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 3fbh_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.051 124.869 122.820 -0.003 0.000 2.498 3 A HA 0.555 4.875 4.320 -0.000 0.000 0.239 3 A C 0.136 177.718 177.584 -0.002 0.000 1.068 3 A CA 0.370 52.409 52.037 0.002 0.000 0.766 3 A CB 0.044 19.048 19.000 0.007 0.000 1.003 3 A HN 0.590 nan 8.150 nan 0.000 0.497 4 K N 1.753 122.155 120.400 0.003 0.000 2.316 4 K HA 0.308 4.628 4.320 -0.000 0.000 0.251 4 K C -1.439 175.172 176.600 0.019 0.000 0.934 4 K CA -0.719 55.564 56.287 -0.007 0.000 0.802 4 K CB 2.156 34.646 32.500 -0.017 0.000 1.171 4 K HN 0.771 nan 8.250 nan 0.000 0.426 5 D N 1.938 122.352 120.400 0.023 0.000 2.249 5 D HA 0.246 4.886 4.640 -0.000 0.000 0.246 5 D C -0.882 175.521 176.300 0.172 0.000 1.114 5 D CA -0.409 53.656 54.000 0.107 0.000 0.854 5 D CB 0.989 41.892 40.800 0.172 0.000 1.132 5 D HN 0.063 nan 8.370 nan 0.000 0.461 6 V N 4.588 124.594 119.914 0.152 0.000 2.513 6 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 6 V C 0.224 176.310 176.094 -0.014 0.000 1.035 6 V CA -0.738 61.595 62.300 0.055 0.000 0.889 6 V CB 1.736 33.522 31.823 -0.062 0.000 0.988 6 V HN 0.433 nan 8.190 nan 0.000 0.440 7 K N 3.475 123.771 120.400 -0.172 0.000 2.422 7 K HA 0.705 5.025 4.320 -0.000 0.000 0.251 7 K C -1.689 174.662 176.600 -0.415 0.000 0.933 7 K CA -0.504 55.615 56.287 -0.280 0.000 0.798 7 K CB 2.620 34.768 32.500 -0.587 0.000 1.238 7 K HN 0.441 nan 8.250 nan 0.000 0.428 8 F N -0.070 119.859 119.950 -0.034 0.000 2.598 8 F HA 0.434 4.961 4.527 -0.000 0.000 0.327 8 F C 1.336 177.122 175.800 -0.023 0.000 1.057 8 F CA 0.163 58.157 58.000 -0.009 0.000 0.957 8 F CB 1.660 40.658 39.000 -0.003 0.000 1.278 8 F HN 0.826 nan 8.300 nan 0.000 0.484 9 G N 1.723 110.644 108.800 0.201 0.000 2.661 9 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.327 9 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.327 9 G C 1.243 176.172 174.900 0.049 0.000 1.320 9 G CA 0.940 46.103 45.100 0.104 0.000 0.997 9 G HN 0.755 nan 8.290 nan 0.000 0.543 10 N N 0.843 119.562 118.700 0.032 0.000 2.188 10 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 10 N C 1.928 177.431 175.510 -0.012 0.000 1.018 10 N CA 2.041 55.096 53.050 0.010 0.000 0.858 10 N CB -0.451 38.041 38.487 0.008 0.000 0.989 10 N HN 0.566 nan 8.380 nan 0.000 0.426 11 D N 0.273 120.662 120.400 -0.019 0.000 2.149 11 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 11 D C 1.680 177.910 176.300 -0.116 0.000 1.001 11 D CA 1.800 55.762 54.000 -0.065 0.000 0.849 11 D CB -0.244 40.519 40.800 -0.061 0.000 0.939 11 D HN 0.390 nan 8.370 nan 0.000 0.449 12 A N -0.177 122.588 122.820 -0.091 0.000 1.970 12 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 12 A C 2.227 179.795 177.584 -0.027 0.000 1.170 12 A CA 0.871 52.849 52.037 -0.098 0.000 0.645 12 A CB -0.290 18.680 19.000 -0.050 0.000 0.816 12 A HN 0.194 nan 8.150 nan 0.000 0.447 13 R N -0.013 120.481 120.500 -0.011 0.000 2.115 13 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 13 R C 2.051 178.351 176.300 0.000 0.000 1.111 13 R CA 1.530 57.633 56.100 0.005 0.000 0.976 13 R CB -0.672 29.634 30.300 0.009 0.000 0.870 13 R HN 0.578 nan 8.270 nan 0.000 0.445 14 V N -0.572 119.332 119.914 -0.016 0.000 2.427 14 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 14 V C 1.984 178.074 176.094 -0.007 0.000 1.051 14 V CA 1.317 63.608 62.300 -0.015 0.000 1.048 14 V CB -0.398 31.410 31.823 -0.025 0.000 0.666 14 V HN 0.046 nan 8.190 nan 0.000 0.456 15 K N 0.026 120.417 120.400 -0.015 0.000 2.025 15 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 15 K C 2.245 178.878 176.600 0.054 0.000 1.049 15 K CA 1.935 58.235 56.287 0.021 0.000 0.933 15 K CB -0.520 31.995 32.500 0.024 0.000 0.714 15 K HN 0.494 nan 8.250 nan 0.000 0.438 16 M N 0.352 119.986 119.600 0.057 0.000 2.065 16 M HA -0.218 4.262 4.480 -0.000 0.000 0.259 16 M C 2.299 178.617 176.300 0.031 0.000 1.069 16 M CA 1.361 56.691 55.300 0.050 0.000 1.110 16 M CB -0.366 32.261 32.600 0.045 0.000 1.328 16 M HN 0.040 nan 8.290 nan 0.000 0.405 17 L N 0.338 121.575 121.223 0.022 0.000 2.012 17 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 17 L C 2.447 179.326 176.870 0.015 0.000 1.073 17 L CA 1.922 56.772 54.840 0.016 0.000 0.748 17 L CB -0.731 41.334 42.059 0.011 0.000 0.891 17 L HN 0.166 nan 8.230 nan 0.000 0.431 18 R N -0.166 120.343 120.500 0.015 0.000 2.133 18 R HA -0.189 4.151 4.340 -0.000 0.000 0.245 18 R C 2.143 178.453 176.300 0.017 0.000 1.137 18 R CA 2.087 58.196 56.100 0.015 0.000 0.947 18 R CB -1.419 28.891 30.300 0.016 0.000 0.865 18 R HN 0.520 nan 8.270 nan 0.000 0.437 19 G N -0.215 108.600 108.800 0.024 0.000 2.511 19 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 19 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 19 G C 1.524 176.432 174.900 0.014 0.000 1.218 19 G CA 1.864 46.977 45.100 0.022 0.000 0.788 19 G HN 0.433 nan 8.290 nan 0.000 0.560 20 V N -0.006 119.917 119.914 0.014 0.000 2.453 20 V HA -0.258 3.862 4.120 -0.000 0.000 0.252 20 V C 2.307 178.406 176.094 0.008 0.000 1.068 20 V CA 2.481 64.787 62.300 0.010 0.000 1.070 20 V CB -0.713 31.118 31.823 0.012 0.000 0.664 20 V HN 0.268 nan 8.190 nan 0.000 0.461 21 N N 0.992 119.698 118.700 0.009 0.000 2.106 21 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 21 N C 1.859 177.372 175.510 0.005 0.000 1.029 21 N CA 1.918 54.973 53.050 0.007 0.000 0.848 21 N CB -0.642 37.850 38.487 0.007 0.000 1.007 21 N HN 0.545 nan 8.380 nan 0.000 0.423 22 V N 1.954 121.872 119.914 0.006 0.000 2.214 22 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 22 V C 2.489 178.584 176.094 0.002 0.000 1.051 22 V CA 1.486 63.788 62.300 0.004 0.000 1.003 22 V CB -0.945 30.880 31.823 0.004 0.000 0.635 22 V HN 0.185 nan 8.190 nan 0.000 0.447 23 L N 0.833 122.057 121.223 0.001 0.000 2.051 23 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 23 L C 2.408 179.277 176.870 -0.001 0.000 1.076 23 L CA 2.592 57.431 54.840 -0.001 0.000 0.758 23 L CB -1.060 40.998 42.059 -0.002 0.000 0.890 23 L HN 0.299 nan 8.230 nan 0.000 0.433 24 A N -1.179 121.642 122.820 0.002 0.000 1.898 24 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 24 A C 1.889 179.474 177.584 0.002 0.000 1.181 24 A CA 1.763 53.802 52.037 0.003 0.000 0.620 24 A CB -0.705 18.298 19.000 0.005 0.000 0.819 24 A HN 0.547 nan 8.150 nan 0.000 0.442 25 D N -0.118 120.283 120.400 0.002 0.000 2.289 25 D HA 0.171 4.811 4.640 -0.000 0.000 0.207 25 D C 2.039 178.340 176.300 0.000 0.000 0.966 25 D CA 1.034 55.035 54.000 0.002 0.000 0.868 25 D CB -0.269 40.532 40.800 0.002 0.000 0.943 25 D HN 0.410 nan 8.370 nan 0.000 0.514 26 A N 0.538 123.358 122.820 -0.001 0.000 1.841 26 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 26 A C 2.334 179.916 177.584 -0.003 0.000 1.195 26 A CA 1.235 53.271 52.037 -0.002 0.000 0.611 26 A CB -0.762 18.236 19.000 -0.004 0.000 0.835 26 A HN 0.142 nan 8.150 nan 0.000 0.443 27 V N 1.425 121.338 119.914 -0.003 0.000 2.667 27 V HA -0.214 3.906 4.120 -0.000 0.000 0.252 27 V C 2.440 178.533 176.094 -0.002 0.000 1.065 27 V CA 2.074 64.372 62.300 -0.004 0.000 1.083 27 V CB -0.799 31.021 31.823 -0.005 0.000 0.692 27 V HN 0.828 nan 8.190 nan 0.000 0.468 28 K N 1.386 121.786 120.400 0.000 0.000 2.288 28 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 28 K C 1.900 178.501 176.600 0.002 0.000 1.048 28 K CA 1.615 57.903 56.287 0.002 0.000 0.956 28 K CB -0.705 31.797 32.500 0.003 0.000 0.746 28 K HN 0.471 nan 8.250 nan 0.000 0.461 29 V N 0.429 120.343 119.914 0.001 0.000 2.626 29 V HA -0.202 3.918 4.120 -0.000 0.000 0.252 29 V C 2.469 178.563 176.094 -0.000 0.000 1.067 29 V CA 1.916 64.217 62.300 0.001 0.000 1.081 29 V CB -1.290 30.533 31.823 0.000 0.000 0.686 29 V HN 0.556 nan 8.190 nan 0.000 0.468 30 T N -1.996 112.557 114.554 -0.002 0.000 3.014 30 T HA 0.125 4.475 4.350 -0.000 0.000 0.263 30 T C 0.823 175.521 174.700 -0.004 0.000 1.078 30 T CA 0.148 62.246 62.100 -0.004 0.000 1.135 30 T CB -0.388 68.477 68.868 -0.005 0.000 0.895 30 T HN 0.336 nan 8.240 nan 0.000 0.480 31 L N 2.635 123.857 121.223 -0.002 0.000 2.529 31 L HA 0.417 4.757 4.340 -0.000 0.000 0.287 31 L C 1.018 177.886 176.870 -0.003 0.000 1.241 31 L CA 1.757 56.595 54.840 -0.002 0.000 0.857 31 L CB -0.806 41.254 42.059 0.001 0.000 1.113 31 L HN 0.868 nan 8.230 nan 0.000 0.504 32 G N 3.417 112.213 108.800 -0.006 0.000 2.756 32 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.678 32 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.678 32 G C -1.948 172.942 174.900 -0.016 0.000 1.349 32 G CA -0.370 44.723 45.100 -0.010 0.000 0.847 32 G HN 0.572 nan 8.290 nan 0.000 0.548 33 P HA 0.083 nan 4.420 nan 0.000 0.222 33 P C 0.988 178.276 177.300 -0.021 0.000 1.147 33 P CA 1.191 64.273 63.100 -0.030 0.000 0.790 33 P CB 0.174 31.845 31.700 -0.048 0.000 0.780 34 K N -0.199 120.193 120.400 -0.013 0.000 2.861 34 K HA 0.304 4.624 4.320 -0.000 0.000 0.210 34 K C 0.823 177.422 176.600 -0.002 0.000 1.112 34 K CA -0.182 56.101 56.287 -0.006 0.000 1.076 34 K CB 0.580 33.081 32.500 0.001 0.000 0.853 34 K HN 0.031 nan 8.250 nan 0.000 0.463 35 G N 1.100 109.897 108.800 -0.004 0.000 2.664 35 G HA2 0.112 4.072 3.960 -0.000 0.000 0.242 35 G HA3 0.112 4.072 3.960 -0.000 0.000 0.242 35 G C 0.026 174.924 174.900 -0.002 0.000 1.225 35 G CA -0.375 44.723 45.100 -0.003 0.000 0.849 35 G HN 0.099 nan 8.290 nan 0.000 0.581 36 R N 0.049 120.548 120.500 -0.002 0.000 2.668 36 R HA 0.219 4.559 4.340 -0.000 0.000 0.279 36 R C -0.215 176.083 176.300 -0.002 0.000 0.976 36 R CA -0.812 55.288 56.100 -0.001 0.000 0.978 36 R CB 1.177 31.477 30.300 -0.000 0.000 1.133 36 R HN 0.648 nan 8.270 nan 0.000 0.484 37 N N -0.238 118.460 118.700 -0.002 0.000 2.518 37 N HA 0.184 4.924 4.740 -0.000 0.000 0.266 37 N C -0.712 174.796 175.510 -0.003 0.000 1.196 37 N CA -0.129 52.920 53.050 -0.003 0.000 0.947 37 N CB 0.969 39.455 38.487 -0.002 0.000 1.098 37 N HN 0.118 nan 8.380 nan 0.000 0.450 38 V N 2.161 122.073 119.914 -0.003 0.000 2.555 38 V HA 0.314 4.434 4.120 -0.000 0.000 0.302 38 V C -0.216 175.876 176.094 -0.003 0.000 1.038 38 V CA -0.835 61.463 62.300 -0.004 0.000 0.887 38 V CB 1.918 33.739 31.823 -0.005 0.000 0.991 38 V HN 0.314 nan 8.190 nan 0.000 0.434 39 V N 6.128 126.040 119.914 -0.003 0.000 2.304 39 V HA 0.370 4.490 4.120 -0.000 0.000 0.269 39 V C -0.048 176.044 176.094 -0.004 0.000 1.036 39 V CA -0.311 61.987 62.300 -0.003 0.000 0.840 39 V CB 0.744 32.566 31.823 -0.002 0.000 1.036 39 V HN 0.610 nan 8.190 nan 0.000 0.466 40 L N 3.563 124.784 121.223 -0.004 0.000 2.349 40 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 40 L C 0.167 177.035 176.870 -0.003 0.000 1.115 40 L CA -0.220 54.617 54.840 -0.005 0.000 0.820 40 L CB 0.773 42.829 42.059 -0.005 0.000 1.135 40 L HN 0.449 nan 8.230 nan 0.000 0.445 41 D N 2.730 123.126 120.400 -0.007 0.000 2.210 41 D HA 0.250 4.890 4.640 -0.000 0.000 0.249 41 D C -0.698 175.597 176.300 -0.008 0.000 1.078 41 D CA -0.307 53.687 54.000 -0.009 0.000 0.875 41 D CB 1.065 41.854 40.800 -0.017 0.000 1.175 41 D HN 0.316 nan 8.370 nan 0.000 0.440 42 K N 1.745 122.145 120.400 0.000 0.000 2.339 42 K HA 0.188 4.508 4.320 -0.000 0.000 0.264 42 K C 1.284 177.873 176.600 -0.018 0.000 0.986 42 K CA -0.428 55.867 56.287 0.014 0.000 0.866 42 K CB 1.370 33.900 32.500 0.051 0.000 1.103 42 K HN 0.400 nan 8.250 nan 0.000 0.441 43 S N 2.591 118.239 115.700 -0.087 0.000 2.400 43 S HA -0.198 4.272 4.470 -0.000 0.000 0.234 43 S C 0.565 174.982 174.600 -0.305 0.000 1.049 43 S CA 1.173 59.225 58.200 -0.246 0.000 1.039 43 S CB -0.461 62.499 63.200 -0.400 0.000 0.856 43 S HN 0.384 nan 8.310 nan 0.000 0.465 44 F N 2.778 122.725 119.950 -0.004 0.000 2.410 44 F HA 0.623 5.150 4.527 -0.000 0.000 0.349 44 F C 1.493 177.290 175.800 -0.004 0.000 1.117 44 F CA 0.089 58.086 58.000 -0.004 0.000 1.104 44 F CB 0.831 39.829 39.000 -0.004 0.000 1.122 44 F HN 0.461 nan 8.300 nan 0.000 0.483 45 G N 1.763 110.664 108.800 0.169 0.000 2.527 45 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.268 45 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.268 45 G C -0.337 174.597 174.900 0.056 0.000 1.175 45 G CA -0.403 44.755 45.100 0.097 0.000 0.962 45 G HN 1.113 nan 8.290 nan 0.000 0.560 46 A N 1.920 124.767 122.820 0.044 0.000 2.316 46 A HA 0.783 5.103 4.320 -0.000 0.000 0.284 46 A C -1.593 176.006 177.584 0.025 0.000 1.115 46 A CA -0.293 51.760 52.037 0.027 0.000 0.812 46 A CB 0.692 19.704 19.000 0.021 0.000 1.064 46 A HN 0.823 nan 8.150 nan 0.000 0.489 47 P HA 0.307 nan 4.420 nan 0.000 0.288 47 P C -0.402 176.903 177.300 0.009 0.000 1.267 47 P CA -0.133 62.974 63.100 0.011 0.000 0.815 47 P CB 0.808 32.510 31.700 0.004 0.000 0.989 48 T N 2.909 117.468 114.554 0.008 0.000 2.930 48 T HA 0.340 4.690 4.350 -0.000 0.000 0.306 48 T C 0.561 175.262 174.700 0.002 0.000 1.045 48 T CA 0.142 62.245 62.100 0.005 0.000 1.134 48 T CB -0.137 68.734 68.868 0.004 0.000 0.961 48 T HN 0.231 nan 8.240 nan 0.000 0.545 49 I N 1.952 122.522 120.570 0.001 0.000 2.447 49 I HA 0.529 4.699 4.170 -0.000 0.000 0.287 49 I C 0.152 176.268 176.117 -0.002 0.000 1.023 49 I CA -0.538 60.761 61.300 -0.001 0.000 1.083 49 I CB 2.125 40.125 38.000 -0.000 0.000 1.245 49 I HN 0.560 nan 8.210 nan 0.000 0.434 50 T N 3.936 118.488 114.554 -0.004 0.000 2.923 50 T HA 0.423 4.773 4.350 -0.000 0.000 0.311 50 T C -0.311 174.385 174.700 -0.006 0.000 1.183 50 T CA -0.632 61.465 62.100 -0.005 0.000 1.020 50 T CB 1.554 70.418 68.868 -0.006 0.000 1.165 50 T HN 0.662 nan 8.240 nan 0.000 0.482 51 K N 2.042 122.438 120.400 -0.007 0.000 2.593 51 K HA 0.244 4.564 4.320 -0.000 0.000 0.208 51 K C -0.670 175.924 176.600 -0.009 0.000 1.051 51 K CA -0.378 55.905 56.287 -0.007 0.000 1.111 51 K CB 0.442 32.938 32.500 -0.007 0.000 0.849 51 K HN 0.395 nan 8.250 nan 0.000 0.479 52 D N -0.131 120.263 120.400 -0.010 0.000 2.317 52 D HA 0.135 4.775 4.640 -0.000 0.000 0.234 52 D C 1.171 177.463 176.300 -0.013 0.000 1.112 52 D CA -0.208 53.785 54.000 -0.013 0.000 0.840 52 D CB 1.416 42.208 40.800 -0.014 0.000 1.078 52 D HN 0.179 nan 8.370 nan 0.000 0.486 53 G N 2.444 111.236 108.800 -0.014 0.000 2.422 53 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 53 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 53 G C 1.488 176.377 174.900 -0.017 0.000 1.146 53 G CA 0.907 45.999 45.100 -0.013 0.000 0.769 53 G HN 0.484 nan 8.290 nan 0.000 0.547 54 V N 1.132 121.033 119.914 -0.022 0.000 2.287 54 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 54 V C 3.017 179.096 176.094 -0.024 0.000 1.053 54 V CA 2.237 64.521 62.300 -0.027 0.000 1.027 54 V CB -0.976 30.827 31.823 -0.034 0.000 0.646 54 V HN 0.337 nan 8.190 nan 0.000 0.447 55 S N -0.016 115.671 115.700 -0.021 0.000 2.400 55 S HA -0.152 4.318 4.470 -0.000 0.000 0.232 55 S C 1.930 176.520 174.600 -0.016 0.000 1.025 55 S CA 1.623 59.812 58.200 -0.018 0.000 0.993 55 S CB -0.217 62.974 63.200 -0.015 0.000 0.808 55 S HN 0.442 nan 8.310 nan 0.000 0.478 56 V N 1.482 121.387 119.914 -0.015 0.000 2.379 56 V HA -0.018 4.102 4.120 -0.000 0.000 0.243 56 V C 2.598 178.683 176.094 -0.014 0.000 1.035 56 V CA 1.360 63.652 62.300 -0.013 0.000 1.035 56 V CB -1.228 30.589 31.823 -0.010 0.000 0.673 56 V HN 0.498 nan 8.190 nan 0.000 0.457 57 A N -0.058 122.752 122.820 -0.016 0.000 1.978 57 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 57 A C 2.405 179.976 177.584 -0.021 0.000 1.170 57 A CA 1.933 53.959 52.037 -0.018 0.000 0.636 57 A CB -0.618 18.369 19.000 -0.021 0.000 0.810 57 A HN 0.434 nan 8.150 nan 0.000 0.448 58 R N -0.445 120.041 120.500 -0.023 0.000 2.096 58 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 58 R C 0.976 177.262 176.300 -0.023 0.000 1.127 58 R CA 1.379 57.464 56.100 -0.026 0.000 0.968 58 R CB -0.068 30.215 30.300 -0.027 0.000 0.861 58 R HN 0.452 nan 8.270 nan 0.000 0.440 59 E N 0.296 120.485 120.200 -0.019 0.000 2.476 59 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 59 E C -0.154 176.437 176.600 -0.015 0.000 1.064 59 E CA 0.059 56.449 56.400 -0.016 0.000 0.866 59 E CB 0.352 30.044 29.700 -0.013 0.000 0.952 59 E HN 0.189 nan 8.360 nan 0.000 0.492 60 I N 1.962 122.523 120.570 -0.015 0.000 2.308 60 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 60 I C 0.259 176.367 176.117 -0.014 0.000 1.078 60 I CA 0.015 61.307 61.300 -0.013 0.000 1.292 60 I CB 0.158 38.151 38.000 -0.012 0.000 1.423 60 I HN -0.077 nan 8.210 nan 0.000 0.493 61 E N 6.347 126.539 120.200 -0.013 0.000 2.308 61 E HA 0.565 4.915 4.350 -0.000 0.000 0.275 61 E C -1.535 175.059 176.600 -0.010 0.000 0.890 61 E CA -0.635 55.757 56.400 -0.013 0.000 0.754 61 E CB 2.292 31.982 29.700 -0.016 0.000 1.207 61 E HN 0.413 nan 8.360 nan 0.000 0.426 62 L N 2.983 124.201 121.223 -0.008 0.000 2.352 62 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 62 L C 1.279 178.148 176.870 -0.003 0.000 1.034 62 L CA -0.299 54.539 54.840 -0.002 0.000 0.806 62 L CB 1.562 43.624 42.059 0.005 0.000 1.244 62 L HN 0.748 nan 8.230 nan 0.000 0.447 63 E N 0.284 120.485 120.200 0.002 0.000 2.230 63 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 63 E C 0.250 176.856 176.600 0.011 0.000 0.987 63 E CA 0.104 56.505 56.400 0.002 0.000 0.841 63 E CB 0.424 30.126 29.700 0.003 0.000 0.783 63 E HN 0.560 nan 8.360 nan 0.000 0.481 64 D N 0.979 121.394 120.400 0.025 0.000 2.339 64 D HA -0.027 4.612 4.640 -0.000 0.000 0.256 64 D C 0.735 177.061 176.300 0.043 0.000 1.214 64 D CA -0.053 53.978 54.000 0.052 0.000 0.877 64 D CB 1.020 41.863 40.800 0.073 0.000 1.111 64 D HN -0.057 nan 8.370 nan 0.000 0.478 65 K N 3.407 123.818 120.400 0.017 0.000 2.044 65 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 65 K C 1.904 178.425 176.600 -0.133 0.000 1.049 65 K CA 1.290 57.521 56.287 -0.093 0.000 0.927 65 K CB -0.389 31.996 32.500 -0.192 0.000 0.713 65 K HN 0.518 nan 8.250 nan 0.000 0.443 66 F N 1.656 121.591 119.950 -0.024 0.000 2.186 66 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 66 F C 2.420 178.207 175.800 -0.022 0.000 1.090 66 F CA 1.122 59.106 58.000 -0.027 0.000 1.307 66 F CB -0.246 38.736 39.000 -0.030 0.000 1.019 66 F HN 0.152 nan 8.300 nan 0.000 0.489 67 E N 0.003 120.306 120.200 0.172 0.000 2.031 67 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 67 E C 1.915 178.542 176.600 0.044 0.000 0.994 67 E CA 1.200 57.653 56.400 0.089 0.000 0.800 67 E CB -0.404 29.335 29.700 0.064 0.000 0.752 67 E HN 0.231 nan 8.360 nan 0.000 0.447 68 N N 1.135 119.848 118.700 0.021 0.000 2.064 68 N HA -0.252 4.488 4.740 -0.000 0.000 0.200 68 N C 1.762 177.266 175.510 -0.011 0.000 1.028 68 N CA 1.916 54.963 53.050 -0.006 0.000 0.880 68 N CB -0.234 38.236 38.487 -0.027 0.000 1.062 68 N HN 0.093 nan 8.380 nan 0.000 0.454 69 M N -0.675 118.911 119.600 -0.024 0.000 2.089 69 