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 2zku_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPX DATA SEQUENCE XGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.580 174.600 -0.033 0.000 1.055 1 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 1 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 2 M N 3.846 123.415 119.600 -0.051 0.000 2.211 2 M HA 0.269 4.762 4.480 0.020 0.000 0.356 2 M C 1.871 178.064 176.300 -0.178 0.000 1.216 2 M CA -0.135 55.120 55.300 -0.075 0.000 1.134 2 M CB 0.757 33.328 32.600 -0.048 0.000 1.564 2 M HN 0.834 nan 8.290 nan 0.000 0.463 3 S N 2.622 118.151 115.700 -0.284 0.000 2.382 3 S HA -0.086 4.396 4.470 0.020 0.000 0.228 3 S C 0.081 174.253 174.600 -0.713 0.000 1.027 3 S CA 0.985 58.882 58.200 -0.505 0.000 0.991 3 S CB -0.175 62.643 63.200 -0.637 0.000 0.823 3 S HN 0.646 nan 8.310 nan 0.000 0.469 4 Y N 0.666 120.792 120.300 -0.290 0.000 2.571 4 Y HA 0.547 5.109 4.550 0.020 0.000 0.341 4 Y C -0.258 175.315 175.900 -0.544 0.000 1.076 4 Y CA -0.912 56.882 58.100 -0.511 0.000 1.029 4 Y CB 2.022 40.037 38.460 -0.742 0.000 1.308 4 Y HN 0.140 nan 8.280 nan 0.000 0.461 5 T N -2.084 112.183 114.554 -0.479 0.000 2.861 5 T HA 0.693 5.056 4.350 0.020 0.000 0.287 5 T C -1.325 173.104 174.700 -0.453 0.000 1.003 5 T CA -0.817 61.097 62.100 -0.310 0.000 0.977 5 T CB 1.061 69.864 68.868 -0.108 0.000 0.996 5 T HN 0.521 nan 8.240 nan 0.000 0.448 6 W N 0.998 122.350 121.300 0.085 0.000 2.706 6 W HA 0.520 5.192 4.660 0.020 0.000 0.346 6 W C 1.483 178.030 176.519 0.046 0.000 1.071 6 W CA -0.693 56.688 57.345 0.060 0.000 1.206 6 W CB 1.930 31.409 29.460 0.031 0.000 1.413 6 W HN 0.881 nan 8.180 nan 0.000 0.542 7 T N -2.664 112.067 114.554 0.295 0.000 3.044 7 T HA 0.343 4.705 4.350 0.020 0.000 0.255 7 T C 1.379 176.162 174.700 0.139 0.000 1.073 7 T CA 0.964 63.166 62.100 0.170 0.000 1.125 7 T CB 0.028 68.975 68.868 0.132 0.000 0.908 7 T HN 1.190 nan 8.240 nan 0.000 0.480 8 G N 1.220 110.110 108.800 0.150 0.000 2.316 8 G HA2 0.088 4.060 3.960 0.020 0.000 0.203 8 G HA3 0.088 4.060 3.960 0.020 0.000 0.203 8 G C 0.409 175.335 174.900 0.043 0.000 0.999 8 G CA -0.135 45.009 45.100 0.075 0.000 0.649 8 G HN 1.049 nan 8.290 nan 0.000 0.489 9 A N 0.895 123.754 122.820 0.065 0.000 2.507 9 A HA 0.611 4.943 4.320 0.020 0.000 0.235 9 A C 0.705 178.296 177.584 0.012 0.000 1.070 9 A CA 0.398 52.460 52.037 0.041 0.000 0.768 9 A CB 0.118 19.152 19.000 0.057 0.000 1.011 9 A HN 0.923 nan 8.150 nan 0.000 0.502 10 L N 1.524 122.742 121.223 -0.009 0.000 2.379 10 L HA 0.357 4.710 4.340 0.020 0.000 0.269 10 L C -0.032 176.820 176.870 -0.031 0.000 1.084 10 L CA -0.435 54.381 54.840 -0.041 0.000 0.802 10 L CB 0.937 42.975 42.059 -0.036 0.000 1.175 10 L HN 0.547 nan 8.230 nan 0.000 0.448 11 I N 1.943 122.475 120.570 -0.062 0.000 2.363 11 I HA 0.073 4.255 4.170 0.020 0.000 0.292 11 I C 0.579 176.684 176.117 -0.020 0.000 1.075 11 I CA -0.009 61.270 61.300 -0.036 0.000 1.333 11 I CB 0.685 38.646 38.000 -0.066 0.000 1.415 11 I HN 0.674 nan 8.210 nan 0.000 0.502 12 T N 5.128 119.681 114.554 -0.002 0.000 2.929 12 T HA 0.550 4.912 4.350 0.020 0.000 0.284 12 T C -2.333 172.377 174.700 0.016 0.000 1.014 12 T CA -1.937 60.165 62.100 0.004 0.000 1.051 12 T CB 1.705 70.576 68.868 0.004 0.000 1.028 12 T HN 0.300 nan 8.240 nan 0.000 0.485 13 P HA 0.248 nan 4.420 nan 0.000 0.276 13 P C 0.215 177.531 177.300 0.027 0.000 1.252 13 P CA -0.675 62.442 63.100 0.028 0.000 0.802 13 P CB 1.133 32.849 31.700 0.027 0.000 1.035 14 C N 0.595 119.915 119.300 0.033 0.000 2.780 14 C HA 0.624 5.096 4.460 0.020 0.000 0.267 14 C C 0.780 175.782 174.990 0.020 0.000 1.266 14 C CA 0.827 59.861 59.018 0.027 0.000 1.709 14 C CB -1.388 26.374 27.740 0.037 0.000 1.975 14 C HN 0.757 nan 8.230 nan 0.000 0.582 15 A N -0.373 122.462 122.820 0.025 0.000 2.457 15 A HA 0.667 5.000 4.320 0.020 0.000 0.305 15 A C -0.795 176.808 177.584 0.033 0.000 1.110 15 A CA 0.144 52.196 52.037 0.024 0.000 0.616 15 A CB -0.468 18.546 19.000 0.022 0.000 1.371 15 A HN 1.062 nan 8.150 nan 0.000 0.525 16 A N 0.130 122.971 122.820 0.035 0.000 2.520 16 A HA 0.500 4.832 4.320 0.020 0.000 0.245 16 A C -0.057 177.565 177.584 0.063 0.000 1.072 16 A CA 0.501 52.565 52.037 0.045 0.000 0.761 16 A CB -0.453 18.572 19.000 0.042 0.000 1.004 16 A HN 0.532 nan 8.150 nan 0.000 0.499 17 E N 2.190 122.433 120.200 0.070 0.000 2.113 17 E HA 0.243 4.605 4.350 0.020 0.000 0.273 17 E C -0.796 175.881 176.600 0.127 0.000 0.924 17 E CA -0.627 55.829 56.400 0.093 0.000 0.764 17 E CB 1.181 30.926 29.700 0.075 0.000 1.104 17 E HN 0.608 nan 8.360 nan 0.000 0.406 18 E N 1.555 121.869 120.200 0.189 0.000 2.259 18 E HA 0.060 4.423 4.350 0.020 0.000 0.281 18 E C 0.417 177.231 176.600 0.357 0.000 1.037 18 E CA -0.014 56.541 56.400 0.258 0.000 0.854 18 E CB 1.537 31.420 29.700 0.305 0.000 1.051 18 E HN 0.565 nan 8.360 nan 0.000 0.409 19 S N 2.031 117.914 115.700 0.305 0.000 2.506 19 S HA 0.155 4.638 4.470 0.020 0.000 0.219 19 S C 0.499 175.353 174.600 0.424 0.000 1.031 19 S CA -0.053 58.332 58.200 0.309 0.000 0.911 19 S CB 0.534 63.852 63.200 0.197 0.000 0.812 19 S HN 0.150 nan 8.310 nan 0.000 0.497 20 K N 0.621 121.245 120.400 0.374 0.000 2.295 20 K HA 0.636 4.968 4.320 0.020 0.000 0.239 20 K C -1.362 175.319 176.600 0.136 0.000 0.991 20 K CA -0.838 55.632 56.287 0.305 0.000 0.845 20 K CB 1.444 34.016 32.500 0.119 0.000 1.197 20 K HN 0.104 nan 8.250 nan 0.000 0.441 21 L N 3.881 125.154 121.223 0.082 0.000 2.290 21 L HA 0.379 4.731 4.340 0.020 0.000 0.284 21 L C -2.249 174.537 176.870 -0.139 0.000 1.078 21 L CA -1.465 53.266 54.840 -0.183 0.000 0.815 21 L CB 0.276 42.372 42.059 0.062 0.000 1.162 21 L HN 0.518 nan 8.230 nan 0.000 0.435 22 P HA 0.186 nan 4.420 nan 0.000 0.274 22 P C -0.610 176.682 177.300 -0.014 0.000 1.231 22 P CA -0.256 62.779 63.100 -0.108 0.000 0.790 22 P CB 0.865 32.476 31.700 -0.150 0.000 0.951 23 I N 3.320 123.914 120.570 0.040 0.000 2.396 23 I HA 0.180 4.362 4.170 0.020 0.000 0.289 23 I C 0.787 176.919 176.117 0.024 0.000 1.056 23 I CA 0.013 61.367 61.300 0.090 0.000 1.365 23 I CB 0.045 38.119 38.000 0.123 0.000 1.407 23 I HN 0.487 nan 8.210 nan 0.000 0.509 24 N N 5.351 124.057 118.700 0.011 0.000 2.823 24 N HA 0.345 5.097 4.740 0.020 0.000 0.251 24 N C -0.112 175.392 175.510 -0.011 0.000 1.392 24 N CA -0.584 52.461 53.050 -0.008 0.000 0.864 24 N CB 1.488 39.961 38.487 -0.025 0.000 1.481 24 N HN 0.413 nan 8.380 nan 0.000 0.508 25 A N 1.156 123.967 122.820 -0.014 0.000 1.835 25 A HA -0.023 4.310 4.320 0.020 0.000 0.215 25 A C 2.125 179.705 177.584 -0.006 0.000 1.199 25 A CA 1.445 53.472 52.037 -0.016 0.000 0.615 25 A CB -1.068 17.920 19.000 -0.020 0.000 0.838 25 A HN 0.612 nan 8.150 nan 0.000 0.444 26 L N -0.536 120.684 121.223 -0.004 0.000 2.010 26 L HA -0.265 4.087 4.340 0.020 0.000 0.219 26 L C 2.949 179.871 176.870 0.087 0.000 1.077 26 L CA 1.980 56.833 54.840 0.022 0.000 0.773 26 L CB -0.601 41.447 42.059 -0.019 0.000 0.892 26 L HN 0.524 nan 8.230 nan 0.000 0.436 27 S N -0.434 115.293 115.700 0.045 0.000 2.402 27 S HA -0.179 4.303 4.470 0.020 0.000 0.229 27 S C 1.858 176.464 174.600 0.010 0.000 1.021 27 S CA 1.338 59.560 58.200 0.037 0.000 0.974 27 S CB -0.311 62.900 63.200 0.018 0.000 0.800 27 S HN 0.425 nan 8.310 nan 0.000 0.484 28 N N 0.981 119.680 118.700 -0.002 0.000 2.331 28 N HA -0.065 4.688 4.740 0.020 0.000 0.180 28 N C 1.710 177.204 175.510 -0.027 0.000 1.019 28 N CA 1.448 54.479 53.050 -0.030 0.000 0.881 28 N CB -0.252 38.205 38.487 -0.050 0.000 0.972 28 N HN 0.605 nan 8.380 nan 0.000 0.435 29 S N -0.248 115.450 115.700 -0.003 0.000 2.481 29 S HA -0.067 4.415 4.470 0.020 0.000 0.231 29 S C 1.834 176.444 174.600 0.017 0.000 0.996 29 S CA 0.264 58.455 58.200 -0.015 0.000 0.942 29 S CB -0.043 63.158 63.200 0.002 0.000 0.768 29 S HN 0.266 nan 8.310 nan 0.000 0.520 30 L N 0.188 121.428 121.223 0.028 0.000 2.269 30 L HA 0.580 4.933 4.340 0.020 0.000 0.200 30 L C 0.219 177.115 176.870 0.045 0.000 1.069 30 L CA 0.914 55.772 54.840 0.029 0.000 0.804 30 L CB 0.061 41.905 42.059 -0.358 0.000 0.987 30 L HN 0.510 nan 8.230 nan 0.000 0.468 31 L N -0.823 120.393 121.223 -0.011 0.000 2.464 31 L HA 0.402 4.755 4.340 0.020 0.000 0.266 31 L C 0.478 177.320 176.870 -0.047 0.000 0.965 31 L CA -0.507 54.317 54.840 -0.027 0.000 0.833 31 L CB 1.597 43.654 42.059 -0.002 0.000 1.296 31 L HN 0.040 nan 8.230 nan 0.000 0.405 32 R N 1.563 122.005 120.500 -0.097 0.000 2.090 32 R HA 0.111 4.463 4.340 0.020 0.000 0.219 32 R C 0.094 176.410 176.300 0.027 0.000 1.100 32 R CA 0.450 56.508 56.100 -0.070 0.000 0.991 32 R CB -0.040 30.242 30.300 -0.029 0.000 0.893 32 R HN 0.665 nan 8.270 nan 0.000 0.443 33 H N 1.856 120.927 119.070 0.002 0.000 3.195 33 H HA 0.024 4.592 4.556 0.020 0.000 0.241 33 H C 0.988 176.435 175.328 0.198 0.000 1.823 33 H CA -0.290 55.810 56.048 0.086 0.000 1.466 33 H CB -0.282 29.531 29.762 0.086 0.000 1.819 33 H HN 0.523 nan 8.280 nan 0.000 0.575 34 H N 0.027 119.198 119.070 0.169 0.000 2.456 34 H HA -0.090 4.478 4.556 0.019 0.000 0.296 34 H C 1.139 176.557 175.328 0.149 0.000 1.079 34 H CA 0.281 56.410 56.048 0.135 0.000 1.322 34 H CB 0.230 30.045 29.762 0.089 0.000 1.388 34 H HN 0.392 nan 8.280 nan 0.000 0.538 35 N N 1.003 119.881 118.700 0.296 0.000 2.381 35 N HA -0.069 4.683 4.740 0.020 0.000 0.182 35 N C 1.571 177.181 175.510 0.167 0.000 1.025 35 N CA 0.986 54.103 53.050 0.113 0.000 0.888 35 N CB -0.043 38.488 38.487 0.074 0.000 0.965 35 N HN 0.555 nan 8.380 nan 0.000 0.438 36 M N 0.191 119.925 119.600 0.223 0.000 2.558 36 M HA 0.051 4.543 4.480 0.020 0.000 0.255 36 M C 0.058 176.539 176.300 0.301 0.000 1.113 36 M CA 0.356 55.792 55.300 0.226 0.000 1.097 36 M CB 0.500 33.231 32.600 0.219 0.000 1.426 36 M HN -0.248 nan 8.290 nan 0.000 0.488 37 V N 1.361 121.460 119.914 0.308 0.000 2.394 37 V HA 0.302 4.435 4.120 0.020 0.000 0.282 37 V C -0.747 175.602 176.094 0.424 0.000 1.031 37 V CA -0.669 61.828 62.300 0.328 0.000 0.881 37 V CB 0.541 32.549 31.823 0.309 0.000 0.982 37 V HN 0.310 nan 8.190 nan 0.000 0.451 38 Y N 2.733 123.142 120.300 0.181 0.000 2.597 38 Y HA 0.917 5.479 4.550 0.021 0.000 0.340 38 Y C -0.501 175.372 175.900 -0.044 0.000 1.097 38 Y CA -1.561 56.628 58.100 0.148 0.000 1.037 38 Y CB 1.567 40.103 38.460 0.126 0.000 1.305 38 Y HN 0.685 nan 8.280 nan 0.000 0.463 39 A N 1.483 124.231 122.820 -0.120 0.000 2.365 39 A HA 0.693 5.025 4.320 0.020 0.000 0.318 39 A C -0.194 177.390 177.584 0.000 0.000 1.091 39 A CA -0.417 51.384 52.037 -0.394 0.000 0.763 39 A CB 0.593 19.143 19.000 -0.749 0.000 1.248 39 A HN 1.114 nan 8.150 nan 0.000 0.442 40 T N 0.071 114.634 114.554 0.015 0.000 2.918 40 T HA 0.563 4.925 4.350 0.020 0.000 0.302 40 T C 0.415 175.161 174.700 0.076 0.000 1.045 40 T CA 0.380 62.569 62.100 0.147 0.000 1.114 40 T CB 0.800 69.777 68.868 0.182 0.000 0.965 40 T HN 1.425 nan 8.240 nan 0.000 0.540 41 T N -1.915 112.692 114.554 0.088 0.000 2.864 41 T HA 0.480 4.842 4.350 0.020 0.000 0.289 41 T C 1.371 176.098 174.700 0.046 0.000 1.082 41 T CA -0.243 61.895 62.100 0.062 0.000 1.009 41 T CB 1.316 70.226 68.868 0.069 0.000 1.234 41 T HN 0.776 nan 8.240 nan 0.000 0.526 42 S N -0.063 115.657 115.700 0.033 0.000 2.500 42 S HA -0.093 4.390 4.470 0.020 0.000 0.239 42 S C 1.716 176.317 174.600 0.001 0.000 0.989 42 S CA 0.260 58.468 58.200 0.014 0.000 0.951 42 S CB -0.683 62.525 63.200 0.012 0.000 0.759 42 S HN 0.715 nan 8.310 nan 0.000 0.523 43 R N 1.461 121.969 120.500 0.013 0.000 2.193 43 R HA -0.018 4.334 4.340 0.020 0.000 0.229 43 R C 1.865 178.161 176.300 -0.008 0.000 1.110 43 R CA 1.420 57.522 56.100 0.004 0.000 0.988 43 R CB -0.370 29.940 30.300 0.017 0.000 0.871 43 R HN 0.712 nan 