.497 176.300 0.019 0.000 1.136 18 R CA 1.825 57.936 56.100 0.018 0.000 0.959 18 R CB -1.446 28.866 30.300 0.021 0.000 0.856 18 R HN 0.466 nan 8.270 nan 0.000 0.437 19 G N -0.002 108.813 108.800 0.026 0.000 2.421 19 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 19 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 19 G C 1.491 176.399 174.900 0.014 0.000 1.171 19 G CA 1.280 46.393 45.100 0.022 0.000 0.775 19 G HN 0.388 nan 8.290 nan 0.000 0.543 20 V N 0.073 119.996 119.914 0.015 0.000 2.515 20 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 20 V C 2.246 178.345 176.094 0.009 0.000 1.058 20 V CA 2.315 64.622 62.300 0.012 0.000 1.064 20 V CB -0.584 31.247 31.823 0.013 0.000 0.675 20 V HN 0.205 nan 8.190 nan 0.000 0.461 21 N N 0.912 119.617 118.700 0.010 0.000 2.120 21 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 21 N C 1.826 177.339 175.510 0.005 0.000 1.024 21 N CA 1.829 54.883 53.050 0.007 0.000 0.852 21 N CB -0.625 37.867 38.487 0.007 0.000 1.003 21 N HN 0.504 nan 8.380 nan 0.000 0.424 22 V N 1.521 121.439 119.914 0.005 0.000 2.295 22 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 22 V C 2.403 178.497 176.094 -0.000 0.000 1.049 22 V CA 1.152 63.453 62.300 0.002 0.000 1.024 22 V CB -0.575 31.250 31.823 0.003 0.000 0.648 22 V HN 0.207 nan 8.190 nan 0.000 0.447 23 L N 0.726 121.949 121.223 -0.000 0.000 1.994 23 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 23 L C 2.463 179.332 176.870 -0.002 0.000 1.071 23 L CA 2.467 57.305 54.840 -0.003 0.000 0.745 23 L CB -0.780 41.278 42.059 -0.003 0.000 0.892 23 L HN 0.209 nan 8.230 nan 0.000 0.431 24 A N -0.720 122.101 122.820 0.001 0.000 1.902 24 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 24 A C 1.973 179.558 177.584 0.001 0.000 1.181 24 A CA 1.916 53.954 52.037 0.002 0.000 0.623 24 A CB -0.905 18.098 19.000 0.005 0.000 0.818 24 A HN 0.584 nan 8.150 nan 0.000 0.443 25 D N 0.051 120.452 120.400 0.001 0.000 2.144 25 D HA -0.027 4.612 4.640 -0.000 0.000 0.199 25 D C 2.168 178.467 176.300 -0.002 0.000 0.984 25 D CA 1.426 55.425 54.000 -0.000 0.000 0.834 25 D CB -0.357 40.443 40.800 0.000 0.000 0.955 25 D HN 0.442 nan 8.370 nan 0.000 0.465 26 A N 0.414 123.232 122.820 -0.003 0.000 1.897 26 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 26 A C 2.494 180.075 177.584 -0.006 0.000 1.181 26 A CA 0.915 52.949 52.037 -0.005 0.000 0.620 26 A CB -0.586 18.410 19.000 -0.007 0.000 0.821 26 A HN 0.133 nan 8.150 nan 0.000 0.443 27 V N 1.437 121.347 119.914 -0.006 0.000 2.323 27 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 27 V C 2.527 178.618 176.094 -0.005 0.000 1.041 27 V CA 2.222 64.518 62.300 -0.007 0.000 1.025 27 V CB -0.708 31.111 31.823 -0.007 0.000 0.656 27 V HN 0.841 nan 8.190 nan 0.000 0.451 28 K N 1.452 121.850 120.400 -0.002 0.000 2.362 28 K HA -0.097 4.223 4.320 -0.000 0.000 0.200 28 K C 1.778 178.377 176.600 -0.001 0.000 1.046 28 K CA 1.671 57.957 56.287 -0.001 0.000 0.952 28 K CB -0.626 31.875 32.500 0.001 0.000 0.753 28 K HN 0.503 nan 8.250 nan 0.000 0.466 29 V N -0.149 119.764 119.914 -0.003 0.000 3.141 29 V HA -0.109 4.011 4.120 -0.000 0.000 0.265 29 V C 2.018 178.110 176.094 -0.003 0.000 1.126 29 V CA 1.624 63.922 62.300 -0.002 0.000 1.141 29 V CB -0.977 30.844 31.823 -0.003 0.000 0.743 29 V HN 0.531 nan 8.190 nan 0.000 0.492 30 T N -2.211 112.340 114.554 -0.005 0.000 3.086 30 T HA 0.295 4.645 4.350 -0.000 0.000 0.250 30 T C 0.470 175.166 174.700 -0.006 0.000 1.074 30 T CA -0.137 61.959 62.100 -0.006 0.000 0.988 30 T CB -0.143 68.719 68.868 -0.009 0.000 0.988 30 T HN 0.381 nan 8.240 nan 0.000 0.530 31 L N 2.714 123.935 121.223 -0.003 0.000 2.410 31 L HA 0.565 4.905 4.340 -0.000 0.000 0.273 31 L C 0.759 177.628 176.870 -0.001 0.000 1.152 31 L CA 1.486 56.325 54.840 -0.002 0.000 0.855 31 L CB -0.457 41.603 42.059 0.001 0.000 1.129 31 L HN 0.659 nan 8.230 nan 0.000 0.463 32 G N 4.498 113.295 108.800 -0.004 0.000 2.795 32 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.664 32 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.664 32 G C -1.732 173.161 174.900 -0.011 0.000 1.381 32 G CA -0.316 44.780 45.100 -0.006 0.000 0.853 32 G HN 0.644 nan 8.290 nan 0.000 0.545 33 P HA -0.092 nan 4.420 nan 0.000 0.217 33 P C 0.949 178.238 177.300 -0.018 0.000 1.148 33 P CA 1.524 64.610 63.100 -0.024 0.000 0.828 33 P CB 0.067 31.743 31.700 -0.039 0.000 0.783 34 K N 0.111 120.504 120.400 -0.011 0.000 2.493 34 K HA 0.253 4.572 4.320 -0.000 0.000 0.207 34 K C 1.074 177.673 176.600 -0.003 0.000 1.033 34 K CA -0.212 56.072 56.287 -0.006 0.000 1.161 34 K CB 0.090 32.592 32.500 0.003 0.000 0.873 34 K HN 0.074 nan 8.250 nan 0.000 0.491 35 G N 1.631 110.428 108.800 -0.005 0.000 2.484 35 G HA2 0.022 3.982 3.960 -0.000 0.000 0.235 35 G HA3 0.022 3.982 3.960 -0.000 0.000 0.235 35 G C 0.158 175.055 174.900 -0.005 0.000 1.282 35 G CA -0.310 44.788 45.100 -0.004 0.000 0.857 35 G HN 0.078 nan 8.290 nan 0.000 0.571 36 R N 0.923 121.421 120.500 -0.004 0.000 2.607 36 R HA 0.221 4.561 4.340 -0.000 0.000 0.261 36 R C 0.079 176.376 176.300 -0.006 0.000 1.051 36 R CA -0.787 55.311 56.100 -0.004 0.000 1.110 36 R CB 0.552 30.850 30.300 -0.003 0.000 1.158 36 R HN 0.653 nan 8.270 nan 0.000 0.543 37 N N -0.766 117.930 118.700 -0.006 0.000 2.530 37 N HA 0.279 5.019 4.740 -0.000 0.000 0.277 37 N C -0.908 174.598 175.510 -0.007 0.000 1.168 37 N CA -0.354 52.692 53.050 -0.007 0.000 0.979 37 N CB 1.183 39.666 38.487 -0.006 0.000 1.141 37 N HN 0.088 nan 8.380 nan 0.000 0.459 38 V N 1.996 121.905 119.914 -0.008 0.000 2.540 38 V HA 0.324 4.444 4.120 -0.000 0.000 0.302 38 V C -0.373 175.715 176.094 -0.010 0.000 1.035 38 V CA -0.817 61.477 62.300 -0.009 0.000 0.873 38 V CB 1.807 33.624 31.823 -0.010 0.000 0.992 38 V HN 0.323 nan 8.190 nan 0.000 0.428 39 V N 6.393 126.301 119.914 -0.010 0.000 2.383 39 V HA 0.453 4.573 4.120 -0.000 0.000 0.275 39 V C -0.177 175.909 176.094 -0.013 0.000 1.036 39 V CA -0.397 61.897 62.300 -0.010 0.000 0.889 39 V CB 1.302 33.120 31.823 -0.009 0.000 0.985 39 V HN 0.620 nan 8.190 nan 0.000 0.459 40 L N 3.873 125.088 121.223 -0.014 0.000 2.298 40 L HA 0.512 4.852 4.340 -0.000 0.000 0.284 40 L C -0.019 176.839 176.870 -0.021 0.000 1.013 40 L CA -0.608 54.221 54.840 -0.018 0.000 0.824 40 L CB 1.479 43.527 42.059 -0.019 0.000 1.221 40 L HN 0.498 nan 8.230 nan 0.000 0.418 41 D N 3.383 123.767 120.400 -0.027 0.000 2.399 41 D HA 0.187 4.827 4.640 -0.000 0.000 0.241 41 D C -0.386 175.887 176.300 -0.045 0.000 1.133 41 D CA 0.417 54.396 54.000 -0.034 0.000 0.890 41 D CB 0.996 41.771 40.800 -0.041 0.000 1.201 41 D HN 0.379 nan 8.370 nan 0.000 0.432 42 K N 0.109 120.478 120.400 -0.051 0.000 2.340 42 K HA 0.230 4.550 4.320 -0.000 0.000 0.244 42 K C 1.067 177.584 176.600 -0.139 0.000 0.973 42 K CA -0.612 55.635 56.287 -0.068 0.000 0.828 42 K CB 1.667 34.154 32.500 -0.022 0.000 1.226 42 K HN 0.358 nan 8.250 nan 0.000 0.437 43 S N 0.549 116.096 115.700 -0.256 0.000 2.428 43 S HA 0.019 4.489 4.470 -0.000 0.000 0.230 43 S C 0.297 174.459 174.600 -0.730 0.000 1.014 43 S CA 0.653 58.522 58.200 -0.552 0.000 0.957 43 S CB -0.165 62.563 63.200 -0.787 0.000 0.784 43 S HN 0.368 nan 8.310 nan 0.000 0.499 44 F N 0.959 120.905 119.950 -0.006 0.000 2.565 44 F HA 0.696 5.223 4.527 -0.000 0.000 0.313 44 F C 0.926 176.723 175.800 -0.006 0.000 1.091 44 F CA -0.386 57.611 58.000 -0.006 0.000 0.915 44 F CB 1.422 40.419 39.000 -0.006 0.000 1.208 44 F HN 0.378 nan 8.300 nan 0.000 0.453 45 G N 0.891 109.810 108.800 0.197 0.000 2.693 45 G HA2 0.265 4.225 3.960 -0.000 0.000 0.226 45 G HA3 0.265 4.225 3.960 -0.000 0.000 0.226 45 G C -0.541 174.394 174.900 0.059 0.000 1.354 45 G CA -0.562 44.600 45.100 0.103 0.000 0.873 45 G HN 1.275 nan 8.290 nan 0.000 0.562 46 A N 0.696 123.539 122.820 0.039 0.000 2.386 46 A HA 0.715 5.035 4.320 -0.000 0.000 0.248 46 A C -1.352 176.241 177.584 0.015 0.000 1.082 46 A CA -0.014 52.036 52.037 0.022 0.000 0.789 46 A CB -0.154 18.856 19.000 0.017 0.000 1.025 46 A HN 0.726 nan 8.150 nan 0.000 0.490 47 P HA 0.262 nan 4.420 nan 0.000 0.272 47 P C -0.282 177.018 177.300 -0.001 0.000 1.230 47 P CA -0.033 63.065 63.100 -0.003 0.000 0.788 47 P CB 0.460 32.156 31.700 -0.007 0.000 0.949 48 T N 2.102 116.653 114.554 -0.005 0.000 2.817 48 T HA 0.411 4.760 4.350 -0.000 0.000 0.293 48 T C 0.294 174.990 174.700 -0.007 0.000 0.964 48 T CA -0.011 62.086 62.100 -0.005 0.000 1.085 48 T CB -0.154 68.710 68.868 -0.007 0.000 0.921 48 T HN 0.179 nan 8.240 nan 0.000 0.502 49 I N 2.930 123.497 120.570 -0.006 0.000 2.382 49 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 49 I C 0.365 176.478 176.117 -0.008 0.000 1.002 49 I CA -0.464 60.832 61.300 -0.007 0.000 1.135 49 I CB 1.713 39.710 38.000 -0.005 0.000 1.288 49 I HN 0.528 nan 8.210 nan 0.000 0.448 50 T N 4.497 119.046 114.554 -0.010 0.000 2.883 50 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 50 T C -0.047 174.646 174.700 -0.011 0.000 1.117 50 T CA -0.555 61.538 62.100 -0.011 0.000 1.006 50 T CB 1.774 70.634 68.868 -0.013 0.000 1.191 50 T HN 0.636 nan 8.240 nan 0.000 0.508 51 K N 1.446 121.838 120.400 -0.012 0.000 2.506 51 K HA 0.218 4.537 4.320 -0.000 0.000 0.204 51 K C -0.835 175.757 176.600 -0.015 0.000 1.045 51 K CA -0.253 56.027 56.287 -0.012 0.000 1.074 51 K CB 0.556 33.049 32.500 -0.012 0.000 0.842 51 K HN 0.485 nan 8.250 nan 0.000 0.514 52 D N -0.151 120.239 120.400 -0.017 0.000 2.373 52 D HA 0.154 4.794 4.640 -0.000 0.000 0.227 52 D C 1.242 177.530 176.300 -0.020 0.000 1.091 52 D CA -0.255 53.733 54.000 -0.020 0.000 0.840 52 D CB 1.354 42.141 40.800 -0.023 0.000 1.060 52 D HN 0.147 nan 8.370 nan 0.000 0.502 53 G N 2.413 111.201 108.800 -0.019 0.000 2.469 53 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 53 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 53 G C 1.493 176.380 174.900 -0.022 0.000 1.150 53 G CA 0.829 45.918 45.100 -0.018 0.000 0.763 53 G HN 0.485 nan 8.290 nan 0.000 0.561 54 V N 0.938 120.836 119.914 -0.026 0.000 2.343 54 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 54 V C 3.118 179.196 176.094 -0.027 0.000 1.051 54 V CA 2.231 64.513 62.300 -0.030 0.000 1.036 54 V CB -0.587 31.214 31.823 -0.036 0.000 0.654 54 V HN 0.377 nan 8.190 nan 0.000 0.451 55 S N -0.154 115.531 115.700 -0.026 0.000 2.370 55 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 55 S C 1.987 176.573 174.600 -0.022 0.000 1.033 55 S CA 1.645 59.831 58.200 -0.023 0.000 1.011 55 S CB -0.251 62.936 63.200 -0.021 0.000 0.852 55 S HN 0.406 nan 8.310 nan 0.000 0.457 56 V N 1.873 121.775 119.914 -0.020 0.000 2.307 56 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 56 V C 2.653 178.736 176.094 -0.019 0.000 1.045 56 V CA 1.628 63.917 62.300 -0.018 0.000 1.024 56 V CB -1.278 30.536 31.823 -0.015 0.000 0.651 56 V HN 0.535 nan 8.190 nan 0.000 0.449 57 A N 0.040 122.847 122.820 -0.020 0.000 1.908 57 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 57 A C 2.362 179.932 177.584 -0.024 0.000 1.181 57 A CA 1.917 53.941 52.037 -0.021 0.000 0.627 57 A CB -0.576 18.411 19.000 -0.023 0.000 0.818 57 A HN 0.492 nan 8.150 nan 0.000 0.445 58 R N -0.544 119.941 120.500 -0.026 0.000 2.159 58 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 58 R C 1.550 177.833 176.300 -0.028 0.000 1.131 58 R CA 1.320 57.403 56.100 -0.029 0.000 0.982 58 R CB -0.193 30.089 30.300 -0.030 0.000 0.868 58 R HN 0.516 nan 8.270 nan 0.000 0.453 59 E N 0.249 120.434 120.200 -0.026 0.000 2.371 59 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 59 E C 0.500 177.085 176.600 -0.025 0.000 1.012 59 E CA 0.276 56.660 56.400 -0.026 0.000 0.860 59 E CB 0.193 29.878 29.700 -0.025 0.000 0.811 59 E HN 0.157 nan 8.360 nan 0.000 0.502 60 I N 2.257 122.814 120.570 -0.022 0.000 2.505 60 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 60 I C 0.378 176.482 176.117 -0.021 0.000 1.104 60 I CA 0.297 61.585 61.300 -0.020 0.000 1.387 60 I CB -0.168 37.822 38.000 -0.016 0.000 1.404 60 I HN -0.032 nan 8.210 nan 0.000 0.528 61 E N 7.181 127.368 120.200 -0.021 0.000 2.304 61 E HA 0.531 4.881 4.350 -0.000 0.000 0.277 61 E C -1.708 174.880 176.600 -0.020 0.000 0.898 61 E CA -0.601 55.785 56.400 -0.023 0.000 0.764 61 E CB 1.929 31.613 29.700 -0.028 0.000 1.216 61 E HN 0.451 nan 8.360 nan 0.000 0.419 62 L N 3.226 124.437 121.223 -0.019 0.000 2.334 62 L HA 0.410 4.750 4.340 -0.000 0.000 0.270 62 L C 1.448 178.308 176.870 -0.017 0.000 1.018 62 L CA -0.559 54.273 54.840 -0.013 0.000 0.811 62 L CB 1.485 43.541 42.059 -0.003 0.000 1.271 62 L HN 0.755 nan 8.230 nan 0.000 0.443 63 E N 0.459 120.653 120.200 -0.010 0.000 2.046 63 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 63 E C 0.478 177.072 176.600 -0.009 0.000 0.982 63 E CA 0.425 56.818 56.400 -0.012 0.000 0.800 63 E CB 0.264 29.960 29.700 -0.006 0.000 0.756 63 E HN 0.655 nan 8.360 nan 0.000 0.449 64 D N 0.778 121.184 120.400 0.010 0.000 2.401 64 D HA -0.067 4.573 4.640 -0.000 0.000 0.254 64 D C 0.671 176.970 176.300 -0.001 0.000 1.192 64 D CA 0.079 54.099 54.000 0.033 0.000 0.885 64 D CB 0.937 41.780 40.800 0.072 0.000 1.147 64 D HN 0.052 nan 8.370 nan 0.000 0.478 65 K N 3.574 123.933 120.400 -0.069 0.000 2.103 65 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 65 K C 1.864 178.292 176.600 -0.287 0.000 1.048 65 K CA 1.155 57.310 56.287 -0.220 0.000 0.930 65 K CB -0.248 32.030 32.500 -0.369 0.000 0.716 65 K HN 0.491 nan 8.250 nan 0.000 0.444 66 F N 1.673 121.610 119.950 -0.021 0.000 2.128 66 F HA -0.045 4.482 4.527 -0.000 0.000 0.295 66 F C 2.426 178.214 175.800 -0.020 0.000 1.100 66 F CA 0.996 58.981 58.000 -0.025 0.000 1.260 66 F CB -0.463 38.522 39.000 -0.025 0.000 1.009 66 F HN 0.068 nan 8.300 nan 0.000 0.476 67 E N 0.030 120.326 120.200 0.160 0.000 2.118 67 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 67 E C 1.821 178.443 176.600 0.037 0.000 0.992 67 E CA 1.402 57.852 56.400 0.083 0.000 0.804 67 E CB -0.353 29.385 29.700 0.062 0.000 0.741 67 E HN 0.297 nan 8.360 nan 0.000 0.458 68 N N 0.538 119.242 118.700 0.008 0.000 2.166 68 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 68 N C 1.712 177.209 175.510 -0.020 0.000 1.019 68 N CA 1.239 54.279 53.050 -0.018 0.000 0.856 68 N CB 0.013 38.474 38.487 -0.043 0.000 0.993 68 N HN 0.083 nan 8.380 nan 0.000 0.426 69 M N -0.763 118.821 119.600 -0.026 0.000 2.117 69 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 69 M C 2.181 178.484 176.300 0.005 0.000 1.065 69 M CA 1.698 56.986 55.300 -0.021 0.000 1.114 69 M CB -0.593 31.991 32.600 -0.026 0.000 1.361 69 M HN 0.316 nan 8.290 nan 0.000 0.408 70 G N -0.128 108.688 108.800 0.026 0.000 2.418 70 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 70 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 70 G C 1.613 176.521 174.900 0.013 0.000 1.158 70 G CA 1.025 46.141 45.100 0.026 0.000 0.771 70 G HN 0.546 nan 8.290 nan 0.000 0.545 71 A N 0.044 122.868 122.820 0.008 0.000 1.898 71 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 71 A C 2.404 179.985 177.584 -0.006 0.000 1.181 71 A CA 1.849 53.887 52.037 0.001 0.000 0.620 71 A CB -0.309 18.689 19.000 -0.003 0.000 0.819 71 A HN 0.303 nan 8.150 nan 0.000 0.442 72 Q N -0.583 119.211 119.800 -0.011 0.000 2.167 72 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 72 Q C 2.073 178.066 176.000 -0.012 0.000 0.970 72 Q CA 1.320 57.114 55.803 -0.016 0.000 0.855 72 Q CB -0.527 28.197 28.738 -0.023 0.000 0.911 72 Q HN 0.770 nan 8.270 nan 0.000 0.438 73 M N -0.494 119.104 119.600 -0.004 0.000 2.077 73 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 73 M C 2.235 178.538 176.300 0.005 0.000 1.070 73 M CA 1.126 56.427 55.300 0.002 0.000 1.125 73 M CB -0.395 32.211 32.600 0.009 0.000 1.339 73 M HN 0.059 nan 8.290 nan 0.000 0.409 74 V N 0.270 120.188 119.914 0.007 0.000 2.759 74 V HA -0.227 3.893 4.120 -0.000 0.000 0.256 74 V C 2.026 178.120 176.094 -0.001 0.000 1.080 74 V CA 1.770 64.075 62.300 0.009 0.000 1.101 74 V CB -0.476 31.354 31.823 0.011 0.000 0.698 74 V HN 0.406 nan 8.190 nan 0.000 0.477 75 K N -0.256 120.139 120.400 -0.009 0.000 2.209 75 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 75 K C 2.017 178.599 176.600 -0.031 0.000 1.048 75 K CA 1.373 57.648 56.287 -0.019 0.000 0.940 75 K CB -0.036 32.452 32.500 -0.021 0.000 0.729 75 K HN 0.450 nan 8.250 nan 0.000 0.451 76 E N 0.053 120.237 120.200 -0.027 0.000 2.338 76 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 76 E C 1.815 178.376 176.600 -0.066 0.000 1.007 76 E CA 0.573 56.947 56.400 -0.044 0.000 0.849 76 E CB 0.098 29.785 29.700 -0.022 0.000 0.774 76 E HN 0.119 nan 8.360 nan 0.000 0.506 77 V N 1.410 121.306 119.914 -0.030 0.000 2.244 77 V HA -0.249 3.871 4.120 -0.000 0.000 0.244 77 V C 2.465 178.516 176.094 -0.072 0.000 1.042 77 V CA 1.882 64.175 62.300 -0.012 0.000 1.006 77 V CB -0.899 30.945 31.823 0.035 0.000 0.641 77 V HN 0.249 nan 8.190 nan 0.000 0.446 78 A N 0.890 123.680 122.820 -0.050 0.000 1.873 78 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 78 A C 2.567 180.091 177.584 -0.100 0.000 1.193 78 A CA 2.943 54.946 52.037 -0.057 0.000 0.629 78 A CB -1.042 17.935 19.000 -0.038 0.000 0.826 78 A HN 0.711 nan 8.150 nan 0.000 0.447 79 S N 0.117 115.752 115.700 -0.107 0.000 2.359 79 S HA -0.243 4.227 4.470 -0.000 0.000 0.224 79 S C 1.889 176.369 174.600 -0.199 0.000 1.035 79 S CA 1.659 59.786 58.200 -0.121 0.000 1.018 79 S CB -0.483 62.660 63.200 -0.095 0.000 0.876 79 S HN 0.619 nan 8.310 nan 0.000 0.448 80 K N 1.759 121.962 120.400 -0.329 0.000 2.057 80 K HA 0.093 4.413 4.320 -0.000 0.000 0.207 80 K C 2.600 178.777 176.600 -0.706 0.000 1.049 80 K CA 1.151 57.072 56.287 -0.610 0.000 0.931 80 K CB -0.582 31.306 32.500 -1.020 0.000 0.714 80 K HN 0.498 nan 8.250 nan 0.000 0.440 81 A N 1.764 124.256 122.820 -0.547 0.000 1.933 81 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 81 A C 1.952 179.487 177.584 -0.083 0.000 1.175 81 A CA 1.890 53.818 52.037 -0.182 0.000 0.628 81 A CB -0.635 18.362 19.000 -0.006 0.000 0.814 81 A HN 0.277 nan 8.150 nan 0.000 0.444 82 N N 0.490 119.127 118.700 -0.105 0.000 2.039 82 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 82 N C 1.204 176.690 175.510 -0.040 0.000 1.044 82 N CA 1.896 54.910 53.050 -0.060 0.000 0.847 82 N CB -0.362 38.084 38.487 -0.068 