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 2vro_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMTELLKNHV AGQWIAGTGA GITLTDPVTG VALVRVSSEG LDLARAFSFA DATA SEQUENCE REDGGAALRA LTYAQRAARL ADIVKLLQAK RGDYYAIATA NSGTTRNDSA DATA SEQUENCE VDIDGGIFTL SYYAKLGASL GEVHALRDGS AESLSKDRSF SAQHVLSPTR DATA SEQUENCE GVALFINAFN FPSWGLWEKA APALLSGVPV IVKPATATAW LTQRMVADVV DATA SEQUENCE DAGILPPGAL SIICGSSAGL LDQIRSFDVV SFTGSADTAA TLRAHPAFVQ DATA SEQUENCE RGARLNVEAD SLNSAILCAD ATPDTPAFDL FIKEVVREMT VKSGQKCTAI DATA SEQUENCE RRAFVPEAAL EPVLEALKAK LAKITVGNPR NDAVRMGSLV SREQYENVLA DATA SEQUENCE GIAALREEAV LAYDSSAVPL IDADANIAAC VAPHLFVVND PDNATLLHDV DATA SEQUENCE EVFGPVASVA PYRVTXXXXA LPEAHAVALA RRGQGSLVAS IYSNDDAHLG DATA SEQUENCE RLALELADSH GRVHAISPSV QHSQTGHGNV MPMSLHGGPG RAGGGEELGG DATA SEQUENCE LRALAFYHRR SAIQAASAAI GTLTQATHWP A 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.319 175.328 -0.015 0.000 0.993 0 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 0 H CB 0.000 29.756 29.762 -0.011 0.000 1.292 1 M N 0.853 120.509 119.600 0.092 0.000 2.761 1 M HA 0.447 4.971 4.480 0.074 0.000 0.305 1 M C 0.067 176.377 176.300 0.018 0.000 1.235 1 M CA -1.066 54.254 55.300 0.033 0.000 0.850 1 M CB 2.275 34.876 32.600 0.002 0.000 1.744 1 M HN 0.793 nan 8.290 nan 0.000 0.480 2 T N -1.941 112.606 114.554 -0.011 0.000 2.802 2 T HA 0.121 4.516 4.350 0.074 0.000 0.305 2 T C 0.073 174.733 174.700 -0.067 0.000 1.053 2 T CA -0.687 61.389 62.100 -0.039 0.000 1.058 2 T CB 0.585 69.420 68.868 -0.054 0.000 0.988 2 T HN 0.704 nan 8.240 nan 0.000 0.539 3 E N 0.371 120.509 120.200 -0.104 0.000 2.493 3 E HA 0.057 4.452 4.350 0.074 0.000 0.255 3 E C -0.661 175.837 176.600 -0.170 0.000 0.999 3 E CA -0.551 55.766 56.400 -0.138 0.000 0.934 3 E CB 0.221 29.807 29.700 -0.190 0.000 0.940 3 E HN 0.548 nan 8.360 nan 0.000 0.473 4 L N 6.896 128.049 121.223 -0.117 0.000 2.342 4 L HA 0.206 4.590 4.340 0.074 0.000 0.285 4 L C -0.677 176.122 176.870 -0.118 0.000 1.095 4 L CA 0.033 54.811 54.840 -0.103 0.000 0.843 4 L CB 0.402 42.430 42.059 -0.052 0.000 1.201 4 L HN 0.535 nan 8.230 nan 0.000 0.445 5 L N 5.578 126.704 121.223 -0.162 0.000 2.455 5 L HA 0.155 4.540 4.340 0.074 0.000 0.272 5 L C 0.635 177.511 176.870 0.010 0.000 1.174 5 L CA 0.025 54.783 54.840 -0.137 0.000 0.869 5 L CB 0.009 41.961 42.059 -0.178 0.000 1.130 5 L HN 0.592 nan 8.230 nan 0.000 0.474 6 K N 2.893 123.336 120.400 0.072 0.000 2.144 6 K HA 0.265 4.630 4.320 0.074 0.000 0.270 6 K C -0.372 176.476 176.600 0.413 0.000 1.005 6 K CA -0.771 55.653 56.287 0.228 0.000 0.932 6 K CB 0.855 33.526 32.500 0.285 0.000 1.021 6 K HN 0.532 nan 8.250 nan 0.000 0.462 7 N N 1.421 120.314 118.700 0.322 0.000 2.483 7 N HA 0.048 4.833 4.740 0.074 0.000 0.269 7 N C -0.670 174.952 175.510 0.186 0.000 1.209 7 N CA -0.178 53.022 53.050 0.249 0.000 0.969 7 N CB 0.764 39.313 38.487 0.104 0.000 1.173 7 N HN 0.488 nan 8.380 nan 0.000 0.475 8 H N 0.222 119.170 119.070 -0.204 0.000 2.685 8 H HA 0.456 5.056 4.556 0.074 0.000 0.307 8 H C -1.154 173.948 175.328 -0.377 0.000 1.017 8 H CA -0.683 54.979 56.048 -0.644 0.000 1.237 8 H CB 0.269 29.259 29.762 -1.287 0.000 1.409 8 H HN 0.287 nan 8.280 nan 0.000 0.488 9 V N 1.740 121.278 119.914 -0.627 0.000 2.888 9 V HA 0.755 4.919 4.120 0.074 0.000 0.309 9 V C 0.564 176.344 176.094 -0.523 0.000 1.114 9 V CA -0.692 61.356 62.300 -0.420 0.000 0.940 9 V CB 1.163 32.859 31.823 -0.210 0.000 1.021 9 V HN 1.086 nan 8.190 nan 0.000 0.426 10 A N 2.260 124.825 122.820 -0.425 0.000 2.783 10 A HA 0.166 4.531 4.320 0.074 0.000 0.292 10 A C 2.033 178.914 177.584 -1.172 0.000 1.495 10 A CA 1.543 53.155 52.037 -0.709 0.000 0.787 10 A CB -1.671 17.063 19.000 -0.443 0.000 1.017 10 A HN 3.213 nan 8.150 nan 0.000 0.516 11 G N -2.495 105.735 108.800 -0.950 0.000 2.153 11 G HA2 -0.219 3.786 3.960 0.074 0.000 0.252 11 G HA3 -0.219 3.786 3.960 0.074 0.000 0.252 11 G C -0.108 174.418 174.900 -0.624 0.000 0.994 11 G CA 1.125 45.818 45.100 -0.680 0.000 0.698 11 G HN 1.579 nan 8.290 nan 0.000 0.521 12 Q N -1.823 117.452 119.800 -0.874 0.000 2.389 12 Q HA 0.513 4.898 4.340 0.074 0.000 0.277 12 Q C -0.946 174.742 176.000 -0.519 0.000 1.082 12 Q CA -1.036 54.474 55.803 -0.488 0.000 0.810 12 Q CB 1.543 30.114 28.738 -0.277 0.000 1.374 12 Q HN 0.309 nan 8.270 nan 0.000 0.422 13 W N 2.860 124.186 121.300 0.043 0.000 2.345 13 W HA 0.365 5.070 4.660 0.075 0.000 0.308 13 W C -0.438 176.087 176.519 0.011 0.000 1.273 13 W CA -0.297 57.106 57.345 0.097 0.000 1.243 13 W CB 0.623 30.165 29.460 0.136 0.000 1.260 13 W HN 0.266 nan 8.180 nan 0.000 0.509 14 I N 3.803 124.498 120.570 0.208 0.000 2.478 14 I HA 0.349 4.563 4.170 0.074 0.000 0.287 14 I C 0.296 176.488 176.117 0.124 0.000 1.042 14 I CA -1.489 59.876 61.300 0.107 0.000 1.067 14 I CB 0.688 38.696 38.000 0.013 0.000 1.233 14 I HN 0.441 nan 8.210 nan 0.000 0.431 15 A N 4.618 127.496 122.820 0.097 0.000 2.425 15 A HA 0.621 4.985 4.320 0.074 0.000 0.249 15 A C 0.787 178.400 177.584 0.048 0.000 1.084 15 A CA 0.031 52.110 52.037 0.070 0.000 0.781 15 A CB 0.190 19.217 19.000 0.045 0.000 1.019 15 A HN 0.903 nan 8.150 nan 0.000 0.490 16 G N 0.984 109.811 108.800 0.044 0.000 2.594 16 G HA2 0.448 4.453 3.960 0.074 0.000 0.243 16 G HA3 0.448 4.453 3.960 0.074 0.000 0.243 16 G C 0.510 175.423 174.900 0.021 0.000 1.229 16 G CA 0.444 45.563 45.100 0.031 0.000 0.843 16 G HN 1.178 nan 8.290 nan 0.000 0.578 17 T N -1.685 112.879 114.554 0.016 0.000 2.862 17 T HA 0.711 5.105 4.350 0.074 0.000 0.276 17 T C 0.918 175.622 174.700 0.007 0.000 0.974 17 T CA 0.517 62.623 62.100 0.010 0.000 0.966 17 T CB 1.138 70.011 68.868 0.008 0.000 1.072 17 T HN 2.392 nan 8.240 nan 0.000 0.538 18 G N -0.012 108.790 108.800 0.003 0.000 2.725 18 G HA2 0.203 4.208 3.960 0.074 0.000 0.220 18 G HA3 0.203 4.208 3.960 0.074 0.000 0.220 18 G C 0.731 175.630 174.900 -0.003 0.000 1.357 18 G CA -0.101 44.999 45.100 0.000 0.000 0.866 18 G HN 1.624 nan 8.290 nan 0.000 0.548 19 A N -0.320 122.498 122.820 -0.004 0.000 2.167 19 A HA 0.604 4.968 4.320 0.074 0.000 0.214 19 A C 2.506 180.085 177.584 -0.009 0.000 1.151 19 A CA 2.011 54.044 52.037 -0.008 0.000 0.735 19 A CB -0.889 18.106 19.000 -0.007 0.000 0.802 19 A HN 2.979 nan 8.150 nan 0.000 0.467 20 G N -1.085 107.713 108.800 -0.003 0.000 2.804 20 G HA2 -0.181 3.824 3.960 0.074 0.000 0.230 20 G HA3 -0.181 3.824 3.960 0.074 0.000 0.230 20 G C -0.365 174.534 174.900 -0.002 0.000 1.386 20 G CA -0.018 45.081 45.100 -0.003 0.000 0.875 20 G HN 0.682 nan 8.290 nan 0.000 0.557 21 I N 0.637 121.206 120.570 -0.001 0.000 2.378 21 I HA 0.384 4.599 4.170 0.074 0.000 0.291 21 I C 0.660 176.773 176.117 -0.007 0.000 0.992 21 I CA -0.607 60.694 61.300 0.002 0.000 1.154 21 I CB 2.058 40.067 38.000 0.015 0.000 1.315 21 I HN 0.512 nan 8.210 nan 0.000 0.448 22 T N 6.833 121.382 114.554 -0.009 0.000 2.869 22 T HA 0.443 4.838 4.350 0.074 0.000 0.295 22 T C -0.146 174.549 174.700 -0.008 0.000 0.987 22 T CA -0.379 61.711 62.100 -0.017 0.000 1.109 22 T CB 0.632 69.491 68.868 -0.016 0.000 0.932 22 T HN 0.105 nan 8.240 nan 0.000 0.518 23 L N 3.722 124.939 121.223 -0.011 0.000 2.325 23 L HA 0.581 4.966 4.340 0.074 0.000 0.279 23 L C 0.976 177.854 176.870 0.013 0.000 1.054 23 L CA -0.188 54.659 54.840 0.012 0.000 0.804 23 L CB 1.338 43.418 42.059 0.035 0.000 1.200 23 L HN 0.846 nan 8.230 nan 0.000 0.436 24 T N -2.560 112.005 114.554 0.019 0.000 2.906 24 T HA 0.382 4.777 4.350 0.074 0.000 0.295 24 T C -0.675 174.039 174.700 0.024 0.000 1.075 24 T CA -0.948 61.161 62.100 0.015 0.000 1.005 24 T CB 1.712 70.578 68.868 -0.003 0.000 1.136 24 T HN 0.451 nan 8.240 nan 0.000 0.498 25 D N 2.607 123.022 120.400 0.024 0.000 2.358 25 D HA 0.178 4.862 4.640 0.074 0.000 0.258 25 D C -1.239 175.060 176.300 -0.002 0.000 1.223 25 D CA -1.974 52.041 54.000 0.024 0.000 0.886 25 D CB 1.526 42.343 40.800 0.028 0.000 1.120 25 D HN 0.283 nan 8.370 nan 0.000 0.482 26 P HA -0.062 nan 4.420 nan 0.000 0.237 26 P C 1.177 178.451 177.300 -0.044 0.000 1.178 26 P CA 0.234 63.314 63.100 -0.033 0.000 0.766 26 P CB 0.674 32.357 31.700 -0.028 0.000 0.876 27 V N 0.275 120.174 119.914 -0.025 0.000 2.581 27 V HA -0.057 4.108 4.120 0.074 0.000 0.240 27 V C 2.642 178.717 176.094 -0.031 0.000 1.054 27 V CA 2.319 64.602 62.300 -0.028 0.000 1.076 27 V CB -1.209 30.610 31.823 -0.007 0.000 0.748 27 V HN 0.237 nan 8.190 nan 0.000 0.474 28 T N -2.875 111.669 114.554 -0.017 0.000 3.037 28 T HA 0.273 4.668 4.350 0.074 0.000 0.252 28 T C 1.652 176.340 174.700 -0.019 0.000 1.073 28 T CA 1.112 63.204 62.100 -0.014 0.000 1.091 28 T CB 0.697 69.565 68.868 0.000 0.000 0.935 28 T HN 0.957 nan 8.240 nan 0.000 0.488 29 G N 1.051 109.837 108.800 -0.022 0.000 2.184 29 G HA2 -0.256 3.748 3.960 0.074 0.000 0.264 29 G HA3 -0.256 3.748 3.960 0.074 0.000 0.264 29 G C 0.177 175.071 174.900 -0.010 0.000 0.975 29 G CA 0.061 45.147 45.100 -0.024 0.000 0.642 29 G HN 0.724 nan 8.290 nan 0.000 0.536 30 V N 1.484 121.398 119.914 -0.001 0.000 2.694 30 V HA 0.409 4.574 4.120 0.074 0.000 0.306 30 V C 1.295 177.395 176.094 0.009 0.000 1.054 30 V CA 0.371 62.675 62.300 0.007 0.000 1.161 30 V CB 1.059 32.892 31.823 0.016 0.000 0.916 30 V HN 1.218 nan 8.190 nan 0.000 0.490 31 A N 5.697 128.520 122.820 0.005 0.000 2.450 31 A HA 0.523 4.888 4.320 0.074 0.000 0.255 31 A C 0.665 178.251 177.584 0.003 0.000 1.096 31 A CA -0.197 51.840 52.037 0.000 0.000 0.778 31 A CB 0.180 19.176 19.000 -0.006 0.000 1.031 31 A HN 0.871 nan 8.150 nan 0.000 0.494 32 L N 2.618 123.841 121.223 -0.000 0.000 2.379 32 L HA 0.293 4.678 4.340 0.074 0.000 0.190 32 L C 0.418 177.239 176.870 -0.082 0.000 1.111 32 L CA 0.709 55.553 54.840 0.007 0.000 0.820 32 L CB -0.251 41.850 42.059 0.071 0.000 1.046 32 L HN 0.708 nan 8.230 nan 0.000 0.485 33 V N -2.932 116.894 119.914 -0.147 0.000 3.226 33 V HA 0.563 4.727 4.120 0.074 0.000 0.304 33 V C -1.400 174.589 176.094 -0.174 0.000 1.336 33 V CA -1.110 61.031 62.300 -0.266 0.000 1.066 33 V CB 2.192 33.637 31.823 -0.630 0.000 1.087 33 V HN 0.166 nan 8.190 nan 0.000 0.451 34 R N 0.097 120.491 120.500 -0.176 0.000 2.807 34 R HA 0.919 5.304 4.340 0.074 0.000 0.276 34 R C -1.073 175.171 176.300 -0.094 0.000 0.979 34 R CA -0.591 55.449 56.100 -0.101 0.000 0.928 34 R CB 2.371 32.630 30.300 -0.068 0.000 1.191 34 R HN 1.135 nan 8.270 nan 0.000 0.471 35 V N -2.041 117.849 119.914 -0.040 0.000 3.001 35 V HA 0.911 5.076 4.120 0.074 0.000 0.314 35 V C -0.653 175.447 176.094 0.010 0.000 1.099 35 V CA -0.651 61.645 62.300 -0.007 0.000 0.989 35 V CB 2.031 33.869 31.823 0.025 0.000 1.040 35 V HN 0.754 nan 8.190 nan 0.000 0.434 36 S N 0.860 116.575 115.700 0.025 0.000 2.548 36 S HA 0.517 5.032 4.470 0.074 0.000 0.278 36 S C 0.138 174.763 174.600 0.042 0.000 1.150 36 S CA 0.146 58.364 58.200 0.029 0.000 0.907 36 S CB 1.767 64.978 63.200 0.019 0.000 1.108 36 S HN 2.127 nan 8.310 nan 0.000 0.459 37 S N 2.008 117.734 115.700 0.043 0.000 2.559 37 S HA 0.302 4.817 4.470 0.074 0.000 0.226 37 S C -0.106 174.516 174.600 0.037 0.000 1.000 37 S CA -0.388 57.840 58.200 0.047 0.000 0.948 37 S CB -0.065 63.169 63.200 0.056 0.000 0.870 37 S HN 0.675 nan 8.310 nan 0.000 0.497 38 E N 1.956 122.173 120.200 0.030 0.000 2.480 38 E HA 0.326 4.721 4.350 0.074 0.000 0.258 38 E C 1.226 177.837 176.600 0.020 0.000 0.984 38 E CA 1.079 57.492 56.400 0.023 0.000 0.930 38 E CB 0.224 29.935 29.700 0.018 0.000 0.936 38 E HN 0.587 nan 8.360 nan 0.000 0.466 39 G N 2.777 111.587 108.800 0.017 0.000 2.179 39 G HA2 -0.297 3.708 3.960 0.074 0.000 0.260 39 G HA3 -0.297 3.708 3.960 0.074 0.000 0.260 39 G C 0.378 175.285 174.900 0.012 0.000 0.977 39 G CA 0.087 45.194 45.100 0.012 0.000 0.641 39 G HN 0.422 nan 8.290 nan 0.000 0.533 40 L N 0.905 122.139 121.223 0.019 0.000 2.483 40 L HA 0.238 4.622 4.340 0.074 0.000 0.276 40 L C 0.691 177.571 176.870 0.017 0.000 1.213 40 L CA -0.186 54.664 54.840 0.017 0.000 0.843 40 L CB 0.416 42.492 42.059 0.028 0.000 1.107 40 L HN 0.113 nan 8.230 nan 0.000 0.487 41 D N 2.937 123.342 120.400 0.009 0.000 2.470 41 D HA 0.110 4.795 4.640 0.074 0.000 0.226 41 D C 1.023 177.349 176.300 0.044 0.000 1.196 41 D CA 0.074 54.082 54.000 0.014 0.000 0.979 41 D CB 0.529 41.327 40.800 -0.003 0.000 1.059 41 D HN 0.392 nan 8.370 nan 0.000 0.515 42 L N 2.343 123.604 121.223 0.062 0.000 2.131 42 L HA -0.135 4.249 4.340 0.074 0.000 0.210 42 L C 2.483 179.451 176.870 0.163 0.000 1.092 42 L CA 0.999 55.921 54.840 0.137 0.000 0.759 42 L CB -0.419 41.688 42.059 0.080 0.000 0.903 42 L HN 0.350 nan 8.230 nan 0.000 0.435 43 A N 0.482 123.339 122.820 0.062 0.000 1.865 43 A HA -0.232 4.132 4.320 0.074 0.000 0.217 43 A C 2.437 180.089 177.584 0.114 0.000 1.191 43 A CA 1.740 53.811 52.037 0.056 0.000 0.623 43 A CB -0.501 18.509 19.000 0.017 0.000 0.826 43 A HN 0.330 nan 8.150 nan 0.000 0.444 44 R N -0.886 119.666 120.500 0.086 0.000 2.115 44 R HA 0.029 4.413 4.340 0.074 0.000 0.226 44 R C 2.487 178.853 176.300 0.108 0.000 1.100 44 R CA 0.913 57.065 56.100 0.086 0.000 0.980 44 R CB -0.425 29.893 30.300 0.030 0.000 0.875 44 R HN 0.532 nan 8.270 nan 0.000 0.445 45 A N 0.851 123.734 122.820 0.104 0.000 1.883 45 A HA -0.180 4.185 4.320 0.074 0.000 0.217 45 A C 1.816 179.427 177.584 0.046 0.000 1.186 45 A CA 1.380 53.447 52.037 0.051 0.000 0.624 45 A CB -0.548 18.486 19.000 0.058 0.000 0.822 45 A HN 0.185 nan 8.150 nan 0.000 0.444 46 F N 0.860 120.812 119.950 0.004 0.000 2.187 46 F HA -0.106 4.463 4.527 0.070 0.000 0.295 46 F C 3.014 178.821 175.800 0.011 0.000 1.091 46 F CA 1.523 59.522 58.000 -0.002 0.000 1.308 46 F CB -0.486 38.504 39.000 -0.017 0.000 1.030 46 F HN 0.351 nan 8.300 nan 0.000 0.487 47 S N -0.151 115.672 115.700 0.205 0.000 2.368 47 S HA -0.263 4.252 4.470 0.074 0.000 0.225 47 S C 2.036 176.686 174.600 0.084 0.000 1.030 47 S CA 1.028 59.300 58.200 0.120 0.000 0.999 47 S CB -1.425 61.835 63.200 0.101 0.000 0.844 47 S HN 0.337 nan 8.310 nan 0.000 0.459 48 F N 2.891 122.827 119.950 -0.023 0.000 2.146 48 F HA 0.131 4.703 4.527 0.075 0.000 0.298 48 F C 2.579 178.335 175.800 -0.073 0.000 1.096 48 F CA 0.887 58.854 58.000 -0.054 0.000 1.275 48 F CB -0.866 38.088 39.000 -0.078 0.000 1.008 48 F HN 0.296 nan 8.300 nan 0.000 0.480 49 A N 0.520 123.353 122.820 0.021 0.000 1.865 49 A HA -0.229 4.136 4.320 0.074 0.000 0.217 49 A C 2.381 179.873 177.584 -0.153 0.000 1.191 49 A CA 1.900 53.877 52.037 -0.100 0.000 0.623 49 A CB -0.927 17.985 19.000 -0.146 0.000 0.826 49 A HN 0.446 nan 8.150 nan 0.000 0.444 50 R N -0.837 119.608 120.500 -0.092 0.000 2.073 50 R HA -0.130 4.255 4.340 0.074 0.000 0.234 50 R C 2.057 178.293 176.300 -0.107 0.000 1.134 50 R CA 1.642 57.702 56.100 -0.067 0.000 0.952 50 R CB -0.106 30.201 30.300 0.011 0.000 0.850 50 R HN 0.535 nan 8.270 nan 0.000 0.433 51 E N 0.410 120.529 120.200 -0.136 0.000 2.022 51 E HA -0.097 4.297 4.350 0.074 0.000 0.190 51 E C 1.726 178.177 176.600 -0.249 0.000 0.973 51 E CA 1.386 57.691 56.400 -0.158 0.000 0.816 51 E CB -0.412 29.216 29.700 -0.120 0.000 0.781 51 E HN 0.362 nan 8.360 nan 0.000 0.456 52 D N 0.339 120.476 120.400 -0.438 0.000 2.123 52 D HA -0.061 4.624 4.640 0.074 0.000 0.200 52 D C 1.913 177.954 176.300 -0.431 0.000 0.976 52 D CA 1.412 55.086 54.000 -0.544 0.000 0.831 52 D CB -0.424 39.734 40.800 -1.071 0.000 0.974 52 D HN 0.268 nan 8.370 nan 0.000 0.469 53 G N 0.246 108.785 108.800 -0.435 0.000 2.421 53 G HA2 -0.188 3.817 3.960 0.074 0.000 0.216 53 G HA3 -0.188 3.817 3.960 0.074 0.000 0.216 53 G C 1.694 176.488 174.900 -0.176 0.000 1.171 53 G CA 0.946 45.899 45.100 -0.244 0.000 0.775 53 G HN 0.380 nan 8.290 nan 0.000 0.543 54 G N 1.065 109.762 108.800 -0.172 0.000 2.404 54 G HA2 0.063 4.068 3.960 0.074 0.000 0.215 54 G HA3 0.063 4.068 3.960 0.074 0.000 0.215 54 G C 2.089 176.911 174.900 -0.130 0.000 1.174 54 G CA 1.580 46.599 45.100 -0.135 0.000 0.780 54 G HN 0.644 nan 8.290 nan 0.000 0.537 55 A N 1.214 123.949 122.820 -0.142 0.000 1.908 55 A HA 0.211 4.576 4.320 0.074 0.000 0.218 55 A C 2.822 180.339 177.584 -0.112 0.000 1.181 55 A CA 2.433 54.395 52.037 -0.125 0.000 0.627 55 A CB -0.845 18.078 19.000 -0.127 0.000 0.818 55 A HN 0.809 nan 8.150 nan 0.000 0.445 56 A N -0.365 122.384 122.820 -0.120 0.000 1.877 56 A HA -0.028 4.337 4.320 0.074 0.000 0.216 56 A C 2.195 179.733 177.584 -0.076 0.000 1.186 56 A CA 1.516 53.498 52.037 -0.091 0.000 0.620 56 A CB -0.605 18.339 19.000 -0.093 0.000 0.822 56 A HN 0.470 nan 8.150 nan 0.000 0.443 57 L N -1.146 120.024 121.223 -0.089 0.000 2.056 57 L HA -0.152 4.232 4.340 0.074 0.000 0.207 57 L C 2.806 179.623 176.870 -0.090 0.000 1.078 57 L CA 1.334 56.122 54.840 -0.088 0.000 0.749 57 L CB -0.441 41.556 42.059 -0.103 0.000 0.901 57 L HN 0.329 nan 8.230 nan 0.000 0.433 58 R N -0.134 120.310 120.500 -0.093 0.000 2.189 58 R HA -0.077 4.307 4.340 0.074 0.000 0.223 58 R C 2.314 178.594 176.300 -0.033 0.000 1.092 58 R CA 0.985 57.039 56.100 -0.076 0.000 0.989 58 R CB -0.346 29.898 30.300 -0.094 0.000 0.876 58 R HN 0.340 nan 8.270 nan 0.000 0.457 59 A N 1.240 124.029 122.820 -0.052 0.000 2.015 59 A HA -0.010 4.355 4.320 0.074 0.000 0.219 59 A C 1.116 178.755 177.584 0.091 0.000 1.163 59 A CA 0.663 52.675 52.037 -0.041 0.000 0.646 59 A CB -0.189 18.781 19.000 -0.050 0.000 0.806 59 A HN 0.096 nan 8.150 nan 0.000 0.448 60 L N 0.613 121.873 121.223 0.061 0.000 2.439 60 L HA 0.291 4.676 4.340 0.074 0.000 0.261 60 L C 1.071 177.940 176.870 -0.002 0.000 1.153 60 L CA -0.418 54.449 54.840 0.045 0.000 0.808 60 L CB 0.866 42.907 42.059 -0.029 0.000 1.126 60 L HN 0.344 nan 8.230 nan 0.000 0.460 61 T N -2.663 111.797 114.554 -0.157 0.000 2.849 61 T HA 0.149 4.544 4.350 0.074 0.000 0.284 61 T C 1.097 175.666 174.700 -0.219 0.000 1.004 61 T CA -0.247 61.639 62.100 -0.357 0.000 1.021 61 T CB 0.446 69.139 68.868 -0.291 0.000 1.013 61 T HN 0.375 nan 8.240 nan 0.000 0.527 62 Y N 1.012 121.244 120.300 -0.114 0.000 2.102 62 Y HA -0.123 4.470 4.550 0.071 0.000 0.280 62 Y C 3.032 178.887 175.900 -0.075 0.000 1.178 62 Y CA 2.037 60.104 58.100 -0.056 0.000 1.146 62 Y CB -1.162 37.279 38.460 -0.032 0.000 0.968 62 Y HN 0.834 nan 8.280 nan 0.000 0.504 63 A N -0.196 122.649 122.820 0.042 0.000 1.902 63 A HA -0.264 4.100 4.320 0.074 0.000 0.217 63 A C 2.113 179.678 177.584 -0.032 0.000 1.181 63 A CA 1.865 53.889 52.037 -0.022 0.000 0.623 63 A CB -0.725 18.236 19.000 -0.064 0.000 0.818 63 