8.270 nan 0.000 0.458 44 S N -1.104 114.596 115.700 -0.000 0.000 2.575 44 S HA 0.280 4.762 4.470 0.020 0.000 0.237 44 S C 1.544 176.123 174.600 -0.035 0.000 0.975 44 S CA 0.060 58.253 58.200 -0.011 0.000 0.960 44 S CB 1.053 64.261 63.200 0.013 0.000 0.822 44 S HN 0.240 nan 8.310 nan 0.000 0.472 45 A N 2.091 124.880 122.820 -0.052 0.000 1.940 45 A HA 0.163 4.495 4.320 0.020 0.000 0.219 45 A C 2.248 179.735 177.584 -0.161 0.000 1.176 45 A CA 1.601 53.582 52.037 -0.094 0.000 0.631 45 A CB -1.637 17.303 19.000 -0.101 0.000 0.814 45 A HN 0.683 nan 8.150 nan 0.000 0.446 46 G N -0.175 108.530 108.800 -0.158 0.000 2.442 46 G HA2 -0.182 3.790 3.960 0.020 0.000 0.219 46 G HA3 -0.182 3.790 3.960 0.020 0.000 0.219 46 G C 1.535 176.342 174.900 -0.155 0.000 1.141 46 G CA 1.063 46.045 45.100 -0.197 0.000 0.763 46 G HN 0.454 nan 8.290 nan 0.000 0.554 47 L N -0.324 120.842 121.223 -0.095 0.000 2.046 47 L HA -0.032 4.320 4.340 0.020 0.000 0.208 47 L C 2.906 179.747 176.870 -0.049 0.000 1.077 47 L CA 1.279 56.084 54.840 -0.058 0.000 0.747 47 L CB -0.319 41.719 42.059 -0.035 0.000 0.896 47 L HN 0.155 nan 8.230 nan 0.000 0.432 48 R N 0.491 120.956 120.500 -0.058 0.000 2.075 48 R HA -0.148 4.204 4.340 0.020 0.000 0.232 48 R C 2.242 178.510 176.300 -0.054 0.000 1.126 48 R CA 1.517 57.597 56.100 -0.032 0.000 0.963 48 R CB -0.417 29.867 30.300 -0.026 0.000 0.858 48 R HN 0.374 nan 8.270 nan 0.000 0.435 49 Q N 0.142 119.833 119.800 -0.182 0.000 2.112 49 Q HA -0.206 4.146 4.340 0.020 0.000 0.206 49 Q C 2.003 177.970 176.000 -0.055 0.000 0.987 49 Q CA 2.081 57.712 55.803 -0.288 0.000 0.858 49 Q CB -0.173 28.076 28.738 -0.815 0.000 0.905 49 Q HN 0.349 nan 8.270 nan 0.000 0.420 50 K N 0.778 121.148 120.400 -0.050 0.000 2.057 50 K HA -0.122 4.210 4.320 0.020 0.000 0.206 50 K C 2.033 178.716 176.600 0.140 0.000 1.050 50 K CA 1.092 57.411 56.287 0.054 0.000 0.935 50 K CB 0.022 32.533 32.500 0.018 0.000 0.715 50 K HN 0.116 nan 8.250 nan 0.000 0.439 51 K N 0.618 121.091 120.400 0.120 0.000 2.026 51 K HA -0.108 4.224 4.320 0.020 0.000 0.208 51 K C 2.029 178.818 176.600 0.315 0.000 1.048 51 K CA 1.645 58.041 56.287 0.181 0.000 0.929 51 K CB -0.194 32.383 32.500 0.127 0.000 0.713 51 K HN 0.120 nan 8.250 nan 0.000 0.439 52 V N -0.822 119.246 119.914 0.258 0.000 3.510 52 V HA 0.010 4.142 4.120 0.020 0.000 0.270 52 V C 0.392 176.602 176.094 0.193 0.000 1.201 52 V CA 0.483 62.951 62.300 0.281 0.000 1.166 52 V CB -0.437 31.527 31.823 0.236 0.000 0.825 52 V HN 0.008 nan 8.190 nan 0.000 0.484 53 T N 4.292 119.013 114.554 0.278 0.000 2.753 53 T HA 0.709 5.071 4.350 0.020 0.000 0.297 53 T C -0.748 174.094 174.700 0.237 0.000 0.981 53 T CA -0.033 62.215 62.100 0.245 0.000 0.956 53 T CB 0.354 69.493 68.868 0.451 0.000 0.936 53 T HN 0.651 nan 8.240 nan 0.000 0.463 54 F N 0.017 120.068 119.950 0.168 0.000 2.807 54 F HA 0.649 5.188 4.527 0.020 0.000 0.316 54 F C -1.200 174.635 175.800 0.059 0.000 1.162 54 F CA -1.806 56.255 58.000 0.101 0.000 0.910 54 F CB 0.641 39.693 39.000 0.086 0.000 1.314 54 F HN 0.297 nan 8.300 nan 0.000 0.454 55 D N 0.400 121.011 120.400 0.352 0.000 2.264 55 D HA 0.550 5.202 4.640 0.020 0.000 0.249 55 D C -0.977 175.489 176.300 0.277 0.000 1.070 55 D CA -0.077 54.046 54.000 0.205 0.000 0.912 55 D CB 0.940 41.815 40.800 0.125 0.000 1.193 55 D HN 0.596 nan 8.370 nan 0.000 0.427 56 R N 2.129 122.723 120.500 0.156 0.000 2.393 56 R HA 0.514 4.866 4.340 0.020 0.000 0.315 56 R C -1.105 175.232 176.300 0.062 0.000 0.952 56 R CA -0.859 55.325 56.100 0.140 0.000 0.842 56 R CB 1.257 31.618 30.300 0.101 0.000 1.163 56 R HN 0.402 nan 8.270 nan 0.000 0.450 57 L N 1.886 123.136 121.223 0.046 0.000 2.317 57 L HA 0.519 4.872 4.340 0.020 0.000 0.281 57 L C -0.970 175.901 176.870 0.001 0.000 1.024 57 L CA 0.019 54.867 54.840 0.013 0.000 0.810 57 L CB 1.491 43.552 42.059 0.002 0.000 1.240 57 L HN 0.676 nan 8.230 nan 0.000 0.427 58 Q N 3.762 123.554 119.800 -0.014 0.000 2.263 58 Q HA 0.635 4.987 4.340 0.020 0.000 0.266 58 Q C -2.166 173.811 176.000 -0.039 0.000 1.002 58 Q CA -0.641 55.148 55.803 -0.023 0.000 0.790 58 Q CB 2.110 30.828 28.738 -0.032 0.000 1.272 58 Q HN 0.573 nan 8.270 nan 0.000 0.435 59 V N 5.565 125.461 119.914 -0.031 0.000 2.443 59 V HA 0.452 4.584 4.120 0.020 0.000 0.293 59 V C -0.172 175.924 176.094 0.003 0.000 1.021 59 V CA -0.610 61.669 62.300 -0.035 0.000 0.848 59 V CB 1.350 33.148 31.823 -0.041 0.000 0.998 59 V HN 0.759 nan 8.190 nan 0.000 0.424 60 L N 4.171 125.357 121.223 -0.061 0.000 2.400 60 L HA 0.803 5.155 4.340 0.020 0.000 0.264 60 L C -0.143 176.753 176.870 0.044 0.000 1.061 60 L CA -0.486 54.302 54.840 -0.087 0.000 0.799 60 L CB 1.559 43.394 42.059 -0.373 0.000 1.240 60 L HN 0.848 nan 8.230 nan 0.000 0.461 61 D N -2.926 117.551 120.400 0.128 0.000 2.825 61 D HA 0.166 4.818 4.640 0.020 0.000 0.327 61 D C -0.130 176.220 176.300 0.083 0.000 1.277 61 D CA -0.582 53.476 54.000 0.097 0.000 0.950 61 D CB 0.477 41.346 40.800 0.115 0.000 1.438 61 D HN 0.259 nan 8.370 nan 0.000 0.526 62 D N -1.270 119.112 120.400 -0.030 0.000 2.144 62 D HA -0.142 4.510 4.640 0.020 0.000 0.199 62 D C 1.581 177.859 176.300 -0.036 0.000 0.984 62 D CA 1.237 55.194 54.000 -0.071 0.000 0.834 62 D CB -0.184 40.517 40.800 -0.164 0.000 0.955 62 D HN 0.388 nan 8.370 nan 0.000 0.465 63 H N -0.467 118.662 119.070 0.098 0.000 2.321 63 H HA -0.143 4.426 4.556 0.020 0.000 0.300 63 H C 2.049 177.398 175.328 0.036 0.000 1.087 63 H CA 0.975 57.067 56.048 0.073 0.000 1.319 63 H CB -0.776 29.053 29.762 0.112 0.000 1.379 63 H HN 0.308 nan 8.280 nan 0.000 0.501 64 Y N 2.069 122.390 120.300 0.036 0.000 2.097 64 Y HA -0.235 4.327 4.550 0.020 0.000 0.282 64 Y C 2.743 178.587 175.900 -0.094 0.000 1.152 64 Y CA 1.614 59.612 58.100 -0.170 0.000 1.136 64 Y CB -0.071 38.197 38.460 -0.321 0.000 0.975 64 Y HN -0.043 nan 8.280 nan 0.000 0.498 65 R N 0.126 120.727 120.500 0.168 0.000 2.091 65 R HA -0.181 4.171 4.340 0.020 0.000 0.238 65 R C 1.793 178.082 176.300 -0.018 0.000 1.136 65 R CA 1.653 57.800 56.100 0.079 0.000 0.959 65 R CB -0.436 29.916 30.300 0.087 0.000 0.856 65 R HN 0.445 nan 8.270 nan 0.000 0.437 66 D N 0.104 120.502 120.400 -0.003 0.000 2.097 66 D HA -0.115 4.537 4.640 0.020 0.000 0.195 66 D C 2.017 178.293 176.300 -0.040 0.000 0.989 66 D CA 1.047 55.044 54.000 -0.006 0.000 0.827 66 D CB -0.257 40.563 40.800 0.033 0.000 0.966 66 D HN 0.007 nan 8.370 nan 0.000 0.456 67 V N 1.221 121.086 119.914 -0.081 0.000 2.343 67 V HA -0.206 3.926 4.120 0.020 0.000 0.247 67 V C 2.467 178.479 176.094 -0.137 0.000 1.051 67 V CA 1.003 63.234 62.300 -0.114 0.000 1.036 67 V CB -0.451 31.259 31.823 -0.188 0.000 0.654 67 V HN 0.131 nan 8.190 nan 0.000 0.451 68 L N 0.636 121.716 121.223 -0.238 0.000 2.042 68 L HA -0.186 4.166 4.340 0.020 0.000 0.210 68 L C 2.414 179.223 176.870 -0.101 0.000 1.076 68 L CA 2.254 56.965 54.840 -0.216 0.000 0.749 68 L CB -0.860 41.026 42.059 -0.290 0.000 0.893 68 L HN 0.305 nan 8.230 nan 0.000 0.432 69 K N -0.521 119.836 120.400 -0.070 0.000 2.057 69 K HA -0.214 4.118 4.320 0.020 0.000 0.207 69 K C 1.938 178.523 176.600 -0.026 0.000 1.049 69 K CA 1.851 58.116 56.287 -0.036 0.000 0.931 69 K CB -0.118 32.369 32.500 -0.021 0.000 0.714 69 K HN 0.505 nan 8.250 nan 0.000 0.440 70 E N 0.180 120.368 120.200 -0.021 0.000 2.072 70 E HA -0.168 4.194 4.350 0.020 0.000 0.191 70 E C 2.085 178.686 176.600 0.000 0.000 0.985 70 E CA 1.513 57.912 56.400 -0.002 0.000 0.801 70 E CB -0.044 29.664 29.700 0.013 0.000 0.750 70 E HN 0.350 nan 8.360 nan 0.000 0.452 71 M N 0.532 120.130 119.600 -0.003 0.000 2.117 71 M HA -0.175 4.317 4.480 0.020 0.000 0.262 71 M C 2.083 178.363 176.300 -0.033 0.000 1.065 71 M CA 1.475 56.769 55.300 -0.010 0.000 1.114 71 M CB -0.122 32.473 32.600 -0.009 0.000 1.361 71 M HN -0.062 nan 8.290 nan 0.000 0.408 72 K N 0.239 120.617 120.400 -0.036 0.000 2.148 72 K HA -0.062 4.271 4.320 0.020 0.000 0.204 72 K C 2.095 178.682 176.600 -0.022 0.000 1.050 72 K CA 1.289 57.557 56.287 -0.032 0.000 0.942 72 K CB -0.242 32.240 32.500 -0.031 0.000 0.724 72 K HN 0.296 nan 8.250 nan 0.000 0.446 73 A N 1.979 124.789 122.820 -0.017 0.000 1.902 73 A HA -0.193 4.139 4.320 0.020 0.000 0.217 73 A C 1.871 179.446 177.584 -0.014 0.000 1.181 73 A CA 1.484 53.514 52.037 -0.012 0.000 0.623 73 A CB -0.218 18.778 19.000 -0.007 0.000 0.818 73 A HN 0.185 nan 8.150 nan 0.000 0.443 74 K N -0.406 119.982 120.400 -0.020 0.000 2.062 74 K HA 0.049 4.381 4.320 0.020 0.000 0.205 74 K C 2.300 178.879 176.600 -0.035 0.000 1.051 74 K CA 0.932 57.202 56.287 -0.029 0.000 0.941 74 K CB -0.300 32.176 32.500 -0.040 0.000 0.719 74 K HN 0.408 nan 8.250 nan 0.000 0.440 75 A N 1.280 124.078 122.820 -0.036 0.000 1.978 75 A HA -0.154 4.178 4.320 0.020 0.000 0.220 75 A C 2.115 179.690 177.584 -0.013 0.000 1.170 75 A CA 1.725 53.745 52.037 -0.028 0.000 0.636 75 A CB -0.521 18.465 19.000 -0.023 0.000 0.810 75 A HN 0.164 nan 8.150 nan 0.000 0.448 76 S N -0.402 115.292 115.700 -0.011 0.000 2.469 76 S HA -0.102 4.380 4.470 0.020 0.000 0.238 76 S C 1.830 176.427 174.600 -0.005 0.000 0.998 76 S CA 1.606 59.804 58.200 -0.004 0.000 0.957 76 S CB -0.469 62.728 63.200 -0.004 0.000 0.764 76 S HN 0.905 nan 8.310 nan 0.000 0.514 77 T N -1.014 113.533 114.554 -0.011 0.000 3.107 77 T HA 0.272 4.634 4.350 0.020 0.000 0.249 77 T C 0.312 175.004 174.700 -0.014 0.000 1.096 77 T CA -0.227 61.866 62.100 -0.011 0.000 1.012 77 T CB -0.177 68.682 68.868 -0.015 0.000 0.977 77 T HN -0.004 nan 8.240 nan 0.000 0.527 78 V N 1.660 121.566 119.914 -0.014 0.000 2.481 78 V HA 0.486 4.618 4.120 0.020 0.000 0.286 78 V C -0.042 176.050 176.094 -0.004 0.000 1.042 78 V CA -1.022 61.268 62.300 -0.016 0.000 0.928 78 V CB 1.516 33.325 31.823 -0.023 0.000 0.986 78 V HN 0.362 nan 8.190 nan 0.000 0.462 79 K N 3.301 123.698 120.400 -0.005 0.000 2.358 79 K HA 0.785 5.118 4.320 0.020 0.000 0.260 79 K C -0.739 175.863 176.600 0.004 0.000 0.956 79 K CA -0.364 55.925 56.287 0.004 0.000 0.834 79 K CB 1.570 34.073 32.500 0.005 0.000 1.102 79 K HN 0.871 nan 8.250 nan 0.000 0.431 80 A N 3.484 126.311 122.820 0.012 0.000 2.401 80 A HA 0.681 5.013 4.320 0.020 0.000 0.310 80 A C -1.473 176.128 177.584 0.028 0.000 1.075 80 A CA -0.897 51.148 52.037 0.014 0.000 0.746 80 A CB 1.248 20.252 19.000 0.006 0.000 1.277 80 A HN 0.755 nan 8.150 nan 0.000 0.425 81 K N 0.850 121.270 120.400 0.033 0.000 2.350 81 K HA 0.798 5.130 4.320 0.020 0.000 0.241 81 K C -1.105 175.526 176.600 0.051 0.000 0.994 81 K CA -0.607 55.704 56.287 0.040 0.000 0.839 81 K CB 0.711 33.230 32.500 0.030 0.000 1.244 81 K HN 0.436 nan 8.250 nan 0.000 0.443 82 L N 1.289 122.539 121.223 0.046 0.000 2.417 82 L HA 0.249 4.602 4.340 0.020 0.000 0.268 82 L C -0.341 176.527 176.870 -0.002 0.000 1.158 82 L CA -0.922 53.938 54.840 0.033 0.000 0.819 82 L CB 0.331 42.398 42.059 0.013 0.000 1.112 82 L HN 0.450 nan 8.230 nan 0.000 0.458 83 L N 1.619 122.828 121.223 -0.023 0.000 2.357 83 L HA 0.300 4.652 4.340 0.020 0.000 0.273 83 L C 0.436 177.234 176.870 -0.120 0.000 1.080 83 L CA 0.308 55.123 54.840 -0.042 0.000 0.803 83 L CB 1.708 43.750 42.059 -0.028 0.000 1.174 83 L HN 0.733 nan 8.230 nan 0.000 0.443 84 S N 1.526 117.164 115.700 -0.104 0.000 2.600 84 S HA 0.216 4.698 4.470 0.020 0.000 0.265 84 S C 1.278 175.788 174.600 -0.150 0.000 1.325 84 S CA -0.674 57.450 58.200 -0.126 0.000 1.002 84 S CB 0.895 64.044 63.200 -0.084 0.000 0.921 84 S HN 0.343 nan 8.310 nan 0.000 0.554 85 V N 2.238 122.056 119.914 -0.159 0.000 2.287 85 V HA -0.193 3.939 4.120 0.020 0.000 0.248 85 V C 2.919 178.929 176.094 -0.140 0.000 1.053 85 V CA 2.258 64.454 62.300 -0.173 0.000 1.027 85 V CB -1.236 30.470 31.823 -0.196 0.000 0.646 85 V HN 1.015 nan 8.190 nan 0.000 