0.000 1.030 82 N HN 0.394 nan 8.380 nan 0.000 0.422 83 D N -0.192 120.163 120.400 -0.075 0.000 2.149 83 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 83 D C 1.581 177.878 176.300 -0.005 0.000 0.990 83 D CA 1.370 55.342 54.000 -0.046 0.000 0.839 83 D CB -0.385 40.368 40.800 -0.078 0.000 0.948 83 D HN 0.459 nan 8.370 nan 0.000 0.460 84 A N 0.102 122.921 122.820 -0.001 0.000 1.935 84 A HA 0.316 4.636 4.320 -0.000 0.000 0.214 84 A C 2.020 179.661 177.584 0.095 0.000 1.178 84 A CA 1.557 53.640 52.037 0.077 0.000 0.640 84 A CB 0.139 19.257 19.000 0.196 0.000 0.825 84 A HN 0.233 nan 8.150 nan 0.000 0.447 85 A N -2.881 120.002 122.820 0.105 0.000 2.427 85 A HA 0.467 4.787 4.320 -0.000 0.000 0.225 85 A C 1.621 179.348 177.584 0.239 0.000 1.257 85 A CA 1.058 53.179 52.037 0.140 0.000 0.985 85 A CB -0.271 18.800 19.000 0.117 0.000 1.136 85 A HN 1.821 nan 8.150 nan 0.000 0.538 86 G N -0.394 108.490 108.800 0.140 0.000 2.179 86 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.257 86 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.257 86 G C -0.200 174.641 174.900 -0.098 0.000 1.010 86 G CA 0.879 45.982 45.100 0.006 0.000 0.736 86 G HN 0.898 nan 8.290 nan 0.000 0.513 87 D N -2.903 117.493 120.400 -0.007 0.000 2.742 87 D HA 0.562 5.202 4.640 -0.000 0.000 0.262 87 D C 0.782 177.089 176.300 0.012 0.000 1.240 87 D CA 1.293 55.282 54.000 -0.017 0.000 0.752 87 D CB 0.203 41.002 40.800 -0.001 0.000 1.290 87 D HN 1.412 nan 8.370 nan 0.000 0.420 88 G N 0.426 109.229 108.800 0.005 0.000 2.147 88 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 88 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 88 G C 0.977 175.886 174.900 0.015 0.000 1.005 88 G CA 1.659 46.768 45.100 0.016 0.000 0.713 88 G HN 0.987 nan 8.290 nan 0.000 0.515 89 T N -3.503 111.050 114.554 -0.002 0.000 2.904 89 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 89 T C 2.212 176.911 174.700 -0.002 0.000 1.059 89 T CA 2.412 64.508 62.100 -0.007 0.000 1.137 89 T CB -0.343 68.510 68.868 -0.025 0.000 0.879 89 T HN 0.282 nan 8.240 nan 0.000 0.467 90 T N 1.772 116.324 114.554 -0.003 0.000 2.857 90 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 90 T C 2.195 176.900 174.700 0.007 0.000 1.048 90 T CA 1.638 63.737 62.100 -0.001 0.000 1.139 90 T CB -0.780 68.085 68.868 -0.004 0.000 0.874 90 T HN 0.471 nan 8.240 nan 0.000 0.455 91 T N 2.069 116.630 114.554 0.012 0.000 2.708 91 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 91 T C 2.404 177.119 174.700 0.025 0.000 1.037 91 T CA 1.191 63.302 62.100 0.018 0.000 1.146 91 T CB -0.515 68.366 68.868 0.021 0.000 0.865 91 T HN 0.418 nan 8.240 nan 0.000 0.435 92 A N 1.099 123.939 122.820 0.032 0.000 1.933 92 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 92 A C 2.535 180.141 177.584 0.036 0.000 1.175 92 A CA 2.064 54.129 52.037 0.047 0.000 0.628 92 A CB -1.147 17.891 19.000 0.063 0.000 0.814 92 A HN 0.476 nan 8.150 nan 0.000 0.444 93 T N -0.380 114.187 114.554 0.022 0.000 2.777 93 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 93 T C 2.006 176.715 174.700 0.015 0.000 1.040 93 T CA 1.782 63.891 62.100 0.015 0.000 1.141 93 T CB -0.603 68.269 68.868 0.006 0.000 0.868 93 T HN 0.644 nan 8.240 nan 0.000 0.444 94 V N 0.484 120.407 119.914 0.014 0.000 2.515 94 V HA 0.007 4.127 4.120 -0.000 0.000 0.250 94 V C 2.156 178.259 176.094 0.015 0.000 1.058 94 V CA 1.333 63.640 62.300 0.012 0.000 1.064 94 V CB -0.948 30.881 31.823 0.010 0.000 0.675 94 V HN 0.443 nan 8.190 nan 0.000 0.461 95 L N 0.659 121.894 121.223 0.020 0.000 2.027 95 L HA -0.013 4.327 4.340 -0.000 0.000 0.206 95 L C 3.067 179.950 176.870 0.022 0.000 1.074 95 L CA 1.745 56.598 54.840 0.022 0.000 0.745 95 L CB -0.900 41.175 42.059 0.027 0.000 0.898 95 L HN 0.438 nan 8.230 nan 0.000 0.433 96 A N -0.508 122.328 122.820 0.027 0.000 1.902 96 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 96 A C 2.261 179.857 177.584 0.020 0.000 1.181 96 A CA 1.983 54.036 52.037 0.027 0.000 0.623 96 A CB -0.643 18.376 19.000 0.032 0.000 0.818 96 A HN 0.522 nan 8.150 nan 0.000 0.443 97 Q N -0.517 119.293 119.800 0.017 0.000 2.084 97 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 97 Q C 2.143 178.150 176.000 0.012 0.000 0.978 97 Q CA 1.654 57.465 55.803 0.013 0.000 0.844 97 Q CB -0.358 28.387 28.738 0.010 0.000 0.898 97 Q HN 0.583 nan 8.270 nan 0.000 0.426 98 A N 0.701 123.528 122.820 0.012 0.000 1.933 98 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 98 A C 1.968 179.559 177.584 0.011 0.000 1.175 98 A CA 1.281 53.325 52.037 0.011 0.000 0.628 98 A CB -0.532 18.474 19.000 0.011 0.000 0.814 98 A HN 0.489 nan 8.150 nan 0.000 0.444 99 I N -0.581 119.997 120.570 0.013 0.000 2.286 99 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 99 I C 2.243 178.368 176.117 0.013 0.000 1.104 99 I CA 1.024 62.332 61.300 0.013 0.000 1.397 99 I CB -0.278 37.731 38.000 0.014 0.000 1.072 99 I HN 0.272 nan 8.210 nan 0.000 0.417 100 I N 0.366 120.945 120.570 0.014 0.000 2.226 100 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 100 I C 2.559 178.683 176.117 0.012 0.000 1.100 100 I CA 1.463 62.772 61.300 0.014 0.000 1.374 100 I CB -0.581 37.428 38.000 0.016 0.000 1.057 100 I HN 0.228 nan 8.210 nan 0.000 0.413 101 T N 0.329 114.890 114.554 0.011 0.000 2.622 101 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 101 T C 1.818 176.523 174.700 0.008 0.000 1.047 101 T CA 1.368 63.473 62.100 0.009 0.000 1.159 101 T CB -0.191 68.681 68.868 0.008 0.000 0.863 101 T HN 0.288 nan 8.240 nan 0.000 0.422 102 E N 0.607 120.811 120.200 0.008 0.000 2.152 102 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 102 E C 2.518 179.122 176.600 0.007 0.000 0.983 102 E CA 0.901 57.305 56.400 0.007 0.000 0.818 102 E CB -0.770 28.934 29.700 0.006 0.000 0.758 102 E HN 0.574 nan 8.360 nan 0.000 0.467 103 G N 1.370 110.175 108.800 0.008 0.000 2.421 103 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 103 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 103 G C 1.724 176.629 174.900 0.009 0.000 1.171 103 G CA 0.408 45.513 45.100 0.009 0.000 0.775 103 G HN 0.174 nan 8.290 nan 0.000 0.543 104 L N -0.207 121.021 121.223 0.009 0.000 2.141 104 L HA -0.000 4.340 4.340 -0.000 0.000 0.209 104 L C 2.926 179.800 176.870 0.007 0.000 1.094 104 L CA 0.947 55.792 54.840 0.009 0.000 0.763 104 L CB -0.292 41.773 42.059 0.009 0.000 0.908 104 L HN 0.182 nan 8.230 nan 0.000 0.437 105 K N 0.166 120.570 120.400 0.006 0.000 2.057 105 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 105 K C 2.239 178.842 176.600 0.005 0.000 1.049 105 K CA 1.380 57.670 56.287 0.005 0.000 0.931 105 K CB -0.173 32.330 32.500 0.004 0.000 0.714 105 K HN 0.280 nan 8.250 nan 0.000 0.440 106 A N 0.811 123.634 122.820 0.005 0.000 1.902 106 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 106 A C 2.298 179.885 177.584 0.006 0.000 1.181 106 A CA 1.386 53.426 52.037 0.005 0.000 0.623 106 A CB -0.594 18.410 19.000 0.006 0.000 0.818 106 A HN 0.087 nan 8.150 nan 0.000 0.443 107 V N -0.213 119.706 119.914 0.007 0.000 2.407 107 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 107 V C 3.000 179.098 176.094 0.007 0.000 1.055 107 V CA 1.870 64.174 62.300 0.008 0.000 1.049 107 V CB -1.060 30.770 31.823 0.010 0.000 0.662 107 V HN 0.612 nan 8.190 nan 0.000 0.455 108 A N -0.192 122.632 122.820 0.006 0.000 2.015 108 A HA 0.034 4.354 4.320 -0.000 0.000 0.219 108 A C 2.220 179.806 177.584 0.003 0.000 1.163 108 A CA 1.542 53.582 52.037 0.004 0.000 0.646 108 A CB -0.481 18.521 19.000 0.003 0.000 0.806 108 A HN 0.572 nan 8.150 nan 0.000 0.448 109 A N -1.820 121.002 122.820 0.003 0.000 2.235 109 A HA 0.406 4.726 4.320 -0.000 0.000 0.208 109 A C 1.737 179.322 177.584 0.002 0.000 1.172 109 A CA 1.220 53.258 52.037 0.002 0.000 0.786 109 A CB -0.830 18.172 19.000 0.002 0.000 0.804 109 A HN 1.800 nan 8.150 nan 0.000 0.479 110 G N -1.879 106.923 108.800 0.003 0.000 2.176 110 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 110 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 110 G C 0.206 175.108 174.900 0.004 0.000 0.986 110 G CA 0.206 45.308 45.100 0.003 0.000 0.643 110 G HN 0.378 nan 8.290 nan 0.000 0.522 111 M N 0.773 120.375 119.600 0.004 0.000 2.240 111 M HA 0.219 4.699 4.480 -0.000 0.000 0.333 111 M C 0.760 177.064 176.300 0.006 0.000 1.110 111 M CA -0.409 54.894 55.300 0.005 0.000 1.173 111 M CB 0.377 32.980 32.600 0.004 0.000 1.458 111 M HN 0.169 nan 8.290 nan 0.000 0.458 112 N N 2.711 121.414 118.700 0.006 0.000 2.416 112 N HA 0.077 4.817 4.740 -0.000 0.000 0.265 112 N C -2.108 173.407 175.510 0.008 0.000 1.195 112 N CA -1.210 51.844 53.050 0.007 0.000 0.943 112 N CB 1.060 39.550 38.487 0.006 0.000 1.115 112 N HN 0.289 nan 8.380 nan 0.000 0.481 113 P HA -0.166 nan 4.420 nan 0.000 0.215 113 P C 1.689 178.995 177.300 0.010 0.000 1.157 113 P CA 1.506 64.613 63.100 0.012 0.000 0.874 113 P CB 0.196 31.905 31.700 0.015 0.000 0.790 114 M N -1.018 118.588 119.600 0.010 0.000 2.159 114 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 114 M C 1.479 177.783 176.300 0.007 0.000 1.063 114 M CA 1.666 56.972 55.300 0.009 0.000 1.110 114 M CB -1.717 30.889 32.600 0.009 0.000 1.374 114 M HN 0.008 nan 8.290 nan 0.000 0.411 115 D N 0.437 120.841 120.400 0.006 0.000 2.149 115 D HA -0.005 4.635 4.640 -0.000 0.000 0.201 115 D C 2.352 178.654 176.300 0.005 0.000 0.972 115 D CA 0.832 54.834 54.000 0.005 0.000 0.835 115 D CB -0.057 40.745 40.800 0.004 0.000 0.966 115 D HN 0.325 nan 8.370 nan 0.000 0.476 116 L N 0.864 122.090 121.223 0.006 0.000 2.012 116 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 116 L C 2.554 179.427 176.870 0.005 0.000 1.073 116 L CA 1.263 56.106 54.840 0.006 0.000 0.748 116 L CB -0.348 41.715 42.059 0.007 0.000 0.891 116 L HN -0.012 nan 8.230 nan 0.000 0.431 117 K N 0.429 120.833 120.400 0.006 0.000 2.057 117 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 117 K C 2.324 178.925 176.600 0.003 0.000 1.049 117 K CA 1.447 57.737 56.287 0.005 0.000 0.931 117 K CB -0.085 32.419 32.500 0.007 0.000 0.714 117 K HN 0.052 nan 8.250 nan 0.000 0.440 118 R N -0.190 120.311 120.500 0.002 0.000 2.081 118 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 118 R C 2.305 178.605 176.300 -0.000 0.000 1.131 118 R CA 1.834 57.935 56.100 0.001 0.000 0.960 118 R CB -0.624 29.676 30.300 0.001 0.000 0.856 118 R HN 0.427 nan 8.270 nan 0.000 0.436 119 G N 0.681 109.482 108.800 0.001 0.000 2.418 119 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 119 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 119 G C 1.439 176.339 174.900 0.000 0.000 1.158 119 G CA 0.867 45.967 45.100 0.001 0.000 0.771 119 G HN 0.276 nan 8.290 nan 0.000 0.545 120 I N 0.991 121.562 120.570 0.001 0.000 2.179 120 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 120 I C 2.267 178.381 176.117 -0.004 0.000 1.088 120 I CA 1.207 62.507 61.300 0.000 0.000 1.357 120 I CB -0.152 37.850 38.000 0.002 0.000 1.051 120 I HN 0.041 nan 8.210 nan 0.000 0.409 121 D N 0.730 121.127 120.400 -0.005 0.000 2.144 121 D HA -0.216 4.424 4.640 -0.000 0.000 0.199 121 D C 2.065 178.359 176.300 -0.011 0.000 0.984 121 D CA 1.180 55.174 54.000 -0.010 0.000 0.834 121 D CB -0.182 40.612 40.800 -0.010 0.000 0.955 121 D HN 0.314 nan 8.370 nan 0.000 0.465 122 K N 0.683 121.079 120.400 -0.007 0.000 2.057 122 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 122 K C 2.038 178.634 176.600 -0.006 0.000 1.050 122 K CA 1.156 57.439 56.287 -0.006 0.000 0.935 122 K CB -0.007 32.491 32.500 -0.004 0.000 0.715 122 K HN -0.002 nan 8.250 nan 0.000 0.439 123 A N 0.691 123.508 122.820 -0.004 0.000 1.902 123 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 123 A C 2.225 179.806 177.584 -0.006 0.000 1.181 123 A CA 1.685 53.720 52.037 -0.003 0.000 0.623 123 A CB -0.651 18.349 19.000 -0.000 0.000 0.818 123 A HN 0.184 nan 8.150 nan 0.000 0.443 124 V N -0.530 119.378 119.914 -0.009 0.000 2.358 124 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 124 V C 2.736 178.819 176.094 -0.018 0.000 1.047 124 V CA 2.424 64.715 62.300 -0.015 0.000 1.035 124 V CB -1.210 30.600 31.823 -0.023 0.000 0.658 124 V HN 0.598 nan 8.190 nan 0.000 0.452 125 T N 0.054 114.597 114.554 -0.018 0.000 2.684 125 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 125 T C 1.908 176.600 174.700 -0.013 0.000 1.036 125 T CA 1.857 63.946 62.100 -0.018 0.000 1.148 125 T CB -0.225 68.633 68.868 -0.016 0.000 0.863 125 T HN 0.284 nan 8.240 nan 0.000 0.436 126 V N 1.366 121.275 119.914 -0.008 0.000 2.453 126 V HA -0.071 4.049 4.120 -0.000 0.000 0.247 126 V C 2.810 178.902 176.094 -0.003 0.000 1.048 126 V CA 1.435 63.732 62.300 -0.005 0.000 1.049 126 V CB -1.087 30.735 31.823 -0.002 0.000 0.672 126 V HN 0.510 nan 8.190 nan 0.000 0.457 127 A N -0.165 122.653 122.820 -0.004 0.000 1.933 127 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 127 A C 2.383 179.965 177.584 -0.003 0.000 1.175 127 A CA 2.017 54.053 52.037 -0.001 0.000 0.628 127 A CB -0.601 18.399 19.000 -0.001 0.000 0.814 127 A HN 0.337 nan 8.150 nan 0.000 0.444 128 V N -0.016 119.893 119.914 -0.009 0.000 2.358 128 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 128 V C 2.387 178.477 176.094 -0.006 0.000 1.047 128 V CA 2.244 64.538 62.300 -0.010 0.000 1.035 128 V CB -0.794 31.017 31.823 -0.021 0.000 0.658 128 V HN 0.649 nan 8.190 nan 0.000 0.452 129 E N -0.091 120.106 120.200 -0.006 0.000 2.051 129 E HA -0.281 4.068 4.350 -0.000 0.000 0.192 129 E C 2.229 178.830 176.600 0.001 0.000 0.991 129 E CA 1.449 57.847 56.400 -0.003 0.000 0.799 129 E CB -0.145 29.553 29.700 -0.003 0.000 0.748 129 E HN 0.507 nan 8.360 nan 0.000 0.449 130 E N 0.704 120.905 120.200 0.002 0.000 2.204 130 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 130 E C 1.733 178.338 176.600 0.007 0.000 0.990 130 E CA 0.450 56.853 56.400 0.005 0.000 0.821 130 E CB -0.050 29.654 29.700 0.006 0.000 0.750 130 E HN 0.103 nan 8.360 nan 0.000 0.477 131 L N 0.544 121.770 121.223 0.006 0.000 2.109 131 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 131 L C 1.808 178.683 176.870 0.008 0.000 1.086 131 L CA 1.703 56.548 54.840 0.008 0.000 0.760 131 L CB -0.235 41.828 42.059 0.006 0.000 0.910 131 L HN -0.003 nan 8.230 nan 0.000 0.437 132 K N -0.918 119.485 120.400 0.005 0.000 2.097 132 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 132 K C 2.052 178.656 176.600 0.007 0.000 1.050 132 K CA 1.126 57.416 56.287 0.005 0.000 0.938 132 K CB -0.274 32.227 32.500 0.003 0.000 0.718 132 K HN 0.390 nan 8.250 nan 0.000 0.442 133 A N 1.306 124.130 122.820 0.007 0.000 1.930 133 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 133 A C 1.988 179.578 177.584 0.010 0.000 1.175 133 A CA 1.162 53.203 52.037 0.008 0.000 0.627 133 A CB -0.470 18.535 19.000 0.008 0.000 0.815 133 A HN 0.161 nan 8.150 nan 0.000 0.443 134 L N -0.313 120.917 121.223 0.012 0.000 2.492 134 L HA 0.046 4.386 4.340 -0.000 0.000 0.223 134 L C 1.329 178.208 176.870 0.015 0.000 1.132 134 L CA 0.062 54.911 54.840 0.015 0.000 0.850 134 L CB -0.295 41.775 42.059 0.018 0.000 0.966 134 L HN 0.317 nan 8.230 nan 0.000 0.454 135 S N 0.381 116.089 115.700 0.013 0.000 2.537 135 S HA 0.187 4.657 4.470 -0.000 0.000 0.286 135 S C -0.127 174.480 174.600 0.011 0.000 1.299 135 S CA -0.433 57.774 58.200 0.012 0.000 1.067 135 S CB 0.652 63.858 63.200 0.010 0.000 0.864 135 S HN -0.034 nan 8.310 nan 0.000 0.494 136 V N 8.413 128.335 119.914 0.012 0.000 2.427 136 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 136 V C -2.009 174.090 176.094 0.009 0.000 1.034 136 V CA -1.855 60.452 62.300 0.011 0.000 0.893 136 V CB 1.412 33.242 31.823 0.012 0.000 0.982 136 V HN 0.766 nan 8.190 nan 0.000 0.452 137 P HA 0.177 nan 4.420 nan 0.000 0.272 137 P C -0.708 176.596 177.300 0.006 0.000 1.230 137 P CA -0.265 62.839 63.100 0.006 0.000 0.788 137 P CB 0.487 32.190 31.700 0.005 0.000 0.949 138 C N 2.171 121.473 119.300 0.004 0.000 3.328 138 C HA 0.404 4.864 4.460 -0.000 0.000 0.230 138 C C 1.248 176.239 174.990 0.002 0.000 1.232 138 C CA 0.125 59.145 59.018 0.003 0.000 1.431 138 C CB -1.530 26.212 27.740 0.003 0.000 1.818 138 C HN 0.524 nan 8.230 nan 0.000 0.484 139 S N 1.249 116.950 115.700 0.002 0.000 2.527 139 S HA 0.077 4.547 4.470 -0.000 0.000 0.225 139 S C 0.577 175.177 174.600 0.001 0.000 1.046 139 S CA 0.295 58.496 58.200 0.001 0.000 0.929 139 S CB -0.114 63.087 63.200 0.002 0.000 0.851 139 S HN 0.942 nan 8.310 nan 0.000 0.565 140 D N 1.773 122.174 120.400 0.002 0.000 2.357 140 D HA 0.077 4.717 4.640 -0.000 0.000 0.242 140 D C 0.978 177.279 176.300 0.001 0.000 1.153 140 D CA 0.390 54.391 54.000 0.001 0.000 0.918 140 D CB 0.968 41.769 40.800 0.002 0.000 1.181 140 D HN 0.277 nan 8.370 nan 0.000 0.435 141 S N 0.603 116.304 115.700 0.001 0.000 2.442 141 S HA -0.246 4.224 4.470 -0.000 0.000 0.236 141 S C 1.673 176.274 174.600 0.001 0.000 1.007 141 S CA 0.967 59.167 58.200 0.001 0.000 0.965 141 S CB -0.313 62.887 63.200 0.001 0.000 0.773 141 S HN 0.637 nan 8.310 nan 0.000 0.504 142 K N 1.699 122.100 120.400 0.002 0.000 2.025 142 K HA 0.031 4.351 4.320 -0.000 0.000 0.207 142 K C 2.384 178.985 176.600 0.003 0.000 1.049 142 K CA 1.089 57.377 56.287 0.002 0.000 0.933 142 K CB -0.662 31.840 32.500 0.003 0.000 0.714 142 K HN 0.405 nan 8.250 nan 0.000 0.438 143 A N 1.712 124.534 122.820 0.003 0.000 1.865 143 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 143 A C 2.124 179.710 177.584 0.003 0.000 1.191 143 A CA 1.679 53.718 52.037 0.003 0.000 0.623 143 A CB -0.725 18.277 19.000 0.004 0.000 0.826 143 A HN 0.374 nan 8.150 nan 0.000 0.444 144 I N -0.186 120.385 120.570 0.002 0.000 2.194 144 I HA -0.348 3.822 4.170 -0.000 0.000 0.246 144 I C 2.946 179.065 176.117 0.003 0.000 1.093 144 I CA 1.204 62.505 61.300 0.002 0.000 1.355 144 I CB -0.398 37.602 38.000 0.000 0.000 1.046 144 I HN 0.395 nan 8.210 nan 0.000 0.413 145 A N 0.108 122.929 122.820 0.002 0.000 1.898 145 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 145 A C 2.261 179.847 177.584 0.003 0.000 1.181 145 A CA 1.481 53.519 52.037 0.003 0.000 0.620 145 A CB -0.580 18.421 19.000 0.002 0.000 0.819 145 A HN 0.447 nan 8.150 nan 0.000 0.442 146 Q N -0.510 119.292 119.800 0.003 0.000 2.020 146 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 146 Q C 2.191 