M HA -0.156 4.324 4.480 -0.000 0.000 0.257 69 M C 2.229 178.528 176.300 -0.002 0.000 1.071 69 M CA 2.074 57.356 55.300 -0.029 0.000 1.096 69 M CB -0.883 31.683 32.600 -0.058 0.000 1.330 69 M HN 0.374 nan 8.290 nan 0.000 0.403 70 G N -0.491 108.322 108.800 0.021 0.000 2.442 70 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 70 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 70 G C 1.572 176.479 174.900 0.011 0.000 1.141 70 G CA 1.118 46.232 45.100 0.023 0.000 0.763 70 G HN 0.573 nan 8.290 nan 0.000 0.554 71 A N -0.063 122.760 122.820 0.006 0.000 1.855 71 A HA 0.038 4.358 4.320 -0.000 0.000 0.213 71 A C 2.370 179.949 177.584 -0.008 0.000 1.195 71 A CA 1.577 53.614 52.037 0.000 0.000 0.610 71 A CB -0.362 18.638 19.000 -0.000 0.000 0.837 71 A HN 0.266 nan 8.150 nan 0.000 0.444 72 Q N -0.434 119.358 119.800 -0.013 0.000 2.181 72 Q HA -0.163 4.177 4.340 -0.000 0.000 0.205 72 Q C 2.106 178.093 176.000 -0.021 0.000 0.980 72 Q CA 1.522 57.313 55.803 -0.020 0.000 0.862 72 Q CB -0.501 28.222 28.738 -0.025 0.000 0.905 72 Q HN 0.754 nan 8.270 nan 0.000 0.429 73 M N 0.025 119.616 119.600 -0.015 0.000 2.117 73 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 73 M C 2.325 178.617 176.300 -0.013 0.000 1.065 73 M CA 1.511 56.804 55.300 -0.012 0.000 1.114 73 M CB -0.350 32.249 32.600 -0.003 0.000 1.361 73 M HN 0.154 nan 8.290 nan 0.000 0.408 74 V N -2.100 117.809 119.914 -0.008 0.000 2.488 74 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 74 V C 2.132 178.212 176.094 -0.023 0.000 1.046 74 V CA 1.430 63.726 62.300 -0.007 0.000 1.053 74 V CB -1.036 30.788 31.823 0.002 0.000 0.679 74 V HN 0.381 nan 8.190 nan 0.000 0.458 75 K N 0.698 121.083 120.400 -0.024 0.000 1.988 75 K HA -0.322 3.998 4.320 -0.000 0.000 0.221 75 K C 2.432 179.001 176.600 -0.052 0.000 1.053 75 K CA 2.535 58.802 56.287 -0.033 0.000 0.959 75 K CB -0.478 32.005 32.500 -0.029 0.000 0.728 75 K HN 0.629 nan 8.250 nan 0.000 0.447 76 E N 0.079 120.248 120.200 -0.053 0.000 2.097 76 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 76 E C 1.770 178.299 176.600 -0.118 0.000 1.000 76 E CA 1.676 58.032 56.400 -0.073 0.000 0.804 76 E CB 0.087 29.753 29.700 -0.056 0.000 0.740 76 E HN 0.238 nan 8.360 nan 0.000 0.454 77 V N 0.657 120.505 119.914 -0.111 0.000 2.970 77 V HA -0.129 3.991 4.120 -0.000 0.000 0.260 77 V C 2.190 178.151 176.094 -0.222 0.000 1.100 77 V CA 1.278 63.474 62.300 -0.174 0.000 1.122 77 V CB -0.266 31.524 31.823 -0.054 0.000 0.721 77 V HN 0.325 nan 8.190 nan 0.000 0.483 78 A N 0.876 123.619 122.820 -0.127 0.000 1.935 78 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 78 A C 2.467 179.981 177.584 -0.116 0.000 1.178 78 A CA 1.446 53.428 52.037 -0.091 0.000 0.640 78 A CB -0.507 18.466 19.000 -0.044 0.000 0.825 78 A HN 0.618 nan 8.150 nan 0.000 0.447 79 S N 0.399 116.024 115.700 -0.124 0.000 2.447 79 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 79 S C 1.675 176.181 174.600 -0.158 0.000 1.006 79 S CA 1.318 59.450 58.200 -0.114 0.000 0.957 79 S CB -0.309 62.838 63.200 -0.088 0.000 0.773 79 S HN 0.594 nan 8.310 nan 0.000 0.507 80 K N 1.630 121.861 120.400 -0.281 0.000 2.148 80 K HA 0.129 4.449 4.320 -0.000 0.000 0.204 80 K C 2.423 178.849 176.600 -0.290 0.000 1.050 80 K CA 1.058 57.108 56.287 -0.395 0.000 0.942 80 K CB -0.435 31.576 32.500 -0.815 0.000 0.724 80 K HN 0.489 nan 8.250 nan 0.000 0.446 81 A N 1.238 123.923 122.820 -0.225 0.000 2.015 81 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 81 A C 1.798 179.410 177.584 0.046 0.000 1.163 81 A CA 1.610 53.701 52.037 0.090 0.000 0.646 81 A CB -0.443 18.646 19.000 0.149 0.000 0.806 81 A HN 0.303 nan 8.150 nan 0.000 0.448 82 N N -0.723 117.961 118.700 -0.026 0.000 2.395 82 N HA -0.062 4.678 4.740 -0.000 0.000 0.175 82 N C 0.963 176.435 175.510 -0.063 0.000 1.029 82 N CA 0.782 53.806 53.050 -0.043 0.000 0.897 82 N CB 0.050 38.499 38.487 -0.064 0.000 0.991 82 N HN 0.305 nan 8.380 nan 0.000 0.441 83 D N 0.036 120.408 120.400 -0.047 0.000 2.097 83 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 83 D C 1.642 177.970 176.300 0.046 0.000 0.984 83 D CA 1.078 55.062 54.000 -0.027 0.000 0.826 83 D CB -0.315 40.465 40.800 -0.035 0.000 0.973 83 D HN 0.333 nan 8.370 nan 0.000 0.460 84 A N -0.085 122.781 122.820 0.077 0.000 2.067 84 A HA 0.308 4.628 4.320 -0.000 0.000 0.217 84 A C 1.955 179.620 177.584 0.134 0.000 1.156 84 A CA 1.627 53.736 52.037 0.120 0.000 0.683 84 A CB 0.064 19.159 19.000 0.158 0.000 0.808 84 A HN 0.231 nan 8.150 nan 0.000 0.455 85 A N -3.179 119.709 122.820 0.113 0.000 2.009 85 A HA 0.484 4.804 4.320 -0.000 0.000 0.197 85 A C 1.777 179.426 177.584 0.108 0.000 1.471 85 A CA 1.102 53.207 52.037 0.113 0.000 0.973 85 A CB -0.065 18.984 19.000 0.082 0.000 1.020 85 A HN 1.700 nan 8.150 nan 0.000 0.476 86 G N -1.076 107.707 108.800 -0.028 0.000 2.284 86 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 86 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 86 G C -0.198 174.634 174.900 -0.113 0.000 1.009 86 G CA 0.467 45.444 45.100 -0.205 0.000 0.625 86 G HN 0.871 nan 8.290 nan 0.000 0.501 87 D N -1.463 118.915 120.400 -0.037 0.000 2.859 87 D HA 0.612 5.252 4.640 -0.000 0.000 0.223 87 D C 0.661 176.961 176.300 -0.000 0.000 1.218 87 D CA 0.783 54.769 54.000 -0.023 0.000 0.850 87 D CB 1.023 41.815 40.800 -0.012 0.000 1.656 87 D HN 1.123 nan 8.370 nan 0.000 0.484 88 G N 1.143 109.943 108.800 -0.001 0.000 3.578 88 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 88 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 88 G C 1.065 175.972 174.900 0.012 0.000 0.933 88 G CA 0.417 45.526 45.100 0.015 0.000 0.847 88 G HN 0.499 nan 8.290 nan 0.000 0.612 89 T N 1.787 116.338 114.554 -0.005 0.000 2.788 89 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 89 T C 2.591 177.288 174.700 -0.005 0.000 1.044 89 T CA 2.252 64.345 62.100 -0.011 0.000 1.139 89 T CB -0.394 68.457 68.868 -0.028 0.000 0.867 89 T HN 0.387 nan 8.240 nan 0.000 0.454 90 T N 1.921 116.472 114.554 -0.005 0.000 2.684 90 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 90 T C 2.270 176.973 174.700 0.004 0.000 1.036 90 T CA 1.742 63.840 62.100 -0.002 0.000 1.148 90 T CB -0.741 68.124 68.868 -0.004 0.000 0.863 90 T HN 0.429 nan 8.240 nan 0.000 0.436 91 T N 1.940 116.500 114.554 0.009 0.000 2.812 91 T HA 0.141 4.491 4.350 -0.000 0.000 0.264 91 T C 2.489 177.202 174.700 0.022 0.000 1.042 91 T CA 0.913 63.022 62.100 0.015 0.000 1.140 91 T CB -0.525 68.353 68.868 0.017 0.000 0.870 91 T HN 0.429 nan 8.240 nan 0.000 0.445 92 A N 1.688 124.526 122.820 0.029 0.000 1.969 92 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 92 A C 2.519 180.121 177.584 0.031 0.000 1.169 92 A CA 1.862 53.924 52.037 0.041 0.000 0.635 92 A CB -1.221 17.817 19.000 0.064 0.000 0.810 92 A HN 0.483 nan 8.150 nan 0.000 0.445 93 T N 0.323 114.889 114.554 0.019 0.000 2.708 93 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 93 T C 1.995 176.704 174.700 0.014 0.000 1.037 93 T CA 2.077 64.185 62.100 0.013 0.000 1.146 93 T CB -0.997 67.874 68.868 0.005 0.000 0.865 93 T HN 0.673 nan 8.240 nan 0.000 0.435 94 V N 0.512 120.433 119.914 0.013 0.000 2.490 94 V HA -0.087 4.033 4.120 -0.000 0.000 0.250 94 V C 2.280 178.382 176.094 0.015 0.000 1.061 94 V CA 1.398 63.705 62.300 0.012 0.000 1.064 94 V CB -1.267 30.562 31.823 0.010 0.000 0.670 94 V HN 0.397 nan 8.190 nan 0.000 0.461 95 L N 0.761 121.995 121.223 0.018 0.000 1.988 95 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 95 L C 3.063 179.946 176.870 0.022 0.000 1.071 95 L CA 1.778 56.631 54.840 0.021 0.000 0.744 95 L CB -0.946 41.129 42.059 0.026 0.000 0.893 95 L HN 0.380 nan 8.230 nan 0.000 0.433 96 A N -0.859 121.977 122.820 0.026 0.000 1.972 96 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 96 A C 2.233 179.829 177.584 0.020 0.000 1.169 96 A CA 1.725 53.777 52.037 0.026 0.000 0.635 96 A CB -0.575 18.443 19.000 0.029 0.000 0.810 96 A HN 0.514 nan 8.150 nan 0.000 0.446 97 Q N -0.416 119.393 119.800 0.017 0.000 1.948 97 Q HA -0.205 4.135 4.340 -0.000 0.000 0.205 97 Q C 2.320 178.328 176.000 0.013 0.000 0.992 97 Q CA 1.940 57.751 55.803 0.014 0.000 0.849 97 Q CB -0.446 28.299 28.738 0.011 0.000 0.918 97 Q HN 0.577 nan 8.270 nan 0.000 0.421 98 A N 0.960 123.788 122.820 0.013 0.000 1.906 98 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 98 A C 2.025 179.617 177.584 0.013 0.000 1.282 98 A CA 2.367 54.411 52.037 0.012 0.000 0.675 98 A CB -1.230 17.777 19.000 0.013 0.000 0.838 98 A HN 0.553 nan 8.150 nan 0.000 0.469 99 I N -0.727 119.852 120.570 0.015 0.000 2.142 99 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 99 I C 2.372 178.497 176.117 0.015 0.000 1.078 99 I CA 1.585 62.894 61.300 0.015 0.000 1.343 99 I CB -0.385 37.625 38.000 0.017 0.000 1.046 99 I HN 0.322 nan 8.210 nan 0.000 0.405 100 I N 0.365 120.944 120.570 0.016 0.000 2.286 100 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 100 I C 2.513 178.638 176.117 0.013 0.000 1.115 100 I CA 1.397 62.706 61.300 0.015 0.000 1.392 100 I CB -0.585 37.425 38.000 0.017 0.000 1.065 100 I HN 0.293 nan 8.210 nan 0.000 0.418 101 T N 0.226 114.788 114.554 0.012 0.000 2.614 101 T HA -0.169 4.181 4.350 -0.000 0.000 0.263 101 T C 1.807 176.513 174.700 0.009 0.000 1.055 101 T CA 1.254 63.359 62.100 0.010 0.000 1.162 101 T CB -0.247 68.626 68.868 0.009 0.000 0.863 101 T HN 0.267 nan 8.240 nan 0.000 0.414 102 E N 0.788 120.993 120.200 0.009 0.000 2.153 102 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 102 E C 2.467 179.072 176.600 0.009 0.000 0.988 102 E CA 1.132 57.537 56.400 0.009 0.000 0.811 102 E CB -0.780 28.925 29.700 0.009 0.000 0.746 102 E HN 0.601 nan 8.360 nan 0.000 0.466 103 G N 0.940 109.746 108.800 0.011 0.000 2.395 103 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.214 103 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.214 103 G C 1.714 176.621 174.900 0.011 0.000 1.177 103 G CA 0.162 45.269 45.100 0.011 0.000 0.794 103 G HN 0.172 nan 8.290 nan 0.000 0.532 104 L N 0.021 121.251 121.223 0.012 0.000 2.191 104 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 104 L C 2.856 179.732 176.870 0.009 0.000 1.103 104 L CA 0.963 55.809 54.840 0.011 0.000 0.769 104 L CB -0.253 41.812 42.059 0.011 0.000 0.908 104 L HN 0.195 nan 8.230 nan 0.000 0.438 105 K N -0.080 120.324 120.400 0.008 0.000 2.148 105 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 105 K C 2.215 178.819 176.600 0.007 0.000 1.050 105 K CA 1.172 57.463 56.287 0.006 0.000 0.942 105 K CB -0.073 32.430 32.500 0.006 0.000 0.724 105 K HN 0.298 nan 8.250 nan 0.000 0.446 106 A N 0.609 123.433 122.820 0.008 0.000 1.872 106 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 106 A C 2.255 179.844 177.584 0.008 0.000 1.187 106 A CA 1.099 53.140 52.037 0.008 0.000 0.614 106 A CB -0.416 18.589 19.000 0.008 0.000 0.826 106 A HN 0.054 nan 8.150 nan 0.000 0.442 107 V N -0.015 119.905 119.914 0.010 0.000 2.358 107 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 107 V C 2.975 179.075 176.094 0.010 0.000 1.047 107 V CA 1.719 64.026 62.300 0.011 0.000 1.035 107 V CB -1.235 30.596 31.823 0.014 0.000 0.658 107 V HN 0.567 nan 8.190 nan 0.000 0.452 108 A N -0.000 122.825 122.820 0.009 0.000 2.070 108 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 108 A C 2.264 179.851 177.584 0.006 0.000 1.159 108 A CA 1.730 53.771 52.037 0.007 0.000 0.656 108 A CB -0.495 18.509 19.000 0.006 0.000 0.800 108 A HN 0.572 nan 8.150 nan 0.000 0.453 109 A N -2.056 120.767 122.820 0.006 0.000 2.123 109 A HA 0.414 4.734 4.320 -0.000 0.000 0.214 109 A C 1.695 179.282 177.584 0.004 0.000 1.152 109 A CA 1.373 53.413 52.037 0.004 0.000 0.728 109 A CB -0.433 18.569 19.000 0.004 0.000 0.814 109 A HN 1.733 nan 8.150 nan 0.000 0.464 110 G N -2.189 106.615 108.800 0.005 0.000 2.164 110 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.154 110 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.154 110 G C 0.061 174.964 174.900 0.006 0.000 1.014 110 G CA 0.008 45.112 45.100 0.005 0.000 0.683 110 G HN 0.271 nan 8.290 nan 0.000 0.500 111 M N 0.866 120.470 119.600 0.007 0.000 2.288 111 M HA 0.320 4.800 4.480 -0.000 0.000 0.334 111 M C 0.389 176.694 176.300 0.009 0.000 1.150 111 M CA -0.613 54.691 55.300 0.007 0.000 1.118 111 M CB 0.784 33.389 32.600 0.007 0.000 1.501 111 M HN 0.135 nan 8.290 nan 0.000 0.462 112 N N 2.497 121.202 118.700 0.008 0.000 2.411 112 N HA 0.149 4.889 4.740 -0.000 0.000 0.259 112 N C -2.196 173.320 175.510 0.011 0.000 1.103 112 N CA -1.372 51.684 53.050 0.010 0.000 0.954 112 N CB 1.343 39.835 38.487 0.009 0.000 1.085 112 N HN 0.274 nan 8.380 nan 0.000 0.485 113 P HA -0.104 nan 4.420 nan 0.000 0.215 113 P C 1.785 179.093 177.300 0.014 0.000 1.153 113 P CA 1.229 64.338 63.100 0.014 0.000 0.853 113 P CB 0.235 31.946 31.700 0.018 0.000 0.788 114 M N -0.532 119.076 119.600 0.013 0.000 2.080 114 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 114 M C 1.568 177.874 176.300 0.010 0.000 1.068 114 M CA 1.786 57.093 55.300 0.012 0.000 1.109 114 M CB -1.693 30.914 32.600 0.012 0.000 1.342 114 M HN 0.026 nan 8.290 nan 0.000 0.405 115 D N 0.418 120.824 120.400 0.009 0.000 2.097 115 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 115 D C 2.294 178.599 176.300 0.008 0.000 0.989 115 D CA 1.125 55.130 54.000 0.008 0.000 0.827 115 D CB -0.263 40.541 40.800 0.007 0.000 0.966 115 D HN 0.319 nan 8.370 nan 0.000 0.456 116 L N 0.967 122.195 121.223 0.009 0.000 2.042 116 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 116 L C 2.567 179.443 176.870 0.009 0.000 1.076 116 L CA 1.227 56.072 54.840 0.009 0.000 0.749 116 L CB -0.342 41.723 42.059 0.010 0.000 0.893 116 L HN -0.010 nan 8.230 nan 0.000 0.432 117 K N 0.272 120.678 120.400 0.010 0.000 2.032 117 K HA -0.249 4.071 4.320 -0.000 0.000 0.209 117 K C 2.344 178.949 176.600 0.008 0.000 1.048 117 K CA 1.547 57.840 56.287 0.011 0.000 0.927 117 K CB -0.063 32.444 32.500 0.012 0.000 0.712 117 K HN 0.087 nan 8.250 nan 0.000 0.441 118 R N -0.308 120.196 120.500 0.007 0.000 2.096 118 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 118 R C 2.339 178.642 176.300 0.004 0.000 1.127 118 R CA 1.623 57.726 56.100 0.005 0.000 0.968 118 R CB -0.520 29.783 30.300 0.005 0.000 0.861 118 R HN 0.441 nan 8.270 nan 0.000 0.440 119 G N 0.628 109.431 108.800 0.005 0.000 2.422 119 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 119 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 119 G C 1.389 176.292 174.900 0.005 0.000 1.146 119 G CA 0.862 45.965 45.100 0.005 0.000 0.769 119 G HN 0.251 nan 8.290 nan 0.000 0.547 120 I N 0.999 121.572 120.570 0.006 0.000 2.163 120 I HA -0.107 4.063 4.170 -0.000 0.000 0.240 120 I C 2.246 178.365 176.117 0.003 0.000 1.081 120 I CA 1.178 62.482 61.300 0.006 0.000 1.353 120 I CB -0.278 37.727 38.000 0.008 0.000 1.054 120 I HN 0.030 nan 8.210 nan 0.000 0.407 121 D N 1.059 121.460 120.400 0.002 0.000 2.149 121 D HA -0.225 4.415 4.640 -0.000 0.000 0.198 121 D C 2.043 178.341 176.300 -0.004 0.000 0.990 121 D CA 1.282 55.280 54.000 -0.002 0.000 0.839 121 D CB -0.255 40.543 40.800 -0.002 0.000 0.948 121 D HN 0.309 nan 8.370 nan 0.000 0.460 122 K N 0.551 120.950 120.400 -0.001 0.000 2.097 122 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 122 K C 1.998 178.597 176.600 -0.001 0.000 1.050 122 K CA 1.008 57.294 56.287 -0.001 0.000 0.938 122 K CB 0.033 32.533 32.500 0.000 0.000 0.718 122 K HN 0.019 nan 8.250 nan 0.000 0.442 123 A N 0.390 123.211 122.820 0.000 0.000 1.969 123 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 123 A C 2.088 179.672 177.584 -0.000 0.000 1.169 123 A CA 1.357 53.395 52.037 0.002 0.000 0.635 123 A CB -0.298 18.704 19.000 0.004 0.000 0.810 123 A HN 0.171 nan 8.150 nan 0.000 0.445 124 V N -0.562 119.350 119.914 -0.004 0.000 2.649 124 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 124 V C 2.602 178.688 176.094 -0.013 0.000 1.054 124 V CA 2.112 64.407 62.300 -0.009 0.000 1.073 124 V CB -0.780 31.035 31.823 -0.014 0.000 0.699 124 V HN 0.595 nan 8.190 nan 0.000 0.463 125 T N 0.727 115.274 114.554 -0.012 0.000 2.777 125 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 125 T C 2.078 176.773 174.700 -0.008 0.000 1.040 125 T CA 1.526 63.618 62.100 -0.013 0.000 1.141 125 T CB -0.335 68.526 68.868 -0.011 0.000 0.868 125 T HN 0.526 nan 8.240 nan 0.000 0.444 126 A N 1.302 124.120 122.820 -0.004 0.000 1.969 126 A HA 0.284 4.604 4.320 -0.000 0.000 0.218 126 A C 2.585 180.169 177.584 0.000 0.000 1.169 126 A CA 1.577 53.613 52.037 -0.001 0.000 0.635 126 A CB -0.917 18.084 19.000 0.001 0.000 0.810 126 A HN 0.493 nan 8.150 nan 0.000 0.445 127 A N -0.451 122.369 122.820 -0.001 0.000 1.873 127 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 127 A C 2.196 179.779 177.584 -0.001 0.000 1.186 127 A CA 1.618 53.656 52.037 0.001 0.000 0.616 127 A CB -0.960 18.041 19.000 0.001 0.000 0.823 127 A HN 0.353 nan 8.150 nan 0.000 0.442 128 V N 0.082 119.992 119.914 -0.007 0.000 2.282 128 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 128 V C 2.586 178.677 176.094 -0.005 0.000 1.057 128 V CA 2.524 64.819 62.300 -0.010 0.000 1.032 128 V CB -0.832 30.980 31.823 -0.019 0.000 0.645 128 V HN 0.566 nan 8.190 nan 0.000 0.447 129 E N -0.185 120.012 120.200 -0.004 0.000 2.110 129 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 129 E C 2.169 178.771 176.600 0.003 0.000 0.988 129 E CA 1.183 57.583 56.400 -0.001 0.000 0.804 129 E CB -0.252 29.447 29.700 -0.001 0.000 0.745 129 E HN 0.578 nan 8.360 nan 0.000 0.458 130 E N -0.492 119.710 120.200 0.005 0.000 2.208 130 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 130 E C 1.637 178.243 176.600 0.010 0.000 0.988 130 E CA 0.280 56.685 56.400 0.008 0.000 0.828 130 E CB -0.096 29.610 29.700 0.010 0.000 0.763 130 E HN 0.160 nan 8.360 nan 0.000 0.478 131 L N 0.481 121.708 121.223 0.007 0.000 2.109 131 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 131 L C 1.659 178.533 176.870 0.008 0.000 1.086 131 L CA 1.620 56.465 54.840 0.008 0.000 0.760 131 L CB -0.071 41.991 42.059 0.005 0.000 0.910 131 L HN -0.041 nan 8.230 nan 0.000 0.437 132 K N -0.923 119.480 120.400 0.005 0.000 2.217 132 K HA 0.010 4.330 4.320 -0.000 0.000 0.202 132 K C 1.987 178.591 176.600 0.008 0.000 1.051 132 K CA 0.955 57.245 56.287 0.005 0.000 0.952 132 K CB -0.175 32.327 32.500 0.003 0.000 0.736 132 K HN 0.388 nan 8.250 nan 0.000 0.453 133 A N 1.166 123.991 122.820 0.009 0.000 1.970 133 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 133 A C 1.974 179.566 177.584 0.014 0.000 1.170 133 A CA 0.731 52.774 52.037 0.010 0.000 0.645 133 A CB -0.327 18.680 19.000 0.010 0.000 0.816 133 A HN 0.214 nan 8.150 nan 0.000 0.447 134 L N -0.279 120.953 121.223 0.015 0.000 2.291 134 L HA 0.023 4.363 