0.447 86 E N 0.611 120.744 120.200 -0.112 0.000 2.118 86 E HA -0.291 4.072 4.350 0.020 0.000 0.195 86 E C 1.864 178.407 176.600 -0.096 0.000 0.992 86 E CA 1.766 58.109 56.400 -0.095 0.000 0.804 86 E CB -0.447 29.211 29.700 -0.071 0.000 0.741 86 E HN 0.743 nan 8.360 nan 0.000 0.458 87 E N 1.214 121.353 120.200 -0.100 0.000 2.047 87 E HA -0.067 4.295 4.350 0.020 0.000 0.191 87 E C 2.206 178.711 176.600 -0.159 0.000 0.987 87 E CA 1.101 57.435 56.400 -0.111 0.000 0.799 87 E CB -0.170 29.475 29.700 -0.092 0.000 0.752 87 E HN 0.390 nan 8.360 nan 0.000 0.449 88 A N 0.835 123.560 122.820 -0.158 0.000 1.902 88 A HA -0.191 4.141 4.320 0.020 0.000 0.217 88 A C 2.412 179.905 177.584 -0.152 0.000 1.181 88 A CA 1.156 53.090 52.037 -0.172 0.000 0.623 88 A CB -0.872 18.050 19.000 -0.131 0.000 0.818 88 A HN 0.358 nan 8.150 nan 0.000 0.443 89 C N -0.509 118.716 119.300 -0.125 0.000 2.429 89 C HA -0.073 4.400 4.460 0.020 0.000 0.277 89 C C 2.640 177.566 174.990 -0.106 0.000 1.262 89 C CA 1.238 60.194 59.018 -0.104 0.000 1.733 89 C CB -0.985 26.696 27.740 -0.099 0.000 2.010 89 C HN 0.578 nan 8.230 nan 0.000 0.483 90 K N 0.430 120.764 120.400 -0.109 0.000 2.280 90 K HA -0.047 4.285 4.320 0.020 0.000 0.202 90 K C 1.504 178.038 176.600 -0.110 0.000 1.047 90 K CA 0.987 57.221 56.287 -0.089 0.000 0.942 90 K CB -0.200 32.255 32.500 -0.075 0.000 0.739 90 K HN 0.549 nan 8.250 nan 0.000 0.457 91 L N 0.744 121.848 121.223 -0.199 0.000 2.554 91 L HA -0.005 4.348 4.340 0.020 0.000 0.226 91 L C 0.450 177.185 176.870 -0.224 0.000 1.137 91 L CA 0.210 54.868 54.840 -0.303 0.000 0.863 91 L CB -0.037 41.729 42.059 -0.488 0.000 0.985 91 L HN -0.033 nan 8.230 nan 0.000 0.451 92 T N 1.624 116.084 114.554 -0.157 0.000 2.794 92 T HA 0.206 4.568 4.350 0.020 0.000 0.296 92 T C -2.296 172.274 174.700 -0.215 0.000 0.949 92 T CA -1.066 60.946 62.100 -0.147 0.000 1.101 92 T CB 1.038 69.843 68.868 -0.104 0.000 0.905 92 T HN -0.141 nan 8.240 nan 0.000 0.516 93 P HA 0.162 nan 4.420 nan 0.000 0.268 93 P C -1.889 175.129 177.300 -0.469 0.000 1.205 93 P CA -1.385 61.427 63.100 -0.479 0.000 0.771 93 P CB 0.307 31.840 31.700 -0.278 0.000 0.858 94 P HA -0.157 nan 4.420 nan 0.000 0.218 94 P C 0.373 177.603 177.300 -0.117 0.000 1.146 94 P CA 1.634 64.486 63.100 -0.413 0.000 0.813 94 P CB -0.172 31.195 31.700 -0.555 0.000 0.778 95 H N -2.580 116.358 119.070 -0.220 0.000 2.505 95 H HA 0.262 4.828 4.556 0.016 0.000 0.286 95 H C 0.564 175.810 175.328 -0.136 0.000 1.072 95 H CA -0.662 55.298 56.048 -0.147 0.000 1.141 95 H CB 0.275 29.963 29.762 -0.122 0.000 1.550 95 H HN 0.017 nan 8.280 nan 0.000 0.547 96 S N 1.556 117.226 115.700 -0.051 0.000 2.558 96 S HA 0.208 4.690 4.470 0.020 0.000 0.288 96 S C 0.728 175.293 174.600 -0.059 0.000 1.318 96 S CA -0.591 57.562 58.200 -0.078 0.000 1.056 96 S CB 0.241 63.389 63.200 -0.086 0.000 0.853 96 S HN 0.486 nan 8.310 nan 0.000 0.505 97 A N 4.787 127.555 122.820 -0.087 0.000 2.548 97 A HA 0.222 4.554 4.320 0.020 0.000 0.247 97 A C 0.593 178.157 177.584 -0.033 0.000 1.067 97 A CA -0.083 51.922 52.037 -0.054 0.000 0.757 97 A CB -0.250 18.722 19.000 -0.046 0.000 0.996 97 A HN 0.875 nan 8.150 nan 0.000 0.504 98 K N 2.231 122.599 120.400 -0.053 0.000 2.286 98 K HA 0.314 4.647 4.320 0.020 0.000 0.256 98 K C 0.387 176.886 176.600 -0.169 0.000 0.999 98 K CA 0.128 56.352 56.287 -0.106 0.000 0.908 98 K CB 0.348 32.783 32.500 -0.109 0.000 0.981 98 K HN 0.458 nan 8.250 nan 0.000 0.500 99 S N -0.240 115.248 115.700 -0.354 0.000 2.617 99 S HA 0.067 4.549 4.470 0.020 0.000 0.269 99 S C 0.658 174.978 174.600 -0.466 0.000 1.292 99 S CA -0.729 57.194 58.200 -0.460 0.000 1.010 99 S CB 0.653 63.294 63.200 -0.931 0.000 0.944 99 S HN 0.778 nan 8.310 nan 0.000 0.536 100 K N 1.751 121.801 120.400 -0.584 0.000 2.444 100 K HA 0.115 4.447 4.320 0.020 0.000 0.193 100 K C -0.286 175.871 176.600 -0.737 0.000 1.024 100 K CA 0.575 56.485 56.287 -0.628 0.000 1.077 100 K CB -0.196 31.892 32.500 -0.686 0.000 0.833 100 K HN 0.514 nan 8.250 nan 0.000 0.517 101 F N 1.437 121.197 119.950 -0.316 0.000 2.730 101 F HA 0.356 4.895 4.527 0.021 0.000 0.295 101 F C 1.060 176.751 175.800 -0.181 0.000 1.143 101 F CA -0.488 57.341 58.000 -0.285 0.000 1.367 101 F CB 0.731 39.424 39.000 -0.511 0.000 0.970 101 F HN 0.291 nan 8.300 nan 0.000 0.514 102 G N 0.508 109.260 108.800 -0.080 0.000 2.142 102 G HA2 -0.262 3.710 3.960 0.020 0.000 0.225 102 G HA3 -0.262 3.710 3.960 0.020 0.000 0.225 102 G C -0.387 174.588 174.900 0.125 0.000 1.015 102 G CA 0.114 45.230 45.100 0.027 0.000 0.716 102 G HN 0.578 nan 8.290 nan 0.000 0.508 103 Y N -2.877 117.409 120.300 -0.022 0.000 2.641 103 Y HA 0.719 5.281 4.550 0.019 0.000 0.333 103 Y C 0.254 176.146 175.900 -0.013 0.000 1.174 103 Y CA -1.007 57.085 58.100 -0.013 0.000 1.057 103 Y CB 0.481 38.940 38.460 -0.002 0.000 1.322 103 Y HN 0.770 nan 8.280 nan 0.000 0.457 104 G N 0.075 108.961 108.800 0.143 0.000 3.108 104 G HA2 0.560 4.532 3.960 0.020 0.000 0.268 104 G HA3 0.560 4.532 3.960 0.020 0.000 0.268 104 G C 0.305 175.277 174.900 0.120 0.000 1.361 104 G CA -0.764 44.368 45.100 0.053 0.000 1.047 104 G HN 1.255 nan 8.290 nan 0.000 0.540 105 A N -0.381 122.465 122.820 0.043 0.000 1.908 105 A HA -0.062 4.270 4.320 0.020 0.000 0.218 105 A C 2.302 179.887 177.584 0.002 0.000 1.181 105 A CA 2.355 54.401 52.037 0.015 0.000 0.627 105 A CB -0.461 18.517 19.000 -0.038 0.000 0.818 105 A HN 0.477 nan 8.150 nan 0.000 0.445 106 K N 0.614 121.017 120.400 0.005 0.000 2.009 106 K HA -0.135 4.197 4.320 0.020 0.000 0.210 106 K C 1.639 178.241 176.600 0.003 0.000 1.049 106 K CA 1.809 58.093 56.287 -0.006 0.000 0.929 106 K CB -0.421 32.080 32.500 0.002 0.000 0.714 106 K HN 0.567 nan 8.250 nan 0.000 0.440 107 D N -0.117 120.306 120.400 0.037 0.000 2.144 107 D HA -0.131 4.521 4.640 0.020 0.000 0.199 107 D C 1.926 178.221 176.300 -0.009 0.000 0.984 107 D CA 1.079 55.095 54.000 0.027 0.000 0.834 107 D CB -0.142 40.707 40.800 0.082 0.000 0.955 107 D HN -0.048 nan 8.370 nan 0.000 0.465 108 V N 1.490 121.420 119.914 0.027 0.000 2.261 108 V HA -0.237 3.895 4.120 0.020 0.000 0.246 108 V C 2.532 178.597 176.094 -0.048 0.000 1.047 108 V CA 1.601 63.892 62.300 -0.013 0.000 1.015 108 V CB -0.391 31.459 31.823 0.044 0.000 0.642 108 V HN 0.122 nan 8.190 nan 0.000 0.446 109 R N 0.344 120.816 120.500 -0.046 0.000 2.120 109 R HA -0.102 4.250 4.340 0.020 0.000 0.234 109 R C 1.819 178.089 176.300 -0.051 0.000 1.123 109 R CA 1.375 57.439 56.100 -0.061 0.000 0.975 109 R CB -0.376 29.877 30.300 -0.078 0.000 0.866 109 R HN 0.510 nan 8.270 nan 0.000 0.446 110 N N 0.880 119.554 118.700 -0.043 0.000 2.461 110 N HA 0.046 4.799 4.740 0.020 0.000 0.188 110 N C 0.171 175.652 175.510 -0.048 0.000 1.134 110 N CA 0.336 53.363 53.050 -0.039 0.000 0.878 110 N CB 0.253 38.723 38.487 -0.028 0.000 0.972 110 N HN 0.156 nan 8.380 nan 0.000 0.456 111 L N 0.857 122.042 121.223 -0.064 0.000 3.634 111 L HA -0.215 4.137 4.340 0.020 0.000 0.423 111 L C 0.118 176.937 176.870 -0.084 0.000 1.253 111 L CA -0.099 54.691 54.840 -0.083 0.000 0.885 111 L CB -2.593 39.423 42.059 -0.072 0.000 1.789 111 L HN 0.136 nan 8.230 nan 0.000 0.904 112 S N -2.350 113.300 115.700 -0.084 0.000 2.568 112 S HA 0.254 4.737 4.470 0.020 0.000 0.282 112 S C 1.280 175.818 174.600 -0.104 0.000 1.338 112 S CA 0.006 58.161 58.200 -0.076 0.000 1.045 112 S CB 1.830 64.993 63.200 -0.062 0.000 0.873 112 S HN 0.271 nan 8.310 nan 0.000 0.516 113 S N 1.254 116.909 115.700 -0.075 0.000 2.447 113 S HA -0.061 4.422 4.470 0.020 0.000 0.233 113 S C 1.759 176.304 174.600 -0.092 0.000 1.006 113 S CA 0.968 59.123 58.200 -0.075 0.000 0.957 113 S CB -0.354 62.825 63.200 -0.036 0.000 0.773 113 S HN 0.829 nan 8.310 nan 0.000 0.507 114 K N 1.470 121.815 120.400 -0.093 0.000 2.001 114 K HA -0.040 4.292 4.320 0.020 0.000 0.208 114 K C 2.248 178.701 176.600 -0.244 0.000 1.048 114 K CA 1.211 57.441 56.287 -0.095 0.000 0.932 114 K CB -0.348 32.127 32.500 -0.042 0.000 0.715 114 K HN 0.282 nan 8.250 nan 0.000 0.437 115 A N 0.710 123.280 122.820 -0.417 0.000 1.877 115 A HA -0.102 4.230 4.320 0.020 0.000 0.216 115 A C 2.256 179.532 177.584 -0.512 0.000 1.186 115 A CA 1.638 53.151 52.037 -0.873 0.000 0.620 115 A CB -0.728 17.866 19.000 -0.676 0.000 0.822 115 A HN 0.183 nan 8.150 nan 0.000 0.443 116 V N 0.921 120.631 119.914 -0.340 0.000 2.332 116 V HA -0.279 3.853 4.120 0.020 0.000 0.248 116 V C 2.434 178.308 176.094 -0.366 0.000 1.055 116 V CA 2.395 64.477 62.300 -0.364 0.000 1.038 116 V CB -1.155 30.485 31.823 -0.305 0.000 0.651 116 V HN 0.778 nan 8.190 nan 0.000 0.450 117 N N -0.359 118.235 118.700 -0.177 0.000 2.120 117 N HA -0.230 4.522 4.740 0.020 0.000 0.188 117 N C 2.002 177.504 175.510 -0.014 0.000 1.024 117 N CA 1.700 54.730 53.050 -0.034 0.000 0.852 117 N CB -0.342 38.150 38.487 0.009 0.000 1.003 117 N HN 0.643 nan 8.380 nan 0.000 0.424 118 H N -0.036 118.954 119.070 -0.133 0.000 2.389 118 H HA -0.040 4.528 4.556 0.021 0.000 0.299 118 H C 1.604 176.917 175.328 -0.025 0.000 1.081 118 H CA 1.248 57.260 56.048 -0.059 0.000 1.345 118 H CB 0.120 29.895 29.762 0.020 0.000 1.393 118 H HN 0.190 nan 8.280 nan 0.000 0.520 119 I N 0.844 121.337 120.570 -0.129 0.000 2.226 119 I HA -0.264 3.918 4.170 0.020 0.000 0.245 119 I C 2.195 178.293 176.117 -0.032 0.000 1.100 119 I CA 1.344 62.582 61.300 -0.102 0.000 1.374 119 I CB -1.603 36.303 38.000 -0.156 0.000 1.057 119 I HN 0.407 nan 8.210 nan 0.000 0.413 120 H N 0.527 119.566 119.070 -0.051 0.000 2.387 120 H HA -0.135 4.434 4.556 0.021 0.000 0.299 120 H C 2.518 177.858 175.328 0.019 0.000 1.090 120 H CA 1.582 57.629 56.048 -0.001 0.000 1.332 120 H CB 0.217 29.963 29.762 -0.027 0.000 1.386 120 H HN 0.402 nan 8.280 nan 0.000 0.516 121 S N 0.168 115.894 115.700 0.042 0.000 2.368 121 S HA -0.114 4.368 4.470 0.020 0.000 0.224 121 S C 2.277 176.820 174.600 -0.096 0.000 1.029 121 S CA 1.095 59.265 58.200 -0.049 0.000 0.988 121 S CB -0.682 62.444 63.200 -0.124 0.000 0.838 121 S HN 0.138 nan 8.310 nan 0.000 0.462 122 V N 0.959 120.763 119.914 -0.184 0.000 2.343 122 V HA -0.136 3.996 4.120 0.020 0.000 0.247 122 V C 2.255 178.360 176.094 0.018 0.000 1.051 122 V CA 1.858 64.080 62.300 -0.130 0.000 1.036 122 V CB -1.097 30.648 31.823 -0.129 0.000 0.654 122 V HN 0.709 nan 8.190 nan 0.000 0.451 123 W N 1.470 122.729 121.300 -0.069 0.000 2.335 123 W HA -0.244 4.428 4.660 0.021 0.000 0.311 123 W C 2.547 179.045 176.519 -0.034 0.000 1.213 123 W CA 2.391 59.720 57.345 -0.028 0.000 1.274 123 W CB -0.176 29.294 29.460 0.016 0.000 1.148 123 W HN 0.257 nan 8.180 nan 0.000 0.498 124 K N 0.644 121.105 120.400 0.102 0.000 2.032 124 K HA -0.296 4.036 4.320 0.020 0.000 0.209 124 K C 1.767 178.304 176.600 -0.105 0.000 1.048 124 K CA 2.416 58.698 56.287 -0.007 0.000 0.927 124 K CB -0.738 31.779 32.500 0.028 0.000 0.712 124 K HN 0.006 nan 8.250 nan 0.000 0.441 125 D N 0.251 120.595 120.400 -0.095 0.000 2.149 125 D HA -0.160 4.492 4.640 0.020 0.000 0.198 125 D C 2.013 178.222 176.300 -0.150 0.000 0.990 125 D CA 1.120 55.056 54.000 -0.107 0.000 0.839 125 D CB 0.019 40.763 40.800 -0.094 0.000 0.948 125 D HN 0.264 nan 8.370 nan 0.000 0.460 126 L N -0.167 120.925 121.223 -0.218 0.000 2.046 126 L HA -0.142 4.211 4.340 0.020 0.000 0.208 126 L C 2.473 179.162 176.870 -0.302 0.000 1.077 126 L CA 0.692 55.364 54.840 -0.280 0.000 0.747 126 L CB -0.368 41.447 42.059 -0.407 0.000 0.896 126 L HN 0.219 nan 8.230 nan 0.000 0.432 127 L N -0.816 120.192 121.223 -0.357 0.000 2.156 127 L HA -0.152 4.200 4.340 0.020 0.000 0.208 127 L C 2.226 179.001 176.870 -0.159 0.000 1.095 127 L CA 1.161 55.835 54.840 -0.276 0.000 0.770 127 L CB -0.389 41.507 42.059 -0.272 0.000 0.914 127 L HN 0.303 nan 8.230 nan 