178.193 176.000 0.004 0.000 0.982 146 Q CA 1.817 57.622 55.803 0.003 0.000 0.838 146 Q CB -0.394 28.346 28.738 0.003 0.000 0.899 146 Q HN 0.476 nan 8.270 nan 0.000 0.423 147 V N 0.438 120.355 119.914 0.005 0.000 2.287 147 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 147 V C 2.239 178.338 176.094 0.008 0.000 1.053 147 V CA 2.060 64.364 62.300 0.007 0.000 1.027 147 V CB -1.297 30.531 31.823 0.008 0.000 0.646 147 V HN 0.584 nan 8.190 nan 0.000 0.447 148 G N -0.582 108.223 108.800 0.008 0.000 2.440 148 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 148 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 148 G C 1.685 176.589 174.900 0.007 0.000 1.154 148 G CA 1.655 46.760 45.100 0.009 0.000 0.767 148 G HN 0.479 nan 8.290 nan 0.000 0.552 149 T N 1.422 115.979 114.554 0.004 0.000 2.652 149 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 149 T C 2.389 177.089 174.700 0.001 0.000 1.039 149 T CA 1.170 63.272 62.100 0.002 0.000 1.153 149 T CB -0.202 68.666 68.868 0.001 0.000 0.863 149 T HN 0.264 nan 8.240 nan 0.000 0.428 150 I N 1.261 121.832 120.570 0.001 0.000 2.286 150 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 150 I C 2.444 178.561 176.117 0.000 0.000 1.115 150 I CA 1.032 62.331 61.300 -0.001 0.000 1.392 150 I CB -0.367 37.633 38.000 -0.001 0.000 1.065 150 I HN 0.181 nan 8.210 nan 0.000 0.418 151 S N 0.561 116.265 115.700 0.006 0.000 2.515 151 S HA 0.075 4.545 4.470 -0.000 0.000 0.231 151 S C 1.610 176.214 174.600 0.006 0.000 0.987 151 S CA 0.850 59.055 58.200 0.009 0.000 0.936 151 S CB -0.015 63.196 63.200 0.020 0.000 0.766 151 S HN 0.506 nan 8.310 nan 0.000 0.528 152 A N 1.403 124.225 122.820 0.004 0.000 2.545 152 A HA 0.452 4.772 4.320 -0.000 0.000 0.277 152 A C 0.644 178.227 177.584 -0.002 0.000 1.301 152 A CA -0.316 51.722 52.037 0.002 0.000 0.935 152 A CB -0.532 18.470 19.000 0.004 0.000 1.093 152 A HN 0.383 nan 8.150 nan 0.000 0.519 153 N N -0.518 118.180 118.700 -0.004 0.000 2.783 153 N HA -0.218 4.522 4.740 -0.000 0.000 0.247 153 N C 0.194 175.700 175.510 -0.007 0.000 1.089 153 N CA 1.111 54.157 53.050 -0.007 0.000 0.690 153 N CB -1.918 36.564 38.487 -0.008 0.000 0.991 153 N HN 0.515 nan 8.380 nan 0.000 0.552 154 S N -1.643 114.054 115.700 -0.006 0.000 3.482 154 S HA -0.223 4.247 4.470 -0.000 0.000 0.294 154 S C -0.356 174.242 174.600 -0.004 0.000 1.244 154 S CA 0.759 58.956 58.200 -0.006 0.000 0.911 154 S CB -1.102 62.093 63.200 -0.008 0.000 1.070 154 S HN 0.730 nan 8.310 nan 0.000 0.614 155 D N 1.643 122.042 120.400 -0.003 0.000 2.483 155 D HA 0.207 4.847 4.640 -0.000 0.000 0.220 155 D C 1.146 177.446 176.300 -0.001 0.000 1.173 155 D CA -0.192 53.806 54.000 -0.002 0.000 0.964 155 D CB 0.267 41.066 40.800 -0.001 0.000 1.046 155 D HN 0.497 nan 8.370 nan 0.000 0.517 156 E N 0.908 121.107 120.200 -0.001 0.000 2.273 156 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 156 E C 1.350 177.951 176.600 0.000 0.000 1.002 156 E CA 1.059 57.459 56.400 -0.000 0.000 0.828 156 E CB 0.274 29.974 29.700 -0.001 0.000 0.747 156 E HN 0.464 nan 8.360 nan 0.000 0.491 157 T N 0.708 115.262 114.554 0.000 0.000 2.643 157 T HA -0.137 4.213 4.350 -0.000 0.000 0.264 157 T C 2.118 176.819 174.700 0.001 0.000 1.045 157 T CA 1.347 63.447 62.100 0.001 0.000 1.155 157 T CB -0.276 68.592 68.868 0.000 0.000 0.863 157 T HN 0.011 nan 8.240 nan 0.000 0.420 158 V N 1.542 121.458 119.914 0.002 0.000 2.469 158 V HA -0.143 3.977 4.120 -0.000 0.000 0.251 158 V C 2.797 178.894 176.094 0.004 0.000 1.064 158 V CA 1.882 64.184 62.300 0.004 0.000 1.066 158 V CB -1.469 30.356 31.823 0.004 0.000 0.667 158 V HN 0.623 nan 8.190 nan 0.000 0.461 159 G N -0.213 108.589 108.800 0.003 0.000 2.421 159 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 159 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 159 G C 1.623 176.525 174.900 0.003 0.000 1.171 159 G CA 1.086 46.188 45.100 0.003 0.000 0.775 159 G HN 0.512 nan 8.290 nan 0.000 0.543 160 K N 0.011 120.413 120.400 0.002 0.000 2.026 160 K HA 0.027 4.347 4.320 -0.000 0.000 0.208 160 K C 2.548 179.149 176.600 0.002 0.000 1.048 160 K CA 0.896 57.184 56.287 0.002 0.000 0.929 160 K CB -0.331 32.169 32.500 0.001 0.000 0.713 160 K HN 0.317 nan 8.250 nan 0.000 0.439 161 L N 0.992 122.217 121.223 0.002 0.000 1.997 161 L HA -0.269 4.071 4.340 -0.000 0.000 0.216 161 L C 2.489 179.361 176.870 0.002 0.000 1.074 161 L CA 1.674 56.515 54.840 0.002 0.000 0.763 161 L CB -0.440 41.621 42.059 0.003 0.000 0.890 161 L HN 0.301 nan 8.230 nan 0.000 0.434 162 I N -0.611 119.961 120.570 0.003 0.000 2.226 162 I HA -0.290 3.879 4.170 -0.000 0.000 0.245 162 I C 2.771 178.888 176.117 0.001 0.000 1.100 162 I CA 1.137 62.438 61.300 0.003 0.000 1.374 162 I CB -0.540 37.463 38.000 0.005 0.000 1.057 162 I HN 0.240 nan 8.210 nan 0.000 0.413 163 A N 0.744 123.565 122.820 0.001 0.000 1.902 163 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 163 A C 2.221 179.805 177.584 -0.000 0.000 1.181 163 A CA 1.767 53.804 52.037 0.000 0.000 0.623 163 A CB -0.570 18.430 19.000 0.001 0.000 0.818 163 A HN 0.474 nan 8.150 nan 0.000 0.443 164 E N -0.198 120.003 120.200 0.000 0.000 2.072 164 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 164 E C 2.327 178.927 176.600 -0.000 0.000 0.985 164 E CA 0.845 57.245 56.400 -0.000 0.000 0.801 164 E CB -0.316 29.384 29.700 0.000 0.000 0.750 164 E HN 0.606 nan 8.360 nan 0.000 0.452 165 A N 1.393 124.213 122.820 -0.000 0.000 1.908 165 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 165 A C 2.171 179.754 177.584 -0.002 0.000 1.181 165 A CA 1.463 53.499 52.037 -0.001 0.000 0.627 165 A CB -0.456 18.544 19.000 -0.001 0.000 0.818 165 A HN 0.143 nan 8.150 nan 0.000 0.445 166 M N -1.196 118.402 119.600 -0.003 0.000 2.394 166 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 166 M C 1.631 177.930 176.300 -0.003 0.000 1.073 166 M CA 1.518 56.815 55.300 -0.004 0.000 1.111 166 M CB -0.359 32.238 32.600 -0.005 0.000 1.401 166 M HN 0.467 nan 8.290 nan 0.000 0.448 167 D N 0.582 120.980 120.400 -0.002 0.000 2.224 167 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 167 D C 2.001 178.300 176.300 -0.001 0.000 0.965 167 D CA 1.009 55.009 54.000 -0.001 0.000 0.852 167 D CB 0.380 41.179 40.800 -0.001 0.000 0.947 167 D HN 0.007 nan 8.370 nan 0.000 0.494 168 K N -0.027 120.372 120.400 -0.001 0.000 1.991 168 K HA -0.007 4.313 4.320 -0.000 0.000 0.208 168 K C 2.038 178.637 176.600 -0.001 0.000 1.038 168 K CA 1.323 57.609 56.287 -0.001 0.000 0.943 168 K CB -0.813 31.687 32.500 -0.001 0.000 0.736 168 K HN 0.231 nan 8.250 nan 0.000 0.440 169 V N -1.733 118.180 119.914 -0.002 0.000 3.633 169 V HA 0.331 4.451 4.120 -0.000 0.000 0.283 169 V C 0.600 176.692 176.094 -0.002 0.000 1.305 169 V CA 0.227 62.526 62.300 -0.002 0.000 1.153 169 V CB -0.827 30.995 31.823 -0.001 0.000 0.950 169 V HN 0.445 nan 8.190 nan 0.000 0.432 170 G N 1.954 110.753 108.800 -0.003 0.000 2.705 170 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 170 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 170 G C 0.146 175.043 174.900 -0.006 0.000 1.285 170 G CA -0.101 44.997 45.100 -0.004 0.000 0.800 170 G HN 0.746 nan 8.290 nan 0.000 0.611 171 K N -0.191 120.205 120.400 -0.006 0.000 2.515 171 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 171 K C 0.962 177.555 176.600 -0.012 0.000 1.038 171 K CA 1.568 57.850 56.287 -0.009 0.000 0.967 171 K CB 0.320 32.815 32.500 -0.008 0.000 0.780 171 K HN 0.409 nan 8.250 nan 0.000 0.483 172 E N 1.161 121.355 120.200 -0.010 0.000 2.498 172 E HA 0.096 4.446 4.350 -0.000 0.000 0.203 172 E C 0.779 177.373 176.600 -0.010 0.000 1.013 172 E CA 0.080 56.473 56.400 -0.011 0.000 0.927 172 E CB 0.854 30.550 29.700 -0.007 0.000 1.012 172 E HN 0.419 nan 8.360 nan 0.000 0.482 173 G N 0.876 109.671 108.800 -0.008 0.000 2.616 173 G HA2 0.297 4.257 3.960 -0.000 0.000 0.268 173 G HA3 0.297 4.257 3.960 -0.000 0.000 0.268 173 G C 0.104 174.999 174.900 -0.008 0.000 1.213 173 G CA -0.473 44.623 45.100 -0.006 0.000 0.926 173 G HN -0.062 nan 8.290 nan 0.000 0.523 174 V N 0.676 120.588 119.914 -0.004 0.000 2.530 174 V HA 0.356 4.476 4.120 -0.000 0.000 0.282 174 V C 0.293 176.383 176.094 -0.006 0.000 1.048 174 V CA 0.179 62.475 62.300 -0.006 0.000 0.997 174 V CB 0.629 32.453 31.823 0.000 0.000 0.987 174 V HN 0.429 nan 8.190 nan 0.000 0.477 175 I N 3.834 124.399 120.570 -0.009 0.000 2.569 175 I HA 0.529 4.699 4.170 -0.000 0.000 0.290 175 I C -0.186 175.928 176.117 -0.004 0.000 1.088 175 I CA -0.181 61.116 61.300 -0.006 0.000 1.047 175 I CB 2.563 40.559 38.000 -0.007 0.000 1.237 175 I HN 0.578 nan 8.210 nan 0.000 0.421 176 T N 4.428 118.981 114.554 -0.001 0.000 2.916 176 T HA 0.677 5.027 4.350 -0.000 0.000 0.292 176 T C -0.739 173.964 174.700 0.003 0.000 1.064 176 T CA -0.683 61.418 62.100 0.001 0.000 1.011 176 T CB 2.577 71.445 68.868 -0.000 0.000 1.152 176 T HN 0.445 nan 8.240 nan 0.000 0.510 177 V N -0.813 119.104 119.914 0.006 0.000 2.709 177 V HA 0.856 4.976 4.120 -0.000 0.000 0.308 177 V C -1.081 175.016 176.094 0.004 0.000 1.062 177 V CA -0.814 61.489 62.300 0.006 0.000 0.901 177 V CB 1.783 33.611 31.823 0.009 0.000 1.003 177 V HN 0.940 nan 8.190 nan 0.000 0.425 178 E N 1.802 122.003 120.200 0.003 0.000 2.393 178 E HA 0.406 4.756 4.350 -0.000 0.000 0.273 178 E C -1.489 175.112 176.600 0.001 0.000 0.918 178 E CA -1.033 55.368 56.400 0.001 0.000 0.773 178 E CB 1.967 31.667 29.700 -0.000 0.000 1.275 178 E HN 0.799 nan 8.360 nan 0.000 0.451 179 D N 1.083 121.483 120.400 0.000 0.000 2.478 179 D HA 0.078 4.718 4.640 -0.000 0.000 0.234 179 D C 0.205 176.505 176.300 -0.001 0.000 1.154 179 D CA 0.586 54.587 54.000 0.000 0.000 0.874 179 D CB 0.843 41.643 40.800 -0.000 0.000 1.198 179 D HN 0.492 nan 8.370 nan 0.000 0.455 180 G N -0.357 108.442 108.800 -0.001 0.000 2.528 180 G HA2 0.252 4.212 3.960 -0.000 0.000 0.289 180 G HA3 0.252 4.212 3.960 -0.000 0.000 0.289 180 G C 1.106 176.005 174.900 -0.001 0.000 1.192 180 G CA -0.191 44.908 45.100 -0.001 0.000 0.921 180 G HN 0.446 nan 8.290 nan 0.000 0.512 181 T N -2.992 111.561 114.554 -0.002 0.000 3.055 181 T HA 0.394 4.744 4.350 -0.000 0.000 0.265 181 T C 1.107 175.806 174.700 -0.002 0.000 1.111 181 T CA 0.792 62.891 62.100 -0.002 0.000 1.118 181 T CB -0.055 68.811 68.868 -0.002 0.000 0.909 181 T HN 2.090 nan 8.240 nan 0.000 0.501 182 G N 1.503 110.302 108.800 -0.001 0.000 3.160 182 G HA2 0.350 4.310 3.960 -0.000 0.000 0.573 182 G HA3 0.350 4.310 3.960 -0.000 0.000 0.573 182 G C -0.828 174.072 174.900 -0.001 0.000 1.286 182 G CA -0.683 44.416 45.100 -0.001 0.000 1.151 182 G HN 0.752 nan 8.290 nan 0.000 0.555 183 L N 0.829 122.052 121.223 -0.001 0.000 0.651 183 L HA -0.157 4.183 4.340 -0.000 0.000 0.358 183 L C 0.354 177.224 176.870 -0.001 0.000 1.004 183 L CA 2.174 57.014 54.840 -0.001 0.000 1.222 183 L CB -0.684 41.374 42.059 -0.001 0.000 0.111 183 L HN 1.985 nan 8.230 nan 0.000 0.117 184 Q N 1.925 121.724 119.800 -0.001 0.000 3.203 184 Q HA -0.104 4.236 4.340 -0.000 0.000 0.033 184 Q C -0.631 175.369 176.000 -0.000 0.000 1.693 184 Q CA 1.052 56.854 55.803 -0.000 0.000 0.254 184 Q CB -0.146 28.592 28.738 -0.001 0.000 0.583 184 Q HN 0.657 nan 8.270 nan 0.000 0.322 185 D N 2.616 123.016 120.400 -0.000 0.000 2.329 185 D HA 0.277 4.917 4.640 -0.000 0.000 0.246 185 D C -0.085 176.215 176.300 -0.000 0.000 1.111 185 D CA 0.089 54.089 54.000 0.000 0.000 0.941 185 D CB 0.818 41.619 40.800 0.001 0.000 1.169 185 D HN 0.314 nan 8.370 nan 0.000 0.441 186 E N 0.141 120.341 120.200 0.000 0.000 2.272 186 E HA 0.456 4.806 4.350 -0.000 0.000 0.269 186 E C -1.148 175.452 176.600 0.000 0.000 0.877 186 E CA -0.871 55.529 56.400 -0.000 0.000 0.755 186 E CB 2.434 32.134 29.700 -0.001 0.000 1.192 186 E HN 0.065 nan 8.360 nan 0.000 0.422 187 L N 4.213 125.436 121.223 -0.000 0.000 2.406 187 L HA 0.419 4.759 4.340 -0.000 0.000 0.270 187 L C -1.842 175.028 176.870 -0.000 0.000 0.982 187 L CA -0.318 54.522 54.840 0.000 0.000 0.843 187 L CB 1.120 43.179 42.059 0.000 0.000 1.225 187 L HN 0.490 nan 8.230 nan 0.000 0.412 188 D N 4.220 124.620 120.400 -0.000 0.000 2.879 188 D HA 0.349 4.989 4.640 -0.000 0.000 0.236 188 D C -1.006 175.294 176.300 0.000 0.000 1.171 188 D CA -0.472 53.528 54.000 -0.000 0.000 0.868 188 D CB 2.257 43.057 40.800 -0.001 0.000 1.598 188 D HN 0.227 nan 8.370 nan 0.000 0.497 189 V N 1.253 121.167 119.914 0.000 0.000 2.432 189 V HA 0.377 4.497 4.120 -0.000 0.000 0.275 189 V C 0.861 176.956 176.094 0.001 0.000 1.043 189 V CA -0.568 61.733 62.300 0.001 0.000 0.925 189 V CB 0.889 32.713 31.823 0.001 0.000 0.985 189 V HN 0.586 nan 8.190 nan 0.000 0.466 190 V N 2.000 121.915 119.914 0.002 0.000 3.166 190 V HA 0.680 4.800 4.120 -0.000 0.000 0.317 190 V C -0.122 175.975 176.094 0.005 0.000 1.136 190 V CA -1.003 61.298 62.300 0.002 0.000 1.035 190 V CB 2.109 33.933 31.823 0.002 0.000 1.110 190 V HN 0.662 nan 8.190 nan 0.000 0.450 191 E N 1.675 121.878 120.200 0.005 0.000 2.104 191 E HA 0.571 4.921 4.350 -0.000 0.000 0.278 191 E C 0.145 176.753 176.600 0.013 0.000 1.127 191 E CA 0.650 57.054 56.400 0.008 0.000 0.897 191 E CB 0.689 30.392 29.700 0.007 0.000 1.043 191 E HN 1.088 nan 8.360 nan 0.000 0.410 192 G N 1.779 110.589 108.800 0.017 0.000 2.708 192 G HA2 0.710 4.670 3.960 -0.000 0.000 0.289 192 G HA3 0.710 4.670 3.960 -0.000 0.000 0.289 192 G C -1.097 173.825 174.900 0.037 0.000 1.416 192 G CA -0.591 44.525 45.100 0.026 0.000 0.829 192 G HN 0.379 nan 8.290 nan 0.000 0.480 193 M N -0.151 119.484 119.600 0.059 0.000 2.603 193 M HA 0.555 5.035 4.480 -0.000 0.000 0.275 193 M C -2.292 174.081 176.300 0.122 0.000 1.226 193 M CA -0.668 54.683 55.300 0.086 0.000 0.870 193 M CB 2.582 35.239 32.600 0.096 0.000 1.716 193 M HN 0.609 nan 8.290 nan 0.000 0.482 194 Q N 3.548 123.426 119.800 0.130 0.000 2.274 194 Q HA 0.565 4.905 4.340 -0.000 0.000 0.268 194 Q C -2.191 173.907 176.000 0.163 0.000 1.015 194 Q CA -0.591 55.263 55.803 0.085 0.000 0.775 194 Q CB 1.844 30.583 28.738 0.002 0.000 1.256 194 Q HN 0.591 nan 8.270 nan 0.000 0.442 195 F N 0.147 120.090 119.950 -0.011 0.000 2.579 195 F HA 0.537 5.064 4.527 -0.000 0.000 0.324 195 F C -0.320 175.473 175.800 -0.013 0.000 1.058 195 F CA -1.320 56.675 58.000 -0.008 0.000 0.944 195 F CB 0.934 39.932 39.000 -0.004 0.000 1.245 195 F HN 0.272 nan 8.300 nan 0.000 0.477 196 D N 3.482 123.944 120.400 0.104 0.000 2.545 196 D HA 0.173 4.813 4.640 -0.000 0.000 0.227 196 D C -0.252 176.055 176.300 0.011 0.000 1.150 196 D CA 0.334 54.336 54.000 0.004 0.000 1.046 196 D CB -0.114 40.710 40.800 0.039 0.000 1.098 196 D HN 0.311 nan 8.370 nan 0.000 0.502 197 R N 0.579 120.996 120.500 -0.137 0.000 2.515 197 R HA 0.459 4.798 4.340 -0.000 0.000 0.278 197 R C 0.124 176.293 176.300 -0.219 0.000 1.107 197 R CA -0.688 55.362 56.100 -0.084 0.000 0.945 197 R CB 1.919 32.299 30.300 0.134 0.000 1.219 197 R HN 0.273 nan 8.270 nan 0.000 0.434 198 G N 1.119 109.797 108.800 -0.202 0.000 2.613 198 G HA2 0.468 4.428 3.960 -0.000 0.000 0.303 198 G HA3 0.468 4.428 3.960 -0.000 0.000 0.303 198 G C -0.599 174.166 174.900 -0.225 0.000 1.312 198 G CA -0.586 44.312 45.100 -0.337 0.000 1.036 198 G HN 0.429 nan 8.290 nan 0.000 0.513 199 Y N -1.151 119.150 120.300 0.001 0.000 2.702 199 Y HA 0.216 4.766 4.550 -0.000 0.000 0.336 199 Y C 1.110 177.082 175.900 0.121 0.000 1.235 199 Y CA -0.970 57.160 58.100 0.050 0.000 1.492 199 Y CB 0.252 38.804 38.460 0.154 0.000 1.308 199 Y HN 0.180 nan 8.280 nan 0.000 0.589 200 L N 2.919 124.367 121.223 0.375 0.000 2.693 200 L HA 0.109 4.449 4.340 -0.000 0.000 0.242 200 L C 0.050 177.173 176.870 0.421 0.000 1.157 200 L CA 0.740 55.781 54.840 0.334 0.000 0.929 200 L CB -1.103 41.110 42.059 0.258 0.000 1.103 200 L HN 0.917 nan 8.230 nan 0.000 0.430 201 S N -3.953 112.078 115.700 0.552 0.000 2.785 201 S HA 0.218 4.688 4.470 -0.000 0.000 0.286 201 S C -2.966 171.653 174.600 0.033 0.000 0.918 201 S CA -1.239 57.137 58.200 0.293 0.000 0.866 201 S CB 0.715 64.028 63.200 0.188 0.000 1.087 201 S HN -0.244 nan 8.310 nan 0.000 0.472 202 P HA 0.392 nan 4.420 nan 0.000 0.321 202 P C 0.395 177.378 177.300 -0.528 0.000 1.338 202 P CA 0.604 63.291 63.100 -0.688 0.000 0.764 202 P CB -0.130 31.149 31.700 -0.701 0.000 1.641 203 Y N -4.930 115.167 120.300 -0.338 0.000 2.818 203 Y HA -0.309 4.241 4.550 -0.000 0.000 0.487 203 Y C 1.890 177.638 175.900 -0.254 0.000 1.146 203 Y CA 1.529 59.443 58.100 -0.309 0.000 2.839 203 Y CB -3.088 35.127 38.460 -0.410 0.000 0.893 203 Y HN 0.107 nan 8.280 nan 0.000 0.545 204 F N 0.604 120.539 119.950 -0.026 0.000 2.250 204 F HA -0.087 4.440 4.527 -0.000 0.000 0.301 204 F C 1.471 177.222 175.800 -0.082 0.000 1.077 204 F CA 0.879 58.857 58.000 -0.038 0.000 1.348 204 F CB -0.613 38.370 39.000 -0.028 0.000 1.040 204 F HN 0.004 nan 8.300 nan 0.000 0.509 205 I N 2.579 123.126 120.570 -0.038 0.000 2.691 205 I HA -0.153 4.017 4.170 -0.000 0.000 0.288 205 I C 0.871 176.986 176.117 -0.003 0.000 1.143 205 I CA 0.190 61.452 61.300 -0.063 0.000 1.364 205 I CB -0.143 37.747 38.000 -0.183 0.000 1.435 205 I HN 0.195 nan 8.210 nan 0.000 0.551 206 N N 5.308 124.029 118.700 0.034 0.000 2.373 206 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 206 N C 0.089 175.611 175.510 0.020 0.000 1.082 206 N CA 0.339 53.409 53.050 0.033 0.000 0.885 206 N CB 0.259 38.774 38.487 0.046 0.000 0.977 206 N HN 0.446 nan 8.380 nan 0.000 0.462 207 K N 1.008 121.419 120.400 0.017 0.000 2.624 207 K HA 0.241 4.561 4.320 -0.000 0.000 0.200 207 K C -2.103 174.501 176.600 0.007 0.000 1.036 207 K CA -1.744 54.551 56.287 0.013 0.000 1.029 207 K CB 2.022 34.533 32.500 0.018 0.000 1.317 207 K HN 0.024 nan 8.250 nan 0.000 0.555 208 P HA -0.166 nan 4.420 nan 0.000 0.226 208 P C 0.222 177.518 177.300 -0.007 0.000 1.146 208 P CA 1.098 64.190 63.100 -0.013 0.000 0.773 208 P CB 0.496 32.185 31.700 -0.019 0.000 0.772 209 E N -0.225 119.973 120.200 -0.002 0.000 2.110 209 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 209 E C 1.530 178.128 176.600 -0.003 0.000 0.988 209 E CA 1.592 57.990 56.400 -0.004 0.000 0.804 209 E CB -0.929 28.770 29.700 -0.002 0.000 0.745 209 E HN 0.262 nan 8.360 nan 0.000 0.458 210 T N -1.425 113.133 114.554 0.007 0.000 3.044 210 T HA 0.277 4.627 4.350 -0.000 0.000 0.260 210 T C 1.088 175.806 174.700 0.030 0.000 