4.340 -0.000 0.000 0.214 134 L C 1.224 178.104 176.870 0.017 0.000 1.120 134 L CA 0.304 55.156 54.840 0.019 0.000 0.799 134 L CB -0.023 42.049 42.059 0.021 0.000 0.925 134 L HN 0.346 nan 8.230 nan 0.000 0.446 135 S N -0.070 115.638 115.700 0.014 0.000 2.498 135 S HA 0.120 4.590 4.470 -0.000 0.000 0.281 135 S C -0.210 174.396 174.600 0.011 0.000 1.265 135 S CA -0.485 57.722 58.200 0.012 0.000 1.071 135 S CB 0.420 63.625 63.200 0.009 0.000 0.894 135 S HN 0.041 nan 8.310 nan 0.000 0.491 136 V N 9.421 129.341 119.914 0.011 0.000 2.333 136 V HA 0.334 4.454 4.120 -0.000 0.000 0.274 136 V C -2.072 174.027 176.094 0.009 0.000 1.028 136 V CA -1.941 60.366 62.300 0.011 0.000 0.851 136 V CB 0.932 32.762 31.823 0.012 0.000 1.000 136 V HN 0.736 nan 8.190 nan 0.000 0.456 137 P HA 0.036 nan 4.420 nan 0.000 0.265 137 P C -0.301 177.002 177.300 0.005 0.000 1.193 137 P CA -0.050 63.053 63.100 0.006 0.000 0.765 137 P CB 0.306 32.009 31.700 0.006 0.000 0.823 138 C N 3.638 122.940 119.300 0.004 0.000 2.288 138 C HA 0.466 4.926 4.460 -0.000 0.000 0.328 138 C C 1.177 176.168 174.990 0.002 0.000 1.071 138 C CA 0.122 59.142 59.018 0.003 0.000 1.594 138 C CB -1.635 26.107 27.740 0.003 0.000 1.700 138 C HN 0.558 nan 8.230 nan 0.000 0.436 139 S N 2.293 117.994 115.700 0.001 0.000 2.783 139 S HA 0.130 4.600 4.470 -0.000 0.000 0.205 139 S C 0.344 174.943 174.600 -0.000 0.000 0.910 139 S CA 0.174 58.375 58.200 0.000 0.000 0.861 139 S CB -0.346 62.855 63.200 0.001 0.000 0.830 139 S HN 0.935 nan 8.310 nan 0.000 0.630 140 D N 2.482 122.882 120.400 0.000 0.000 2.383 140 D HA -0.011 4.629 4.640 -0.000 0.000 0.233 140 D C 1.009 177.308 176.300 -0.001 0.000 1.233 140 D CA 0.597 54.596 54.000 -0.000 0.000 0.881 140 D CB 0.233 41.033 40.800 0.000 0.000 1.212 140 D HN 0.306 nan 8.370 nan 0.000 0.467 141 S N -0.122 115.577 115.700 -0.002 0.000 2.447 141 S HA -0.206 4.264 4.470 -0.000 0.000 0.233 141 S C 1.618 176.217 174.600 -0.002 0.000 1.006 141 S CA 0.971 59.169 58.200 -0.002 0.000 0.957 141 S CB -0.296 62.902 63.200 -0.003 0.000 0.773 141 S HN 0.645 nan 8.310 nan 0.000 0.507 142 K N 2.012 122.412 120.400 -0.001 0.000 2.002 142 K HA -0.034 4.286 4.320 -0.000 0.000 0.209 142 K C 2.329 178.929 176.600 -0.000 0.000 1.048 142 K CA 1.272 57.559 56.287 -0.000 0.000 0.930 142 K CB -0.640 31.861 32.500 0.000 0.000 0.714 142 K HN 0.390 nan 8.250 nan 0.000 0.438 143 A N 1.120 123.940 122.820 0.000 0.000 1.933 143 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 143 A C 2.042 179.626 177.584 0.000 0.000 1.175 143 A CA 1.396 53.433 52.037 0.001 0.000 0.628 143 A CB -0.539 18.462 19.000 0.002 0.000 0.814 143 A HN 0.386 nan 8.150 nan 0.000 0.444 144 I N -0.424 120.146 120.570 -0.001 0.000 2.493 144 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 144 I C 2.739 178.855 176.117 -0.001 0.000 1.160 144 I CA 0.860 62.159 61.300 -0.001 0.000 1.445 144 I CB -0.143 37.855 38.000 -0.003 0.000 1.086 144 I HN 0.347 nan 8.210 nan 0.000 0.433 145 A N 0.071 122.890 122.820 -0.001 0.000 1.903 145 A HA -0.138 4.182 4.320 -0.000 0.000 0.213 145 A C 2.268 179.851 177.584 -0.001 0.000 1.185 145 A CA 0.875 52.911 52.037 -0.001 0.000 0.628 145 A CB -0.387 18.612 19.000 -0.002 0.000 0.830 145 A HN 0.369 nan 8.150 nan 0.000 0.446 146 Q N -0.341 119.459 119.800 -0.001 0.000 2.124 146 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 146 Q C 2.072 178.071 176.000 -0.002 0.000 0.977 146 Q CA 1.587 57.389 55.803 -0.001 0.000 0.850 146 Q CB -0.229 28.509 28.738 -0.001 0.000 0.901 146 Q HN 0.496 nan 8.270 nan 0.000 0.429 147 V N -0.068 119.845 119.914 -0.000 0.000 2.346 147 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 147 V C 2.207 178.302 176.094 0.002 0.000 1.037 147 V CA 1.867 64.167 62.300 0.001 0.000 1.029 147 V CB -0.960 30.865 31.823 0.003 0.000 0.663 147 V HN 0.488 nan 8.190 nan 0.000 0.454 148 G N -0.236 108.566 108.800 0.002 0.000 2.422 148 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 148 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 148 G C 1.679 176.580 174.900 0.002 0.000 1.146 148 G CA 1.596 46.698 45.100 0.003 0.000 0.769 148 G HN 0.468 nan 8.290 nan 0.000 0.547 149 T N 1.482 116.036 114.554 -0.001 0.000 2.674 149 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 149 T C 2.391 177.089 174.700 -0.003 0.000 1.039 149 T CA 1.188 63.287 62.100 -0.002 0.000 1.150 149 T CB -0.204 68.662 68.868 -0.003 0.000 0.864 149 T HN 0.260 nan 8.240 nan 0.000 0.427 150 I N 1.382 121.950 120.570 -0.004 0.000 2.226 150 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 150 I C 2.538 178.652 176.117 -0.005 0.000 1.100 150 I CA 1.064 62.360 61.300 -0.007 0.000 1.374 150 I CB -0.410 37.585 38.000 -0.008 0.000 1.057 150 I HN 0.176 nan 8.210 nan 0.000 0.413 151 S N 0.623 116.323 115.700 -0.000 0.000 2.474 151 S HA 0.006 4.476 4.470 -0.000 0.000 0.235 151 S C 1.616 176.218 174.600 0.003 0.000 0.997 151 S CA 1.000 59.202 58.200 0.004 0.000 0.949 151 S CB -0.136 63.071 63.200 0.012 0.000 0.766 151 S HN 0.533 nan 8.310 nan 0.000 0.517 152 A N 1.188 124.009 122.820 0.001 0.000 2.545 152 A HA 0.466 4.786 4.320 -0.000 0.000 0.277 152 A C 0.493 178.075 177.584 -0.003 0.000 1.301 152 A CA -0.494 51.544 52.037 0.001 0.000 0.935 152 A CB -0.430 18.570 19.000 0.002 0.000 1.093 152 A HN 0.345 nan 8.150 nan 0.000 0.519 153 N N -0.020 118.677 118.700 -0.006 0.000 2.648 153 N HA -0.210 4.530 4.740 -0.000 0.000 0.265 153 N C 0.333 175.838 175.510 -0.009 0.000 1.100 153 N CA 0.992 54.036 53.050 -0.009 0.000 0.715 153 N CB -1.735 36.747 38.487 -0.009 0.000 0.881 153 N HN 0.481 nan 8.380 nan 0.000 0.548 154 S N -1.226 114.468 115.700 -0.009 0.000 3.257 154 S HA -0.271 4.199 4.470 -0.000 0.000 0.300 154 S C -0.161 174.435 174.600 -0.007 0.000 1.275 154 S CA 1.154 59.348 58.200 -0.009 0.000 1.023 154 S CB -0.951 62.243 63.200 -0.011 0.000 1.180 154 S HN 0.833 nan 8.310 nan 0.000 0.660 155 D N 1.167 121.563 120.400 -0.005 0.000 2.411 155 D HA 0.340 4.980 4.640 -0.000 0.000 0.225 155 D C 1.039 177.337 176.300 -0.003 0.000 1.156 155 D CA -0.209 53.788 54.000 -0.004 0.000 0.874 155 D CB 0.501 41.299 40.800 -0.003 0.000 1.034 155 D HN 0.375 nan 8.370 nan 0.000 0.502 156 E N 1.133 121.331 120.200 -0.004 0.000 2.118 156 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 156 E C 1.453 178.052 176.600 -0.002 0.000 0.992 156 E CA 1.363 57.761 56.400 -0.003 0.000 0.804 156 E CB 0.154 29.852 29.700 -0.003 0.000 0.741 156 E HN 0.539 nan 8.360 nan 0.000 0.458 157 T N 0.593 115.146 114.554 -0.002 0.000 2.778 157 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 157 T C 2.024 176.723 174.700 -0.002 0.000 1.050 157 T CA 1.160 63.259 62.100 -0.002 0.000 1.137 157 T CB -0.170 68.697 68.868 -0.002 0.000 0.860 157 T HN 0.007 nan 8.240 nan 0.000 0.468 158 V N 1.250 121.163 119.914 -0.001 0.000 2.446 158 V HA 0.064 4.184 4.120 -0.000 0.000 0.244 158 V C 2.949 179.043 176.094 -0.000 0.000 1.039 158 V CA 1.506 63.806 62.300 -0.000 0.000 1.045 158 V CB -1.427 30.397 31.823 0.001 0.000 0.681 158 V HN 0.544 nan 8.190 nan 0.000 0.459 159 G N 0.044 108.843 108.800 -0.001 0.000 2.505 159 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.220 159 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.220 159 G C 1.645 176.544 174.900 -0.002 0.000 1.145 159 G CA 1.425 46.524 45.100 -0.001 0.000 0.761 159 G HN 0.481 nan 8.290 nan 0.000 0.571 160 K N -0.234 120.165 120.400 -0.002 0.000 2.057 160 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 160 K C 2.546 179.144 176.600 -0.003 0.000 1.050 160 K CA 0.643 56.928 56.287 -0.002 0.000 0.935 160 K CB -0.243 32.255 32.500 -0.002 0.000 0.715 160 K HN 0.334 nan 8.250 nan 0.000 0.439 161 L N 0.704 121.926 121.223 -0.003 0.000 2.131 161 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 161 L C 2.135 179.002 176.870 -0.004 0.000 1.092 161 L CA 1.057 55.895 54.840 -0.003 0.000 0.759 161 L CB -0.184 41.874 42.059 -0.002 0.000 0.903 161 L HN 0.242 nan 8.230 nan 0.000 0.435 162 I N -0.916 119.652 120.570 -0.004 0.000 2.296 162 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 162 I C 2.674 178.787 176.117 -0.007 0.000 1.087 162 I CA 0.932 62.228 61.300 -0.006 0.000 1.393 162 I CB -0.490 37.507 38.000 -0.004 0.000 1.093 162 I HN 0.082 nan 8.210 nan 0.000 0.421 163 A N 0.354 123.171 122.820 -0.005 0.000 2.076 163 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 163 A C 2.159 179.740 177.584 -0.005 0.000 1.160 163 A CA 1.689 53.723 52.037 -0.005 0.000 0.653 163 A CB -0.543 18.455 19.000 -0.004 0.000 0.801 163 A HN 0.487 nan 8.150 nan 0.000 0.455 164 E N -0.559 119.638 120.200 -0.005 0.000 2.042 164 E HA 0.058 4.408 4.350 -0.000 0.000 0.189 164 E C 2.436 179.032 176.600 -0.007 0.000 0.974 164 E CA 0.622 57.018 56.400 -0.005 0.000 0.806 164 E CB -0.266 29.431 29.700 -0.005 0.000 0.769 164 E HN 0.557 nan 8.360 nan 0.000 0.451 165 A N 1.488 124.303 122.820 -0.007 0.000 1.917 165 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 165 A C 2.194 179.771 177.584 -0.011 0.000 1.182 165 A CA 1.717 53.748 52.037 -0.009 0.000 0.633 165 A CB -0.554 18.440 19.000 -0.010 0.000 0.819 165 A HN 0.156 nan 8.150 nan 0.000 0.448 166 M N -1.205 118.388 119.600 -0.012 0.000 2.175 166 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 166 M C 1.964 178.258 176.300 -0.010 0.000 1.063 166 M CA 1.711 57.003 55.300 -0.013 0.000 1.119 166 M CB -0.557 32.036 32.600 -0.013 0.000 1.377 166 M HN 0.453 nan 8.290 nan 0.000 0.415 167 D N 0.976 121.371 120.400 -0.008 0.000 2.133 167 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 167 D C 1.920 178.216 176.300 -0.007 0.000 0.997 167 D CA 1.404 55.400 54.000 -0.007 0.000 0.840 167 D CB 0.112 40.909 40.800 -0.006 0.000 0.947 167 D HN 0.097 nan 8.370 nan 0.000 0.452 168 K N -0.048 120.347 120.400 -0.007 0.000 1.973 168 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 168 K C 2.315 178.911 176.600 -0.008 0.000 1.045 168 K CA 1.547 57.829 56.287 -0.007 0.000 0.937 168 K CB -0.764 31.732 32.500 -0.007 0.000 0.721 168 K HN 0.287 nan 8.250 nan 0.000 0.438 169 V N -2.457 117.452 119.914 -0.009 0.000 2.302 169 V HA 0.222 4.342 4.120 -0.000 0.000 0.243 169 V C 1.300 177.388 176.094 -0.010 0.000 1.036 169 V CA 1.258 63.553 62.300 -0.009 0.000 1.020 169 V CB -0.775 31.041 31.823 -0.012 0.000 0.657 169 V HN 0.471 nan 8.190 nan 0.000 0.453 170 G N -0.670 108.123 108.800 -0.011 0.000 2.320 170 G HA2 0.035 3.995 3.960 -0.000 0.000 0.274 170 G HA3 0.035 3.995 3.960 -0.000 0.000 0.274 170 G C 0.003 174.895 174.900 -0.013 0.000 1.324 170 G CA -0.032 45.062 45.100 -0.010 0.000 0.957 170 G HN 0.164 nan 8.290 nan 0.000 0.481 171 K N 0.000 120.394 120.400 -0.011 0.000 2.025 171 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 171 K C 1.765 178.355 176.600 -0.017 0.000 1.049 171 K CA 1.543 57.822 56.287 -0.013 0.000 0.933 171 K CB -0.042 32.453 32.500 -0.009 0.000 0.714 171 K HN 0.435 nan 8.250 nan 0.000 0.438 172 E N 0.452 120.643 120.200 -0.014 0.000 2.489 172 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 172 E C 0.706 177.294 176.600 -0.019 0.000 1.057 172 E CA 0.045 56.436 56.400 -0.016 0.000 0.866 172 E CB 0.126 29.821 29.700 -0.010 0.000 0.916 172 E HN 0.214 nan 8.360 nan 0.000 0.500 173 G N 1.682 110.470 108.800 -0.019 0.000 2.340 173 G HA2 0.176 4.136 3.960 -0.000 0.000 0.245 173 G HA3 0.176 4.136 3.960 -0.000 0.000 0.245 173 G C 0.414 175.299 174.900 -0.026 0.000 1.294 173 G CA -0.426 44.663 45.100 -0.018 0.000 0.896 173 G HN -0.061 nan 8.290 nan 0.000 0.522 174 V N 3.515 123.415 119.914 -0.023 0.000 2.557 174 V HA 0.093 4.213 4.120 -0.000 0.000 0.301 174 V C 0.538 176.614 176.094 -0.030 0.000 1.026 174 V CA 0.683 62.965 62.300 -0.030 0.000 1.137 174 V CB -0.094 31.716 31.823 -0.022 0.000 0.917 174 V HN 0.512 nan 8.190 nan 0.000 0.484 175 I N 4.333 124.879 120.570 -0.039 0.000 2.500 175 I HA 0.427 4.597 4.170 -0.000 0.000 0.286 175 I C -0.115 175.983 176.117 -0.032 0.000 1.063 175 I CA -0.220 61.061 61.300 -0.032 0.000 1.062 175 I CB 2.130 40.111 38.000 -0.032 0.000 1.223 175 I HN 0.516 nan 8.210 nan 0.000 0.435 176 T N 4.952 119.493 114.554 -0.022 0.000 2.856 176 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 176 T C -0.669 174.026 174.700 -0.009 0.000 1.008 176 T CA -0.699 61.392 62.100 -0.016 0.000 0.997 176 T CB 2.560 71.418 68.868 -0.017 0.000 0.992 176 T HN 0.345 nan 8.240 nan 0.000 0.454 177 V N 3.183 123.095 119.914 -0.003 0.000 2.540 177 V HA 0.778 4.898 4.120 -0.000 0.000 0.302 177 V C -0.777 175.318 176.094 0.001 0.000 1.035 177 V CA -0.505 61.795 62.300 -0.000 0.000 0.873 177 V CB 1.304 33.130 31.823 0.004 0.000 0.992 177 V HN 1.079 nan 8.190 nan 0.000 0.428 178 E N 3.705 123.905 120.200 -0.001 0.000 2.433 178 E HA 0.496 4.846 4.350 -0.000 0.000 0.264 178 E C -1.463 175.136 176.600 -0.002 0.000 0.960 178 E CA -1.128 55.272 56.400 -0.001 0.000 0.866 178 E CB 1.065 30.763 29.700 -0.004 0.000 1.615 178 E HN 0.501 nan 8.360 nan 0.000 0.442 179 D N 0.229 120.628 120.400 -0.002 0.000 2.449 179 D HA 0.216 4.856 4.640 -0.000 0.000 0.236 179 D C 0.125 176.423 176.300 -0.003 0.000 1.149 179 D CA 0.594 54.593 54.000 -0.003 0.000 0.878 179 D CB 1.007 41.805 40.800 -0.003 0.000 1.198 179 D HN 0.536 nan 8.370 nan 0.000 0.446 180 G N -0.687 108.111 108.800 -0.003 0.000 2.502 180 G HA2 0.349 4.309 3.960 -0.000 0.000 0.305 180 G HA3 0.349 4.309 3.960 -0.000 0.000 0.305 180 G C 0.909 175.806 174.900 -0.004 0.000 1.190 180 G CA -0.303 44.795 45.100 -0.004 0.000 0.933 180 G HN 0.436 nan 8.290 nan 0.000 0.503 181 T N -3.178 111.374 114.554 -0.004 0.000 3.037 181 T HA 0.500 4.850 4.350 -0.000 0.000 0.251 181 T C 0.967 175.665 174.700 -0.004 0.000 1.079 181 T CA 0.715 62.813 62.100 -0.004 0.000 1.067 181 T CB 0.324 69.189 68.868 -0.005 0.000 0.948 181 T HN 1.447 nan 8.240 nan 0.000 0.496 182 G N 0.634 109.432 108.800 -0.003 0.000 2.349 182 G HA2 0.425 4.385 3.960 -0.000 0.000 0.294 182 G HA3 0.425 4.385 3.960 -0.000 0.000 0.294 182 G C -1.771 173.127 174.900 -0.003 0.000 1.380 182 G CA -0.957 44.141 45.100 -0.003 0.000 0.811 182 G HN 0.271 nan 8.290 nan 0.000 0.519 183 L N 0.997 122.219 121.223 -0.003 0.000 2.638 183 L HA 0.491 4.831 4.340 -0.000 0.000 0.273 183 L C -0.308 176.561 176.870 -0.003 0.000 1.147 183 L CA 1.277 56.115 54.840 -0.003 0.000 0.941 183 L CB -0.797 41.260 42.059 -0.002 0.000 1.251 183 L HN 0.816 nan 8.230 nan 0.000 0.479 184 Q N 3.120 122.918 119.800 -0.003 0.000 3.191 184 Q HA 0.095 4.435 4.340 -0.000 0.000 0.172 184 Q C -1.831 174.168 176.000 -0.003 0.000 1.015 184 Q CA -0.540 55.261 55.803 -0.003 0.000 1.081 184 Q CB 0.707 29.443 28.738 -0.003 0.000 2.182 184 Q HN 0.640 nan 8.270 nan 0.000 0.576 185 D N 2.779 123.177 120.400 -0.003 0.000 2.233 185 D HA 0.269 4.909 4.640 -0.000 0.000 0.240 185 D C -0.697 175.601 176.300 -0.003 0.000 1.074 185 D CA -0.145 53.853 54.000 -0.003 0.000 0.838 185 D CB 1.389 42.188 40.800 -0.003 0.000 1.124 185 D HN 0.294 nan 8.370 nan 0.000 0.475 186 E N 1.026 121.223 120.200 -0.004 0.000 2.195 186 E HA 0.482 4.832 4.350 -0.000 0.000 0.271 186 E C -0.949 175.648 176.600 -0.005 0.000 0.923 186 E CA -0.983 55.414 56.400 -0.004 0.000 0.790 186 E CB 2.385 32.083 29.700 -0.005 0.000 1.155 186 E HN 0.098 nan 8.360 nan 0.000 0.402 187 L N 3.158 124.378 121.223 -0.005 0.000 2.404 187 L HA 0.439 4.779 4.340 -0.000 0.000 0.272 187 L C -1.749 175.117 176.870 -0.006 0.000 0.980 187 L CA -0.339 54.498 54.840 -0.006 0.000 0.836 187 L CB 1.484 43.540 42.059 -0.006 0.000 1.238 187 L HN 0.396 nan 8.230 nan 0.000 0.408 188 D N 4.362 124.758 120.400 -0.006 0.000 2.736 188 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 188 D C -0.843 175.453 176.300 -0.007 0.000 1.304 188 D CA -0.147 53.849 54.000 -0.006 0.000 0.934 188 D CB 2.757 43.553 40.800 -0.007 0.000 1.382 188 D HN 0.199 nan 8.370 nan 0.000 0.571 189 V N 2.601 122.511 119.914 -0.006 0.000 2.439 189 V HA 0.218 4.338 4.120 -0.000 0.000 0.271 189 V C 0.849 176.940 176.094 -0.006 0.000 1.040 189 V CA -0.349 61.947 62.300 -0.006 0.000 1.002 189 V CB 0.826 32.645 31.823 -0.006 0.000 1.000 189 V HN 0.368 nan 8.190 nan 0.000 0.477 190 V N 2.377 122.288 119.914 -0.006 0.000 3.096 190 V HA 0.625 4.745 4.120 -0.000 0.000 0.319 190 V C 0.110 176.203 176.094 -0.003 0.000 1.103 190 V CA -1.068 61.229 62.300 -0.005 0.000 1.016 190 V CB 1.900 33.719 31.823 -0.007 0.000 1.090 190 V HN 0.687 nan 8.190 nan 0.000 0.449 191 E N 1.949 122.148 120.200 -0.002 0.000 1.985 191 E HA 0.465 4.815 4.350 -0.000 0.000 0.268 191 E C 0.180 176.783 176.600 0.005 0.000 1.219 191 E CA 0.530 56.931 56.400 0.001 0.000 0.942 191 E CB 0.649 30.349 29.700 0.000 0.000 1.045 191 E HN 1.024 nan 8.360 nan 0.000 0.413 192 G N 1.876 110.681 108.800 0.008 0.000 2.694 192 G HA2 0.723 4.683 3.960 -0.000 0.000 0.290 192 G HA3 0.723 4.683 3.960 -0.000 0.000 0.290 192 G C -0.980 173.935 174.900 0.026 0.000 1.386 192 G CA -0.569 44.540 45.100 0.015 0.000 0.872 192 G HN 0.344 nan 8.290 nan 0.000 0.475 193 M N 0.053 119.679 119.600 0.043 0.000 2.534 193 M HA 0.466 4.946 4.480 -0.000 0.000 0.280 193 M C -2.041 174.314 176.300 0.091 0.000 1.217 193 M CA -0.642 54.701 55.300 0.071 0.000 0.893 193 M CB 2.710 35.367 32.600 0.095 0.000 1.730 193 M HN 0.686 nan 8.290 nan 0.000 0.483 194 Q N 3.157 123.015 119.800 0.097 0.000 2.359 194 Q HA 0.714 5.054 4.340 -0.000 0.000 0.274 194 Q C -2.136 173.950 176.000 0.143 0.000 1.074 194 Q CA -0.624 55.200 55.803 0.035 0.000 0.810 194 Q CB 2.471 31.182 28.738 -0.043 0.000 1.342 194 Q HN 0.603 nan 8.270 nan 0.000 0.427 195 F N -0.423 119.523 119.950 -0.007 0.000 2.650 195 F HA 0.545 5.072 4.527 -0.000 0.000 0.320 195 F C -0.529 175.268 175.800 -0.005 0.000 1.091 195 F CA -1.199 56.798 58.000 -0.004 0.000 0.962 195 F CB 0.953 39.952 39.000 -0.001 0.000 1.363 195 F HN 0.321 nan 8.300 nan 0.000 0.482 196 D N 1.954 122.478 120.400 0.206 0.000 3.085 196 D HA 0.191 4.831 4.640 -0.000 0.000 0.243 196 D C -0.373 175.993 176.300 0.111 0.000 1.232 196 D CA 0.244 54.300 54.000 0.094 0.000 0.913 196 D CB -0.197 40.660 40.800 0.096 0.000 1.108 196 D HN 0.279 nan 8.370 nan 0.000 0.468 197 R N 0.260 120.805 120.500 0.076 0.000 2.531 197 R HA 0.442 4.782 4.340 -0.000 0.000 0.293 197 R C 0.382 176.639 176.300 -0.071 0.000 1.124 197 R CA -0.608 55.546 56.100 0.090 0.000 0.945 197 R CB 1.780 32.277 30.300 0.329 0.000 1.195 197 R HN 0.136 nan 8.270 nan 0.000 0.433 198 G N 1.340 110.058 108.800 -0.138 0.000 2.509 198 G HA2 0.344 4.304 3.960 -0.000 0.000 0.269 198 G HA3 0.344 4.304 3.960 -0.000 0.000 0.269 198 G C -0.493 174.296 174.900 -0.184 0.000 1.416 198 G CA -0.442 44.487 45.100 -0.286 0.000 1.052 198 G HN 0.445 nan 8.290 nan 0.000 0.542 199 Y N -1.353 118.981 120.300 0.057 0.000 2.480 199 Y HA 0.388 4.938 4.550 -0.000 