A HN 0.572 nan 8.150 nan 0.000 0.443 64 Q N -0.717 119.056 119.800 -0.044 0.000 2.050 64 Q HA -0.159 4.225 4.340 0.074 0.000 0.202 64 Q C 2.387 178.366 176.000 -0.034 0.000 0.980 64 Q CA 1.521 57.300 55.803 -0.040 0.000 0.840 64 Q CB -0.188 28.524 28.738 -0.042 0.000 0.898 64 Q HN 0.616 nan 8.270 nan 0.000 0.424 65 R N 0.181 120.657 120.500 -0.041 0.000 2.081 65 R HA -0.121 4.264 4.340 0.074 0.000 0.235 65 R C 2.281 178.574 176.300 -0.012 0.000 1.131 65 R CA 1.165 57.245 56.100 -0.032 0.000 0.960 65 R CB -0.416 29.851 30.300 -0.056 0.000 0.856 65 R HN 0.207 nan 8.270 nan 0.000 0.436 66 A N 1.388 124.207 122.820 -0.002 0.000 1.933 66 A HA -0.113 4.251 4.320 0.074 0.000 0.218 66 A C 2.395 179.964 177.584 -0.026 0.000 1.175 66 A CA 1.648 53.681 52.037 -0.007 0.000 0.628 66 A CB -0.559 18.432 19.000 -0.014 0.000 0.814 66 A HN 0.400 nan 8.150 nan 0.000 0.444 67 A N -0.161 122.642 122.820 -0.029 0.000 1.902 67 A HA -0.175 4.189 4.320 0.074 0.000 0.217 67 A C 2.230 179.797 177.584 -0.028 0.000 1.181 67 A CA 1.641 53.659 52.037 -0.032 0.000 0.623 67 A CB -0.440 18.542 19.000 -0.030 0.000 0.818 67 A HN 0.555 nan 8.150 nan 0.000 0.443 68 R N -0.434 120.053 120.500 -0.021 0.000 2.081 68 R HA -0.035 4.349 4.340 0.074 0.000 0.235 68 R C 2.053 178.339 176.300 -0.024 0.000 1.131 68 R CA 1.470 57.560 56.100 -0.016 0.000 0.960 68 R CB -0.542 29.755 30.300 -0.006 0.000 0.856 68 R HN 0.531 nan 8.270 nan 0.000 0.436 69 L N 0.093 121.302 121.223 -0.024 0.000 2.042 69 L HA -0.206 4.179 4.340 0.074 0.000 0.210 69 L C 2.655 179.479 176.870 -0.077 0.000 1.076 69 L CA 1.386 56.199 54.840 -0.044 0.000 0.749 69 L CB -0.715 41.335 42.059 -0.015 0.000 0.893 69 L HN 0.281 nan 8.230 nan 0.000 0.432 70 A N -0.193 122.590 122.820 -0.061 0.000 1.933 70 A HA -0.223 4.142 4.320 0.074 0.000 0.218 70 A C 1.906 179.452 177.584 -0.063 0.000 1.175 70 A CA 1.961 53.958 52.037 -0.066 0.000 0.628 70 A CB -0.462 18.505 19.000 -0.055 0.000 0.814 70 A HN 0.351 nan 8.150 nan 0.000 0.444 71 D N 0.035 120.405 120.400 -0.050 0.000 2.117 71 D HA -0.093 4.592 4.640 0.074 0.000 0.198 71 D C 1.825 178.092 176.300 -0.055 0.000 0.982 71 D CA 1.035 55.011 54.000 -0.040 0.000 0.828 71 D CB -0.319 40.467 40.800 -0.023 0.000 0.967 71 D HN 0.534 nan 8.370 nan 0.000 0.464 72 I N 0.320 120.839 120.570 -0.085 0.000 2.226 72 I HA -0.234 3.981 4.170 0.074 0.000 0.245 72 I C 2.383 178.385 176.117 -0.193 0.000 1.100 72 I CA 0.506 61.721 61.300 -0.142 0.000 1.374 72 I CB -0.231 37.632 38.000 -0.228 0.000 1.057 72 I HN -0.108 nan 8.210 nan 0.000 0.413 73 V N 1.204 121.003 119.914 -0.191 0.000 2.252 73 V HA -0.355 3.810 4.120 0.074 0.000 0.249 73 V C 2.469 178.513 176.094 -0.083 0.000 1.056 73 V CA 2.086 64.291 62.300 -0.158 0.000 1.022 73 V CB -0.754 30.998 31.823 -0.118 0.000 0.641 73 V HN 0.422 nan 8.190 nan 0.000 0.445 74 K N -0.614 119.751 120.400 -0.059 0.000 2.057 74 K HA -0.195 4.170 4.320 0.074 0.000 0.207 74 K C 2.087 178.677 176.600 -0.016 0.000 1.049 74 K CA 1.508 57.778 56.287 -0.030 0.000 0.931 74 K CB -0.424 32.060 32.500 -0.025 0.000 0.714 74 K HN 0.277 nan 8.250 nan 0.000 0.440 75 L N 1.604 122.817 121.223 -0.017 0.000 1.994 75 L HA -0.160 4.225 4.340 0.074 0.000 0.208 75 L C 1.952 178.851 176.870 0.048 0.000 1.071 75 L CA 1.578 56.425 54.840 0.012 0.000 0.745 75 L CB -0.473 41.599 42.059 0.022 0.000 0.892 75 L HN 0.128 nan 8.230 nan 0.000 0.431 76 L N -0.946 120.312 121.223 0.057 0.000 2.042 76 L HA -0.259 4.125 4.340 0.074 0.000 0.210 76 L C 2.648 179.614 176.870 0.160 0.000 1.076 76 L CA 1.552 56.510 54.840 0.198 0.000 0.749 76 L CB -0.727 41.358 42.059 0.042 0.000 0.893 76 L HN 0.400 nan 8.230 nan 0.000 0.432 77 Q N 0.393 120.230 119.800 0.063 0.000 2.096 77 Q HA -0.180 4.204 4.340 0.074 0.000 0.204 77 Q C 2.182 178.195 176.000 0.022 0.000 0.982 77 Q CA 2.074 57.910 55.803 0.055 0.000 0.850 77 Q CB -0.262 28.493 28.738 0.029 0.000 0.901 77 Q HN 0.453 nan 8.270 nan 0.000 0.422 78 A N -0.098 122.719 122.820 -0.004 0.000 2.067 78 A HA -0.093 4.271 4.320 0.074 0.000 0.219 78 A C 1.455 178.983 177.584 -0.092 0.000 1.158 78 A CA 1.312 53.328 52.037 -0.034 0.000 0.661 78 A CB -0.134 18.851 19.000 -0.025 0.000 0.801 78 A HN 0.316 nan 8.150 nan 0.000 0.452 79 K N -0.978 119.321 120.400 -0.168 0.000 2.440 79 K HA 0.202 4.567 4.320 0.074 0.000 0.206 79 K C 1.354 177.533 176.600 -0.701 0.000 1.025 79 K CA -0.284 55.745 56.287 -0.430 0.000 1.135 79 K CB 0.348 32.538 32.500 -0.517 0.000 0.856 79 K HN 0.322 nan 8.250 nan 0.000 0.502 80 R N 0.374 120.725 120.500 -0.248 0.000 2.117 80 R HA -0.136 4.248 4.340 0.074 0.000 0.243 80 R C 2.265 178.616 176.300 0.085 0.000 1.143 80 R CA 1.642 57.760 56.100 0.029 0.000 0.968 80 R CB -0.390 30.055 30.300 0.241 0.000 0.863 80 R HN 0.310 nan 8.270 nan 0.000 0.444 81 G N 1.218 110.000 108.800 -0.031 0.000 2.440 81 G HA2 -0.279 3.726 3.960 0.074 0.000 0.218 81 G HA3 -0.279 3.726 3.960 0.074 0.000 0.218 81 G C 0.810 175.703 174.900 -0.011 0.000 1.154 81 G CA 1.143 46.245 45.100 0.003 0.000 0.767 81 G HN 0.244 nan 8.290 nan 0.000 0.552 82 D N -0.060 120.240 120.400 -0.167 0.000 2.144 82 D HA -0.089 4.596 4.640 0.074 0.000 0.199 82 D C 2.170 178.451 176.300 -0.032 0.000 0.984 82 D CA 0.833 54.745 54.000 -0.147 0.000 0.834 82 D CB -0.329 40.319 40.800 -0.254 0.000 0.955 82 D HN 0.383 nan 8.370 nan 0.000 0.465 83 Y N -0.119 120.172 120.300 -0.016 0.000 2.200 83 Y HA -0.119 4.476 4.550 0.076 0.000 0.290 83 Y C 2.353 178.190 175.900 -0.105 0.000 1.137 83 Y CA 0.122 58.164 58.100 -0.097 0.000 1.163 83 Y CB -1.281 37.120 38.460 -0.098 0.000 0.988 83 Y HN 0.085 nan 8.280 nan 0.000 0.518 84 Y N -0.300 120.073 120.300 0.122 0.000 2.224 84 Y HA -0.202 4.393 4.550 0.075 0.000 0.289 84 Y C 2.607 178.535 175.900 0.046 0.000 1.146 84 Y CA 1.318 59.462 58.100 0.074 0.000 1.182 84 Y CB -0.664 37.825 38.460 0.049 0.000 0.983 84 Y HN 0.088 nan 8.280 nan 0.000 0.524 85 A N 0.014 122.934 122.820 0.166 0.000 1.898 85 A HA -0.150 4.215 4.320 0.074 0.000 0.216 85 A C 2.209 179.838 177.584 0.074 0.000 1.181 85 A CA 1.627 53.726 52.037 0.103 0.000 0.620 85 A CB -0.970 18.074 19.000 0.074 0.000 0.819 85 A HN 0.473 nan 8.150 nan 0.000 0.442 86 I N -0.227 120.358 120.570 0.025 0.000 2.179 86 I HA -0.291 3.924 4.170 0.074 0.000 0.242 86 I C 3.000 179.124 176.117 0.011 0.000 1.088 86 I CA 1.081 62.361 61.300 -0.034 0.000 1.357 86 I CB -0.359 37.472 38.000 -0.282 0.000 1.051 86 I HN 0.363 nan 8.210 nan 0.000 0.409 87 A N 0.389 123.209 122.820 -0.001 0.000 1.883 87 A HA -0.227 4.138 4.320 0.074 0.000 0.217 87 A C 2.380 179.991 177.584 0.044 0.000 1.186 87 A CA 2.560 54.599 52.037 0.004 0.000 0.624 87 A CB -1.181 17.787 19.000 -0.053 0.000 0.822 87 A HN 0.398 nan 8.150 nan 0.000 0.444 88 T N 0.271 114.867 114.554 0.070 0.000 2.684 88 T HA -0.079 4.315 4.350 0.074 0.000 0.267 88 T C 2.193 176.932 174.700 0.065 0.000 1.036 88 T CA 1.911 64.056 62.100 0.075 0.000 1.148 88 T CB -0.459 68.462 68.868 0.088 0.000 0.863 88 T HN 0.618 nan 8.240 nan 0.000 0.436 89 A N 1.637 124.502 122.820 0.076 0.000 1.855 89 A HA -0.043 4.321 4.320 0.074 0.000 0.213 89 A C 2.262 179.897 177.584 0.086 0.000 1.195 89 A CA 1.527 53.614 52.037 0.083 0.000 0.610 89 A CB -0.644 18.421 19.000 0.109 0.000 0.837 89 A HN 0.412 nan 8.150 nan 0.000 0.444 90 N N -0.435 118.329 118.700 0.106 0.000 2.300 90 N HA -0.012 4.772 4.740 0.074 0.000 0.179 90 N C 1.522 177.075 175.510 0.073 0.000 1.016 90 N CA 1.662 54.780 53.050 0.114 0.000 0.876 90 N CB 0.010 38.599 38.487 0.170 0.000 0.979 90 N HN 0.305 nan 8.380 nan 0.000 0.432 91 S N -1.569 114.166 115.700 0.058 0.000 2.505 91 S HA 0.283 4.798 4.470 0.074 0.000 0.216 91 S C 0.970 175.587 174.600 0.029 0.000 1.018 91 S CA 0.318 58.544 58.200 0.042 0.000 0.911 91 S CB 0.545 63.768 63.200 0.038 0.000 0.818 91 S HN 0.548 nan 8.310 nan 0.000 0.497 92 G N 3.086 111.905 108.800 0.032 0.000 2.179 92 G HA2 -0.273 3.732 3.960 0.074 0.000 0.257 92 G HA3 -0.273 3.732 3.960 0.074 0.000 0.257 92 G C 0.161 175.076 174.900 0.025 0.000 1.010 92 G CA 0.614 45.729 45.100 0.026 0.000 0.736 92 G HN 0.648 nan 8.290 nan 0.000 0.513 93 T N -0.625 113.946 114.554 0.028 0.000 2.882 93 T HA 0.638 5.033 4.350 0.074 0.000 0.287 93 T C 0.923 175.650 174.700 0.045 0.000 0.992 93 T CA 0.249 62.364 62.100 0.025 0.000 1.076 93 T CB 1.714 70.589 68.868 0.013 0.000 0.961 93 T HN 1.229 nan 8.240 nan 0.000 0.490 94 T N 0.085 114.663 114.554 0.040 0.000 2.791 94 T HA 0.085 4.479 4.350 0.074 0.000 0.323 94 T C 1.373 176.127 174.700 0.090 0.000 1.082 94 T CA -0.486 61.645 62.100 0.052 0.000 1.084 94 T CB 0.567 69.455 68.868 0.033 0.000 0.992 94 T HN 0.821 nan 8.240 nan 0.000 0.547 95 R N 1.097 121.659 120.500 0.103 0.000 2.083 95 R HA -0.164 4.221 4.340 0.074 0.000 0.237 95 R C 2.087 178.502 176.300 0.191 0.000 1.137 95 R CA 1.951 58.155 56.100 0.173 0.000 0.951 95 R CB -0.456 29.884 30.300 0.068 0.000 0.851 95 R HN 0.712 nan 8.270 nan 0.000 0.434 96 N N 0.821 119.581 118.700 0.099 0.000 2.149 96 N HA -0.153 4.631 4.740 0.074 0.000 0.188 96 N C 1.096 176.656 175.510 0.082 0.000 1.019 96 N CA 1.596 54.694 53.050 0.080 0.000 0.857 96 N CB -0.373 38.134 38.487 0.034 0.000 0.997 96 N HN 0.323 nan 8.380 nan 0.000 0.426 97 D N -0.129 120.311 120.400 0.066 0.000 2.123 97 D HA 0.030 4.715 4.640 0.074 0.000 0.200 97 D C 1.859 178.194 176.300 0.059 0.000 0.976 97 D CA 0.650 54.676 54.000 0.043 0.000 0.831 97 D CB -0.335 40.472 40.800 0.012 0.000 0.974 97 D HN 0.060 nan 8.370 nan 0.000 0.469 98 S N 0.589 116.338 115.700 0.080 0.000 2.383 98 S HA -0.190 4.325 4.470 0.074 0.000 0.229 98 S C 2.078 176.681 174.600 0.004 0.000 1.030 98 S CA 1.122 59.339 58.200 0.029 0.000 1.002 98 S CB -0.249 62.969 63.200 0.029 0.000 0.829 98 S HN 0.373 nan 8.310 nan 0.000 0.467 99 A N 1.070 123.984 122.820 0.156 0.000 1.972 99 A HA -0.052 4.313 4.320 0.074 0.000 0.219 99 A C 2.293 179.941 177.584 0.107 0.000 1.169 99 A CA 1.413 53.570 52.037 0.199 0.000 0.635 99 A CB -0.813 18.340 19.000 0.255 0.000 0.810 99 A HN 0.363 nan 8.150 nan 0.000 0.446 100 V N 0.365 120.334 119.914 0.092 0.000 2.332 100 V HA -0.264 3.900 4.120 0.074 0.000 0.248 100 V C 2.357 178.529 176.094 0.130 0.000 1.055 100 V CA 2.492 64.835 62.300 0.071 0.000 1.038 100 V CB -0.758 31.133 31.823 0.114 0.000 0.651 100 V HN 0.666 nan 8.190 nan 0.000 0.450 101 D N -0.206 120.349 120.400 0.259 0.000 2.091 101 D HA -0.081 4.603 4.640 0.074 0.000 0.199 101 D C 1.969 178.403 176.300 0.223 0.000 0.980 101 D CA 1.407 55.630 54.000 0.371 0.000 0.831 101 D CB -0.073 40.931 40.800 0.340 0.000 0.987 101 D HN 0.393 nan 8.370 nan 0.000 0.460 102 I N 0.421 121.034 120.570 0.073 0.000 2.141 102 I HA -0.158 4.057 4.170 0.074 0.000 0.236 102 I C 1.751 177.943 176.117 0.125 0.000 1.071 102 I CA 1.033 62.349 61.300 0.026 0.000 1.345 102 I CB -0.161 37.696 38.000 -0.238 0.000 1.066 102 I HN -0.048 nan 8.210 nan 0.000 0.406 103 D N 0.819 121.301 120.400 0.136 0.000 2.183 103 D HA -0.082 4.603 4.640 0.074 0.000 0.203 103 D C 2.154 178.561 176.300 0.177 0.000 0.969 103 D CA 1.303 55.407 54.000 0.174 0.000 0.842 103 D CB -0.442 40.471 40.800 0.187 0.000 0.957 103 D HN 0.397 nan 8.370 nan 0.000 0.484 104 G N 0.799 109.677 108.800 0.130 0.000 2.440 104 G HA2 -0.212 3.793 3.960 0.074 0.000 0.218 104 G HA3 -0.212 3.793 3.960 0.074 0.000 0.218 104 G C 1.695 176.819 174.900 0.374 0.000 1.154 104 G CA 1.130 46.305 45.100 0.125 0.000 0.767 104 G HN 0.387 nan 8.290 nan 0.000 0.552 105 G N 1.122 110.155 108.800 0.388 0.000 2.433 105 G HA2 -0.178 3.827 3.960 0.074 0.000 0.216 105 G HA3 -0.178 3.827 3.960 0.074 0.000 0.216 105 G C 1.791 176.844 174.900 0.255 0.000 1.186 105 G CA 0.910 46.267 45.100 0.427 0.000 0.779 105 G HN 0.437 nan 8.290 nan 0.000 0.543 106 I N -0.277 120.386 120.570 0.155 0.000 2.226 106 I HA -0.131 4.083 4.170 0.074 0.000 0.245 106 I C 2.438 178.627 176.117 0.121 0.000 1.100 106 I CA 1.077 62.400 61.300 0.038 0.000 1.374 106 I CB -0.310 37.724 38.000 0.057 0.000 1.057 106 I HN 0.188 nan 8.210 nan 0.000 0.413 107 F N 1.676 121.670 119.950 0.074 0.000 2.126 107 F HA -0.283 4.288 4.527 0.073 0.000 0.299 107 F C 2.536 178.416 175.800 0.135 0.000 1.096 107 F CA 2.171 60.221 58.000 0.084 0.000 1.255 107 F CB -0.448 38.592 39.000 0.067 0.000 0.997 107 F HN -0.054 nan 8.300 nan 0.000 0.479 108 T N 1.140 115.920 114.554 0.376 0.000 2.777 108 T HA -0.177 4.218 4.350 0.074 0.000 0.266 108 T C 1.806 176.682 174.700 0.292 0.000 1.040 108 T CA 1.400 63.715 62.100 0.358 0.000 1.141 108 T CB -0.530 68.592 68.868 0.424 0.000 0.868 108 T HN 0.237 nan 8.240 nan 0.000 0.444 109 L N 1.028 122.351 121.223 0.167 0.000 2.017 109 L HA 0.037 4.422 4.340 0.074 0.000 0.208 109 L C 2.598 179.483 176.870 0.026 0.000 1.073 109 L CA 1.710 56.596 54.840 0.077 0.000 0.745 109 L CB -1.032 40.926 42.059 -0.168 0.000 0.894 109 L HN 0.148 nan 8.230 nan 0.000 0.432 110 S N -1.810 113.860 115.700 -0.049 0.000 2.368 110 S HA -0.278 4.237 4.470 0.074 0.000 0.225 110 S C 2.078 176.597 174.600 -0.134 0.000 1.030 110 S CA 1.413 59.549 58.200 -0.106 0.000 0.999 110 S CB -0.647 62.471 63.200 -0.137 0.000 0.844 110 S HN 0.658 nan 8.310 nan 0.000 0.459 111 Y N 0.730 120.845 120.300 -0.308 0.000 2.128 111 Y HA -0.194 4.399 4.550 0.071 0.000 0.284 111 Y C 1.839 177.556 175.900 -0.305 0.000 1.154 111 Y CA 1.953 59.831 58.100 -0.371 0.000 1.149 111 Y CB -0.828 37.355 38.460 -0.461 0.000 0.976 111 Y HN 0.357 nan 8.280 nan 0.000 0.505 112 Y N -0.087 120.089 120.300 -0.206 0.000 2.293 112 Y HA -0.116 4.478 4.550 0.073 0.000 0.291 112 Y C 2.651 178.425 175.900 -0.209 0.000 1.137 112 Y CA 1.194 59.147 58.100 -0.245 0.000 1.202 112 Y CB -0.861 37.573 38.460 -0.042 0.000 0.990 112 Y HN 0.282 nan 8.280 nan 0.000 0.537 113 A N 0.165 122.959 122.820 -0.043 0.000 1.902 113 A HA -0.204 4.161 4.320 0.074 0.000 0.217 113 A C 2.193 179.699 177.584 -0.130 0.000 1.181 113 A CA 1.793 53.790 52.037 -0.066 0.000 0.623 113 A CB -0.413 18.544 19.000 -0.070 0.000 0.818 113 A HN 0.381 nan 8.150 nan 0.000 0.443 114 K N -1.036 119.242 120.400 -0.203 0.000 2.025 114 K HA -0.047 4.318 4.320 0.074 0.000 0.207 114 K C 1.938 178.376 176.600 -0.270 0.000 1.049 114 K CA 1.233 57.389 56.287 -0.218 0.000 0.933 114 K CB -0.378 31.990 32.500 -0.219 0.000 0.714 114 K HN 0.347 nan 8.250 nan 0.000 0.438 115 L N 1.087 122.048 121.223 -0.436 0.000 2.042 115 L HA -0.102 4.282 4.340 0.074 0.000 0.210 115 L C 2.158 178.871 176.870 -0.261 0.000 1.076 115 L CA 1.966 56.539 54.840 -0.445 0.000 0.749 115 L CB -0.979 40.629 42.059 -0.751 0.000 0.893 115 L HN 0.238 nan 8.230 nan 0.000 0.432 116 G N -1.313 107.388 108.800 -0.165 0.000 2.442 116 G HA2 -0.271 3.734 3.960 0.074 0.000 0.219 116 G HA3 -0.271 3.734 3.960 0.074 0.000 0.219 116 G C 1.627 176.483 174.900 -0.072 0.000 1.141 116 G CA 0.791 45.857 45.100 -0.058 0.000 0.763 116 G HN 0.628 nan 8.290 nan 0.000 0.554 117 A N 1.275 124.035 122.820 -0.100 0.000 1.940 117 A HA -0.066 4.299 4.320 0.074 0.000 0.219 117 A C 2.665 180.172 177.584 -0.129 0.000 1.176 117 A CA 2.505 54.482 52.037 -0.100 0.000 0.631 117 A CB -0.730 18.212 19.000 -0.098 0.000 0.814 117 A HN 0.853 nan 8.150 nan 0.000 0.446 118 S N -0.595 115.016 115.700 -0.148 0.000 2.555 118 S HA 0.092 4.606 4.470 0.074 0.000 0.230 118 S C 1.507 176.016 174.600 -0.151 0.000 0.978 118 S CA 0.886 58.999 58.200 -0.144 0.000 0.934 118 S CB -0.520 62.587 63.200 -0.154 0.000 0.766 118 S HN 0.471 nan 8.310 nan 0.000 0.533 119 L N 0.863 121.979 121.223 -0.179 0.000 2.418 119 L HA 0.301 4.686 4.340 0.074 0.000 0.218 119 L C 1.610 178.335 176.870 -0.243 0.000 1.125 119 L CA 0.355 55.082 54.840 -0.189 0.000 0.835 119 L CB -1.147 40.764 42.059 -0.247 0.000 0.953 119 L HN 0.660 nan 8.230 nan 0.000 0.454 120 G N 0.637 109.252 108.800 -0.307 0.000 2.725 120 G HA2 -0.208 3.796 3.960 0.074 0.000 0.220 120 G HA3 -0.208 3.796 3.960 0.074 0.000 0.220 120 G C -0.237 174.559 174.900 -0.174 0.000 1.357 120 G CA -0.718 44.138 45.100 -0.407 0.000 0.866 120 G HN 0.166 nan 8.290 nan 0.000 0.548 121 E N 0.581 120.677 120.200 -0.174 0.000 2.280 121 E HA 0.399 4.793 4.350 0.074 0.000 0.279 121 E C 0.704 177.237 176.600 -0.112 0.000 1.325 121 E CA 0.459 56.787 56.400 -0.119 0.000 1.486 121 E CB 0.373 30.018 29.700 -0.092 0.000 1.466 121 E HN 1.272 nan 8.360 nan 0.000 0.473 122 V N -2.257 117.600 119.914 -0.095 0.000 3.182 122 V HA 0.436 4.601 4.120 0.074 0.000 0.308 122 V C -0.024 175.995 176.094 -0.124 0.000 1.240 122 V CA -0.863 61.409 62.300 -0.047 0.000 1.063 122 V CB 1.979 33.875 31.823 0.122 0.000 1.076 122 V HN 0.260 nan 8.190 nan 0.000 0.446 123 H N 0.384 119.581 119.070 0.212 0.000 2.893 123 H HA 0.849 5.449 4.556 0.073 0.000 0.270 123 H C 0.393 175.907 175.328 0.309 0.000 1.095 123 H CA 0.726 56.868 56.048 0.157 0.000 1.186 123 H CB 1.123 30.913 29.762 0.047 0.000 1.562 123 H HN 1.088 nan 8.280 nan 0.000 0.536 124 A N 0.846 123.945 122.820 0.465 0.000 2.539 124 A HA 0.623 4.988 4.320 0.074 0.000 0.296 124 A C -1.364 176.392 177.584 0.287 0.000 1.073 124 A CA -0.714 51.566 52.037 0.405 0.000 0.700 124 A CB 1.283 20.433 19.000 0.249 0.000 1.296 124 A HN 0.153 nan 8.150 nan 0.000 0.405 125 L N 1.181 122.518 121.223 0.191 0.000 2.334 125 L HA 0.588 4.973 4.340 0.074 0.000 0.275 125 L C 0.718 177.641 176.870 0.088 0.000 1.036 125 L CA -0.723 54.176 54.840 0.099 0.000 0.807 125 L CB 1.486 43.574 42.059 0.048 0.000 1.231 125 L HN 0.830 nan 8.230 nan 0.000 0.438 126 R N 1.519 122.082 120.500 0.105 0.000 2.234 126 R HA 0.129 4.514 4.340 0.074 0.000 0.324 126 R C -0.984 175.168 176.300 -0.247 0.000 1.054 126 R CA -0.415 55.678 56.100 -0.012 0.000 0.912 126 R CB 0.672 30.985 30.300 0.021 0.000 1.030 126 R HN 0.607 nan 8.270 nan 0.000 0.455 127 D N 3.866 124.113 120.400 -0.254 0.000 2.443 127 D HA 0.346 5.031 4.640 0.074 0.000 0.221 127 D C 0.465 176.581 176.300 -0.306 0.000 1.097 127 D CA 0.802 54.553 54.000 -0.415 0.000 0.865 127 D CB 0.873 41.514 40.800 -0.265 0.000 1.034 127 D HN 0.793 nan 8.370 nan 0.000 0.511 128 G N 2.755 111.315 108.800 -0.401 0.000 2.601 128 G HA2 -0.194 3.811 3.960 0.074 0.000 0.261 128 G HA3 -0.194 3.811 3.960 0.074 0.000 0.261 128 G C -0.216 174.604 174.900 -0.133 0.000 1.289 128 G CA -0.117 44.841 45.100 -0.236 0.000 0.920 128 G HN 0.638 nan 8.290 nan 0.000 0.571 129 S N -0.702 114.953 115.700 -0.075 0.000 2.677 129 S HA 0.819 