1.019 210 T CA 0.238 62.346 62.100 0.013 0.000 0.921 210 T CB 0.782 69.663 68.868 0.021 0.000 1.053 210 T HN 0.314 nan 8.240 nan 0.000 0.533 211 G N 1.840 110.657 108.800 0.027 0.000 2.283 211 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.280 211 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.280 211 G C 0.159 175.131 174.900 0.120 0.000 1.029 211 G CA 0.290 45.417 45.100 0.045 0.000 0.840 211 G HN 0.916 nan 8.290 nan 0.000 0.505 212 A N -1.662 121.219 122.820 0.102 0.000 2.437 212 A HA 0.942 5.262 4.320 -0.000 0.000 0.292 212 A C -0.285 177.367 177.584 0.114 0.000 1.173 212 A CA -0.221 51.911 52.037 0.158 0.000 0.785 212 A CB 1.927 20.988 19.000 0.102 0.000 1.351 212 A HN 1.168 nan 8.150 nan 0.000 0.431 213 V N 0.700 120.700 119.914 0.143 0.000 2.459 213 V HA 0.577 4.697 4.120 -0.000 0.000 0.295 213 V C -0.201 175.932 176.094 0.064 0.000 1.029 213 V CA -0.402 61.960 62.300 0.104 0.000 0.874 213 V CB 1.350 33.257 31.823 0.139 0.000 0.985 213 V HN 0.912 nan 8.190 nan 0.000 0.438 214 E N 4.153 124.381 120.200 0.045 0.000 2.246 214 E HA 0.676 5.026 4.350 -0.000 0.000 0.266 214 E C -1.819 174.793 176.600 0.020 0.000 0.880 214 E CA -0.586 55.830 56.400 0.026 0.000 0.762 214 E CB 1.753 31.465 29.700 0.020 0.000 1.180 214 E HN 0.632 nan 8.360 nan 0.000 0.416 215 L N 3.097 124.325 121.223 0.009 0.000 2.362 215 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 215 L C -0.456 176.405 176.870 -0.014 0.000 1.002 215 L CA -0.873 53.967 54.840 0.000 0.000 0.818 215 L CB 2.119 44.177 42.059 -0.001 0.000 1.298 215 L HN 0.515 nan 8.230 nan 0.000 0.420 216 E N 0.963 121.149 120.200 -0.025 0.000 2.158 216 E HA 0.320 4.670 4.350 -0.000 0.000 0.271 216 E C -0.507 176.050 176.600 -0.071 0.000 0.911 216 E CA -0.590 55.787 56.400 -0.038 0.000 0.767 216 E CB 1.714 31.397 29.700 -0.029 0.000 1.120 216 E HN 0.603 nan 8.360 nan 0.000 0.405 217 S N 2.021 117.669 115.700 -0.087 0.000 3.550 217 S HA -0.131 4.339 4.470 -0.000 0.000 0.372 217 S C -2.167 172.291 174.600 -0.237 0.000 0.966 217 S CA 0.408 58.520 58.200 -0.146 0.000 1.229 217 S CB -1.394 61.722 63.200 -0.140 0.000 0.917 217 S HN 0.482 nan 8.310 nan 0.000 0.496 218 P HA 0.601 nan 4.420 nan 0.000 0.283 218 P C -0.268 176.889 177.300 -0.237 0.000 1.278 218 P CA -0.790 62.193 63.100 -0.196 0.000 0.834 218 P CB 0.639 32.303 31.700 -0.059 0.000 1.150 219 F N 0.097 120.053 119.950 0.010 0.000 2.379 219 F HA 0.410 4.937 4.527 -0.000 0.000 0.332 219 F C 0.864 176.669 175.800 0.009 0.000 1.096 219 F CA -0.326 57.680 58.000 0.009 0.000 1.105 219 F CB 0.608 39.613 39.000 0.008 0.000 1.189 219 F HN 0.018 nan 8.300 nan 0.000 0.515 220 I N 4.732 125.434 120.570 0.219 0.000 2.390 220 I HA 0.206 4.376 4.170 -0.000 0.000 0.283 220 I C -1.056 175.117 176.117 0.092 0.000 1.016 220 I CA -0.879 60.494 61.300 0.122 0.000 1.151 220 I CB 1.455 39.507 38.000 0.088 0.000 1.293 220 I HN 0.272 nan 8.210 nan 0.000 0.458 221 L N 8.327 129.591 121.223 0.069 0.000 2.315 221 L HA 0.359 4.699 4.340 -0.000 0.000 0.283 221 L C -0.607 176.278 176.870 0.025 0.000 1.089 221 L CA 0.260 55.123 54.840 0.038 0.000 0.833 221 L CB 0.460 42.536 42.059 0.028 0.000 1.170 221 L HN 0.484 nan 8.230 nan 0.000 0.442 222 L N 6.900 128.131 121.223 0.012 0.000 2.417 222 L HA 0.532 4.872 4.340 -0.000 0.000 0.258 222 L C 0.244 177.110 176.870 -0.006 0.000 1.088 222 L CA -0.378 54.460 54.840 -0.003 0.000 0.975 222 L CB 0.484 42.535 42.059 -0.013 0.000 1.341 222 L HN 0.791 nan 8.230 nan 0.000 0.431 223 A N 0.772 123.592 122.820 -0.001 0.000 2.276 223 A HA 0.253 4.573 4.320 -0.000 0.000 0.300 223 A C 0.017 177.600 177.584 -0.002 0.000 1.235 223 A CA -0.425 51.612 52.037 0.000 0.000 0.867 223 A CB 0.398 19.403 19.000 0.007 0.000 1.137 223 A HN 0.595 nan 8.150 nan 0.000 0.527 224 D N 2.384 122.781 120.400 -0.005 0.000 2.845 224 D HA 0.335 4.975 4.640 -0.000 0.000 0.235 224 D C 0.086 176.388 176.300 0.003 0.000 1.158 224 D CA 0.179 54.175 54.000 -0.006 0.000 0.990 224 D CB -0.600 40.193 40.800 -0.013 0.000 1.094 224 D HN 0.649 nan 8.370 nan 0.000 0.486 225 K N -0.960 119.446 120.400 0.010 0.000 2.809 225 K HA 0.266 4.586 4.320 -0.000 0.000 0.293 225 K C -1.236 175.378 176.600 0.023 0.000 1.061 225 K CA -1.166 55.131 56.287 0.016 0.000 0.837 225 K CB 0.648 33.156 32.500 0.013 0.000 1.524 225 K HN -0.180 nan 8.250 nan 0.000 0.370 226 K N 0.872 121.288 120.400 0.027 0.000 2.144 226 K HA 0.441 4.761 4.320 -0.000 0.000 0.270 226 K C -0.534 176.084 176.600 0.030 0.000 1.005 226 K CA -0.517 55.789 56.287 0.032 0.000 0.932 226 K CB 0.792 33.312 32.500 0.034 0.000 1.021 226 K HN 0.373 nan 8.250 nan 0.000 0.462 227 I N 1.962 122.553 120.570 0.035 0.000 2.411 227 I HA 0.080 4.250 4.170 -0.000 0.000 0.284 227 I C 0.294 176.433 176.117 0.037 0.000 1.012 227 I CA -0.088 61.233 61.300 0.034 0.000 1.119 227 I CB 1.818 39.840 38.000 0.036 0.000 1.261 227 I HN 0.641 nan 8.210 nan 0.000 0.448 228 S N 3.299 119.018 115.700 0.031 0.000 2.566 228 S HA 0.197 4.667 4.470 -0.000 0.000 0.234 228 S C 0.679 175.296 174.600 0.027 0.000 1.075 228 S CA -0.022 58.196 58.200 0.031 0.000 0.926 228 S CB 0.228 63.443 63.200 0.026 0.000 0.811 228 S HN 0.581 nan 8.310 nan 0.000 0.518 229 N N 1.887 120.600 118.700 0.023 0.000 2.455 229 N HA 0.286 5.026 4.740 -0.000 0.000 0.280 229 N C 0.504 176.027 175.510 0.020 0.000 1.055 229 N CA -0.099 52.962 53.050 0.019 0.000 0.961 229 N CB 1.686 40.182 38.487 0.014 0.000 1.121 229 N HN 0.172 nan 8.380 nan 0.000 0.476 230 I N 2.708 123.290 120.570 0.020 0.000 2.493 230 I HA -0.188 3.982 4.170 -0.000 0.000 0.254 230 I C 1.940 178.066 176.117 0.016 0.000 1.160 230 I CA 0.888 62.201 61.300 0.021 0.000 1.445 230 I CB 0.210 38.222 38.000 0.020 0.000 1.086 230 I HN 0.417 nan 8.210 nan 0.000 0.433 231 R N 0.968 121.475 120.500 0.012 0.000 2.134 231 R HA -0.265 4.075 4.340 -0.000 0.000 0.248 231 R C 2.001 178.305 176.300 0.007 0.000 1.143 231 R CA 2.366 58.470 56.100 0.008 0.000 0.957 231 R CB -0.646 29.658 30.300 0.006 0.000 0.867 231 R HN 0.559 nan 8.270 nan 0.000 0.441 232 E N -0.078 120.127 120.200 0.008 0.000 2.118 232 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 232 E C 2.009 178.612 176.600 0.005 0.000 0.992 232 E CA 1.169 57.573 56.400 0.006 0.000 0.804 232 E CB -0.039 29.667 29.700 0.009 0.000 0.741 232 E HN 0.285 nan 8.360 nan 0.000 0.458 233 M N 0.208 119.814 119.600 0.010 0.000 2.334 233 M HA -0.010 4.470 4.480 -0.000 0.000 0.266 233 M C 2.337 178.640 176.300 0.006 0.000 1.082 233 M CA 0.881 56.188 55.300 0.011 0.000 1.141 233 M CB -0.777 31.836 32.600 0.022 0.000 1.380 233 M HN 0.139 nan 8.290 nan 0.000 0.440 234 L N 0.757 121.984 121.223 0.007 0.000 2.058 234 L HA -0.273 4.067 4.340 -0.000 0.000 0.226 234 L C -0.176 176.692 176.870 -0.003 0.000 1.089 234 L CA 2.071 56.913 54.840 0.004 0.000 0.799 234 L CB -2.687 39.374 42.059 0.003 0.000 0.900 234 L HN 0.205 nan 8.230 nan 0.000 0.442 235 P HA -0.121 nan 4.420 nan 0.000 0.215 235 P C 1.853 179.136 177.300 -0.027 0.000 1.157 235 P CA 1.571 64.661 63.100 -0.016 0.000 0.863 235 P CB 0.014 31.704 31.700 -0.017 0.000 0.787 236 V N 0.331 120.228 119.914 -0.029 0.000 2.453 236 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 236 V C 2.889 178.959 176.094 -0.039 0.000 1.048 236 V CA 1.259 63.531 62.300 -0.047 0.000 1.049 236 V CB -1.241 30.557 31.823 -0.041 0.000 0.672 236 V HN -0.021 nan 8.190 nan 0.000 0.457 237 L N -0.109 121.107 121.223 -0.012 0.000 2.079 237 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 237 L C 2.581 179.454 176.870 0.004 0.000 1.081 237 L CA 1.765 56.609 54.840 0.007 0.000 0.752 237 L CB -0.602 41.469 42.059 0.019 0.000 0.896 237 L HN 0.416 nan 8.230 nan 0.000 0.433 238 E N 0.062 120.258 120.200 -0.006 0.000 2.107 238 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 238 E C 2.323 178.913 176.600 -0.016 0.000 0.982 238 E CA 0.947 57.344 56.400 -0.005 0.000 0.809 238 E CB -0.149 29.547 29.700 -0.006 0.000 0.756 238 E HN 0.478 nan 8.360 nan 0.000 0.459 239 A N 1.005 123.800 122.820 -0.043 0.000 1.972 239 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 239 A C 2.355 179.884 177.584 -0.092 0.000 1.169 239 A CA 1.076 53.066 52.037 -0.077 0.000 0.635 239 A CB -0.296 18.634 19.000 -0.117 0.000 0.810 239 A HN 0.122 nan 8.150 nan 0.000 0.446 240 V N -0.779 119.096 119.914 -0.065 0.000 3.052 240 V HA -0.011 4.109 4.120 -0.000 0.000 0.254 240 V C 2.805 178.948 176.094 0.082 0.000 1.100 240 V CA 1.035 63.340 62.300 0.009 0.000 1.112 240 V CB -0.721 31.136 31.823 0.057 0.000 0.738 240 V HN 0.571 nan 8.190 nan 0.000 0.469 241 A N 0.172 123.018 122.820 0.043 0.000 1.940 241 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 241 A C 1.578 179.195 177.584 0.054 0.000 1.176 241 A CA 1.316 53.381 52.037 0.047 0.000 0.631 241 A CB -0.196 18.820 19.000 0.027 0.000 0.814 241 A HN 0.541 nan 8.150 nan 0.000 0.446 242 K N -2.965 117.463 120.400 0.047 0.000 2.318 242 K HA 0.474 4.794 4.320 -0.000 0.000 0.243 242 K C 1.066 177.725 176.600 0.098 0.000 1.047 242 K CA 0.126 56.444 56.287 0.052 0.000 0.937 242 K CB 0.196 32.715 32.500 0.030 0.000 1.225 242 K HN 0.675 nan 8.250 nan 0.000 0.506 243 A N -0.068 122.811 122.820 0.098 0.000 3.768 243 A HA -0.219 4.101 4.320 -0.000 0.000 0.270 243 A C 1.129 178.787 177.584 0.123 0.000 1.019 243 A CA 1.514 53.637 52.037 0.143 0.000 1.058 243 A CB -2.492 16.674 19.000 0.278 0.000 1.085 243 A HN 1.352 nan 8.150 nan 0.000 0.857 244 G N -1.027 107.833 108.800 0.101 0.000 2.395 244 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.300 244 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.300 244 G C -0.066 174.869 174.900 0.058 0.000 0.998 244 G CA 1.480 46.622 45.100 0.070 0.000 1.046 244 G HN 1.154 nan 8.290 nan 0.000 0.513 245 K N 0.497 120.957 120.400 0.100 0.000 2.316 245 K HA 0.511 4.830 4.320 -0.000 0.000 0.251 245 K C -2.277 174.370 176.600 0.080 0.000 0.934 245 K CA -2.061 54.236 56.287 0.017 0.000 0.802 245 K CB 2.886 35.266 32.500 -0.200 0.000 1.171 245 K HN 0.064 nan 8.250 nan 0.000 0.426 246 P HA 0.132 nan 4.420 nan 0.000 0.274 246 P C -1.153 176.203 177.300 0.093 0.000 1.246 246 P CA -0.577 62.556 63.100 0.056 0.000 0.795 246 P CB 0.756 32.469 31.700 0.023 0.000 1.006 247 L N 1.864 123.146 121.223 0.099 0.000 2.365 247 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 247 L C -1.293 175.609 176.870 0.053 0.000 1.000 247 L CA -0.979 53.931 54.840 0.116 0.000 0.819 247 L CB 1.560 43.693 42.059 0.124 0.000 1.284 247 L HN 0.167 nan 8.230 nan 0.000 0.418 248 L N 6.211 127.467 121.223 0.054 0.000 2.298 248 L HA 0.581 4.921 4.340 -0.000 0.000 0.284 248 L C -1.135 175.749 176.870 0.025 0.000 1.013 248 L CA -0.206 54.643 54.840 0.015 0.000 0.824 248 L CB 1.029 43.107 42.059 0.031 0.000 1.221 248 L HN 0.421 nan 8.230 nan 0.000 0.418 249 I N 7.238 127.802 120.570 -0.009 0.000 2.297 249 I HA 0.247 4.416 4.170 -0.000 0.000 0.291 249 I C 0.085 176.217 176.117 0.024 0.000 1.033 249 I CA -0.051 61.255 61.300 0.009 0.000 1.253 249 I CB 0.846 38.846 38.000 -0.001 0.000 1.396 249 I HN 0.579 nan 8.210 nan 0.000 0.476 250 I N 6.202 126.796 120.570 0.041 0.000 2.523 250 I HA 0.374 4.544 4.170 -0.000 0.000 0.281 250 I C 0.603 176.736 176.117 0.026 0.000 1.126 250 I CA -0.167 61.165 61.300 0.054 0.000 1.187 250 I CB 0.619 38.648 38.000 0.049 0.000 1.478 250 I HN 0.597 nan 8.210 nan 0.000 0.522 251 A N 3.079 125.920 122.820 0.034 0.000 2.263 251 A HA 0.381 4.701 4.320 -0.000 0.000 0.318 251 A C 1.210 178.815 177.584 0.035 0.000 1.111 251 A CA -0.460 51.593 52.037 0.027 0.000 0.901 251 A CB 0.932 19.950 19.000 0.031 0.000 1.280 251 A HN 0.633 nan 8.150 nan 0.000 0.503 252 E N -0.859 119.360 120.200 0.031 0.000 2.153 252 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 252 E C -0.526 176.106 176.600 0.053 0.000 0.988 252 E CA 1.515 57.940 56.400 0.040 0.000 0.811 252 E CB 0.109 29.831 29.700 0.036 0.000 0.746 252 E HN 0.652 nan 8.360 nan 0.000 0.466 253 D N -2.188 118.243 120.400 0.052 0.000 2.820 253 D HA 0.034 4.674 4.640 -0.000 0.000 0.244 253 D C -1.958 174.378 176.300 0.060 0.000 1.106 253 D CA -0.444 53.592 54.000 0.060 0.000 0.741 253 D CB 1.253 42.088 40.800 0.058 0.000 2.042 253 D HN -0.131 nan 8.370 nan 0.000 0.459 254 V N 3.285 123.243 119.914 0.073 0.000 2.293 254 V HA 0.392 4.512 4.120 -0.000 0.000 0.275 254 V C 0.267 176.412 176.094 0.085 0.000 1.021 254 V CA -0.562 61.786 62.300 0.079 0.000 0.815 254 V CB 1.033 32.915 31.823 0.098 0.000 1.025 254 V HN 0.441 nan 8.190 nan 0.000 0.448 255 E N 2.701 122.941 120.200 0.067 0.000 2.345 255 E HA 0.367 4.717 4.350 -0.000 0.000 0.259 255 E C 1.456 178.092 176.600 0.060 0.000 1.117 255 E CA 0.168 56.604 56.400 0.061 0.000 0.913 255 E CB 1.024 30.752 29.700 0.046 0.000 1.057 255 E HN 0.660 nan 8.360 nan 0.000 0.432 256 G N 1.717 110.548 108.800 0.053 0.000 2.864 256 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.250 256 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.250 256 G C 1.292 176.215 174.900 0.038 0.000 1.154 256 G CA 1.444 46.570 45.100 0.044 0.000 0.755 256 G HN 0.673 nan 8.290 nan 0.000 0.697 257 E N 1.043 121.262 120.200 0.030 0.000 2.072 257 E HA -0.273 4.077 4.350 -0.000 0.000 0.218 257 E C 2.960 179.579 176.600 0.032 0.000 1.051 257 E CA 2.177 58.592 56.400 0.025 0.000 0.880 257 E CB -0.915 28.798 29.700 0.022 0.000 0.783 257 E HN 0.425 nan 8.360 nan 0.000 0.473 258 A N 0.878 123.723 122.820 0.041 0.000 1.877 258 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 258 A C 2.355 179.984 177.584 0.075 0.000 1.186 258 A CA 1.733 53.801 52.037 0.052 0.000 0.620 258 A CB -0.797 18.234 19.000 0.053 0.000 0.822 258 A HN 0.355 nan 8.150 nan 0.000 0.443 259 L N -0.155 121.122 121.223 0.090 0.000 2.017 259 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 259 L C 2.715 179.638 176.870 0.087 0.000 1.073 259 L CA 2.283 57.204 54.840 0.135 0.000 0.745 259 L CB -0.875 41.270 42.059 0.143 0.000 0.894 259 L HN 0.356 nan 8.230 nan 0.000 0.432 260 A N -1.593 121.251 122.820 0.040 0.000 1.917 260 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 260 A C 2.261 179.830 177.584 -0.025 0.000 1.182 260 A CA 2.495 54.525 52.037 -0.011 0.000 0.633 260 A CB -1.276 17.717 19.000 -0.011 0.000 0.819 260 A HN 0.549 nan 8.150 nan 0.000 0.448 261 T N 0.532 115.090 114.554 0.007 0.000 2.708 261 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 261 T C 1.822 176.534 174.700 0.019 0.000 1.037 261 T CA 1.470 63.573 62.100 0.006 0.000 1.146 261 T CB -0.439 68.442 68.868 0.020 0.000 0.865 261 T HN 0.385 nan 8.240 nan 0.000 0.435 262 L N 0.927 122.192 121.223 0.071 0.000 2.079 262 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 262 L C 2.652 179.574 176.870 0.086 0.000 1.081 262 L CA 0.935 55.858 54.840 0.139 0.000 0.752 262 L CB -0.821 41.399 42.059 0.270 0.000 0.896 262 L HN 0.158 nan 8.230 nan 0.000 0.433 263 V N -0.928 118.954 119.914 -0.053 0.000 2.427 263 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 263 V C 2.341 178.294 176.094 -0.235 0.000 1.051 263 V CA 1.324 63.453 62.300 -0.284 0.000 1.048 263 V CB -0.144 31.454 31.823 -0.375 0.000 0.666 263 V HN 0.208 nan 8.190 nan 0.000 0.456 264 V N 0.466 120.287 119.914 -0.155 0.000 2.346 264 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 264 V C 2.062 178.110 176.094 -0.076 0.000 1.037 264 V CA 2.194 64.415 62.300 -0.132 0.000 1.029 264 V CB -0.913 30.852 31.823 -0.098 0.000 0.663 264 V HN 0.596 nan 8.190 nan 0.000 0.454 265 N N 0.780 119.460 118.700 -0.033 0.000 2.058 265 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 265 N C 1.880 177.395 175.510 0.008 0.000 1.037 265 N CA 1.880 54.927 53.050 -0.004 0.000 0.848 265 N CB -0.288 38.211 38.487 0.019 0.000 1.021 265 N HN 0.632 nan 8.380 nan 0.000 0.422 266 T N -1.034 113.539 114.554 0.031 0.000 3.051 266 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 266 T C 1.638 176.346 174.700 0.015 0.000 1.127 266 T CA 0.636 62.770 62.100 0.057 0.000 1.107 266 T CB -0.055 68.900 68.868 0.146 0.000 0.898 266 T HN 0.054 nan 8.240 nan 0.000 0.517 267 M N 0.787 120.365 119.600 -0.037 0.000 2.447 267 M HA 0.287 4.767 4.480 -0.000 0.000 0.264 267 M C 1.718 177.996 176.300 -0.037 0.000 1.095 267 M CA 0.954 56.216 55.300 -0.063 0.000 1.125 267 M CB -0.009 32.508 32.600 -0.138 0.000 1.389 267 M HN 0.061 nan 8.290 nan 0.000 0.459 268 R N -0.896 119.589 120.500 -0.026 0.000 2.552 268 R HA 0.388 4.728 4.340 -0.000 0.000 0.314 268 R C 1.015 177.314 176.300 -0.002 0.000 1.041 268 R CA 0.478 56.568 56.100 -0.017 0.000 1.076 268 R CB -0.080 30.208 30.300 -0.020 0.000 1.290 268 R HN 0.514 nan 8.270 nan 0.000 0.563 269 G N 1.681 110.485 108.800 0.007 0.000 2.196 269 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.268 269 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.268 269 G C 0.386 175.299 174.900 0.021 0.000 0.975 269 G CA 0.081 45.191 45.100 0.016 0.000 0.648 269 G HN 0.376 nan 8.290 nan 0.000 0.538 270 I N 1.738 122.319 120.570 0.018 0.000 2.472 270 I HA 0.328 4.498 4.170 -0.000 0.000 0.305 270 I C 0.806 176.945 176.117 0.036 0.000 1.196 270 I CA -0.137 61.176 61.300 0.022 0.000 1.613 270 I CB -0.297 37.711 38.000 0.014 0.000 1.501 270 I HN 0.146 nan 8.210 nan 0.000 0.754 271 V N 4.106 124.045 119.914 0.042 0.000 3.511 271 V HA -0.228 3.891 4.120 -0.000 0.000 0.502 271 V C -0.045 176.090 176.094 0.069 0.000 0.682 271 V CA 0.229 62.563 62.300 0.055 0.000 2.051 271 V CB -0.897 30.960 31.823 0.057 0.000 2.482 271 V HN 0.717 nan 8.190 nan 0.000 0.508 272 K N 4.245 124.688 120.400 0.073 0.000 2.273 272 K HA 0.702 5.022 4.320 -0.000 0.000 0.287 272 K C -0.502 176.154 176.600 0.093 0.000 1.089 272 K CA -0.214 56.125 56.287 0.086 0.000 0.909 272 K CB 1.533 34.073 32.500 0.068 0.000 1.123 272 K HN 0.558 nan 8.250 nan 0.000 0.473 273 V N 1.506 121.494 119.914 0.124 0.000 2.709 273 V HA 0.812 4.932 4.120 -0.000 0.000 0.308 273 V C -0.822 175.291 176.094 0.032 0.000 1.062 273 V CA -1.123 61.228 62.300 0.086 0.000 0.901 273 V CB 2.014 33.895 31.823 0.097 0.000 1.003 273 V HN 0.746 nan 8.190 nan 0.000 0.425 274 A N 3.029 125.728 122.820 -0.202 0.000 2.393 274 A HA 1.001 5.321 4.320 -0.000 0.000 0.306 274 A C -0.435 176.805 177.584 -0.575 0.000 1.050 274 A CA -0.279 51.316 52.037 -0.735 0.000 0.724 