0.000 0.439 128 E N -1.063 119.058 120.200 -0.132 0.000 2.340 128 E HA -0.045 4.317 4.350 0.020 0.000 0.194 128 E C 0.159 176.713 176.600 -0.077 0.000 0.996 128 E CA 0.155 56.503 56.400 -0.087 0.000 0.869 128 E CB 0.393 30.052 29.700 -0.068 0.000 0.835 128 E HN 0.174 nan 8.360 nan 0.000 0.493 129 D N 0.373 120.718 120.400 -0.090 0.000 2.549 129 D HA 0.063 4.715 4.640 0.020 0.000 0.251 129 D C -0.270 175.980 176.300 -0.084 0.000 1.153 129 D CA -0.317 53.639 54.000 -0.073 0.000 0.861 129 D CB 1.432 42.194 40.800 -0.064 0.000 1.207 129 D HN -0.051 nan 8.370 nan 0.000 0.543 130 T N 0.392 114.905 114.554 -0.069 0.000 3.266 130 T HA 0.277 4.639 4.350 0.020 0.000 0.278 130 T C 0.859 175.530 174.700 -0.049 0.000 1.010 130 T CA -0.202 61.856 62.100 -0.069 0.000 0.909 130 T CB 0.202 69.031 68.868 -0.064 0.000 1.122 130 T HN 0.130 nan 8.240 nan 0.000 0.536 131 V N 0.175 120.064 119.914 -0.041 0.000 3.103 131 V HA 0.187 4.319 4.120 0.020 0.000 0.229 131 V C 1.001 177.086 176.094 -0.014 0.000 1.304 131 V CA 0.308 62.593 62.300 -0.025 0.000 1.298 131 V CB 0.101 31.912 31.823 -0.020 0.000 1.093 131 V HN 0.474 nan 8.190 nan 0.000 0.489 132 T N 4.244 118.788 114.554 -0.017 0.000 2.831 132 T HA 0.151 4.513 4.350 0.020 0.000 0.291 132 T C -2.413 172.286 174.700 -0.000 0.000 0.981 132 T CA -0.320 61.779 62.100 -0.003 0.000 1.174 132 T CB 0.550 69.414 68.868 -0.006 0.000 0.929 132 T HN 0.184 nan 8.240 nan 0.000 0.532 133 P HA 0.183 nan 4.420 nan 0.000 0.268 133 P C -0.175 177.124 177.300 -0.003 0.000 1.205 133 P CA -0.189 62.923 63.100 0.020 0.000 0.771 133 P CB 0.394 32.146 31.700 0.087 0.000 0.858 134 I N 2.262 122.814 120.570 -0.030 0.000 2.396 134 I HA 0.153 4.336 4.170 0.020 0.000 0.292 134 I C 0.899 176.998 176.117 -0.031 0.000 0.999 134 I CA -0.425 60.863 61.300 -0.020 0.000 1.310 134 I CB 0.790 38.772 38.000 -0.030 0.000 1.404 134 I HN 0.327 nan 8.210 nan 0.000 0.496 135 D N 4.386 124.783 120.400 -0.006 0.000 2.382 135 D HA 0.239 4.892 4.640 0.020 0.000 0.240 135 D C -0.363 175.900 176.300 -0.061 0.000 1.146 135 D CA 0.251 54.232 54.000 -0.032 0.000 0.897 135 D CB 0.848 41.645 40.800 -0.005 0.000 1.197 135 D HN 0.629 nan 8.370 nan 0.000 0.432 136 T N -0.928 113.559 114.554 -0.110 0.000 2.896 136 T HA 0.608 4.971 4.350 0.020 0.000 0.297 136 T C -0.439 174.107 174.700 -0.256 0.000 1.108 136 T CA -0.971 61.024 62.100 -0.175 0.000 1.004 136 T CB 1.529 70.320 68.868 -0.129 0.000 1.159 136 T HN 0.226 nan 8.240 nan 0.000 0.499 137 T N 1.939 116.192 114.554 -0.502 0.000 2.859 137 T HA 0.636 4.999 4.350 0.020 0.000 0.281 137 T C -0.561 173.893 174.700 -0.410 0.000 1.005 137 T CA -0.647 61.144 62.100 -0.515 0.000 1.025 137 T CB 0.908 69.299 68.868 -0.795 0.000 0.977 137 T HN 0.733 nan 8.240 nan 0.000 0.458 138 I N 3.847 124.329 120.570 -0.146 0.000 2.406 138 I HA 0.534 4.716 4.170 0.020 0.000 0.290 138 I C -1.111 175.040 176.117 0.056 0.000 0.999 138 I CA -0.824 60.479 61.300 0.005 0.000 1.124 138 I CB 0.772 38.819 38.000 0.079 0.000 1.289 138 I HN 0.410 nan 8.210 nan 0.000 0.441 139 M N 6.153 125.835 119.600 0.136 0.000 2.619 139 M HA 0.544 5.036 4.480 0.020 0.000 0.297 139 M C -0.612 175.752 176.300 0.107 0.000 1.229 139 M CA -0.620 54.762 55.300 0.137 0.000 0.860 139 M CB 1.857 34.592 32.600 0.226 0.000 1.741 139 M HN 0.588 nan 8.290 nan 0.000 0.462 140 A N 1.906 124.769 122.820 0.072 0.000 2.301 140 A HA 0.574 4.906 4.320 0.020 0.000 0.312 140 A C -0.182 177.439 177.584 0.061 0.000 1.182 140 A CA -0.559 51.511 52.037 0.055 0.000 0.826 140 A CB 0.505 19.523 19.000 0.030 0.000 1.134 140 A HN 0.769 nan 8.150 nan 0.000 0.501 141 K N 1.481 121.919 120.400 0.063 0.000 2.237 141 K HA 0.162 4.494 4.320 0.020 0.000 0.270 141 K C -0.609 176.005 176.600 0.023 0.000 1.015 141 K CA -0.012 56.302 56.287 0.045 0.000 0.949 141 K CB 0.695 33.227 32.500 0.053 0.000 0.976 141 K HN 0.772 nan 8.250 nan 0.000 0.472 142 N N 2.478 121.168 118.700 -0.017 0.000 2.609 142 N HA 0.099 4.852 4.740 0.020 0.000 0.234 142 N C -1.302 174.104 175.510 -0.173 0.000 1.001 142 N CA -0.288 52.721 53.050 -0.069 0.000 0.926 142 N CB 0.936 39.393 38.487 -0.050 0.000 1.130 142 N HN 0.376 nan 8.380 nan 0.000 0.510 143 E N 0.934 121.005 120.200 -0.215 0.000 2.256 143 E HA 0.399 4.761 4.350 0.020 0.000 0.267 143 E C -0.756 175.393 176.600 -0.752 0.000 0.892 143 E CA -0.943 55.196 56.400 -0.434 0.000 0.775 143 E CB 2.618 32.120 29.700 -0.331 0.000 1.207 143 E HN 0.074 nan 8.360 nan 0.000 0.420 144 V N 3.340 122.672 119.914 -0.971 0.000 2.509 144 V HA 0.421 4.553 4.120 0.020 0.000 0.284 144 V C -0.673 174.685 176.094 -1.227 0.000 1.047 144 V CA -0.007 61.692 62.300 -1.002 0.000 0.952 144 V CB 0.057 31.400 31.823 -0.801 0.000 0.988 144 V HN 0.515 nan 8.190 nan 0.000 0.469 145 F N 2.172 121.744 119.950 -0.629 0.000 2.726 145 F HA 0.650 5.191 4.527 0.023 0.000 0.324 145 F C -0.083 175.530 175.800 -0.312 0.000 1.140 145 F CA -0.828 56.889 58.000 -0.473 0.000 0.964 145 F CB 1.387 40.075 39.000 -0.521 0.000 1.399 145 F HN 0.525 nan 8.300 nan 0.000 0.491 146 C N 2.633 122.059 119.300 0.210 0.000 2.408 146 C HA 0.785 5.258 4.460 0.020 0.000 0.321 146 C C -0.333 174.885 174.990 0.380 0.000 1.245 146 C CA -0.806 58.374 59.018 0.271 0.000 1.523 146 C CB -0.046 27.788 27.740 0.158 0.000 2.178 146 C HN 0.760 nan 8.230 nan 0.000 0.488 147 V N 4.576 124.731 119.914 0.401 0.000 2.644 147 V HA 0.251 4.383 4.120 0.020 0.000 0.305 147 V C -0.200 175.976 176.094 0.136 0.000 1.053 147 V CA 0.643 63.077 62.300 0.223 0.000 1.186 147 V CB 0.288 32.163 31.823 0.086 0.000 0.895 147 V HN 0.946 nan 8.190 nan 0.000 0.490 148 Q N 6.805 126.657 119.800 0.086 0.000 2.357 148 Q HA 0.566 4.919 4.340 0.020 0.000 0.266 148 Q C -2.140 173.871 176.000 0.019 0.000 1.021 148 Q CA -1.568 54.264 55.803 0.049 0.000 0.784 148 Q CB 2.006 30.765 28.738 0.035 0.000 1.243 148 Q HN 0.852 nan 8.270 nan 0.000 0.465 153 G N 1.285 110.067 108.800 -0.031 0.000 2.387 153 G HA2 0.508 4.480 3.960 0.020 0.000 0.309 153 G HA3 0.508 4.480 3.960 0.020 0.000 0.309 153 G C -0.416 174.450 174.900 -0.057 0.000 1.641 153 G CA -1.090 43.982 45.100 -0.047 0.000 0.904 153 G HN 0.651 nan 8.290 nan 0.000 0.661 154 R N 0.638 121.075 120.500 -0.105 0.000 2.738 154 R HA 0.294 4.647 4.340 0.020 0.000 0.268 154 R C 0.154 176.432 176.300 -0.037 0.000 1.062 154 R CA 0.026 56.045 56.100 -0.136 0.000 1.158 154 R CB 0.794 30.840 30.300 -0.423 0.000 1.046 154 R HN 0.420 nan 8.270 nan 0.000 0.493 155 K N 2.410 122.846 120.400 0.060 0.000 2.172 155 K HA 0.272 4.604 4.320 0.020 0.000 0.276 155 K C -2.274 174.353 176.600 0.045 0.000 1.013 155 K CA -1.703 54.560 56.287 -0.040 0.000 0.913 155 K CB 0.970 33.278 32.500 -0.320 0.000 1.055 155 K HN 0.291 nan 8.250 nan 0.000 0.461 156 P HA 0.046 nan 4.420 nan 0.000 0.274 156 P C -0.933 176.403 177.300 0.060 0.000 1.231 156 P CA -0.424 62.697 63.100 0.035 0.000 0.790 156 P CB 0.752 32.456 31.700 0.007 0.000 0.951 157 A N 3.068 125.933 122.820 0.076 0.000 2.498 157 A HA 0.114 4.447 4.320 0.020 0.000 0.239 157 A C 0.518 178.146 177.584 0.074 0.000 1.068 157 A CA 0.054 52.146 52.037 0.092 0.000 0.766 157 A CB -0.165 18.878 19.000 0.071 0.000 1.003 157 A HN 0.457 nan 8.150 nan 0.000 0.497 158 R N 0.131 120.690 120.500 0.099 0.000 2.577 158 R HA 0.447 4.799 4.340 0.020 0.000 0.269 158 R C -1.042 175.310 176.300 0.085 0.000 1.084 158 R CA -0.640 55.518 56.100 0.096 0.000 1.163 158 R CB 0.307 30.680 30.300 0.122 0.000 1.100 158 R HN 0.491 nan 8.270 nan 0.000 0.547 159 L N 1.817 123.095 121.223 0.092 0.000 2.334 159 L HA 0.528 4.881 4.340 0.020 0.000 0.276 159 L C -0.208 176.746 176.870 0.140 0.000 1.014 159 L CA -0.361 54.537 54.840 0.096 0.000 0.815 159 L CB 1.443 43.541 42.059 0.065 0.000 1.268 159 L HN 0.527 nan 8.230 nan 0.000 0.428 160 I N 2.293 122.965 120.570 0.169 0.000 2.498 160 I HA 0.617 4.799 4.170 0.020 0.000 0.290 160 I C -1.322 174.971 176.117 0.293 0.000 1.032 160 I CA -0.624 60.811 61.300 0.225 0.000 1.073 160 I CB 1.887 40.013 38.000 0.210 0.000 1.251 160 I HN 0.230 nan 8.210 nan 0.000 0.426 161 V N 8.186 128.273 119.914 0.288 0.000 2.444 161 V HA 0.545 4.677 4.120 0.020 0.000 0.294 161 V C -0.792 175.477 176.094 0.291 0.000 1.022 161 V CA -0.461 61.966 62.300 0.211 0.000 0.850 161 V CB 1.223 33.145 31.823 0.165 0.000 0.992 161 V HN 0.589 nan 8.190 nan 0.000 0.426 162 F N 4.979 124.972 119.950 0.072 0.000 2.631 162 F HA 0.949 5.490 4.527 0.022 0.000 0.308 162 F C -3.073 172.763 175.800 0.060 0.000 1.097 162 F CA -2.740 55.303 58.000 0.071 0.000 0.952 162 F CB 1.681 40.718 39.000 0.061 0.000 1.307 162 F HN 0.299 nan 8.300 nan 0.000 0.450 163 P HA 0.205 nan 4.420 nan 0.000 0.284 163 P C -1.123 176.282 177.300 0.175 0.000 1.292 163 P CA -0.162 62.992 63.100 0.090 0.000 0.800 163 P CB 1.322 33.093 31.700 0.120 0.000 1.188 164 D N -0.902 119.581 120.400 0.138 0.000 2.368 164 D HA -0.035 4.617 4.640 0.020 0.000 0.240 164 D C 1.382 177.808 176.300 0.209 0.000 1.169 164 D CA -0.325 53.774 54.000 0.166 0.000 0.906 164 D CB 0.280 41.203 40.800 0.206 0.000 1.187 164 D HN 0.093 nan 8.370 nan 0.000 0.435 165 L N 3.268 124.589 121.223 0.163 0.000 2.051 165 L HA -0.058 4.295 4.340 0.020 0.000 0.214 165 L C 2.036 179.058 176.870 0.253 0.000 1.076 165 L CA 2.663 57.600 54.840 0.163 0.000 0.758 165 L CB -1.163 40.938 42.059 0.070 0.000 0.890 165 L HN 0.668 nan 8.230 nan 0.000 0.433 166 G N -1.291 107.735 108.800 0.377 0.000 2.440 166 G HA2 -0.214 3.758 3.960 0.020 0.000 0.218 166 G HA3 -0.214 3.758 3.960 0.020 0.000 0.218 166 G C 1.541 176.596 174.900 0.259 0.000 1.154 166 G CA 1.138 46.500 45.100 0.436 0.000 0.767 166 G HN 0.369 nan 8.290 nan 0.000 0.552 167 V N 0.831 120.887 119.914 0.236 0.000 2.343 167 V HA -0.176 3.957 4.120 0.020 0.000 0.247 167 V C 2.929 179.125 176.094 0.170 0.000 1.051 167 V CA 1.954 64.358 62.300 0.172 0.000 1.036 167 V CB -0.489 31.420 31.823 0.144 0.000 0.654 167 V HN 0.333 nan 8.190 nan 0.000 0.451 168 R N -0.256 120.350 120.500 0.176 0.000 2.105 168 R HA -0.141 4.211 4.340 0.020 0.000 0.239 168 R C 2.216 178.592 176.300 0.128 0.000 1.135 168 R CA 1.547 57.740 56.100 0.155 0.000 0.967 168 R CB -0.679 29.703 30.300 0.138 0.000 0.861 168 R HN 0.432 nan 8.270 nan 0.000 0.442 169 V N 0.328 120.316 119.914 0.123 0.000 2.427 169 V HA -0.268 3.864 4.120 0.020 0.000 0.248 169 V C 2.454 178.606 176.094 0.096 0.000 1.051 169 V CA 1.471 63.816 62.300 0.076 0.000 1.048 169 V CB -0.408 31.452 31.823 0.062 0.000 0.666 169 V HN 0.449 nan 8.190 nan 0.000 0.456 170 C N -0.080 119.322 119.300 0.170 0.000 2.435 170 C HA -0.108 4.364 4.460 0.020 0.000 0.279 170 C C 2.632 177.807 174.990 0.309 0.000 1.321 170 C CA 0.708 59.905 59.018 0.299 0.000 1.752 170 C CB -0.960 27.014 27.740 0.390 0.000 1.959 170 C HN 0.625 nan 8.230 nan 0.000 0.500 171 E N 0.957 121.292 120.200 0.225 0.000 2.077 171 E HA -0.214 4.148 4.350 0.020 0.000 0.193 171 E C 2.126 178.853 176.600 0.211 0.000 0.989 171 E CA 1.128 57.667 56.400 0.232 0.000 0.800 171 E CB -0.144 29.699 29.700 0.240 0.000 0.746 171 E HN 0.640 nan 8.360 nan 0.000 0.452 172 K N 0.408 120.902 120.400 0.156 0.000 2.057 172 K HA -0.109 4.223 4.320 0.020 0.000 0.207 172 K C 2.220 178.892 176.600 0.120 0.000 1.049 172 K CA 1.388 57.750 56.287 0.125 0.000 0.931 172 K CB -0.127 32.365 32.500 -0.013 0.000 0.714 172 K HN 0.125 nan 8.250 nan 0.000 0.440 173 M N 0.270 119.909 119.600 0.066 0.000 2.117 173 M HA -0.165 4.327 4.480 0.020 0.000 0.262 173 M C 2.436 178.796 176.300 0.099 0.000 1.065 173 M CA 1.752 57.039 55.300 -0.022 0.000 1.114 173 M CB -0.343 32.089 32.600 -0.279 0.000 1.361 173 M HN 0.228 nan 8.290 nan 0.000 0.408 174 A N -0.530 122.458 122.820 0.280 0.000 1.975 174 A HA 0.080 4.412 4.320 