5.334 4.470 0.074 0.000 0.304 129 S C 0.677 175.265 174.600 -0.020 0.000 1.108 129 S CA 0.220 58.393 58.200 -0.044 0.000 0.944 129 S CB 1.641 64.818 63.200 -0.039 0.000 1.127 129 S HN 1.978 nan 8.310 nan 0.000 0.511 130 A N 1.216 124.020 122.820 -0.027 0.000 2.483 130 A HA 0.371 4.736 4.320 0.074 0.000 0.238 130 A C -0.032 177.537 177.584 -0.025 0.000 1.070 130 A CA 0.212 52.228 52.037 -0.035 0.000 0.770 130 A CB 0.020 18.991 19.000 -0.048 0.000 1.008 130 A HN 0.717 nan 8.150 nan 0.000 0.497 131 E N 1.066 121.249 120.200 -0.029 0.000 2.234 131 E HA 0.311 4.705 4.350 0.074 0.000 0.266 131 E C -0.861 175.723 176.600 -0.027 0.000 0.877 131 E CA -0.464 55.927 56.400 -0.015 0.000 0.758 131 E CB 1.909 31.615 29.700 0.010 0.000 1.170 131 E HN 0.612 nan 8.360 nan 0.000 0.415 132 S N 2.913 118.607 115.700 -0.009 0.000 2.533 132 S HA 0.144 4.659 4.470 0.074 0.000 0.282 132 S C 0.637 175.254 174.600 0.029 0.000 1.304 132 S CA -0.161 58.041 58.200 0.004 0.000 1.063 132 S CB 0.221 63.430 63.200 0.015 0.000 0.881 132 S HN 0.499 nan 8.310 nan 0.000 0.493 133 L N 3.956 125.217 121.223 0.063 0.000 2.857 133 L HA 0.287 4.672 4.340 0.074 0.000 0.249 133 L C 0.005 176.975 176.870 0.167 0.000 1.172 133 L CA -0.224 54.697 54.840 0.136 0.000 0.980 133 L CB 0.177 42.376 42.059 0.233 0.000 1.299 133 L HN 0.706 nan 8.230 nan 0.000 0.535 134 S N -2.607 113.166 115.700 0.123 0.000 2.541 134 S HA 0.301 4.816 4.470 0.074 0.000 0.271 134 S C 0.183 174.819 174.600 0.060 0.000 1.133 134 S CA -0.888 57.372 58.200 0.099 0.000 0.876 134 S CB 2.524 65.806 63.200 0.137 0.000 1.105 134 S HN -0.019 nan 8.310 nan 0.000 0.470 135 K N 1.202 121.627 120.400 0.041 0.000 2.103 135 K HA -0.147 4.218 4.320 0.074 0.000 0.207 135 K C 1.156 177.772 176.600 0.027 0.000 1.048 135 K CA 2.338 58.642 56.287 0.028 0.000 0.930 135 K CB -0.261 32.251 32.500 0.019 0.000 0.716 135 K HN 0.787 nan 8.250 nan 0.000 0.444 136 D N -0.681 119.738 120.400 0.032 0.000 2.339 136 D HA -0.035 4.650 4.640 0.074 0.000 0.217 136 D C -0.268 176.053 176.300 0.035 0.000 1.050 136 D CA 0.025 54.043 54.000 0.029 0.000 0.856 136 D CB -0.050 40.765 40.800 0.026 0.000 0.922 136 D HN 0.239 nan 8.370 nan 0.000 0.518 137 R N -0.581 119.945 120.500 0.044 0.000 3.953 137 R HA -0.197 4.187 4.340 0.074 0.000 0.340 137 R C 1.194 177.526 176.300 0.053 0.000 1.195 137 R CA 0.953 57.078 56.100 0.042 0.000 0.929 137 R CB -2.847 27.467 30.300 0.023 0.000 1.402 137 R HN 0.437 nan 8.270 nan 0.000 0.540 138 S N -0.531 115.218 115.700 0.081 0.000 2.436 138 S HA 0.012 4.526 4.470 0.074 0.000 0.228 138 S C 0.435 175.137 174.600 0.170 0.000 1.014 138 S CA 0.382 58.642 58.200 0.100 0.000 0.950 138 S CB 0.156 63.410 63.200 0.090 0.000 0.784 138 S HN 0.319 nan 8.310 nan 0.000 0.504 139 F N 1.511 121.457 119.950 -0.006 0.000 2.518 139 F HA 0.724 5.296 4.527 0.075 0.000 0.323 139 F C -0.414 175.379 175.800 -0.011 0.000 1.129 139 F CA -0.703 57.291 58.000 -0.009 0.000 0.920 139 F CB 2.084 41.079 39.000 -0.009 0.000 1.160 139 F HN -0.008 nan 8.300 nan 0.000 0.440 140 S N 2.524 117.928 115.700 -0.493 0.000 2.651 140 S HA 0.918 5.432 4.470 0.074 0.000 0.279 140 S C -1.397 172.934 174.600 -0.449 0.000 1.148 140 S CA -0.661 57.341 58.200 -0.330 0.000 0.837 140 S CB 1.816 64.913 63.200 -0.171 0.000 1.138 140 S HN 0.838 nan 8.310 nan 0.000 0.478 141 A N 1.298 123.957 122.820 -0.267 0.000 2.355 141 A HA 0.821 5.186 4.320 0.074 0.000 0.317 141 A C -1.064 176.405 177.584 -0.191 0.000 1.094 141 A CA -0.526 51.353 52.037 -0.263 0.000 0.764 141 A CB 1.528 20.396 19.000 -0.219 0.000 1.230 141 A HN 0.526 nan 8.150 nan 0.000 0.448 142 Q N 1.321 120.986 119.800 -0.224 0.000 2.304 142 Q HA 0.509 4.894 4.340 0.074 0.000 0.270 142 Q C -1.517 174.359 176.000 -0.207 0.000 1.035 142 Q CA -0.269 55.449 55.803 -0.141 0.000 0.781 142 Q CB 0.806 29.486 28.738 -0.096 0.000 1.261 142 Q HN 0.834 nan 8.270 nan 0.000 0.444 143 H N 0.863 119.884 119.070 -0.082 0.000 2.511 143 H HA 0.619 5.220 4.556 0.076 0.000 0.346 143 H C -0.146 175.137 175.328 -0.074 0.000 1.128 143 H CA 0.021 56.024 56.048 -0.074 0.000 1.342 143 H CB 1.255 30.963 29.762 -0.090 0.000 1.470 143 H HN 0.496 nan 8.280 nan 0.000 0.546 144 V N 0.964 120.914 119.914 0.060 0.000 3.040 144 V HA 0.550 4.715 4.120 0.074 0.000 0.312 144 V C -0.887 175.245 176.094 0.064 0.000 1.115 144 V CA -1.163 61.163 62.300 0.043 0.000 0.998 144 V CB 2.091 33.945 31.823 0.052 0.000 1.042 144 V HN 0.551 nan 8.190 nan 0.000 0.433 145 L N 2.278 123.544 121.223 0.071 0.000 2.313 145 L HA 0.724 5.109 4.340 0.074 0.000 0.283 145 L C -0.091 176.971 176.870 0.321 0.000 1.013 145 L CA -0.224 54.698 54.840 0.138 0.000 0.816 145 L CB 1.907 43.928 42.059 -0.063 0.000 1.236 145 L HN 0.824 nan 8.230 nan 0.000 0.419 146 S N 3.074 118.994 115.700 0.366 0.000 2.500 146 S HA 0.519 5.034 4.470 0.074 0.000 0.301 146 S C -2.570 172.174 174.600 0.239 0.000 1.092 146 S CA -1.378 57.013 58.200 0.318 0.000 1.030 146 S CB 2.078 65.367 63.200 0.147 0.000 1.031 146 S HN 0.333 nan 8.310 nan 0.000 0.483 147 P HA 0.061 nan 4.420 nan 0.000 0.265 147 P C -0.082 177.157 177.300 -0.102 0.000 1.193 147 P CA 0.045 63.011 63.100 -0.222 0.000 0.765 147 P CB 0.199 31.791 31.700 -0.181 0.000 0.823 148 T N 3.600 118.102 114.554 -0.087 0.000 2.916 148 T HA 0.065 4.460 4.350 0.074 0.000 0.303 148 T C 0.582 175.246 174.700 -0.059 0.000 1.025 148 T CA -0.290 61.789 62.100 -0.036 0.000 1.142 148 T CB -0.169 68.714 68.868 0.025 0.000 0.947 148 T HN 0.226 nan 8.240 nan 0.000 0.544 149 R N 3.736 124.169 120.500 -0.111 0.000 4.496 149 R HA 0.384 4.768 4.340 0.074 0.000 0.211 149 R C 0.759 177.057 176.300 -0.003 0.000 1.738 149 R CA -0.403 55.630 56.100 -0.112 0.000 1.528 149 R CB -0.070 30.101 30.300 -0.216 0.000 1.414 149 R HN 0.728 nan 8.270 nan 0.000 0.812 150 G N -0.341 108.474 108.800 0.026 0.000 2.975 150 G HA2 0.501 4.505 3.960 0.074 0.000 0.291 150 G HA3 0.501 4.505 3.960 0.074 0.000 0.291 150 G C -0.825 174.082 174.900 0.012 0.000 1.334 150 G CA -0.459 44.681 45.100 0.067 0.000 0.843 150 G HN 0.136 nan 8.290 nan 0.000 0.548 151 V N -2.809 117.116 119.914 0.019 0.000 2.881 151 V HA 0.905 5.070 4.120 0.074 0.000 0.316 151 V C 0.138 176.212 176.094 -0.033 0.000 1.070 151 V CA -0.705 61.566 62.300 -0.048 0.000 0.976 151 V CB 1.418 33.182 31.823 -0.098 0.000 1.038 151 V HN 1.607 nan 8.190 nan 0.000 0.446 152 A N 3.514 126.261 122.820 -0.122 0.000 2.256 152 A HA 0.753 5.118 4.320 0.074 0.000 0.317 152 A C -0.801 176.510 177.584 -0.455 0.000 1.318 152 A CA -0.451 51.493 52.037 -0.155 0.000 0.894 152 A CB 0.672 19.624 19.000 -0.081 0.000 1.165 152 A HN 1.240 nan 8.150 nan 0.000 0.525 153 L N 3.891 125.005 121.223 -0.182 0.000 2.265 153 L HA 0.704 5.088 4.340 0.074 0.000 0.289 153 L C -1.597 175.314 176.870 0.067 0.000 1.033 153 L CA -0.429 54.335 54.840 -0.126 0.000 0.814 153 L CB 0.169 42.297 42.059 0.116 0.000 1.203 153 L HN 0.478 nan 8.230 nan 0.000 0.423 154 F N 6.333 126.338 119.950 0.092 0.000 2.388 154 F HA 0.466 5.033 4.527 0.066 0.000 0.358 154 F C 0.195 176.039 175.800 0.074 0.000 1.122 154 F CA -1.116 56.928 58.000 0.073 0.000 1.056 154 F CB 0.789 39.788 39.000 -0.003 0.000 1.155 154 F HN 0.258 nan 8.300 nan 0.000 0.461 155 I N 4.805 125.559 120.570 0.306 0.000 2.337 155 I HA 0.250 4.465 4.170 0.074 0.000 0.285 155 I C -0.406 175.758 176.117 0.079 0.000 1.041 155 I CA -0.387 61.058 61.300 0.241 0.000 1.199 155 I CB 0.270 38.505 38.000 0.392 0.000 1.370 155 I HN 0.427 nan 8.210 nan 0.000 0.470 156 N N 4.185 122.911 118.700 0.044 0.000 2.466 156 N HA 0.630 5.415 4.740 0.074 0.000 0.294 156 N C -0.178 175.293 175.510 -0.066 0.000 1.129 156 N CA -0.483 52.537 53.050 -0.049 0.000 0.931 156 N CB 1.820 40.297 38.487 -0.017 0.000 1.193 156 N HN 0.568 nan 8.380 nan 0.000 0.500 157 A N 0.381 123.128 122.820 -0.123 0.000 2.287 157 A HA 0.342 4.707 4.320 0.074 0.000 0.273 157 A C 0.744 178.285 177.584 -0.071 0.000 1.091 157 A CA -0.416 51.515 52.037 -0.177 0.000 0.817 157 A CB -0.236 18.584 19.000 -0.300 0.000 1.069 157 A HN 0.722 nan 8.150 nan 0.000 0.492 158 F N 1.132 121.093 119.950 0.020 0.000 2.407 158 F HA -0.063 4.511 4.527 0.078 0.000 0.299 158 F C 1.645 177.466 175.800 0.035 0.000 1.097 158 F CA 0.920 58.944 58.000 0.039 0.000 1.422 158 F CB -0.856 38.167 39.000 0.037 0.000 1.067 158 F HN 0.539 nan 8.300 nan 0.000 0.539 159 N N 0.598 119.161 118.700 -0.228 0.000 2.270 159 N HA -0.150 4.635 4.740 0.074 0.000 0.181 159 N C -0.157 175.159 175.510 -0.323 0.000 1.016 159 N CA 0.906 53.848 53.050 -0.180 0.000 0.870 159 N CB -0.824 37.466 38.487 -0.329 0.000 0.979 159 N HN 0.347 nan 8.380 nan 0.000 0.431 160 F N 0.675 120.689 119.950 0.107 0.000 2.622 160 F HA 0.439 5.011 4.527 0.075 0.000 0.338 160 F C -1.708 174.162 175.800 0.116 0.000 1.334 160 F CA -2.391 55.703 58.000 0.156 0.000 1.179 160 F CB 1.798 40.989 39.000 0.318 0.000 1.471 160 F HN -0.134 nan 8.300 nan 0.000 0.576 161 P HA -0.172 nan 4.420 nan 0.000 0.218 161 P C 1.786 179.127 177.300 0.067 0.000 1.148 161 P CA 1.345 64.517 63.100 0.119 0.000 0.822 161 P CB 0.505 32.260 31.700 0.093 0.000 0.784 162 S N -1.722 114.059 115.700 0.135 0.000 2.355 162 S HA -0.070 4.445 4.470 0.074 0.000 0.216 162 S C 1.837 176.554 174.600 0.194 0.000 1.037 162 S CA 0.376 58.652 58.200 0.127 0.000 0.955 162 S CB -1.234 62.062 63.200 0.160 0.000 0.877 162 S HN 0.133 nan 8.310 nan 0.000 0.488 163 W N 2.359 123.725 121.300 0.111 0.000 2.363 163 W HA 0.078 4.783 4.660 0.074 0.000 0.296 163 W C 2.108 178.582 176.519 -0.076 0.000 1.212 163 W CA 1.432 58.778 57.345 0.003 0.000 1.260 163 W CB -0.860 28.454 29.460 -0.244 0.000 1.131 163 W HN 0.400 nan 8.180 nan 0.000 0.530 164 G N 0.922 109.708 108.800 -0.023 0.000 2.422 164 G HA2 -0.298 3.707 3.960 0.074 0.000 0.218 164 G HA3 -0.298 3.707 3.960 0.074 0.000 0.218 164 G C 1.331 175.959 174.900 -0.453 0.000 1.146 164 G CA 1.175 46.097 45.100 -0.296 0.000 0.769 164 G HN 0.364 nan 8.290 nan 0.000 0.547 165 L N -0.788 120.199 121.223 -0.394 0.000 1.988 165 L HA 0.141 4.526 4.340 0.074 0.000 0.207 165 L C 2.526 179.008 176.870 -0.647 0.000 1.071 165 L CA 1.600 56.106 54.840 -0.556 0.000 0.744 165 L CB -0.743 40.873 42.059 -0.739 0.000 0.893 165 L HN 0.385 nan 8.230 nan 0.000 0.433 166 W N -0.010 121.151 121.300 -0.231 0.000 2.436 166 W HA -0.059 4.645 4.660 0.073 0.000 0.284 166 W C 2.570 178.887 176.519 -0.336 0.000 1.225 166 W CA 0.714 57.935 57.345 -0.207 0.000 1.271 166 W CB -0.232 29.168 29.460 -0.099 0.000 1.114 166 W HN 0.262 nan 8.180 nan 0.000 0.559 167 E N 1.608 121.536 120.200 -0.453 0.000 2.160 167 E HA -0.226 4.168 4.350 0.074 0.000 0.195 167 E C 1.460 177.762 176.600 -0.496 0.000 0.991 167 E CA 1.478 57.493 56.400 -0.643 0.000 0.810 167 E CB 0.003 28.765 29.700 -1.562 0.000 0.742 167 E HN 0.356 nan 8.360 nan 0.000 0.466 168 K N -0.597 119.445 120.400 -0.595 0.000 2.214 168 K HA 0.160 4.525 4.320 0.074 0.000 0.201 168 K C 2.176 178.545 176.600 -0.385 0.000 1.049 168 K CA 0.622 56.486 56.287 -0.705 0.000 0.978 168 K CB 0.034 31.600 32.500 -1.556 0.000 0.842 168 K HN 0.039 nan 8.250 nan 0.000 0.474 169 A N 1.675 124.371 122.820 -0.207 0.000 1.969 169 A HA -0.028 4.337 4.320 0.074 0.000 0.218 169 A C 2.299 179.914 177.584 0.053 0.000 1.169 169 A CA 1.629 53.741 52.037 0.125 0.000 0.635 169 A CB -0.508 18.539 19.000 0.078 0.000 0.810 169 A HN 0.299 nan 8.150 nan 0.000 0.445 170 A N 0.694 123.516 122.820 0.004 0.000 1.845 170 A HA -0.036 4.329 4.320 0.074 0.000 0.215 170 A C 0.403 177.845 177.584 -0.238 0.000 1.195 170 A CA 1.690 53.699 52.037 -0.047 0.000 0.616 170 A CB -1.499 17.494 19.000 -0.012 0.000 0.832 170 A HN 0.487 nan 8.150 nan 0.000 0.443 171 P HA -0.081 nan 4.420 nan 0.000 0.219 171 P C 1.580 178.640 177.300 -0.401 0.000 1.150 171 P CA 1.802 64.681 63.100 -0.368 0.000 0.814 171 P CB -0.151 31.366 31.700 -0.305 0.000 0.787 172 A N 0.708 123.139 122.820 -0.649 0.000 1.851 172 A HA -0.161 4.204 4.320 0.074 0.000 0.216 172 A C 2.440 179.767 177.584 -0.428 0.000 1.195 172 A CA 1.654 53.078 52.037 -1.022 0.000 0.622 172 A CB -1.660 17.070 19.000 -0.450 0.000 0.831 172 A HN 0.122 nan 8.150 nan 0.000 0.444 173 L N -1.121 119.985 121.223 -0.196 0.000 2.083 173 L HA -0.157 4.227 4.340 0.074 0.000 0.209 173 L C 2.549 179.375 176.870 -0.075 0.000 1.083 173 L CA 0.976 55.758 54.840 -0.097 0.000 0.752 173 L CB -0.544 41.510 42.059 -0.009 0.000 0.899 173 L HN 0.445 nan 8.230 nan 0.000 0.433 174 L N -0.370 120.828 121.223 -0.041 0.000 2.042 174 L HA -0.200 4.185 4.340 0.074 0.000 0.210 174 L C 2.433 179.376 176.870 0.121 0.000 1.076 174 L CA 1.804 56.679 54.840 0.059 0.000 0.749 174 L CB -0.545 41.586 42.059 0.120 0.000 0.893 174 L HN 0.087 nan 8.230 nan 0.000 0.432 175 S N -0.217 115.541 115.700 0.097 0.000 2.555 175 S HA 0.188 4.703 4.470 0.074 0.000 0.230 175 S C 1.337 175.862 174.600 -0.125 0.000 0.978 175 S CA 0.699 58.996 58.200 0.162 0.000 0.934 175 S CB -0.484 62.799 63.200 0.138 0.000 0.766 175 S HN 0.821 nan 8.310 nan 0.000 0.533 176 G N 0.775 109.478 108.800 -0.163 0.000 2.137 176 G HA2 -0.223 3.781 3.960 0.074 0.000 0.237 176 G HA3 -0.223 3.781 3.960 0.074 0.000 0.237 176 G C -0.071 174.738 174.900 -0.152 0.000 1.002 176 G CA -0.016 44.976 45.100 -0.181 0.000 0.702 176 G HN 0.413 nan 8.290 nan 0.000 0.515 177 V N 2.407 122.227 119.914 -0.157 0.000 2.370 177 V HA 0.526 4.691 4.120 0.074 0.000 0.283 177 V C -1.449 174.562 176.094 -0.137 0.000 1.023 177 V CA -1.709 60.516 62.300 -0.125 0.000 0.857 177 V CB 1.873 33.662 31.823 -0.057 0.000 0.985 177 V HN 0.216 nan 8.190 nan 0.000 0.443 178 P HA 0.203 nan 4.420 nan 0.000 0.271 178 P C -0.757 176.425 177.300 -0.197 0.000 1.218 178 P CA -0.013 63.002 63.100 -0.141 0.000 0.780 178 P CB 1.418 33.035 31.700 -0.137 0.000 0.901 179 V N 4.847 124.631 119.914 -0.217 0.000 2.459 179 V HA 0.372 4.536 4.120 0.074 0.000 0.295 179 V C 0.495 176.386 176.094 -0.340 0.000 1.029 179 V CA -0.561 61.524 62.300 -0.358 0.000 0.874 179 V CB 1.346 33.016 31.823 -0.255 0.000 0.985 179 V HN 0.378 nan 8.190 nan 0.000 0.438 180 I N 5.200 125.502 120.570 -0.447 0.000 2.382 180 I HA 0.438 4.653 4.170 0.074 0.000 0.286 180 I C -0.451 175.496 176.117 -0.285 0.000 1.002 180 I CA -0.664 60.426 61.300 -0.351 0.000 1.135 180 I CB 1.887 39.606 38.000 -0.468 0.000 1.288 180 I HN 0.367 nan 8.210 nan 0.000 0.448 181 V N 7.440 127.270 119.914 -0.141 0.000 2.472 181 V HA 0.457 4.622 4.120 0.074 0.000 0.290 181 V C -0.286 175.826 176.094 0.030 0.000 1.037 181 V CA -0.309 61.988 62.300 -0.005 0.000 0.908 181 V CB 1.654 33.500 31.823 0.037 0.000 0.985 181 V HN 0.628 nan 8.190 nan 0.000 0.454 182 K N 8.371 128.822 120.400 0.085 0.000 2.592 182 K HA 0.474 4.839 4.320 0.074 0.000 0.212 182 K C -2.817 173.847 176.600 0.107 0.000 1.013 182 K CA -2.046 54.299 56.287 0.097 0.000 1.034 182 K CB 1.738 34.308 32.500 0.117 0.000 1.292 182 K HN 0.517 nan 8.250 nan 0.000 0.521 183 P HA 0.085 nan 4.420 nan 0.000 0.274 183 P C -0.405 176.963 177.300 0.113 0.000 1.231 183 P CA -0.383 62.773 63.100 0.094 0.000 0.790 183 P CB 0.726 32.483 31.700 0.094 0.000 0.951 184 A N 2.505 125.399 122.820 0.123 0.000 2.540 184 A HA 0.088 4.453 4.320 0.074 0.000 0.239 184 A C 1.713 179.384 177.584 0.145 0.000 1.061 184 A CA 0.404 52.531 52.037 0.151 0.000 0.758 184 A CB -0.912 18.214 19.000 0.210 0.000 0.991 184 A HN 0.599 nan 8.150 nan 0.000 0.502 185 T N 2.767 117.395 114.554 0.125 0.000 2.684 185 T HA -0.170 4.225 4.350 0.074 0.000 0.267 185 T C 2.263 177.022 174.700 0.098 0.000 1.036 185 T CA 2.176 64.337 62.100 0.102 0.000 1.148 185 T CB -0.372 68.543 68.868 0.079 0.000 0.863 185 T HN 0.950 nan 8.240 nan 0.000 0.436 186 A N 1.303 124.174 122.820 0.086 0.000 1.978 186 A HA -0.103 4.261 4.320 0.074 0.000 0.220 186 A C 2.186 179.821 177.584 0.085 0.000 1.170 186 A CA 2.056 54.123 52.037 0.050 0.000 0.636 186 A CB -0.688 18.295 19.000 -0.029 0.000 0.810 186 A HN 0.619 nan 8.150 nan 0.000 0.448 187 T N -4.663 109.971 114.554 0.133 0.000 3.296 187 T HA 0.610 5.005 4.350 0.074 0.000 0.285 187 T C 1.053 175.862 174.700 0.181 0.000 1.014 187 T CA 0.534 62.728 62.100 0.157 0.000 0.920 187 T CB 0.459 69.429 68.868 0.169 0.000 1.143 187 T HN 0.467 nan 8.240 nan 0.000 0.522 188 A N 0.602 123.535 122.820 0.188 0.000 2.067 188 A HA 0.070 4.434 4.320 0.074 0.000 0.219 188 A C 1.842 179.609 177.584 0.305 0.000 1.158 188 A CA 0.567 52.724 52.037 0.200 0.000 0.661 188 A CB -1.106 17.994 19.000 0.167 0.000 0.801 188 A HN 0.848 nan 8.150 nan 0.000 0.452 189 W N -0.068 121.266 121.300 0.056 0.000 2.333 189 W HA -0.263 4.441 4.660 0.074 0.000 0.316 189 W C 1.751 178.304 176.519 0.056 0.000 1.215 189 W CA 1.336 58.715 57.345 0.056 0.000 1.278 189 W CB -0.091 29.401 29.460 0.053 0.000 1.154 189 W HN 0.361 nan 8.180 nan 0.000 0.486 190 L N 1.379 122.597 121.223 -0.007 0.000 2.017 190 L HA -0.192 4.192 4.340 0.074 0.000 0.208 190 L C 2.413 179.200 176.870 -0.138 0.000 1.073 190 L CA 2.791 57.497 54.840 -0.224 0.000 0.745 190 L CB -1.300 40.671 42.059 -0.147 0.000 0.894 190 L HN -0.127 nan 8.230 nan 0.000 0.432 191 T N -0.661 113.888 114.554 -0.007 0.000 2.665 191 T HA -0.264 4.130 4.350 0.074 0.000 0.268 191 T C 1.781 176.519 174.700 0.064 0.000 1.035 191 T CA 1.693 63.788 62.100 -0.008 0.000 1.151 191 T CB -0.335 68.546 68.868 0.022 0.000 0.862 191 T HN 0.419 nan 8.240 nan 0.000 0.438 192 Q N 0.778 120.702 119.800 0.206 0.000 2.079 192 Q HA -0.115 4.270 4.340 0.074 0.000 0.200 192 Q C 2.505 178.696 176.000 0.319 0.000 0.974 192 Q CA 1.448 57.449 55.803 0.330 0.000 0.840 192 Q CB -0.156 28.861 28.738 0.466 0.000 0.898 192 Q HN 0.281 nan 8.270 nan 0.000 0.430 193 R N 0.177 120.766 120.500 0.148 0.000 2.075 193 R HA -0.012 4.373 4.340 0.074 0.000 0.232 193 R C 2.336 178.685 176.300 0.081 0.000 1.126 193 R CA 1.733 57.823 56.100 -0.017 0.000 0.963 193 R CB -0.477 29.481 30.300 -0.571 0.000 0.858 193 R HN 0.278 nan 8.270 nan 0.000 0.435 194 M N -0.693 118.897 119.600 -0.018 0.000 2.086 194 M HA -0.170 4.355 4.480 0.074 0.000 0.261 194 M C 2.106 178.542 176.300 0.227 0.000 1.067 194 M CA 1.743 57.077 55.300 0.058 0.000 1.116 194 M CB -0.257 32.345 32.600 0.003 0.000 1.348 194 M HN -0.000 nan 8.290 nan 0.000 0.407 195 V N 0.509 120.533 119.914 0.183 0.000 2.287 195 V HA -0.304 3.861 4.120 0.074 0.000 0.248 195 V C 2.628 178.901 176.094 0.299 0.000 1.053 195 