0.000 0.338 199 Y C 1.322 177.317 175.900 0.159 0.000 1.220 199 Y CA -1.034 57.136 58.100 0.117 0.000 1.430 199 Y CB 0.507 39.090 38.460 0.204 0.000 1.311 199 Y HN 0.171 nan 8.280 nan 0.000 0.575 200 L N 1.235 122.702 121.223 0.408 0.000 2.376 200 L HA 0.029 4.369 4.340 -0.000 0.000 0.219 200 L C 0.745 177.848 176.870 0.389 0.000 1.133 200 L CA 1.194 56.231 54.840 0.328 0.000 0.816 200 L CB -0.053 42.165 42.059 0.265 0.000 0.933 200 L HN 0.805 nan 8.230 nan 0.000 0.449 201 S N -2.563 113.467 115.700 0.550 0.000 2.537 201 S HA 0.433 4.903 4.470 -0.000 0.000 0.271 201 S C -2.564 172.071 174.600 0.058 0.000 1.148 201 S CA -1.207 57.159 58.200 0.277 0.000 0.868 201 S CB 1.562 64.824 63.200 0.103 0.000 1.115 201 S HN -0.298 nan 8.310 nan 0.000 0.461 202 P HA 0.291 nan 4.420 nan 0.000 0.300 202 P C -0.120 176.829 177.300 -0.586 0.000 1.294 202 P CA 0.508 63.225 63.100 -0.638 0.000 0.757 202 P CB -0.015 31.264 31.700 -0.702 0.000 1.377 203 Y N -5.192 114.889 120.300 -0.364 0.000 4.138 203 Y HA -0.277 4.273 4.550 -0.000 0.000 0.347 203 Y C 1.685 177.415 175.900 -0.283 0.000 1.116 203 Y CA 1.113 59.016 58.100 -0.328 0.000 2.132 203 Y CB -3.140 35.090 38.460 -0.384 0.000 0.967 203 Y HN 0.135 nan 8.280 nan 0.000 0.470 204 F N 0.108 120.030 119.950 -0.047 0.000 2.407 204 F HA 0.088 4.615 4.527 0.000 0.000 0.299 204 F C 1.407 177.143 175.800 -0.106 0.000 1.097 204 F CA 0.162 58.127 58.000 -0.058 0.000 1.422 204 F CB -0.349 38.620 39.000 -0.052 0.000 1.067 204 F HN -0.047 nan 8.300 nan 0.000 0.539 205 I N 2.565 123.092 120.570 -0.072 0.000 2.460 205 I HA -0.079 4.091 4.170 -0.000 0.000 0.297 205 I C 0.853 176.949 176.117 -0.036 0.000 1.139 205 I CA -0.096 61.142 61.300 -0.103 0.000 1.340 205 I CB -0.130 37.735 38.000 -0.224 0.000 1.444 205 I HN 0.138 nan 8.210 nan 0.000 0.557 206 N N 5.083 123.787 118.700 0.007 0.000 2.354 206 N HA -0.090 4.650 4.740 -0.000 0.000 0.179 206 N C 0.209 175.719 175.510 0.001 0.000 1.021 206 N CA 0.913 53.969 53.050 0.010 0.000 0.887 206 N CB 0.088 38.589 38.487 0.024 0.000 0.974 206 N HN 0.260 nan 8.380 nan 0.000 0.437 207 K N 1.491 121.891 120.400 0.001 0.000 2.296 207 K HA 0.215 4.535 4.320 -0.000 0.000 0.257 207 K C -1.932 174.662 176.600 -0.010 0.000 1.088 207 K CA -1.765 54.522 56.287 -0.000 0.000 0.980 207 K CB 1.745 34.251 32.500 0.009 0.000 1.430 207 K HN 0.152 nan 8.250 nan 0.000 0.441 208 P HA -0.052 nan 4.420 nan 0.000 0.233 208 P C 0.312 177.600 177.300 -0.020 0.000 1.167 208 P CA 0.787 63.870 63.100 -0.028 0.000 0.770 208 P CB 0.610 32.292 31.700 -0.028 0.000 0.837 209 E N 0.294 120.487 120.200 -0.012 0.000 2.028 209 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 209 E C 2.031 178.624 176.600 -0.011 0.000 0.984 209 E CA 2.117 58.510 56.400 -0.011 0.000 0.800 209 E CB -1.396 28.300 29.700 -0.007 0.000 0.758 209 E HN 0.327 nan 8.360 nan 0.000 0.448 210 T N -2.800 111.752 114.554 -0.003 0.000 3.054 210 T HA 0.237 4.587 4.350 -0.000 0.000 0.259 210 T C 1.512 176.219 174.700 0.011 0.000 1.092 210 T CA 0.245 62.345 62.100 0.001 0.000 1.121 210 T CB 0.097 68.973 68.868 0.013 0.000 0.912 210 T HN 0.337 nan 8.240 nan 0.000 0.489 211 G N 1.141 109.951 108.800 0.016 0.000 2.248 211 G HA2 0.217 4.177 3.960 -0.000 0.000 0.252 211 G HA3 0.217 4.177 3.960 -0.000 0.000 0.252 211 G C -0.044 174.921 174.900 0.108 0.000 1.085 211 G CA -0.244 44.878 45.100 0.037 0.000 0.845 211 G HN 1.218 nan 8.290 nan 0.000 0.494 212 A N -0.792 122.075 122.820 0.078 0.000 2.449 212 A HA 0.856 5.176 4.320 -0.000 0.000 0.302 212 A C -0.138 177.494 177.584 0.080 0.000 1.048 212 A CA -0.330 51.779 52.037 0.120 0.000 0.708 212 A CB 2.022 21.072 19.000 0.084 0.000 1.274 212 A HN 1.368 nan 8.150 nan 0.000 0.410 213 V N 1.754 121.740 119.914 0.119 0.000 2.455 213 V HA 0.372 4.492 4.120 -0.000 0.000 0.273 213 V C 0.329 176.456 176.094 0.057 0.000 1.045 213 V CA -0.025 62.326 62.300 0.085 0.000 0.976 213 V CB 0.882 32.780 31.823 0.124 0.000 0.993 213 V HN 0.898 nan 8.190 nan 0.000 0.475 214 E N 5.052 125.274 120.200 0.037 0.000 2.216 214 E HA 0.623 4.973 4.350 -0.000 0.000 0.260 214 E C -1.574 175.036 176.600 0.016 0.000 0.880 214 E CA -0.581 55.832 56.400 0.021 0.000 0.765 214 E CB 1.396 31.106 29.700 0.016 0.000 1.174 214 E HN 0.646 nan 8.360 nan 0.000 0.417 215 L N 3.414 124.642 121.223 0.007 0.000 2.362 215 L HA 0.518 4.858 4.340 -0.000 0.000 0.271 215 L C -0.351 176.512 176.870 -0.012 0.000 1.002 215 L CA -0.783 54.057 54.840 0.001 0.000 0.818 215 L CB 2.072 44.132 42.059 0.001 0.000 1.298 215 L HN 0.499 nan 8.230 nan 0.000 0.420 216 E N 1.140 121.329 120.200 -0.018 0.000 2.187 216 E HA 0.348 4.698 4.350 -0.000 0.000 0.268 216 E C -0.587 175.980 176.600 -0.056 0.000 0.896 216 E CA -0.636 55.745 56.400 -0.031 0.000 0.766 216 E CB 1.792 31.478 29.700 -0.023 0.000 1.142 216 E HN 0.584 nan 8.360 nan 0.000 0.408 217 S N 1.710 117.362 115.700 -0.079 0.000 3.484 217 S HA -0.127 4.343 4.470 -0.000 0.000 0.384 217 S C -2.497 171.980 174.600 -0.205 0.000 0.932 217 S CA 0.032 58.150 58.200 -0.138 0.000 1.293 217 S CB -1.354 61.770 63.200 -0.127 0.000 0.919 217 S HN 0.392 nan 8.310 nan 0.000 0.540 218 P HA 0.623 nan 4.420 nan 0.000 0.287 218 P C -0.029 177.118 177.300 -0.254 0.000 1.270 218 P CA -0.724 62.286 63.100 -0.150 0.000 0.844 218 P CB 0.510 32.182 31.700 -0.045 0.000 1.068 219 F N 0.783 120.734 119.950 0.003 0.000 2.371 219 F HA 0.425 4.952 4.527 -0.000 0.000 0.329 219 F C 0.751 176.552 175.800 0.003 0.000 1.107 219 F CA 0.031 58.032 58.000 0.003 0.000 1.137 219 F CB 0.463 39.464 39.000 0.001 0.000 1.214 219 F HN 0.021 nan 8.300 nan 0.000 0.536 220 I N 3.576 124.270 120.570 0.207 0.000 2.439 220 I HA 0.222 4.392 4.170 -0.000 0.000 0.285 220 I C -1.182 174.993 176.117 0.096 0.000 1.021 220 I CA -0.817 60.552 61.300 0.115 0.000 1.091 220 I CB 1.721 39.768 38.000 0.078 0.000 1.242 220 I HN 0.282 nan 8.210 nan 0.000 0.439 221 L N 8.094 129.358 121.223 0.068 0.000 2.313 221 L HA 0.426 4.766 4.340 -0.000 0.000 0.282 221 L C -0.918 175.967 176.870 0.025 0.000 1.092 221 L CA 0.266 55.129 54.840 0.038 0.000 0.831 221 L CB 0.485 42.559 42.059 0.024 0.000 1.159 221 L HN 0.466 nan 8.230 nan 0.000 0.442 222 L N 6.391 127.624 121.223 0.016 0.000 2.345 222 L HA 0.773 5.113 4.340 -0.000 0.000 0.274 222 L C -0.355 176.513 176.870 -0.004 0.000 0.999 222 L CA -0.220 54.620 54.840 0.001 0.000 0.849 222 L CB 1.305 43.362 42.059 -0.002 0.000 1.220 222 L HN 0.774 nan 8.230 nan 0.000 0.422 223 A N 1.415 124.232 122.820 -0.006 0.000 2.435 223 A HA 0.556 4.876 4.320 -0.000 0.000 0.304 223 A C -0.936 176.643 177.584 -0.009 0.000 1.064 223 A CA -0.507 51.526 52.037 -0.006 0.000 0.727 223 A CB 1.599 20.599 19.000 0.000 0.000 1.284 223 A HN 0.584 nan 8.150 nan 0.000 0.415 224 D N 1.248 121.643 120.400 -0.008 0.000 2.973 224 D HA 0.367 5.007 4.640 -0.000 0.000 0.263 224 D C -0.227 176.073 176.300 0.000 0.000 1.266 224 D CA 0.111 54.106 54.000 -0.008 0.000 0.975 224 D CB -0.507 40.286 40.800 -0.012 0.000 1.032 224 D HN 0.589 nan 8.370 nan 0.000 0.510 225 K N -0.745 119.658 120.400 0.005 0.000 2.587 225 K HA 0.344 4.664 4.320 -0.000 0.000 0.276 225 K C -1.085 175.525 176.600 0.016 0.000 0.956 225 K CA -1.090 55.203 56.287 0.011 0.000 0.857 225 K CB 1.013 33.518 32.500 0.009 0.000 1.431 225 K HN -0.237 nan 8.250 nan 0.000 0.420 226 K N 2.367 122.779 120.400 0.020 0.000 2.349 226 K HA 0.235 4.555 4.320 -0.000 0.000 0.289 226 K C -0.568 176.047 176.600 0.025 0.000 1.064 226 K CA -0.137 56.165 56.287 0.025 0.000 0.947 226 K CB 0.227 32.743 32.500 0.027 0.000 1.007 226 K HN 0.417 nan 8.250 nan 0.000 0.478 227 I N 2.888 123.475 120.570 0.028 0.000 2.310 227 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 227 I C 0.516 176.654 176.117 0.034 0.000 1.073 227 I CA 0.034 61.351 61.300 0.028 0.000 1.216 227 I CB 1.234 39.249 38.000 0.026 0.000 1.415 227 I HN 0.551 nan 8.210 nan 0.000 0.480 228 S N 3.436 119.153 115.700 0.029 0.000 2.539 228 S HA 0.229 4.699 4.470 -0.000 0.000 0.221 228 S C 0.520 175.136 174.600 0.027 0.000 0.987 228 S CA -0.211 58.008 58.200 0.031 0.000 0.929 228 S CB -0.078 63.138 63.200 0.027 0.000 0.832 228 S HN 0.558 nan 8.310 nan 0.000 0.492 229 N N 1.086 119.800 118.700 0.023 0.000 2.354 229 N HA 0.400 5.140 4.740 -0.000 0.000 0.287 229 N C -0.394 175.128 175.510 0.020 0.000 1.016 229 N CA -0.235 52.827 53.050 0.019 0.000 0.871 229 N CB 1.892 40.387 38.487 0.014 0.000 1.299 229 N HN 0.083 nan 8.380 nan 0.000 0.482 230 I N 2.127 122.709 120.570 0.021 0.000 3.735 230 I HA 0.027 4.197 4.170 -0.000 0.000 0.310 230 I C 2.220 178.345 176.117 0.013 0.000 1.270 230 I CA 0.291 61.603 61.300 0.020 0.000 1.207 230 I CB 0.066 38.081 38.000 0.026 0.000 1.013 230 I HN 0.420 nan 8.210 nan 0.000 0.452 231 R N 0.825 121.332 120.500 0.010 0.000 2.115 231 R HA -0.144 4.196 4.340 -0.000 0.000 0.226 231 R C 1.734 178.036 176.300 0.004 0.000 1.100 231 R CA 1.477 57.581 56.100 0.006 0.000 0.980 231 R CB 0.030 30.334 30.300 0.005 0.000 0.875 231 R HN 0.442 nan 8.270 nan 0.000 0.445 232 E N -0.223 119.981 120.200 0.005 0.000 2.216 232 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 232 E C 1.692 178.292 176.600 0.000 0.000 0.988 232 E CA 0.687 57.089 56.400 0.003 0.000 0.834 232 E CB 0.103 29.806 29.700 0.005 0.000 0.772 232 E HN 0.313 nan 8.360 nan 0.000 0.479 233 M N 0.442 120.044 119.600 0.004 0.000 2.562 233 M HA 0.013 4.493 4.480 -0.000 0.000 0.257 233 M C 1.989 178.287 176.300 -0.004 0.000 1.099 233 M CA 0.776 56.077 55.300 0.002 0.000 1.099 233 M CB -0.384 32.222 32.600 0.011 0.000 1.427 233 M HN 0.175 nan 8.290 nan 0.000 0.489 234 L N 0.859 122.080 121.223 -0.004 0.000 2.046 234 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 234 L C -0.292 176.569 176.870 -0.015 0.000 1.077 234 L CA 1.435 56.271 54.840 -0.006 0.000 0.747 234 L CB -2.081 39.975 42.059 -0.004 0.000 0.896 234 L HN 0.185 nan 8.230 nan 0.000 0.432 235 P HA -0.036 nan 4.420 nan 0.000 0.233 235 P C 1.595 178.870 177.300 -0.041 0.000 1.167 235 P CA 0.898 63.982 63.100 -0.026 0.000 0.770 235 P CB 0.270 31.956 31.700 -0.023 0.000 0.837 236 V N -0.301 119.589 119.914 -0.039 0.000 2.575 236 V HA -0.035 4.085 4.120 -0.000 0.000 0.242 236 V C 2.595 178.653 176.094 -0.059 0.000 1.045 236 V CA 0.886 63.151 62.300 -0.057 0.000 1.065 236 V CB -0.954 30.843 31.823 -0.043 0.000 0.717 236 V HN -0.029 nan 8.190 nan 0.000 0.467 237 L N -0.056 121.148 121.223 -0.032 0.000 2.201 237 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 237 L C 2.432 179.288 176.870 -0.023 0.000 1.105 237 L CA 1.445 56.274 54.840 -0.019 0.000 0.775 237 L CB -0.377 41.683 42.059 0.001 0.000 0.913 237 L HN 0.395 nan 8.230 nan 0.000 0.440 238 E N -0.231 119.952 120.200 -0.029 0.000 2.285 238 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 238 E C 2.121 178.694 176.600 -0.046 0.000 0.997 238 E CA 0.761 57.144 56.400 -0.028 0.000 0.845 238 E CB 0.046 29.732 29.700 -0.023 0.000 0.782 238 E HN 0.471 nan 8.360 nan 0.000 0.491 239 A N 0.439 123.213 122.820 -0.078 0.000 2.123 239 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 239 A C 2.153 179.632 177.584 -0.175 0.000 1.152 239 A CA 0.385 52.347 52.037 -0.125 0.000 0.728 239 A CB 0.221 19.126 19.000 -0.159 0.000 0.814 239 A HN 0.079 nan 8.150 nan 0.000 0.464 240 V N -0.716 119.119 119.914 -0.132 0.000 2.992 240 V HA -0.025 4.095 4.120 -0.000 0.000 0.250 240 V C 2.868 178.975 176.094 0.021 0.000 1.090 240 V CA 1.180 63.438 62.300 -0.070 0.000 1.101 240 V CB -0.611 31.204 31.823 -0.014 0.000 0.743 240 V HN 0.534 nan 8.190 nan 0.000 0.468 241 A N 0.135 122.957 122.820 0.004 0.000 1.865 241 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 241 A C 1.464 179.062 177.584 0.024 0.000 1.191 241 A CA 1.251 53.299 52.037 0.019 0.000 0.623 241 A CB -0.341 18.664 19.000 0.008 0.000 0.826 241 A HN 0.522 nan 8.150 nan 0.000 0.444 242 K N -2.100 118.304 120.400 0.007 0.000 2.336 242 K HA 0.326 4.646 4.320 -0.000 0.000 0.262 242 K C 1.106 177.733 176.600 0.045 0.000 0.992 242 K CA 0.359 56.654 56.287 0.014 0.000 0.927 242 K CB 0.110 32.606 32.500 -0.008 0.000 0.956 242 K HN 0.855 nan 8.250 nan 0.000 0.495 243 A N 1.526 124.379 122.820 0.056 0.000 4.414 243 A HA -0.229 4.091 4.320 -0.000 0.000 0.259 243 A C 1.107 178.748 177.584 0.095 0.000 0.774 243 A CA 1.553 53.646 52.037 0.092 0.000 1.184 243 A CB -2.468 16.631 19.000 0.165 0.000 1.070 243 A HN 1.529 nan 8.150 nan 0.000 0.747 244 G N -0.611 108.241 108.800 0.086 0.000 2.370 244 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.293 244 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.293 244 G C -0.160 174.793 174.900 0.088 0.000 0.992 244 G CA 1.421 46.565 45.100 0.074 0.000 1.247 244 G HN 1.144 nan 8.290 nan 0.000 0.505 245 K N 0.358 120.845 120.400 0.144 0.000 2.295 245 K HA 0.590 4.910 4.320 -0.000 0.000 0.239 245 K C -2.314 174.366 176.600 0.134 0.000 0.991 245 K CA -2.212 54.148 56.287 0.120 0.000 0.845 245 K CB 2.054 34.613 32.500 0.098 0.000 1.197 245 K HN 0.064 nan 8.250 nan 0.000 0.441 246 P HA 0.191 nan 4.420 nan 0.000 0.277 246 P C -1.329 176.040 177.300 0.116 0.000 1.276 246 P CA -0.547 62.596 63.100 0.071 0.000 0.788 246 P CB 0.463 32.180 31.700 0.027 0.000 1.114 247 L N 0.088 121.360 121.223 0.082 0.000 2.455 247 L HA 0.582 4.922 4.340 -0.000 0.000 0.264 247 L C -1.704 175.185 176.870 0.032 0.000 0.968 247 L CA -0.810 54.088 54.840 0.097 0.000 0.827 247 L CB 1.755 43.869 42.059 0.092 0.000 1.317 247 L HN 0.119 nan 8.230 nan 0.000 0.407 248 L N 5.045 126.293 121.223 0.043 0.000 2.334 248 L HA 0.724 5.064 4.340 -0.000 0.000 0.276 248 L C -1.270 175.611 176.870 0.018 0.000 1.014 248 L CA -0.285 54.561 54.840 0.011 0.000 0.815 248 L CB 1.652 43.730 42.059 0.032 0.000 1.268 248 L HN 0.430 nan 8.230 nan 0.000 0.428 249 I N 6.577 127.142 120.570 -0.009 0.000 2.411 249 I HA 0.338 4.508 4.170 -0.000 0.000 0.284 249 I C -0.441 175.690 176.117 0.024 0.000 1.012 249 I CA -0.249 61.052 61.300 0.001 0.000 1.119 249 I CB 1.178 39.164 38.000 -0.023 0.000 1.261 249 I HN 0.521 nan 8.210 nan 0.000 0.448 250 I N 5.661 126.250 120.570 0.032 0.000 2.620 250 I HA 0.500 4.670 4.170 -0.000 0.000 0.280 250 I C 0.583 176.701 176.117 0.002 0.000 1.143 250 I CA -0.162 61.157 61.300 0.032 0.000 1.163 250 I CB 0.923 38.937 38.000 0.022 0.000 1.461 250 I HN 0.618 nan 8.210 nan 0.000 0.530 251 A N 3.415 126.244 122.820 0.015 0.000 2.624 251 A HA 0.457 4.777 4.320 -0.000 0.000 0.267 251 A C 1.130 178.722 177.584 0.013 0.000 1.282 251 A CA -0.343 51.700 52.037 0.009 0.000 0.934 251 A CB 0.924 19.935 19.000 0.018 0.000 1.510 251 A HN 0.586 nan 8.150 nan 0.000 0.477 252 E N -1.184 119.026 120.200 0.017 0.000 2.072 252 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 252 E C -0.673 175.950 176.600 0.039 0.000 0.982 252 E CA 1.110 57.525 56.400 0.025 0.000 0.803 252 E CB 0.206 29.921 29.700 0.025 0.000 0.755 252 E HN 0.557 nan 8.360 nan 0.000 0.453 253 D N -1.462 118.963 120.400 0.041 0.000 2.706 253 D HA 0.186 4.826 4.640 -0.000 0.000 0.227 253 D C -1.821 174.510 176.300 0.053 0.000 1.233 253 D CA -0.456 53.575 54.000 0.052 0.000 0.768 253 D CB 2.311 43.140 40.800 0.049 0.000 1.490 253 D HN -0.147 nan 8.370 nan 0.000 0.458 254 V N 2.867 122.821 119.914 0.068 0.000 2.350 254 V HA 0.469 4.589 4.120 -0.000 0.000 0.285 254 V C -0.070 176.073 176.094 0.083 0.000 1.014 254 V CA -0.533 61.810 62.300 0.072 0.000 0.831 254 V CB 1.494 33.367 31.823 0.083 0.000 1.000 254 V HN 0.381 nan 8.190 nan 0.000 0.433 255 E N 2.431 122.671 120.200 0.065 0.000 2.299 255 E HA 0.701 5.051 4.350 -0.000 0.000 0.265 255 E C 0.876 177.507 176.600 0.052 0.000 0.911 255 E CA -0.120 56.316 56.400 0.060 0.000 0.789 255 E CB 2.246 31.974 29.700 0.046 0.000 1.246 255 E HN 0.780 nan 8.360 nan 0.000 0.427 256 G N 1.955 110.783 108.800 0.046 0.000 2.672 256 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.332 256 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.332 256 G C 1.116 176.036 174.900 0.033 0.000 1.213 256 G CA 0.810 45.929 45.100 0.033 0.000 0.980 256 G HN 0.652 nan 8.290 nan 0.000 0.548 257 E N 1.360 121.576 120.200 0.027 0.000 2.077 257 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 257 E C 3.004 179.625 176.600 0.034 0.000 0.989 257 E CA 2.088 58.502 56.400 0.024 0.000 0.800 257 E CB -0.601 29.109 29.700 0.018 0.000 0.746 257 E HN 0.808 nan 8.360 nan 0.000 0.452 258 A N 0.779 123.624 122.820 0.043 0.000 1.969 258 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 258 A C 2.167 179.802 177.584 0.085 0.000 1.169 258 A CA 1.152 53.222 52.037 0.054 0.000 0.635 258 A CB -0.401 18.628 19.000 0.049 0.000 0.810 258 A HN 0.313 nan 8.150 nan 0.000 0.445 259 L N -0.992 120.290 121.223 0.097 0.000 2.127 259 L HA 0.225 4.565 4.340 -0.000 0.000 0.203 259 L C 2.573 179.514 176.870 0.119 0.000 1.080 259 L CA 1.747 56.679 54.840 0.153 0.000 0.768 259 L CB -0.485 41.664 42.059 0.150 0.000 0.924 259 L HN 0.265 nan 8.230 nan 0.000 0.444 260 A N -1.451 121.402 122.820 0.055 0.000 1.968 260 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 260 A C 2.169 179.749 177.584 -0.007 0.000 1.169 260 A CA 1.982 54.020 52.037 0.001 0.000 0.638 260 A CB -0.966 18.028 19.000 -0.010 0.000 0.812 260 A HN 0.482 nan 8.150 nan 0.000 0.446 261 T N 0.155 114.722 114.554 0.023 0.000 2.942 261 T HA 0.055 4.405 4.350 -0.000 0.000 0.265 261 T C 1.785 176.518 174.700 0.055 0.000 1.062 261 T CA 0.983 63.097 62.100 0.023 0.000 1.139 261 T CB -0.242 68.642 68.868 0.026 0.000 0.883 261 T HN 0.322 nan 8.240 nan 0.000 0.468 262 L N 0.784 122.072 121.223 0.109 0.000 2.056 262 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 262 L C 2.604 179.626 176.870 0.253 0.000 1.078 262 L CA 0.887 55.847 54.840 0.199 0.000 0.749 262 L CB -0.530 41.687 42.059 0.263 0.000 0.901 262 L HN 0.124 nan 8.230 nan 0.000 0.433 263 V N -0.900 119.085 119.914 0.119 0.000 2.594 263 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 263 V C 2.207 178.215 176.094 -0.144 0.000 1.069 263 V CA 1.211 63.400 62.300 -0.185 0.000 1.082 263 V CB 0.077 31.693 31.823 -0.345 0.000 0.680 263 V HN 0.200 nan 8.190 nan 0.000 0.469 264 V N -0.250 119.617 119.914 -0.078 0.000 2.374 264 V HA -0.133 3.986 4.120 -0.000 0.000 0.241 264 V C 2.055 178.136 176.094 -0.021 0.000 1.034 264 V CA 1.882 64.133 62.300 -0.081 0.000 1.037 264 V CB -0.632 31.146 31.823 -0.074 0.000 0.682 264 V HN 0.552 nan 8.190 nan 0.000 0.463 265 N N 0.327 119.038 118.700 0.017 0.000 2.223 265 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 265 N C 1.869 177.412 175.510 0.055 0.000 1.016 265 N CA 1.837 54.908 53.050 0.034 0.000 0.863 265 N CB -0.017 38.495 38.487 0.041 0.000 0.983 265 N HN 0.665 nan 8.380 nan 0.000 0.429 266 T N -1.395 113.216 114.554 0.095 0.000 2.985 266 