274 A CB 1.814 20.557 19.000 -0.429 0.000 1.248 274 A HN 1.513 nan 8.150 nan 0.000 0.424 275 A N 1.107 123.445 122.820 -0.804 0.000 2.365 275 A HA 0.835 5.155 4.320 -0.000 0.000 0.318 275 A C -0.372 177.126 177.584 -0.143 0.000 1.091 275 A CA -0.152 51.715 52.037 -0.283 0.000 0.763 275 A CB 1.231 20.167 19.000 -0.107 0.000 1.248 275 A HN 2.275 nan 8.150 nan 0.000 0.442 276 V N -0.458 119.445 119.914 -0.018 0.000 2.971 276 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 276 V C -0.497 175.662 176.094 0.109 0.000 1.130 276 V CA -1.218 61.114 62.300 0.052 0.000 0.964 276 V CB 1.418 33.273 31.823 0.053 0.000 1.029 276 V HN 0.885 nan 8.190 nan 0.000 0.427 277 K N 2.156 122.627 120.400 0.118 0.000 2.336 277 K HA 0.609 4.929 4.320 -0.000 0.000 0.262 277 K C 0.462 177.163 176.600 0.168 0.000 0.992 277 K CA 0.382 56.741 56.287 0.120 0.000 0.927 277 K CB 0.924 33.486 32.500 0.103 0.000 0.956 277 K HN 1.135 nan 8.250 nan 0.000 0.495 278 A N 3.586 126.462 122.820 0.093 0.000 2.388 278 A HA 0.261 4.581 4.320 -0.000 0.000 0.257 278 A C -2.069 175.538 177.584 0.039 0.000 1.095 278 A CA -1.354 50.690 52.037 0.012 0.000 0.791 278 A CB -0.231 18.753 19.000 -0.027 0.000 1.029 278 A HN 0.467 nan 8.150 nan 0.000 0.489 279 P HA 0.317 nan 4.420 nan 0.000 0.269 279 P C 0.739 178.072 177.300 0.056 0.000 1.209 279 P CA 1.488 64.616 63.100 0.047 0.000 0.776 279 P CB 0.470 32.110 31.700 -0.100 0.000 0.876 280 G N 1.958 110.840 108.800 0.137 0.000 2.697 280 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.240 280 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.240 280 G C -0.758 174.323 174.900 0.301 0.000 1.346 280 G CA 0.123 45.347 45.100 0.207 0.000 0.887 280 G HN 0.780 nan 8.290 nan 0.000 0.569 281 F N -2.761 117.202 119.950 0.022 0.000 2.711 281 F HA 0.807 5.334 4.527 -0.000 0.000 0.313 281 F C 0.971 176.784 175.800 0.022 0.000 1.141 281 F CA 0.269 58.282 58.000 0.022 0.000 0.941 281 F CB 0.869 39.887 39.000 0.031 0.000 1.349 281 F HN 2.496 nan 8.300 nan 0.000 0.464 282 G N 1.324 110.061 108.800 -0.105 0.000 2.556 282 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.283 282 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.283 282 G C 0.320 175.119 174.900 -0.168 0.000 1.177 282 G CA 0.628 45.607 45.100 -0.201 0.000 0.978 282 G HN 0.872 nan 8.290 nan 0.000 0.554 283 D N 1.131 121.416 120.400 -0.191 0.000 2.077 283 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 283 D C 2.529 178.751 176.300 -0.130 0.000 0.986 283 D CA 1.698 55.621 54.000 -0.127 0.000 0.829 283 D CB -0.396 40.341 40.800 -0.105 0.000 0.983 283 D HN 0.728 nan 8.370 nan 0.000 0.453 284 R N 1.513 121.911 120.500 -0.169 0.000 2.185 284 R HA -0.159 4.181 4.340 -0.000 0.000 0.247 284 R C 2.209 178.441 176.300 -0.113 0.000 1.159 284 R CA 1.294 57.310 56.100 -0.140 0.000 0.988 284 R CB -0.509 29.694 30.300 -0.161 0.000 0.871 284 R HN 0.113 nan 8.270 nan 0.000 0.458 285 R N 1.606 122.038 120.500 -0.114 0.000 2.080 285 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 285 R C 1.743 178.002 176.300 -0.069 0.000 1.137 285 R CA 2.251 58.311 56.100 -0.067 0.000 0.943 285 R CB -0.131 30.152 30.300 -0.029 0.000 0.846 285 R HN 0.331 nan 8.270 nan 0.000 0.431 286 K N 0.039 120.401 120.400 -0.063 0.000 2.032 286 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 286 K C 2.199 178.761 176.600 -0.063 0.000 1.048 286 K CA 1.535 57.789 56.287 -0.055 0.000 0.927 286 K CB -0.252 32.221 32.500 -0.046 0.000 0.712 286 K HN 0.281 nan 8.250 nan 0.000 0.441 287 A N 1.357 124.137 122.820 -0.068 0.000 1.940 287 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 287 A C 2.152 179.690 177.584 -0.076 0.000 1.176 287 A CA 1.641 53.638 52.037 -0.067 0.000 0.631 287 A CB -0.481 18.478 19.000 -0.069 0.000 0.814 287 A HN 0.204 nan 8.150 nan 0.000 0.446 288 M N -1.103 118.443 119.600 -0.090 0.000 2.200 288 M HA 0.030 4.510 4.480 -0.000 0.000 0.265 288 M C 2.177 178.393 176.300 -0.141 0.000 1.066 288 M CA 1.022 56.255 55.300 -0.112 0.000 1.127 288 M CB -0.316 32.212 32.600 -0.121 0.000 1.379 288 M HN 0.442 nan 8.290 nan 0.000 0.420 289 L N 0.322 121.467 121.223 -0.130 0.000 2.187 289 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 289 L C 2.503 179.313 176.870 -0.100 0.000 1.100 289 L CA 1.326 56.086 54.840 -0.133 0.000 0.765 289 L CB -0.167 41.836 42.059 -0.094 0.000 0.904 289 L HN 0.337 nan 8.230 nan 0.000 0.437 290 Q N -0.083 119.669 119.800 -0.079 0.000 2.137 290 Q HA -0.186 4.154 4.340 -0.000 0.000 0.198 290 Q C 1.712 177.677 176.000 -0.057 0.000 0.960 290 Q CA 1.639 57.407 55.803 -0.058 0.000 0.847 290 Q CB -0.080 28.629 28.738 -0.048 0.000 0.915 290 Q HN 0.435 nan 8.270 nan 0.000 0.448 291 D N -0.005 120.354 120.400 -0.068 0.000 2.149 291 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 291 D C 1.802 178.068 176.300 -0.057 0.000 0.990 291 D CA 1.321 55.286 54.000 -0.059 0.000 0.839 291 D CB -0.005 40.756 40.800 -0.065 0.000 0.948 291 D HN 0.392 nan 8.370 nan 0.000 0.460 292 I N 1.265 121.784 120.570 -0.085 0.000 2.252 292 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 292 I C 2.647 178.742 176.117 -0.036 0.000 1.102 292 I CA 0.800 62.056 61.300 -0.074 0.000 1.385 292 I CB -0.275 37.644 38.000 -0.136 0.000 1.064 292 I HN -0.093 nan 8.210 nan 0.000 0.414 293 A N 0.722 123.519 122.820 -0.038 0.000 1.883 293 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 293 A C 2.381 179.959 177.584 -0.010 0.000 1.186 293 A CA 2.556 54.582 52.037 -0.018 0.000 0.624 293 A CB -1.207 17.781 19.000 -0.021 0.000 0.822 293 A HN 0.382 nan 8.150 nan 0.000 0.444 294 T N 0.195 114.739 114.554 -0.016 0.000 2.803 294 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 294 T C 1.743 176.440 174.700 -0.005 0.000 1.052 294 T CA 1.273 63.366 62.100 -0.011 0.000 1.136 294 T CB -0.191 68.668 68.868 -0.016 0.000 0.864 294 T HN 0.287 nan 8.240 nan 0.000 0.467 295 L N 1.713 122.933 121.223 -0.005 0.000 2.127 295 L HA 0.044 4.384 4.340 -0.000 0.000 0.203 295 L C 2.364 179.241 176.870 0.011 0.000 1.080 295 L CA 1.982 56.824 54.840 0.004 0.000 0.768 295 L CB -1.200 40.862 42.059 0.006 0.000 0.924 295 L HN 0.394 nan 8.230 nan 0.000 0.444 296 T N -3.751 110.812 114.554 0.015 0.000 3.107 296 T HA 0.219 4.569 4.350 -0.000 0.000 0.249 296 T C 1.266 175.984 174.700 0.030 0.000 1.096 296 T CA 0.383 62.498 62.100 0.025 0.000 1.012 296 T CB -0.146 68.743 68.868 0.035 0.000 0.977 296 T HN 0.518 nan 8.240 nan 0.000 0.527 297 G N 0.575 109.388 108.800 0.021 0.000 2.221 297 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.265 297 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.265 297 G C 0.360 175.278 174.900 0.030 0.000 1.041 297 G CA -0.127 44.987 45.100 0.024 0.000 0.807 297 G HN 1.020 nan 8.290 nan 0.000 0.502 298 G N -1.713 107.102 108.800 0.025 0.000 2.642 298 G HA2 0.779 4.739 3.960 -0.000 0.000 0.291 298 G HA3 0.779 4.739 3.960 -0.000 0.000 0.291 298 G C -0.429 174.476 174.900 0.008 0.000 1.345 298 G CA 0.187 45.303 45.100 0.025 0.000 1.043 298 G HN 0.711 nan 8.290 nan 0.000 0.528 299 T N 0.229 114.785 114.554 0.003 0.000 2.881 299 T HA 0.375 4.725 4.350 -0.000 0.000 0.291 299 T C -0.164 174.530 174.700 -0.009 0.000 0.990 299 T CA -0.286 61.811 62.100 -0.005 0.000 0.976 299 T CB 1.584 70.448 68.868 -0.007 0.000 0.970 299 T HN 0.368 nan 8.240 nan 0.000 0.438 300 V N 4.847 124.753 119.914 -0.014 0.000 2.540 300 V HA 0.140 4.260 4.120 -0.000 0.000 0.297 300 V C 0.539 176.625 176.094 -0.014 0.000 1.024 300 V CA 0.115 62.405 62.300 -0.017 0.000 1.105 300 V CB -0.078 31.731 31.823 -0.023 0.000 0.938 300 V HN 0.784 nan 8.190 nan 0.000 0.482 301 I N 5.628 126.191 120.570 -0.012 0.000 2.317 301 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 301 I C 0.579 176.692 176.117 -0.008 0.000 1.119 301 I CA 0.121 61.415 61.300 -0.010 0.000 1.228 301 I CB 0.367 38.362 38.000 -0.008 0.000 1.476 301 I HN 0.725 nan 8.210 nan 0.000 0.514 302 S N 2.466 118.161 115.700 -0.009 0.000 2.565 302 S HA 0.361 4.831 4.470 -0.000 0.000 0.290 302 S C 0.667 175.264 174.600 -0.005 0.000 1.150 302 S CA -0.810 57.385 58.200 -0.007 0.000 1.058 302 S CB 1.989 65.183 63.200 -0.010 0.000 1.032 302 S HN 0.520 nan 8.310 nan 0.000 0.510 303 E N 1.062 121.260 120.200 -0.003 0.000 2.347 303 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 303 E C 1.305 177.903 176.600 -0.002 0.000 1.008 303 E CA 0.615 57.014 56.400 -0.001 0.000 0.852 303 E CB -0.052 29.649 29.700 0.002 0.000 0.783 303 E HN 0.781 nan 8.360 nan 0.000 0.505 304 E N 0.565 120.763 120.200 -0.004 0.000 2.153 304 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 304 E C 1.358 177.955 176.600 -0.005 0.000 0.988 304 E CA 0.773 57.170 56.400 -0.005 0.000 0.811 304 E CB 0.036 29.732 29.700 -0.007 0.000 0.746 304 E HN 0.333 nan 8.360 nan 0.000 0.466 305 I N 0.075 120.641 120.570 -0.006 0.000 3.891 305 I HA 0.162 4.332 4.170 -0.000 0.000 0.331 305 I C 0.767 176.881 176.117 -0.006 0.000 1.406 305 I CA -0.156 61.140 61.300 -0.007 0.000 1.139 305 I CB 0.239 38.234 38.000 -0.008 0.000 1.056 305 I HN 0.062 nan 8.210 nan 0.000 0.399 306 G N 2.137 110.934 108.800 -0.005 0.000 2.323 306 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.292 306 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.292 306 G C 0.056 174.953 174.900 -0.005 0.000 1.040 306 G CA 0.131 45.229 45.100 -0.004 0.000 0.942 306 G HN 0.373 nan 8.290 nan 0.000 0.506 307 M N -0.250 119.347 119.600 -0.005 0.000 2.363 307 M HA 0.506 4.986 4.480 -0.000 0.000 0.343 307 M C 0.268 176.565 176.300 -0.005 0.000 1.165 307 M CA -0.304 54.992 55.300 -0.006 0.000 1.046 307 M CB 1.578 34.174 32.600 -0.008 0.000 1.648 307 M HN 0.235 nan 8.290 nan 0.000 0.452 308 E N 1.825 122.021 120.200 -0.006 0.000 2.227 308 E HA 0.323 4.673 4.350 -0.000 0.000 0.268 308 E C 0.189 176.785 176.600 -0.008 0.000 0.907 308 E CA -0.528 55.869 56.400 -0.005 0.000 0.786 308 E CB 2.278 31.975 29.700 -0.005 0.000 1.191 308 E HN 0.664 nan 8.360 nan 0.000 0.411 309 L N 1.539 122.759 121.223 -0.006 0.000 2.201 309 L HA -0.154 4.185 4.340 -0.000 0.000 0.212 309 L C 1.612 178.475 176.870 -0.011 0.000 1.105 309 L CA 1.018 55.854 54.840 -0.008 0.000 0.775 309 L CB -0.224 41.834 42.059 -0.002 0.000 0.913 309 L HN 0.531 nan 8.230 nan 0.000 0.440 310 E N 0.660 120.854 120.200 -0.009 0.000 2.106 310 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 310 E C 0.913 177.504 176.600 -0.016 0.000 0.984 310 E CA 1.033 57.427 56.400 -0.011 0.000 0.806 310 E CB -0.031 29.664 29.700 -0.007 0.000 0.750 310 E HN 0.304 nan 8.360 nan 0.000 0.458 311 K N 0.541 120.932 120.400 -0.015 0.000 3.165 311 K HA 0.438 4.758 4.320 -0.000 0.000 0.259 311 K C -0.807 175.779 176.600 -0.022 0.000 1.282 311 K CA -0.212 56.064 56.287 -0.017 0.000 1.259 311 K CB 0.781 33.273 32.500 -0.014 0.000 1.546 311 K HN -0.027 nan 8.250 nan 0.000 0.384 312 A N 1.180 123.982 122.820 -0.029 0.000 2.353 312 A HA 0.420 4.740 4.320 -0.000 0.000 0.299 312 A C 0.021 177.571 177.584 -0.057 0.000 1.089 312 A CA -0.686 51.328 52.037 -0.038 0.000 0.736 312 A CB 0.832 19.812 19.000 -0.034 0.000 1.195 312 A HN 0.296 nan 8.150 nan 0.000 0.447 313 T N -0.052 114.463 114.554 -0.065 0.000 2.936 313 T HA 0.525 4.875 4.350 -0.000 0.000 0.282 313 T C 1.072 175.689 174.700 -0.139 0.000 1.003 313 T CA -0.765 61.281 62.100 -0.091 0.000 1.005 313 T CB 0.577 69.404 68.868 -0.069 0.000 1.097 313 T HN 0.390 nan 8.240 nan 0.000 0.532 314 L N 0.002 121.101 121.223 -0.207 0.000 2.447 314 L HA -0.054 4.286 4.340 -0.000 0.000 0.225 314 L C 2.687 179.432 176.870 -0.209 0.000 1.148 314 L CA 1.343 55.967 54.840 -0.360 0.000 0.808 314 L CB -0.589 41.193 42.059 -0.462 0.000 0.928 314 L HN 0.862 nan 8.230 nan 0.000 0.448 315 E N 0.098 120.235 120.200 -0.106 0.000 2.230 315 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 315 E C 1.356 177.941 176.600 -0.026 0.000 0.987 315 E CA 0.627 57.002 56.400 -0.042 0.000 0.841 315 E CB 0.287 29.970 29.700 -0.028 0.000 0.783 315 E HN 0.474 nan 8.360 nan 0.000 0.481 316 D N 0.332 120.707 120.400 -0.042 0.000 2.162 316 D HA -0.063 4.577 4.640 -0.000 0.000 0.203 316 D C 0.366 176.661 176.300 -0.009 0.000 0.967 316 D CA 0.322 54.307 54.000 -0.024 0.000 0.840 316 D CB 0.091 40.872 40.800 -0.031 0.000 0.972 316 D HN 0.130 nan 8.370 nan 0.000 0.482 317 L N 1.115 122.324 121.223 -0.024 0.000 2.483 317 L HA 0.186 4.526 4.340 -0.000 0.000 0.276 317 L C 1.465 178.398 176.870 0.105 0.000 1.213 317 L CA 0.382 55.240 54.840 0.030 0.000 0.843 317 L CB 0.334 42.385 42.059 -0.013 0.000 1.107 317 L HN -0.140 nan 8.230 nan 0.000 0.487 318 G N 1.318 110.187 108.800 0.115 0.000 2.543 318 G HA2 0.557 4.516 3.960 -0.000 0.000 0.290 318 G HA3 0.557 4.516 3.960 -0.000 0.000 0.290 318 G C -1.034 173.958 174.900 0.154 0.000 1.310 318 G CA -0.237 44.928 45.100 0.107 0.000 1.025 318 G HN 0.585 nan 8.290 nan 0.000 0.502 319 Q N -1.980 117.872 119.800 0.088 0.000 2.479 319 Q HA 0.552 4.891 4.340 -0.000 0.000 0.276 319 Q C -1.517 174.482 176.000 -0.001 0.000 0.989 319 Q CA -0.749 55.075 55.803 0.033 0.000 0.864 319 Q CB 2.065 30.813 28.738 0.016 0.000 1.444 319 Q HN 1.072 nan 8.270 nan 0.000 0.388 320 A N 1.899 124.699 122.820 -0.033 0.000 2.606 320 A HA 0.440 4.760 4.320 -0.000 0.000 0.293 320 A C -0.567 176.988 177.584 -0.047 0.000 1.082 320 A CA -0.605 51.418 52.037 -0.024 0.000 0.685 320 A CB 1.623 20.623 19.000 0.000 0.000 1.284 320 A HN 0.806 nan 8.150 nan 0.000 0.408 321 K N -0.423 119.957 120.400 -0.035 0.000 2.211 321 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 321 K C 0.725 177.304 176.600 -0.036 0.000 1.050 321 K CA 1.436 57.700 56.287 -0.040 0.000 0.945 321 K CB 0.114 32.599 32.500 -0.026 0.000 0.732 321 K HN 0.555 nan 8.250 nan 0.000 0.451 322 R N -0.163 120.323 120.500 -0.023 0.000 2.644 322 R HA 0.171 4.511 4.340 -0.000 0.000 0.257 322 R C -2.057 174.238 176.300 -0.007 0.000 1.082 322 R CA -0.569 55.521 56.100 -0.017 0.000 0.927 322 R CB 1.676 31.968 30.300 -0.013 0.000 1.258 322 R HN -0.059 nan 8.270 nan 0.000 0.459 323 V N 0.541 120.451 119.914 -0.006 0.000 2.760 323 V HA 0.825 4.945 4.120 -0.000 0.000 0.309 323 V C -1.185 174.905 176.094 -0.007 0.000 1.077 323 V CA -0.701 61.597 62.300 -0.003 0.000 0.910 323 V CB 1.991 33.818 31.823 0.007 0.000 1.008 323 V HN 0.433 nan 8.190 nan 0.000 0.424 324 V N 5.788 125.691 119.914 -0.018 0.000 2.656 324 V HA 0.666 4.785 4.120 -0.000 0.000 0.307 324 V C -0.232 175.837 176.094 -0.041 0.000 1.051 324 V CA -0.442 61.849 62.300 -0.014 0.000 0.893 324 V CB 1.756 33.574 31.823 -0.009 0.000 0.999 324 V HN 1.058 nan 8.190 nan 0.000 0.426 325 I N 1.045 121.610 120.570 -0.009 0.000 2.499 325 I HA 0.682 4.852 4.170 -0.000 0.000 0.288 325 I C -0.444 175.688 176.117 0.026 0.000 1.048 325 I CA -0.555 60.723 61.300 -0.037 0.000 1.062 325 I CB 2.064 40.049 38.000 -0.026 0.000 1.238 325 I HN 0.433 nan 8.210 nan 0.000 0.426 326 N N 4.699 123.343 118.700 -0.093 0.000 2.620 326 N HA 0.214 4.954 4.740 -0.000 0.000 0.307 326 N C 0.666 175.881 175.510 -0.491 0.000 1.316 326 N CA -0.646 52.343 53.050 -0.102 0.000 0.931 326 N CB 0.624 39.056 38.487 -0.092 0.000 1.116 326 N HN 0.684 nan 8.380 nan 0.000 0.573 327 K N 0.143 120.280 120.400 -0.438 0.000 2.211 327 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 327 K C -0.597 175.672 176.600 -0.550 0.000 1.050 327 K CA 1.622 57.493 56.287 -0.692 0.000 0.945 327 K CB -0.016 32.365 32.500 -0.197 0.000 0.732 327 K HN 0.605 nan 8.250 nan 0.000 0.451 328 D N -1.139 119.054 120.400 -0.344 0.000 3.118 328 D HA 0.119 4.759 4.640 -0.000 0.000 0.352 328 D C -1.123 175.057 176.300 -0.200 0.000 1.498 328 D CA -0.503 53.355 54.000 -0.236 0.000 0.759 328 D CB 0.754 41.467 40.800 -0.144 0.000 1.251 328 D HN -0.160 nan 8.370 nan 0.000 0.504 329 T N -0.191 114.213 114.554 -0.249 0.000 3.435 329 T HA 0.465 4.815 4.350 -0.000 0.000 0.344 329 T C -1.146 173.354 174.700 -0.332 0.000 1.211 329 T CA -0.448 61.496 62.100 -0.260 0.000 1.104 329 T CB 1.956 70.722 68.868 -0.171 0.000 1.196 329 T HN -0.044 nan 8.240 nan 0.000 0.471 330 T N 2.433 116.648 114.554 -0.566 0.000 2.792 330 T HA 0.657 5.007 4.350 -0.000 0.000 0.280 330 T C -0.373 174.029 174.700 -0.497 0.000 0.990 330 T CA -0.486 61.246 62.100 -0.613 0.000 0.960 330 T CB 1.579 69.837 68.868 -1.016 0.000 0.939 330 T HN 0.568 nan 8.240 nan 0.000 0.439 331 T N 4.021 118.444 114.554 -0.219 0.000 2.847 331 T HA 0.577 4.927 4.350 -0.000 0.000 0.291 331 T C -0.517 174.173 174.700 -0.017 0.000 0.998 331 T CA -0.647 61.399 62.100 -0.090 0.000 0.967 331 T CB 0.014 68.844 68.868 -0.063 0.000 0.954 331 T HN 0.477 nan 8.240 nan 0.000 0.441 332 I N 6.683 127.282 120.570 0.048 0.000 2.297 332 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 332 I C -0.010 176.129 176.117 0.036 0.000 1.033 332 I CA -0.627 60.708 61.300 0.059 0.000 1.253 332 I CB 0.988 39.053 38.000 0.108 0.000 1.396 332 I HN 0.532 nan 8.210 nan 0.000 0.476 333 I N 5.886 126.467 120.570 0.018 0.000 2.321 333 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 333 I C -0.229 175.892 176.117 0.006 0.000 0.998 333 I CA -0.386 60.920 61.300 0.010 0.000 1.227 333 I CB 0.947 38.948 38.000 0.002 0.000 1.368 333 I HN 0.615 nan 8.210 nan 0.000 0.466 334 D N 4.860 125.264 120.400 0.007 0.000 3.908 334 D HA -0.112 4.528 4.640 -0.000 0.000 0.237 334 D C 0.055 176.357 176.300 0.003 0.000 1.091 334 D CA 0.950 54.952 54.000 0.003 0.000 1.147 334 D CB -0.074 40.724 40.800 -0.003 0.000 0.857 334 D HN 0.818 nan 8.370 nan 0.000 0.410 335 G N 1.261 110.067 108.800 0.009 0.000 2.476 335 G HA2 0.441 4.401 3.960 -0.000 0.000 0.286 335 G HA3 0.441 4.401 3.960 -0.000 0.000 0.286 335 G C 1.327 176.231 174.900 0.007 0.000 1.177 335 G CA -0.393 44.713 45.100 0.010 0.000 0.870 335 G HN 0.401 nan 8.290 nan 0.000 0.528 336 V N 1.727 121.647 119.914 0.009 0.000 2.626 336 V HA 0.002 4.122 4.120 -0.000 0.000 0.252 336 V C 2.264 178.365 176.094 0.013 0.000 1.067 336 V CA 1.157 63.463 62.300 0.011 0.000 1.081 336 V CB -1.251 30.583 31.823 0.019 0.000 0.686 336 V HN 0.882 nan 8.190 nan 0.000 0.468 337 G N 1.036 109.844 108.800 0.014 0.000 2.341 337 G HA2 -0.079 3.880 3.960 -0.000 0.000 0.231 337 G HA3 -0.079 3.880 3.960 -0.000 0.000 0.231 337 G C -0.117 174.787 174.900 0.007 0.000 1.206 337 G CA -0.077 45.029 