V CA 2.111 64.535 62.300 0.207 0.000 1.027 195 V CB -1.344 30.569 31.823 0.150 0.000 0.646 195 V HN 0.552 nan 8.190 nan 0.000 0.447 196 A N -0.124 122.917 122.820 0.369 0.000 1.908 196 A HA -0.273 4.092 4.320 0.074 0.000 0.218 196 A C 2.007 179.738 177.584 0.245 0.000 1.181 196 A CA 2.131 54.391 52.037 0.371 0.000 0.627 196 A CB -0.670 18.372 19.000 0.071 0.000 0.818 196 A HN 0.553 nan 8.150 nan 0.000 0.445 197 D N -0.333 120.193 120.400 0.210 0.000 2.117 197 D HA -0.102 4.583 4.640 0.074 0.000 0.197 197 D C 2.093 178.499 176.300 0.177 0.000 0.987 197 D CA 1.501 55.611 54.000 0.184 0.000 0.829 197 D CB -0.459 40.481 40.800 0.233 0.000 0.961 197 D HN 0.229 nan 8.370 nan 0.000 0.460 198 V N 0.625 120.664 119.914 0.209 0.000 2.307 198 V HA -0.180 3.984 4.120 0.074 0.000 0.245 198 V C 2.662 178.838 176.094 0.137 0.000 1.045 198 V CA 0.932 63.340 62.300 0.180 0.000 1.024 198 V CB -0.403 31.575 31.823 0.258 0.000 0.651 198 V HN 0.046 nan 8.190 nan 0.000 0.449 199 V N 0.270 120.266 119.914 0.137 0.000 2.295 199 V HA -0.260 3.904 4.120 0.074 0.000 0.246 199 V C 2.282 178.445 176.094 0.116 0.000 1.049 199 V CA 2.223 64.554 62.300 0.053 0.000 1.024 199 V CB -0.716 31.025 31.823 -0.136 0.000 0.648 199 V HN 0.544 nan 8.190 nan 0.000 0.447 200 D N 0.429 120.939 120.400 0.183 0.000 2.178 200 D HA -0.110 4.574 4.640 0.074 0.000 0.201 200 D C 2.111 178.473 176.300 0.104 0.000 0.980 200 D CA 1.544 55.636 54.000 0.154 0.000 0.842 200 D CB -0.256 40.614 40.800 0.115 0.000 0.948 200 D HN 0.467 nan 8.370 nan 0.000 0.472 201 A N -0.023 122.853 122.820 0.093 0.000 2.119 201 A HA 0.267 4.631 4.320 0.074 0.000 0.217 201 A C 1.864 179.485 177.584 0.060 0.000 1.153 201 A CA 1.289 53.367 52.037 0.069 0.000 0.692 201 A CB -0.461 18.577 19.000 0.064 0.000 0.799 201 A HN 0.264 nan 8.150 nan 0.000 0.458 202 G N -0.624 108.216 108.800 0.067 0.000 2.249 202 G HA2 -0.296 3.708 3.960 0.074 0.000 0.273 202 G HA3 -0.296 3.708 3.960 0.074 0.000 0.273 202 G C 0.692 175.619 174.900 0.046 0.000 1.036 202 G CA 0.616 45.751 45.100 0.057 0.000 0.824 202 G HN 0.483 nan 8.290 nan 0.000 0.504 203 I N -0.840 119.758 120.570 0.046 0.000 2.252 203 I HA 0.055 4.269 4.170 0.074 0.000 0.245 203 I C 1.653 177.788 176.117 0.031 0.000 1.102 203 I CA 0.983 62.304 61.300 0.034 0.000 1.385 203 I CB -0.125 37.895 38.000 0.033 0.000 1.064 203 I HN 0.201 nan 8.210 nan 0.000 0.414 204 L N 1.205 122.452 121.223 0.040 0.000 2.344 204 L HA 0.383 4.768 4.340 0.074 0.000 0.272 204 L C -2.127 174.762 176.870 0.033 0.000 1.035 204 L CA -2.069 52.791 54.840 0.033 0.000 0.807 204 L CB 0.471 42.556 42.059 0.044 0.000 1.237 204 L HN -0.140 nan 8.230 nan 0.000 0.442 205 P HA 0.182 nan 4.420 nan 0.000 0.272 205 P C -2.612 174.720 177.300 0.053 0.000 1.230 205 P CA -1.349 61.765 63.100 0.024 0.000 0.788 205 P CB -0.514 31.182 31.700 -0.008 0.000 0.949 206 P HA 0.067 nan 4.420 nan 0.000 0.262 206 P C 1.066 178.495 177.300 0.215 0.000 1.182 206 P CA 1.321 64.547 63.100 0.209 0.000 0.761 206 P CB -0.165 31.705 31.700 0.284 0.000 0.795 207 G N 2.501 111.502 108.800 0.336 0.000 2.199 207 G HA2 -0.327 3.677 3.960 0.074 0.000 0.254 207 G HA3 -0.327 3.677 3.960 0.074 0.000 0.254 207 G C 1.140 176.049 174.900 0.014 0.000 0.982 207 G CA 0.413 45.636 45.100 0.204 0.000 0.632 207 G HN 0.686 nan 8.290 nan 0.000 0.529 208 A N -1.062 121.764 122.820 0.009 0.000 1.968 208 A HA 0.578 4.942 4.320 0.074 0.000 0.217 208 A C 1.041 178.605 177.584 -0.032 0.000 1.169 208 A CA 1.893 53.912 52.037 -0.030 0.000 0.638 208 A CB 0.086 19.076 19.000 -0.018 0.000 0.812 208 A HN 1.429 nan 8.150 nan 0.000 0.446 209 L N -0.291 120.933 121.223 0.002 0.000 2.439 209 L HA 0.632 5.016 4.340 0.074 0.000 0.270 209 L C -0.998 175.872 176.870 0.001 0.000 0.972 209 L CA -0.040 54.790 54.840 -0.017 0.000 0.836 209 L CB 2.003 44.072 42.059 0.017 0.000 1.255 209 L HN -0.006 nan 8.230 nan 0.000 0.404 210 S N 5.032 120.698 115.700 -0.058 0.000 2.599 210 S HA 0.766 5.281 4.470 0.074 0.000 0.294 210 S C -1.134 173.423 174.600 -0.071 0.000 1.094 210 S CA -0.569 57.596 58.200 -0.060 0.000 0.931 210 S CB 2.031 65.146 63.200 -0.141 0.000 1.093 210 S HN 0.668 nan 8.310 nan 0.000 0.488 211 I N 1.996 122.545 120.570 -0.035 0.000 2.619 211 I HA 0.586 4.800 4.170 0.074 0.000 0.292 211 I C -1.963 174.174 176.117 0.032 0.000 1.100 211 I CA -0.959 60.350 61.300 0.014 0.000 1.043 211 I CB 1.103 39.158 38.000 0.093 0.000 1.239 211 I HN 0.616 nan 8.210 nan 0.000 0.420 212 I N 6.833 127.427 120.570 0.040 0.000 2.466 212 I HA 0.422 4.636 4.170 0.074 0.000 0.289 212 I C -1.024 175.144 176.117 0.085 0.000 1.026 212 I CA -0.408 60.928 61.300 0.062 0.000 1.078 212 I CB 1.743 39.775 38.000 0.054 0.000 1.249 212 I HN 0.495 nan 8.210 nan 0.000 0.429 213 C N 4.339 123.696 119.300 0.095 0.000 2.561 213 C HA 0.999 5.504 4.460 0.074 0.000 0.319 213 C C 0.758 175.794 174.990 0.077 0.000 1.198 213 C CA -0.192 58.883 59.018 0.094 0.000 1.665 213 C CB 0.694 28.498 27.740 0.107 0.000 2.258 213 C HN 1.133 nan 8.230 nan 0.000 0.493 214 G N 1.362 110.206 108.800 0.074 0.000 2.378 214 G HA2 0.082 4.087 3.960 0.074 0.000 0.198 214 G HA3 0.082 4.087 3.960 0.074 0.000 0.198 214 G C -0.230 174.709 174.900 0.065 0.000 1.223 214 G CA -0.035 45.101 45.100 0.061 0.000 1.088 214 G HN 1.220 nan 8.290 nan 0.000 0.530 215 S N -0.372 115.361 115.700 0.056 0.000 2.558 215 S HA 0.419 4.934 4.470 0.074 0.000 0.288 215 S C 1.493 176.131 174.600 0.064 0.000 1.318 215 S CA 0.919 59.153 58.200 0.056 0.000 1.056 215 S CB 0.684 63.910 63.200 0.043 0.000 0.853 215 S HN 1.322 nan 8.310 nan 0.000 0.505 216 S N 3.371 119.112 115.700 0.068 0.000 2.593 216 S HA 0.267 4.782 4.470 0.074 0.000 0.217 216 S C 0.755 175.385 174.600 0.049 0.000 0.966 216 S CA 0.142 58.386 58.200 0.073 0.000 0.914 216 S CB -0.237 63.014 63.200 0.085 0.000 0.776 216 S HN 0.935 nan 8.310 nan 0.000 0.523 217 A N 0.900 123.744 122.820 0.040 0.000 2.567 217 A HA 0.452 4.817 4.320 0.074 0.000 0.240 217 A C 1.542 179.133 177.584 0.011 0.000 1.053 217 A CA 0.629 52.681 52.037 0.024 0.000 0.755 217 A CB -0.650 18.364 19.000 0.024 0.000 0.978 217 A HN 0.892 nan 8.150 nan 0.000 0.507 218 G N 1.139 109.932 108.800 -0.011 0.000 2.241 218 G HA2 -0.283 3.721 3.960 0.074 0.000 0.244 218 G HA3 -0.283 3.721 3.960 0.074 0.000 0.244 218 G C 0.910 175.740 174.900 -0.116 0.000 0.998 218 G CA 0.549 45.621 45.100 -0.046 0.000 0.621 218 G HN 0.720 nan 8.290 nan 0.000 0.519 219 L N 0.199 121.376 121.223 -0.078 0.000 2.005 219 L HA 0.082 4.467 4.340 0.074 0.000 0.207 219 L C 2.981 179.679 176.870 -0.286 0.000 1.072 219 L CA 1.701 56.488 54.840 -0.088 0.000 0.744 219 L CB -0.582 41.541 42.059 0.107 0.000 0.895 219 L HN 0.298 nan 8.230 nan 0.000 0.433 220 L N -0.430 120.613 121.223 -0.300 0.000 2.131 220 L HA -0.216 4.168 4.340 0.074 0.000 0.210 220 L C 2.032 178.637 176.870 -0.442 0.000 1.092 220 L CA 0.786 55.303 54.840 -0.539 0.000 0.759 220 L CB -0.701 40.732 42.059 -1.044 0.000 0.903 220 L HN 0.292 nan 8.230 nan 0.000 0.435 221 D N -0.265 119.992 120.400 -0.238 0.000 2.265 221 D HA -0.168 4.516 4.640 0.074 0.000 0.208 221 D C 2.149 178.304 176.300 -0.242 0.000 0.977 221 D CA 0.928 54.873 54.000 -0.092 0.000 0.871 221 D CB 0.009 40.772 40.800 -0.063 0.000 0.925 221 D HN 0.325 nan 8.370 nan 0.000 0.485 222 Q N -0.334 119.174 119.800 -0.486 0.000 2.392 222 Q HA 0.088 4.473 4.340 0.074 0.000 0.203 222 Q C 0.561 176.231 176.000 -0.550 0.000 0.917 222 Q CA -0.073 55.319 55.803 -0.684 0.000 0.939 222 Q CB 1.009 28.901 28.738 -1.411 0.000 1.063 222 Q HN 0.284 nan 8.270 nan 0.000 0.516 223 I N 2.203 122.528 120.570 -0.409 0.000 2.556 223 I HA 0.063 4.278 4.170 0.074 0.000 0.284 223 I C 0.655 176.678 176.117 -0.157 0.000 1.114 223 I CA 0.460 61.644 61.300 -0.194 0.000 1.418 223 I CB 0.414 38.285 38.000 -0.215 0.000 1.394 223 I HN -0.034 nan 8.210 nan 0.000 0.552 224 R N 2.764 123.216 120.500 -0.080 0.000 2.960 224 R HA 0.305 4.690 4.340 0.074 0.000 0.249 224 R C 1.220 177.439 176.300 -0.134 0.000 1.192 224 R CA -0.475 55.567 56.100 -0.095 0.000 1.035 224 R CB 1.108 31.385 30.300 -0.038 0.000 1.234 224 R HN 0.649 nan 8.270 nan 0.000 0.493 225 S N -0.277 115.263 115.700 -0.266 0.000 2.469 225 S HA -0.082 4.433 4.470 0.074 0.000 0.238 225 S C 0.973 175.251 174.600 -0.536 0.000 0.998 225 S CA 1.163 59.087 58.200 -0.461 0.000 0.957 225 S CB -0.107 62.669 63.200 -0.706 0.000 0.764 225 S HN 0.501 nan 8.310 nan 0.000 0.514 226 F N 1.441 121.384 119.950 -0.010 0.000 2.678 226 F HA 0.451 5.019 4.527 0.068 0.000 0.305 226 F C 0.369 176.153 175.800 -0.027 0.000 1.090 226 F CA -1.352 56.637 58.000 -0.018 0.000 1.272 226 F CB -0.057 38.933 39.000 -0.017 0.000 1.060 226 F HN 0.049 nan 8.300 nan 0.000 0.576 227 D N 0.499 120.954 120.400 0.092 0.000 2.354 227 D HA 0.425 5.110 4.640 0.074 0.000 0.247 227 D C -0.004 176.311 176.300 0.024 0.000 1.138 227 D CA 0.113 54.154 54.000 0.067 0.000 0.958 227 D CB 2.003 42.852 40.800 0.083 0.000 1.144 227 D HN -0.050 nan 8.370 nan 0.000 0.458 228 V N -2.083 117.839 119.914 0.012 0.000 2.876 228 V HA 0.750 4.914 4.120 0.074 0.000 0.312 228 V C -0.697 175.516 176.094 0.199 0.000 1.085 228 V CA -0.804 61.473 62.300 -0.039 0.000 0.945 228 V CB 1.893 33.380 31.823 -0.561 0.000 1.017 228 V HN 0.218 nan 8.190 nan 0.000 0.428 229 V N 2.825 122.965 119.914 0.377 0.000 2.588 229 V HA 0.690 4.854 4.120 0.074 0.000 0.304 229 V C 0.012 176.411 176.094 0.508 0.000 1.042 229 V CA -0.171 62.395 62.300 0.443 0.000 0.877 229 V CB 1.810 33.935 31.823 0.502 0.000 0.996 229 V HN 1.103 nan 8.190 nan 0.000 0.425 230 S N 4.810 120.817 115.700 0.511 0.000 2.566 230 S HA 0.657 5.172 4.470 0.074 0.000 0.324 230 S C -1.157 173.610 174.600 0.279 0.000 1.081 230 S CA -0.417 57.982 58.200 0.331 0.000 1.105 230 S CB 0.335 63.689 63.200 0.257 0.000 0.981 230 S HN 0.573 nan 8.310 nan 0.000 0.464 231 F N 4.357 124.343 119.950 0.059 0.000 2.443 231 F HA 0.695 5.262 4.527 0.066 0.000 0.335 231 F C -0.322 175.476 175.800 -0.004 0.000 1.104 231 F CA -0.166 57.858 58.000 0.040 0.000 1.013 231 F CB 1.829 40.842 39.000 0.021 0.000 1.136 231 F HN 0.407 nan 8.300 nan 0.000 0.470 232 T N 4.706 118.665 114.554 -0.990 0.000 2.881 232 T HA 0.779 5.173 4.350 0.074 0.000 0.291 232 T C -0.129 173.874 174.700 -1.162 0.000 0.990 232 T CA -0.248 61.364 62.100 -0.813 0.000 0.976 232 T CB 1.159 69.823 68.868 -0.341 0.000 0.970 232 T HN 1.133 nan 8.240 nan 0.000 0.438 233 G N 1.984 110.289 108.800 -0.824 0.000 2.513 233 G HA2 0.403 4.408 3.960 0.074 0.000 0.182 233 G HA3 0.403 4.408 3.960 0.074 0.000 0.182 233 G C -0.620 174.251 174.900 -0.049 0.000 1.190 233 G CA -0.228 44.616 45.100 -0.427 0.000 0.987 233 G HN 1.012 nan 8.290 nan 0.000 0.479 234 S N 0.416 116.196 115.700 0.133 0.000 2.580 234 S HA 0.573 5.088 4.470 0.074 0.000 0.274 234 S C 1.691 176.402 174.600 0.184 0.000 1.329 234 S CA 0.908 59.173 58.200 0.108 0.000 1.036 234 S CB 1.532 64.777 63.200 0.075 0.000 0.919 234 S HN 2.087 nan 8.310 nan 0.000 0.515 235 A N 2.096 124.974 122.820 0.096 0.000 1.940 235 A HA -0.124 4.241 4.320 0.074 0.000 0.219 235 A C 1.797 179.402 177.584 0.035 0.000 1.176 235 A CA 1.788 53.866 52.037 0.069 0.000 0.631 235 A CB -0.989 18.035 19.000 0.040 0.000 0.814 235 A HN 0.897 nan 8.150 nan 0.000 0.446 236 D N -0.510 119.911 120.400 0.034 0.000 2.097 236 D HA -0.100 4.584 4.640 0.074 0.000 0.195 236 D C 2.024 178.314 176.300 -0.017 0.000 0.989 236 D CA 1.936 55.943 54.000 0.012 0.000 0.827 236 D CB -0.742 40.072 40.800 0.022 0.000 0.966 236 D HN 0.414 nan 8.370 nan 0.000 0.456 237 T N 0.808 115.362 114.554 0.000 0.000 2.777 237 T HA -0.080 4.315 4.350 0.074 0.000 0.266 237 T C 2.039 176.528 174.700 -0.351 0.000 1.040 237 T CA 1.381 63.426 62.100 -0.092 0.000 1.141 237 T CB -0.286 68.619 68.868 0.061 0.000 0.868 237 T HN 0.192 nan 8.240 nan 0.000 0.444 238 A N 1.597 124.201 122.820 -0.360 0.000 1.908 238 A HA 0.065 4.429 4.320 0.074 0.000 0.218 238 A C 2.645 180.073 177.584 -0.261 0.000 1.181 238 A CA 1.944 53.704 52.037 -0.462 0.000 0.627 238 A CB -1.123 17.816 19.000 -0.101 0.000 0.818 238 A HN 0.517 nan 8.150 nan 0.000 0.445 239 A N -1.184 121.554 122.820 -0.137 0.000 1.933 239 A HA -0.064 4.301 4.320 0.074 0.000 0.218 239 A C 2.291 179.834 177.584 -0.070 0.000 1.175 239 A CA 2.235 54.222 52.037 -0.083 0.000 0.628 239 A CB -1.209 17.765 19.000 -0.044 0.000 0.814 239 A HN 0.439 nan 8.150 nan 0.000 0.444 240 T N 0.293 114.799 114.554 -0.079 0.000 2.708 240 T HA -0.119 4.276 4.350 0.074 0.000 0.266 240 T C 1.758 176.449 174.700 -0.014 0.000 1.037 240 T CA 1.602 63.678 62.100 -0.040 0.000 1.146 240 T CB -0.349 68.496 68.868 -0.038 0.000 0.865 240 T HN 0.246 nan 8.240 nan 0.000 0.435 241 L N 0.840 122.004 121.223 -0.098 0.000 2.042 241 L HA -0.034 4.351 4.340 0.074 0.000 0.210 241 L C 2.648 179.600 176.870 0.138 0.000 1.076 241 L CA 1.627 56.462 54.840 -0.009 0.000 0.749 241 L CB -0.502 41.424 42.059 -0.221 0.000 0.893 241 L HN 0.128 nan 8.230 nan 0.000 0.432 242 R N -0.867 119.609 120.500 -0.040 0.000 2.152 242 R HA -0.103 4.282 4.340 0.074 0.000 0.232 242 R C 2.065 178.450 176.300 0.142 0.000 1.117 242 R CA 1.112 57.194 56.100 -0.030 0.000 0.981 242 R CB -0.501 29.740 30.300 -0.099 0.000 0.870 242 R HN 0.383 nan 8.270 nan 0.000 0.451 243 A N 0.557 123.449 122.820 0.120 0.000 2.167 243 A HA -0.080 4.285 4.320 0.074 0.000 0.214 243 A C 0.689 178.349 177.584 0.126 0.000 1.151 243 A CA 0.134 52.230 52.037 0.097 0.000 0.735 243 A CB -0.434 18.593 19.000 0.045 0.000 0.802 243 A HN 0.233 nan 8.150 nan 0.000 0.467 244 H N 0.285 119.438 119.070 0.139 0.000 2.815 244 H HA 0.098 4.697 4.556 0.072 0.000 0.350 244 H C -1.751 173.563 175.328 -0.023 0.000 1.080 244 H CA -1.306 54.770 56.048 0.047 0.000 1.433 244 H CB 1.156 30.932 29.762 0.023 0.000 1.432 244 H HN -0.002 nan 8.280 nan 0.000 0.592 245 P HA -0.195 nan 4.420 nan 0.000 0.217 245 P C 1.154 178.380 177.300 -0.124 0.000 1.148 245 P CA 2.139 65.099 63.100 -0.233 0.000 0.834 245 P CB -0.019 31.473 31.700 -0.346 0.000 0.783 246 A N -1.679 121.127 122.820 -0.025 0.000 1.948 246 A HA -0.223 4.142 4.320 0.074 0.000 0.220 246 A C 1.715 179.022 177.584 -0.462 0.000 1.177 246 A CA 1.903 53.730 52.037 -0.351 0.000 0.636 246 A CB -1.550 17.030 19.000 -0.700 0.000 0.815 246 A HN 0.164 nan 8.150 nan 0.000 0.449 247 F N -1.027 118.967 119.950 0.074 0.000 2.419 247 F HA 0.064 4.639 4.527 0.080 0.000 0.283 247 F C 2.406 178.208 175.800 0.004 0.000 1.044 247 F CA 0.831 58.848 58.000 0.029 0.000 1.376 247 F CB -0.840 38.182 39.000 0.037 0.000 1.131 247 F HN 0.098 nan 8.300 nan 0.000 0.585 248 V N -1.177 118.831 119.914 0.157 0.000 2.453 248 V HA -0.162 4.002 4.120 0.074 0.000 0.247 248 V C 1.693 177.797 176.094 0.016 0.000 1.048 248 V CA 1.754 64.098 62.300 0.074 0.000 1.049 248 V CB -0.853 30.997 31.823 0.045 0.000 0.672 248 V HN 0.406 nan 8.190 nan 0.000 0.457 249 Q N -0.199 119.589 119.800 -0.020 0.000 2.304 249 Q HA 0.221 4.605 4.340 0.074 0.000 0.204 249 Q C 2.343 178.308 176.000 -0.058 0.000 0.936 249 Q CA 0.636 56.411 55.803 -0.045 0.000 0.878 249 Q CB 0.154 28.850 28.738 -0.070 0.000 0.983 249 Q HN 0.548 nan 8.270 nan 0.000 0.516 250 R N -0.400 120.055 120.500 -0.075 0.000 2.290 250 R HA 0.149 4.534 4.340 0.074 0.000 0.197 250 R C 0.782 177.021 176.300 -0.102 0.000 0.913 250 R CA 0.613 56.647 56.100 -0.109 0.000 1.040 250 R CB 0.681 30.897 30.300 -0.141 0.000 0.992 250 R HN 0.337 nan 8.270 nan 0.000 0.500 251 G N 1.503 110.285 108.800 -0.030 0.000 2.168 251 G HA2 -0.347 3.658 3.960 0.074 0.000 0.257 251 G HA3 -0.347 3.658 3.960 0.074 0.000 0.257 251 G C 0.325 175.248 174.900 0.038 0.000 0.997 251 G CA 0.246 45.355 45.100 0.015 0.000 0.708 251 G HN 0.534 nan 8.290 nan 0.000 0.520 252 A N -0.208 122.642 122.820 0.049 0.000 2.555 252 A HA 0.525 4.889 4.320 0.074 0.000 0.233 252 A C 1.013 178.761 177.584 0.275 0.000 1.060 252 A CA 0.469 52.570 52.037 0.108 0.000 0.759 252 A CB 0.225 19.254 19.000 0.047 0.000 0.995 252 A HN 0.626 nan 8.150 nan 0.000 0.506 253 R N -0.190 120.403 120.500 0.155 0.000 2.543 253 R HA 0.401 4.786 4.340 0.074 0.000 0.277 253 R C -0.921 175.534 176.300 0.258 0.000 1.074 253 R CA -0.349 55.839 56.100 0.147 0.000 1.076 253 R CB 0.487 30.761 30.300 -0.044 0.000 0.993 253 R HN 0.513 nan 8.270 nan 0.000 0.459 254 L N 2.679 123.999 121.223 0.161 0.000 2.404 254 L HA 0.314 4.699 4.340 0.074 0.000 0.272 254 L C -0.993 175.920 176.870 0.072 0.000 0.980 254 L CA -0.286 54.565 54.840 0.018 0.000 0.836 254 L CB 1.686 43.370 42.059 -0.625 0.000 1.238 254 L HN 0.557 nan 8.230 nan 0.000 0.408 255 N N 3.912 122.670 118.700 0.096 0.000 2.456 255 N HA 0.560 5.345 4.740 0.074 0.000 0.288 255 N C -1.607 173.884 175.510 -0.033 0.000 1.059 255 N CA -0.290 52.693 53.050 -0.112 0.000 0.946 255 N CB 1.915 40.104 38.487 -0.496 0.000 1.150 255 N HN 0.469 nan 8.380 nan 0.000 0.479 256 V N 3.049 122.944 119.914 -0.032 0.000 2.487 256 V HA 0.277 4.442 4.120 0.074 0.000 0.298 256 V C -0.700 175.390 176.094 -0.007 0.000 1.028 256 V CA -0.777 61.564 62.300 0.068 0.000 0.860 256 V CB 1.644 33.513 31.823 0.076 0.000 0.991 256 V HN 0.702 nan 8.190 nan 0.000 0.427 257 E N 4.390 124.577 120.200 -0.022 0.000 2.165 257 E HA 0.859 5.254 4.350 0.074 0.000 0.266 257 E C -0.386 176.195 176.600 -0.032 0.000 0.889 257 E CA -0.625 55.737 56.400 -0.064 0.000 0.756 257 E CB 2.388 32.030 29.700 -0.096 0.000 1.131 257 E HN 0.692 nan 8.360 nan 0.000 0.411 258 A N 3.014 125.834 122.820 -0.000 0.000 2.539 258 A HA 0.484 4.848 4.320 0.074 0.000 0.272 258 A C -1.036 176.561 177.584 0.021 0.000 1.286 258 A CA -0.967 51.090 52.037 0.033 0.000 0.792 258 A CB 0.381 19.428 19.000 0.078 0.000 1.355 258 A HN 0.644 nan 8.150 nan 0.000 0.472 259 D N 1.040 121.458 120.400 0.029 0.000 2.571 259 D HA 0.368 5.053 4.640 0.074 0.000 0.231 259 D C -0.216 176.122 176.300 0.062 0.000 1.133 259 D CA 1.426 55.453 54.000 0.045 0.000 0.862 259 D CB 0.477 41.304 40.800 0.046 0.000 1.179 259 D HN 0.436 nan 8.370 nan 0.000 0.474 260 S N 1.381 117.141 115.700 0.099 0.000 2.720 260 S HA 0.354 4.869 4.470 0.074 0.000 0.278 260 S C -1.213 173.466 174.600 0.131 0.000 1.172 260 S CA -0.811 57.450 58.200 0.102 0.000 1.019 260 S CB 0.258 63.519 63.200 0.102 0.000 1.049 260 S HN 0.233 nan 8.310 nan 0.000 0.483 261 L N 5.518 126.817 121.223 0.126 0.000 2.466 261 L HA 0.372 4.757 