0.020 0.000 0.215 174 A C 1.837 179.527 177.584 0.175 0.000 1.170 174 A CA 1.021 53.254 52.037 0.326 0.000 0.656 174 A CB -0.154 19.091 19.000 0.408 0.000 0.821 174 A HN 0.488 nan 8.150 nan 0.000 0.449 175 L N -3.009 118.303 121.223 0.149 0.000 2.920 175 L HA 0.188 4.540 4.340 0.020 0.000 0.257 175 L C 1.852 178.758 176.870 0.060 0.000 1.150 175 L CA 0.008 54.877 54.840 0.049 0.000 0.959 175 L CB 0.022 42.073 42.059 -0.013 0.000 1.321 175 L HN 0.431 nan 8.230 nan 0.000 0.555 176 Y N 1.649 121.966 120.300 0.029 0.000 2.114 176 Y HA -0.357 4.205 4.550 0.021 0.000 0.282 176 Y C 2.185 178.115 175.900 0.050 0.000 1.165 176 Y CA 2.333 60.464 58.100 0.050 0.000 1.148 176 Y CB 0.023 38.504 38.460 0.035 0.000 0.972 176 Y HN 0.250 nan 8.280 nan 0.000 0.504 177 D N -0.890 119.529 120.400 0.031 0.000 2.144 177 D HA -0.158 4.495 4.640 0.020 0.000 0.200 177 D C 2.160 178.394 176.300 -0.111 0.000 0.978 177 D CA 1.394 55.363 54.000 -0.052 0.000 0.833 177 D CB -0.162 40.663 40.800 0.041 0.000 0.961 177 D HN 0.256 nan 8.370 nan 0.000 0.470 178 V N 0.385 120.242 119.914 -0.096 0.000 2.270 178 V HA -0.206 3.926 4.120 0.020 0.000 0.245 178 V C 2.635 178.621 176.094 -0.181 0.000 1.043 178 V CA 1.743 63.967 62.300 -0.128 0.000 1.014 178 V CB -0.606 31.118 31.823 -0.166 0.000 0.645 178 V HN 0.354 nan 8.190 nan 0.000 0.447 179 V N -2.531 117.252 119.914 -0.218 0.000 3.141 179 V HA -0.044 4.088 4.120 0.020 0.000 0.265 179 V C 1.917 177.856 176.094 -0.259 0.000 1.126 179 V CA 1.945 64.110 62.300 -0.224 0.000 1.141 179 V CB -0.247 31.464 31.823 -0.187 0.000 0.743 179 V HN 0.450 nan 8.190 nan 0.000 0.492 180 S N 0.845 116.380 115.700 -0.275 0.000 2.503 180 S HA 0.014 4.497 4.470 0.020 0.000 0.217 180 S C 1.820 176.318 174.600 -0.171 0.000 0.999 180 S CA 1.189 59.241 58.200 -0.246 0.000 0.914 180 S CB 0.189 63.170 63.200 -0.365 0.000 0.782 180 S HN 0.945 nan 8.310 nan 0.000 0.520 181 T N -1.314 113.136 114.554 -0.172 0.000 2.964 181 T HA 0.301 4.663 4.350 0.020 0.000 0.250 181 T C 1.563 176.162 174.700 -0.169 0.000 0.982 181 T CA -0.213 61.803 62.100 -0.140 0.000 0.959 181 T CB -0.453 68.360 68.868 -0.091 0.000 1.141 181 T HN 0.208 nan 8.240 nan 0.000 0.494 182 L N 1.796 122.915 121.223 -0.174 0.000 2.027 182 L HA 0.198 4.551 4.340 0.020 0.000 0.206 182 L C -0.904 175.805 176.870 -0.269 0.000 1.074 182 L CA 1.151 55.894 54.840 -0.162 0.000 0.745 182 L CB -0.726 41.288 42.059 -0.074 0.000 0.898 182 L HN 0.120 nan 8.230 nan 0.000 0.433 183 P HA -0.275 nan 4.420 nan 0.000 0.216 183 P C 1.300 178.160 177.300 -0.733 0.000 1.157 183 P CA 1.657 64.338 63.100 -0.698 0.000 0.880 183 P CB -0.061 30.915 31.700 -1.206 0.000 0.791 184 Q N -0.464 118.925 119.800 -0.685 0.000 2.170 184 Q HA -0.130 4.222 4.340 0.020 0.000 0.203 184 Q C 1.828 177.691 176.000 -0.227 0.000 0.976 184 Q CA 1.333 56.929 55.803 -0.345 0.000 0.858 184 Q CB -0.323 28.315 28.738 -0.167 0.000 0.907 184 Q HN 0.054 nan 8.270 nan 0.000 0.433 185 V N -0.493 119.294 119.914 -0.212 0.000 2.379 185 V HA -0.184 3.949 4.120 0.020 0.000 0.245 185 V C 2.152 178.157 176.094 -0.149 0.000 1.044 185 V CA 1.189 63.404 62.300 -0.143 0.000 1.036 185 V CB -0.103 31.654 31.823 -0.111 0.000 0.664 185 V HN 0.221 nan 8.190 nan 0.000 0.453 186 V N -0.504 119.290 119.914 -0.201 0.000 2.323 186 V HA -0.187 3.945 4.120 0.020 0.000 0.244 186 V C 2.083 178.005 176.094 -0.286 0.000 1.041 186 V CA 2.119 64.296 62.300 -0.205 0.000 1.025 186 V CB -0.414 31.276 31.823 -0.223 0.000 0.656 186 V HN 0.466 nan 8.190 nan 0.000 0.451 187 M N -1.069 118.285 119.600 -0.409 0.000 2.441 187 M HA 0.341 4.834 4.480 0.020 0.000 0.244 187 M C 1.479 177.657 176.300 -0.203 0.000 1.122 187 M CA 0.748 55.731 55.300 -0.529 0.000 1.041 187 M CB 0.235 32.390 32.600 -0.742 0.000 1.438 187 M HN 0.467 nan 8.290 nan 0.000 0.484 188 G N 1.650 110.364 108.800 -0.144 0.000 2.634 188 G HA2 -0.404 3.568 3.960 0.020 0.000 0.309 188 G HA3 -0.404 3.568 3.960 0.020 0.000 0.309 188 G C 0.863 175.717 174.900 -0.076 0.000 1.265 188 G CA 0.915 45.970 45.100 -0.076 0.000 0.998 188 G HN 0.539 nan 8.290 nan 0.000 0.551 189 S N -0.606 115.065 115.700 -0.049 0.000 2.500 189 S HA 0.075 4.557 4.470 0.020 0.000 0.239 189 S C 2.176 176.671 174.600 -0.174 0.000 0.989 189 S CA 1.950 60.061 58.200 -0.147 0.000 0.951 189 S CB -0.092 63.062 63.200 -0.076 0.000 0.759 189 S HN 0.987 nan 8.310 nan 0.000 0.523 190 S N 0.184 115.890 115.700 0.009 0.000 2.489 190 S HA 0.125 4.608 4.470 0.020 0.000 0.228 190 S C 0.214 174.851 174.600 0.061 0.000 0.995 190 S CA -0.123 58.140 58.200 0.105 0.000 0.934 190 S CB -0.399 62.965 63.200 0.273 0.000 0.771 190 S HN 0.707 nan 8.310 nan 0.000 0.522 191 Y N 3.109 123.308 120.300 -0.169 0.000 2.584 191 Y HA 0.439 5.001 4.550 0.020 0.000 0.351 191 Y C 1.292 177.049 175.900 -0.239 0.000 1.030 191 Y CA -1.423 56.553 58.100 -0.207 0.000 1.332 191 Y CB -0.100 38.223 38.460 -0.228 0.000 1.148 191 Y HN 0.071 nan 8.280 nan 0.000 0.528 192 G N 4.525 112.978 108.800 -0.577 0.000 2.432 192 G HA2 -0.286 3.686 3.960 0.020 0.000 0.219 192 G HA3 -0.286 3.686 3.960 0.020 0.000 0.219 192 G C 1.082 175.512 174.900 -0.782 0.000 1.135 192 G CA 0.375 45.131 45.100 -0.573 0.000 0.767 192 G HN 0.650 nan 8.290 nan 0.000 0.550 193 F N 1.323 120.649 119.950 -1.040 0.000 2.771 193 F HA 0.045 4.584 4.527 0.021 0.000 0.299 193 F C 2.776 178.375 175.800 -0.335 0.000 1.177 193 F CA 0.908 58.396 58.000 -0.853 0.000 1.450 193 F CB -0.114 38.322 39.000 -0.939 0.000 1.114 193 F HN 0.390 nan 8.300 nan 0.000 0.587 194 Q N -0.857 118.732 119.800 -0.351 0.000 2.451 194 Q HA -0.040 4.312 4.340 0.020 0.000 0.206 194 Q C -0.636 175.228 176.000 -0.226 0.000 0.947 194 Q CA 0.584 56.259 55.803 -0.214 0.000 0.937 194 Q CB -0.243 28.266 28.738 -0.382 0.000 1.025 194 Q HN 0.306 nan 8.270 nan 0.000 0.511 195 Y N 1.805 122.114 120.300 0.014 0.000 2.341 195 Y HA 0.324 4.886 4.550 0.020 0.000 0.337 195 Y C 0.519 176.309 175.900 -0.183 0.000 1.014 195 Y CA -1.125 56.937 58.100 -0.064 0.000 1.111 195 Y CB 1.553 39.934 38.460 -0.132 0.000 1.194 195 Y HN 0.093 nan 8.280 nan 0.000 0.462 196 S N 2.551 118.044 115.700 -0.346 0.000 2.624 196 S HA 0.285 4.767 4.470 0.020 0.000 0.263 196 S C -2.030 172.249 174.600 -0.535 0.000 1.287 196 S CA -1.114 56.370 58.200 -1.193 0.000 0.990 196 S CB 1.393 63.987 63.200 -1.009 0.000 0.950 196 S HN 0.410 nan 8.310 nan 0.000 0.561 197 P HA -0.053 nan 4.420 nan 0.000 0.216 197 P C 1.728 178.957 177.300 -0.118 0.000 1.157 197 P CA 1.894 64.870 63.100 -0.208 0.000 0.880 197 P CB -0.526 31.112 31.700 -0.104 0.000 0.791 198 G N -0.598 108.113 108.800 -0.149 0.000 2.422 198 G HA2 -0.267 3.705 3.960 0.020 0.000 0.218 198 G HA3 -0.267 3.705 3.960 0.020 0.000 0.218 198 G C 1.502 176.362 174.900 -0.067 0.000 1.146 198 G CA 0.581 45.647 45.100 -0.057 0.000 0.769 198 G HN 0.328 nan 8.290 nan 0.000 0.547 199 Q N -0.523 119.222 119.800 -0.092 0.000 2.119 199 Q HA 0.015 4.368 4.340 0.020 0.000 0.201 199 Q C 2.590 178.494 176.000 -0.160 0.000 0.972 199 Q CA 0.821 56.607 55.803 -0.028 0.000 0.847 199 Q CB -0.123 28.683 28.738 0.115 0.000 0.903 199 Q HN 0.450 nan 8.270 nan 0.000 0.433 200 R N 0.468 120.858 120.500 -0.184 0.000 2.073 200 R HA -0.137 4.215 4.340 0.020 0.000 0.234 200 R C 2.130 178.316 176.300 -0.190 0.000 1.134 200 R CA 1.314 57.237 56.100 -0.294 0.000 0.952 200 R CB -0.206 30.015 30.300 -0.132 0.000 0.850 200 R HN 0.094 nan 8.270 nan 0.000 0.433 201 V N 1.512 121.357 119.914 -0.115 0.000 2.332 201 V HA -0.262 3.870 4.120 0.020 0.000 0.248 201 V C 2.391 178.414 176.094 -0.118 0.000 1.055 201 V CA 2.294 64.535 62.300 -0.099 0.000 1.038 201 V CB -0.612 31.194 31.823 -0.028 0.000 0.651 201 V HN 0.515 nan 8.190 nan 0.000 0.450 202 E N -0.396 119.757 120.200 -0.079 0.000 2.058 202 E HA -0.288 4.074 4.350 0.020 0.000 0.194 202 E C 2.141 178.695 176.600 -0.077 0.000 0.997 202 E CA 1.829 58.194 56.400 -0.059 0.000 0.801 202 E CB -0.258 29.437 29.700 -0.009 0.000 0.746 202 E HN 0.526 nan 8.360 nan 0.000 0.450 203 F N 1.299 121.086 119.950 -0.272 0.000 2.095 203 F HA -0.179 4.360 4.527 0.020 0.000 0.298 203 F C 1.959 177.630 175.800 -0.215 0.000 1.104 203 F CA 1.464 59.290 58.000 -0.291 0.000 1.232 203 F CB -0.367 38.275 39.000 -0.597 0.000 0.987 203 F HN 0.021 nan 8.300 nan 0.000 0.475 204 L N -0.777 120.272 121.223 -0.290 0.000 1.994 204 L HA -0.252 4.101 4.340 0.020 0.000 0.208 204 L C 2.413 179.113 176.870 -0.284 0.000 1.071 204 L CA 1.349 56.001 54.840 -0.312 0.000 0.745 204 L CB -0.993 40.940 42.059 -0.211 0.000 0.892 204 L HN -0.001 nan 8.230 nan 0.000 0.431 205 V N 0.064 119.800 119.914 -0.296 0.000 2.295 205 V HA -0.283 3.849 4.120 0.020 0.000 0.246 205 V C 2.210 178.181 176.094 -0.205 0.000 1.049 205 V CA 1.951 64.046 62.300 -0.341 0.000 1.024 205 V CB -0.695 30.808 31.823 -0.534 0.000 0.648 205 V HN 0.488 nan 8.190 nan 0.000 0.447 206 N N -0.153 118.429 118.700 -0.196 0.000 2.244 206 N HA -0.117 4.635 4.740 0.020 0.000 0.183 206 N C 1.893 177.297 175.510 -0.178 0.000 1.016 206 N CA 1.733 54.697 53.050 -0.143 0.000 0.866 206 N CB -0.457 37.970 38.487 -0.100 0.000 0.980 206 N HN 0.460 nan 8.380 nan 0.000 0.430 207 T N 0.431 114.797 114.554 -0.313 0.000 2.777 207 T HA -0.127 4.235 4.350 0.020 0.000 0.266 207 T C 1.483 176.088 174.700 -0.159 0.000 1.040 207 T CA 0.568 62.464 62.100 -0.339 0.000 1.141 207 T CB -0.130 68.369 68.868 -0.614 0.000 0.868 207 T HN 0.423 nan 8.240 nan 0.000 0.444 208 W N 2.257 123.389 121.300 -0.279 0.000 2.355 208 W HA -0.080 4.593 4.660 0.021 0.000 0.309 208 W C 1.865 178.294 176.519 -0.151 0.000 1.206 208 W CA 1.156 58.380 57.345 -0.202 0.000 1.284 208 W CB -0.206 29.127 29.460 -0.212 0.000 1.145 208 W HN 0.240 nan 8.180 nan 0.000 0.502 209 K N 0.306 120.734 120.400 0.047 0.000 2.280 209 K HA -0.152 4.180 4.320 0.020 0.000 0.202 209 K C 2.123 178.675 176.600 -0.081 0.000 1.047 209 K CA 1.719 58.000 56.287 -0.009 0.000 0.942 209 K CB -0.303 32.197 32.500 -0.000 0.000 0.739 209 K HN 0.080 nan 8.250 nan 0.000 0.457 210 S N 0.460 116.094 115.700 -0.110 0.000 2.522 210 S HA 0.005 4.487 4.470 0.020 0.000 0.227 210 S C 0.512 175.032 174.600 -0.134 0.000 0.986 210 S CA 0.255 58.391 58.200 -0.107 0.000 0.929 210 S CB 0.074 63.213 63.200 -0.102 0.000 0.769 210 S HN -0.033 nan 8.310 nan 0.000 0.529 211 K N 1.784 122.061 120.400 -0.206 0.000 2.143 211 K HA 0.302 4.634 4.320 0.020 0.000 0.272 211 K C 0.712 177.194 176.600 -0.196 0.000 1.001 211 K CA -0.410 55.742 56.287 -0.224 0.000 0.915 211 K CB 1.392 33.685 32.500 -0.345 0.000 1.047 211 K HN 0.168 nan 8.250 nan 0.000 0.458 212 K N 1.108 121.422 120.400 -0.143 0.000 2.103 212 K HA -0.125 4.207 4.320 0.020 0.000 0.204 212 K C 0.045 176.571 176.600 -0.123 0.000 1.052 212 K CA 1.287 57.509 56.287 -0.109 0.000 0.945 212 K CB 0.203 32.657 32.500 -0.076 0.000 0.722 212 K HN 0.445 nan 8.250 nan 0.000 0.443 213 N N 0.594 119.203 118.700 -0.152 0.000 2.710 213 N HA 0.212 4.964 4.740 0.020 0.000 0.244 213 N C -2.986 172.399 175.510 -0.208 0.000 1.321 213 N CA -2.012 50.953 53.050 -0.142 0.000 0.758 213 N CB 1.502 39.938 38.487 -0.086 0.000 1.284 213 N HN -0.061 nan 8.380 nan 0.000 0.530 214 P HA 0.159 nan 4.420 nan 0.000 0.271 214 P C -0.607 176.412 177.300 -0.468 0.000 1.218 214 P CA -0.295 62.359 63.100 -0.743 0.000 0.780 214 P CB 1.065 31.713 31.700 -1.755 0.000 0.901 215 M N 1.842 121.202 119.600 -0.400 0.000 2.421 215 M HA 0.636 5.128 4.480 0.020 0.000 0.287 215 M C -1.393 174.876 176.300 -0.051 0.000 1.183 215 M CA -0.272 54.943 55.300 -0.142 0.000 0.916 215 M CB 2.383 34.974 32.600 -0.014 0.000 1.701 215 M HN 0.625 nan 8.290 nan 0.000 0.470 216 G N 3.314 112.191 108.800 0.129 0.000 2.690 216 G HA2 0.848 4.820 3.960 0.020 