45.100 0.010 0.000 0.865 337 G HN 0.580 nan 8.290 nan 0.000 0.515 338 E N 1.696 121.900 120.200 0.006 0.000 2.259 338 E HA 0.088 4.438 4.350 -0.000 0.000 0.281 338 E C 0.909 177.510 176.600 0.002 0.000 1.027 338 E CA -0.308 56.094 56.400 0.004 0.000 0.838 338 E CB 1.502 31.205 29.700 0.005 0.000 1.066 338 E HN 0.689 nan 8.360 nan 0.000 0.401 339 E N 1.931 122.132 120.200 0.002 0.000 2.284 339 E HA -0.306 4.044 4.350 -0.000 0.000 0.200 339 E C 1.688 178.288 176.600 -0.001 0.000 1.008 339 E CA 1.151 57.551 56.400 0.000 0.000 0.829 339 E CB -0.095 29.605 29.700 0.000 0.000 0.744 339 E HN 0.592 nan 8.360 nan 0.000 0.491 340 A N 1.700 124.520 122.820 -0.000 0.000 1.841 340 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 340 A C 2.454 180.036 177.584 -0.003 0.000 1.195 340 A CA 1.711 53.747 52.037 -0.001 0.000 0.611 340 A CB -0.799 18.201 19.000 -0.001 0.000 0.835 340 A HN 0.306 nan 8.150 nan 0.000 0.443 341 A N -0.065 122.753 122.820 -0.002 0.000 1.858 341 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 341 A C 2.163 179.744 177.584 -0.005 0.000 1.190 341 A CA 1.629 53.664 52.037 -0.004 0.000 0.617 341 A CB -0.748 18.250 19.000 -0.002 0.000 0.827 341 A HN 0.508 nan 8.150 nan 0.000 0.443 342 I N -0.916 119.652 120.570 -0.004 0.000 2.076 342 I HA -0.316 3.854 4.170 -0.000 0.000 0.237 342 I C 2.790 178.903 176.117 -0.006 0.000 1.059 342 I CA 2.019 63.316 61.300 -0.005 0.000 1.317 342 I CB -0.466 37.533 38.000 -0.002 0.000 1.037 342 I HN 0.385 nan 8.210 nan 0.000 0.398 343 Q N 1.339 121.136 119.800 -0.005 0.000 2.234 343 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 343 Q C 1.965 177.961 176.000 -0.007 0.000 0.980 343 Q CA 2.004 57.804 55.803 -0.005 0.000 0.869 343 Q CB -0.672 28.064 28.738 -0.004 0.000 0.912 343 Q HN 0.528 nan 8.270 nan 0.000 0.436 344 G N -0.268 108.528 108.800 -0.007 0.000 2.394 344 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 344 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 344 G C 1.548 176.442 174.900 -0.010 0.000 1.165 344 G CA 0.663 45.759 45.100 -0.008 0.000 0.784 344 G HN 0.352 nan 8.290 nan 0.000 0.535 345 R N 0.390 120.883 120.500 -0.012 0.000 2.105 345 R HA -0.026 4.314 4.340 -0.000 0.000 0.239 345 R C 2.505 178.795 176.300 -0.016 0.000 1.135 345 R CA 1.482 57.573 56.100 -0.015 0.000 0.967 345 R CB -0.834 29.456 30.300 -0.017 0.000 0.861 345 R HN 0.221 nan 8.270 nan 0.000 0.442 346 V N 0.686 120.591 119.914 -0.014 0.000 2.343 346 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 346 V C 2.370 178.456 176.094 -0.014 0.000 1.051 346 V CA 1.891 64.183 62.300 -0.014 0.000 1.036 346 V CB -0.988 30.829 31.823 -0.010 0.000 0.654 346 V HN 0.543 nan 8.190 nan 0.000 0.451 347 A N -0.624 122.189 122.820 -0.012 0.000 1.902 347 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 347 A C 2.183 179.759 177.584 -0.013 0.000 1.181 347 A CA 1.994 54.024 52.037 -0.011 0.000 0.623 347 A CB -0.472 18.522 19.000 -0.009 0.000 0.818 347 A HN 0.638 nan 8.150 nan 0.000 0.443 348 Q N -0.359 119.432 119.800 -0.015 0.000 1.975 348 Q HA -0.168 4.172 4.340 -0.000 0.000 0.205 348 Q C 2.058 178.046 176.000 -0.019 0.000 0.990 348 Q CA 1.836 57.629 55.803 -0.017 0.000 0.845 348 Q CB -0.449 28.279 28.738 -0.018 0.000 0.913 348 Q HN 0.734 nan 8.270 nan 0.000 0.420 349 I N 0.362 120.918 120.570 -0.022 0.000 2.423 349 I HA -0.268 3.901 4.170 -0.000 0.000 0.254 349 I C 2.521 178.624 176.117 -0.024 0.000 1.151 349 I CA 0.957 62.241 61.300 -0.027 0.000 1.421 349 I CB -0.286 37.696 38.000 -0.030 0.000 1.079 349 I HN 0.154 nan 8.210 nan 0.000 0.431 350 R N 0.823 121.311 120.500 -0.019 0.000 2.115 350 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 350 R C 2.259 178.549 176.300 -0.016 0.000 1.111 350 R CA 1.245 57.335 56.100 -0.017 0.000 0.976 350 R CB 0.011 30.303 30.300 -0.013 0.000 0.870 350 R HN 0.422 nan 8.270 nan 0.000 0.445 351 Q N -0.677 119.114 119.800 -0.015 0.000 2.212 351 Q HA -0.091 4.248 4.340 -0.000 0.000 0.199 351 Q C 1.967 177.957 176.000 -0.016 0.000 0.950 351 Q CA 0.721 56.516 55.803 -0.014 0.000 0.863 351 Q CB 0.236 28.966 28.738 -0.012 0.000 0.944 351 Q HN 0.384 nan 8.270 nan 0.000 0.465 352 Q N 0.621 120.409 119.800 -0.020 0.000 2.112 352 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 352 Q C 2.090 178.076 176.000 -0.023 0.000 0.987 352 Q CA 1.279 57.068 55.803 -0.023 0.000 0.858 352 Q CB -0.322 28.398 28.738 -0.030 0.000 0.905 352 Q HN 0.492 nan 8.270 nan 0.000 0.420 353 I N 1.062 121.618 120.570 -0.023 0.000 2.454 353 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 353 I C 2.143 178.252 176.117 -0.015 0.000 1.156 353 I CA 0.854 62.141 61.300 -0.022 0.000 1.433 353 I CB -0.272 37.715 38.000 -0.021 0.000 1.082 353 I HN 0.138 nan 8.210 nan 0.000 0.432 354 E N 1.251 121.443 120.200 -0.013 0.000 2.046 354 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 354 E C 1.733 178.329 176.600 -0.008 0.000 0.982 354 E CA 1.168 57.563 56.400 -0.009 0.000 0.800 354 E CB -0.312 29.383 29.700 -0.008 0.000 0.756 354 E HN 0.601 nan 8.360 nan 0.000 0.449 355 E N 1.027 121.222 120.200 -0.009 0.000 2.511 355 E HA 0.149 4.499 4.350 -0.000 0.000 0.196 355 E C 0.261 176.857 176.600 -0.006 0.000 1.066 355 E CA -0.052 56.344 56.400 -0.007 0.000 0.871 355 E CB 0.157 29.852 29.700 -0.009 0.000 0.863 355 E HN 0.068 nan 8.360 nan 0.000 0.520 356 A N 1.692 124.507 122.820 -0.008 0.000 2.522 356 A HA 0.063 4.383 4.320 -0.000 0.000 0.256 356 A C 1.235 178.820 177.584 0.002 0.000 1.086 356 A CA 0.197 52.231 52.037 -0.005 0.000 0.763 356 A CB -0.052 18.942 19.000 -0.010 0.000 1.024 356 A HN 0.232 nan 8.150 nan 0.000 0.502 357 T N -0.670 113.889 114.554 0.008 0.000 3.069 357 T HA 0.366 4.716 4.350 -0.000 0.000 0.252 357 T C 0.477 175.191 174.700 0.022 0.000 1.053 357 T CA 0.453 62.560 62.100 0.012 0.000 0.964 357 T CB -0.104 68.771 68.868 0.011 0.000 1.005 357 T HN 0.794 nan 8.240 nan 0.000 0.532 358 S N -0.148 115.570 115.700 0.030 0.000 2.548 358 S HA 0.357 4.827 4.470 -0.000 0.000 0.276 358 S C 0.053 174.688 174.600 0.059 0.000 1.129 358 S CA -0.639 57.593 58.200 0.053 0.000 0.931 358 S CB 1.575 64.823 63.200 0.080 0.000 1.068 358 S HN 0.097 nan 8.310 nan 0.000 0.480 359 D N 2.280 122.721 120.400 0.069 0.000 2.123 359 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 359 D C 1.311 177.665 176.300 0.090 0.000 0.992 359 D CA 1.529 55.568 54.000 0.065 0.000 0.833 359 D CB -0.224 40.617 40.800 0.067 0.000 0.954 359 D HN 0.720 nan 8.370 nan 0.000 0.455 360 Y N 2.168 122.469 120.300 0.003 0.000 2.097 360 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 360 Y C 1.625 177.524 175.900 -0.002 0.000 1.152 360 Y CA 1.950 60.052 58.100 0.004 0.000 1.136 360 Y CB -0.448 38.016 38.460 0.007 0.000 0.975 360 Y HN -0.115 nan 8.280 nan 0.000 0.498 361 D N -0.724 119.658 120.400 -0.031 0.000 2.178 361 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 361 D C 2.249 178.477 176.300 -0.121 0.000 0.980 361 D CA 1.342 55.271 54.000 -0.119 0.000 0.842 361 D CB -0.242 40.548 40.800 -0.016 0.000 0.948 361 D HN 0.292 nan 8.370 nan 0.000 0.472 362 R N 0.584 121.044 120.500 -0.066 0.000 2.066 362 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 362 R C 1.770 178.025 176.300 -0.075 0.000 1.131 362 R CA 1.070 57.139 56.100 -0.052 0.000 0.955 362 R CB 0.124 30.413 30.300 -0.018 0.000 0.851 362 R HN 0.076 nan 8.270 nan 0.000 0.432 363 E N 0.946 121.093 120.200 -0.088 0.000 2.038 363 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 363 E C 1.892 178.411 176.600 -0.134 0.000 1.000 363 E CA 1.101 57.447 56.400 -0.090 0.000 0.803 363 E CB -0.195 29.462 29.700 -0.072 0.000 0.750 363 E HN 0.207 nan 8.360 nan 0.000 0.448 364 K N 0.775 121.028 120.400 -0.245 0.000 2.113 364 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 364 K C 2.412 178.925 176.600 -0.144 0.000 1.047 364 K CA 0.720 56.863 56.287 -0.240 0.000 0.928 364 K CB -0.564 31.706 32.500 -0.383 0.000 0.716 364 K HN 0.206 nan 8.250 nan 0.000 0.446 365 L N 0.864 122.013 121.223 -0.124 0.000 2.072 365 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 365 L C 2.529 179.362 176.870 -0.060 0.000 1.079 365 L CA 1.108 55.898 54.840 -0.082 0.000 0.752 365 L CB -0.405 41.612 42.059 -0.069 0.000 0.906 365 L HN 0.222 nan 8.230 nan 0.000 0.436 366 Q N -0.126 119.640 119.800 -0.056 0.000 2.226 366 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 366 Q C 1.974 177.954 176.000 -0.033 0.000 0.975 366 Q CA 1.290 57.071 55.803 -0.038 0.000 0.866 366 Q CB -0.083 28.636 28.738 -0.032 0.000 0.915 366 Q HN 0.563 nan 8.270 nan 0.000 0.440 367 E N 0.526 120.701 120.200 -0.043 0.000 2.072 367 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 367 E C 2.073 178.658 176.600 -0.024 0.000 0.985 367 E CA 0.600 56.982 56.400 -0.030 0.000 0.801 367 E CB 0.062 29.741 29.700 -0.036 0.000 0.750 367 E HN 0.266 nan 8.360 nan 0.000 0.452 368 R N 0.523 121.001 120.500 -0.036 0.000 2.066 368 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 368 R C 2.740 179.025 176.300 -0.024 0.000 1.131 368 R CA 1.587 57.668 56.100 -0.032 0.000 0.955 368 R CB -0.695 29.577 30.300 -0.046 0.000 0.851 368 R HN 0.200 nan 8.270 nan 0.000 0.432 369 V N -1.085 118.814 119.914 -0.025 0.000 2.332 369 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 369 V C 2.365 178.452 176.094 -0.012 0.000 1.055 369 V CA 1.861 64.150 62.300 -0.019 0.000 1.038 369 V CB -1.133 30.678 31.823 -0.019 0.000 0.651 369 V HN 0.259 nan 8.190 nan 0.000 0.450 370 A N 0.332 123.145 122.820 -0.011 0.000 1.933 370 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 370 A C 2.368 179.953 177.584 0.001 0.000 1.175 370 A CA 2.235 54.269 52.037 -0.005 0.000 0.628 370 A CB -0.589 18.408 19.000 -0.005 0.000 0.814 370 A HN 0.626 nan 8.150 nan 0.000 0.444 371 K N -1.303 119.099 120.400 0.004 0.000 2.062 371 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 371 K C 1.790 178.397 176.600 0.013 0.000 1.051 371 K CA 1.147 57.443 56.287 0.015 0.000 0.941 371 K CB -0.202 32.312 32.500 0.024 0.000 0.719 371 K HN 0.360 nan 8.250 nan 0.000 0.440 372 L N -0.056 121.169 121.223 0.002 0.000 2.270 372 L HA 0.056 4.396 4.340 -0.000 0.000 0.210 372 L C 1.668 178.538 176.870 -0.000 0.000 1.104 372 L CA 1.224 56.063 54.840 -0.001 0.000 0.804 372 L CB 0.005 42.058 42.059 -0.010 0.000 0.937 372 L HN 0.042 nan 8.230 nan 0.000 0.450 373 A N -1.884 120.935 122.820 -0.001 0.000 2.343 373 A HA 0.402 4.722 4.320 -0.000 0.000 0.223 373 A C 2.026 179.611 177.584 0.000 0.000 1.214 373 A CA 0.464 52.500 52.037 -0.002 0.000 0.900 373 A CB -0.514 18.483 19.000 -0.004 0.000 0.942 373 A HN 0.383 nan 8.150 nan 0.000 0.507 374 G N -0.447 108.354 108.800 0.003 0.000 2.426 374 G HA2 0.395 4.355 3.960 -0.000 0.000 0.214 374 G HA3 0.395 4.355 3.960 -0.000 0.000 0.214 374 G C 1.127 176.030 174.900 0.005 0.000 1.156 374 G CA 0.677 45.779 45.100 0.003 0.000 0.802 374 G HN 1.594 nan 8.290 nan 0.000 0.534 375 G N -1.436 107.368 108.800 0.008 0.000 2.593 375 G HA2 0.010 3.969 3.960 -0.000 0.000 0.237 375 G HA3 0.010 3.969 3.960 -0.000 0.000 0.237 375 G C -0.673 174.233 174.900 0.010 0.000 1.312 375 G CA -0.164 44.941 45.100 0.009 0.000 0.896 375 G HN 1.116 nan 8.290 nan 0.000 0.574 376 V N 0.444 120.362 119.914 0.007 0.000 2.577 376 V HA 0.656 4.776 4.120 -0.000 0.000 0.294 376 V C 0.613 176.709 176.094 0.003 0.000 1.052 376 V CA -0.036 62.267 62.300 0.006 0.000 0.891 376 V CB 1.060 32.887 31.823 0.008 0.000 1.017 376 V HN 2.203 nan 8.190 nan 0.000 0.436 377 A N 4.825 127.645 122.820 0.001 0.000 2.450 377 A HA 0.646 4.966 4.320 -0.000 0.000 0.255 377 A C -0.254 177.330 177.584 0.000 0.000 1.096 377 A CA -0.014 52.023 52.037 0.000 0.000 0.778 377 A CB 0.471 19.470 19.000 -0.001 0.000 1.031 377 A HN 0.795 nan 8.150 nan 0.000 0.494 378 V N 4.811 124.725 119.914 0.000 0.000 2.409 378 V HA 0.328 4.448 4.120 -0.000 0.000 0.291 378 V C -0.114 175.980 176.094 0.001 0.000 1.020 378 V CA -0.200 62.100 62.300 0.000 0.000 0.848 378 V CB 1.355 33.178 31.823 -0.000 0.000 0.990 378 V HN 0.736 nan 8.190 nan 0.000 0.430 379 I N 5.091 125.662 120.570 0.001 0.000 2.321 379 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 379 I C 0.061 176.179 176.117 0.002 0.000 0.998 379 I CA -0.495 60.806 61.300 0.002 0.000 1.227 379 I CB 1.274 39.275 38.000 0.003 0.000 1.368 379 I HN 0.492 nan 8.210 nan 0.000 0.466 380 K N 6.013 126.413 120.400 0.001 0.000 2.316 380 K HA 0.430 4.750 4.320 -0.000 0.000 0.267 380 K C -0.670 175.931 176.600 0.001 0.000 1.025 380 K CA -0.644 55.643 56.287 0.000 0.000 0.896 380 K CB 1.853 34.352 32.500 -0.000 0.000 1.124 380 K HN 0.320 nan 8.250 nan 0.000 0.451 381 V N 2.799 122.714 119.914 0.001 0.000 2.740 381 V HA 0.009 4.128 4.120 -0.000 0.000 0.303 381 V C 1.475 177.569 176.094 0.000 0.000 1.054 381 V CA -0.056 62.244 62.300 0.001 0.000 1.106 381 V CB 0.740 32.564 31.823 0.002 0.000 0.957 381 V HN 0.956 nan 8.190 nan 0.000 0.486 382 G N 2.331 111.131 108.800 0.000 0.000 2.504 382 G HA2 0.426 4.386 3.960 -0.000 0.000 0.291 382 G HA3 0.426 4.386 3.960 -0.000 0.000 0.291 382 G C 0.336 175.236 174.900 -0.000 0.000 1.345 382 G CA 0.523 45.623 45.100 -0.000 0.000 1.090 382 G HN 1.253 nan 8.290 nan 0.000 0.591 383 A N -2.802 120.017 122.820 -0.001 0.000 2.588 383 A HA 0.823 5.143 4.320 -0.000 0.000 0.172 383 A C 0.703 178.286 177.584 -0.001 0.000 1.149 383 A CA 1.082 53.119 52.037 -0.001 0.000 1.987 383 A CB -0.520 18.479 19.000 -0.001 0.000 2.500 383 A HN 2.598 nan 8.150 nan 0.000 0.982 384 A N -0.426 122.393 122.820 -0.001 0.000 2.753 384 A HA 0.518 4.838 4.320 -0.000 0.000 0.285 384 A C 1.038 178.621 177.584 -0.001 0.000 1.405 384 A CA 1.356 53.392 52.037 -0.001 0.000 0.727 384 A CB -2.619 16.380 19.000 -0.001 0.000 1.101 384 A HN 3.455 nan 8.150 nan 0.000 0.412 385 T N -2.674 111.879 114.554 -0.001 0.000 0.546 385 T HA -0.058 4.292 4.350 -0.000 0.000 0.773 385 T C 0.270 174.969 174.700 -0.001 0.000 0.992 385 T CA 1.328 63.427 62.100 -0.001 0.000 4.074 385 T CB -1.131 67.736 68.868 -0.001 0.000 2.301 385 T HN 1.890 nan 8.240 nan 0.000 0.398 386 E N 1.272 121.472 120.200 -0.001 0.000 2.130 386 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 386 E C 2.011 178.610 176.600 -0.001 0.000 0.998 386 E CA 2.192 58.592 56.400 -0.001 0.000 0.806 386 E CB -0.129 29.571 29.700 -0.001 0.000 0.738 386 E HN 0.660 nan 8.360 nan 0.000 0.459 387 V N 1.345 121.258 119.914 -0.001 0.000 2.237 387 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 387 V C 2.168 178.262 176.094 -0.002 0.000 1.046 387 V CA 2.301 64.600 62.300 -0.001 0.000 1.007 387 V CB -0.677 31.145 31.823 -0.002 0.000 0.638 387 V HN 0.297 nan 8.190 nan 0.000 0.445 388 E N -0.307 119.892 120.200 -0.002 0.000 2.118 388 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 388 E C 2.179 178.779 176.600 -0.001 0.000 0.992 388 E CA 1.426 57.825 56.400 -0.002 0.000 0.804 388 E CB -0.262 29.436 29.700 -0.002 0.000 0.741 388 E HN 0.442 nan 8.360 nan 0.000 0.458 389 M N 1.129 120.728 119.600 -0.001 0.000 2.117 389 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 389 M C 1.633 177.933 176.300 -0.000 0.000 1.065 389 M CA 1.522 56.822 55.300 -0.001 0.000 1.114 389 M CB -0.128 32.471 32.600 -0.001 0.000 1.361 389 M HN -0.125 nan 8.290 nan 0.000 0.408 390 K N 0.292 120.691 120.400 -0.001 0.000 2.148 390 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 390 K C 1.858 178.458 176.600 -0.001 0.000 1.050 390 K CA 1.198 57.485 56.287 -0.000 0.000 0.942 390 K CB -0.477 32.023 32.500 -0.001 0.000 0.724 390 K HN 0.594 nan 8.250 nan 0.000 0.446 391 E N 1.410 121.609 120.200 -0.002 0.000 2.016 391 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 391 E C 2.059 178.658 176.600 -0.002 0.000 0.985 391 E CA 0.952 57.351 56.400 -0.002 0.000 0.802 391 E CB 0.077 29.776 29.700 -0.003 0.000 0.762 391 E HN 0.131 nan 8.360 nan 0.000 0.448 392 K N 1.057 121.456 120.400 -0.001 0.000 2.103 392 K HA -0.229 4.090 4.320 -0.000 0.000 0.207 392 K C 2.256 178.857 176.600 0.001 0.000 1.048 392 K CA 1.618 57.905 56.287 -0.000 0.000 0.930 392 K CB -0.078 32.422 32.500 -0.000 0.000 0.716 392 K HN -0.039 nan 8.250 nan 0.000 0.444 393 K N 0.098 120.498 120.400 0.001 0.000 2.063 393 K HA -0.163 4.156 4.320 -0.000 0.000 0.208 393 K C 1.953 178.555 176.600 0.004 0.000 1.048 393 K CA 1.343 57.632 56.287 0.003 0.000 0.928 393 K CB -0.204 32.297 32.500 0.003 0.000 0.713 393 K HN 0.232 nan 8.250 nan 0.000 0.442 394 A N 1.470 124.291 122.820 0.001 0.000 1.877 394 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 394 A C 2.102 179.686 177.584 0.000 0.000 1.186 394 A CA 1.514 53.551 52.037 -0.001 0.000 0.620 394 A CB -0.504 18.494 19.000 -0.005 0.000 0.822 394 A HN 0.337 nan 8.150 nan 0.000 0.443 395 R N -0.702 119.798 120.500 0.000 0.000 2.091 395 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 395 R C 2.045 178.350 176.300 0.008 0.000 1.136 395 R CA 1.522 57.623 56.100 0.002 0.000 0.959 395 R CB -0.631 29.669 30.300 0.000 0.000 0.856 395 R HN 0.406 nan 8.270 nan 0.000 0.437 396 V N 1.313 121.232 119.914 0.009 0.000 2.343 396 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 396 V C 2.029 178.136 176.094 0.022 0.000 1.051 396 V CA 1.815 64.123 62.300 0.013 0.000 1.036 396 V CB -0.456 31.373 31.823 0.010 0.000 0.654 396 V HN 0.359 nan 8.190 nan 0.000 0.451 397 E N -0.101 120.112 120.200 0.022 0.000 2.058 397 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 397 E C 2.027 178.660 176.600 0.055 0.000 0.997 397 E CA 1.585 58.005 56.400 0.034 0.000 0.801 397 E CB -0.178 29.536 29.700 0.023 0.000 0.746 397 E HN 0.623 nan 8.360 nan 0.000 0.450 398 D N 0.258 120.677 120.400 0.031 0.000 2.097 398 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 398 D C 1.957 178.294 176.300 0.063 0.000 0.984 398 D CA 1.223 55.242 54.000 0.031 0.000 0.826 398 D CB -0.245 40.552 40.800 -0.006 0.000 0.973 398 D HN 0.138 nan 8.370 nan 0.000 0.460 399 A N 1.058 123.902 122.820 0.040 0.000 1.940 399 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 399 A C 2.182 179.795 177.584 0.048 0.000 1.176 399 A CA 1.062 53.121 52.037 0.037 0.000 0.631 399 A CB -0.679 18.334 19.000 0.021 0.000 0.814 399 A HN 0.227 nan 8.150 nan 0.000 0.446 400 L N -0.877 120.377 121.223 0.052 0.000 2.017 400 