4.340 0.074 0.000 0.248 261 L C 0.480 177.456 176.870 0.178 0.000 1.240 261 L CA -0.145 54.779 54.840 0.140 0.000 1.180 261 L CB -0.580 41.561 42.059 0.137 0.000 1.413 261 L HN 0.570 nan 8.230 nan 0.000 0.406 262 N N 0.378 119.192 118.700 0.190 0.000 2.407 262 N HA 0.052 4.837 4.740 0.074 0.000 0.250 262 N C 0.017 175.669 175.510 0.237 0.000 1.236 262 N CA 0.204 53.413 53.050 0.264 0.000 0.879 262 N CB 0.820 39.502 38.487 0.325 0.000 1.088 262 N HN 0.308 nan 8.380 nan 0.000 0.450 263 S N 0.290 116.176 115.700 0.309 0.000 2.593 263 S HA 0.681 5.195 4.470 0.074 0.000 0.297 263 S C -0.223 174.540 174.600 0.272 0.000 1.112 263 S CA -0.838 57.520 58.200 0.264 0.000 1.043 263 S CB 1.757 65.204 63.200 0.410 0.000 1.054 263 S HN 0.688 nan 8.310 nan 0.000 0.516 264 A N 2.380 125.334 122.820 0.224 0.000 2.330 264 A HA 0.776 5.141 4.320 0.074 0.000 0.313 264 A C -0.857 176.988 177.584 0.435 0.000 1.124 264 A CA -0.609 51.667 52.037 0.398 0.000 0.774 264 A CB 0.391 19.569 19.000 0.296 0.000 1.198 264 A HN 0.783 nan 8.150 nan 0.000 0.465 265 I N 2.885 123.728 120.570 0.456 0.000 2.382 265 I HA 0.241 4.456 4.170 0.074 0.000 0.286 265 I C -0.729 175.520 176.117 0.220 0.000 1.002 265 I CA -0.740 60.738 61.300 0.296 0.000 1.135 265 I CB 1.749 39.847 38.000 0.164 0.000 1.288 265 I HN 0.586 nan 8.210 nan 0.000 0.448 266 L N 7.602 128.763 121.223 -0.104 0.000 2.315 266 L HA 0.342 4.727 4.340 0.074 0.000 0.283 266 L C -0.064 176.845 176.870 0.065 0.000 1.089 266 L CA 0.237 54.882 54.840 -0.326 0.000 0.833 266 L CB 0.388 41.897 42.059 -0.916 0.000 1.170 266 L HN 0.656 nan 8.230 nan 0.000 0.442 267 C N 3.775 123.146 119.300 0.117 0.000 2.656 267 C HA 0.336 4.840 4.460 0.074 0.000 0.391 267 C C 2.078 177.146 174.990 0.131 0.000 1.300 267 C CA 0.079 59.200 59.018 0.171 0.000 2.302 267 C CB 0.520 28.355 27.740 0.159 0.000 2.655 267 C HN 1.042 nan 8.230 nan 0.000 0.656 268 A N 1.597 124.500 122.820 0.137 0.000 2.019 268 A HA -0.168 4.197 4.320 0.074 0.000 0.219 268 A C 2.032 179.623 177.584 0.011 0.000 1.164 268 A CA 2.098 54.176 52.037 0.068 0.000 0.644 268 A CB -0.456 18.587 19.000 0.073 0.000 0.805 268 A HN 0.989 nan 8.150 nan 0.000 0.449 269 D N -0.031 120.360 120.400 -0.015 0.000 2.317 269 D HA 0.106 4.790 4.640 0.074 0.000 0.211 269 D C 0.923 177.237 176.300 0.023 0.000 0.966 269 D CA 0.869 54.856 54.000 -0.021 0.000 0.876 269 D CB -0.134 40.628 40.800 -0.064 0.000 0.927 269 D HN 0.323 nan 8.370 nan 0.000 0.519 270 A N 1.873 124.729 122.820 0.060 0.000 3.091 270 A HA 0.330 4.694 4.320 0.074 0.000 0.264 270 A C 0.711 178.397 177.584 0.169 0.000 1.673 270 A CA -0.440 51.669 52.037 0.119 0.000 1.362 270 A CB -0.923 18.157 19.000 0.134 0.000 1.137 270 A HN 0.314 nan 8.150 nan 0.000 0.617 271 T N -1.794 112.804 114.554 0.074 0.000 2.882 271 T HA 0.374 4.769 4.350 0.074 0.000 0.287 271 T C -1.772 172.807 174.700 -0.202 0.000 1.014 271 T CA -1.587 60.500 62.100 -0.021 0.000 1.049 271 T CB 0.780 69.611 68.868 -0.061 0.000 1.001 271 T HN 0.128 nan 8.240 nan 0.000 0.525 272 P HA -0.120 nan 4.420 nan 0.000 0.220 272 P C 1.073 178.031 177.300 -0.570 0.000 1.144 272 P CA 1.072 63.409 63.100 -1.271 0.000 0.800 272 P CB -0.062 31.071 31.700 -0.946 0.000 0.772 273 D N -1.676 118.557 120.400 -0.279 0.000 2.340 273 D HA -0.033 4.652 4.640 0.074 0.000 0.220 273 D C 0.405 176.673 176.300 -0.053 0.000 1.039 273 D CA 0.451 54.370 54.000 -0.135 0.000 0.866 273 D CB -0.757 39.984 40.800 -0.099 0.000 0.913 273 D HN 0.179 nan 8.370 nan 0.000 0.523 274 T N -3.067 111.477 114.554 -0.016 0.000 2.925 274 T HA 0.418 4.812 4.350 0.074 0.000 0.285 274 T C -2.072 172.696 174.700 0.113 0.000 1.021 274 T CA -1.813 60.316 62.100 0.049 0.000 1.042 274 T CB 2.345 71.248 68.868 0.060 0.000 1.037 274 T HN -0.378 nan 8.240 nan 0.000 0.481 275 P HA -0.030 nan 4.420 nan 0.000 0.216 275 P C 1.645 179.044 177.300 0.166 0.000 1.150 275 P CA 1.308 64.480 63.100 0.120 0.000 0.837 275 P CB -0.242 31.511 31.700 0.088 0.000 0.786 276 A N -1.239 121.685 122.820 0.175 0.000 1.933 276 A HA -0.208 4.156 4.320 0.074 0.000 0.218 276 A C 2.081 179.821 177.584 0.260 0.000 1.175 276 A CA 1.254 53.419 52.037 0.214 0.000 0.628 276 A CB -1.831 17.284 19.000 0.191 0.000 0.814 276 A HN 0.141 nan 8.150 nan 0.000 0.444 277 F N 1.455 121.465 119.950 0.100 0.000 2.065 277 F HA -0.266 4.307 4.527 0.075 0.000 0.298 277 F C 1.795 177.672 175.800 0.130 0.000 1.112 277 F CA 2.474 60.532 58.000 0.096 0.000 1.212 277 F CB -0.355 38.674 39.000 0.049 0.000 0.975 277 F HN 0.328 nan 8.300 nan 0.000 0.476 278 D N 0.463 121.044 120.400 0.301 0.000 2.149 278 D HA -0.209 4.476 4.640 0.074 0.000 0.198 278 D C 2.331 178.670 176.300 0.065 0.000 0.990 278 D CA 1.685 55.782 54.000 0.162 0.000 0.839 278 D CB -0.476 40.420 40.800 0.159 0.000 0.948 278 D HN 0.324 nan 8.370 nan 0.000 0.460 279 L N -0.402 120.896 121.223 0.126 0.000 2.083 279 L HA -0.140 4.245 4.340 0.074 0.000 0.209 279 L C 2.199 179.135 176.870 0.110 0.000 1.083 279 L CA 0.778 55.712 54.840 0.156 0.000 0.752 279 L CB -0.466 41.744 42.059 0.251 0.000 0.899 279 L HN 0.056 nan 8.230 nan 0.000 0.433 280 F N 1.012 120.848 119.950 -0.190 0.000 2.075 280 F HA -0.236 4.335 4.527 0.073 0.000 0.297 280 F C 2.395 177.885 175.800 -0.517 0.000 1.113 280 F CA 1.460 59.040 58.000 -0.700 0.000 1.218 280 F CB -0.109 38.428 39.000 -0.773 0.000 0.984 280 F HN -0.141 nan 8.300 nan 0.000 0.472 281 I N 0.846 121.128 120.570 -0.480 0.000 2.163 281 I HA -0.302 3.913 4.170 0.074 0.000 0.243 281 I C 2.275 178.161 176.117 -0.385 0.000 1.085 281 I CA 1.561 62.562 61.300 -0.499 0.000 1.347 281 I CB -1.526 36.298 38.000 -0.293 0.000 1.044 281 I HN 0.242 nan 8.210 nan 0.000 0.408 282 K N 0.400 120.660 120.400 -0.232 0.000 2.026 282 K HA -0.233 4.132 4.320 0.074 0.000 0.208 282 K C 2.120 178.615 176.600 -0.176 0.000 1.048 282 K CA 1.566 57.762 56.287 -0.152 0.000 0.929 282 K CB -0.122 32.343 32.500 -0.058 0.000 0.713 282 K HN 0.128 nan 8.250 nan 0.000 0.439 283 E N 0.537 120.626 120.200 -0.186 0.000 2.072 283 E HA -0.118 4.276 4.350 0.074 0.000 0.191 283 E C 1.793 178.225 176.600 -0.280 0.000 0.985 283 E CA 0.782 57.103 56.400 -0.132 0.000 0.801 283 E CB 0.053 29.814 29.700 0.101 0.000 0.750 283 E HN 0.002 nan 8.360 nan 0.000 0.452 284 V N -0.283 119.327 119.914 -0.506 0.000 2.287 284 V HA -0.258 3.907 4.120 0.074 0.000 0.248 284 V C 2.312 178.198 176.094 -0.348 0.000 1.053 284 V CA 1.637 63.625 62.300 -0.520 0.000 1.027 284 V CB -0.511 30.855 31.823 -0.760 0.000 0.646 284 V HN 0.172 nan 8.190 nan 0.000 0.447 285 V N -0.220 119.506 119.914 -0.313 0.000 2.295 285 V HA -0.278 3.887 4.120 0.074 0.000 0.246 285 V C 2.561 178.548 176.094 -0.178 0.000 1.049 285 V CA 2.396 64.555 62.300 -0.235 0.000 1.024 285 V CB -0.771 30.920 31.823 -0.220 0.000 0.648 285 V HN 0.466 nan 8.190 nan 0.000 0.447 286 R N -0.020 120.385 120.500 -0.159 0.000 2.096 286 R HA -0.185 4.200 4.340 0.074 0.000 0.240 286 R C 2.333 178.562 176.300 -0.120 0.000 1.139 286 R CA 1.782 57.812 56.100 -0.116 0.000 0.952 286 R CB -0.179 30.067 30.300 -0.090 0.000 0.854 286 R HN 0.468 nan 8.270 nan 0.000 0.436 287 E N -0.069 120.040 120.200 -0.151 0.000 2.152 287 E HA -0.153 4.242 4.350 0.074 0.000 0.192 287 E C 1.951 178.461 176.600 -0.150 0.000 0.983 287 E CA 1.083 57.393 56.400 -0.150 0.000 0.818 287 E CB -0.064 29.502 29.700 -0.224 0.000 0.758 287 E HN 0.482 nan 8.360 nan 0.000 0.467 288 M N 0.191 119.695 119.600 -0.159 0.000 2.296 288 M HA -0.103 4.421 4.480 0.074 0.000 0.265 288 M C 2.073 178.310 176.300 -0.106 0.000 1.064 288 M CA 1.799 57.020 55.300 -0.132 0.000 1.109 288 M CB -0.059 32.461 32.600 -0.133 0.000 1.396 288 M HN 0.113 nan 8.290 nan 0.000 0.430 289 T N -3.852 110.641 114.554 -0.102 0.000 2.999 289 T HA 0.196 4.591 4.350 0.074 0.000 0.247 289 T C 0.646 175.304 174.700 -0.070 0.000 1.012 289 T CA -0.306 61.749 62.100 -0.075 0.000 1.048 289 T CB -0.409 68.417 68.868 -0.070 0.000 1.020 289 T HN 0.015 nan 8.240 nan 0.000 0.478 290 V N 3.510 123.378 119.914 -0.077 0.000 2.509 290 V HA 0.109 4.274 4.120 0.074 0.000 0.297 290 V C 0.609 176.652 176.094 -0.086 0.000 1.014 290 V CA 0.361 62.621 62.300 -0.066 0.000 1.127 290 V CB -0.343 31.445 31.823 -0.059 0.000 0.925 290 V HN 0.677 nan 8.190 nan 0.000 0.480 291 K N 3.258 123.613 120.400 -0.074 0.000 3.088 291 K HA -0.219 4.145 4.320 0.074 0.000 0.273 291 K C 0.620 177.165 176.600 -0.092 0.000 1.111 291 K CA 0.678 56.908 56.287 -0.094 0.000 0.803 291 K CB -1.605 30.793 32.500 -0.170 0.000 1.226 291 K HN 0.888 nan 8.250 nan 0.000 0.485 292 S N -1.747 113.912 115.700 -0.070 0.000 3.641 292 S HA -0.178 4.337 4.470 0.074 0.000 0.346 292 S C 1.081 175.613 174.600 -0.114 0.000 1.074 292 S CA 1.577 59.742 58.200 -0.058 0.000 1.026 292 S CB -1.587 61.603 63.200 -0.016 0.000 0.908 292 S HN 1.303 nan 8.310 nan 0.000 0.479 293 G N 0.118 108.822 108.800 -0.159 0.000 2.162 293 G HA2 -0.348 3.657 3.960 0.074 0.000 0.260 293 G HA3 -0.348 3.657 3.960 0.074 0.000 0.260 293 G C 0.048 174.669 174.900 -0.466 0.000 0.976 293 G CA 0.565 45.524 45.100 -0.236 0.000 0.655 293 G HN 0.687 nan 8.290 nan 0.000 0.533 294 Q N 0.264 119.784 119.800 -0.468 0.000 2.404 294 Q HA 0.217 4.601 4.340 0.074 0.000 0.272 294 Q C 0.470 176.152 176.000 -0.529 0.000 0.939 294 Q CA 0.367 55.711 55.803 -0.765 0.000 0.945 294 Q CB 0.100 28.735 28.738 -0.171 0.000 1.195 294 Q HN 0.424 nan 8.270 nan 0.000 0.415 295 K N -0.438 119.716 120.400 -0.410 0.000 2.221 295 K HA 0.219 4.583 4.320 0.074 0.000 0.258 295 K C 0.339 176.992 176.600 0.088 0.000 0.944 295 K CA -0.549 55.712 56.287 -0.043 0.000 0.823 295 K CB 1.664 34.178 32.500 0.024 0.000 1.113 295 K HN 0.188 nan 8.250 nan 0.000 0.431 296 C N 0.860 120.353 119.300 0.321 0.000 2.410 296 C HA -0.110 4.394 4.460 0.074 0.000 0.281 296 C C 2.311 177.445 174.990 0.239 0.000 1.318 296 C CA 1.236 60.468 59.018 0.357 0.000 1.776 296 C CB -1.133 26.781 27.740 0.291 0.000 1.942 296 C HN 0.891 nan 8.230 nan 0.000 0.508 297 T N -1.102 113.565 114.554 0.189 0.000 3.107 297 T HA 0.383 4.778 4.350 0.074 0.000 0.249 297 T C 0.706 175.543 174.700 0.228 0.000 1.096 297 T CA 0.590 62.794 62.100 0.173 0.000 1.012 297 T CB -0.184 68.737 68.868 0.088 0.000 0.977 297 T HN 0.488 nan 8.240 nan 0.000 0.527 298 A N 1.610 124.501 122.820 0.118 0.000 2.520 298 A HA 0.463 4.827 4.320 0.074 0.000 0.235 298 A C 0.433 178.024 177.584 0.012 0.000 1.065 298 A CA -0.446 51.608 52.037 0.029 0.000 0.764 298 A CB -0.426 18.520 19.000 -0.091 0.000 1.002 298 A HN 0.612 nan 8.150 nan 0.000 0.502 299 I N 2.408 122.856 120.570 -0.203 0.000 2.598 299 I HA 0.038 4.253 4.170 0.074 0.000 0.284 299 I C 1.198 177.242 176.117 -0.121 0.000 1.140 299 I CA 0.020 61.172 61.300 -0.247 0.000 1.420 299 I CB 0.427 38.170 38.000 -0.428 0.000 1.387 299 I HN 0.701 nan 8.210 nan 0.000 0.553 300 R N 5.304 125.774 120.500 -0.051 0.000 2.287 300 R HA 0.284 4.669 4.340 0.074 0.000 0.197 300 R C 0.105 176.359 176.300 -0.077 0.000 0.900 300 R CA 0.285 56.365 56.100 -0.033 0.000 1.052 300 R CB 0.256 30.573 30.300 0.027 0.000 1.117 300 R HN 0.523 nan 8.270 nan 0.000 0.568 301 R N 0.478 120.905 120.500 -0.122 0.000 2.476 301 R HA 0.604 4.988 4.340 0.074 0.000 0.305 301 R C -1.159 174.864 176.300 -0.461 0.000 0.965 301 R CA -0.411 55.492 56.100 -0.328 0.000 0.867 301 R CB 2.349 32.464 30.300 -0.309 0.000 1.176 301 R HN -0.031 nan 8.270 nan 0.000 0.447 302 A N 4.077 126.619 122.820 -0.464 0.000 2.291 302 A HA 0.636 5.000 4.320 0.074 0.000 0.311 302 A C -1.088 176.334 177.584 -0.269 0.000 1.224 302 A CA -0.518 51.393 52.037 -0.210 0.000 0.821 302 A CB 0.298 19.291 19.000 -0.012 0.000 1.172 302 A HN 0.548 nan 8.150 nan 0.000 0.494 303 F N 2.486 122.558 119.950 0.203 0.000 2.411 303 F HA 0.540 5.111 4.527 0.073 0.000 0.352 303 F C 0.415 176.371 175.800 0.261 0.000 1.123 303 F CA -0.667 57.462 58.000 0.215 0.000 1.044 303 F CB 2.046 41.132 39.000 0.143 0.000 1.135 303 F HN 0.489 nan 8.300 nan 0.000 0.461 304 V N 1.320 121.464 119.914 0.384 0.000 2.962 304 V HA 0.746 4.910 4.120 0.074 0.000 0.313 304 V C -2.955 172.984 176.094 -0.257 0.000 1.099 304 V CA -3.299 59.052 62.300 0.084 0.000 0.971 304 V CB 2.113 33.912 31.823 -0.040 0.000 1.028 304 V HN 0.375 nan 8.190 nan 0.000 0.430 305 P HA 0.150 nan 4.420 nan 0.000 0.265 305 P C 0.714 177.839 177.300 -0.291 0.000 1.187 305 P CA 0.360 63.055 63.100 -0.675 0.000 0.766 305 P CB 0.472 31.940 31.700 -0.386 0.000 0.820 306 E N 2.498 122.559 120.200 -0.231 0.000 2.108 306 E HA -0.317 4.078 4.350 0.074 0.000 0.203 306 E C 1.919 178.487 176.600 -0.054 0.000 1.022 306 E CA 2.055 58.405 56.400 -0.083 0.000 0.823 306 E CB -0.450 29.224 29.700 -0.043 0.000 0.744 306 E HN 0.537 nan 8.360 nan 0.000 0.456 307 A N 0.795 123.574 122.820 -0.069 0.000 2.019 307 A HA -0.057 4.308 4.320 0.074 0.000 0.219 307 A C 2.210 179.780 177.584 -0.023 0.000 1.164 307 A CA 1.596 53.608 52.037 -0.042 0.000 0.644 307 A CB -0.315 18.656 19.000 -0.048 0.000 0.805 307 A HN 0.295 nan 8.150 nan 0.000 0.449 308 A N -1.269 121.539 122.820 -0.018 0.000 2.238 308 A HA 0.357 4.722 4.320 0.074 0.000 0.210 308 A C 1.792 179.430 177.584 0.089 0.000 1.179 308 A CA 0.696 52.765 52.037 0.053 0.000 0.827 308 A CB -0.376 18.679 19.000 0.090 0.000 0.856 308 A HN 0.469 nan 8.150 nan 0.000 0.488 309 L N 0.090 121.339 121.223 0.044 0.000 1.990 309 L HA -0.183 4.201 4.340 0.074 0.000 0.213 309 L C 2.242 179.159 176.870 0.078 0.000 1.072 309 L CA 2.283 57.160 54.840 0.061 0.000 0.755 309 L CB -0.389 41.698 42.059 0.046 0.000 0.889 309 L HN 0.357 nan 8.230 nan 0.000 0.432 310 E N -0.335 119.902 120.200 0.061 0.000 2.031 310 E HA -0.158 4.237 4.350 0.074 0.000 0.193 310 E C 0.134 176.783 176.600 0.083 0.000 0.994 310 E CA 1.814 58.249 56.400 0.058 0.000 0.800 310 E CB -1.741 27.980 29.700 0.035 0.000 0.752 310 E HN 0.451 nan 8.360 nan 0.000 0.447 311 P HA -0.106 nan 4.420 nan 0.000 0.216 311 P C 1.849 179.345 177.300 0.328 0.000 1.150 311 P CA 0.870 64.061 63.100 0.152 0.000 0.837 311 P CB -0.044 31.691 31.700 0.058 0.000 0.786 312 V N -0.240 119.881 119.914 0.346 0.000 2.255 312 V HA -0.253 3.911 4.120 0.074 0.000 0.247 312 V C 2.546 178.704 176.094 0.107 0.000 1.051 312 V CA 1.782 64.220 62.300 0.231 0.000 1.018 312 V CB -1.316 30.607 31.823 0.166 0.000 0.641 312 V HN 0.044 nan 8.190 nan 0.000 0.445 313 L N -0.460 120.814 121.223 0.086 0.000 2.042 313 L HA -0.174 4.211 4.340 0.074 0.000 0.210 313 L C 2.739 179.628 176.870 0.032 0.000 1.076 313 L CA 1.485 56.350 54.840 0.041 0.000 0.749 313 L CB -0.765 41.322 42.059 0.046 0.000 0.893 313 L HN 0.339 nan 8.230 nan 0.000 0.432 314 E N 0.317 120.552 120.200 0.059 0.000 2.077 314 E HA -0.198 4.197 4.350 0.074 0.000 0.193 314 E C 2.316 178.938 176.600 0.037 0.000 0.989 314 E CA 1.449 57.878 56.400 0.048 0.000 0.800 314 E CB -0.232 29.501 29.700 0.054 0.000 0.746 314 E HN 0.496 nan 8.360 nan 0.000 0.452 315 A N 1.092 123.958 122.820 0.076 0.000 1.898 315 A HA -0.092 4.273 4.320 0.074 0.000 0.216 315 A C 2.392 179.945 177.584 -0.052 0.000 1.181 315 A CA 0.881 52.955 52.037 0.061 0.000 0.620 315 A CB -0.631 18.482 19.000 0.188 0.000 0.819 315 A HN 0.152 nan 8.150 nan 0.000 0.442 316 L N -0.752 120.414 121.223 -0.096 0.000 2.056 316 L HA -0.197 4.188 4.340 0.074 0.000 0.207 316 L C 2.578 179.285 176.870 -0.271 0.000 1.078 316 L CA 1.654 56.376 54.840 -0.197 0.000 0.749 316 L CB -0.406 41.536 42.059 -0.195 0.000 0.901 316 L HN 0.337 nan 8.230 nan 0.000 0.433 317 K N 0.056 120.337 120.400 -0.198 0.000 2.009 317 K HA -0.203 4.162 4.320 0.074 0.000 0.210 317 K C 2.230 178.698 176.600 -0.220 0.000 1.049 317 K CA 1.623 57.775 56.287 -0.224 0.000 0.929 317 K CB -0.373 32.133 32.500 0.011 0.000 0.714 317 K HN 0.297 nan 8.250 nan 0.000 0.440 318 A N 1.516 124.270 122.820 -0.109 0.000 1.902 318 A HA -0.231 4.133 4.320 0.074 0.000 0.217 318 A C 2.065 179.581 177.584 -0.113 0.000 1.181 318 A CA 1.807 53.801 52.037 -0.073 0.000 0.623 318 A CB -0.373 18.609 19.000 -0.030 0.000 0.818 318 A HN 0.242 nan 8.150 nan 0.000 0.443 319 K N -0.485 119.823 120.400 -0.152 0.000 2.103 319 K HA 0.057 4.422 4.320 0.074 0.000 0.204 319 K C 1.825 178.298 176.600 -0.212 0.000 1.052 319 K CA 0.891 57.085 56.287 -0.155 0.000 0.945 319 K CB -0.255 32.154 32.500 -0.151 0.000 0.722 319 K HN 0.458 nan 8.250 nan 0.000 0.443 320 L N 0.565 121.570 121.223 -0.364 0.000 2.131 320 L HA -0.132 4.253 4.340 0.074 0.000 0.210 320 L C 2.463 179.143 176.870 -0.317 0.000 1.092 320 L CA 1.049 55.600 54.840 -0.481 0.000 0.759 320 L CB -0.463 41.014 42.059 -0.969 0.000 0.903 320 L HN 0.251 nan 8.230 nan 0.000 0.435 321 A N 0.014 122.694 122.820 -0.234 0.000 2.070 321 A HA -0.196 4.169 4.320 0.074 0.000 0.220 321 A C 2.215 179.805 177.584 0.010 0.000 1.159 321 A CA 1.439 53.492 52.037 0.027 0.000 0.656 321 A CB -0.301 18.734 19.000 0.059 0.000 0.800 321 A HN 0.370 nan 8.150 nan 0.000 0.453 322 K N -0.422 119.955 120.400 -0.039 0.000 2.418 322 K HA 0.130 4.495 4.320 0.074 0.000 0.195 322 K C -0.238 176.349 176.600 -0.022 0.000 1.035 322 K CA 0.029 56.300 56.287 -0.026 0.000 1.003 322 K CB 0.110 32.588 32.500 -0.037 0.000 0.793 322 K HN 0.334 nan 8.250 nan 0.000 0.494 323 I N 3.614 124.168 120.570 -0.027 0.000 2.389 323 I HA -0.022 4.193 4.170 0.074 0.000 0.295 323 I C 0.657 176.780 176.117 0.010 0.000 1.117 323 I CA 0.370 61.660 61.300 -0.017 0.000 1.317 323 I CB -0.481 37.500 38.000 -0.031 0.000 1.431 323 I HN 0.081 nan 8.210 nan 0.000 0.521 324 T N 4.026 118.583 114.554 0.006 0.000 2.889 324 T HA 0.661 5.056 4.350 0.074 0.000 0.291 324 T C -0.052 174.656 174.700 0.013 0.000 0.995 324 T CA -0.661 61.446 62.100 0.012 0.000 1.092 324 T CB 2.052 70.925 68.868 0.007 0.000 0.954 324 T HN 0.203 nan 8.240 nan 0.000 0.506 325 V N 2.098 122.023 119.914 0.018 0.000 2.680 325 V HA 0.920 5.085 4.120 0.074 0.000 0.309 325 V C 0.756 176.861 176.094 0.019 0.000 1.052 325 V CA 0.113 62.427 62.300 0.022 0.000 0.908 325 V CB 1.217 33.061 31.823 0.034 0.000 1.001 325 V HN 1.492 nan 8.190 nan 0.000 0.431 326 G N 2.880 111.691 108.800 0.018 0.000 2.398 326 G HA2 0.047 4.051 3.960 0.074 0.000 0.251 326 G HA3 0.047 4.051 3.960 0.074 0.000 0.251 326 G C -1.172 173.735 174.900 0.012 0.000 1.277 326 G CA -0.686 44.422 45.100 0.013 0.000 0.927 326 G HN 0.618 nan 8.290 nan 0.000 0.477 327 N N 2.335 121.040 118.700 0.009 0.000 2.452 327 N HA 