0.000 0.291 216 G HA3 0.848 4.820 3.960 0.020 0.000 0.291 216 G C -2.030 172.978 174.900 0.179 0.000 1.403 216 G CA -0.622 44.578 45.100 0.168 0.000 0.864 216 G HN 0.868 nan 8.290 nan 0.000 0.480 217 F N -0.882 119.030 119.950 -0.063 0.000 2.713 217 F HA 0.827 5.367 4.527 0.021 0.000 0.311 217 F C -0.342 175.434 175.800 -0.041 0.000 1.141 217 F CA -1.358 56.597 58.000 -0.076 0.000 0.939 217 F CB 1.381 40.312 39.000 -0.115 0.000 1.325 217 F HN 0.717 nan 8.300 nan 0.000 0.453 218 S N 0.587 116.374 115.700 0.144 0.000 2.537 218 S HA 0.720 5.202 4.470 0.020 0.000 0.301 218 S C -1.804 172.977 174.600 0.301 0.000 1.092 218 S CA -0.627 57.626 58.200 0.088 0.000 1.048 218 S CB 1.896 65.126 63.200 0.051 0.000 1.053 218 S HN 0.929 nan 8.310 nan 0.000 0.501 219 Y N 1.421 121.820 120.300 0.165 0.000 2.331 219 Y HA 0.497 5.059 4.550 0.020 0.000 0.334 219 Y C -1.202 174.818 175.900 0.200 0.000 0.960 219 Y CA -0.729 57.531 58.100 0.265 0.000 1.130 219 Y CB 1.560 40.280 38.460 0.433 0.000 1.164 219 Y HN 0.899 nan 8.280 nan 0.000 0.458 220 D N 4.272 124.539 120.400 -0.222 0.000 2.392 220 D HA 0.267 4.919 4.640 0.020 0.000 0.228 220 D C -0.859 175.315 176.300 -0.210 0.000 1.074 220 D CA -0.142 53.793 54.000 -0.109 0.000 0.838 220 D CB 1.174 41.937 40.800 -0.063 0.000 1.067 220 D HN 0.460 nan 8.370 nan 0.000 0.511 221 T N 3.529 118.129 114.554 0.076 0.000 2.869 221 T HA 0.147 4.509 4.350 0.020 0.000 0.295 221 T C 0.369 175.161 174.700 0.153 0.000 0.987 221 T CA -0.523 61.689 62.100 0.187 0.000 1.109 221 T CB 0.747 69.929 68.868 0.524 0.000 0.932 221 T HN 0.317 nan 8.240 nan 0.000 0.518 222 R N 2.279 122.832 120.500 0.088 0.000 2.351 222 R HA 0.102 4.454 4.340 0.020 0.000 0.318 222 R C 0.174 176.582 176.300 0.180 0.000 1.055 222 R CA -0.216 55.930 56.100 0.078 0.000 0.968 222 R CB -0.697 29.592 30.300 -0.019 0.000 0.974 222 R HN 0.924 nan 8.270 nan 0.000 0.439 223 C N 6.584 126.020 119.300 0.227 0.000 3.349 223 C HA -0.194 4.278 4.460 0.020 0.000 0.275 223 C C 1.311 176.518 174.990 0.362 0.000 1.322 223 C CA 0.243 59.446 59.018 0.309 0.000 2.261 223 C CB -2.481 25.493 27.740 0.391 0.000 1.446 223 C HN 1.071 nan 8.230 nan 0.000 0.533 224 F N 1.796 121.868 119.950 0.203 0.000 2.085 224 F HA -0.176 4.363 4.527 0.021 0.000 0.299 224 F C 1.787 177.701 175.800 0.190 0.000 1.096 224 F CA 2.653 60.773 58.000 0.199 0.000 1.227 224 F CB -0.133 38.973 39.000 0.176 0.000 0.983 224 F HN 0.571 nan 8.300 nan 0.000 0.482 225 D N -0.496 120.164 120.400 0.433 0.000 2.133 225 D HA -0.168 4.485 4.640 0.020 0.000 0.195 225 D C 2.440 178.811 176.300 0.118 0.000 0.997 225 D CA 1.729 55.905 54.000 0.292 0.000 0.840 225 D CB -0.469 40.499 40.800 0.280 0.000 0.947 225 D HN 0.262 nan 8.370 nan 0.000 0.452 226 S N -0.761 115.015 115.700 0.127 0.000 2.461 226 S HA -0.084 4.398 4.470 0.020 0.000 0.228 226 S C 1.986 176.552 174.600 -0.057 0.000 1.005 226 S CA 1.230 59.389 58.200 -0.068 0.000 0.942 226 S CB -0.142 62.935 63.200 -0.204 0.000 0.776 226 S HN 0.516 nan 8.310 nan 0.000 0.514 227 T N -0.409 114.202 114.554 0.095 0.000 3.067 227 T HA 0.126 4.488 4.350 0.020 0.000 0.261 227 T C 0.623 175.260 174.700 -0.104 0.000 1.110 227 T CA 0.039 62.183 62.100 0.074 0.000 1.113 227 T CB -0.417 68.446 68.868 -0.009 0.000 0.917 227 T HN 0.034 nan 8.240 nan 0.000 0.499 228 V N 4.147 123.960 119.914 -0.169 0.000 2.446 228 V HA 0.282 4.414 4.120 0.020 0.000 0.276 228 V C 1.167 177.218 176.094 -0.072 0.000 1.030 228 V CA -0.218 62.004 62.300 -0.130 0.000 1.033 228 V CB -0.057 31.736 31.823 -0.050 0.000 0.993 228 V HN 0.718 nan 8.190 nan 0.000 0.477 229 T N 1.168 115.693 114.554 -0.048 0.000 2.902 229 T HA 0.323 4.686 4.350 0.020 0.000 0.280 229 T C 0.966 175.653 174.700 -0.021 0.000 0.992 229 T CA -0.632 61.445 62.100 -0.038 0.000 1.015 229 T CB 1.271 70.123 68.868 -0.028 0.000 1.044 229 T HN 0.654 nan 8.240 nan 0.000 0.520 230 E N 0.476 120.663 120.200 -0.021 0.000 2.153 230 E HA -0.175 4.187 4.350 0.020 0.000 0.194 230 E C 1.897 178.501 176.600 0.007 0.000 0.988 230 E CA 1.065 57.464 56.400 -0.002 0.000 0.811 230 E CB -0.199 29.499 29.700 -0.003 0.000 0.746 230 E HN 0.673 nan 8.360 nan 0.000 0.466 231 N N 0.826 119.525 118.700 -0.002 0.000 2.142 231 N HA -0.145 4.607 4.740 0.020 0.000 0.186 231 N C 1.305 176.825 175.510 0.017 0.000 1.023 231 N CA 1.225 54.276 53.050 0.002 0.000 0.852 231 N CB 0.058 38.536 38.487 -0.014 0.000 0.998 231 N HN 0.047 nan 8.380 nan 0.000 0.424 232 D N 0.183 120.594 120.400 0.019 0.000 2.123 232 D HA -0.136 4.516 4.640 0.020 0.000 0.196 232 D C 1.892 178.210 176.300 0.029 0.000 0.992 232 D CA 0.925 54.949 54.000 0.041 0.000 0.833 232 D CB -0.228 40.592 40.800 0.033 0.000 0.954 232 D HN 0.410 nan 8.370 nan 0.000 0.455 233 I N 0.560 121.149 120.570 0.031 0.000 2.394 233 I HA -0.189 3.993 4.170 0.020 0.000 0.251 233 I C 2.500 178.637 176.117 0.033 0.000 1.136 233 I CA 0.808 62.136 61.300 0.046 0.000 1.425 233 I CB -0.089 37.958 38.000 0.078 0.000 1.079 233 I HN -0.087 nan 8.210 nan 0.000 0.425 234 R N 0.142 120.658 120.500 0.026 0.000 2.090 234 R HA -0.052 4.301 4.340 0.020 0.000 0.228 234 R C 2.343 178.632 176.300 -0.018 0.000 1.110 234 R CA 0.929 57.039 56.100 0.017 0.000 0.973 234 R CB -0.328 29.983 30.300 0.019 0.000 0.869 234 R HN 0.225 nan 8.270 nan 0.000 0.440 235 V N 1.520 121.425 119.914 -0.015 0.000 2.343 235 V HA -0.234 3.898 4.120 0.020 0.000 0.247 235 V C 1.970 177.986 176.094 -0.130 0.000 1.051 235 V CA 1.778 64.059 62.300 -0.032 0.000 1.036 235 V CB -0.385 31.458 31.823 0.033 0.000 0.654 235 V HN 0.344 nan 8.190 nan 0.000 0.451 236 E N -0.308 119.789 120.200 -0.172 0.000 2.058 236 E HA -0.270 4.093 4.350 0.020 0.000 0.194 236 E C 2.343 178.492 176.600 -0.753 0.000 0.997 236 E CA 1.447 57.596 56.400 -0.419 0.000 0.801 236 E CB -0.182 29.333 29.700 -0.307 0.000 0.746 236 E HN 0.608 nan 8.360 nan 0.000 0.450 237 E N 0.547 120.528 120.200 -0.366 0.000 2.085 237 E HA -0.212 4.150 4.350 0.020 0.000 0.194 237 E C 2.171 178.700 176.600 -0.119 0.000 0.994 237 E CA 1.553 57.862 56.400 -0.152 0.000 0.801 237 E CB -0.001 29.742 29.700 0.071 0.000 0.743 237 E HN 0.233 nan 8.360 nan 0.000 0.453 238 S N 0.326 115.959 115.700 -0.112 0.000 2.399 238 S HA -0.148 4.334 4.470 0.020 0.000 0.231 238 S C 2.069 176.621 174.600 -0.080 0.000 1.022 238 S CA 1.023 59.187 58.200 -0.061 0.000 0.983 238 S CB -0.536 62.637 63.200 -0.045 0.000 0.803 238 S HN 0.293 nan 8.310 nan 0.000 0.480 239 I N 0.082 120.545 120.570 -0.179 0.000 2.202 239 I HA -0.123 4.060 4.170 0.020 0.000 0.242 239 I C 2.320 178.414 176.117 -0.038 0.000 1.091 239 I CA 1.301 62.514 61.300 -0.145 0.000 1.368 239 I CB -0.526 37.343 38.000 -0.219 0.000 1.058 239 I HN 0.228 nan 8.210 nan 0.000 0.410 240 Y N 0.976 121.275 120.300 -0.002 0.000 2.181 240 Y HA -0.213 4.350 4.550 0.021 0.000 0.288 240 Y C 2.661 178.567 175.900 0.010 0.000 1.146 240 Y CA 0.651 58.753 58.100 0.002 0.000 1.164 240 Y CB -1.078 37.397 38.460 0.025 0.000 0.982 240 Y HN 0.214 nan 8.280 nan 0.000 0.515 241 Q N -1.095 118.801 119.800 0.160 0.000 2.364 241 Q HA -0.131 4.221 4.340 0.020 0.000 0.207 241 Q C 2.319 178.355 176.000 0.059 0.000 0.970 241 Q CA 0.909 56.771 55.803 0.098 0.000 0.888 241 Q CB -0.818 27.961 28.738 0.069 0.000 0.951 241 Q HN 0.516 nan 8.270 nan 0.000 0.469 242 C N 0.143 119.471 119.300 0.045 0.000 2.432 242 C HA -0.037 4.435 4.460 0.020 0.000 0.282 242 C C 1.527 176.534 174.990 0.028 0.000 1.388 242 C CA -0.663 58.370 59.018 0.024 0.000 1.777 242 C CB -0.689 27.055 27.740 0.006 0.000 1.882 242 C HN 0.405 nan 8.230 nan 0.000 0.520 243 C N 1.831 121.158 119.300 0.045 0.000 2.689 243 C HA 0.098 4.571 4.460 0.020 0.000 0.409 243 C C 0.618 175.628 174.990 0.033 0.000 1.293 243 C CA -0.307 58.732 59.018 0.036 0.000 2.136 243 C CB -0.196 27.572 27.740 0.046 0.000 2.719 243 C HN 0.494 nan 8.230 nan 0.000 0.644 244 D N 2.199 122.613 120.400 0.023 0.000 2.359 244 D HA 0.355 5.007 4.640 0.020 0.000 0.250 244 D C -0.535 175.782 176.300 0.029 0.000 1.264 244 D CA 0.411 54.425 54.000 0.023 0.000 0.911 244 D CB 0.030 40.839 40.800 0.015 0.000 1.056 244 D HN 0.387 nan 8.370 nan 0.000 0.499 245 L N 1.858 123.103 121.223 0.037 0.000 2.323 245 L HA 0.654 5.006 4.340 0.020 0.000 0.265 245 L C 0.454 177.353 176.870 0.048 0.000 1.012 245 L CA -1.409 53.459 54.840 0.047 0.000 0.820 245 L CB 1.715 43.810 42.059 0.059 0.000 1.334 245 L HN 0.261 nan 8.230 nan 0.000 0.427 246 A N 1.331 124.186 122.820 0.058 0.000 2.425 246 A HA 0.417 4.749 4.320 0.020 0.000 0.249 246 A C -1.832 175.793 177.584 0.068 0.000 1.084 246 A CA -1.066 51.007 52.037 0.060 0.000 0.781 246 A CB 0.089 19.132 19.000 0.070 0.000 1.019 246 A HN 0.617 nan 8.150 nan 0.000 0.490 247 P HA -0.224 nan 4.420 nan 0.000 0.216 247 P C 1.283 178.618 177.300 0.059 0.000 1.157 247 P CA 1.843 64.972 63.100 0.048 0.000 0.880 247 P CB 0.241 31.963 31.700 0.038 0.000 0.791 248 E N -1.000 119.258 120.200 0.097 0.000 2.077 248 E HA -0.173 4.190 4.350 0.020 0.000 0.193 248 E C 2.012 178.706 176.600 0.155 0.000 0.989 248 E CA 1.054 57.539 56.400 0.141 0.000 0.800 248 E CB -0.454 29.405 29.700 0.266 0.000 0.746 248 E HN 0.084 nan 8.360 nan 0.000 0.452 249 A N 1.126 124.058 122.820 0.186 0.000 1.902 249 A HA -0.190 4.142 4.320 0.020 0.000 0.217 249 A C 2.063 179.704 177.584 0.095 0.000 1.181 249 A CA 1.315 53.465 52.037 0.188 0.000 0.623 249 A CB -0.390 18.706 19.000 0.160 0.000 0.818 249 A HN 0.137 nan 8.150 nan 0.000 0.443 250 R N -1.134 119.408 120.500 0.068 0.000 2.081 250 R HA -0.185 4.168 4.340 0.020 0.000 0.235 250 R C 2.510 178.816 176.300 0.011 0.000 1.131 250 R CA 1.713 57.841 56.100 0.047 0.000 0.960 250 R CB -0.297 30.027 30.300 0.040 0.000 0.856 250 R HN 0.650 nan 8.270 nan 0.000 0.436 251 Q N 0.699 120.486 119.800 -0.021 0.000 2.084 251 Q HA -0.095 4.257 4.340 0.020 0.000 0.202 251 Q C 1.925 177.839 176.000 -0.144 0.000 0.978 251 Q CA 2.016 57.774 55.803 -0.076 0.000 0.844 251 Q CB -0.209 28.472 28.738 -0.095 0.000 0.898 251 Q HN 0.336 nan 8.270 nan 0.000 0.426 252 A N 0.159 122.854 122.820 -0.208 0.000 1.898 252 A HA -0.124 4.208 4.320 0.020 0.000 0.216 252 A C 2.143 179.641 177.584 -0.143 0.000 1.181 252 A CA 1.465 53.302 52.037 -0.334 0.000 0.620 252 A CB -0.752 17.910 19.000 -0.564 0.000 0.819 252 A HN 0.481 nan 8.150 nan 0.000 0.442 253 I N -0.344 120.213 120.570 -0.022 0.000 2.226 253 I HA -0.283 3.899 4.170 0.020 0.000 0.245 253 I C 2.561 178.709 176.117 0.053 0.000 1.100 253 I CA 1.907 63.245 61.300 0.063 0.000 1.374 253 I CB -0.222 37.850 38.000 0.120 0.000 1.057 253 I HN 0.414 nan 8.210 nan 0.000 0.413 254 K N 0.468 120.877 120.400 0.017 0.000 2.057 254 K HA -0.209 4.123 4.320 0.020 0.000 0.207 254 K C 2.348 178.924 176.600 -0.039 0.000 1.049 254 K CA 1.856 58.148 56.287 0.008 0.000 0.931 254 K CB -0.109 32.387 32.500 -0.007 0.000 0.714 254 K HN 0.115 nan 8.250 nan 0.000 0.440 255 S N 0.666 116.309 115.700 -0.094 0.000 2.368 255 S HA -0.056 4.426 4.470 0.020 0.000 0.224 255 S C 1.955 176.456 174.600 -0.165 0.000 1.029 255 S CA 0.968 59.091 58.200 -0.128 0.000 0.988 255 S CB -0.212 62.882 63.200 -0.177 0.000 0.838 255 S HN 0.345 nan 8.310 nan 0.000 0.462 256 L N 0.736 121.830 121.223 -0.216 0.000 2.083 256 L HA -0.099 4.253 4.340 0.020 0.000 0.209 256 L C 2.734 179.296 176.870 -0.513 0.000 1.083 256 L CA 1.481 56.072 54.840 -0.416 0.000 0.752 256 L CB -0.957 40.810 42.059 -0.486 0.000 0.899 256 L HN 0.325 nan 8.230 nan 0.000 0.433 257 T N -0.985 113.459 114.554 -0.184 0.000 2.674 257 T HA -0.149 4.213 4.350 0.020 0.000 0.265 257 T C 1.784 176.484 174.700 0.001 0.000 1.039 257 T CA 1.202 63.331 62.100 0.047 0.000 1.150 257 T CB -0.094 68.881 68.868 0.179 0.000 0.864 257 T HN 