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 266 T C 1.695 176.447 174.700 0.086 0.000 1.076 266 T CA 0.347 62.518 62.100 0.118 0.000 1.135 266 T CB -0.005 68.996 68.868 0.223 0.000 0.890 266 T HN 0.080 nan 8.240 nan 0.000 0.480 267 M N 0.163 119.793 119.600 0.051 0.000 2.619 267 M HA 0.250 4.730 4.480 -0.000 0.000 0.251 267 M C 1.887 178.194 176.300 0.012 0.000 1.106 267 M CA 0.637 55.950 55.300 0.023 0.000 1.086 267 M CB 0.038 32.623 32.600 -0.025 0.000 1.465 267 M HN 0.143 nan 8.290 nan 0.000 0.506 268 R N -1.162 119.346 120.500 0.014 0.000 2.365 268 R HA 0.240 4.580 4.340 -0.000 0.000 0.223 268 R C 1.079 177.388 176.300 0.015 0.000 0.899 268 R CA 0.598 56.703 56.100 0.008 0.000 1.059 268 R CB 0.628 30.930 30.300 0.002 0.000 1.086 268 R HN 0.516 nan 8.270 nan 0.000 0.522 269 G N 1.542 110.358 108.800 0.026 0.000 2.176 269 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.232 269 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.232 269 G C 0.273 175.191 174.900 0.030 0.000 0.986 269 G CA -0.332 44.784 45.100 0.028 0.000 0.643 269 G HN 0.236 nan 8.290 nan 0.000 0.522 270 I N 2.218 122.807 120.570 0.031 0.000 2.501 270 I HA 0.340 4.510 4.170 -0.000 0.000 0.305 270 I C 0.891 177.032 176.117 0.040 0.000 1.197 270 I CA -0.289 61.029 61.300 0.030 0.000 1.793 270 I CB -0.247 37.768 38.000 0.025 0.000 1.521 270 I HN 0.166 nan 8.210 nan 0.000 0.843 271 V N 3.832 123.771 119.914 0.041 0.000 3.605 271 V HA -0.246 3.874 4.120 -0.000 0.000 0.507 271 V C 0.243 176.373 176.094 0.060 0.000 0.682 271 V CA 0.378 62.708 62.300 0.050 0.000 2.051 271 V CB -1.067 30.785 31.823 0.047 0.000 2.472 271 V HN 0.703 nan 8.190 nan 0.000 0.509 272 K N 4.143 124.580 120.400 0.061 0.000 2.349 272 K HA 0.605 4.925 4.320 -0.000 0.000 0.289 272 K C -0.409 176.225 176.600 0.055 0.000 1.064 272 K CA -0.078 56.250 56.287 0.069 0.000 0.947 272 K CB 1.317 33.853 32.500 0.060 0.000 1.007 272 K HN 0.560 nan 8.250 nan 0.000 0.478 273 V N 2.370 122.317 119.914 0.054 0.000 2.531 273 V HA 0.674 4.794 4.120 -0.000 0.000 0.301 273 V C -0.527 175.436 176.094 -0.218 0.000 1.034 273 V CA -1.157 61.129 62.300 -0.024 0.000 0.865 273 V CB 1.754 33.580 31.823 0.004 0.000 0.995 273 V HN 0.789 nan 8.190 nan 0.000 0.424 274 A N 3.684 126.321 122.820 -0.305 0.000 2.330 274 A HA 0.944 5.264 4.320 -0.000 0.000 0.327 274 A C -0.033 177.242 177.584 -0.514 0.000 1.155 274 A CA -0.369 51.296 52.037 -0.620 0.000 0.803 274 A CB 1.416 20.247 19.000 -0.282 0.000 1.208 274 A HN 1.365 nan 8.150 nan 0.000 0.477 275 A N 1.913 124.295 122.820 -0.730 0.000 2.304 275 A HA 0.694 5.014 4.320 -0.000 0.000 0.314 275 A C -0.209 177.360 177.584 -0.025 0.000 1.187 275 A CA -0.220 51.665 52.037 -0.254 0.000 0.810 275 A CB 0.489 19.411 19.000 -0.130 0.000 1.183 275 A HN 2.127 nan 8.150 nan 0.000 0.487 276 V N -0.136 119.802 119.914 0.040 0.000 3.078 276 V HA 0.653 4.773 4.120 -0.000 0.000 0.311 276 V C -0.493 175.676 176.094 0.126 0.000 1.138 276 V CA -1.199 61.169 62.300 0.112 0.000 1.007 276 V CB 1.617 33.529 31.823 0.148 0.000 1.045 276 V HN 0.791 nan 8.190 nan 0.000 0.432 277 K N 1.487 121.973 120.400 0.143 0.000 2.098 277 K HA 0.777 5.097 4.320 -0.000 0.000 0.257 277 K C 0.195 176.855 176.600 0.100 0.000 0.999 277 K CA -0.053 56.300 56.287 0.110 0.000 0.924 277 K CB 1.705 34.264 32.500 0.098 0.000 1.028 277 K HN 1.118 nan 8.250 nan 0.000 0.466 278 A N 3.165 125.997 122.820 0.021 0.000 2.425 278 A HA 0.283 4.603 4.320 -0.000 0.000 0.249 278 A C -2.277 175.272 177.584 -0.057 0.000 1.084 278 A CA -1.175 50.813 52.037 -0.081 0.000 0.781 278 A CB -0.295 18.663 19.000 -0.071 0.000 1.019 278 A HN 0.366 nan 8.150 nan 0.000 0.490 279 P HA 0.419 nan 4.420 nan 0.000 0.271 279 P C 0.919 178.221 177.300 0.003 0.000 1.216 279 P CA 1.516 64.580 63.100 -0.061 0.000 0.776 279 P CB 0.765 32.340 31.700 -0.209 0.000 0.881 280 G N 1.938 110.793 108.800 0.092 0.000 2.569 280 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.259 280 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.259 280 G C -0.757 174.301 174.900 0.263 0.000 1.263 280 G CA 0.233 45.424 45.100 0.152 0.000 0.928 280 G HN 0.683 nan 8.290 nan 0.000 0.572 281 F N -2.611 117.347 119.950 0.012 0.000 2.686 281 F HA 0.730 5.257 4.527 -0.000 0.000 0.311 281 F C 1.108 176.916 175.800 0.013 0.000 1.128 281 F CA 0.372 58.381 58.000 0.014 0.000 0.946 281 F CB 0.930 39.945 39.000 0.025 0.000 1.336 281 F HN 2.401 nan 8.300 nan 0.000 0.457 282 G N 1.483 110.349 108.800 0.111 0.000 2.646 282 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.324 282 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.324 282 G C 0.531 175.391 174.900 -0.066 0.000 1.195 282 G CA 0.971 46.080 45.100 0.016 0.000 0.976 282 G HN 0.834 nan 8.290 nan 0.000 0.546 283 D N 0.858 121.186 120.400 -0.120 0.000 2.120 283 D HA -0.010 4.630 4.640 -0.000 0.000 0.202 283 D C 2.526 178.756 176.300 -0.117 0.000 0.972 283 D CA 1.501 55.443 54.000 -0.097 0.000 0.837 283 D CB -0.286 40.464 40.800 -0.083 0.000 0.989 283 D HN 0.667 nan 8.370 nan 0.000 0.469 284 R N 1.023 121.416 120.500 -0.178 0.000 2.280 284 R HA 0.053 4.393 4.340 -0.000 0.000 0.207 284 R C 2.016 178.235 176.300 -0.136 0.000 1.043 284 R CA 0.571 56.573 56.100 -0.163 0.000 1.006 284 R CB -0.093 30.084 30.300 -0.206 0.000 0.885 284 R HN 0.004 nan 8.270 nan 0.000 0.467 285 R N 1.461 121.887 120.500 -0.124 0.000 2.092 285 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 285 R C 1.221 177.474 176.300 -0.078 0.000 1.119 285 R CA 1.612 57.663 56.100 -0.080 0.000 0.970 285 R CB 0.024 30.308 30.300 -0.026 0.000 0.864 285 R HN 0.281 nan 8.270 nan 0.000 0.440 286 K N -0.131 120.229 120.400 -0.067 0.000 2.167 286 K HA 0.036 4.356 4.320 -0.000 0.000 0.203 286 K C 2.020 178.582 176.600 -0.064 0.000 1.052 286 K CA 1.044 57.297 56.287 -0.057 0.000 0.956 286 K CB 0.026 32.501 32.500 -0.041 0.000 0.735 286 K HN 0.173 nan 8.250 nan 0.000 0.451 287 A N 1.161 123.937 122.820 -0.072 0.000 1.968 287 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 287 A C 2.044 179.582 177.584 -0.077 0.000 1.169 287 A CA 1.086 53.082 52.037 -0.069 0.000 0.638 287 A CB -0.353 18.603 19.000 -0.073 0.000 0.812 287 A HN 0.154 nan 8.150 nan 0.000 0.446 288 M N -0.664 118.880 119.600 -0.094 0.000 2.394 288 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 288 M C 1.712 177.933 176.300 -0.132 0.000 1.073 288 M CA 0.882 56.114 55.300 -0.113 0.000 1.111 288 M CB -0.311 32.207 32.600 -0.138 0.000 1.401 288 M HN 0.362 nan 8.290 nan 0.000 0.448 289 L N -0.424 120.729 121.223 -0.117 0.000 2.291 289 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 289 L C 2.400 179.226 176.870 -0.074 0.000 1.120 289 L CA 0.800 55.576 54.840 -0.107 0.000 0.799 289 L CB -0.315 41.694 42.059 -0.084 0.000 0.925 289 L HN 0.275 nan 8.230 nan 0.000 0.446 290 Q N -0.252 119.511 119.800 -0.062 0.000 2.398 290 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 290 Q C 1.311 177.286 176.000 -0.041 0.000 0.932 290 Q CA 0.957 56.734 55.803 -0.044 0.000 0.916 290 Q CB 0.178 28.893 28.738 -0.038 0.000 1.024 290 Q HN 0.292 nan 8.270 nan 0.000 0.504 291 D N -0.675 119.694 120.400 -0.052 0.000 2.317 291 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 291 D C 1.210 177.488 176.300 -0.036 0.000 0.966 291 D CA 0.710 54.684 54.000 -0.043 0.000 0.876 291 D CB 0.241 41.010 40.800 -0.052 0.000 0.927 291 D HN 0.377 nan 8.370 nan 0.000 0.519 292 I N 0.179 120.719 120.570 -0.050 0.000 2.429 292 I HA -0.017 4.153 4.170 -0.000 0.000 0.247 292 I C 2.289 178.399 176.117 -0.013 0.000 1.099 292 I CA 0.496 61.777 61.300 -0.032 0.000 1.422 292 I CB -0.139 37.822 38.000 -0.065 0.000 1.112 292 I HN -0.104 nan 8.210 nan 0.000 0.430 293 A N 0.830 123.639 122.820 -0.019 0.000 2.015 293 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 293 A C 2.332 179.915 177.584 -0.002 0.000 1.163 293 A CA 2.140 54.173 52.037 -0.006 0.000 0.646 293 A CB -0.941 18.052 19.000 -0.011 0.000 0.806 293 A HN 0.404 nan 8.150 nan 0.000 0.448 294 T N 0.283 114.833 114.554 -0.007 0.000 2.812 294 T HA -0.049 4.301 4.350 -0.000 0.000 0.264 294 T C 1.871 176.571 174.700 -0.000 0.000 1.042 294 T CA 1.003 63.100 62.100 -0.005 0.000 1.140 294 T CB -0.323 68.539 68.868 -0.010 0.000 0.870 294 T HN 0.283 nan 8.240 nan 0.000 0.445 295 L N 2.051 123.275 121.223 0.000 0.000 2.012 295 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 295 L C 2.506 179.381 176.870 0.009 0.000 1.073 295 L CA 2.633 57.477 54.840 0.006 0.000 0.748 295 L CB -1.280 40.786 42.059 0.012 0.000 0.891 295 L HN 0.501 nan 8.230 nan 0.000 0.431 296 T N -4.219 110.343 114.554 0.013 0.000 3.037 296 T HA 0.230 4.580 4.350 -0.000 0.000 0.252 296 T C 1.281 175.991 174.700 0.017 0.000 1.073 296 T CA 0.598 62.707 62.100 0.015 0.000 1.091 296 T CB 0.220 69.102 68.868 0.024 0.000 0.935 296 T HN 0.572 nan 8.240 nan 0.000 0.488 297 G N 0.606 109.416 108.800 0.017 0.000 2.207 297 G HA2 0.145 4.105 3.960 -0.000 0.000 0.216 297 G HA3 0.145 4.105 3.960 -0.000 0.000 0.216 297 G C 0.244 175.163 174.900 0.031 0.000 1.053 297 G CA -0.272 44.840 45.100 0.020 0.000 0.764 297 G HN 0.971 nan 8.290 nan 0.000 0.495 298 G N -1.381 107.436 108.800 0.028 0.000 2.705 298 G HA2 0.832 4.792 3.960 -0.000 0.000 0.299 298 G HA3 0.832 4.792 3.960 -0.000 0.000 0.299 298 G C -0.416 174.494 174.900 0.017 0.000 1.315 298 G CA 0.148 45.268 45.100 0.033 0.000 1.045 298 G HN 0.729 nan 8.290 nan 0.000 0.517 299 T N -0.090 114.472 114.554 0.014 0.000 2.848 299 T HA 0.443 4.793 4.350 -0.000 0.000 0.285 299 T C -0.300 174.400 174.700 -0.000 0.000 0.995 299 T CA -0.326 61.776 62.100 0.004 0.000 0.970 299 T CB 1.804 70.674 68.868 0.003 0.000 0.976 299 T HN 0.362 nan 8.240 nan 0.000 0.441 300 V N 4.209 124.119 119.914 -0.007 0.000 2.455 300 V HA 0.290 4.410 4.120 -0.000 0.000 0.273 300 V C 0.276 176.365 176.094 -0.009 0.000 1.045 300 V CA -0.403 61.890 62.300 -0.012 0.000 0.976 300 V CB 0.218 32.029 31.823 -0.020 0.000 0.993 300 V HN 0.780 nan 8.190 nan 0.000 0.475 301 I N 5.278 125.843 120.570 -0.008 0.000 2.316 301 I HA 0.227 4.397 4.170 -0.000 0.000 0.286 301 I C 0.584 176.698 176.117 -0.006 0.000 1.107 301 I CA 0.144 61.440 61.300 -0.006 0.000 1.219 301 I CB 0.411 38.408 38.000 -0.005 0.000 1.455 301 I HN 0.686 nan 8.210 nan 0.000 0.498 302 S N 3.143 118.839 115.700 -0.007 0.000 2.585 302 S HA 0.331 4.801 4.470 -0.000 0.000 0.277 302 S C 0.746 175.344 174.600 -0.004 0.000 1.241 302 S CA -0.879 57.317 58.200 -0.006 0.000 1.041 302 S CB 1.766 64.961 63.200 -0.008 0.000 0.987 302 S HN 0.558 nan 8.310 nan 0.000 0.512 303 E N 1.040 121.239 120.200 -0.001 0.000 2.358 303 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 303 E C 1.289 177.889 176.600 -0.001 0.000 1.010 303 E CA 0.569 56.969 56.400 -0.000 0.000 0.856 303 E CB -0.036 29.666 29.700 0.002 0.000 0.795 303 E HN 0.753 nan 8.360 nan 0.000 0.504 304 E N 0.828 121.027 120.200 -0.002 0.000 2.072 304 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 304 E C 1.864 178.462 176.600 -0.003 0.000 0.985 304 E CA 0.818 57.217 56.400 -0.002 0.000 0.801 304 E CB 0.027 29.725 29.700 -0.003 0.000 0.750 304 E HN 0.297 nan 8.360 nan 0.000 0.452 305 I N -0.608 119.959 120.570 -0.004 0.000 3.428 305 I HA 0.051 4.221 4.170 -0.000 0.000 0.286 305 I C 1.481 177.596 176.117 -0.004 0.000 1.287 305 I CA 0.559 61.856 61.300 -0.005 0.000 1.396 305 I CB 0.241 38.237 38.000 -0.006 0.000 1.062 305 I HN 0.261 nan 8.210 nan 0.000 0.471 306 G N 0.851 109.649 108.800 -0.003 0.000 2.195 306 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.224 306 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.224 306 G C 0.364 175.262 174.900 -0.003 0.000 0.990 306 G CA -0.472 44.626 45.100 -0.003 0.000 0.639 306 G HN 0.200 nan 8.290 nan 0.000 0.514 307 M N 1.157 120.755 119.600 -0.004 0.000 2.245 307 M HA 0.421 4.901 4.480 -0.000 0.000 0.344 307 M C 0.563 176.861 176.300 -0.004 0.000 1.170 307 M CA 0.742 56.039 55.300 -0.005 0.000 1.135 307 M CB 0.549 33.146 32.600 -0.006 0.000 1.574 307 M HN 0.280 nan 8.290 nan 0.000 0.452 308 E N 1.635 121.832 120.200 -0.005 0.000 2.281 308 E HA 0.308 4.658 4.350 -0.000 0.000 0.262 308 E C 0.266 176.862 176.600 -0.007 0.000 0.933 308 E CA -0.647 55.751 56.400 -0.005 0.000 0.809 308 E CB 1.773 31.470 29.700 -0.005 0.000 1.242 308 E HN 0.631 nan 8.360 nan 0.000 0.418 309 L N 0.895 122.115 121.223 -0.005 0.000 2.131 309 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 309 L C 1.798 178.661 176.870 -0.012 0.000 1.087 309 L CA 1.093 55.928 54.840 -0.008 0.000 0.767 309 L CB -0.199 41.858 42.059 -0.003 0.000 0.917 309 L HN 0.527 nan 8.230 nan 0.000 0.441 310 E N 0.208 120.402 120.200 -0.010 0.000 2.153 310 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 310 E C 1.563 178.154 176.600 -0.015 0.000 0.988 310 E CA 0.799 57.192 56.400 -0.012 0.000 0.811 310 E CB -0.010 29.685 29.700 -0.008 0.000 0.746 310 E HN 0.168 nan 8.360 nan 0.000 0.466 311 K N 0.479 120.871 120.400 -0.013 0.000 2.569 311 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 311 K C -0.090 176.499 176.600 -0.018 0.000 1.026 311 K CA 0.120 56.398 56.287 -0.014 0.000 1.093 311 K CB 0.223 32.716 32.500 -0.010 0.000 0.849 311 K HN 0.041 nan 8.250 nan 0.000 0.509 312 A N 1.659 124.466 122.820 -0.023 0.000 2.289 312 A HA 0.350 4.670 4.320 -0.000 0.000 0.298 312 A C 0.623 178.181 177.584 -0.043 0.000 1.208 312 A CA -0.439 51.580 52.037 -0.029 0.000 0.845 312 A CB 0.392 19.375 19.000 -0.028 0.000 1.125 312 A HN 0.259 nan 8.150 nan 0.000 0.517 313 T N -0.136 114.390 114.554 -0.047 0.000 2.864 313 T HA 0.530 4.880 4.350 -0.000 0.000 0.276 313 T C 0.928 175.571 174.700 -0.095 0.000 1.006 313 T CA -0.580 61.481 62.100 -0.065 0.000 0.970 313 T CB 0.339 69.179 68.868 -0.046 0.000 1.420 313 T HN 0.280 nan 8.240 nan 0.000 0.601 314 L N -0.068 121.082 121.223 -0.120 0.000 2.418 314 L HA 0.214 4.554 4.340 -0.000 0.000 0.218 314 L C 2.786 179.611 176.870 -0.076 0.000 1.125 314 L CA 0.842 55.563 54.840 -0.198 0.000 0.835 314 L CB -0.280 41.633 42.059 -0.245 0.000 0.953 314 L HN 0.825 nan 8.230 nan 0.000 0.454 315 E N 0.109 120.295 120.200 -0.024 0.000 2.170 315 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 315 E C 1.280 177.896 176.600 0.026 0.000 0.981 315 E CA 0.737 57.149 56.400 0.020 0.000 0.830 315 E CB 0.318 30.024 29.700 0.010 0.000 0.775 315 E HN 0.386 nan 8.360 nan 0.000 0.470 316 D N 0.377 120.779 120.400 0.003 0.000 2.218 316 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 316 D C 0.134 176.450 176.300 0.026 0.000 0.976 316 D CA 0.532 54.536 54.000 0.008 0.000 0.853 316 D CB -0.047 40.748 40.800 -0.008 0.000 0.939 316 D HN 0.131 nan 8.370 nan 0.000 0.481 317 L N 0.954 122.201 121.223 0.040 0.000 2.367 317 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 317 L C 1.449 178.413 176.870 0.156 0.000 1.129 317 L CA -0.003 54.901 54.840 0.105 0.000 0.839 317 L CB 0.905 43.047 42.059 0.138 0.000 1.133 317 L HN -0.123 nan 8.230 nan 0.000 0.453 318 G N 2.359 111.230 108.800 0.118 0.000 2.611 318 G HA2 0.454 4.414 3.960 -0.000 0.000 0.273 318 G HA3 0.454 4.414 3.960 -0.000 0.000 0.273 318 G C -0.845 174.113 174.900 0.096 0.000 1.305 318 G CA -0.189 44.965 45.100 0.091 0.000 1.010 318 G HN 0.592 nan 8.290 nan 0.000 0.509 319 Q N -2.243 117.570 119.800 0.023 0.000 2.545 319 Q HA 0.537 4.877 4.340 -0.000 0.000 0.273 319 Q C -1.130 174.837 176.000 -0.055 0.000 0.975 319 Q CA -0.646 55.120 55.803 -0.062 0.000 0.876 319 Q CB 1.777 30.428 28.738 -0.145 0.000 1.472 319 Q HN 1.008 nan 8.270 nan 0.000 0.389 320 A N 1.769 124.543 122.820 -0.076 0.000 2.504 320 A HA 0.547 4.867 4.320 -0.000 0.000 0.285 320 A C -0.411 177.132 177.584 -0.069 0.000 1.261 320 A CA -0.531 51.475 52.037 -0.051 0.000 0.741 320 A CB 1.388 20.374 19.000 -0.023 0.000 1.327 320 A HN 0.771 nan 8.150 nan 0.000 0.441 321 K N -0.706 119.665 120.400 -0.048 0.000 2.167 321 K HA 0.081 4.401 4.320 -0.000 0.000 0.203 321 K C 0.610 177.184 176.600 -0.044 0.000 1.052 321 K CA 1.055 57.313 56.287 -0.048 0.000 0.956 321 K CB 0.184 32.665 32.500 -0.033 0.000 0.735 321 K HN 0.516 nan 8.250 nan 0.000 0.451 322 R N -0.390 120.089 120.500 -0.034 0.000 2.739 322 R HA 0.152 4.492 4.340 -0.000 0.000 0.266 322 R C -2.087 174.202 176.300 -0.018 0.000 1.044 322 R CA -0.511 55.574 56.100 -0.026 0.000 0.885 322 R CB 1.622 31.909 30.300 -0.021 0.000 1.260 322 R HN -0.065 nan 8.270 nan 0.000 0.477 323 V N -0.384 119.521 119.914 -0.015 0.000 2.888 323 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 323 V C -1.064 175.022 176.094 -0.014 0.000 1.114 323 V CA -0.827 61.465 62.300 -0.015 0.000 0.940 323 V CB 2.038 33.857 31.823 -0.006 0.000 1.021 323 V HN 0.399 nan 8.190 nan 0.000 0.426 324 V N 4.724 124.621 119.914 -0.028 0.000 2.487 324 V HA 0.586 4.705 4.120 -0.000 0.000 0.298 324 V C -0.341 175.729 176.094 -0.039 0.000 1.028 324 V CA -0.313 61.975 62.300 -0.019 0.000 0.860 324 V CB 1.653 33.466 31.823 -0.018 0.000 0.991 324 V HN 0.833 nan 8.190 nan 0.000 0.427 325 I N 4.862 125.439 120.570 0.011 0.000 2.495 325 I HA 0.375 4.545 4.170 -0.000 0.000 0.277 325 I C 0.116 176.286 176.117 0.089 0.000 1.045 325 I CA -0.399 60.911 61.300 0.017 0.000 1.135 325 I CB 1.082 39.138 38.000 0.093 0.000 1.241 325 I HN 0.578 nan 8.210 nan 0.000 0.469 326 N N 4.444 123.128 118.700 -0.028 0.000 2.294 326 N HA 0.106 4.846 4.740 -0.000 0.000 0.275 326 N C 1.240 176.558 175.510 -0.320 0.000 1.291 326 N CA -0.178 52.852 53.050 -0.033 0.000 0.933 326 N CB 0.627 39.085 38.487 -0.048 0.000 1.096 326 N HN 0.445 nan 8.380 nan 0.000 0.525 327 K N -0.003 120.235 120.400 -0.269 0.000 2.057 327 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 327 K C -0.252 176.073 176.600 -0.458 0.000 1.049 327 K CA 1.944 57.944 56.287 -0.478 0.000 0.931 327 K CB -0.011 32.403 32.500 -0.144 0.000 0.714 327 K HN 0.603 nan 8.250 nan 0.000 0.440 328 D N -1.771 118.478 120.400 -0.252 0.000 2.594 328 D HA 0.088 4.728 4.640 -0.000 0.000 0.256 328 D C -0.832 175.386 176.300 -0.137 0.000 1.393 328 D CA -0.354 53.547 54.000 -0.167 0.000 0.797 328 D CB 1.064 41.812 40.800 -0.087 0.000 1.110 328 D HN -0.176 nan 8.370 nan 0.000 0.495 329 T N -0.008 114.438 114.554 -0.179 0.000 2.991 329 T HA 0.549 4.899 4.350 -0.000 0.000 0.303 329 T C -0.888 173.636 174.700 -0.293 0.000 1.015 329 T CA -0.496 61.483 62.100 -0.201 0.000 1.007 329 T CB 2.060 70.850 68.868 -0.131 0.000 1.034 329 T HN -0.141 nan 8.240 nan 0.000 0.446 330 T N 2.385 116.612 114.554 -0.545 0.000 2.779 330 T HA 0.583 4.933 4.350 -0.000 0.000 0.280 330 T C -0.198 174.124 174.700 -0.630 0.000 0.987 330 T CA -0.501 61.221 62.100 -0.630 0.000 0.966 330 T CB 1.479 69.850 68.868 -0.828 0.000 0.933 330 T HN 0.566 nan 8.240 nan 0.000 0.442 331 T N 4.077 118.451 114.554 -0.300 0.000 