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 400 L C 2.406 179.308 176.870 0.053 0.000 1.073 400 L CA 2.649 57.514 54.840 0.041 0.000 0.745 400 L CB -0.850 41.230 42.059 0.035 0.000 0.894 400 L HN 0.613 nan 8.230 nan 0.000 0.432 401 H N -0.188 118.880 119.070 -0.003 0.000 2.319 401 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 401 H C 1.941 177.268 175.328 -0.001 0.000 1.092 401 H CA 1.877 57.923 56.048 -0.003 0.000 1.302 401 H CB 0.038 29.797 29.762 -0.004 0.000 1.373 401 H HN 0.481 nan 8.280 nan 0.000 0.497 402 A N -0.021 122.913 122.820 0.191 0.000 1.858 402 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 402 A C 2.706 180.317 177.584 0.045 0.000 1.190 402 A CA 2.302 54.412 52.037 0.121 0.000 0.617 402 A CB -1.113 17.937 19.000 0.082 0.000 0.827 402 A HN 0.539 nan 8.150 nan 0.000 0.443 403 T N -0.446 114.125 114.554 0.028 0.000 2.759 403 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 403 T C 2.142 176.834 174.700 -0.013 0.000 1.042 403 T CA 1.405 63.509 62.100 0.007 0.000 1.140 403 T CB -0.274 68.598 68.868 0.007 0.000 0.864 403 T HN 0.327 nan 8.240 nan 0.000 0.455 404 R N 1.573 122.050 120.500 -0.038 0.000 2.080 404 R HA 0.036 4.376 4.340 -0.000 0.000 0.236 404 R C 2.612 178.873 176.300 -0.066 0.000 1.137 404 R CA 1.983 58.042 56.100 -0.069 0.000 0.943 404 R CB -1.190 29.031 30.300 -0.132 0.000 0.846 404 R HN 0.422 nan 8.270 nan 0.000 0.431 405 A N 0.515 123.291 122.820 -0.073 0.000 1.883 405 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 405 A C 2.397 179.975 177.584 -0.011 0.000 1.186 405 A CA 2.186 54.200 52.037 -0.039 0.000 0.624 405 A CB -0.862 18.136 19.000 -0.003 0.000 0.822 405 A HN 0.460 nan 8.150 nan 0.000 0.444 406 A N -0.716 122.103 122.820 -0.001 0.000 1.940 406 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 406 A C 2.215 179.798 177.584 -0.001 0.000 1.176 406 A CA 1.802 53.842 52.037 0.004 0.000 0.631 406 A CB -0.863 18.142 19.000 0.008 0.000 0.814 406 A HN 0.404 nan 8.150 nan 0.000 0.446 407 V N -0.026 119.883 119.914 -0.008 0.000 2.427 407 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 407 V C 2.394 178.483 176.094 -0.008 0.000 1.051 407 V CA 2.223 64.518 62.300 -0.008 0.000 1.048 407 V CB -0.734 31.081 31.823 -0.013 0.000 0.666 407 V HN 0.644 nan 8.190 nan 0.000 0.456 408 E N -0.080 120.113 120.200 -0.012 0.000 2.051 408 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 408 E C 1.565 178.163 176.600 -0.002 0.000 0.991 408 E CA 1.462 57.857 56.400 -0.009 0.000 0.799 408 E CB 0.001 29.693 29.700 -0.014 0.000 0.748 408 E HN 0.664 nan 8.360 nan 0.000 0.449 409 E N -0.835 119.365 120.200 0.001 0.000 2.759 409 E HA 0.236 4.586 4.350 -0.000 0.000 0.220 409 E C 0.199 176.803 176.600 0.006 0.000 0.974 409 E CA 0.092 56.495 56.400 0.004 0.000 1.148 409 E CB 1.623 31.326 29.700 0.006 0.000 1.059 409 E HN 0.244 nan 8.360 nan 0.000 0.493 410 G N 1.171 109.974 108.800 0.006 0.000 2.615 410 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 410 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 410 G C -0.341 174.565 174.900 0.010 0.000 1.339 410 G CA -0.464 44.641 45.100 0.008 0.000 0.884 410 G HN 0.536 nan 8.290 nan 0.000 0.559 411 V N -2.925 116.996 119.914 0.011 0.000 3.078 411 V HA 0.984 5.104 4.120 -0.000 0.000 0.311 411 V C 0.462 176.565 176.094 0.015 0.000 1.138 411 V CA 0.102 62.410 62.300 0.014 0.000 1.007 411 V CB 1.272 33.103 31.823 0.013 0.000 1.045 411 V HN 2.488 nan 8.190 nan 0.000 0.432 412 V N -0.970 118.954 119.914 0.016 0.000 3.160 412 V HA 1.024 5.144 4.120 -0.000 0.000 0.310 412 V C 0.501 176.605 176.094 0.017 0.000 1.181 412 V CA -0.690 61.620 62.300 0.018 0.000 1.047 412 V CB 1.285 33.119 31.823 0.019 0.000 1.068 412 V HN 2.193 nan 8.190 nan 0.000 0.441 413 A N 0.836 123.668 122.820 0.020 0.000 2.540 413 A HA 0.610 4.930 4.320 -0.000 0.000 0.239 413 A C 0.878 178.471 177.584 0.014 0.000 1.061 413 A CA 0.734 52.782 52.037 0.018 0.000 0.758 413 A CB -0.549 18.467 19.000 0.026 0.000 0.991 413 A HN 1.990 nan 8.150 nan 0.000 0.502 414 G N 0.378 109.181 108.800 0.005 0.000 2.509 414 G HA2 0.529 4.489 3.960 -0.000 0.000 0.269 414 G HA3 0.529 4.489 3.960 -0.000 0.000 0.269 414 G C 1.135 176.036 174.900 0.001 0.000 1.416 414 G CA -0.080 45.022 45.100 0.003 0.000 1.052 414 G HN 2.257 nan 8.290 nan 0.000 0.542 415 G N -2.042 106.757 108.800 -0.002 0.000 2.203 415 G HA2 0.198 4.158 3.960 -0.000 0.000 0.263 415 G HA3 0.198 4.158 3.960 -0.000 0.000 0.263 415 G C 1.534 176.444 174.900 0.017 0.000 1.012 415 G CA 1.242 46.344 45.100 0.004 0.000 0.749 415 G HN 2.477 nan 8.290 nan 0.000 0.512 416 G N -2.309 106.500 108.800 0.016 0.000 2.189 416 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.267 416 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.267 416 G C 1.895 176.810 174.900 0.024 0.000 0.975 416 G CA 1.950 47.061 45.100 0.020 0.000 0.644 416 G HN 2.234 nan 8.290 nan 0.000 0.537 417 V N -1.274 118.656 119.914 0.026 0.000 2.809 417 V HA 0.381 4.501 4.120 -0.000 0.000 0.256 417 V C 2.715 178.831 176.094 0.037 0.000 1.080 417 V CA 2.030 64.351 62.300 0.035 0.000 1.102 417 V CB -0.471 31.375 31.823 0.038 0.000 0.705 417 V HN 1.385 nan 8.190 nan 0.000 0.475 418 A N 0.790 123.628 122.820 0.030 0.000 1.877 418 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 418 A C 2.217 179.816 177.584 0.026 0.000 1.186 418 A CA 2.249 54.303 52.037 0.028 0.000 0.620 418 A CB -0.725 18.289 19.000 0.023 0.000 0.822 418 A HN 0.596 nan 8.150 nan 0.000 0.443 419 L N -0.808 120.429 121.223 0.024 0.000 2.141 419 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 419 L C 2.454 179.338 176.870 0.024 0.000 1.094 419 L CA 0.888 55.740 54.840 0.021 0.000 0.763 419 L CB -0.368 41.702 42.059 0.019 0.000 0.908 419 L HN 0.389 nan 8.230 nan 0.000 0.437 420 I N -0.812 119.776 120.570 0.029 0.000 2.315 420 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 420 I C 2.687 178.826 176.117 0.036 0.000 1.117 420 I CA 0.767 62.087 61.300 0.033 0.000 1.404 420 I CB -0.143 37.881 38.000 0.041 0.000 1.071 420 I HN 0.245 nan 8.210 nan 0.000 0.419 421 R N 0.165 120.689 120.500 0.040 0.000 2.075 421 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 421 R C 2.228 178.545 176.300 0.029 0.000 1.126 421 R CA 1.030 57.154 56.100 0.040 0.000 0.963 421 R CB -0.971 29.355 30.300 0.043 0.000 0.858 421 R HN 0.244 nan 8.270 nan 0.000 0.435 422 V N 1.409 121.338 119.914 0.025 0.000 2.343 422 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 422 V C 2.554 178.658 176.094 0.017 0.000 1.051 422 V CA 1.812 64.123 62.300 0.018 0.000 1.036 422 V CB -0.889 30.944 31.823 0.015 0.000 0.654 422 V HN 0.307 nan 8.190 nan 0.000 0.451 423 A N 0.910 123.741 122.820 0.018 0.000 1.908 423 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 423 A C 2.552 180.145 177.584 0.016 0.000 1.181 423 A CA 2.543 54.590 52.037 0.016 0.000 0.627 423 A CB -0.864 18.146 19.000 0.017 0.000 0.818 423 A HN 0.706 nan 8.150 nan 0.000 0.445 424 S N -0.140 115.572 115.700 0.020 0.000 2.399 424 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 424 S C 1.687 176.297 174.600 0.015 0.000 1.022 424 S CA 1.406 59.617 58.200 0.019 0.000 0.983 424 S CB -0.364 62.850 63.200 0.024 0.000 0.803 424 S HN 0.613 nan 8.310 nan 0.000 0.480 425 K N 0.793 121.202 120.400 0.015 0.000 2.439 425 K HA 0.208 4.528 4.320 -0.000 0.000 0.197 425 K C 0.998 177.603 176.600 0.009 0.000 1.041 425 K CA 0.572 56.866 56.287 0.012 0.000 0.970 425 K CB -0.221 32.287 32.500 0.013 0.000 0.773 425 K HN 0.453 nan 8.250 nan 0.000 0.479 426 L N -0.176 121.053 121.223 0.009 0.000 2.818 426 L HA 0.222 4.562 4.340 -0.000 0.000 0.243 426 L C 1.812 178.685 176.870 0.006 0.000 1.185 426 L CA -0.218 54.626 54.840 0.007 0.000 0.988 426 L CB 0.017 42.079 42.059 0.006 0.000 1.292 426 L HN 0.021 nan 8.230 nan 0.000 0.519 427 A N 0.252 123.076 122.820 0.007 0.000 2.032 427 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 427 A C 1.582 179.169 177.584 0.005 0.000 1.165 427 A CA 1.753 53.794 52.037 0.006 0.000 0.645 427 A CB -0.202 18.802 19.000 0.007 0.000 0.807 427 A HN 0.369 nan 8.150 nan 0.000 0.453 428 D N -1.132 119.271 120.400 0.004 0.000 2.349 428 D HA 0.161 4.801 4.640 -0.000 0.000 0.214 428 D C 0.166 176.467 176.300 0.003 0.000 1.063 428 D CA -0.253 53.749 54.000 0.003 0.000 0.847 428 D CB -0.037 40.765 40.800 0.003 0.000 0.933 428 D HN 0.334 nan 8.370 nan 0.000 0.513 429 L N 1.869 123.094 121.223 0.003 0.000 2.490 429 L HA 0.099 4.439 4.340 -0.000 0.000 0.274 429 L C 0.131 177.002 176.870 0.002 0.000 1.201 429 L CA 0.584 55.426 54.840 0.002 0.000 0.869 429 L CB 0.149 42.210 42.059 0.002 0.000 1.123 429 L HN -0.216 nan 8.230 nan 0.000 0.484 430 R N 3.039 123.540 120.500 0.001 0.000 2.836 430 R HA 0.735 5.075 4.340 -0.000 0.000 0.269 430 R C -0.275 176.025 176.300 0.001 0.000 1.010 430 R CA -0.364 55.737 56.100 0.001 0.000 0.930 430 R CB 1.517 31.817 30.300 0.001 0.000 1.218 430 R HN 0.816 nan 8.270 nan 0.000 0.473 431 G N -0.439 108.361 108.800 0.001 0.000 3.107 431 G HA2 0.236 4.196 3.960 -0.000 0.000 0.232 431 G HA3 0.236 4.196 3.960 -0.000 0.000 0.232 431 G C 0.024 174.925 174.900 0.001 0.000 1.339 431 G CA -0.313 44.787 45.100 0.001 0.000 1.033 431 G HN 0.405 nan 8.290 nan 0.000 0.567 432 Q N -0.571 119.229 119.800 0.001 0.000 2.369 432 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 432 Q C 0.142 176.143 176.000 0.001 0.000 0.963 432 Q CA 1.091 56.895 55.803 0.001 0.000 0.894 432 Q CB -0.026 28.712 28.738 0.001 0.000 0.965 432 Q HN 0.610 nan 8.270 nan 0.000 0.475 433 N N -3.211 115.489 118.700 0.001 0.000 3.106 433 N HA 0.345 5.085 4.740 -0.000 0.000 0.253 433 N C -0.232 175.279 175.510 0.002 0.000 1.506 433 N CA -0.065 52.986 53.050 0.001 0.000 0.876 433 N CB 0.152 38.640 38.487 0.001 0.000 1.452 433 N HN -0.152 nan 8.380 nan 0.000 0.542 434 A N -0.323 122.497 122.820 0.002 0.000 1.908 434 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 434 A C 1.227 178.812 177.584 0.002 0.000 1.181 434 A CA 2.008 54.046 52.037 0.002 0.000 0.627 434 A CB -1.001 18.000 19.000 0.001 0.000 0.818 434 A HN 0.727 nan 8.150 nan 0.000 0.445 435 D N -0.518 119.884 120.400 0.002 0.000 2.144 435 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 435 D C 2.163 178.465 176.300 0.003 0.000 0.984 435 D CA 1.303 55.305 54.000 0.003 0.000 0.834 435 D CB -0.360 40.442 40.800 0.003 0.000 0.955 435 D HN 0.619 nan 8.370 nan 0.000 0.465 436 Q N 0.007 119.809 119.800 0.003 0.000 2.119 436 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 436 Q C 1.732 177.734 176.000 0.002 0.000 0.972 436 Q CA 0.639 56.443 55.803 0.002 0.000 0.847 436 Q CB 0.058 28.797 28.738 0.002 0.000 0.903 436 Q HN 0.240 nan 8.270 nan 0.000 0.433 437 N N 0.017 118.718 118.700 0.002 0.000 2.188 437 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 437 N C 1.814 177.326 175.510 0.003 0.000 1.018 437 N CA 0.886 53.937 53.050 0.002 0.000 0.858 437 N CB -0.215 38.273 38.487 0.002 0.000 0.989 437 N HN 0.043 nan 8.380 nan 0.000 0.426 438 V N 0.906 120.821 119.914 0.003 0.000 2.407 438 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 438 V C 2.417 178.514 176.094 0.004 0.000 1.055 438 V CA 1.936 64.238 62.300 0.003 0.000 1.049 438 V CB -1.177 30.649 31.823 0.003 0.000 0.662 438 V HN 0.328 nan 8.190 nan 0.000 0.455 439 G N 0.034 108.837 108.800 0.004 0.000 2.446 439 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 439 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 439 G C 1.579 176.481 174.900 0.004 0.000 1.168 439 G CA 1.156 46.259 45.100 0.004 0.000 0.771 439 G HN 0.478 nan 8.290 nan 0.000 0.551 440 I N 0.396 120.967 120.570 0.003 0.000 2.163 440 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 440 I C 2.740 178.860 176.117 0.004 0.000 1.085 440 I CA 1.181 62.483 61.300 0.003 0.000 1.347 440 I CB -0.100 37.901 38.000 0.002 0.000 1.044 440 I HN 0.025 nan 8.210 nan 0.000 0.408 441 K N 0.422 120.824 120.400 0.004 0.000 2.097 441 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 441 K C 2.126 178.729 176.600 0.005 0.000 1.050 441 K CA 0.953 57.243 56.287 0.005 0.000 0.938 441 K CB -0.677 31.826 32.500 0.004 0.000 0.718 441 K HN 0.216 nan 8.250 nan 0.000 0.442 442 V N 1.710 121.627 119.914 0.005 0.000 2.332 442 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 442 V C 2.464 178.562 176.094 0.007 0.000 1.055 442 V CA 2.074 64.378 62.300 0.006 0.000 1.038 442 V CB -0.769 31.058 31.823 0.006 0.000 0.651 442 V HN 0.298 nan 8.190 nan 0.000 0.450 443 A N -0.340 122.484 122.820 0.006 0.000 1.873 443 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 443 A C 2.174 179.762 177.584 0.007 0.000 1.186 443 A CA 1.602 53.643 52.037 0.006 0.000 0.616 443 A CB -0.496 18.507 19.000 0.004 0.000 0.823 443 A HN 0.501 nan 8.150 nan 0.000 0.442 444 L N -1.325 119.902 121.223 0.007 0.000 2.131 444 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 444 L C 2.802 179.678 176.870 0.010 0.000 1.092 444 L CA 1.518 56.362 54.840 0.008 0.000 0.759 444 L CB -0.518 41.546 42.059 0.008 0.000 0.903 444 L HN 0.419 nan 8.230 nan 0.000 0.435 445 R N 0.272 120.777 120.500 0.008 0.000 2.062 445 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 445 R C 2.437 178.743 176.300 0.009 0.000 1.128 445 R CA 1.270 57.376 56.100 0.008 0.000 0.960 445 R CB -0.231 30.073 30.300 0.007 0.000 0.855 445 R HN 0.313 nan 8.270 nan 0.000 0.432 446 A N 0.673 123.499 122.820 0.009 0.000 1.978 446 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 446 A C 2.065 179.656 177.584 0.012 0.000 1.170 446 A CA 1.482 53.526 52.037 0.010 0.000 0.636 446 A CB -0.450 18.556 19.000 0.011 0.000 0.810 446 A HN 0.335 nan 8.150 nan 0.000 0.448 447 M N -0.771 118.837 119.600 0.012 0.000 2.539 447 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 447 M C 1.420 177.729 176.300 0.015 0.000 1.069 447 M CA 1.116 56.424 55.300 0.014 0.000 1.081 447 M CB -0.202 32.406 32.600 0.014 0.000 1.412 447 M HN 0.479 nan 8.290 nan 0.000 0.482 448 E N -0.133 120.075 120.200 0.013 0.000 2.447 448 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 448 E C 2.019 178.625 176.600 0.010 0.000 1.028 448 E CA 0.361 56.769 56.400 0.013 0.000 0.876 448 E CB 0.116 29.823 29.700 0.012 0.000 0.885 448 E HN 0.471 nan 8.360 nan 0.000 0.500 449 A N 2.354 125.180 122.820 0.010 0.000 1.908 449 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 449 A C -0.338 177.251 177.584 0.008 0.000 1.181 449 A CA 1.253 53.295 52.037 0.008 0.000 0.627 449 A CB -1.314 17.692 19.000 0.009 0.000 0.818 449 A HN 0.125 nan 8.150 nan 0.000 0.445 450 P HA -0.155 nan 4.420 nan 0.000 0.214 450 P C 1.818 179.125 177.300 0.011 0.000 1.163 450 P CA 0.990 64.097 63.100 0.012 0.000 0.883 450 P CB -0.119 31.590 31.700 0.015 0.000 0.788 451 L N -0.811 120.419 121.223 0.013 0.000 2.083 451 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 451 L C 2.401 179.271 176.870 -0.000 0.000 1.083 451 L CA 1.717 56.565 54.840 0.013 0.000 0.752 451 L CB -0.259 41.809 42.059 0.015 0.000 0.899 451 L HN -0.189 nan 8.230 nan 0.000 0.433 452 R N -0.884 119.613 120.500 -0.005 0.000 2.092 452 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 452 R C 2.321 178.615 176.300 -0.011 0.000 1.119 452 R CA 1.527 57.618 56.100 -0.015 0.000 0.970 452 R CB -0.276 30.018 30.300 -0.010 0.000 0.864 452 R HN 0.361 nan 8.270 nan 0.000 0.440 453 Q N 0.978 120.777 119.800 -0.002 0.000 2.119 453 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 453 Q C 1.780 177.783 176.000 0.005 0.000 0.972 453 Q CA 1.422 57.225 55.803 0.001 0.000 0.847 453 Q CB -0.068 28.672 28.738 0.003 0.000 0.903 453 Q HN 0.328 nan 8.270 nan 0.000 0.433 454 I N -0.794 119.782 120.570 0.011 0.000 2.226 454 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 454 I C 1.965 178.102 176.117 0.034 0.000 1.100 454 I CA 0.901 62.214 61.300 0.022 0.000 1.374 454 I CB -0.214 37.805 38.000 0.032 0.000 1.057 454 I HN 0.059 nan 8.210 nan 0.000 0.413 455 V N 0.476 120.401 119.914 0.019 0.000 2.358 455 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 455 V C 2.364 178.453 176.094 -0.007 0.000 1.047 455 V CA 1.534 63.830 62.300 -0.006 0.000 1.035 455 V CB -0.510 31.243 31.823 -0.116 0.000 0.658 455 V HN 0.342 nan 8.190 nan 0.000 0.452 456 L N 0.937 122.153 121.223 -0.012 0.000 2.042 456 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 456 L C 2.153 179.024 176.870 0.002 0.000 1.076 456 L CA 1.958 56.794 54.840 -0.008 0.000 0.749 456 L CB -0.903 41.151 42.059 -0.007 0.000 0.893 456 L HN 0.327 nan 8.230 nan 0.000 0.432 457 N N -1.372 117.332 118.700 0.007 0.000 2.443 457 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 457 N C 1.704 177.223 175.510 0.014 0.000 1.037 457 N CA 1.394 54.449 53.050 0.008 0.000 0.896 457 N CB -0.667 37.824 38.487 0.007 0.000 0.959 457 N HN 0.426 nan 8.380 nan 0.000 0.442 458 C N -0.821 118.494 119.300 0.026 0.000 2.514 458 C HA 0.252 4.712 4.460 -0.000 0.000 0.271 458 C C 1.706 176.714 174.990 0.029 0.000 1.399 458 C CA 0.477 59.518 59.018 0.038 0.000 1.765 458 C CB -1.033 26.760 27.740 0.087 0.000 1.893 458 C HN 0.620 nan 8.230 nan 0.000 0.531 459 G N 0.818 109.629 108.800 0.017 0.000 2.132 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.234 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.234 459 G C -0.239 174.667 174.900 0.009 0.000 0.989 459 G CA 0.134 45.241 45.100 0.011 0.000 0.676 459 G HN 0.474 nan 8.290 nan 0.000 0.522 460 E N 0.177 120.379 120.200 0.003 0.000 2.259 460 E HA 0.463 4.813 4.350 -0.000 0.000 0.257 460 E C 0.171 176.745 176.600 -0.042 0.000 0.998 460 E CA -0.746 55.642 56.400 -0.019 0.000 0.866 460 E CB 0.638 30.312 29.700 -0.044 0.000 1.220 460 E HN 0.479 nan 8.360 nan 0.000 0.415 461 E N 1.726 121.894 120.200 -0.054 0.000 2.052 461 E HA 0.122 4.472 4.350 -0.000 0.000 0.283 461 E C -1.730 174.827 176.600 -0.072 0.000 1.071 461 E CA -1.579 54.793 56.400 -0.048 0.000 0.851 461 E CB 0.876 30.558 29.700 -0.029 0.000 1.066 461 E HN 0.120 nan 8.360 nan 0.000 0.396 462 P HA -0.242 nan 4.420 nan 0.000 0.215 462 P C 1.153 178.423 177.300 -0.049 0.000 1.163 462 P CA 1.323 64.388 63.100 -0.059 0.000 0.894 462 P CB 0.288 31.968 31.700 -0.034 0.000 0.791 463 S N -1.052 114.630 115.700 -0.030 0.000 2.368 463 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 463 S