0.280 nan 8.240 nan 0.000 0.427 258 E N 1.011 121.194 120.200 -0.028 0.000 2.152 258 E HA 0.004 4.366 4.350 0.020 0.000 0.192 258 E C 2.300 178.879 176.600 -0.034 0.000 0.983 258 E CA 0.854 57.244 56.400 -0.017 0.000 0.818 258 E CB -0.101 29.587 29.700 -0.020 0.000 0.758 258 E HN 0.465 nan 8.360 nan 0.000 0.467 259 R N -0.569 119.882 120.500 -0.082 0.000 2.237 259 R HA 0.131 4.484 4.340 0.020 0.000 0.195 259 R C 1.834 178.076 176.300 -0.097 0.000 0.956 259 R CA 0.238 56.292 56.100 -0.077 0.000 1.029 259 R CB 0.298 30.544 30.300 -0.090 0.000 0.972 259 R HN 0.037 nan 8.270 nan 0.000 0.493 260 L N -2.036 119.088 121.223 -0.164 0.000 2.691 260 L HA 0.190 4.542 4.340 0.020 0.000 0.185 260 L C 1.300 178.163 176.870 -0.011 0.000 1.081 260 L CA 0.767 55.519 54.840 -0.147 0.000 0.865 260 L CB -0.302 41.598 42.059 -0.266 0.000 1.370 260 L HN -0.132 nan 8.230 nan 0.000 0.488 261 Y N 1.527 121.846 120.300 0.031 0.000 2.181 261 Y HA -0.104 4.458 4.550 0.020 0.000 0.288 261 Y C 2.534 178.446 175.900 0.021 0.000 1.146 261 Y CA 1.555 59.682 58.100 0.044 0.000 1.164 261 Y CB -1.260 37.251 38.460 0.084 0.000 0.982 261 Y HN 0.400 nan 8.280 nan 0.000 0.515 262 I N -2.599 118.063 120.570 0.153 0.000 2.676 262 I HA 0.339 4.521 4.170 0.020 0.000 0.259 262 I C 1.105 177.239 176.117 0.028 0.000 1.194 262 I CA 1.040 62.389 61.300 0.081 0.000 1.473 262 I CB -0.373 37.664 38.000 0.062 0.000 1.096 262 I HN 0.121 nan 8.210 nan 0.000 0.443 263 G N -0.481 108.317 108.800 -0.003 0.000 2.359 263 G HA2 0.465 4.438 3.960 0.020 0.000 0.293 263 G HA3 0.465 4.438 3.960 0.020 0.000 0.293 263 G C -0.752 174.012 174.900 -0.227 0.000 1.300 263 G CA -0.292 44.745 45.100 -0.105 0.000 0.888 263 G HN 0.829 nan 8.290 nan 0.000 0.541 264 G N -1.050 107.351 108.800 -0.665 0.000 2.337 264 G HA2 0.679 4.652 3.960 0.020 0.000 0.298 264 G HA3 0.679 4.652 3.960 0.020 0.000 0.298 264 G C -3.434 170.770 174.900 -1.160 0.000 1.335 264 G CA 0.202 44.798 45.100 -0.841 0.000 0.875 264 G HN 0.884 nan 8.290 nan 0.000 0.579 265 P HA 0.424 nan 4.420 nan 0.000 0.271 265 P C -0.564 176.624 177.300 -0.188 0.000 1.218 265 P CA -0.039 62.896 63.100 -0.274 0.000 0.780 265 P CB 1.093 32.780 31.700 -0.023 0.000 0.901 266 L N 2.429 123.594 121.223 -0.097 0.000 2.325 266 L HA 0.421 4.773 4.340 0.020 0.000 0.281 266 L C 0.472 177.341 176.870 -0.002 0.000 1.004 266 L CA -0.259 54.555 54.840 -0.042 0.000 0.823 266 L CB 1.674 43.744 42.059 0.018 0.000 1.236 266 L HN 0.266 nan 8.230 nan 0.000 0.415 267 T N 1.471 116.003 114.554 -0.037 0.000 2.823 267 T HA 0.345 4.707 4.350 0.020 0.000 0.279 267 T C -0.136 174.543 174.700 -0.035 0.000 0.998 267 T CA -0.806 61.277 62.100 -0.029 0.000 0.994 267 T CB 1.435 70.270 68.868 -0.054 0.000 0.960 267 T HN 0.635 nan 8.240 nan 0.000 0.448 268 N N 0.644 119.340 118.700 -0.007 0.000 2.379 268 N HA 0.143 4.896 4.740 0.020 0.000 0.260 268 N C 1.462 176.958 175.510 -0.022 0.000 1.254 268 N CA -0.331 52.716 53.050 -0.006 0.000 0.958 268 N CB 0.139 38.633 38.487 0.011 0.000 1.208 268 N HN 0.452 nan 8.380 nan 0.000 0.532 269 S N -0.699 114.996 115.700 -0.009 0.000 2.419 269 S HA -0.177 4.306 4.470 0.020 0.000 0.235 269 S C 1.135 175.725 174.600 -0.017 0.000 1.019 269 S CA 0.875 59.069 58.200 -0.009 0.000 0.982 269 S CB -0.492 62.716 63.200 0.013 0.000 0.789 269 S HN 0.632 nan 8.310 nan 0.000 0.490 270 K N 0.767 121.160 120.400 -0.011 0.000 2.486 270 K HA 0.207 4.539 4.320 0.020 0.000 0.194 270 K C 1.289 177.879 176.600 -0.016 0.000 1.033 270 K CA 0.411 56.691 56.287 -0.011 0.000 1.004 270 K CB -0.299 32.199 32.500 -0.004 0.000 0.798 270 K HN 0.605 nan 8.250 nan 0.000 0.495 271 G N 1.679 110.465 108.800 -0.022 0.000 2.141 271 G HA2 -0.268 3.705 3.960 0.020 0.000 0.242 271 G HA3 -0.268 3.705 3.960 0.020 0.000 0.242 271 G C -0.301 174.594 174.900 -0.009 0.000 0.982 271 G CA -0.174 44.911 45.100 -0.025 0.000 0.662 271 G HN 0.337 nan 8.290 nan 0.000 0.527 272 Q N -0.233 119.568 119.800 0.002 0.000 2.230 272 Q HA 0.462 4.815 4.340 0.020 0.000 0.248 272 Q C 0.073 176.090 176.000 0.028 0.000 0.915 272 Q CA -0.787 55.025 55.803 0.016 0.000 0.900 272 Q CB 0.983 29.734 28.738 0.020 0.000 1.229 272 Q HN 0.236 nan 8.270 nan 0.000 0.439 273 N N 0.653 119.377 118.700 0.040 0.000 2.420 273 N HA 0.032 4.784 4.740 0.020 0.000 0.262 273 N C -0.349 175.214 175.510 0.090 0.000 1.144 273 N CA 0.024 53.108 53.050 0.057 0.000 0.952 273 N CB 0.476 38.999 38.487 0.059 0.000 1.081 273 N HN 0.577 nan 8.380 nan 0.000 0.480 274 C N 2.224 121.595 119.300 0.118 0.000 2.512 274 C HA 0.545 5.017 4.460 0.020 0.000 0.276 274 C C 1.279 176.447 174.990 0.298 0.000 1.368 274 C CA 0.631 59.776 59.018 0.212 0.000 1.755 274 C CB -1.309 26.582 27.740 0.252 0.000 2.008 274 C HN 0.906 nan 8.230 nan 0.000 0.511 275 G N -1.838 107.058 108.800 0.161 0.000 2.367 275 G HA2 0.354 4.326 3.960 0.020 0.000 0.272 275 G HA3 0.354 4.326 3.960 0.020 0.000 0.272 275 G C -2.242 172.675 174.900 0.029 0.000 1.271 275 G CA -0.402 44.737 45.100 0.064 0.000 0.893 275 G HN 0.015 nan 8.290 nan 0.000 0.485 276 Y N 0.590 120.768 120.300 -0.203 0.000 2.442 276 Y HA 0.759 5.321 4.550 0.021 0.000 0.344 276 Y C 0.094 175.867 175.900 -0.213 0.000 0.976 276 Y CA -0.886 57.120 58.100 -0.157 0.000 1.040 276 Y CB 2.034 40.418 38.460 -0.128 0.000 1.228 276 Y HN 0.677 nan 8.280 nan 0.000 0.451 277 R N 4.709 124.985 120.500 -0.373 0.000 2.460 277 R HA 0.556 4.908 4.340 0.020 0.000 0.303 277 R C -0.805 175.327 176.300 -0.281 0.000 0.968 277 R CA -0.600 55.277 56.100 -0.372 0.000 0.889 277 R CB 0.939 31.076 30.300 -0.271 0.000 1.123 277 R HN 0.909 nan 8.270 nan 0.000 0.455 278 R N 3.414 123.717 120.500 -0.329 0.000 2.698 278 R HA 0.223 4.575 4.340 0.020 0.000 0.422 278 R C -0.713 175.450 176.300 -0.228 0.000 1.073 278 R CA -0.308 55.689 56.100 -0.172 0.000 1.054 278 R CB 0.433 30.677 30.300 -0.093 0.000 1.373 278 R HN 0.817 nan 8.270 nan 0.000 0.593 279 C N -2.212 116.912 119.300 -0.293 0.000 3.275 279 C HA 0.598 5.070 4.460 0.020 0.000 0.373 279 C C -0.384 174.542 174.990 -0.108 0.000 1.934 279 C CA -1.476 57.411 59.018 -0.219 0.000 1.228 279 C CB 1.075 28.617 27.740 -0.331 0.000 2.317 279 C HN 0.370 nan 8.230 nan 0.000 0.437 280 R N 1.231 121.715 120.500 -0.026 0.000 2.522 280 R HA 0.495 4.847 4.340 0.020 0.000 0.284 280 R C 0.002 176.357 176.300 0.091 0.000 1.032 280 R CA 0.934 57.072 56.100 0.063 0.000 1.049 280 R CB 0.002 30.382 30.300 0.133 0.000 0.956 280 R HN 1.215 nan 8.270 nan 0.000 0.422 281 A N 3.527 126.416 122.820 0.116 0.000 2.320 281 A HA 0.249 4.581 4.320 0.020 0.000 0.287 281 A C 0.905 178.588 177.584 0.164 0.000 1.181 281 A CA -0.027 52.100 52.037 0.149 0.000 0.831 281 A CB 0.536 19.635 19.000 0.165 0.000 1.102 281 A HN 1.005 nan 8.150 nan 0.000 0.513 282 S N 2.072 117.885 115.700 0.187 0.000 2.515 282 S HA 0.060 4.542 4.470 0.020 0.000 0.231 282 S C 1.051 175.749 174.600 0.163 0.000 0.987 282 S CA 0.759 59.064 58.200 0.175 0.000 0.936 282 S CB 0.064 63.375 63.200 0.186 0.000 0.766 282 S HN 1.233 nan 8.310 nan 0.000 0.528 283 G N 1.818 110.737 108.800 0.198 0.000 4.644 283 G HA2 0.528 4.500 3.960 0.020 0.000 0.307 283 G HA3 0.528 4.500 3.960 0.020 0.000 0.307 283 G C -0.223 174.803 174.900 0.210 0.000 1.331 283 G CA -0.159 45.063 45.100 0.204 0.000 1.059 283 G HN 0.568 nan 8.290 nan 0.000 0.590 284 V N -2.408 117.609 119.914 0.172 0.000 3.074 284 V HA 0.576 4.708 4.120 0.020 0.000 0.314 284 V C 1.322 177.489 176.094 0.122 0.000 1.117 284 V CA -0.969 61.447 62.300 0.194 0.000 1.014 284 V CB 1.718 33.710 31.823 0.281 0.000 1.057 284 V HN 0.078 nan 8.190 nan 0.000 0.438 285 L N 2.435 123.746 121.223 0.147 0.000 2.079 285 L HA -0.072 4.280 4.340 0.020 0.000 0.210 285 L C 2.391 179.272 176.870 0.019 0.000 1.081 285 L CA 3.121 58.032 54.840 0.117 0.000 0.752 285 L CB -0.690 41.468 42.059 0.165 0.000 0.896 285 L HN 1.108 nan 8.230 nan 0.000 0.433 286 T N -5.961 108.518 114.554 -0.126 0.000 3.148 286 T HA -0.029 4.333 4.350 0.020 0.000 0.253 286 T C 1.618 176.250 174.700 -0.113 0.000 1.134 286 T CA 0.806 62.777 62.100 -0.215 0.000 1.051 286 T CB -0.750 67.802 68.868 -0.525 0.000 0.959 286 T HN 0.296 nan 8.240 nan 0.000 0.525 287 T N 2.104 116.627 114.554 -0.053 0.000 2.607 287 T HA -0.187 4.175 4.350 0.020 0.000 0.267 287 T C 2.194 176.909 174.700 0.026 0.000 1.049 287 T CA 1.869 63.978 62.100 0.016 0.000 1.162 287 T CB -0.788 68.115 68.868 0.057 0.000 0.863 287 T HN 0.541 nan 8.240 nan 0.000 0.424 288 S N -0.281 115.409 115.700 -0.016 0.000 2.348 288 S HA -0.170 4.312 4.470 0.020 0.000 0.221 288 S C 2.455 177.065 174.600 0.018 0.000 1.033 288 S CA 1.523 59.698 58.200 -0.042 0.000 1.010 288 S CB -0.986 62.079 63.200 -0.225 0.000 0.891 288 S HN 0.671 nan 8.310 nan 0.000 0.442 289 C N 1.244 120.535 119.300 -0.015 0.000 2.413 289 C HA 0.057 4.529 4.460 0.020 0.000 0.276 289 C C 2.837 177.886 174.990 0.098 0.000 1.236 289 C CA 1.181 60.217 59.018 0.030 0.000 1.735 289 C CB -1.827 25.901 27.740 -0.020 0.000 2.031 289 C HN 0.723 nan 8.230 nan 0.000 0.474 290 G N 0.411 109.276 108.800 0.109 0.000 2.421 290 G HA2 -0.226 3.746 3.960 0.020 0.000 0.216 290 G HA3 -0.226 3.746 3.960 0.020 0.000 0.216 290 G C 1.514 176.513 174.900 0.165 0.000 1.171 290 G CA 1.125 46.304 45.100 0.131 0.000 0.775 290 G HN 0.592 nan 8.290 nan 0.000 0.543 291 N N 0.382 119.182 118.700 0.166 0.000 2.120 291 N HA -0.077 4.675 4.740 0.020 0.000 0.188 291 N C 2.423 177.985 175.510 0.087 0.000 1.024 291 N CA 1.645 54.801 53.050 0.177 0.000 0.852 291 N CB -0.749 37.738 38.487 -0.001 0.000 1.003 291 N HN 0.257 nan 8.380 nan 0.000 0.424 292 T N 1.715 116.332 114.554 0.105 0.000 2.708 292 T HA -0.008 4.354 4.350 0.020 0.000 0.266 292 T C 2.145 176.945 174.700 0.166 0.000 1.037 292 T CA 0.670 62.855 62.100 0.142 0.000 1.146 292 T CB -0.347 68.679 68.868 0.262 0.000 0.865 292 T HN 0.120 nan 8.240 nan 0.000 0.435 293 L N 0.674 121.973 121.223 0.127 0.000 2.012 293 L HA -0.148 4.204 4.340 0.020 0.000 0.210 293 L C 2.955 179.932 176.870 0.178 0.000 1.073 293 L CA 1.341 56.241 54.840 0.100 0.000 0.748 293 L CB -1.032 41.042 42.059 0.026 0.000 0.891 293 L HN 0.305 nan 8.230 nan 0.000 0.431 294 T N -1.408 113.268 114.554 0.204 0.000 2.746 294 T HA -0.241 4.121 4.350 0.020 0.000 0.267 294 T C 2.003 176.904 174.700 0.335 0.000 1.039 294 T CA 1.482 63.735 62.100 0.255 0.000 1.142 294 T CB -0.479 68.581 68.868 0.320 0.000 0.866 294 T HN 0.470 nan 8.240 nan 0.000 0.444 295 C N 0.635 120.181 119.300 0.410 0.000 2.429 295 C HA -0.091 4.381 4.460 0.020 0.000 0.277 295 C C 2.390 177.539 174.990 0.265 0.000 1.262 295 C CA 0.551 59.800 59.018 0.385 0.000 1.733 295 C CB -1.416 26.437 27.740 0.188 0.000 2.010 295 C HN 0.653 nan 8.230 nan 0.000 0.483 296 Y N 1.030 121.396 120.300 0.110 0.000 2.145 296 Y HA -0.144 4.418 4.550 0.021 0.000 0.286 296 Y C 2.190 178.104 175.900 0.023 0.000 1.145 296 Y CA 2.165 60.304 58.100 0.066 0.000 1.148 296 Y CB -0.628 37.859 38.460 0.045 0.000 0.981 296 Y HN 0.334 nan 8.280 nan 0.000 0.507 297 L N 1.168 122.451 121.223 0.100 0.000 1.970 297 L HA -0.224 4.128 4.340 0.020 0.000 0.212 297 L C 2.155 178.900 176.870 -0.208 0.000 1.071 297 L CA 2.114 56.883 54.840 -0.119 0.000 0.751 297 L CB -0.936 41.041 42.059 -0.136 0.000 0.889 297 L HN 0.183 nan 8.230 nan 0.000 0.432 298 K N -0.497 119.865 120.400 -0.064 0.000 2.057 298 K HA -0.104 4.228 4.320 0.020 0.000 0.207 298 K C 2.070 178.661 176.600 -0.015 0.000 1.049 298 K CA 1.408 57.670 56.287 -0.043 0.000 0.931 298 K CB -0.467 32.118 32.500 0.142 0.000 0.714 298 K HN 0.502 nan 8.250 nan 0.000 0.440 299 A N 1.168 123.982 122.820 -0.009 0.000 1.898 299 A HA -0.132 4.201 4.320 0.020 0.000 0.216 299 A C 2.235 179.814 177.584 -0.007 0.000 