0.266 5.051 4.740 0.074 0.000 0.266 327 N C -0.919 174.600 175.510 0.015 0.000 1.175 327 N CA -1.376 51.681 53.050 0.010 0.000 0.945 327 N CB 1.702 40.194 38.487 0.008 0.000 1.063 327 N HN 0.147 nan 8.380 nan 0.000 0.472 328 P HA -0.098 nan 4.420 nan 0.000 0.225 328 P C 0.643 177.960 177.300 0.028 0.000 1.148 328 P CA 0.934 64.050 63.100 0.026 0.000 0.779 328 P CB 0.373 32.094 31.700 0.035 0.000 0.780 329 R N -0.822 119.693 120.500 0.025 0.000 2.237 329 R HA 0.001 4.385 4.340 0.074 0.000 0.219 329 R C 1.250 177.559 176.300 0.015 0.000 1.080 329 R CA 0.266 56.379 56.100 0.022 0.000 0.995 329 R CB -0.452 29.861 30.300 0.021 0.000 0.875 329 R HN 0.167 nan 8.270 nan 0.000 0.462 330 N N 1.234 119.942 118.700 0.012 0.000 2.422 330 N HA -0.036 4.749 4.740 0.074 0.000 0.264 330 N C -0.203 175.312 175.510 0.007 0.000 1.063 330 N CA 0.030 53.085 53.050 0.008 0.000 0.959 330 N CB 1.260 39.751 38.487 0.007 0.000 1.087 330 N HN -0.071 nan 8.380 nan 0.000 0.483 331 D N 3.040 123.442 120.400 0.003 0.000 2.221 331 D HA -0.126 4.559 4.640 0.074 0.000 0.204 331 D C 1.364 177.664 176.300 0.001 0.000 0.982 331 D CA 1.013 55.014 54.000 0.001 0.000 0.857 331 D CB 0.024 40.822 40.800 -0.003 0.000 0.934 331 D HN 0.696 nan 8.370 nan 0.000 0.475 332 A N 0.226 123.046 122.820 0.001 0.000 2.119 332 A HA 0.009 4.374 4.320 0.074 0.000 0.217 332 A C 1.128 178.713 177.584 0.002 0.000 1.153 332 A CA 0.204 52.242 52.037 0.001 0.000 0.692 332 A CB 0.094 19.094 19.000 0.001 0.000 0.799 332 A HN 0.063 nan 8.150 nan 0.000 0.458 333 V N 1.475 121.391 119.914 0.004 0.000 2.461 333 V HA 0.142 4.307 4.120 0.074 0.000 0.275 333 V C 1.103 177.200 176.094 0.004 0.000 1.047 333 V CA -0.429 61.874 62.300 0.006 0.000 0.955 333 V CB 1.031 32.860 31.823 0.009 0.000 0.988 333 V HN 0.451 nan 8.190 nan 0.000 0.471 334 R N 3.341 123.841 120.500 0.001 0.000 2.223 334 R HA 0.307 4.691 4.340 0.074 0.000 0.198 334 R C 0.297 176.595 176.300 -0.004 0.000 0.984 334 R CA 0.463 56.561 56.100 -0.004 0.000 1.018 334 R CB 0.250 30.543 30.300 -0.012 0.000 0.945 334 R HN 0.641 nan 8.270 nan 0.000 0.479 335 M N 0.008 119.609 119.600 0.002 0.000 2.271 335 M HA 0.425 4.949 4.480 0.074 0.000 0.285 335 M C -0.266 176.040 176.300 0.011 0.000 1.059 335 M CA -0.487 54.814 55.300 0.002 0.000 0.940 335 M CB 2.167 34.767 32.600 -0.001 0.000 1.636 335 M HN 0.099 nan 8.290 nan 0.000 0.460 336 G N 1.826 110.633 108.800 0.011 0.000 2.873 336 G HA2 0.469 4.474 3.960 0.074 0.000 0.170 336 G HA3 0.469 4.474 3.960 0.074 0.000 0.170 336 G C -0.292 174.620 174.900 0.021 0.000 1.608 336 G CA 0.069 45.178 45.100 0.016 0.000 1.084 336 G HN 0.803 nan 8.290 nan 0.000 0.563 337 S N -1.326 114.386 115.700 0.020 0.000 2.722 337 S HA 0.658 5.172 4.470 0.074 0.000 0.292 337 S C 0.216 174.834 174.600 0.031 0.000 1.135 337 S CA -0.812 57.404 58.200 0.026 0.000 1.003 337 S CB 1.109 64.314 63.200 0.009 0.000 1.067 337 S HN 0.399 nan 8.310 nan 0.000 0.546 338 L N 0.718 121.971 121.223 0.050 0.000 2.470 338 L HA 0.185 4.570 4.340 0.074 0.000 0.243 338 L C 1.937 178.811 176.870 0.007 0.000 1.227 338 L CA -0.446 54.424 54.840 0.049 0.000 0.824 338 L CB 0.192 42.302 42.059 0.085 0.000 1.175 338 L HN 0.773 nan 8.230 nan 0.000 0.503 339 V N -2.813 117.075 119.914 -0.044 0.000 3.041 339 V HA 0.060 4.224 4.120 0.074 0.000 0.260 339 V C 0.663 176.683 176.094 -0.123 0.000 1.105 339 V CA 0.909 63.148 62.300 -0.102 0.000 1.125 339 V CB -0.547 31.139 31.823 -0.229 0.000 0.730 339 V HN 0.783 nan 8.190 nan 0.000 0.479 340 S N -1.629 114.001 115.700 -0.116 0.000 2.578 340 S HA 0.542 5.057 4.470 0.074 0.000 0.272 340 S C 0.062 174.643 174.600 -0.030 0.000 1.145 340 S CA -0.252 57.894 58.200 -0.090 0.000 0.835 340 S CB 1.991 65.109 63.200 -0.137 0.000 1.104 340 S HN 0.128 nan 8.310 nan 0.000 0.458 341 R N 0.801 121.281 120.500 -0.033 0.000 2.120 341 R HA 0.007 4.392 4.340 0.074 0.000 0.234 341 R C 1.598 177.966 176.300 0.113 0.000 1.123 341 R CA 2.198 58.300 56.100 0.003 0.000 0.975 341 R CB -0.620 29.644 30.300 -0.060 0.000 0.866 341 R HN 0.806 nan 8.270 nan 0.000 0.446 342 E N -0.135 120.089 120.200 0.040 0.000 2.085 342 E HA -0.190 4.204 4.350 0.074 0.000 0.194 342 E C 1.975 178.601 176.600 0.043 0.000 0.994 342 E CA 1.271 57.694 56.400 0.038 0.000 0.801 342 E CB -0.061 29.637 29.700 -0.002 0.000 0.743 342 E HN 0.269 nan 8.360 nan 0.000 0.453 343 Q N -0.669 119.134 119.800 0.004 0.000 2.119 343 Q HA -0.161 4.223 4.340 0.074 0.000 0.201 343 Q C 2.121 178.177 176.000 0.093 0.000 0.972 343 Q CA 1.215 57.030 55.803 0.020 0.000 0.847 343 Q CB -0.483 28.208 28.738 -0.078 0.000 0.903 343 Q HN 0.493 nan 8.270 nan 0.000 0.433 344 Y N 2.241 122.529 120.300 -0.020 0.000 2.114 344 Y HA -0.250 4.344 4.550 0.074 0.000 0.282 344 Y C 1.963 177.863 175.900 -0.000 0.000 1.165 344 Y CA 1.802 59.898 58.100 -0.006 0.000 1.148 344 Y CB 0.077 38.531 38.460 -0.011 0.000 0.972 344 Y HN 0.043 nan 8.280 nan 0.000 0.504 345 E N 0.606 120.832 120.200 0.043 0.000 2.051 345 E HA -0.214 4.181 4.350 0.074 0.000 0.192 345 E C 1.867 178.425 176.600 -0.070 0.000 0.991 345 E CA 1.616 57.982 56.400 -0.057 0.000 0.799 345 E CB -0.716 29.016 29.700 0.053 0.000 0.748 345 E HN 0.700 nan 8.360 nan 0.000 0.449 346 N N 0.218 118.910 118.700 -0.012 0.000 2.069 346 N HA -0.137 4.648 4.740 0.074 0.000 0.191 346 N C 1.960 177.460 175.510 -0.017 0.000 1.031 346 N CA 1.298 54.350 53.050 0.003 0.000 0.852 346 N CB -0.005 38.510 38.487 0.046 0.000 1.018 346 N HN -0.074 nan 8.380 nan 0.000 0.423 347 V N 1.256 121.153 119.914 -0.028 0.000 2.358 347 V HA -0.173 3.991 4.120 0.074 0.000 0.246 347 V C 2.111 178.129 176.094 -0.126 0.000 1.047 347 V CA 1.380 63.653 62.300 -0.044 0.000 1.035 347 V CB -0.473 31.337 31.823 -0.022 0.000 0.658 347 V HN 0.305 nan 8.190 nan 0.000 0.452 348 L N -0.042 121.051 121.223 -0.216 0.000 2.083 348 L HA -0.143 4.242 4.340 0.074 0.000 0.209 348 L C 2.706 179.495 176.870 -0.135 0.000 1.083 348 L CA 1.475 56.173 54.840 -0.236 0.000 0.752 348 L CB -0.763 41.082 42.059 -0.357 0.000 0.899 348 L HN 0.359 nan 8.230 nan 0.000 0.433 349 A N 0.316 123.075 122.820 -0.102 0.000 1.902 349 A HA -0.135 4.229 4.320 0.074 0.000 0.217 349 A C 2.410 179.966 177.584 -0.047 0.000 1.181 349 A CA 1.744 53.746 52.037 -0.058 0.000 0.623 349 A CB -1.254 17.723 19.000 -0.039 0.000 0.818 349 A HN 0.439 nan 8.150 nan 0.000 0.443 350 G N -0.017 108.757 108.800 -0.044 0.000 2.418 350 G HA2 -0.192 3.813 3.960 0.074 0.000 0.217 350 G HA3 -0.192 3.813 3.960 0.074 0.000 0.217 350 G C 1.526 176.394 174.900 -0.053 0.000 1.158 350 G CA 1.120 46.197 45.100 -0.038 0.000 0.771 350 G HN 0.481 nan 8.290 nan 0.000 0.545 351 I N 1.351 121.897 120.570 -0.039 0.000 2.179 351 I HA -0.189 4.026 4.170 0.074 0.000 0.242 351 I C 3.298 179.456 176.117 0.068 0.000 1.088 351 I CA 1.032 62.362 61.300 0.050 0.000 1.357 351 I CB -0.211 37.734 38.000 -0.092 0.000 1.051 351 I HN 0.246 nan 8.210 nan 0.000 0.409 352 A N 0.676 123.503 122.820 0.010 0.000 1.902 352 A HA -0.179 4.186 4.320 0.074 0.000 0.217 352 A C 2.535 180.103 177.584 -0.026 0.000 1.181 352 A CA 1.897 53.943 52.037 0.015 0.000 0.623 352 A CB -0.843 18.155 19.000 -0.003 0.000 0.818 352 A HN 0.443 nan 8.150 nan 0.000 0.443 353 A N -0.131 122.654 122.820 -0.059 0.000 1.858 353 A HA -0.068 4.297 4.320 0.074 0.000 0.216 353 A C 2.167 179.658 177.584 -0.155 0.000 1.190 353 A CA 1.518 53.505 52.037 -0.082 0.000 0.617 353 A CB -0.669 18.290 19.000 -0.069 0.000 0.827 353 A HN 0.467 nan 8.150 nan 0.000 0.443 354 L N -1.162 119.897 121.223 -0.274 0.000 2.079 354 L HA -0.189 4.196 4.340 0.074 0.000 0.210 354 L C 2.784 179.312 176.870 -0.570 0.000 1.081 354 L CA 1.788 56.305 54.840 -0.538 0.000 0.752 354 L CB -0.495 40.996 42.059 -0.947 0.000 0.896 354 L HN 0.478 nan 8.230 nan 0.000 0.433 355 R N 0.240 120.528 120.500 -0.354 0.000 2.193 355 R HA -0.153 4.232 4.340 0.074 0.000 0.229 355 R C 1.979 178.277 176.300 -0.003 0.000 1.110 355 R CA 0.931 57.033 56.100 0.004 0.000 0.988 355 R CB 0.047 30.481 30.300 0.223 0.000 0.871 355 R HN 0.358 nan 8.270 nan 0.000 0.458 356 E N 0.058 120.227 120.200 -0.052 0.000 2.338 356 E HA -0.139 4.256 4.350 0.074 0.000 0.197 356 E C 0.612 177.194 176.600 -0.029 0.000 1.007 356 E CA 0.807 57.191 56.400 -0.027 0.000 0.849 356 E CB 0.313 29.994 29.700 -0.032 0.000 0.774 356 E HN 0.386 nan 8.360 nan 0.000 0.506 357 E N -1.027 119.134 120.200 -0.065 0.000 2.641 357 E HA 0.301 4.695 4.350 0.074 0.000 0.224 357 E C -0.171 176.404 176.600 -0.042 0.000 0.951 357 E CA -0.074 56.296 56.400 -0.051 0.000 1.102 357 E CB 1.502 31.160 29.700 -0.069 0.000 1.091 357 E HN 0.043 nan 8.360 nan 0.000 0.507 358 A N 0.304 123.103 122.820 -0.034 0.000 2.572 358 A HA 0.610 4.975 4.320 0.074 0.000 0.295 358 A C -0.753 176.950 177.584 0.200 0.000 1.072 358 A CA -0.549 51.518 52.037 0.049 0.000 0.691 358 A CB 1.543 20.515 19.000 -0.047 0.000 1.291 358 A HN -0.066 nan 8.150 nan 0.000 0.404 359 V N 1.703 121.750 119.914 0.221 0.000 2.509 359 V HA 0.293 4.457 4.120 0.074 0.000 0.284 359 V C -0.230 176.009 176.094 0.243 0.000 1.047 359 V CA -0.410 62.008 62.300 0.197 0.000 0.952 359 V CB 1.295 33.184 31.823 0.110 0.000 0.988 359 V HN 0.742 nan 8.190 nan 0.000 0.469 360 L N 5.404 126.703 121.223 0.128 0.000 2.342 360 L HA 0.441 4.826 4.340 0.074 0.000 0.285 360 L C 1.081 177.888 176.870 -0.106 0.000 1.095 360 L CA 0.574 55.331 54.840 -0.140 0.000 0.843 360 L CB 0.554 42.512 42.059 -0.168 0.000 1.201 360 L HN 0.750 nan 8.230 nan 0.000 0.445 361 A N 5.214 127.976 122.820 -0.095 0.000 2.030 361 A HA 0.036 4.401 4.320 0.074 0.000 0.215 361 A C 0.142 177.731 177.584 0.008 0.000 1.164 361 A CA 0.615 52.639 52.037 -0.021 0.000 0.697 361 A CB -0.129 18.881 19.000 0.016 0.000 0.827 361 A HN 0.656 nan 8.150 nan 0.000 0.457 362 Y N -0.915 119.264 120.300 -0.202 0.000 2.479 362 Y HA 0.523 5.118 4.550 0.074 0.000 0.338 362 Y C -2.204 173.509 175.900 -0.311 0.000 1.055 362 Y CA -1.443 56.533 58.100 -0.206 0.000 1.023 362 Y CB 1.777 40.137 38.460 -0.167 0.000 1.287 362 Y HN 0.115 nan 8.280 nan 0.000 0.447 363 D N 2.718 122.506 120.400 -1.021 0.000 2.484 363 D HA 0.161 4.846 4.640 0.074 0.000 0.206 363 D C -0.983 174.792 176.300 -0.876 0.000 1.322 363 D CA -0.018 53.426 54.000 -0.926 0.000 0.913 363 D CB 1.068 41.438 40.800 -0.717 0.000 1.559 363 D HN 0.433 nan 8.370 nan 0.000 0.565 364 S N 1.362 116.632 115.700 -0.716 0.000 2.573 364 S HA 0.132 4.646 4.470 0.074 0.000 0.244 364 S C 1.286 175.757 174.600 -0.215 0.000 0.984 364 S CA -0.240 57.717 58.200 -0.405 0.000 1.001 364 S CB 0.182 63.278 63.200 -0.174 0.000 0.788 364 S HN 0.220 nan 8.310 nan 0.000 0.456 365 S N 2.222 117.779 115.700 -0.238 0.000 2.402 365 S HA -0.109 4.406 4.470 0.074 0.000 0.233 365 S C 2.151 176.718 174.600 -0.056 0.000 1.030 365 S CA 1.360 59.507 58.200 -0.089 0.000 1.003 365 S CB -0.543 62.630 63.200 -0.046 0.000 0.813 365 S HN 0.878 nan 8.310 nan 0.000 0.477 366 A N 0.914 123.681 122.820 -0.088 0.000 2.119 366 A HA 0.152 4.516 4.320 0.074 0.000 0.217 366 A C 0.969 178.528 177.584 -0.042 0.000 1.153 366 A CA 0.322 52.325 52.037 -0.057 0.000 0.692 366 A CB -0.328 18.629 19.000 -0.071 0.000 0.799 366 A HN 0.281 nan 8.150 nan 0.000 0.458 367 V N 2.308 122.194 119.914 -0.048 0.000 2.485 367 V HA 0.140 4.304 4.120 0.074 0.000 0.287 367 V C -2.133 173.955 176.094 -0.010 0.000 1.022 367 V CA -1.190 61.093 62.300 -0.028 0.000 1.067 367 V CB 0.278 32.086 31.823 -0.025 0.000 0.967 367 V HN 0.288 nan 8.190 nan 0.000 0.479 368 P HA 0.164 nan 4.420 nan 0.000 0.268 368 P C -0.166 177.136 177.300 0.004 0.000 1.204 368 P CA -0.218 62.883 63.100 0.000 0.000 0.768 368 P CB 0.377 32.076 31.700 -0.002 0.000 0.842 369 L N 3.060 124.288 121.223 0.008 0.000 2.485 369 L HA 0.139 4.523 4.340 0.074 0.000 0.275 369 L C 0.794 177.668 176.870 0.006 0.000 1.207 369 L CA -0.082 54.764 54.840 0.010 0.000 0.855 369 L CB -0.101 41.964 42.059 0.011 0.000 1.114 369 L HN 0.279 nan 8.230 nan 0.000 0.485 370 I N 3.242 123.816 120.570 0.007 0.000 2.396 370 I HA 0.028 4.243 4.170 0.074 0.000 0.289 370 I C 0.102 176.222 176.117 0.004 0.000 1.056 370 I CA -0.045 61.258 61.300 0.005 0.000 1.365 370 I CB 0.505 38.508 38.000 0.005 0.000 1.407 370 I HN 0.682 nan 8.210 nan 0.000 0.509 371 D N 4.159 124.560 120.400 0.002 0.000 2.882 371 D HA -0.195 4.489 4.640 0.074 0.000 0.229 371 D C -0.163 176.137 176.300 -0.000 0.000 1.167 371 D CA 1.263 55.264 54.000 0.002 0.000 0.759 371 D CB -0.676 40.126 40.800 0.003 0.000 1.088 371 D HN 0.688 nan 8.370 nan 0.000 0.425 372 A N -0.141 122.678 122.820 -0.002 0.000 2.515 372 A HA 0.531 4.896 4.320 0.074 0.000 0.298 372 A C -1.183 176.395 177.584 -0.010 0.000 1.059 372 A CA -0.710 51.322 52.037 -0.007 0.000 0.698 372 A CB 2.065 21.061 19.000 -0.007 0.000 1.289 372 A HN -0.069 nan 8.150 nan 0.000 0.404 373 D N 1.902 122.291 120.400 -0.019 0.000 2.359 373 D HA 0.518 5.203 4.640 0.074 0.000 0.230 373 D C 1.174 177.455 176.300 -0.031 0.000 1.118 373 D CA 0.374 54.362 54.000 -0.020 0.000 0.844 373 D CB 1.553 42.340 40.800 -0.022 0.000 1.059 373 D HN 0.575 nan 8.370 nan 0.000 0.493 374 A N 4.525 127.335 122.820 -0.016 0.000 2.084 374 A HA -0.218 4.146 4.320 0.074 0.000 0.221 374 A C 1.603 179.166 177.584 -0.034 0.000 1.161 374 A CA 1.118 53.150 52.037 -0.009 0.000 0.653 374 A CB -0.202 18.812 19.000 0.024 0.000 0.802 374 A HN 0.584 nan 8.150 nan 0.000 0.457 375 N N -0.932 117.747 118.700 -0.034 0.000 2.398 375 N HA 0.170 4.954 4.740 0.074 0.000 0.188 375 N C 1.117 176.575 175.510 -0.087 0.000 1.122 375 N CA 0.679 53.703 53.050 -0.043 0.000 0.866 375 N CB 0.165 38.644 38.487 -0.014 0.000 0.970 375 N HN 0.605 nan 8.380 nan 0.000 0.462 376 I N -0.535 119.972 120.570 -0.104 0.000 3.812 376 I HA 0.191 4.406 4.170 0.074 0.000 0.292 376 I C 0.695 176.712 176.117 -0.167 0.000 1.206 376 I CA -0.071 61.161 61.300 -0.113 0.000 1.370 376 I CB 0.063 38.023 38.000 -0.067 0.000 1.328 376 I HN -0.110 nan 8.210 nan 0.000 0.453 377 A N 1.227 123.953 122.820 -0.155 0.000 2.386 377 A HA 0.555 4.919 4.320 0.074 0.000 0.248 377 A C 0.687 178.088 177.584 -0.305 0.000 1.082 377 A CA 0.256 52.198 52.037 -0.160 0.000 0.789 377 A CB 0.209 19.159 19.000 -0.083 0.000 1.025 377 A HN 0.362 nan 8.150 nan 0.000 0.490 378 A N 1.345 124.029 122.820 -0.228 0.000 2.929 378 A HA 0.413 4.778 4.320 0.074 0.000 0.279 378 A C 0.185 177.797 177.584 0.048 0.000 1.418 378 A CA -0.223 51.687 52.037 -0.213 0.000 1.035 378 A CB -1.062 17.891 19.000 -0.078 0.000 1.047 378 A HN 0.711 nan 8.150 nan 0.000 0.609 379 C N 0.400 119.727 119.300 0.045 0.000 2.415 379 C HA 0.508 5.013 4.460 0.074 0.000 0.369 379 C C 0.481 175.612 174.990 0.234 0.000 1.279 379 C CA -0.398 58.690 59.018 0.117 0.000 1.886 379 C CB 0.020 27.798 27.740 0.064 0.000 2.468 379 C HN 0.438 nan 8.230 nan 0.000 0.553 380 V N 3.859 123.885 119.914 0.187 0.000 2.495 380 V HA 0.665 4.830 4.120 0.074 0.000 0.298 380 V C 0.554 176.736 176.094 0.148 0.000 1.031 380 V CA -0.389 62.011 62.300 0.165 0.000 0.871 380 V CB 1.591 33.468 31.823 0.090 0.000 0.988 380 V HN 1.060 nan 8.190 nan 0.000 0.432 381 A N 6.774 129.701 122.820 0.178 0.000 2.332 381 A HA 0.726 5.090 4.320 0.074 0.000 0.258 381 A C -2.520 175.193 177.584 0.214 0.000 1.087 381 A CA -1.415 50.700 52.037 0.130 0.000 0.802 381 A CB -0.030 18.988 19.000 0.030 0.000 1.042 381 A HN 0.657 nan 8.150 nan 0.000 0.489 382 P HA 0.161 nan 4.420 nan 0.000 0.268 382 P C -0.784 176.616 177.300 0.168 0.000 1.204 382 P CA 0.595 63.803 63.100 0.180 0.000 0.768 382 P CB 0.253 32.026 31.700 0.122 0.000 0.842 383 H N 1.914 120.985 119.070 0.002 0.000 2.547 383 H HA 0.438 5.039 4.556 0.075 0.000 0.342 383 H C -0.864 174.360 175.328 -0.173 0.000 1.048 383 H CA -0.869 55.102 56.048 -0.129 0.000 1.204 383 H CB 2.047 31.675 29.762 -0.223 0.000 1.493 383 H HN 0.272 nan 8.280 nan 0.000 0.511 384 L N 3.988 125.128 121.223 -0.138 0.000 2.325 384 L HA 0.395 4.779 4.340 0.074 0.000 0.281 384 L C -1.531 175.177 176.870 -0.271 0.000 1.004 384 L CA -0.361 54.407 54.840 -0.120 0.000 0.823 384 L CB 0.581 42.618 42.059 -0.037 0.000 1.236 384 L HN 0.342 nan 8.230 nan 0.000 0.415 385 F N 3.936 123.907 119.950 0.036 0.000 2.432 385 F HA 0.702 5.274 4.527 0.074 0.000 0.329 385 F C -0.045 175.760 175.800 0.007 0.000 1.076 385 F CA -0.631 57.383 58.000 0.023 0.000 1.018 385 F CB 1.944 40.950 39.000 0.010 0.000 1.201 385 F HN 0.103 nan 8.300 nan 0.000 0.489 386 V N 2.718 122.769 119.914 0.228 0.000 2.540 386 V HA 0.522 4.686 4.120 0.074 0.000 0.302 386 V C -0.794 175.376 176.094 0.127 0.000 1.035 386 V CA -0.867 61.514 62.300 0.136 0.000 0.873 386 V CB 1.659 33.540 31.823 0.097 0.000 0.992 386 V HN 0.467 nan 8.190 nan 0.000 0.428 387 V N 4.190 124.160 119.914 0.093 0.000 2.326 387 V HA 0.285 4.450 4.120 0.074 0.000 0.281 387 V C 0.760 176.910 176.094 0.092 0.000 1.015 387 V CA -0.360 61.983 62.300 0.073 0.000 0.823 387 V CB 0.991 32.833 31.823 0.032 0.000 1.009 387 V HN 0.928 nan 8.190 nan 0.000 0.436 388 N N 2.169 120.921 118.700 0.086 0.000 2.396 388 N HA -0.061 4.724 4.740 0.074 0.000 0.180 388 N C 0.453 176.028 175.510 0.108 0.000 1.028 388 N CA 0.665 53.770 53.050 0.092 0.000 0.893 388 N CB 0.262 38.793 38.487 0.073 0.000 0.967 388 N HN 0.656 nan 8.380 nan 0.000 0.440 389 D N -0.414 120.050 120.400 0.107 0.000 2.441 389 D HA 0.154 4.839 4.640 0.074 0.000 0.287 389 D C -1.958 174.432 176.300 0.150 0.000 1.198 389 D CA -2.344 51.730 54.000 0.123 0.000 0.894 389 D CB 0.858 41.715 40.800 0.094 0.000 1.070 389 D HN 0.023 nan 8.370 nan 0.000 0.499 390 P HA -0.063 nan 4.420 nan 0.000 0.223 390 P C 0.737 178.242 177.300 0.343 0.000 1.151 390 P CA 0.542 63.803 63.100 0.268 0.000 0.787 390 P CB 0.707 32.616 31.700 0.349 0.000 0.788 391 D N 0.435 120.989 120.400 0.257 0.000 2.117 391 D HA -0.123 4.562 4.640 0.074 0.000 0.197 391 D C 1.180 177.580 176.300 0.166 0.000 0.987 391 D CA 1.243 55.369 54.000 0.210 0.000 0.829 391 D CB -0.715 40.191 40.800 0.177 0.000 0.961 391 D HN 0.337 nan 8.370 nan 0.000 0.460 392 N N -0.473 118.313 118.700 0.143 0.000 2.203 392 N HA 0.247 5.032 4.740 0.074 0.000 0.207 392 N C -0.241 175.329 175.510 0.100 0.000 1.130 392 N CA -0.207 52.906 53.050 0.105 0.000 0.861 392 N CB 0.872 39.406 38.487 0.077 0.000 1.005 392 N HN -0.020 nan 8.380 nan 0.000 0.507 393 A N 0.598 123.492 122.820 0.123 0.000 2.488 393 A HA 0.149 