2.786 331 T HA 0.641 4.991 4.350 -0.000 0.000 0.283 331 T C -0.384 174.266 174.700 -0.083 0.000 0.992 331 T CA -0.658 61.339 62.100 -0.172 0.000 0.954 331 T CB -0.069 68.735 68.868 -0.108 0.000 0.934 331 T HN 0.440 nan 8.240 nan 0.000 0.440 332 I N 5.929 126.487 120.570 -0.021 0.000 2.385 332 I HA 0.516 4.686 4.170 -0.000 0.000 0.294 332 I C -0.219 175.904 176.117 0.010 0.000 0.988 332 I CA -0.801 60.511 61.300 0.020 0.000 1.265 332 I CB 1.561 39.609 38.000 0.081 0.000 1.388 332 I HN 0.534 nan 8.210 nan 0.000 0.480 333 I N 4.421 124.991 120.570 -0.000 0.000 2.498 333 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 333 I C -0.761 175.351 176.117 -0.008 0.000 1.032 333 I CA -0.672 60.625 61.300 -0.006 0.000 1.073 333 I CB 1.751 39.744 38.000 -0.012 0.000 1.251 333 I HN 0.582 nan 8.210 nan 0.000 0.426 334 D N 4.616 125.012 120.400 -0.006 0.000 3.845 334 D HA -0.131 4.509 4.640 -0.000 0.000 0.227 334 D C -0.030 176.264 176.300 -0.011 0.000 1.092 334 D CA 1.059 55.053 54.000 -0.009 0.000 1.148 334 D CB -0.012 40.780 40.800 -0.014 0.000 0.803 334 D HN 0.821 nan 8.370 nan 0.000 0.395 335 G N 1.644 110.441 108.800 -0.004 0.000 2.377 335 G HA2 0.450 4.410 3.960 -0.000 0.000 0.299 335 G HA3 0.450 4.410 3.960 -0.000 0.000 0.299 335 G C 1.280 176.176 174.900 -0.007 0.000 1.150 335 G CA -0.496 44.602 45.100 -0.004 0.000 0.847 335 G HN 0.380 nan 8.290 nan 0.000 0.501 336 V N 2.289 122.197 119.914 -0.010 0.000 2.970 336 V HA 0.013 4.133 4.120 -0.000 0.000 0.260 336 V C 2.129 178.222 176.094 -0.001 0.000 1.100 336 V CA 1.058 63.352 62.300 -0.009 0.000 1.122 336 V CB -1.082 30.733 31.823 -0.014 0.000 0.721 336 V HN 0.784 nan 8.190 nan 0.000 0.483 337 G N 0.959 109.760 108.800 0.002 0.000 2.414 337 G HA2 0.093 4.053 3.960 -0.000 0.000 0.236 337 G HA3 0.093 4.053 3.960 -0.000 0.000 0.236 337 G C 0.025 174.926 174.900 0.001 0.000 1.293 337 G CA -0.288 44.815 45.100 0.004 0.000 0.869 337 G HN 0.306 nan 8.290 nan 0.000 0.556 338 E N 1.537 121.738 120.200 0.002 0.000 2.415 338 E HA -0.017 4.333 4.350 -0.000 0.000 0.262 338 E C 1.238 177.837 176.600 -0.001 0.000 1.038 338 E CA 0.104 56.504 56.400 0.000 0.000 0.921 338 E CB 1.111 30.812 29.700 0.001 0.000 0.950 338 E HN 0.701 nan 8.360 nan 0.000 0.438 339 E N 1.544 121.743 120.200 -0.002 0.000 2.150 339 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 339 E C 1.800 178.398 176.600 -0.003 0.000 0.985 339 E CA 0.991 57.390 56.400 -0.002 0.000 0.814 339 E CB 0.025 29.723 29.700 -0.003 0.000 0.752 339 E HN 0.584 nan 8.360 nan 0.000 0.466 340 A N 1.684 124.502 122.820 -0.003 0.000 1.873 340 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 340 A C 2.394 179.976 177.584 -0.003 0.000 1.193 340 A CA 2.010 54.045 52.037 -0.003 0.000 0.629 340 A CB -0.704 18.295 19.000 -0.002 0.000 0.826 340 A HN 0.308 nan 8.150 nan 0.000 0.447 341 A N -1.010 121.809 122.820 -0.003 0.000 2.066 341 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 341 A C 2.030 179.611 177.584 -0.005 0.000 1.157 341 A CA 1.239 53.274 52.037 -0.003 0.000 0.670 341 A CB -0.449 18.550 19.000 -0.002 0.000 0.804 341 A HN 0.513 nan 8.150 nan 0.000 0.453 342 I N -1.588 118.980 120.570 -0.004 0.000 2.429 342 I HA -0.123 4.047 4.170 -0.000 0.000 0.247 342 I C 2.515 178.628 176.117 -0.006 0.000 1.099 342 I CA 1.177 62.474 61.300 -0.005 0.000 1.422 342 I CB -0.130 37.868 38.000 -0.003 0.000 1.112 342 I HN 0.279 nan 8.210 nan 0.000 0.430 343 Q N 1.267 121.064 119.800 -0.006 0.000 2.369 343 Q HA -0.047 4.293 4.340 -0.000 0.000 0.206 343 Q C 1.943 177.938 176.000 -0.008 0.000 0.963 343 Q CA 1.488 57.287 55.803 -0.007 0.000 0.894 343 Q CB -0.270 28.465 28.738 -0.006 0.000 0.965 343 Q HN 0.463 nan 8.270 nan 0.000 0.475 344 G N -0.374 108.422 108.800 -0.008 0.000 2.430 344 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 344 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 344 G C 1.527 176.420 174.900 -0.011 0.000 1.146 344 G CA 0.468 45.563 45.100 -0.009 0.000 0.793 344 G HN 0.295 nan 8.290 nan 0.000 0.537 345 R N -0.042 120.451 120.500 -0.012 0.000 2.236 345 R HA 0.143 4.483 4.340 -0.000 0.000 0.208 345 R C 2.197 178.487 176.300 -0.017 0.000 1.036 345 R CA 0.674 56.765 56.100 -0.015 0.000 1.001 345 R CB -0.264 30.026 30.300 -0.016 0.000 0.896 345 R HN 0.218 nan 8.270 nan 0.000 0.464 346 V N -0.027 119.879 119.914 -0.014 0.000 2.535 346 V HA 0.008 4.128 4.120 -0.000 0.000 0.246 346 V C 2.148 178.233 176.094 -0.015 0.000 1.045 346 V CA 1.549 63.840 62.300 -0.015 0.000 1.058 346 V CB -0.187 31.629 31.823 -0.012 0.000 0.689 346 V HN 0.481 nan 8.190 nan 0.000 0.461 347 A N -0.796 122.017 122.820 -0.013 0.000 1.930 347 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 347 A C 2.140 179.716 177.584 -0.015 0.000 1.175 347 A CA 1.684 53.713 52.037 -0.013 0.000 0.627 347 A CB -0.426 18.568 19.000 -0.010 0.000 0.815 347 A HN 0.592 nan 8.150 nan 0.000 0.443 348 Q N -0.560 119.230 119.800 -0.016 0.000 2.061 348 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 348 Q C 1.834 177.821 176.000 -0.022 0.000 0.984 348 Q CA 1.838 57.630 55.803 -0.018 0.000 0.846 348 Q CB -0.301 28.426 28.738 -0.019 0.000 0.902 348 Q HN 0.780 nan 8.270 nan 0.000 0.421 349 I N -0.672 119.884 120.570 -0.024 0.000 3.226 349 I HA -0.089 4.081 4.170 -0.000 0.000 0.277 349 I C 2.317 178.417 176.117 -0.028 0.000 1.243 349 I CA 0.312 61.594 61.300 -0.030 0.000 1.459 349 I CB -0.054 37.926 38.000 -0.033 0.000 1.093 349 I HN 0.058 nan 8.210 nan 0.000 0.453 350 R N 0.906 121.393 120.500 -0.022 0.000 2.100 350 R HA -0.100 4.240 4.340 -0.000 0.000 0.220 350 R C 2.327 178.616 176.300 -0.018 0.000 1.091 350 R CA 0.971 57.059 56.100 -0.019 0.000 0.986 350 R CB 0.010 30.300 30.300 -0.016 0.000 0.888 350 R HN 0.318 nan 8.270 nan 0.000 0.444 351 Q N 0.208 119.998 119.800 -0.017 0.000 2.123 351 Q HA -0.153 4.187 4.340 -0.000 0.000 0.199 351 Q C 1.618 177.607 176.000 -0.017 0.000 0.966 351 Q CA 1.258 57.052 55.803 -0.015 0.000 0.845 351 Q CB 0.227 28.957 28.738 -0.013 0.000 0.907 351 Q HN 0.454 nan 8.270 nan 0.000 0.439 352 Q N -0.080 119.708 119.800 -0.021 0.000 2.437 352 Q HA -0.092 4.248 4.340 -0.000 0.000 0.210 352 Q C 1.723 177.707 176.000 -0.026 0.000 0.972 352 Q CA 0.612 56.400 55.803 -0.024 0.000 0.903 352 Q CB 0.096 28.815 28.738 -0.030 0.000 0.967 352 Q HN 0.462 nan 8.270 nan 0.000 0.486 353 I N 0.561 121.116 120.570 -0.025 0.000 2.617 353 I HA -0.188 3.982 4.170 -0.000 0.000 0.256 353 I C 1.816 177.923 176.117 -0.017 0.000 1.167 353 I CA 0.640 61.925 61.300 -0.024 0.000 1.469 353 I CB 0.035 38.021 38.000 -0.024 0.000 1.098 353 I HN 0.076 nan 8.210 nan 0.000 0.436 354 E N 0.975 121.166 120.200 -0.014 0.000 2.152 354 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 354 E C 1.603 178.197 176.600 -0.009 0.000 0.983 354 E CA 0.979 57.373 56.400 -0.010 0.000 0.818 354 E CB -0.251 29.443 29.700 -0.009 0.000 0.758 354 E HN 0.574 nan 8.360 nan 0.000 0.467 355 E N 0.629 120.823 120.200 -0.011 0.000 2.489 355 E HA 0.172 4.522 4.350 -0.000 0.000 0.193 355 E C 0.165 176.759 176.600 -0.009 0.000 1.057 355 E CA -0.054 56.341 56.400 -0.010 0.000 0.866 355 E CB 0.403 30.096 29.700 -0.012 0.000 0.916 355 E HN 0.048 nan 8.360 nan 0.000 0.500 356 A N 1.590 124.404 122.820 -0.011 0.000 2.438 356 A HA 0.087 4.407 4.320 -0.000 0.000 0.280 356 A C 1.204 178.789 177.584 0.001 0.000 1.160 356 A CA -0.182 51.850 52.037 -0.009 0.000 0.821 356 A CB -0.105 18.885 19.000 -0.017 0.000 1.101 356 A HN 0.191 nan 8.150 nan 0.000 0.515 357 T N -0.164 114.394 114.554 0.007 0.000 3.129 357 T HA 0.226 4.576 4.350 -0.000 0.000 0.251 357 T C 0.728 175.442 174.700 0.023 0.000 1.117 357 T CA 0.616 62.723 62.100 0.013 0.000 1.034 357 T CB -0.187 68.689 68.868 0.012 0.000 0.968 357 T HN 0.650 nan 8.240 nan 0.000 0.526 358 S N -0.484 115.235 115.700 0.031 0.000 2.599 358 S HA 0.380 4.850 4.470 -0.000 0.000 0.294 358 S C 0.036 174.667 174.600 0.053 0.000 1.094 358 S CA -0.722 57.511 58.200 0.054 0.000 0.931 358 S CB 1.686 64.942 63.200 0.094 0.000 1.093 358 S HN 0.070 nan 8.310 nan 0.000 0.488 359 D N 1.161 121.603 120.400 0.070 0.000 2.194 359 D HA -0.034 4.606 4.640 -0.000 0.000 0.204 359 D C 1.196 177.551 176.300 0.092 0.000 0.964 359 D CA 1.123 55.162 54.000 0.064 0.000 0.846 359 D CB -0.094 40.743 40.800 0.062 0.000 0.962 359 D HN 0.683 nan 8.370 nan 0.000 0.490 360 Y N 2.160 122.459 120.300 -0.001 0.000 2.176 360 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 360 Y C 1.567 177.461 175.900 -0.009 0.000 1.122 360 Y CA 1.576 59.676 58.100 -0.000 0.000 1.128 360 Y CB -0.238 38.224 38.460 0.004 0.000 1.005 360 Y HN -0.229 nan 8.280 nan 0.000 0.509 361 D N 0.134 120.473 120.400 -0.101 0.000 2.116 361 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 361 D C 2.235 178.439 176.300 -0.160 0.000 0.998 361 D CA 1.752 55.643 54.000 -0.181 0.000 0.836 361 D CB -0.361 40.420 40.800 -0.032 0.000 0.951 361 D HN 0.287 nan 8.370 nan 0.000 0.449 362 R N 0.477 120.927 120.500 -0.082 0.000 2.083 362 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 362 R C 1.968 178.215 176.300 -0.089 0.000 1.137 362 R CA 1.487 57.548 56.100 -0.064 0.000 0.951 362 R CB -0.024 30.260 30.300 -0.026 0.000 0.851 362 R HN 0.282 nan 8.270 nan 0.000 0.434 363 E N -0.327 119.809 120.200 -0.107 0.000 2.150 363 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 363 E C 1.862 178.369 176.600 -0.156 0.000 0.985 363 E CA 0.745 57.082 56.400 -0.105 0.000 0.814 363 E CB 0.187 29.849 29.700 -0.064 0.000 0.752 363 E HN 0.127 nan 8.360 nan 0.000 0.466 364 K N 0.476 120.715 120.400 -0.269 0.000 2.155 364 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 364 K C 2.096 178.602 176.600 -0.157 0.000 1.052 364 K CA 0.601 56.736 56.287 -0.252 0.000 0.948 364 K CB -0.072 32.196 32.500 -0.386 0.000 0.728 364 K HN 0.202 nan 8.250 nan 0.000 0.448 365 L N 0.592 121.732 121.223 -0.140 0.000 2.072 365 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 365 L C 2.382 179.212 176.870 -0.067 0.000 1.079 365 L CA 1.107 55.891 54.840 -0.094 0.000 0.752 365 L CB -0.335 41.675 42.059 -0.082 0.000 0.906 365 L HN 0.151 nan 8.230 nan 0.000 0.436 366 Q N -0.240 119.523 119.800 -0.062 0.000 2.291 366 Q HA -0.185 4.155 4.340 -0.000 0.000 0.205 366 Q C 2.000 177.978 176.000 -0.037 0.000 0.970 366 Q CA 0.995 56.772 55.803 -0.042 0.000 0.876 366 Q CB 0.070 28.787 28.738 -0.035 0.000 0.935 366 Q HN 0.497 nan 8.270 nan 0.000 0.455 367 E N 0.366 120.538 120.200 -0.047 0.000 2.051 367 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 367 E C 2.019 178.603 176.600 -0.027 0.000 0.991 367 E CA 0.715 57.094 56.400 -0.035 0.000 0.799 367 E CB 0.059 29.733 29.700 -0.043 0.000 0.748 367 E HN 0.263 nan 8.360 nan 0.000 0.449 368 R N 0.460 120.936 120.500 -0.040 0.000 2.080 368 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 368 R C 2.716 179.002 176.300 -0.023 0.000 1.137 368 R CA 1.879 57.958 56.100 -0.034 0.000 0.943 368 R CB -0.980 29.290 30.300 -0.049 0.000 0.846 368 R HN 0.229 nan 8.270 nan 0.000 0.431 369 V N -1.140 118.759 119.914 -0.025 0.000 2.392 369 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 369 V C 2.383 178.469 176.094 -0.012 0.000 1.059 369 V CA 1.853 64.142 62.300 -0.019 0.000 1.051 369 V CB -1.147 30.664 31.823 -0.021 0.000 0.658 369 V HN 0.295 nan 8.190 nan 0.000 0.455 370 A N 0.683 123.496 122.820 -0.012 0.000 1.933 370 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 370 A C 2.332 179.916 177.584 -0.001 0.000 1.175 370 A CA 2.148 54.181 52.037 -0.007 0.000 0.628 370 A CB -0.510 18.486 19.000 -0.007 0.000 0.814 370 A HN 0.648 nan 8.150 nan 0.000 0.444 371 K N -1.096 119.306 120.400 0.004 0.000 2.116 371 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 371 K C 1.695 178.304 176.600 0.014 0.000 1.052 371 K CA 0.934 57.230 56.287 0.016 0.000 0.952 371 K CB -0.210 32.309 32.500 0.031 0.000 0.729 371 K HN 0.302 nan 8.250 nan 0.000 0.446 372 L N 0.525 121.752 121.223 0.006 0.000 2.049 372 L HA -0.021 4.319 4.340 -0.000 0.000 0.203 372 L C 2.316 179.186 176.870 0.001 0.000 1.074 372 L CA 1.608 56.450 54.840 0.004 0.000 0.749 372 L CB -0.613 41.444 42.059 -0.003 0.000 0.907 372 L HN 0.096 nan 8.230 nan 0.000 0.439 373 A N -0.757 122.061 122.820 -0.003 0.000 2.016 373 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 373 A C 2.337 179.920 177.584 -0.003 0.000 1.162 373 A CA 1.216 53.251 52.037 -0.004 0.000 0.662 373 A CB -1.224 17.772 19.000 -0.006 0.000 0.812 373 A HN 0.422 nan 8.150 nan 0.000 0.450 374 G N -0.464 108.335 108.800 -0.002 0.000 2.418 374 G HA2 0.290 4.250 3.960 -0.000 0.000 0.217 374 G HA3 0.290 4.250 3.960 -0.000 0.000 0.217 374 G C 1.255 176.154 174.900 -0.002 0.000 1.158 374 G CA 0.841 45.940 45.100 -0.002 0.000 0.771 374 G HN 1.650 nan 8.290 nan 0.000 0.545 375 G N -1.662 107.139 108.800 0.001 0.000 2.749 375 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.242 375 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.242 375 G C -0.518 174.382 174.900 -0.000 0.000 1.364 375 G CA -0.147 44.954 45.100 0.002 0.000 0.888 375 G HN 1.048 nan 8.290 nan 0.000 0.566 376 V N 0.590 120.503 119.914 -0.002 0.000 2.588 376 V HA 0.731 4.851 4.120 -0.000 0.000 0.304 376 V C 0.820 176.909 176.094 -0.009 0.000 1.042 376 V CA 0.018 62.314 62.300 -0.006 0.000 0.877 376 V CB 1.346 33.165 31.823 -0.006 0.000 0.996 376 V HN 1.949 nan 8.190 nan 0.000 0.425 377 A N 4.557 127.370 122.820 -0.011 0.000 2.304 377 A HA 0.822 5.142 4.320 -0.000 0.000 0.301 377 A C -0.653 176.924 177.584 -0.012 0.000 1.132 377 A CA -0.413 51.618 52.037 -0.011 0.000 0.819 377 A CB 1.130 20.123 19.000 -0.012 0.000 1.094 377 A HN 0.742 nan 8.150 nan 0.000 0.492 378 V N 3.585 123.493 119.914 -0.010 0.000 2.443 378 V HA 0.303 4.423 4.120 -0.000 0.000 0.293 378 V C -0.480 175.609 176.094 -0.008 0.000 1.021 378 V CA -0.096 62.198 62.300 -0.009 0.000 0.848 378 V CB 1.285 33.103 31.823 -0.009 0.000 0.998 378 V HN 0.726 nan 8.190 nan 0.000 0.424 379 I N 4.876 125.442 120.570 -0.007 0.000 2.297 379 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 379 I C 0.214 176.328 176.117 -0.004 0.000 1.033 379 I CA -0.369 60.928 61.300 -0.005 0.000 1.253 379 I CB 0.955 38.953 38.000 -0.005 0.000 1.396 379 I HN 0.470 nan 8.210 nan 0.000 0.476 380 K N 6.059 126.456 120.400 -0.004 0.000 2.299 380 K HA 0.412 4.732 4.320 -0.000 0.000 0.268 380 K C -0.804 175.794 176.600 -0.003 0.000 1.075 380 K CA -0.561 55.724 56.287 -0.004 0.000 0.936 380 K CB 1.734 34.231 32.500 -0.005 0.000 1.228 380 K HN 0.344 nan 8.250 nan 0.000 0.454 381 V N 2.807 122.719 119.914 -0.002 0.000 2.427 381 V HA 0.196 4.316 4.120 -0.000 0.000 0.268 381 V C 0.804 176.896 176.094 -0.002 0.000 1.046 381 V CA -0.503 61.795 62.300 -0.002 0.000 0.970 381 V CB 1.010 32.833 31.823 -0.001 0.000 1.001 381 V HN 0.849 nan 8.190 nan 0.000 0.476 382 G N 3.009 111.808 108.800 -0.002 0.000 2.367 382 G HA2 0.611 4.571 3.960 -0.000 0.000 0.314 382 G HA3 0.611 4.571 3.960 -0.000 0.000 0.314 382 G C 0.278 175.176 174.900 -0.002 0.000 1.130 382 G CA 0.222 45.320 45.100 -0.002 0.000 0.864 382 G HN 1.049 nan 8.290 nan 0.000 0.486 383 A N 0.406 123.225 122.820 -0.002 0.000 2.692 383 A HA 0.768 5.088 4.320 -0.000 0.000 0.175 383 A C 0.762 178.344 177.584 -0.002 0.000 1.537 383 A CA 1.084 53.119 52.037 -0.002 0.000 1.134 383 A CB -0.389 18.610 19.000 -0.002 0.000 1.419 383 A HN 2.740 nan 8.150 nan 0.000 0.514 384 A N -0.170 122.648 122.820 -0.002 0.000 2.434 384 A HA 0.504 4.824 4.320 -0.000 0.000 0.686 384 A C 0.905 178.488 177.584 -0.002 0.000 0.138 384 A CA 0.694 52.730 52.037 -0.002 0.000 0.027 384 A CB -2.487 16.512 19.000 -0.002 0.000 3.973 384 A HN 3.174 nan 8.150 nan 0.000 0.548 385 T N -0.391 114.162 114.554 -0.003 0.000 0.543 385 T HA -0.130 4.220 4.350 -0.000 0.000 0.774 385 T C 0.326 175.024 174.700 -0.003 0.000 0.992 385 T CA 1.661 63.759 62.100 -0.003 0.000 4.075 385 T CB -0.925 67.942 68.868 -0.003 0.000 2.302 385 T HN 2.134 nan 8.240 nan 0.000 0.398 386 E N 1.337 121.536 120.200 -0.003 0.000 2.409 386 E HA -0.022 4.328 4.350 -0.000 0.000 0.198 386 E C 1.881 178.479 176.600 -0.003 0.000 1.024 386 E CA 1.308 57.706 56.400 -0.003 0.000 0.861 386 E CB -0.024 29.674 29.700 -0.003 0.000 0.788 386 E HN 0.656 nan 8.360 nan 0.000 0.521 387 V N 0.872 120.785 119.914 -0.003 0.000 2.302 387 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 387 V C 1.844 177.936 176.094 -0.002 0.000 1.036 387 V CA 1.786 64.085 62.300 -0.003 0.000 1.020 387 V CB -0.360 31.462 31.823 -0.003 0.000 0.657 387 V HN 0.230 nan 8.190 nan 0.000 0.453 388 E N -0.283 119.916 120.200 -0.002 0.000 2.347 388 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 388 E C 2.060 178.659 176.600 -0.002 0.000 1.008 388 E CA 0.779 57.177 56.400 -0.002 0.000 0.852 388 E CB -0.113 29.586 29.700 -0.002 0.000 0.783 388 E HN 0.426 nan 8.360 nan 0.000 0.505 389 M N 0.746 120.345 119.600 -0.002 0.000 2.193 389 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 389 M C 1.617 177.916 176.300 -0.001 0.000 1.071 389 M CA 1.385 56.684 55.300 -0.002 0.000 1.140 389 M CB 0.085 32.684 32.600 -0.002 0.000 1.369 389 M HN -0.138 nan 8.290 nan 0.000 0.423 390 K N 0.166 120.565 120.400 -0.001 0.000 2.167 390 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 390 K C 1.875 178.474 176.600 -0.001 0.000 1.052 390 K CA 0.644 56.931 56.287 -0.001 0.000 0.956 390 K CB -0.335 32.164 32.500 -0.002 0.000 0.735 390 K HN 0.408 nan 8.250 nan 0.000 0.451 391 E N 1.784 121.983 120.200 -0.001 0.000 2.007 391 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 391 E C 1.946 178.545 176.600 -0.001 0.000 0.999 391 E CA 1.373 57.772 56.400 -0.001 0.000 0.811 391 E CB 0.069 29.768 29.700 -0.002 0.000 0.762 391 E HN 0.116 nan 8.360 nan 0.000 0.450 392 K N 0.868 121.268 120.400 -0.001 0.000 2.044 392 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 392 K C 2.387 178.988 176.600 0.002 0.000 1.049 392 K CA 1.946 58.233 56.287 0.000 0.000 0.927 392 K CB -0.170 32.329 32.500 -0.001 0.000 0.713 392 K HN -0.027 nan 8.250 nan 0.000 0.443 393 K N 0.147 120.548 120.400 0.002 0.000 2.015 393 K HA -0.249 4.071 4.320 -0.000 0.000 0.216 393 K C 1.985 178.589 176.600 0.006 0.000 1.052 393 K CA 1.771 58.060 56.287 0.004 0.000 0.937 393 K CB -0.321 32.180 32.500 0.003 0.000 0.719 393 K HN 0.228 nan 8.250 nan 0.000 0.446 394 A N 1.536 124.359 122.820 0.005 0.000 1.892 394 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 394 A C 2.141 179.730 177.584 0.008 0.000 1.188 394 A CA 1.877 53.917 52.037 0.006 0.000 0.631 394 A CB -0.669 18.332 19.000 0.002 0.000 0.822 394 A HN 0.419 nan 8.150 nan 0.000 0.447 395 R N -0.822 119.682 120.500 0.006 0.000 2.117 395 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 395 R C 1.983 178.290 176.300 