C 1.988 176.579 174.600 -0.015 0.000 1.030 463 S CA 1.204 59.394 58.200 -0.017 0.000 0.999 463 S CB -1.151 62.043 63.200 -0.010 0.000 0.844 463 S HN -0.065 nan 8.310 nan 0.000 0.459 464 V N 1.364 121.266 119.914 -0.020 0.000 2.295 464 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 464 V C 2.314 178.410 176.094 0.003 0.000 1.049 464 V CA 1.496 63.791 62.300 -0.007 0.000 1.024 464 V CB -0.745 31.074 31.823 -0.006 0.000 0.648 464 V HN 0.336 nan 8.190 nan 0.000 0.447 465 V N 0.307 120.191 119.914 -0.050 0.000 2.343 465 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 465 V C 2.711 178.812 176.094 0.011 0.000 1.051 465 V CA 1.984 64.245 62.300 -0.066 0.000 1.036 465 V CB -1.169 30.412 31.823 -0.403 0.000 0.654 465 V HN 0.555 nan 8.190 nan 0.000 0.451 466 A N 0.408 123.219 122.820 -0.016 0.000 1.902 466 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 466 A C 2.071 179.681 177.584 0.043 0.000 1.181 466 A CA 2.379 54.425 52.037 0.015 0.000 0.623 466 A CB -0.887 18.114 19.000 0.002 0.000 0.818 466 A HN 0.612 nan 8.150 nan 0.000 0.443 467 N N -0.594 118.125 118.700 0.032 0.000 2.069 467 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 467 N C 1.714 177.255 175.510 0.051 0.000 1.031 467 N CA 2.405 55.474 53.050 0.032 0.000 0.852 467 N CB -0.410 38.086 38.487 0.016 0.000 1.018 467 N HN 0.412 nan 8.380 nan 0.000 0.423 468 T N -0.411 114.183 114.554 0.067 0.000 2.708 468 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 468 T C 1.978 176.799 174.700 0.201 0.000 1.037 468 T CA 1.363 63.505 62.100 0.070 0.000 1.146 468 T CB -0.519 68.331 68.868 -0.031 0.000 0.865 468 T HN 0.019 nan 8.240 nan 0.000 0.435 469 V N 1.684 121.747 119.914 0.249 0.000 2.287 469 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 469 V C 2.469 178.701 176.094 0.230 0.000 1.053 469 V CA 1.610 64.076 62.300 0.278 0.000 1.027 469 V CB -0.511 31.412 31.823 0.166 0.000 0.646 469 V HN 0.478 nan 8.190 nan 0.000 0.447 470 K N 0.117 120.599 120.400 0.135 0.000 2.209 470 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 470 K C 2.208 178.855 176.600 0.078 0.000 1.048 470 K CA 1.264 57.607 56.287 0.093 0.000 0.940 470 K CB -0.530 32.005 32.500 0.057 0.000 0.729 470 K HN 0.584 nan 8.250 nan 0.000 0.451 471 G N 1.222 110.068 108.800 0.076 0.000 2.408 471 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 471 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 471 G C 0.887 175.784 174.900 -0.006 0.000 1.150 471 G CA 0.830 45.944 45.100 0.024 0.000 0.776 471 G HN 0.387 nan 8.290 nan 0.000 0.542 472 G N -0.135 108.686 108.800 0.036 0.000 2.531 472 G HA2 0.488 4.448 3.960 -0.000 0.000 0.253 472 G HA3 0.488 4.448 3.960 -0.000 0.000 0.253 472 G C -0.585 174.337 174.900 0.037 0.000 1.439 472 G CA 0.374 45.419 45.100 -0.092 0.000 1.056 472 G HN 0.464 nan 8.290 nan 0.000 0.555 473 D N -3.998 116.434 120.400 0.053 0.000 2.692 473 D HA 0.509 5.149 4.640 -0.000 0.000 0.290 473 D C 0.534 176.897 176.300 0.106 0.000 1.281 473 D CA 0.508 54.555 54.000 0.078 0.000 0.804 473 D CB 0.544 41.360 40.800 0.027 0.000 1.331 473 D HN 1.732 nan 8.370 nan 0.000 0.432 474 G N 0.615 109.464 108.800 0.083 0.000 2.550 474 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.277 474 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.277 474 G C 0.259 175.222 174.900 0.104 0.000 1.190 474 G CA 0.350 45.497 45.100 0.079 0.000 0.971 474 G HN 0.766 nan 8.290 nan 0.000 0.559 475 N N 0.020 118.784 118.700 0.107 0.000 2.370 475 N HA 0.213 4.953 4.740 -0.000 0.000 0.198 475 N C 0.276 175.874 175.510 0.145 0.000 1.156 475 N CA -0.085 53.025 53.050 0.101 0.000 0.839 475 N CB 0.140 38.670 38.487 0.072 0.000 0.989 475 N HN 0.465 nan 8.380 nan 0.000 0.468 476 Y N 1.492 121.826 120.300 0.057 0.000 2.544 476 Y HA 0.321 4.871 4.550 -0.000 0.000 0.330 476 Y C 0.680 176.650 175.900 0.116 0.000 1.136 476 Y CA 0.109 58.260 58.100 0.085 0.000 1.417 476 Y CB 0.137 38.644 38.460 0.077 0.000 1.229 476 Y HN -0.007 nan 8.280 nan 0.000 0.532 477 G N 4.081 112.676 108.800 -0.342 0.000 2.682 477 G HA2 0.276 4.236 3.960 -0.000 0.000 0.303 477 G HA3 0.276 4.236 3.960 -0.000 0.000 0.303 477 G C -2.469 172.296 174.900 -0.225 0.000 1.341 477 G CA -0.912 44.062 45.100 -0.211 0.000 0.784 477 G HN 0.504 nan 8.290 nan 0.000 0.497 478 Y N 1.479 121.601 120.300 -0.298 0.000 2.328 478 Y HA 0.562 5.112 4.550 -0.000 0.000 0.337 478 Y C -0.075 175.653 175.900 -0.286 0.000 0.966 478 Y CA -1.399 56.431 58.100 -0.450 0.000 1.136 478 Y CB 1.553 39.723 38.460 -0.484 0.000 1.170 478 Y HN 0.417 nan 8.280 nan 0.000 0.470 479 N N 4.847 123.111 118.700 -0.728 0.000 2.439 479 N HA 0.166 4.906 4.740 -0.000 0.000 0.243 479 N C 0.456 175.500 175.510 -0.776 0.000 1.088 479 N CA 0.561 53.286 53.050 -0.541 0.000 0.940 479 N CB 1.317 39.580 38.487 -0.374 0.000 1.180 479 N HN 0.916 nan 8.380 nan 0.000 0.505 480 A N 3.633 126.160 122.820 -0.488 0.000 2.015 480 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 480 A C 2.021 179.474 177.584 -0.219 0.000 1.163 480 A CA 1.588 53.437 52.037 -0.312 0.000 0.646 480 A CB -0.347 18.620 19.000 -0.055 0.000 0.806 480 A HN 0.698 nan 8.150 nan 0.000 0.448 481 A N -0.399 122.303 122.820 -0.197 0.000 1.897 481 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 481 A C 2.327 179.828 177.584 -0.139 0.000 1.181 481 A CA 2.247 54.205 52.037 -0.131 0.000 0.620 481 A CB -0.876 18.062 19.000 -0.103 0.000 0.821 481 A HN 0.745 nan 8.150 nan 0.000 0.443 482 T N -3.971 110.467 114.554 -0.194 0.000 3.022 482 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 482 T C 0.230 174.810 174.700 -0.199 0.000 1.060 482 T CA 0.645 62.648 62.100 -0.162 0.000 1.013 482 T CB -0.150 68.633 68.868 -0.141 0.000 0.982 482 T HN 0.525 nan 8.240 nan 0.000 0.508 483 E N 1.223 121.203 120.200 -0.368 0.000 2.416 483 E HA -0.122 4.228 4.350 -0.000 0.000 0.249 483 E C -0.911 175.499 176.600 -0.316 0.000 1.124 483 E CA 0.535 56.696 56.400 -0.398 0.000 0.732 483 E CB -1.309 28.359 29.700 -0.054 0.000 1.286 483 E HN 0.656 nan 8.360 nan 0.000 0.394 484 E N -0.273 119.644 120.200 -0.471 0.000 2.317 484 E HA 0.434 4.784 4.350 -0.000 0.000 0.270 484 E C -0.422 176.002 176.600 -0.294 0.000 0.885 484 E CA -0.739 55.540 56.400 -0.202 0.000 0.760 484 E CB 0.998 30.643 29.700 -0.092 0.000 1.227 484 E HN 0.033 nan 8.360 nan 0.000 0.434 485 Y N 0.005 120.292 120.300 -0.022 0.000 2.326 485 Y HA 0.629 5.179 4.550 -0.000 0.000 0.324 485 Y C 1.223 177.080 175.900 -0.072 0.000 1.291 485 Y CA 0.528 58.575 58.100 -0.088 0.000 1.348 485 Y CB 1.642 40.081 38.460 -0.035 0.000 1.294 485 Y HN 0.680 nan 8.280 nan 0.000 0.525 486 G N 0.528 109.333 108.800 0.009 0.000 2.323 486 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.291 486 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.291 486 G C -1.905 173.041 174.900 0.077 0.000 1.278 486 G CA -1.170 43.993 45.100 0.104 0.000 0.860 486 G HN 0.520 nan 8.290 nan 0.000 0.504 487 N N 1.058 119.817 118.700 0.098 0.000 2.408 487 N HA 0.160 4.900 4.740 -0.000 0.000 0.257 487 N C 1.684 177.211 175.510 0.029 0.000 1.064 487 N CA -0.564 52.538 53.050 0.087 0.000 0.952 487 N CB 0.910 39.449 38.487 0.085 0.000 1.093 487 N HN 0.365 nan 8.380 nan 0.000 0.490 488 M N 3.426 123.035 119.600 0.014 0.000 2.149 488 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 488 M C 1.607 177.907 176.300 0.000 0.000 1.064 488 M CA 1.098 56.393 55.300 -0.009 0.000 1.102 488 M CB -0.606 31.990 32.600 -0.007 0.000 1.369 488 M HN 0.547 nan 8.290 nan 0.000 0.408 489 I N 0.423 121.002 120.570 0.015 0.000 2.202 489 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 489 I C 1.860 177.983 176.117 0.010 0.000 1.091 489 I CA 1.348 62.656 61.300 0.013 0.000 1.368 489 I CB -1.615 36.398 38.000 0.020 0.000 1.058 489 I HN 0.227 nan 8.210 nan 0.000 0.410 490 D N 0.648 121.058 120.400 0.016 0.000 2.178 490 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 490 D C 2.178 178.479 176.300 0.003 0.000 0.980 490 D CA 1.091 55.099 54.000 0.013 0.000 0.842 490 D CB -0.124 40.689 40.800 0.022 0.000 0.948 490 D HN 0.343 nan 8.370 nan 0.000 0.472 491 M N -0.739 118.858 119.600 -0.005 0.000 2.618 491 M HA 0.145 4.625 4.480 -0.000 0.000 0.240 491 M C 1.031 177.317 176.300 -0.023 0.000 1.123 491 M CA 0.441 55.728 55.300 -0.021 0.000 1.060 491 M CB 0.502 33.078 32.600 -0.040 0.000 1.535 491 M HN 0.046 nan 8.290 nan 0.000 0.507 492 G N 2.138 110.930 108.800 -0.014 0.000 2.160 492 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.251 492 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.251 492 G C -0.005 174.885 174.900 -0.016 0.000 1.008 492 G CA -0.179 44.914 45.100 -0.012 0.000 0.724 492 G HN 0.533 nan 8.290 nan 0.000 0.514 493 I N 1.139 121.697 120.570 -0.020 0.000 2.313 493 I HA 0.469 4.639 4.170 -0.000 0.000 0.286 493 I C 0.468 176.579 176.117 -0.010 0.000 1.091 493 I CA -0.436 60.851 61.300 -0.023 0.000 1.216 493 I CB 0.393 38.369 38.000 -0.040 0.000 1.434 493 I HN 0.014 nan 8.210 nan 0.000 0.487 494 L N 4.731 125.952 121.223 -0.004 0.000 2.354 494 L HA 0.688 5.028 4.340 -0.000 0.000 0.264 494 L C -1.016 175.859 176.870 0.008 0.000 1.008 494 L CA -0.960 53.882 54.840 0.004 0.000 0.819 494 L CB 2.120 44.182 42.059 0.006 0.000 1.339 494 L HN 0.285 nan 8.230 nan 0.000 0.420 495 D N 0.875 121.282 120.400 0.012 0.000 2.646 495 D HA 0.399 5.039 4.640 -0.000 0.000 0.245 495 D C -2.643 173.669 176.300 0.021 0.000 1.099 495 D CA -1.456 52.554 54.000 0.017 0.000 0.849 495 D CB 2.496 43.307 40.800 0.018 0.000 1.448 495 D HN 0.126 nan 8.370 nan 0.000 0.489 496 P HA 0.092 nan 4.420 nan 0.000 0.271 496 P C 0.827 178.143 177.300 0.026 0.000 1.220 496 P CA -0.015 63.101 63.100 0.026 0.000 0.768 496 P CB 0.685 32.407 31.700 0.036 0.000 0.848 497 T N 2.529 117.096 114.554 0.020 0.000 2.737 497 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 497 T C 1.613 176.327 174.700 0.022 0.000 1.040 497 T CA 1.345 63.456 62.100 0.019 0.000 1.142 497 T CB -0.288 68.589 68.868 0.014 0.000 0.861 497 T HN 0.499 nan 8.240 nan 0.000 0.456 498 K N 0.746 121.161 120.400 0.025 0.000 2.097 498 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 498 K C 2.407 179.036 176.600 0.048 0.000 1.049 498 K CA 1.420 57.726 56.287 0.031 0.000 0.933 498 K CB -0.318 32.200 32.500 0.029 0.000 0.717 498 K HN 0.328 nan 8.250 nan 0.000 0.442 499 V N 0.100 120.046 119.914 0.053 0.000 2.488 499 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 499 V C 1.680 177.807 176.094 0.056 0.000 1.046 499 V CA 2.282 64.621 62.300 0.064 0.000 1.053 499 V CB -0.449 31.412 31.823 0.062 0.000 0.679 499 V HN 0.335 nan 8.190 nan 0.000 0.458 500 T N 0.632 115.211 114.554 0.041 0.000 2.746 500 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 500 T C 1.952 176.671 174.700 0.031 0.000 1.039 500 T CA 2.088 64.208 62.100 0.033 0.000 1.142 500 T CB -0.376 68.507 68.868 0.025 0.000 0.866 500 T HN 0.614 nan 8.240 nan 0.000 0.444 501 R N 0.976 121.491 120.500 0.025 0.000 2.073 501 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 501 R C 2.521 178.825 176.300 0.006 0.000 1.134 501 R CA 1.757 57.862 56.100 0.008 0.000 0.952 501 R CB -0.358 29.943 30.300 0.001 0.000 0.850 501 R HN 0.242 nan 8.270 nan 0.000 0.433 502 S N 0.637 116.364 115.700 0.046 0.000 2.368 502 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 502 S C 2.022 176.726 174.600 0.173 0.000 1.030 502 S CA 1.093 59.357 58.200 0.107 0.000 0.999 502 S CB -0.220 63.110 63.200 0.216 0.000 0.844 502 S HN 0.572 nan 8.310 nan 0.000 0.459 503 A N 1.444 124.340 122.820 0.127 0.000 1.902 503 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 503 A C 2.139 179.776 177.584 0.088 0.000 1.181 503 A CA 1.453 53.560 52.037 0.117 0.000 0.623 503 A CB -0.720 18.322 19.000 0.071 0.000 0.818 503 A HN 0.416 nan 8.150 nan 0.000 0.443 504 L N -0.227 121.022 121.223 0.044 0.000 2.027 504 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 504 L C 2.504 179.368 176.870 -0.011 0.000 1.074 504 L CA 2.303 57.153 54.840 0.017 0.000 0.745 504 L CB -0.708 41.353 42.059 0.003 0.000 0.898 504 L HN 0.506 nan 8.230 nan 0.000 0.433 505 Q N -1.828 117.932 119.800 -0.068 0.000 2.079 505 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 505 Q C 2.134 178.018 176.000 -0.193 0.000 0.974 505 Q CA 1.920 57.620 55.803 -0.171 0.000 0.840 505 Q CB -0.290 28.270 28.738 -0.296 0.000 0.898 505 Q HN 0.521 nan 8.270 nan 0.000 0.430 506 Y N 0.179 120.483 120.300 0.005 0.000 2.314 506 Y HA -0.102 4.448 4.550 -0.000 0.000 0.293 506 Y C 2.351 178.254 175.900 0.004 0.000 1.129 506 Y CA 0.813 58.916 58.100 0.004 0.000 1.201 506 Y CB -0.551 37.911 38.460 0.004 0.000 0.999 506 Y HN 0.123 nan 8.280 nan 0.000 0.541 507 A N 0.150 123.051 122.820 0.136 0.000 1.877 507 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 507 A C 2.471 180.086 177.584 0.052 0.000 1.186 507 A CA 2.039 54.125 52.037 0.081 0.000 0.620 507 A CB -1.259 17.775 19.000 0.057 0.000 0.822 507 A HN 0.381 nan 8.150 nan 0.000 0.443 508 A N -0.928 121.909 122.820 0.028 0.000 1.933 508 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 508 A C 2.479 180.070 177.584 0.013 0.000 1.175 508 A CA 2.168 54.212 52.037 0.011 0.000 0.628 508 A CB -0.959 18.036 19.000 -0.009 0.000 0.814 508 A HN 0.590 nan 8.150 nan 0.000 0.444 509 S N -0.562 115.147 115.700 0.014 0.000 2.348 509 S HA -0.141 4.329 4.470 -0.000 0.000 0.221 509 S C 1.912 176.540 174.600 0.046 0.000 1.033 509 S CA 1.864 60.079 58.200 0.024 0.000 1.010 509 S CB -0.494 62.727 63.200 0.034 0.000 0.891 509 S HN 0.305 nan 8.310 nan 0.000 0.442 510 V N 2.149 122.103 119.914 0.067 0.000 2.379 510 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 510 V C 2.876 178.992 176.094 0.037 0.000 1.044 510 V CA 1.567 63.900 62.300 0.055 0.000 1.036 510 V CB -1.381 30.478 31.823 0.060 0.000 0.664 510 V HN 0.610 nan 8.190 nan 0.000 0.453 511 A N 0.806 123.647 122.820 0.034 0.000 1.908 511 A HA -0.123 4.196 4.320 -0.000 0.000 0.218 511 A C 2.438 180.035 177.584 0.021 0.000 1.181 511 A CA 2.040 54.092 52.037 0.025 0.000 0.627 511 A CB -1.294 17.720 19.000 0.022 0.000 0.818 511 A HN 0.520 nan 8.150 nan 0.000 0.445 512 G N -0.209 108.602 108.800 0.019 0.000 2.440 512 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 512 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 512 G C 1.554 176.464 174.900 0.017 0.000 1.154 512 G CA 1.081 46.190 45.100 0.015 0.000 0.767 512 G HN 0.442 nan 8.290 nan 0.000 0.552 513 L N -0.303 120.932 121.223 0.021 0.000 2.046 513 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 513 L C 3.119 180.001 176.870 0.020 0.000 1.077 513 L CA 0.947 55.799 54.840 0.021 0.000 0.747 513 L CB -0.316 41.758 42.059 0.024 0.000 0.896 513 L HN 0.239 nan 8.230 nan 0.000 0.432 514 M N -0.643 118.970 119.600 0.021 0.000 2.132 514 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 514 M C 2.310 178.621 176.300 0.019 0.000 1.065 514 M CA 1.762 57.074 55.300 0.020 0.000 1.122 514 M CB -0.294 32.319 32.600 0.021 0.000 1.365 514 M HN 0.204 nan 8.290 nan 0.000 0.411 515 I N 0.089 120.670 120.570 0.018 0.000 2.361 515 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 515 I C 1.799 177.927 176.117 0.017 0.000 1.133 515 I CA 1.452 62.761 61.300 0.016 0.000 1.413 515 I CB -0.381 37.627 38.000 0.014 0.000 1.073 515 I HN 0.388 nan 8.210 nan 0.000 0.424 516 T N -3.249 111.315 114.554 0.018 0.000 3.223 516 T HA 0.161 4.511 4.350 -0.000 0.000 0.259 516 T C 0.490 175.204 174.700 0.022 0.000 1.015 516 T CA -0.320 61.792 62.100 0.020 0.000 0.908 516 T CB -0.406 68.472 68.868 0.017 0.000 1.054 516 T HN -0.075 nan 8.240 nan 0.000 0.567 517 T N 2.201 116.768 114.554 0.022 0.000 2.806 517 T HA 0.327 4.677 4.350 -0.000 0.000 0.290 517 T C 0.597 175.314 174.700 0.028 0.000 0.966 517 T CA -0.517 61.596 62.100 0.022 0.000 1.060 517 T CB 1.574 70.452 68.868 0.018 0.000 0.927 517 T HN 0.101 nan 8.240 nan 0.000 0.485 518 E N 0.507 120.729 120.200 0.035 0.000 2.434 518 E HA 0.169 4.519 4.350 -0.000 0.000 0.207 518 E C 0.178 176.809 176.600 0.052 0.000 0.929 518 E CA 0.159 56.600 56.400 0.068 0.000 1.001 518 E CB 0.724 30.486 29.700 0.105 0.000 1.016 518 E HN 0.596 nan 8.360 nan 0.000 0.502 519 C N 0.600 119.879 119.300 -0.036 0.000 2.880 519 C HA 0.701 5.161 4.460 -0.000 0.000 0.320 519 C C -1.301 173.593 174.990 -0.159 0.000 1.176 519 C CA -0.651 58.229 59.018 -0.230 0.000 1.390 519 C CB 0.418 27.957 27.740 -0.335 0.000 1.846 519 C HN 0.119 nan 8.230 nan 0.000 0.478 520 M N 5.074 124.572 119.600 -0.170 0.000 2.326 520 M HA 0.591 5.070 4.480 -0.000 0.000 0.306 520 M C -1.058 175.294 176.300 0.087 0.000 1.054 520 M CA -0.560 54.761 55.300 0.035 0.000 0.922 520 M CB 2.095 34.841 32.600 0.243 0.000 1.632 520 M HN 0.430 nan 8.290 nan 0.000 0.436 521 V N 1.416 121.346 119.914 0.026 0.000 2.487 521 V HA 0.781 4.901 4.120 -0.000 0.000 0.298 521 V C -0.272 175.769 176.094 -0.088 0.000 1.028 521 V CA -0.417 61.879 62.300 -0.006 0.000 0.860 521 V CB 1.908 33.711 31.823 -0.033 0.000 0.991 521 V HN 0.948 nan 8.190 nan 0.000 0.427 522 T N 1.805 116.268 114.554 -0.153 0.000 2.821 522 T HA 0.379 4.729 4.350 -0.000 0.000 0.306 522 T C -1.439 173.158 174.700 -0.172 0.000 1.313 522 T CA -0.567 61.381 62.100 -0.253 0.000 1.012 522 T CB 1.888 70.422 68.868 -0.556 0.000 1.298 522 T HN 0.645 nan 8.240 nan 0.000 0.502 523 D N 1.762 122.073 120.400 -0.148 0.000 2.399 523 D HA 0.279 4.919 4.640 -0.000 0.000 0.241 523 D C 0.029 176.276 176.300 -0.089 0.000 1.133 523 D CA -0.110 53.835 54.000 -0.092 0.000 0.890 523 D CB 0.442 41.197 40.800 -0.076 0.000 1.201 523 D HN 0.272 nan 8.370 nan 0.000 0.432 524 L N 4.182 125.381 121.223 -0.040 0.000 2.453 524 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 524 L C -1.726 175.130 176.870 -0.023 0.000 1.182 524 L CA -1.324 53.508 54.840 -0.013 0.000 0.858 524 L CB 0.225 42.288 42.059 0.007 0.000 1.120 524 L HN 0.278 nan 8.230 nan 0.000 0.474 525 P HA 0.034 nan 4.420 nan 0.000 0.245 525 P C -0.945 176.350 177.300 -0.007 0.000 1.670 525 P CA 0.391 63.482 63.100 -0.015 0.000 1.146 525 P CB -0.110 31.590 31.700 0.001 0.000 1.954 526 K N 0.000 120.393 120.400 -0.012 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.282 56.287 -0.007 0.000 0.838 526 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543