4.513 4.320 0.074 0.000 0.249 393 A C 1.465 179.090 177.584 0.068 0.000 1.083 393 A CA -0.051 52.024 52.037 0.064 0.000 0.768 393 A CB 0.085 19.083 19.000 -0.003 0.000 1.017 393 A HN 0.361 nan 8.150 nan 0.000 0.496 394 T N 0.667 115.238 114.554 0.029 0.000 3.054 394 T HA 0.092 4.486 4.350 0.074 0.000 0.259 394 T C 1.249 175.955 174.700 0.011 0.000 1.092 394 T CA 1.060 63.178 62.100 0.030 0.000 1.121 394 T CB -0.250 68.628 68.868 0.016 0.000 0.912 394 T HN 0.449 nan 8.240 nan 0.000 0.489 395 L N -0.667 120.537 121.223 -0.033 0.000 2.577 395 L HA 0.404 4.788 4.340 0.074 0.000 0.225 395 L C 2.180 178.998 176.870 -0.087 0.000 1.053 395 L CA -0.035 54.771 54.840 -0.056 0.000 0.866 395 L CB -0.359 41.645 42.059 -0.092 0.000 1.132 395 L HN 0.134 nan 8.230 nan 0.000 0.486 396 L N 0.481 121.606 121.223 -0.165 0.000 2.034 396 L HA -0.271 4.114 4.340 0.074 0.000 0.217 396 L C 2.364 179.099 176.870 -0.226 0.000 1.077 396 L CA 2.086 56.763 54.840 -0.271 0.000 0.769 396 L CB -0.681 41.107 42.059 -0.452 0.000 0.890 396 L HN 0.319 nan 8.230 nan 0.000 0.435 397 H N -1.386 117.730 119.070 0.078 0.000 2.539 397 H HA 0.190 4.790 4.556 0.074 0.000 0.269 397 H C 0.774 176.141 175.328 0.064 0.000 0.980 397 H CA 0.780 56.885 56.048 0.095 0.000 1.152 397 H CB 0.310 30.131 29.762 0.099 0.000 1.407 397 H HN 0.550 nan 8.280 nan 0.000 0.564 398 D N 0.086 120.553 120.400 0.112 0.000 2.403 398 D HA 0.078 4.762 4.640 0.074 0.000 0.280 398 D C 0.263 176.591 176.300 0.047 0.000 1.091 398 D CA 0.274 54.321 54.000 0.078 0.000 0.884 398 D CB 1.570 42.410 40.800 0.065 0.000 1.427 398 D HN -0.039 nan 8.370 nan 0.000 0.504 399 V N 2.404 122.330 119.914 0.020 0.000 2.350 399 V HA 0.179 4.344 4.120 0.074 0.000 0.276 399 V C 0.071 176.176 176.094 0.018 0.000 1.028 399 V CA -0.502 61.802 62.300 0.007 0.000 0.860 399 V CB 1.925 33.732 31.823 -0.027 0.000 0.990 399 V HN 0.001 nan 8.190 nan 0.000 0.453 400 E N 4.116 124.345 120.200 0.049 0.000 2.174 400 E HA 0.460 4.854 4.350 0.074 0.000 0.282 400 E C -1.317 175.341 176.600 0.097 0.000 0.992 400 E CA -0.481 55.969 56.400 0.084 0.000 0.803 400 E CB 1.746 31.519 29.700 0.122 0.000 1.090 400 E HN 0.494 nan 8.360 nan 0.000 0.396 401 V N 6.173 126.142 119.914 0.093 0.000 2.333 401 V HA 0.154 4.319 4.120 0.074 0.000 0.274 401 V C -0.157 176.033 176.094 0.160 0.000 1.028 401 V CA -0.537 61.826 62.300 0.105 0.000 0.851 401 V CB 0.614 32.471 31.823 0.056 0.000 1.000 401 V HN 0.649 nan 8.190 nan 0.000 0.456 402 F N 5.190 125.168 119.950 0.047 0.000 2.669 402 F HA 0.642 5.214 4.527 0.074 0.000 0.353 402 F C 0.906 176.750 175.800 0.073 0.000 1.192 402 F CA 0.014 58.055 58.000 0.069 0.000 1.317 402 F CB -0.213 38.852 39.000 0.109 0.000 1.652 402 F HN 0.587 nan 8.300 nan 0.000 0.608 403 G N 1.749 110.517 108.800 -0.053 0.000 2.706 403 G HA2 0.336 4.340 3.960 0.074 0.000 0.307 403 G HA3 0.336 4.340 3.960 0.074 0.000 0.307 403 G C -2.989 171.867 174.900 -0.073 0.000 1.307 403 G CA -0.878 44.189 45.100 -0.055 0.000 0.790 403 G HN -0.105 nan 8.290 nan 0.000 0.503 404 P HA 0.384 nan 4.420 nan 0.000 0.220 404 P C -0.803 176.514 177.300 0.029 0.000 1.806 404 P CA -0.090 63.002 63.100 -0.013 0.000 0.976 404 P CB 0.348 32.060 31.700 0.021 0.000 1.952 405 V N 0.975 120.898 119.914 0.015 0.000 2.686 405 V HA 0.810 4.975 4.120 0.074 0.000 0.306 405 V C -0.137 175.991 176.094 0.056 0.000 1.065 405 V CA -0.806 61.541 62.300 0.078 0.000 0.894 405 V CB 2.008 33.901 31.823 0.117 0.000 1.004 405 V HN 0.430 nan 8.190 nan 0.000 0.424 406 A N 3.006 125.871 122.820 0.076 0.000 2.594 406 A HA 0.949 5.314 4.320 0.074 0.000 0.291 406 A C -0.744 176.899 177.584 0.098 0.000 1.105 406 A CA -0.607 51.450 52.037 0.033 0.000 0.694 406 A CB 2.186 21.146 19.000 -0.068 0.000 1.291 406 A HN 0.689 nan 8.150 nan 0.000 0.410 407 S N -0.209 115.513 115.700 0.036 0.000 2.500 407 S HA 0.631 5.146 4.470 0.074 0.000 0.301 407 S C -0.612 173.955 174.600 -0.056 0.000 1.092 407 S CA -0.515 57.717 58.200 0.053 0.000 1.030 407 S CB 1.571 64.784 63.200 0.022 0.000 1.031 407 S HN 0.734 nan 8.310 nan 0.000 0.483 408 V N 2.047 121.957 119.914 -0.007 0.000 2.472 408 V HA 0.886 5.051 4.120 0.074 0.000 0.290 408 V C 0.084 176.192 176.094 0.025 0.000 1.037 408 V CA -0.530 61.758 62.300 -0.019 0.000 0.908 408 V CB 1.271 33.111 31.823 0.028 0.000 0.985 408 V HN 1.022 nan 8.190 nan 0.000 0.454 409 A N 6.455 129.307 122.820 0.053 0.000 2.486 409 A HA 0.936 5.301 4.320 0.074 0.000 0.300 409 A C -3.039 174.708 177.584 0.271 0.000 1.048 409 A CA -1.705 50.441 52.037 0.183 0.000 0.696 409 A CB 2.268 21.440 19.000 0.287 0.000 1.278 409 A HN 0.584 nan 8.150 nan 0.000 0.405 410 P HA 0.452 nan 4.420 nan 0.000 0.278 410 P C -1.398 176.039 177.300 0.229 0.000 1.238 410 P CA 0.109 63.302 63.100 0.156 0.000 0.794 410 P CB 0.567 32.317 31.700 0.084 0.000 0.955 411 Y N -0.543 119.829 120.300 0.120 0.000 2.549 411 Y HA 0.641 5.236 4.550 0.076 0.000 0.339 411 Y C 0.111 176.156 175.900 0.241 0.000 1.053 411 Y CA -1.651 56.512 58.100 0.106 0.000 1.105 411 Y CB 1.298 39.683 38.460 -0.125 0.000 1.258 411 Y HN 0.141 nan 8.280 nan 0.000 0.478 412 R N 2.243 123.117 120.500 0.623 0.000 2.248 412 R HA 0.413 4.797 4.340 0.074 0.000 0.328 412 R C -0.978 175.498 176.300 0.293 0.000 1.067 412 R CA -0.683 55.574 56.100 0.261 0.000 0.924 412 R CB 1.026 31.387 30.300 0.102 0.000 1.013 412 R HN 0.578 nan 8.270 nan 0.000 0.454 413 V N 3.832 123.820 119.914 0.124 0.000 2.585 413 V HA -0.010 4.155 4.120 0.074 0.000 0.296 413 V C 0.921 177.094 176.094 0.132 0.000 1.035 413 V CA 0.382 62.783 62.300 0.169 0.000 1.084 413 V CB 1.165 33.016 31.823 0.047 0.000 0.953 413 V HN 0.779 nan 8.190 nan 0.000 0.483 420 L N 1.833 123.089 121.223 0.055 0.000 2.453 420 L HA 0.222 4.607 4.340 0.074 0.000 0.272 420 L C -1.300 175.641 176.870 0.118 0.000 1.182 420 L CA -1.473 53.424 54.840 0.095 0.000 0.858 420 L CB 1.148 43.232 42.059 0.040 0.000 1.120 420 L HN 0.574 nan 8.230 nan 0.000 0.474 421 P HA -0.168 nan 4.420 nan 0.000 0.218 421 P C 0.345 177.776 177.300 0.218 0.000 1.146 421 P CA 1.125 64.325 63.100 0.167 0.000 0.813 421 P CB 0.261 32.046 31.700 0.141 0.000 0.778 422 E N -1.368 118.921 120.200 0.148 0.000 2.444 422 E HA 0.220 4.614 4.350 0.074 0.000 0.191 422 E C 1.736 178.258 176.600 -0.130 0.000 1.041 422 E CA 0.011 56.387 56.400 -0.040 0.000 0.883 422 E CB -0.713 28.951 29.700 -0.061 0.000 1.024 422 E HN 0.090 nan 8.360 nan 0.000 0.470 423 A N 0.319 123.137 122.820 -0.003 0.000 1.917 423 A HA -0.312 4.053 4.320 0.074 0.000 0.219 423 A C 2.020 179.597 177.584 -0.012 0.000 1.182 423 A CA 1.963 53.995 52.037 -0.008 0.000 0.633 423 A CB -0.717 18.300 19.000 0.028 0.000 0.819 423 A HN 0.544 nan 8.150 nan 0.000 0.448 424 H N -0.720 118.290 119.070 -0.101 0.000 2.353 424 H HA -0.060 4.541 4.556 0.074 0.000 0.300 424 H C 2.340 177.489 175.328 -0.299 0.000 1.090 424 H CA 1.081 57.062 56.048 -0.113 0.000 1.327 424 H CB -0.014 29.781 29.762 0.054 0.000 1.383 424 H HN 0.477 nan 8.280 nan 0.000 0.508 425 A N 0.419 122.864 122.820 -0.625 0.000 1.940 425 A HA -0.128 4.237 4.320 0.074 0.000 0.219 425 A C 2.658 179.942 177.584 -0.500 0.000 1.176 425 A CA 1.521 53.062 52.037 -0.825 0.000 0.631 425 A CB -0.796 17.561 19.000 -1.070 0.000 0.814 425 A HN 0.321 nan 8.150 nan 0.000 0.446 426 V N -0.252 119.481 119.914 -0.302 0.000 2.295 426 V HA -0.242 3.922 4.120 0.074 0.000 0.246 426 V C 3.061 179.075 176.094 -0.132 0.000 1.049 426 V CA 1.940 64.147 62.300 -0.155 0.000 1.024 426 V CB -1.227 30.541 31.823 -0.092 0.000 0.648 426 V HN 0.619 nan 8.190 nan 0.000 0.447 427 A N -0.347 122.391 122.820 -0.136 0.000 1.902 427 A HA -0.158 4.207 4.320 0.074 0.000 0.217 427 A C 2.226 179.687 177.584 -0.206 0.000 1.181 427 A CA 1.790 53.763 52.037 -0.108 0.000 0.623 427 A CB -0.536 18.451 19.000 -0.021 0.000 0.818 427 A HN 0.497 nan 8.150 nan 0.000 0.443 428 L N -0.861 120.130 121.223 -0.387 0.000 2.046 428 L HA -0.192 4.192 4.340 0.074 0.000 0.208 428 L C 3.132 179.769 176.870 -0.387 0.000 1.077 428 L CA 1.041 55.530 54.840 -0.585 0.000 0.747 428 L CB -0.571 40.801 42.059 -1.146 0.000 0.896 428 L HN 0.444 nan 8.230 nan 0.000 0.432 429 A N 0.043 122.704 122.820 -0.266 0.000 1.908 429 A HA -0.277 4.088 4.320 0.074 0.000 0.218 429 A C 2.406 180.069 177.584 0.132 0.000 1.181 429 A CA 1.925 54.050 52.037 0.147 0.000 0.627 429 A CB -0.637 18.496 19.000 0.223 0.000 0.818 429 A HN 0.342 nan 8.150 nan 0.000 0.445 430 R N -0.556 119.960 120.500 0.027 0.000 2.127 430 R HA -0.114 4.271 4.340 0.074 0.000 0.238 430 R C 2.009 178.273 176.300 -0.060 0.000 1.134 430 R CA 1.110 57.199 56.100 -0.019 0.000 0.975 430 R CB -0.170 30.111 30.300 -0.032 0.000 0.865 430 R HN 0.400 nan 8.270 nan 0.000 0.447 431 R N -0.551 119.874 120.500 -0.125 0.000 2.293 431 R HA -0.060 4.324 4.340 0.074 0.000 0.219 431 R C 1.894 178.178 176.300 -0.026 0.000 1.091 431 R CA 1.045 57.039 56.100 -0.176 0.000 1.004 431 R CB -0.423 29.544 30.300 -0.555 0.000 0.865 431 R HN 0.343 nan 8.270 nan 0.000 0.469 432 G N 0.643 109.478 108.800 0.058 0.000 2.625 432 G HA2 -0.219 3.786 3.960 0.074 0.000 0.214 432 G HA3 -0.219 3.786 3.960 0.074 0.000 0.214 432 G C 0.365 175.288 174.900 0.038 0.000 1.132 432 G CA -0.050 45.117 45.100 0.111 0.000 0.782 432 G HN 0.413 nan 8.290 nan 0.000 0.538 433 Q N -1.973 117.822 119.800 -0.007 0.000 2.494 433 Q HA -0.140 4.244 4.340 0.074 0.000 0.266 433 Q C 0.582 176.552 176.000 -0.050 0.000 1.053 433 Q CA 0.449 56.237 55.803 -0.025 0.000 1.029 433 Q CB -2.030 26.707 28.738 -0.001 0.000 1.423 433 Q HN 1.459 nan 8.270 nan 0.000 0.516 434 G N -0.934 107.806 108.800 -0.099 0.000 3.367 434 G HA2 0.113 4.117 3.960 0.074 0.000 0.686 434 G HA3 0.113 4.117 3.960 0.074 0.000 0.686 434 G C -0.595 174.230 174.900 -0.124 0.000 1.146 434 G CA -0.289 44.724 45.100 -0.145 0.000 0.913 434 G HN 0.240 nan 8.290 nan 0.000 0.554 435 S N 1.232 116.813 115.700 -0.198 0.000 2.595 435 S HA 0.652 5.166 4.470 0.074 0.000 0.281 435 S C 1.515 176.112 174.600 -0.005 0.000 1.117 435 S CA -0.699 57.463 58.200 -0.064 0.000 0.873 435 S CB 2.027 65.240 63.200 0.022 0.000 1.108 435 S HN 0.650 nan 8.310 nan 0.000 0.477 436 L N 0.784 122.037 121.223 0.050 0.000 2.027 436 L HA 0.144 4.529 4.340 0.074 0.000 0.206 436 L C 0.569 177.495 176.870 0.093 0.000 1.074 436 L CA 1.062 55.926 54.840 0.039 0.000 0.745 436 L CB -0.097 41.992 42.059 0.050 0.000 0.898 436 L HN 0.403 nan 8.230 nan 0.000 0.433 437 V N -1.011 118.995 119.914 0.154 0.000 2.969 437 V HA 0.763 4.927 4.120 0.074 0.000 0.304 437 V C -1.570 174.639 176.094 0.191 0.000 1.192 437 V CA -0.556 61.797 62.300 0.087 0.000 0.962 437 V CB 2.028 33.739 31.823 -0.186 0.000 1.045 437 V HN 0.017 nan 8.190 nan 0.000 0.428 438 A N 4.096 126.927 122.820 0.019 0.000 2.355 438 A HA 0.943 5.308 4.320 0.074 0.000 0.317 438 A C -0.206 177.402 177.584 0.040 0.000 1.094 438 A CA -0.027 51.985 52.037 -0.041 0.000 0.764 438 A CB 1.736 20.398 19.000 -0.563 0.000 1.230 438 A HN 1.583 nan 8.150 nan 0.000 0.448 439 S N 1.553 117.409 115.700 0.259 0.000 2.593 439 S HA 0.850 5.364 4.470 0.074 0.000 0.297 439 S C -0.208 174.485 174.600 0.156 0.000 1.112 439 S CA -0.543 57.791 58.200 0.222 0.000 1.043 439 S CB 1.052 64.538 63.200 0.476 0.000 1.054 439 S HN 1.260 nan 8.310 nan 0.000 0.516 440 I N -1.311 119.170 120.570 -0.148 0.000 2.769 440 I HA 0.675 4.890 4.170 0.074 0.000 0.298 440 I C -2.055 173.856 176.117 -0.342 0.000 1.128 440 I CA -1.377 59.898 61.300 -0.042 0.000 1.031 440 I CB 1.842 39.833 38.000 -0.015 0.000 1.235 440 I HN 0.692 nan 8.210 nan 0.000 0.423 441 Y N 3.129 123.488 120.300 0.099 0.000 2.329 441 Y HA 0.682 5.277 4.550 0.075 0.000 0.328 441 Y C 0.108 176.051 175.900 0.073 0.000 0.992 441 Y CA -0.600 57.559 58.100 0.099 0.000 1.151 441 Y CB 2.123 40.666 38.460 0.139 0.000 1.150 441 Y HN 0.772 nan 8.280 nan 0.000 0.450 442 S N 1.210 117.009 115.700 0.165 0.000 2.570 442 S HA 0.360 4.875 4.470 0.074 0.000 0.270 442 S C -0.205 174.457 174.600 0.104 0.000 1.149 442 S CA -0.802 57.477 58.200 0.131 0.000 0.837 442 S CB 1.108 64.390 63.200 0.136 0.000 1.124 442 S HN 0.747 nan 8.310 nan 0.000 0.465 443 N N 1.277 120.027 118.700 0.082 0.000 2.463 443 N HA 0.026 4.811 4.740 0.074 0.000 0.181 443 N C -0.632 174.909 175.510 0.052 0.000 1.078 443 N CA 0.420 53.510 53.050 0.066 0.000 0.902 443 N CB 0.036 38.556 38.487 0.054 0.000 0.970 443 N HN 0.581 nan 8.380 nan 0.000 0.451 444 D N 1.100 121.534 120.400 0.056 0.000 2.473 444 D HA 0.114 4.799 4.640 0.074 0.000 0.226 444 D C 0.209 176.557 176.300 0.081 0.000 1.089 444 D CA -0.454 53.582 54.000 0.060 0.000 0.883 444 D CB 0.712 41.541 40.800 0.048 0.000 1.029 444 D HN -0.155 nan 8.370 nan 0.000 0.517 445 D N 2.533 122.964 120.400 0.052 0.000 2.221 445 D HA -0.143 4.542 4.640 0.074 0.000 0.204 445 D C 1.676 178.000 176.300 0.039 0.000 0.982 445 D CA 0.900 54.921 54.000 0.035 0.000 0.857 445 D CB 0.083 40.895 40.800 0.019 0.000 0.934 445 D HN 0.534 nan 8.370 nan 0.000 0.475 446 A N -0.413 122.440 122.820 0.055 0.000 2.168 446 A HA -0.140 4.224 4.320 0.074 0.000 0.215 446 A C 1.792 179.425 177.584 0.081 0.000 1.152 446 A CA 1.085 53.153 52.037 0.053 0.000 0.716 446 A CB -0.494 18.536 19.000 0.050 0.000 0.794 446 A HN 0.264 nan 8.150 nan 0.000 0.465 447 H N -0.621 118.450 119.070 0.001 0.000 2.553 447 H HA 0.268 4.869 4.556 0.075 0.000 0.276 447 H C 1.567 176.891 175.328 -0.006 0.000 0.979 447 H CA 0.765 56.814 56.048 0.003 0.000 1.268 447 H CB -0.048 29.721 29.762 0.012 0.000 1.450 447 H HN 0.345 nan 8.280 nan 0.000 0.527 448 L N -0.719 120.498 121.223 -0.009 0.000 2.083 448 L HA -0.035 4.350 4.340 0.074 0.000 0.209 448 L C 2.723 179.529 176.870 -0.108 0.000 1.083 448 L CA 1.190 55.992 54.840 -0.062 0.000 0.752 448 L CB -0.725 41.310 42.059 -0.039 0.000 0.899 448 L HN 0.411 nan 8.230 nan 0.000 0.433 449 G N 0.269 109.016 108.800 -0.089 0.000 2.459 449 G HA2 -0.313 3.692 3.960 0.074 0.000 0.217 449 G HA3 -0.313 3.692 3.960 0.074 0.000 0.217 449 G C 1.718 176.557 174.900 -0.101 0.000 1.183 449 G CA 0.963 46.014 45.100 -0.080 0.000 0.776 449 G HN 0.319 nan 8.290 nan 0.000 0.552 450 R N -0.290 120.127 120.500 -0.138 0.000 2.083 450 R HA -0.028 4.356 4.340 0.074 0.000 0.237 450 R C 2.441 178.646 176.300 -0.157 0.000 1.137 450 R CA 1.566 57.581 56.100 -0.141 0.000 0.951 450 R CB -0.491 29.713 30.300 -0.161 0.000 0.851 450 R HN 0.327 nan 8.270 nan 0.000 0.434 451 L N 0.844 121.927 121.223 -0.233 0.000 2.017 451 L HA -0.015 4.370 4.340 0.074 0.000 0.208 451 L C 2.359 179.162 176.870 -0.111 0.000 1.073 451 L CA 2.175 56.908 54.840 -0.179 0.000 0.745 451 L CB -0.868 41.074 42.059 -0.196 0.000 0.894 451 L HN 0.311 nan 8.230 nan 0.000 0.432 452 A N -0.493 122.265 122.820 -0.103 0.000 1.908 452 A HA -0.203 4.162 4.320 0.074 0.000 0.218 452 A C 2.277 179.830 177.584 -0.051 0.000 1.181 452 A CA 2.123 54.115 52.037 -0.076 0.000 0.627 452 A CB -0.979 17.977 19.000 -0.073 0.000 0.818 452 A HN 0.519 nan 8.150 nan 0.000 0.445 453 L N -0.575 120.617 121.223 -0.051 0.000 2.201 453 L HA -0.140 4.245 4.340 0.074 0.000 0.212 453 L C 2.417 179.274 176.870 -0.021 0.000 1.105 453 L CA 0.953 55.774 54.840 -0.031 0.000 0.775 453 L CB -0.472 41.567 42.059 -0.033 0.000 0.913 453 L HN 0.375 nan 8.230 nan 0.000 0.440 454 E N 0.190 120.369 120.200 -0.035 0.000 2.204 454 E HA -0.130 4.264 4.350 0.074 0.000 0.194 454 E C 2.169 178.771 176.600 0.003 0.000 0.989 454 E CA 1.020 57.407 56.400 -0.023 0.000 0.824 454 E CB 0.038 29.713 29.700 -0.041 0.000 0.756 454 E HN 0.524 nan 8.360 nan 0.000 0.477 455 L N -0.058 121.167 121.223 0.003 0.000 2.529 455 L HA 0.128 4.513 4.340 0.074 0.000 0.223 455 L C 2.303 179.270 176.870 0.163 0.000 1.113 455 L CA 0.300 55.177 54.840 0.062 0.000 0.861 455 L CB -0.127 41.873 42.059 -0.099 0.000 1.012 455 L HN -0.017 nan 8.230 nan 0.000 0.461 456 A N 0.746 123.612 122.820 0.075 0.000 1.933 456 A HA -0.234 4.131 4.320 0.074 0.000 0.218 456 A C 2.009 179.636 177.584 0.072 0.000 1.175 456 A CA 1.856 53.936 52.037 0.071 0.000 0.628 456 A CB -0.483 18.535 19.000 0.029 0.000 0.814 456 A HN 0.598 nan 8.150 nan 0.000 0.444 457 D N -0.192 120.240 120.400 0.054 0.000 2.347 457 D HA -0.084 4.601 4.640 0.074 0.000 0.215 457 D C 1.420 177.721 176.300 0.002 0.000 0.976 457 D CA 1.451 55.464 54.000 0.023 0.000 0.884 457 D CB -0.220 40.586 40.800 0.010 0.000 0.915 457 D HN 0.521 nan 8.370 nan 0.000 0.526 458 S N -1.365 114.344 115.700 0.015 0.000 2.603 458 S HA 0.143 4.658 4.470 0.074 0.000 0.232 458 S C -0.139 174.223 174.600 -0.396 0.000 1.016 458 S CA -0.610 57.500 58.200 -0.150 0.000 0.976 458 S CB -0.119 62.985 63.200 -0.160 0.000 0.921 458 S HN 0.205 nan 8.310 nan 0.000 0.516 459 H N -0.239 118.836 119.070 0.008 0.000 2.782 459 H HA 0.608 5.210 4.556 0.075 0.000 0.347 459 H C 1.185 176.514 175.328 0.002 0.000 1.038 459 H CA -0.275 55.780 56.048 0.013 0.000 1.255 459 H CB 1.477 31.254 29.762 0.025 0.000 1.623 459 H HN 0.111 nan 8.280 nan 0.000 0.525 460 G N 1.974 110.820 108.800 0.077 0.000 2.448 460 G HA2 -0.161 3.844 3.960 0.074 0.000 0.219 460 G HA3 -0.161 3.844 3.960 0.074 0.000 0.219 460 G C 0.503 175.439 174.900 0.059 0.000 1.127 460 G CA 0.531 45.654 45.100 0.039 0.000 0.766 460 G HN 0.494 nan 8.290 nan 0.000 0.552 461 R N -1.160 119.388 120.500 0.080 0.000 2.584 461 R HA 0.499 4.884 4.340 0.074 0.000 0.276 461 R C -2.003 174.323 176.300 0.042 0.000 1.046 461 R CA -0.517 55.615 56.100 0.054 0.000 0.906 461 R CB 2.191 32.513 30.300 0.037 0.000 1.215 461 R HN -0.074 nan 8.270 nan 0.000 0.449 462 V N 4.111 124.036 119.914 0.020 0.000 2.444 462 V HA 0.360 4.525 4.120 0.074 0.000 0.294 462 V C -0.594 175.499 176.094 -0.001 0.000 1.022 462 V CA -0.676 61.613 62.300 -0.017 0.000 0.850 462 V CB 1.432 33.228 31.823 -0.045 0.000 0.992 462 V HN 0.694 nan 8.190 nan 0.000 0.426 463 H N 4.295 123.292 119.070 -0.122 0.000 2.685 463 H HA 0.678 5.278 4.556 0.073 0.000 0.307 463 H C -0.469 174.755 175.328 -0.173 0.000 1.017 463 H CA -0.352 55.614 56.048 -0.135 0.000 1.237 463 H CB 1.667 31.335 29.762 -0.157 0.000 1.409 463 H HN 0.775 nan 8.280 nan 0.000 0.488 464 A N 6.905 129.471 122.820 -0.424 0.000 2.260 464 A HA 0.449 4.813 4.320 0.074 0.000 0.314 464 A C -0.561 176.772 177.584 -0.419 0.000 1.257 464 A CA -0.675 51.152 52.037 -0.350 0.000 0.871 464 A CB 0.276 19.148 19.000 -0.214 0.000 1.166 464 A HN 0.522 