0.012 0.000 1.143 395 R CA 1.613 57.717 56.100 0.006 0.000 0.968 395 R CB -0.581 29.721 30.300 0.003 0.000 0.863 395 R HN 0.452 nan 8.270 nan 0.000 0.444 396 V N 0.771 120.692 119.914 0.012 0.000 2.453 396 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 396 V C 1.946 178.056 176.094 0.026 0.000 1.048 396 V CA 1.571 63.880 62.300 0.015 0.000 1.049 396 V CB -0.358 31.471 31.823 0.010 0.000 0.672 396 V HN 0.328 nan 8.190 nan 0.000 0.457 397 E N 0.020 120.238 120.200 0.031 0.000 2.077 397 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 397 E C 1.914 178.564 176.600 0.082 0.000 0.989 397 E CA 1.477 57.909 56.400 0.053 0.000 0.800 397 E CB -0.097 29.629 29.700 0.043 0.000 0.746 397 E HN 0.625 nan 8.360 nan 0.000 0.452 398 D N 0.332 120.763 120.400 0.052 0.000 2.085 398 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 398 D C 1.997 178.339 176.300 0.069 0.000 0.981 398 D CA 1.217 55.249 54.000 0.053 0.000 0.834 398 D CB -0.300 40.511 40.800 0.018 0.000 0.992 398 D HN 0.115 nan 8.370 nan 0.000 0.457 399 A N 1.166 124.011 122.820 0.042 0.000 1.917 399 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 399 A C 2.197 179.803 177.584 0.038 0.000 1.182 399 A CA 1.190 53.247 52.037 0.033 0.000 0.633 399 A CB -0.860 18.150 19.000 0.018 0.000 0.819 399 A HN 0.201 nan 8.150 nan 0.000 0.448 400 L N -0.823 120.423 121.223 0.038 0.000 1.944 400 L HA -0.249 4.091 4.340 -0.000 0.000 0.218 400 L C 2.454 179.338 176.870 0.024 0.000 1.075 400 L CA 2.662 57.513 54.840 0.018 0.000 0.767 400 L CB -0.924 41.139 42.059 0.008 0.000 0.890 400 L HN 0.576 nan 8.230 nan 0.000 0.434 401 H N -0.658 118.410 119.070 -0.004 0.000 2.362 401 H HA -0.226 4.330 4.556 -0.000 0.000 0.294 401 H C 1.949 177.277 175.328 -0.000 0.000 1.113 401 H CA 1.879 57.925 56.048 -0.003 0.000 1.253 401 H CB -0.059 29.702 29.762 -0.003 0.000 1.363 401 H HN 0.549 nan 8.280 nan 0.000 0.494 402 A N -0.183 122.717 122.820 0.132 0.000 1.841 402 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 402 A C 2.668 180.277 177.584 0.042 0.000 1.195 402 A CA 2.173 54.257 52.037 0.078 0.000 0.611 402 A CB -0.980 18.051 19.000 0.051 0.000 0.835 402 A HN 0.482 nan 8.150 nan 0.000 0.443 403 T N -0.264 114.304 114.554 0.025 0.000 2.803 403 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 403 T C 2.057 176.755 174.700 -0.003 0.000 1.052 403 T CA 1.190 63.295 62.100 0.008 0.000 1.136 403 T CB -0.285 68.585 68.868 0.002 0.000 0.864 403 T HN 0.265 nan 8.240 nan 0.000 0.467 404 R N 1.601 122.090 120.500 -0.018 0.000 2.112 404 R HA -0.038 4.302 4.340 -0.000 0.000 0.242 404 R C 2.502 178.791 176.300 -0.017 0.000 1.137 404 R CA 1.976 58.049 56.100 -0.045 0.000 0.944 404 R CB -1.090 29.137 30.300 -0.122 0.000 0.857 404 R HN 0.484 nan 8.270 nan 0.000 0.435 405 A N -0.565 122.261 122.820 0.010 0.000 2.206 405 A HA 0.184 4.504 4.320 -0.000 0.000 0.211 405 A C 2.010 179.605 177.584 0.018 0.000 1.158 405 A CA 1.136 53.187 52.037 0.025 0.000 0.761 405 A CB -0.140 18.892 19.000 0.053 0.000 0.801 405 A HN 0.385 nan 8.150 nan 0.000 0.473 406 A N -0.814 122.014 122.820 0.013 0.000 1.984 406 A HA 0.207 4.527 4.320 -0.000 0.000 0.214 406 A C 1.976 179.563 177.584 0.005 0.000 1.173 406 A CA 1.217 53.260 52.037 0.010 0.000 0.673 406 A CB -0.386 18.619 19.000 0.009 0.000 0.830 406 A HN 0.269 nan 8.150 nan 0.000 0.453 407 V N 0.249 120.164 119.914 0.001 0.000 2.548 407 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 407 V C 2.297 178.391 176.094 -0.001 0.000 1.055 407 V CA 2.018 64.316 62.300 -0.002 0.000 1.065 407 V CB -0.567 31.252 31.823 -0.007 0.000 0.681 407 V HN 0.600 nan 8.190 nan 0.000 0.462 408 E N -0.139 120.061 120.200 0.001 0.000 2.051 408 E HA -0.130 4.220 4.350 -0.000 0.000 0.189 408 E C 1.795 178.398 176.600 0.005 0.000 0.979 408 E CA 1.210 57.612 56.400 0.002 0.000 0.803 408 E CB 0.069 29.771 29.700 0.003 0.000 0.761 408 E HN 0.637 nan 8.360 nan 0.000 0.451 409 E N -0.718 119.486 120.200 0.007 0.000 2.572 409 E HA 0.201 4.551 4.350 -0.000 0.000 0.220 409 E C 0.436 177.040 176.600 0.007 0.000 0.945 409 E CA 0.171 56.576 56.400 0.007 0.000 1.070 409 E CB 1.607 31.312 29.700 0.009 0.000 1.090 409 E HN 0.223 nan 8.360 nan 0.000 0.506 410 G N 1.258 110.063 108.800 0.007 0.000 2.587 410 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.212 410 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.212 410 G C -0.428 174.477 174.900 0.009 0.000 1.327 410 G CA -0.464 44.641 45.100 0.008 0.000 0.898 410 G HN 0.455 nan 8.290 nan 0.000 0.551 411 V N -2.625 117.294 119.914 0.009 0.000 2.876 411 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 411 V C 0.528 176.628 176.094 0.009 0.000 1.085 411 V CA -0.020 62.285 62.300 0.009 0.000 0.945 411 V CB 1.103 32.931 31.823 0.007 0.000 1.017 411 V HN 2.357 nan 8.190 nan 0.000 0.428 412 V N -0.149 119.770 119.914 0.009 0.000 3.141 412 V HA 1.034 5.154 4.120 -0.000 0.000 0.312 412 V C 0.485 176.583 176.094 0.006 0.000 1.157 412 V CA -0.671 61.635 62.300 0.010 0.000 1.041 412 V CB 1.419 33.249 31.823 0.012 0.000 1.071 412 V HN 1.865 nan 8.190 nan 0.000 0.441 413 A N 0.622 123.446 122.820 0.007 0.000 2.477 413 A HA 0.713 5.033 4.320 -0.000 0.000 0.246 413 A C 0.686 178.265 177.584 -0.008 0.000 1.078 413 A CA 0.521 52.556 52.037 -0.003 0.000 0.770 413 A CB -0.256 18.742 19.000 -0.003 0.000 1.011 413 A HN 1.885 nan 8.150 nan 0.000 0.494 414 G N -0.210 108.579 108.800 -0.018 0.000 2.537 414 G HA2 0.556 4.516 3.960 -0.000 0.000 0.297 414 G HA3 0.556 4.516 3.960 -0.000 0.000 0.297 414 G C 0.985 175.869 174.900 -0.027 0.000 1.310 414 G CA -0.135 44.953 45.100 -0.019 0.000 1.027 414 G HN 2.209 nan 8.290 nan 0.000 0.505 415 G N -2.178 106.608 108.800 -0.023 0.000 2.143 415 G HA2 0.225 4.185 3.960 -0.000 0.000 0.249 415 G HA3 0.225 4.185 3.960 -0.000 0.000 0.249 415 G C 1.438 176.336 174.900 -0.003 0.000 0.981 415 G CA 1.004 46.091 45.100 -0.021 0.000 0.665 415 G HN 2.558 nan 8.290 nan 0.000 0.528 416 G N -2.046 106.753 108.800 -0.000 0.000 2.148 416 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.254 416 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.254 416 G C 1.808 176.715 174.900 0.012 0.000 0.981 416 G CA 1.935 47.039 45.100 0.008 0.000 0.670 416 G HN 2.257 nan 8.290 nan 0.000 0.528 417 V N -2.621 117.297 119.914 0.007 0.000 3.129 417 V HA 0.533 4.653 4.120 -0.000 0.000 0.259 417 V C 2.637 178.743 176.094 0.020 0.000 1.116 417 V CA 1.601 63.909 62.300 0.013 0.000 1.127 417 V CB -0.308 31.513 31.823 -0.004 0.000 0.742 417 V HN 1.296 nan 8.190 nan 0.000 0.474 418 A N 1.130 123.959 122.820 0.015 0.000 1.902 418 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 418 A C 2.167 179.763 177.584 0.021 0.000 1.181 418 A CA 2.199 54.247 52.037 0.018 0.000 0.623 418 A CB -0.678 18.331 19.000 0.014 0.000 0.818 418 A HN 0.588 nan 8.150 nan 0.000 0.443 419 L N -1.072 120.162 121.223 0.019 0.000 2.141 419 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 419 L C 2.342 179.226 176.870 0.023 0.000 1.094 419 L CA 1.063 55.914 54.840 0.019 0.000 0.763 419 L CB -0.232 41.837 42.059 0.017 0.000 0.908 419 L HN 0.438 nan 8.230 nan 0.000 0.437 420 I N -0.753 119.834 120.570 0.027 0.000 3.226 420 I HA -0.135 4.035 4.170 -0.000 0.000 0.277 420 I C 2.472 178.614 176.117 0.042 0.000 1.243 420 I CA 0.267 61.587 61.300 0.033 0.000 1.459 420 I CB 0.151 38.172 38.000 0.037 0.000 1.093 420 I HN 0.145 nan 8.210 nan 0.000 0.453 421 R N -0.052 120.474 120.500 0.044 0.000 2.173 421 R HA 0.032 4.372 4.340 -0.000 0.000 0.208 421 R C 1.742 178.065 176.300 0.038 0.000 1.035 421 R CA 1.231 57.361 56.100 0.051 0.000 1.004 421 R CB -0.431 29.904 30.300 0.059 0.000 0.917 421 R HN 0.162 nan 8.270 nan 0.000 0.462 422 V N 0.521 120.453 119.914 0.030 0.000 2.488 422 V HA 0.010 4.130 4.120 -0.000 0.000 0.246 422 V C 2.110 178.215 176.094 0.020 0.000 1.046 422 V CA 1.651 63.964 62.300 0.022 0.000 1.053 422 V CB -0.282 31.552 31.823 0.017 0.000 0.679 422 V HN 0.474 nan 8.190 nan 0.000 0.458 423 A N 0.483 123.316 122.820 0.021 0.000 2.016 423 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 423 A C 2.478 180.074 177.584 0.020 0.000 1.162 423 A CA 1.620 53.669 52.037 0.018 0.000 0.662 423 A CB -0.457 18.554 19.000 0.018 0.000 0.812 423 A HN 0.647 nan 8.150 nan 0.000 0.450 424 S N 0.167 115.883 115.700 0.026 0.000 2.387 424 S HA -0.082 4.388 4.470 -0.000 0.000 0.226 424 S C 1.538 176.151 174.600 0.023 0.000 1.026 424 S CA 1.234 59.450 58.200 0.027 0.000 0.972 424 S CB -0.336 62.887 63.200 0.038 0.000 0.814 424 S HN 0.558 nan 8.310 nan 0.000 0.477 425 K N 0.704 121.118 120.400 0.022 0.000 2.505 425 K HA 0.307 4.627 4.320 -0.000 0.000 0.192 425 K C 0.442 177.051 176.600 0.014 0.000 1.025 425 K CA 0.195 56.492 56.287 0.018 0.000 1.086 425 K CB -0.139 32.373 32.500 0.019 0.000 0.840 425 K HN 0.411 nan 8.250 nan 0.000 0.514 426 L N -0.502 120.729 121.223 0.013 0.000 3.122 426 L HA 0.240 4.580 4.340 -0.000 0.000 0.274 426 L C 1.609 178.484 176.870 0.009 0.000 1.222 426 L CA -0.189 54.657 54.840 0.010 0.000 1.028 426 L CB 0.481 42.546 42.059 0.009 0.000 1.386 426 L HN 0.030 nan 8.230 nan 0.000 0.578 427 A N -0.046 122.780 122.820 0.010 0.000 2.084 427 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 427 A C 1.624 179.212 177.584 0.007 0.000 1.161 427 A CA 1.844 53.886 52.037 0.009 0.000 0.653 427 A CB -0.187 18.819 19.000 0.010 0.000 0.802 427 A HN 0.383 nan 8.150 nan 0.000 0.457 428 D N -1.397 119.007 120.400 0.007 0.000 2.379 428 D HA 0.128 4.768 4.640 -0.000 0.000 0.208 428 D C 0.162 176.464 176.300 0.005 0.000 1.065 428 D CA -0.262 53.741 54.000 0.005 0.000 0.848 428 D CB 0.018 40.821 40.800 0.005 0.000 0.949 428 D HN 0.346 nan 8.370 nan 0.000 0.509 429 L N 2.631 123.857 121.223 0.005 0.000 2.615 429 L HA 0.011 4.351 4.340 -0.000 0.000 0.271 429 L C 0.154 177.027 176.870 0.004 0.000 1.183 429 L CA 0.600 55.443 54.840 0.005 0.000 0.933 429 L CB -0.038 42.024 42.059 0.005 0.000 1.199 429 L HN -0.242 nan 8.230 nan 0.000 0.487 430 R N 3.299 123.802 120.500 0.004 0.000 2.892 430 R HA 0.714 5.054 4.340 -0.000 0.000 0.265 430 R C 0.086 176.388 176.300 0.003 0.000 1.025 430 R CA -0.230 55.872 56.100 0.004 0.000 0.982 430 R CB 1.471 31.773 30.300 0.003 0.000 1.185 430 R HN 0.764 nan 8.270 nan 0.000 0.484 431 G N -0.326 108.475 108.800 0.003 0.000 3.194 431 G HA2 0.177 4.137 3.960 -0.000 0.000 0.160 431 G HA3 0.177 4.137 3.960 -0.000 0.000 0.160 431 G C 0.100 175.002 174.900 0.003 0.000 1.267 431 G CA -0.028 45.074 45.100 0.003 0.000 0.962 431 G HN 0.426 nan 8.290 nan 0.000 0.612 432 Q N -0.714 119.088 119.800 0.003 0.000 2.423 432 Q HA 0.181 4.521 4.340 -0.000 0.000 0.231 432 Q C 0.238 176.240 176.000 0.003 0.000 0.894 432 Q CA 0.405 56.210 55.803 0.003 0.000 0.938 432 Q CB 0.498 29.238 28.738 0.003 0.000 1.079 432 Q HN 0.643 nan 8.270 nan 0.000 0.552 433 N N -1.369 117.333 118.700 0.003 0.000 3.167 433 N HA 0.180 4.920 4.740 -0.000 0.000 0.323 433 N C 0.010 175.522 175.510 0.004 0.000 1.478 433 N CA -0.625 52.427 53.050 0.003 0.000 0.753 433 N CB 0.446 38.935 38.487 0.004 0.000 1.721 433 N HN -0.326 nan 8.380 nan 0.000 0.618 434 K N -0.880 119.522 120.400 0.004 0.000 2.296 434 K HA 0.112 4.432 4.320 -0.000 0.000 0.200 434 K C 0.244 176.847 176.600 0.004 0.000 1.048 434 K CA 1.195 57.485 56.287 0.004 0.000 0.966 434 K CB -0.356 32.146 32.500 0.003 0.000 0.754 434 K HN 0.537 nan 8.250 nan 0.000 0.466 435 D N 0.288 120.690 120.400 0.005 0.000 2.149 435 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 435 D C 1.726 178.030 176.300 0.006 0.000 0.972 435 D CA 0.924 54.928 54.000 0.006 0.000 0.835 435 D CB 0.016 40.820 40.800 0.006 0.000 0.966 435 D HN 0.318 nan 8.370 nan 0.000 0.476 436 Q N 0.340 120.143 119.800 0.005 0.000 2.050 436 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 436 Q C 1.761 177.765 176.000 0.005 0.000 0.980 436 Q CA 1.006 56.813 55.803 0.005 0.000 0.840 436 Q CB -0.158 28.583 28.738 0.005 0.000 0.898 436 Q HN 0.245 nan 8.270 nan 0.000 0.424 437 N N 0.318 119.021 118.700 0.005 0.000 2.104 437 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 437 N C 1.849 177.362 175.510 0.005 0.000 1.024 437 N CA 1.152 54.205 53.050 0.005 0.000 0.853 437 N CB -0.588 37.901 38.487 0.004 0.000 1.008 437 N HN 0.044 nan 8.380 nan 0.000 0.424 438 V N 0.542 120.459 119.914 0.006 0.000 2.332 438 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 438 V C 2.383 178.481 176.094 0.007 0.000 1.055 438 V CA 2.055 64.358 62.300 0.006 0.000 1.038 438 V CB -1.304 30.523 31.823 0.006 0.000 0.651 438 V HN 0.405 nan 8.190 nan 0.000 0.450 439 G N -0.215 108.589 108.800 0.007 0.000 2.422 439 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 439 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 439 G C 1.552 176.457 174.900 0.007 0.000 1.140 439 G CA 0.762 45.866 45.100 0.008 0.000 0.775 439 G HN 0.508 nan 8.290 nan 0.000 0.545 440 I N 0.307 120.881 120.570 0.007 0.000 2.226 440 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 440 I C 2.719 178.840 176.117 0.007 0.000 1.100 440 I CA 0.910 62.214 61.300 0.006 0.000 1.374 440 I CB -0.096 37.908 38.000 0.006 0.000 1.057 440 I HN -0.025 nan 8.210 nan 0.000 0.413 441 K N 0.688 121.093 120.400 0.007 0.000 2.026 441 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 441 K C 2.187 178.792 176.600 0.008 0.000 1.048 441 K CA 1.120 57.412 56.287 0.008 0.000 0.929 441 K CB -0.639 31.865 32.500 0.007 0.000 0.713 441 K HN 0.205 nan 8.250 nan 0.000 0.439 442 V N 1.724 121.643 119.914 0.009 0.000 2.469 442 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 442 V C 2.474 178.574 176.094 0.010 0.000 1.064 442 V CA 1.923 64.228 62.300 0.009 0.000 1.066 442 V CB -0.811 31.018 31.823 0.010 0.000 0.667 442 V HN 0.289 nan 8.190 nan 0.000 0.461 443 A N -0.108 122.718 122.820 0.010 0.000 1.873 443 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 443 A C 2.193 179.784 177.584 0.011 0.000 1.186 443 A CA 1.671 53.714 52.037 0.010 0.000 0.616 443 A CB -0.461 18.544 19.000 0.008 0.000 0.823 443 A HN 0.496 nan 8.150 nan 0.000 0.442 444 L N -1.193 120.036 121.223 0.010 0.000 2.056 444 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 444 L C 2.798 179.675 176.870 0.013 0.000 1.078 444 L CA 1.303 56.150 54.840 0.012 0.000 0.749 444 L CB -0.475 41.591 42.059 0.011 0.000 0.901 444 L HN 0.301 nan 8.230 nan 0.000 0.433 445 R N -0.005 120.502 120.500 0.011 0.000 2.120 445 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 445 R C 2.323 178.630 176.300 0.012 0.000 1.123 445 R CA 1.183 57.290 56.100 0.011 0.000 0.975 445 R CB -0.364 29.942 30.300 0.010 0.000 0.866 445 R HN 0.363 nan 8.270 nan 0.000 0.446 446 A N 0.427 123.254 122.820 0.012 0.000 2.066 446 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 446 A C 1.905 179.498 177.584 0.014 0.000 1.157 446 A CA 0.918 52.963 52.037 0.013 0.000 0.670 446 A CB -0.204 18.804 19.000 0.014 0.000 0.804 446 A HN 0.194 nan 8.150 nan 0.000 0.453 447 M N -0.663 118.946 119.600 0.015 0.000 2.595 447 M HA -0.012 4.468 4.480 -0.000 0.000 0.248 447 M C 1.405 177.715 176.300 0.017 0.000 1.119 447 M CA 0.728 56.038 55.300 0.016 0.000 1.079 447 M CB -0.076 32.533 32.600 0.016 0.000 1.472 447 M HN 0.457 nan 8.290 nan 0.000 0.501 448 E N 0.836 121.045 120.200 0.016 0.000 2.170 448 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 448 E C 2.222 178.831 176.600 0.014 0.000 0.981 448 E CA 0.747 57.157 56.400 0.016 0.000 0.830 448 E CB -0.100 29.610 29.700 0.016 0.000 0.775 448 E HN 0.474 nan 8.360 nan 0.000 0.470 449 A N 2.534 125.361 122.820 0.012 0.000 1.929 449 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 449 A C -0.290 177.300 177.584 0.011 0.000 1.211 449 A CA 1.894 53.937 52.037 0.011 0.000 0.657 449 A CB -1.706 17.301 19.000 0.011 0.000 0.827 449 A HN 0.163 nan 8.150 nan 0.000 0.462 450 P HA -0.188 nan 4.420 nan 0.000 0.213 450 P C 1.861 179.169 177.300 0.013 0.000 1.170 450 P CA 1.270 64.377 63.100 0.013 0.000 0.902 450 P CB -0.188 31.520 31.700 0.013 0.000 0.789 451 L N -0.815 120.418 121.223 0.015 0.000 1.970 451 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 451 L C 2.607 179.486 176.870 0.015 0.000 1.071 451 L CA 1.895 56.746 54.840 0.018 0.000 0.751 451 L CB -0.456 41.615 42.059 0.019 0.000 0.889 451 L HN -0.194 nan 8.230 nan 0.000 0.432 452 R N -0.738 119.767 120.500 0.008 0.000 2.112 452 R HA -0.285 4.055 4.340 -0.000 0.000 0.242 452 R C 2.351 178.654 176.300 0.005 0.000 1.137 452 R CA 2.144 58.245 56.100 0.002 0.000 0.944 452 R CB -0.576 29.725 30.300 0.002 0.000 0.857 452 R HN 0.430 nan 8.270 nan 0.000 0.435 453 Q N 0.981 120.786 119.800 0.008 0.000 2.124 453 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 453 Q C 1.888 177.895 176.000 0.013 0.000 0.977 453 Q CA 1.551 57.359 55.803 0.009 0.000 0.850 453 Q CB -0.153 28.589 28.738 0.008 0.000 0.901 453 Q HN 0.401 nan 8.270 nan 0.000 0.429 454 I N -0.714 119.866 120.570 0.017 0.000 2.286 454 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 454 I C 1.915 178.056 176.117 0.040 0.000 1.115 454 I CA 0.855 62.170 61.300 0.025 0.000 1.392 454 I CB -0.356 37.662 38.000 0.030 0.000 1.065 454 I HN 0.063 nan 8.210 nan 0.000 0.418 455 V N 0.697 120.633 119.914 0.037 0.000 2.453 455 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 455 V C 2.395 178.501 176.094 0.020 0.000 1.048 455 V CA 1.186 63.507 62.300 0.036 0.000 1.049 455 V CB -0.494 31.312 31.823 -0.027 0.000 0.672 455 V HN 0.316 nan 8.190 nan 0.000 0.457 456 L N 1.096 122.325 121.223 0.010 0.000 2.012 456 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 456 L C 2.222 179.100 176.870 0.013 0.000 1.073 456 L CA 1.991 56.836 54.840 0.007 0.000 0.748 456 L CB -0.920 41.142 42.059 0.005 0.000 0.891 456 L HN 0.303 nan 8.230 nan 0.000 0.431 457 N N -1.012 117.697 118.700 0.015 0.000 2.205 457 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 457 N C 1.812 177.334 175.510 0.019 0.000 1.015 457 N CA 1.692 54.751 53.050 0.014 0.000 0.862 457 N CB -0.889 37.605 38.487 0.012 0.000 0.986 457 N HN 0.432 nan 8.380 nan 0.000 0.429 458 C N -0.556 118.763 119.300 0.032 0.000 2.456 458 C HA 0.177 4.637 4.460 -0.000 0.000 0.279 458 C C 1.666 176.677 174.990 0.036 0.000 1.427 458 C CA 0.561 59.604 59.018 0.042 0.000 1.778 458 C CB -1.301 26.489 27.740 0.084 0.000 1.842 458 C HN 0.658 nan 8.230 nan 0.000 0.531 459 G N 0.817 109.633 108.800 0.026 0.000 2.137 459 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.237 459 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.237 459 G C -0.354 174.558 174.900 0.019 0.000 1.002 459 G CA 0.109 45.221 45.100 0.019 0.000 0.702 459 G HN 0.536 nan 8.290 nan 0.000 0.515 460 E N 0.086 120.295 120.200 0.016 0.000 2.263 460 E HA 0.420 4.770 4.350 -0.000 0.000 0.264 460 E C -0.087 