nan 8.150 nan 0.000 0.522 465 I N 2.788 123.101 120.570 -0.427 0.000 2.378 465 I HA 0.533 4.747 4.170 0.074 0.000 0.291 465 I C 0.413 176.469 176.117 -0.102 0.000 0.992 465 I CA -0.149 60.985 61.300 -0.276 0.000 1.154 465 I CB 0.979 38.812 38.000 -0.279 0.000 1.315 465 I HN 0.755 nan 8.210 nan 0.000 0.448 466 S N 5.875 121.560 115.700 -0.025 0.000 2.607 466 S HA 0.620 5.134 4.470 0.074 0.000 0.273 466 S C -2.518 172.119 174.600 0.061 0.000 1.148 466 S CA -1.206 57.017 58.200 0.038 0.000 0.833 466 S CB 2.178 65.388 63.200 0.018 0.000 1.130 466 S HN 0.238 nan 8.310 nan 0.000 0.470 467 P HA -0.195 nan 4.420 nan 0.000 0.216 467 P C 1.778 179.132 177.300 0.090 0.000 1.154 467 P CA 2.333 65.484 63.100 0.084 0.000 0.865 467 P CB -0.161 31.581 31.700 0.071 0.000 0.789 468 S N -1.046 114.699 115.700 0.075 0.000 2.469 468 S HA -0.096 4.418 4.470 0.074 0.000 0.238 468 S C 1.440 176.131 174.600 0.152 0.000 0.998 468 S CA 1.345 59.601 58.200 0.094 0.000 0.957 468 S CB -1.392 61.844 63.200 0.061 0.000 0.764 468 S HN 0.163 nan 8.310 nan 0.000 0.514 469 V N -0.316 119.651 119.914 0.088 0.000 3.085 469 V HA 0.328 4.493 4.120 0.074 0.000 0.345 469 V C 1.820 177.924 176.094 0.017 0.000 1.397 469 V CA 0.050 62.352 62.300 0.004 0.000 1.165 469 V CB -0.746 31.026 31.823 -0.086 0.000 1.153 469 V HN 0.554 nan 8.190 nan 0.000 0.495 470 Q N 1.448 121.336 119.800 0.147 0.000 2.152 470 Q HA -0.278 4.107 4.340 0.074 0.000 0.206 470 Q C 1.982 178.057 176.000 0.125 0.000 0.985 470 Q CA 2.465 58.347 55.803 0.133 0.000 0.863 470 Q CB -0.812 28.009 28.738 0.139 0.000 0.904 470 Q HN 0.898 nan 8.270 nan 0.000 0.422 471 H N -0.305 118.775 119.070 0.016 0.000 2.562 471 H HA 0.241 4.842 4.556 0.075 0.000 0.267 471 H C 1.309 176.641 175.328 0.007 0.000 0.959 471 H CA 1.009 57.064 56.048 0.011 0.000 1.204 471 H CB 0.203 29.970 29.762 0.008 0.000 1.430 471 H HN 0.448 nan 8.280 nan 0.000 0.545 472 S N -0.019 115.284 115.700 -0.661 0.000 2.554 472 S HA 0.010 4.524 4.470 0.074 0.000 0.227 472 S C 0.840 175.302 174.600 -0.231 0.000 1.050 472 S CA -0.323 57.564 58.200 -0.522 0.000 0.927 472 S CB 0.031 62.806 63.200 -0.707 0.000 0.859 472 S HN 0.441 nan 8.310 nan 0.000 0.494 473 Q N 2.712 122.415 119.800 -0.161 0.000 2.315 473 Q HA 0.297 4.681 4.340 0.074 0.000 0.289 473 Q C 0.565 176.580 176.000 0.024 0.000 1.044 473 Q CA 0.803 56.570 55.803 -0.059 0.000 0.920 473 Q CB -0.033 28.681 28.738 -0.040 0.000 1.214 473 Q HN 0.308 nan 8.270 nan 0.000 0.392 474 T N -0.395 114.224 114.554 0.108 0.000 3.144 474 T HA 0.450 4.845 4.350 0.074 0.000 0.249 474 T C 0.705 175.380 174.700 -0.042 0.000 1.089 474 T CA -0.187 61.925 62.100 0.019 0.000 0.989 474 T CB -0.613 68.249 68.868 -0.011 0.000 0.992 474 T HN 1.374 nan 8.240 nan 0.000 0.540 475 G N 0.949 109.747 108.800 -0.003 0.000 2.907 475 G HA2 -0.163 3.842 3.960 0.074 0.000 0.686 475 G HA3 -0.163 3.842 3.960 0.074 0.000 0.686 475 G C 0.103 174.664 174.900 -0.564 0.000 1.115 475 G CA -0.064 44.943 45.100 -0.154 0.000 0.760 475 G HN 0.392 nan 8.290 nan 0.000 0.620 476 H N 1.448 120.242 119.070 -0.459 0.000 2.289 476 H HA -0.130 4.472 4.556 0.076 0.000 0.296 476 H C 2.470 177.591 175.328 -0.344 0.000 1.091 476 H CA 3.242 59.020 56.048 -0.451 0.000 1.274 476 H CB -0.291 29.419 29.762 -0.088 0.000 1.364 476 H HN 0.852 nan 8.280 nan 0.000 0.490 477 G N 0.796 109.577 108.800 -0.031 0.000 2.838 477 G HA2 -0.073 3.932 3.960 0.074 0.000 0.210 477 G HA3 -0.073 3.932 3.960 0.074 0.000 0.210 477 G C 0.412 175.199 174.900 -0.189 0.000 1.153 477 G CA -0.409 44.678 45.100 -0.022 0.000 0.778 477 G HN 0.290 nan 8.290 nan 0.000 0.539 478 N N 0.851 119.402 118.700 -0.248 0.000 2.497 478 N HA 0.219 5.004 4.740 0.074 0.000 0.271 478 N C -0.676 174.639 175.510 -0.324 0.000 1.142 478 N CA 0.027 52.890 53.050 -0.312 0.000 0.965 478 N CB 2.363 40.690 38.487 -0.268 0.000 1.077 478 N HN -0.183 nan 8.380 nan 0.000 0.462 479 V N 4.369 124.035 119.914 -0.413 0.000 2.304 479 V HA 0.173 4.337 4.120 0.074 0.000 0.269 479 V C 0.366 176.368 176.094 -0.153 0.000 1.036 479 V CA -0.558 61.563 62.300 -0.298 0.000 0.840 479 V CB 0.484 32.032 31.823 -0.459 0.000 1.036 479 V HN 0.513 nan 8.190 nan 0.000 0.466 480 M N 8.292 127.833 119.600 -0.100 0.000 2.227 480 M HA 0.239 4.764 4.480 0.074 0.000 0.349 480 M C -1.024 175.260 176.300 -0.027 0.000 1.443 480 M CA -2.612 52.654 55.300 -0.057 0.000 1.110 480 M CB 0.908 33.468 32.600 -0.065 0.000 1.773 480 M HN 0.271 nan 8.290 nan 0.000 0.463 481 P HA -0.128 nan 4.420 nan 0.000 0.225 481 P C 1.161 178.337 177.300 -0.207 0.000 1.148 481 P CA 1.162 64.238 63.100 -0.040 0.000 0.779 481 P CB -0.131 31.535 31.700 -0.057 0.000 0.780 482 M N -2.635 116.716 119.600 -0.415 0.000 2.562 482 M HA 0.128 4.653 4.480 0.074 0.000 0.257 482 M C 0.352 176.645 176.300 -0.011 0.000 1.099 482 M CA 0.925 56.099 55.300 -0.210 0.000 1.099 482 M CB -1.107 31.366 32.600 -0.212 0.000 1.427 482 M HN -0.272 nan 8.290 nan 0.000 0.489 483 S N 1.450 117.153 115.700 0.005 0.000 2.537 483 S HA 0.612 5.127 4.470 0.074 0.000 0.301 483 S C -0.469 174.190 174.600 0.099 0.000 1.092 483 S CA -0.817 57.413 58.200 0.050 0.000 1.048 483 S CB 2.161 65.380 63.200 0.033 0.000 1.053 483 S HN 0.351 nan 8.310 nan 0.000 0.501 484 L N 2.998 124.282 121.223 0.102 0.000 2.514 484 L HA 0.197 4.582 4.340 0.074 0.000 0.280 484 L C -0.197 176.769 176.870 0.161 0.000 1.223 484 L CA 0.918 55.829 54.840 0.119 0.000 0.864 484 L CB 0.016 42.123 42.059 0.080 0.000 1.118 484 L HN 0.737 nan 8.230 nan 0.000 0.494 485 H N 3.073 122.175 119.070 0.053 0.000 2.589 485 H HA 0.761 5.364 4.556 0.078 0.000 0.351 485 H C -0.242 175.101 175.328 0.025 0.000 1.074 485 H CA -0.024 56.055 56.048 0.052 0.000 1.203 485 H CB 1.319 31.143 29.762 0.104 0.000 1.558 485 H HN 0.815 nan 8.280 nan 0.000 0.522 486 G N 1.459 109.968 108.800 -0.486 0.000 2.347 486 G HA2 0.470 4.475 3.960 0.074 0.000 0.477 486 G HA3 0.470 4.475 3.960 0.074 0.000 0.477 486 G C -0.909 173.889 174.900 -0.171 0.000 1.349 486 G CA -0.296 44.597 45.100 -0.345 0.000 1.000 486 G HN 1.172 nan 8.290 nan 0.000 0.605 487 G N -0.432 108.293 108.800 -0.125 0.000 2.601 487 G HA2 0.892 4.897 3.960 0.074 0.000 0.291 487 G HA3 0.892 4.897 3.960 0.074 0.000 0.291 487 G C -3.297 171.563 174.900 -0.068 0.000 1.456 487 G CA -0.145 44.910 45.100 -0.075 0.000 0.804 487 G HN 0.710 nan 8.290 nan 0.000 0.499 488 P HA 0.488 nan 4.420 nan 0.000 0.277 488 P C 1.147 178.413 177.300 -0.057 0.000 1.271 488 P CA 1.172 64.238 63.100 -0.056 0.000 0.795 488 P CB 1.143 32.809 31.700 -0.056 0.000 1.101 489 G N 0.791 109.564 108.800 -0.044 0.000 2.622 489 G HA2 -0.388 3.616 3.960 0.074 0.000 0.307 489 G HA3 -0.388 3.616 3.960 0.074 0.000 0.307 489 G C 1.254 176.138 174.900 -0.027 0.000 1.226 489 G CA 0.788 45.866 45.100 -0.036 0.000 0.997 489 G HN 0.656 nan 8.290 nan 0.000 0.551 490 R N 0.798 121.286 120.500 -0.020 0.000 2.127 490 R HA 0.041 4.426 4.340 0.074 0.000 0.238 490 R C 3.026 179.325 176.300 -0.001 0.000 1.134 490 R CA 2.246 58.344 56.100 -0.003 0.000 0.975 490 R CB -0.654 29.652 30.300 0.010 0.000 0.865 490 R HN 0.869 nan 8.270 nan 0.000 0.447 491 A N -0.881 121.929 122.820 -0.016 0.000 2.172 491 A HA 0.062 4.427 4.320 0.074 0.000 0.216 491 A C 1.482 179.048 177.584 -0.030 0.000 1.154 491 A CA 1.379 53.404 52.037 -0.020 0.000 0.701 491 A CB -0.160 18.817 19.000 -0.039 0.000 0.789 491 A HN 0.608 nan 8.150 nan 0.000 0.465 492 G N -3.389 105.395 108.800 -0.026 0.000 2.336 492 G HA2 0.219 4.224 3.960 0.074 0.000 0.194 492 G HA3 0.219 4.224 3.960 0.074 0.000 0.194 492 G C 1.425 176.303 174.900 -0.038 0.000 0.999 492 G CA 0.632 45.719 45.100 -0.021 0.000 0.669 492 G HN 1.978 nan 8.290 nan 0.000 0.482 493 G N -0.278 108.493 108.800 -0.048 0.000 2.153 493 G HA2 0.218 4.222 3.960 0.074 0.000 0.252 493 G HA3 0.218 4.222 3.960 0.074 0.000 0.252 493 G C 1.188 176.054 174.900 -0.057 0.000 0.994 493 G CA 1.154 46.226 45.100 -0.047 0.000 0.698 493 G HN 2.004 nan 8.290 nan 0.000 0.521 494 G N -1.028 107.724 108.800 -0.081 0.000 2.502 494 G HA2 0.651 4.655 3.960 0.074 0.000 0.305 494 G HA3 0.651 4.655 3.960 0.074 0.000 0.305 494 G C -0.475 174.354 174.900 -0.119 0.000 1.190 494 G CA -0.392 44.641 45.100 -0.112 0.000 0.933 494 G HN 0.380 nan 8.290 nan 0.000 0.503 495 E N -0.317 119.798 120.200 -0.141 0.000 2.290 495 E HA 0.358 4.752 4.350 0.074 0.000 0.274 495 E C -1.045 175.474 176.600 -0.135 0.000 0.889 495 E CA -0.435 55.905 56.400 -0.101 0.000 0.760 495 E CB 2.678 32.352 29.700 -0.043 0.000 1.206 495 E HN 0.568 nan 8.360 nan 0.000 0.419 496 E N 2.256 122.426 120.200 -0.049 0.000 2.433 496 E HA 0.505 4.900 4.350 0.074 0.000 0.273 496 E C -0.095 176.574 176.600 0.114 0.000 0.950 496 E CA -0.778 55.616 56.400 -0.011 0.000 0.796 496 E CB 2.062 31.766 29.700 0.006 0.000 1.330 496 E HN 0.370 nan 8.360 nan 0.000 0.455 497 L N -0.283 121.030 121.223 0.151 0.000 6.963 497 L HA -0.387 3.998 4.340 0.074 0.000 0.053 497 L C 1.042 178.077 176.870 0.277 0.000 1.740 497 L CA 1.220 56.227 54.840 0.277 0.000 1.613 497 L CB -1.498 40.720 42.059 0.265 0.000 2.780 497 L HN 1.007 nan 8.230 nan 0.000 1.092 498 G N -0.114 108.827 108.800 0.235 0.000 2.221 498 G HA2 0.169 4.173 3.960 0.074 0.000 0.265 498 G HA3 0.169 4.173 3.960 0.074 0.000 0.265 498 G C 1.242 176.278 174.900 0.228 0.000 1.041 498 G CA 1.011 46.222 45.100 0.185 0.000 0.807 498 G HN 2.333 nan 8.290 nan 0.000 0.502 499 G N -0.439 108.545 108.800 0.307 0.000 2.596 499 G HA2 -0.336 3.669 3.960 0.074 0.000 0.304 499 G HA3 -0.336 3.669 3.960 0.074 0.000 0.304 499 G C 1.261 176.350 174.900 0.316 0.000 1.189 499 G CA 0.857 46.135 45.100 0.296 0.000 0.986 499 G HN 1.274 nan 8.290 nan 0.000 0.548 500 L N 1.019 122.346 121.223 0.174 0.000 2.261 500 L HA -0.053 4.332 4.340 0.074 0.000 0.216 500 L C 3.131 180.183 176.870 0.303 0.000 1.114 500 L CA 1.778 56.718 54.840 0.166 0.000 0.777 500 L CB -0.391 41.687 42.059 0.030 0.000 0.910 500 L HN 0.467 nan 8.230 nan 0.000 0.440 501 R N -0.119 120.549 120.500 0.280 0.000 2.193 501 R HA -0.102 4.283 4.340 0.074 0.000 0.229 501 R C 2.319 178.775 176.300 0.261 0.000 1.110 501 R CA 1.020 57.269 56.100 0.249 0.000 0.988 501 R CB -0.378 30.034 30.300 0.188 0.000 0.871 501 R HN 0.333 nan 8.270 nan 0.000 0.458 502 A N 0.928 123.934 122.820 0.311 0.000 2.121 502 A HA -0.052 4.313 4.320 0.074 0.000 0.218 502 A C 1.984 179.810 177.584 0.403 0.000 1.154 502 A CA 0.843 53.064 52.037 0.306 0.000 0.679 502 A CB -0.297 18.875 19.000 0.286 0.000 0.795 502 A HN 0.183 nan 8.150 nan 0.000 0.458 503 L N -1.124 120.343 121.223 0.407 0.000 2.156 503 L HA -0.092 4.293 4.340 0.074 0.000 0.208 503 L C 2.986 180.176 176.870 0.533 0.000 1.095 503 L CA 0.755 55.896 54.840 0.502 0.000 0.770 503 L CB -0.593 41.678 42.059 0.353 0.000 0.914 503 L HN 0.385 nan 8.230 nan 0.000 0.439 504 A N 0.432 123.462 122.820 0.350 0.000 1.908 504 A HA -0.290 4.074 4.320 0.074 0.000 0.218 504 A C 2.184 179.947 177.584 0.298 0.000 1.181 504 A CA 1.650 53.852 52.037 0.275 0.000 0.627 504 A CB -0.899 18.210 19.000 0.182 0.000 0.818 504 A HN 0.418 nan 8.150 nan 0.000 0.445 505 F N -0.707 119.285 119.950 0.071 0.000 2.202 505 F HA -0.188 4.340 4.527 0.001 0.000 0.301 505 F C 1.543 177.217 175.800 -0.210 0.000 1.082 505 F CA 1.456 59.368 58.000 -0.147 0.000 1.313 505 F CB -0.225 38.565 39.000 -0.349 0.000 1.024 505 F HN 0.333 nan 8.300 nan 0.000 0.495 506 Y N -1.937 118.485 120.300 0.204 0.000 2.457 506 Y HA 0.195 4.809 4.550 0.106 0.000 0.263 506 Y C 0.267 176.124 175.900 -0.073 0.000 1.164 506 Y CA -0.160 57.954 58.100 0.024 0.000 1.274 506 Y CB -0.479 38.036 38.460 0.092 0.000 1.097 506 Y HN -0.026 nan 8.280 nan 0.000 0.523 507 H N -1.018 118.158 119.070 0.178 0.000 2.710 507 H HA 0.612 5.207 4.556 0.066 0.000 0.361 507 H C -0.536 174.851 175.328 0.098 0.000 1.175 507 H CA -1.298 54.844 56.048 0.157 0.000 1.206 507 H CB 1.232 31.113 29.762 0.198 0.000 1.750 507 H HN -0.219 nan 8.280 nan 0.000 0.553 508 R N 0.822 121.451 120.500 0.215 0.000 2.393 508 R HA 0.368 4.752 4.340 0.074 0.000 0.310 508 R C -0.839 175.553 176.300 0.154 0.000 0.968 508 R CA -0.790 55.402 56.100 0.153 0.000 0.867 508 R CB 0.784 31.151 30.300 0.112 0.000 1.124 508 R HN 0.669 nan 8.270 nan 0.000 0.450 509 R N 2.557 123.130 120.500 0.122 0.000 2.297 509 R HA 0.442 4.826 4.340 0.074 0.000 0.308 509 R C -1.001 175.362 176.300 0.107 0.000 1.029 509 R CA -0.121 56.041 56.100 0.103 0.000 0.929 509 R CB 0.859 31.203 30.300 0.072 0.000 1.046 509 R HN 0.760 nan 8.270 nan 0.000 0.461 510 S N 2.027 117.787 115.700 0.101 0.000 2.536 510 S HA 0.555 5.070 4.470 0.074 0.000 0.287 510 S C -1.124 173.483 174.600 0.012 0.000 1.101 510 S CA -0.802 57.438 58.200 0.067 0.000 0.950 510 S CB 2.044 65.266 63.200 0.037 0.000 1.056 510 S HN 0.760 nan 8.310 nan 0.000 0.481 511 A N 3.085 125.860 122.820 -0.075 0.000 2.309 511 A HA 0.644 5.008 4.320 0.074 0.000 0.290 511 A C -0.350 177.092 177.584 -0.236 0.000 1.206 511 A CA -0.457 51.349 52.037 -0.384 0.000 0.850 511 A CB -0.126 18.652 19.000 -0.371 0.000 1.118 511 A HN 0.668 nan 8.150 nan 0.000 0.523 512 I N 2.628 123.040 120.570 -0.263 0.000 2.330 512 I HA 0.273 4.488 4.170 0.074 0.000 0.289 512 I C -0.040 175.934 176.117 -0.238 0.000 1.001 512 I CA -0.024 61.169 61.300 -0.178 0.000 1.193 512 I CB 0.907 38.829 38.000 -0.129 0.000 1.345 512 I HN 0.692 nan 8.210 nan 0.000 0.461 513 Q N 4.926 124.595 119.800 -0.217 0.000 2.333 513 Q HA 0.847 5.232 4.340 0.074 0.000 0.265 513 Q C -0.710 175.006 176.000 -0.474 0.000 0.989 513 Q CA -0.623 54.940 55.803 -0.399 0.000 0.842 513 Q CB 2.943 31.573 28.738 -0.181 0.000 1.262 513 Q HN 0.837 nan 8.270 nan 0.000 0.451 514 A N 1.313 123.626 122.820 -0.845 0.000 2.566 514 A HA 0.771 5.135 4.320 0.074 0.000 0.290 514 A C -1.406 175.995 177.584 -0.305 0.000 1.071 514 A CA -0.466 51.351 52.037 -0.368 0.000 0.658 514 A CB 0.497 19.416 19.000 -0.135 0.000 1.285 514 A HN 0.732 nan 8.150 nan 0.000 0.427 515 A N 0.505 123.361 122.820 0.060 0.000 2.555 515 A HA 0.459 4.824 4.320 0.074 0.000 0.233 515 A C 1.414 178.990 177.584 -0.012 0.000 1.060 515 A CA 0.680 52.768 52.037 0.086 0.000 0.759 515 A CB -0.410 18.653 19.000 0.105 0.000 0.995 515 A HN 1.616 nan 8.150 nan 0.000 0.506 516 S N 1.705 117.405 115.700 0.000 0.000 2.372 516 S HA -0.259 4.255 4.470 0.074 0.000 0.227 516 S C 2.217 176.808 174.600 -0.015 0.000 1.044 516 S CA 1.907 60.097 58.200 -0.018 0.000 1.050 516 S CB -0.528 62.673 63.200 0.001 0.000 0.901 516 S HN 1.118 nan 8.310 nan 0.000 0.447 517 A N 1.176 123.996 122.820 0.001 0.000 1.969 517 A HA 0.213 4.578 4.320 0.074 0.000 0.218 517 A C 2.320 179.903 177.584 -0.003 0.000 1.169 517 A CA 1.569 53.607 52.037 0.002 0.000 0.635 517 A CB -0.894 18.113 19.000 0.010 0.000 0.810 517 A HN 0.531 nan 8.150 nan 0.000 0.445 518 A N 0.105 122.920 122.820 -0.007 0.000 1.897 518 A HA 0.003 4.368 4.320 0.074 0.000 0.215 518 A C 1.966 179.532 177.584 -0.030 0.000 1.181 518 A CA 1.421 53.450 52.037 -0.013 0.000 0.620 518 A CB -0.431 18.562 19.000 -0.010 0.000 0.821 518 A HN 0.381 nan 8.150 nan 0.000 0.443 519 I N 0.309 120.847 120.570 -0.052 0.000 2.208 519 I HA -0.208 4.007 4.170 0.074 0.000 0.245 519 I C 2.678 178.776 176.117 -0.033 0.000 1.097 519 I CA 1.544 62.807 61.300 -0.062 0.000 1.363 519 I CB -2.015 35.931 38.000 -0.091 0.000 1.051 519 I HN 0.353 nan 8.210 nan 0.000 0.413 520 G N 0.916 109.703 108.800 -0.021 0.000 2.440 520 G HA2 -0.316 3.689 3.960 0.074 0.000 0.218 520 G HA3 -0.316 3.689 3.960 0.074 0.000 0.218 520 G C 1.732 176.633 174.900 0.002 0.000 1.154 520 G CA 1.856 46.951 45.100 -0.007 0.000 0.767 520 G HN 0.497 nan 8.290 nan 0.000 0.552 521 T N 0.111 114.666 114.554 0.003 0.000 2.857 521 T HA -0.026 4.369 4.350 0.074 0.000 0.266 521 T C 2.469 177.179 174.700 0.016 0.000 1.048 521 T CA 1.436 63.543 62.100 0.011 0.000 1.139 521 T CB -0.330 68.545 68.868 0.011 0.000 0.874 521 T HN 0.407 nan 8.240 nan 0.000 0.455 522 L N 0.810 122.038 121.223 0.008 0.000 2.093 522 L HA 0.166 4.551 4.340 0.074 0.000 0.208 522 L C 2.372 179.258 176.870 0.025 0.000 1.085 522 L CA 1.819 56.667 54.840 0.015 0.000 0.755 522 L CB -1.708 40.350 42.059 -0.002 0.000 0.904 522 L HN 0.077 nan 8.230 nan 0.000 0.435 523 T N -0.120 114.443 114.554 0.014 0.000 2.788 523 T HA -0.171 4.224 4.350 0.074 0.000 0.268 523 T C 1.865 176.589 174.700 0.041 0.000 1.044 523 T CA 1.824 63.936 62.100 0.021 0.000 1.139 523 T CB -0.383 68.487 68.868 0.004 0.000 0.867 523 T HN 0.533 nan 8.240 nan 0.000 0.454 524 Q N 0.672 120.495 119.800 0.039 0.000 2.368 524 Q HA 0.003 4.388 4.340 0.074 0.000 0.210 524 Q C 1.996 178.039 176.000 0.070 0.000 0.982 524 Q CA 1.157 56.991 55.803 0.051 0.000 0.884 524 Q CB -0.198 28.564 28.738 0.041 0.000 0.933 524 Q HN 0.526 nan 8.270 nan 0.000 0.460 525 A N 0.832 123.698 122.820 0.076 0.000 2.465 525 A HA 0.140 4.505 4.320 0.074 0.000 0.255 525 A C 0.590 178.250 177.584 0.127 0.000 1.274 525 A CA 0.116 52.214 52.037 0.101 0.000 0.920 525 A CB 0.215 19.273 19.000 0.096 0.000 1.033 525 A HN 0.299 nan 8.150 nan 0.000 0.516 526 T N -3.529 111.097 114.554 0.120 0.000 2.888 526 T HA 0.675 5.070 4.350 0.074 0.000 0.288 526 T C -0.923 173.890 174.700 0.188 0.000 1.063 526 T CA -0.634 61.552 62.100 0.143 0.000 1.010 526 T CB 1.914 70.844 68.868 0.104 0.000 1.214 526 T HN 0.248 nan 8.240 nan 0.000 0.533 527 H N -0.560 118.552 119.070 0.070 0.000 3.079 527 H HA 0.369 4.969 4.556 0.073 0.000 0.356 527 H C -2.146 173.275 175.328 0.155 0.000 1.221 527 H CA -0.614 55.473 56.048 0.065 0.000 1.185 527 H CB 2.218 31.981 29.762 0.002 0.000 1.882 527 H HN 0.778 nan 8.280 nan 0.000 0.543 528 W N 5.048 126.124 121.300 -0.373 0.000 3.274 528 W HA 0.292 4.995 4.660 0.071 0.000 0.327 528 W C -3.015 173.349 176.519 -0.260 0.000 1.172 528 W CA -1.581 55.639 57.345 -0.208 0.000 1.217 528 W CB 1.964 31.332 29.460 -0.154 0.000 1.376 528 W HN 0.470 nan 8.180 nan 0.000 0.507 529 P HA 0.110 nan 4.420 nan 0.000 0.266 529 P C -0.016 177.203 177.300 -0.135 0.000 1.193 529 P CA 0.473 63.372 63.100 -0.334 0.000 0.770 529 P CB 0.557 31.979 31.700 -0.463 0.000 0.836 530 A N 0.000 122.778 122.820 -0.069 0.000 2.254 530 A HA 0.000 4.365 4.320 0.074 0.000 0.244 530 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 530 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 530 A HN 0.000 nan 8.150 nan 0.000 0.486