176.498 176.600 -0.024 0.000 0.923 460 E CA -0.871 55.528 56.400 -0.003 0.000 0.802 460 E CB 1.128 30.822 29.700 -0.010 0.000 1.228 460 E HN 0.459 nan 8.360 nan 0.000 0.417 461 E N 2.115 122.295 120.200 -0.033 0.000 2.265 461 E HA 0.057 4.407 4.350 -0.000 0.000 0.272 461 E C -1.623 174.947 176.600 -0.050 0.000 1.067 461 E CA -1.474 54.907 56.400 -0.032 0.000 0.900 461 E CB 0.727 30.414 29.700 -0.023 0.000 1.017 461 E HN 0.158 nan 8.360 nan 0.000 0.431 462 P HA -0.158 nan 4.420 nan 0.000 0.215 462 P C 1.249 178.530 177.300 -0.032 0.000 1.157 462 P CA 0.964 64.040 63.100 -0.039 0.000 0.856 462 P CB 0.240 31.929 31.700 -0.019 0.000 0.786 463 S N -0.294 115.395 115.700 -0.019 0.000 2.370 463 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 463 S C 2.039 176.633 174.600 -0.010 0.000 1.033 463 S CA 1.568 59.762 58.200 -0.010 0.000 1.011 463 S CB -1.944 61.253 63.200 -0.006 0.000 0.852 463 S HN -0.059 nan 8.310 nan 0.000 0.457 464 V N 2.047 121.950 119.914 -0.018 0.000 2.233 464 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 464 V C 2.616 178.706 176.094 -0.007 0.000 1.050 464 V CA 1.867 64.157 62.300 -0.015 0.000 1.010 464 V CB -1.055 30.755 31.823 -0.021 0.000 0.637 464 V HN 0.453 nan 8.190 nan 0.000 0.444 465 V N 0.353 120.244 119.914 -0.038 0.000 2.427 465 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 465 V C 2.731 178.840 176.094 0.025 0.000 1.051 465 V CA 1.848 64.128 62.300 -0.034 0.000 1.048 465 V CB -1.272 30.376 31.823 -0.292 0.000 0.666 465 V HN 0.548 nan 8.190 nan 0.000 0.456 466 A N 0.821 123.641 122.820 -0.000 0.000 1.883 466 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 466 A C 2.105 179.719 177.584 0.050 0.000 1.186 466 A CA 2.440 54.492 52.037 0.025 0.000 0.624 466 A CB -0.886 18.121 19.000 0.011 0.000 0.822 466 A HN 0.609 nan 8.150 nan 0.000 0.444 467 N N -0.491 118.231 118.700 0.036 0.000 2.120 467 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 467 N C 1.632 177.177 175.510 0.058 0.000 1.024 467 N CA 2.352 55.424 53.050 0.037 0.000 0.852 467 N CB -0.556 37.941 38.487 0.016 0.000 1.003 467 N HN 0.383 nan 8.380 nan 0.000 0.424 468 T N -0.575 114.021 114.554 0.070 0.000 2.788 468 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 468 T C 1.871 176.713 174.700 0.237 0.000 1.044 468 T CA 1.294 63.442 62.100 0.081 0.000 1.139 468 T CB -0.281 68.598 68.868 0.018 0.000 0.867 468 T HN 0.043 nan 8.240 nan 0.000 0.454 469 V N 1.049 121.135 119.914 0.286 0.000 2.407 469 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 469 V C 2.377 178.622 176.094 0.252 0.000 1.041 469 V CA 1.271 63.772 62.300 0.335 0.000 1.040 469 V CB -0.425 31.511 31.823 0.187 0.000 0.671 469 V HN 0.416 nan 8.190 nan 0.000 0.455 470 K N 0.606 121.095 120.400 0.149 0.000 2.107 470 K HA -0.216 4.104 4.320 -0.000 0.000 0.211 470 K C 2.090 178.750 176.600 0.100 0.000 1.049 470 K CA 1.750 58.098 56.287 0.103 0.000 0.927 470 K CB -0.659 31.880 32.500 0.064 0.000 0.714 470 K HN 0.570 nan 8.250 nan 0.000 0.452 471 G N 0.513 109.373 108.800 0.099 0.000 2.484 471 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 471 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 471 G C 0.768 175.660 174.900 -0.013 0.000 1.130 471 G CA 0.628 45.750 45.100 0.036 0.000 0.784 471 G HN 0.394 nan 8.290 nan 0.000 0.543 472 G N -1.074 107.740 108.800 0.023 0.000 2.509 472 G HA2 0.490 4.450 3.960 -0.000 0.000 0.269 472 G HA3 0.490 4.450 3.960 -0.000 0.000 0.269 472 G C -1.034 173.874 174.900 0.014 0.000 1.416 472 G CA -0.356 44.654 45.100 -0.149 0.000 1.052 472 G HN 0.112 nan 8.290 nan 0.000 0.542 473 D N -2.386 118.030 120.400 0.026 0.000 2.570 473 D HA 0.516 5.156 4.640 -0.000 0.000 0.244 473 D C 0.732 177.094 176.300 0.103 0.000 1.178 473 D CA 0.764 54.802 54.000 0.062 0.000 0.881 473 D CB 2.116 42.926 40.800 0.017 0.000 1.453 473 D HN 0.912 nan 8.370 nan 0.000 0.447 474 G N 1.804 110.653 108.800 0.082 0.000 2.559 474 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.282 474 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.282 474 G C 0.346 175.301 174.900 0.092 0.000 1.177 474 G CA 0.393 45.539 45.100 0.077 0.000 0.960 474 G HN 0.552 nan 8.290 nan 0.000 0.540 475 N N 0.042 118.801 118.700 0.099 0.000 2.273 475 N HA 0.354 5.094 4.740 -0.000 0.000 0.231 475 N C -0.132 175.445 175.510 0.111 0.000 1.134 475 N CA -0.146 52.954 53.050 0.084 0.000 0.856 475 N CB 0.361 38.879 38.487 0.052 0.000 1.068 475 N HN 0.506 nan 8.380 nan 0.000 0.510 476 Y N 1.009 121.338 120.300 0.049 0.000 2.496 476 Y HA 0.420 4.970 4.550 -0.000 0.000 0.334 476 Y C 0.818 176.776 175.900 0.097 0.000 1.080 476 Y CA 0.179 58.324 58.100 0.075 0.000 1.355 476 Y CB 0.019 38.528 38.460 0.080 0.000 1.193 476 Y HN 0.067 nan 8.280 nan 0.000 0.523 477 G N 4.109 112.555 108.800 -0.591 0.000 3.003 477 G HA2 0.270 4.230 3.960 -0.000 0.000 0.243 477 G HA3 0.270 4.230 3.960 -0.000 0.000 0.243 477 G C -2.329 172.305 174.900 -0.444 0.000 1.176 477 G CA -0.743 44.115 45.100 -0.404 0.000 0.812 477 G HN 0.515 nan 8.290 nan 0.000 0.584 478 Y N 1.266 121.304 120.300 -0.438 0.000 2.373 478 Y HA 0.566 5.116 4.550 -0.000 0.000 0.336 478 Y C -0.560 175.129 175.900 -0.352 0.000 0.979 478 Y CA -1.309 56.439 58.100 -0.586 0.000 1.080 478 Y CB 1.789 39.847 38.460 -0.669 0.000 1.190 478 Y HN 0.433 nan 8.280 nan 0.000 0.446 479 N N 4.700 122.896 118.700 -0.841 0.000 2.401 479 N HA 0.160 4.900 4.740 -0.000 0.000 0.255 479 N C 0.642 175.652 175.510 -0.833 0.000 1.110 479 N CA 0.816 53.488 53.050 -0.629 0.000 0.949 479 N CB 1.642 39.877 38.487 -0.419 0.000 1.110 479 N HN 0.977 nan 8.380 nan 0.000 0.490 480 A N 4.480 127.014 122.820 -0.476 0.000 1.908 480 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 480 A C 2.097 179.548 177.584 -0.222 0.000 1.181 480 A CA 1.945 53.811 52.037 -0.286 0.000 0.627 480 A CB -0.720 18.224 19.000 -0.093 0.000 0.818 480 A HN 0.749 nan 8.150 nan 0.000 0.445 481 A N -0.455 122.250 122.820 -0.193 0.000 1.845 481 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 481 A C 2.432 179.935 177.584 -0.135 0.000 1.195 481 A CA 2.642 54.602 52.037 -0.128 0.000 0.616 481 A CB -1.310 17.629 19.000 -0.103 0.000 0.832 481 A HN 0.805 nan 8.150 nan 0.000 0.443 482 T N -4.056 110.387 114.554 -0.184 0.000 3.067 482 T HA 0.186 4.536 4.350 -0.000 0.000 0.257 482 T C 0.529 175.130 174.700 -0.165 0.000 1.105 482 T CA 0.937 62.949 62.100 -0.147 0.000 1.104 482 T CB -0.184 68.609 68.868 -0.125 0.000 0.925 482 T HN 0.603 nan 8.240 nan 0.000 0.498 483 E N 0.176 120.179 120.200 -0.328 0.000 3.547 483 E HA -0.123 4.227 4.350 -0.000 0.000 0.309 483 E C -0.745 175.754 176.600 -0.169 0.000 0.855 483 E CA 0.524 56.765 56.400 -0.266 0.000 1.122 483 E CB -0.855 28.884 29.700 0.065 0.000 1.569 483 E HN 0.609 nan 8.360 nan 0.000 0.429 484 E N -0.355 119.640 120.200 -0.343 0.000 2.227 484 E HA 0.400 4.750 4.350 -0.000 0.000 0.268 484 E C -0.310 176.161 176.600 -0.215 0.000 0.990 484 E CA -0.410 55.928 56.400 -0.104 0.000 0.856 484 E CB 0.725 30.395 29.700 -0.050 0.000 1.159 484 E HN 0.029 nan 8.360 nan 0.000 0.401 485 Y N -0.290 120.052 120.300 0.069 0.000 2.432 485 Y HA 0.583 5.133 4.550 -0.000 0.000 0.322 485 Y C 1.152 177.065 175.900 0.022 0.000 1.246 485 Y CA 0.550 58.672 58.100 0.036 0.000 1.268 485 Y CB 1.710 40.291 38.460 0.201 0.000 1.276 485 Y HN 0.697 nan 8.280 nan 0.000 0.499 486 G N 0.710 109.553 108.800 0.071 0.000 2.340 486 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.282 486 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.282 486 G C -1.668 173.258 174.900 0.043 0.000 1.312 486 G CA -1.237 43.971 45.100 0.179 0.000 0.942 486 G HN 0.548 nan 8.290 nan 0.000 0.495 487 N N 0.880 119.642 118.700 0.103 0.000 2.475 487 N HA 0.186 4.926 4.740 -0.000 0.000 0.267 487 N C 1.709 177.215 175.510 -0.008 0.000 1.169 487 N CA -0.374 52.713 53.050 0.061 0.000 0.947 487 N CB 0.835 39.367 38.487 0.076 0.000 1.061 487 N HN 0.398 nan 8.380 nan 0.000 0.466 488 M N 3.371 122.953 119.600 -0.030 0.000 2.254 488 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 488 M C 1.586 177.867 176.300 -0.032 0.000 1.066 488 M CA 0.707 55.975 55.300 -0.054 0.000 1.123 488 M CB -0.447 32.118 32.600 -0.058 0.000 1.388 488 M HN 0.525 nan 8.290 nan 0.000 0.425 489 I N 0.781 121.345 120.570 -0.010 0.000 2.202 489 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 489 I C 1.853 177.967 176.117 -0.005 0.000 1.091 489 I CA 1.375 62.672 61.300 -0.004 0.000 1.368 489 I CB -1.529 36.475 38.000 0.007 0.000 1.058 489 I HN 0.214 nan 8.210 nan 0.000 0.410 490 D N 0.696 121.097 120.400 0.001 0.000 2.097 490 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 490 D C 2.263 178.557 176.300 -0.010 0.000 0.989 490 D CA 1.208 55.209 54.000 0.002 0.000 0.827 490 D CB -0.257 40.550 40.800 0.013 0.000 0.966 490 D HN 0.281 nan 8.370 nan 0.000 0.456 491 M N -0.622 118.965 119.600 -0.021 0.000 2.632 491 M HA 0.039 4.519 4.480 -0.000 0.000 0.256 491 M C 1.400 177.675 176.300 -0.042 0.000 1.080 491 M CA 1.003 56.280 55.300 -0.038 0.000 1.084 491 M CB 0.218 32.780 32.600 -0.063 0.000 1.439 491 M HN 0.252 nan 8.290 nan 0.000 0.509 492 G N 0.998 109.778 108.800 -0.032 0.000 2.268 492 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.240 492 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.240 492 G C 0.294 175.173 174.900 -0.034 0.000 1.010 492 G CA -0.315 44.767 45.100 -0.029 0.000 0.618 492 G HN 0.449 nan 8.290 nan 0.000 0.516 493 I N 2.416 122.956 120.570 -0.049 0.000 2.494 493 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 493 I C 0.459 176.554 176.117 -0.037 0.000 1.106 493 I CA -0.006 61.263 61.300 -0.051 0.000 1.369 493 I CB 0.032 37.987 38.000 -0.076 0.000 1.410 493 I HN 0.358 nan 8.210 nan 0.000 0.523 494 L N 4.385 125.593 121.223 -0.025 0.000 2.540 494 L HA 0.744 5.084 4.340 -0.000 0.000 0.256 494 L C -1.443 175.422 176.870 -0.008 0.000 1.001 494 L CA -0.791 54.041 54.840 -0.014 0.000 0.843 494 L CB 2.007 44.060 42.059 -0.009 0.000 1.436 494 L HN 0.157 nan 8.230 nan 0.000 0.410 495 D N 0.376 120.775 120.400 -0.001 0.000 2.757 495 D HA 0.449 5.089 4.640 -0.000 0.000 0.249 495 D C -2.792 173.514 176.300 0.009 0.000 1.168 495 D CA -1.080 52.922 54.000 0.005 0.000 0.870 495 D CB 2.393 43.197 40.800 0.006 0.000 1.411 495 D HN 0.351 nan 8.370 nan 0.000 0.525 496 P HA -0.042 nan 4.420 nan 0.000 0.266 496 P C 0.927 178.236 177.300 0.016 0.000 1.180 496 P CA 0.190 63.300 63.100 0.017 0.000 0.765 496 P CB 0.537 32.252 31.700 0.024 0.000 0.806 497 T N 1.065 115.627 114.554 0.014 0.000 3.051 497 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 497 T C 1.482 176.190 174.700 0.014 0.000 1.127 497 T CA 1.069 63.176 62.100 0.012 0.000 1.107 497 T CB -0.202 68.672 68.868 0.010 0.000 0.898 497 T HN 0.496 nan 8.240 nan 0.000 0.517 498 K N 1.143 121.554 120.400 0.019 0.000 2.211 498 K HA 0.007 4.327 4.320 -0.000 0.000 0.201 498 K C 2.377 178.997 176.600 0.034 0.000 1.052 498 K CA 0.662 56.963 56.287 0.024 0.000 0.973 498 K CB -0.009 32.510 32.500 0.031 0.000 0.766 498 K HN 0.318 nan 8.250 nan 0.000 0.466 499 V N -0.926 119.009 119.914 0.036 0.000 2.244 499 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 499 V C 1.871 177.987 176.094 0.036 0.000 1.042 499 V CA 2.160 64.485 62.300 0.042 0.000 1.006 499 V CB -1.246 30.598 31.823 0.035 0.000 0.641 499 V HN 0.180 nan 8.190 nan 0.000 0.446 500 T N 0.702 115.271 114.554 0.025 0.000 2.665 500 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 500 T C 2.029 176.739 174.700 0.016 0.000 1.035 500 T CA 2.483 64.595 62.100 0.020 0.000 1.151 500 T CB -0.511 68.366 68.868 0.015 0.000 0.862 500 T HN 0.623 nan 8.240 nan 0.000 0.438 501 R N 0.955 121.460 120.500 0.008 0.000 2.083 501 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 501 R C 2.551 178.837 176.300 -0.024 0.000 1.137 501 R CA 1.866 57.961 56.100 -0.010 0.000 0.951 501 R CB -0.462 29.828 30.300 -0.016 0.000 0.851 501 R HN 0.285 nan 8.270 nan 0.000 0.434 502 S N 0.723 116.422 115.700 -0.002 0.000 2.359 502 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 502 S C 2.081 176.731 174.600 0.083 0.000 1.035 502 S CA 1.272 59.480 58.200 0.013 0.000 1.018 502 S CB -0.378 62.891 63.200 0.114 0.000 0.876 502 S HN 0.595 nan 8.310 nan 0.000 0.448 503 A N 1.318 124.193 122.820 0.091 0.000 1.892 503 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 503 A C 2.176 179.808 177.584 0.080 0.000 1.188 503 A CA 1.725 53.822 52.037 0.100 0.000 0.631 503 A CB -0.805 18.231 19.000 0.060 0.000 0.822 503 A HN 0.416 nan 8.150 nan 0.000 0.447 504 L N -0.462 120.783 121.223 0.037 0.000 2.005 504 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 504 L C 2.584 179.457 176.870 0.005 0.000 1.072 504 L CA 2.317 57.169 54.840 0.019 0.000 0.744 504 L CB -0.703 41.358 42.059 0.003 0.000 0.895 504 L HN 0.506 nan 8.230 nan 0.000 0.433 505 Q N -1.582 118.190 119.800 -0.045 0.000 2.030 505 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 505 Q C 2.185 178.133 176.000 -0.086 0.000 0.986 505 Q CA 2.237 57.971 55.803 -0.115 0.000 0.843 505 Q CB -0.375 28.217 28.738 -0.243 0.000 0.904 505 Q HN 0.514 nan 8.270 nan 0.000 0.420 506 Y N 0.010 120.313 120.300 0.005 0.000 2.293 506 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 506 Y C 2.289 178.191 175.900 0.003 0.000 1.137 506 Y CA 0.759 58.861 58.100 0.004 0.000 1.202 506 Y CB -0.686 37.775 38.460 0.002 0.000 0.990 506 Y HN 0.147 nan 8.280 nan 0.000 0.537 507 A N 0.166 123.073 122.820 0.144 0.000 1.865 507 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 507 A C 2.491 180.112 177.584 0.062 0.000 1.191 507 A CA 2.156 54.243 52.037 0.084 0.000 0.623 507 A CB -1.285 17.749 19.000 0.057 0.000 0.826 507 A HN 0.377 nan 8.150 nan 0.000 0.444 508 A N -1.227 121.620 122.820 0.046 0.000 1.969 508 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 508 A C 2.439 180.044 177.584 0.035 0.000 1.169 508 A CA 2.067 54.122 52.037 0.029 0.000 0.635 508 A CB -0.811 18.197 19.000 0.012 0.000 0.810 508 A HN 0.517 nan 8.150 nan 0.000 0.445 509 S N -1.010 114.721 115.700 0.052 0.000 2.345 509 S HA -0.122 4.348 4.470 -0.000 0.000 0.220 509 S C 1.971 176.610 174.600 0.065 0.000 1.031 509 S CA 1.539 59.776 58.200 0.062 0.000 0.996 509 S CB -0.484 62.779 63.200 0.105 0.000 0.882 509 S HN 0.420 nan 8.310 nan 0.000 0.445 510 V N 1.798 121.759 119.914 0.078 0.000 2.307 510 V HA -0.059 4.061 4.120 -0.000 0.000 0.245 510 V C 2.612 178.729 176.094 0.038 0.000 1.045 510 V CA 2.118 64.451 62.300 0.054 0.000 1.024 510 V CB -1.084 30.769 31.823 0.050 0.000 0.651 510 V HN 0.566 nan 8.190 nan 0.000 0.449 511 A N -0.062 122.781 122.820 0.037 0.000 1.908 511 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 511 A C 2.359 179.959 177.584 0.026 0.000 1.181 511 A CA 2.051 54.105 52.037 0.029 0.000 0.627 511 A CB -1.462 17.554 19.000 0.027 0.000 0.818 511 A HN 0.675 nan 8.150 nan 0.000 0.445 512 G N -0.119 108.698 108.800 0.027 0.000 2.446 512 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 512 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 512 G C 1.563 176.477 174.900 0.023 0.000 1.168 512 G CA 1.139 46.253 45.100 0.023 0.000 0.771 512 G HN 0.448 nan 8.290 nan 0.000 0.551 513 L N -0.340 120.898 121.223 0.026 0.000 2.027 513 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 513 L C 3.106 179.990 176.870 0.023 0.000 1.074 513 L CA 1.016 55.870 54.840 0.024 0.000 0.745 513 L CB -0.343 41.731 42.059 0.025 0.000 0.898 513 L HN 0.201 nan 8.230 nan 0.000 0.433 514 M N -0.515 119.099 119.600 0.023 0.000 2.108 514 M HA -0.262 4.218 4.480 -0.000 0.000 0.261 514 M C 2.336 178.650 176.300 0.023 0.000 1.066 514 M CA 1.958 57.272 55.300 0.023 0.000 1.107 514 M CB -0.393 32.221 32.600 0.023 0.000 1.356 514 M HN 0.198 nan 8.290 nan 0.000 0.406 515 I N -0.177 120.406 120.570 0.022 0.000 2.179 515 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 515 I C 2.360 178.490 176.117 0.022 0.000 1.088 515 I CA 1.837 63.150 61.300 0.021 0.000 1.357 515 I CB -0.521 37.490 38.000 0.018 0.000 1.051 515 I HN 0.418 nan 8.210 nan 0.000 0.409 516 T N -2.571 111.997 114.554 0.022 0.000 3.160 516 T HA 0.016 4.366 4.350 -0.000 0.000 0.257 516 T C 0.829 175.546 174.700 0.028 0.000 1.147 516 T CA 0.102 62.216 62.100 0.024 0.000 1.064 516 T CB -0.936 67.945 68.868 0.022 0.000 0.949 516 T HN 0.132 nan 8.240 nan 0.000 0.526 517 T N 2.614 117.185 114.554 0.028 0.000 2.919 517 T HA 0.222 4.572 4.350 -0.000 0.000 0.302 517 T C 0.657 175.381 174.700 0.040 0.000 1.031 517 T CA -0.432 61.686 62.100 0.031 0.000 1.127 517 T CB 1.230 70.114 68.868 0.027 0.000 0.952 517 T HN 0.149 nan 8.240 nan 0.000 0.540 518 E N -0.140 120.091 120.200 0.051 0.000 2.606 518 E HA 0.194 4.544 4.350 -0.000 0.000 0.224 518 E C -0.037 176.616 176.600 0.089 0.000 0.930 518 E CA -0.014 56.433 56.400 0.079 0.000 1.125 518 E CB 0.878 30.636 29.700 0.097 0.000 1.123 518 E HN 0.579 nan 8.360 nan 0.000 0.522 519 C N 0.460 119.775 119.300 0.025 0.000 3.090 519 C HA 0.731 5.191 4.460 -0.000 0.000 0.305 519 C C -1.385 173.557 174.990 -0.079 0.000 1.292 519 C CA -0.477 58.482 59.018 -0.098 0.000 1.482 519 C CB 0.940 28.607 27.740 -0.120 0.000 1.897 519 C HN 0.151 nan 8.230 nan 0.000 0.469 520 M N 4.364 123.898 119.600 -0.110 0.000 2.271 520 M HA 0.486 4.966 4.480 -0.000 0.000 0.285 520 M C -1.291 175.028 176.300 0.032 0.000 1.059 520 M CA -0.400 54.927 55.300 0.045 0.000 0.940 520 M CB 2.002 34.768 32.600 0.277 0.000 1.636 520 M HN 0.390 nan 8.290 nan 0.000 0.460 521 V N 1.343 121.204 119.914 -0.088 0.000 2.628 521 V HA 0.885 5.005 4.120 -0.000 0.000 0.306 521 V C -0.239 175.710 176.094 -0.241 0.000 1.045 521 V CA -0.453 61.769 62.300 -0.130 0.000 0.905 521 V CB 2.076 33.845 31.823 -0.089 0.000 0.997 521 V HN 0.922 nan 8.190 nan 0.000 0.436 522 T N 1.442 115.832 114.554 -0.273 0.000 2.893 522 T HA 0.243 4.593 4.350 -0.000 0.000 0.337 522 T C -1.481 173.102 174.700 -0.194 0.000 1.587 522 T CA -0.622 61.296 62.100 -0.304 0.000 1.066 522 T CB 1.705 70.240 68.868 -0.555 0.000 1.414 522 T HN 0.723 nan 8.240 nan 0.000 0.488 523 D N 1.735 122.049 120.400 -0.143 0.000 2.378 523 D HA 0.219 4.859 4.640 -0.000 0.000 0.238 523 D C 0.254 176.511 176.300 -0.073 0.000 1.180 523 D CA -0.020 53.929 54.000 -0.086 0.000 0.895 523 D CB 0.578 41.339 40.800 -0.066 0.000 1.192 523 D HN 0.245 nan 8.370 nan 0.000 0.438 524 L N 2.464 123.667 121.223 -0.033 0.000 2.436 524 L HA 0.231 4.571 4.340 -0.000 0.000 0.265 524 L C -1.338 175.525 176.870 -0.012 0.000 1.168 524 L CA -0.871 53.964 54.840 -0.009 0.000 0.815 524 L CB -0.404 41.658 42.059 0.005 0.000 1.109 524 L HN 0.324 nan 8.230 nan 0.000 0.462 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.100 63.100 0.001 0.000 0.800 525 P CB 0.000 31.708 31.700 0.014 0.000 0.726