1.181 299 A CA 1.716 53.761 52.037 0.013 0.000 0.620 299 A CB -0.489 18.602 19.000 0.153 0.000 0.819 299 A HN 0.168 nan 8.150 nan 0.000 0.442 300 S N -0.045 115.541 115.700 -0.190 0.000 2.368 300 S HA -0.057 4.425 4.470 0.020 0.000 0.225 300 S C 2.289 176.817 174.600 -0.119 0.000 1.030 300 S CA 1.210 59.266 58.200 -0.240 0.000 0.999 300 S CB -0.435 62.458 63.200 -0.512 0.000 0.844 300 S HN 0.790 nan 8.310 nan 0.000 0.459 301 A N 1.519 124.273 122.820 -0.110 0.000 1.898 301 A HA 0.164 4.496 4.320 0.020 0.000 0.216 301 A C 2.354 179.983 177.584 0.075 0.000 1.181 301 A CA 1.609 53.645 52.037 -0.002 0.000 0.620 301 A CB -1.051 17.907 19.000 -0.070 0.000 0.819 301 A HN 0.509 nan 8.150 nan 0.000 0.442 302 A N -1.048 121.819 122.820 0.078 0.000 1.933 302 A HA -0.166 4.167 4.320 0.020 0.000 0.218 302 A C 2.263 179.856 177.584 0.015 0.000 1.175 302 A CA 1.626 53.593 52.037 -0.116 0.000 0.628 302 A CB -1.267 17.289 19.000 -0.741 0.000 0.814 302 A HN 0.587 nan 8.150 nan 0.000 0.444 303 C N -0.897 118.502 119.300 0.164 0.000 2.425 303 C HA -0.086 4.386 4.460 0.020 0.000 0.277 303 C C 2.894 177.897 174.990 0.023 0.000 1.280 303 C CA 1.137 60.289 59.018 0.223 0.000 1.744 303 C CB -1.299 26.537 27.740 0.159 0.000 1.989 303 C HN 0.598 nan 8.230 nan 0.000 0.491 304 R N 0.846 121.271 120.500 -0.125 0.000 2.073 304 R HA -0.032 4.320 4.340 0.020 0.000 0.229 304 R C 2.432 178.439 176.300 -0.488 0.000 1.120 304 R CA 1.412 57.319 56.100 -0.323 0.000 0.967 304 R CB -0.492 29.532 30.300 -0.460 0.000 0.862 304 R HN 0.517 nan 8.270 nan 0.000 0.436 305 A N 1.454 123.992 122.820 -0.469 0.000 1.902 305 A HA -0.108 4.224 4.320 0.020 0.000 0.217 305 A C 2.265 179.811 177.584 -0.063 0.000 1.181 305 A CA 1.778 53.685 52.037 -0.216 0.000 0.623 305 A CB -0.519 18.455 19.000 -0.042 0.000 0.818 305 A HN 0.386 nan 8.150 nan 0.000 0.443 306 A N -1.471 121.341 122.820 -0.014 0.000 2.206 306 A HA 0.224 4.556 4.320 0.020 0.000 0.211 306 A C 1.015 178.613 177.584 0.022 0.000 1.158 306 A CA 0.899 52.960 52.037 0.040 0.000 0.761 306 A CB -0.432 18.650 19.000 0.137 0.000 0.801 306 A HN 0.514 nan 8.150 nan 0.000 0.473 307 K N -1.445 118.950 120.400 -0.008 0.000 3.125 307 K HA -0.153 4.179 4.320 0.020 0.000 0.268 307 K C -1.028 175.579 176.600 0.012 0.000 1.078 307 K CA 0.173 56.457 56.287 -0.004 0.000 0.775 307 K CB -1.855 30.649 32.500 0.006 0.000 1.253 307 K HN 0.315 nan 8.250 nan 0.000 0.486 308 L N 1.776 123.016 121.223 0.028 0.000 2.453 308 L HA 0.029 4.381 4.340 0.020 0.000 0.272 308 L C 0.958 177.836 176.870 0.013 0.000 1.182 308 L CA 0.850 55.710 54.840 0.034 0.000 0.858 308 L CB 0.578 42.678 42.059 0.069 0.000 1.120 308 L HN 0.087 nan 8.230 nan 0.000 0.474 309 Q N 2.183 121.985 119.800 0.003 0.000 2.256 309 Q HA 0.121 4.474 4.340 0.020 0.000 0.254 309 Q C -0.062 175.925 176.000 -0.022 0.000 0.916 309 Q CA -0.448 55.350 55.803 -0.009 0.000 0.932 309 Q CB 0.712 29.441 28.738 -0.014 0.000 1.207 309 Q HN 0.550 nan 8.270 nan 0.000 0.426 310 D N 0.733 121.121 120.400 -0.020 0.000 2.803 310 D HA -0.201 4.451 4.640 0.020 0.000 0.233 310 D C -1.088 175.191 176.300 -0.035 0.000 1.182 310 D CA 0.278 54.261 54.000 -0.028 0.000 0.726 310 D CB -0.705 40.069 40.800 -0.043 0.000 0.987 310 D HN 0.530 nan 8.370 nan 0.000 0.412 311 C N 1.577 120.866 119.300 -0.019 0.000 2.585 311 C HA 0.550 5.022 4.460 0.020 0.000 0.406 311 C C 0.573 175.556 174.990 -0.011 0.000 1.312 311 C CA 0.077 59.082 59.018 -0.021 0.000 1.924 311 C CB 0.074 27.813 27.740 -0.002 0.000 2.578 311 C HN 0.512 nan 8.230 nan 0.000 0.580 312 T N 7.228 121.764 114.554 -0.031 0.000 2.812 312 T HA 0.506 4.868 4.350 0.020 0.000 0.282 312 T C -0.473 174.237 174.700 0.016 0.000 0.990 312 T CA -0.204 61.905 62.100 0.015 0.000 0.960 312 T CB 1.115 69.960 68.868 -0.037 0.000 0.948 312 T HN 0.615 nan 8.240 nan 0.000 0.438 313 M N 3.057 122.718 119.600 0.101 0.000 2.598 313 M HA 0.675 5.168 4.480 0.020 0.000 0.317 313 M C -1.391 175.026 176.300 0.195 0.000 1.179 313 M CA -1.114 54.239 55.300 0.090 0.000 0.936 313 M CB 2.187 34.836 32.600 0.080 0.000 1.713 313 M HN 0.329 nan 8.290 nan 0.000 0.460 314 L N 2.757 124.057 121.223 0.128 0.000 2.441 314 L HA 0.684 5.037 4.340 0.020 0.000 0.270 314 L C -1.649 175.241 176.870 0.033 0.000 0.973 314 L CA -0.457 54.458 54.840 0.124 0.000 0.842 314 L CB 1.822 43.968 42.059 0.145 0.000 1.239 314 L HN 0.489 nan 8.230 nan 0.000 0.406 315 V N 4.126 124.048 119.914 0.013 0.000 2.540 315 V HA 0.624 4.756 4.120 0.020 0.000 0.302 315 V C -0.739 175.218 176.094 -0.228 0.000 1.035 315 V CA -0.633 61.651 62.300 -0.027 0.000 0.873 315 V CB 2.024 33.919 31.823 0.120 0.000 0.992 315 V HN 0.795 nan 8.190 nan 0.000 0.428 316 N N 3.254 121.777 118.700 -0.295 0.000 2.577 316 N HA 0.622 5.375 4.740 0.020 0.000 0.275 316 N C 0.483 175.907 175.510 -0.143 0.000 1.091 316 N CA 0.548 53.237 53.050 -0.601 0.000 0.843 316 N CB 1.768 39.780 38.487 -0.793 0.000 1.295 316 N HN 1.115 nan 8.380 nan 0.000 0.530 317 G N 2.337 111.191 108.800 0.089 0.000 2.591 317 G HA2 -0.383 3.589 3.960 0.020 0.000 0.298 317 G HA3 -0.383 3.589 3.960 0.020 0.000 0.298 317 G C 0.432 175.188 174.900 -0.241 0.000 1.195 317 G CA 0.708 45.817 45.100 0.015 0.000 0.989 317 G HN 0.639 nan 8.290 nan 0.000 0.551 318 D N 1.585 121.754 120.400 -0.385 0.000 2.340 318 D HA 0.167 4.819 4.640 0.020 0.000 0.220 318 D C 0.175 176.388 176.300 -0.144 0.000 1.039 318 D CA 0.757 54.399 54.000 -0.597 0.000 0.866 318 D CB -0.237 40.181 40.800 -0.637 0.000 0.913 318 D HN 0.434 nan 8.370 nan 0.000 0.523 319 D N 0.438 120.791 120.400 -0.077 0.000 2.249 319 D HA 0.443 5.095 4.640 0.020 0.000 0.246 319 D C -0.738 175.566 176.300 0.007 0.000 1.114 319 D CA -0.428 53.567 54.000 -0.008 0.000 0.854 319 D CB 1.608 42.394 40.800 -0.023 0.000 1.132 319 D HN 0.060 nan 8.370 nan 0.000 0.461 320 L N 3.104 124.370 121.223 0.072 0.000 2.408 320 L HA 0.668 5.021 4.340 0.020 0.000 0.268 320 L C -1.775 175.100 176.870 0.007 0.000 0.986 320 L CA -0.682 54.202 54.840 0.072 0.000 0.820 320 L CB 2.020 44.190 42.059 0.186 0.000 1.303 320 L HN 0.232 nan 8.230 nan 0.000 0.411 321 V N 5.081 124.952 119.914 -0.070 0.000 2.638 321 V HA 0.686 4.818 4.120 0.020 0.000 0.306 321 V C -0.859 175.067 176.094 -0.281 0.000 1.052 321 V CA -0.620 61.576 62.300 -0.175 0.000 0.885 321 V CB 2.155 33.913 31.823 -0.109 0.000 0.999 321 V HN 0.564 nan 8.190 nan 0.000 0.424 322 V N 5.986 125.548 119.914 -0.588 0.000 2.588 322 V HA 0.583 4.716 4.120 0.020 0.000 0.304 322 V C -0.511 175.316 176.094 -0.445 0.000 1.042 322 V CA -0.424 61.508 62.300 -0.612 0.000 0.877 322 V CB 1.988 33.163 31.823 -1.081 0.000 0.996 322 V HN 0.696 nan 8.190 nan 0.000 0.425 323 I N 4.990 125.430 120.570 -0.217 0.000 2.436 323 I HA 0.708 4.890 4.170 0.020 0.000 0.289 323 I C -0.047 175.988 176.117 -0.137 0.000 1.010 323 I CA -0.327 60.902 61.300 -0.118 0.000 1.098 323 I CB 1.761 39.735 38.000 -0.042 0.000 1.266 323 I HN 0.908 nan 8.210 nan 0.000 0.434 324 C N 2.581 121.798 119.300 -0.139 0.000 3.311 324 C HA 0.578 5.051 4.460 0.020 0.000 0.366 324 C C -0.759 174.143 174.990 -0.148 0.000 1.694 324 C CA -0.845 58.105 59.018 -0.113 0.000 1.244 324 C CB 1.877 29.594 27.740 -0.039 0.000 2.038 324 C HN 0.613 nan 8.230 nan 0.000 0.436 325 E N 1.859 121.999 120.200 -0.099 0.000 2.167 325 E HA 0.340 4.703 4.350 0.020 0.000 0.284 325 E C -0.068 176.503 176.600 -0.048 0.000 1.016 325 E CA 0.440 56.782 56.400 -0.097 0.000 0.817 325 E CB 1.788 31.444 29.700 -0.074 0.000 1.080 325 E HN 0.709 nan 8.360 nan 0.000 0.397 326 S N 1.897 117.577 115.700 -0.034 0.000 2.562 326 S HA 0.226 4.708 4.470 0.020 0.000 0.281 326 S C 0.604 175.212 174.600 0.013 0.000 1.333 326 S CA 0.185 58.409 58.200 0.040 0.000 1.052 326 S CB 0.610 63.875 63.200 0.109 0.000 0.884 326 S HN 0.533 nan 8.310 nan 0.000 0.506 327 A N 3.311 126.147 122.820 0.027 0.000 2.503 327 A HA 0.653 4.985 4.320 0.020 0.000 0.263 327 A C 0.877 178.464 177.584 0.005 0.000 1.258 327 A CA 0.265 52.306 52.037 0.008 0.000 0.936 327 A CB -0.753 18.253 19.000 0.009 0.000 1.070 327 A HN 1.869 nan 8.150 nan 0.000 0.522 328 G N -1.397 107.408 108.800 0.010 0.000 2.525 328 G HA2 0.141 4.113 3.960 0.020 0.000 0.685 328 G HA3 0.141 4.113 3.960 0.020 0.000 0.685 328 G C 0.507 175.415 174.900 0.015 0.000 1.285 328 G CA 0.205 45.296 45.100 -0.015 0.000 0.849 328 G HN 0.979 nan 8.290 nan 0.000 0.653 329 T N -1.394 113.145 114.554 -0.026 0.000 2.684 329 T HA -0.204 4.158 4.350 0.020 0.000 0.267 329 T C 2.036 176.770 174.700 0.057 0.000 1.036 329 T CA 2.368 64.484 62.100 0.027 0.000 1.148 329 T CB -0.328 68.514 68.868 -0.043 0.000 0.863 329 T HN 0.662 nan 8.240 nan 0.000 0.436 330 Q N 0.668 120.481 119.800 0.022 0.000 2.079 330 Q HA -0.079 4.273 4.340 0.020 0.000 0.200 330 Q C 2.537 178.548 176.000 0.019 0.000 0.974 330 Q CA 1.559 57.373 55.803 0.019 0.000 0.840 330 Q CB -0.136 28.605 28.738 0.006 0.000 0.898 330 Q HN 0.611 nan 8.270 nan 0.000 0.430 331 E N 0.734 120.944 120.200 0.018 0.000 2.077 331 E HA -0.174 4.188 4.350 0.020 0.000 0.193 331 E C 1.515 178.126 176.600 0.018 0.000 0.989 331 E CA 1.261 57.669 56.400 0.014 0.000 0.800 331 E CB -0.046 29.661 29.700 0.011 0.000 0.746 331 E HN 0.279 nan 8.360 nan 0.000 0.452 332 D N 0.113 120.539 120.400 0.043 0.000 2.117 332 D HA -0.120 4.532 4.640 0.020 0.000 0.197 332 D C 1.858 178.151 176.300 -0.012 0.000 0.987 332 D CA 1.484 55.506 54.000 0.037 0.000 0.829 332 D CB -0.399 40.480 40.800 0.132 0.000 0.961 332 D HN 0.206 nan 8.370 nan 0.000 0.460 333 A N 1.019 123.846 122.820 0.012 0.000 1.908 333 A HA -0.082 4.250 4.320 0.020 0.000 0.218 333 A C 2.306 179.873 177.584 -0.029 0.000 1.181 333 A CA 2.361 54.390 52.037 -0.014 0.000 0.627 333 A CB -0.724 18.284 19.000 0.013 0.000 0.818 333 A HN 0.245 nan 8.150 nan 0.000 0.445 334 A N -0.801 122.010 122.820 -0.014 0.000 1.930 334 A HA -0.022 4.311 4.320 0.020 0.000 0.217 334 A C 2.424 179.997 177.584 -0.019 0.000 1.175 334 A CA 1.904 53.934 52.037 -0.012 0.000 0.627 334 A CB -0.815 18.183 19.000 -0.003 0.000 0.815 334 A HN 0.440 nan 8.150 nan 0.000 0.443 335 S N -0.208 115.476 115.700 -0.026 0.000 2.370 335 S HA -0.106 4.376 4.470 0.020 0.000 0.226 335 S C 1.825 176.394 174.600 -0.051 0.000 1.033 335 S CA 1.354 59.538 58.200 -0.025 0.000 1.011 335 S CB -0.406 62.778 63.200 -0.027 0.000 0.852 335 S HN 0.512 nan 8.310 nan 0.000 0.457 336 L N 0.868 122.005 121.223 -0.143 0.000 2.093 336 L HA -0.082 4.271 4.340 0.020 0.000 0.208 336 L C 2.691 179.535 176.870 -0.042 0.000 1.085 336 L CA 1.130 55.826 54.840 -0.241 0.000 0.755 336 L CB -0.273 41.552 42.059 -0.391 0.000 0.904 336 L HN 0.255 nan 8.230 nan 0.000 0.435 337 R N -1.001 119.484 120.500 -0.025 0.000 2.096 337 R HA -0.134 4.218 4.340 0.020 0.000 0.235 337 R C 2.113 178.427 176.300 0.023 0.000 1.127 337 R CA 1.230 57.336 56.100 0.009 0.000 0.968 337 R CB -0.376 29.922 30.300 -0.003 0.000 0.861 337 R HN 0.226 nan 8.270 nan 0.000 0.440 338 V N 0.598 120.524 119.914 0.020 0.000 2.453 338 V HA -0.215 3.917 4.120 0.020 0.000 0.247 338 V C 1.867 177.971 176.094 0.018 0.000 1.048 338 V CA 1.490 63.796 62.300 0.010 0.000 1.049 338 V CB -0.520 31.311 31.823 0.013 0.000 0.672 338 V HN 0.215 nan 8.190 nan 0.000 0.457 339 F N 1.486 121.377 119.950 -0.098 0.000 2.102 339 F HA -0.210 4.329 4.527 0.020 0.000 0.298 339 F C 2.412 178.139 175.800 -0.122 0.000 1.105 339 F CA 2.266 60.201 58.000 -0.108 0.000 1.239 339 F CB -0.448 38.471 39.000 -0.135 0.000 0.991 339 F HN 0.105 nan 8.300 nan 0.000 0.474 340 T N 0.011 114.642 114.554 0.130 0.000 2.746 340 T HA -0.187 4.175 4.350 0.020 0.000 0.267 340 T C 1.690 176.363 174.700 -0.045 0.000 1.039 340 T CA 1.751 63.920 62.100 0.114 0.000 1.142 340 T CB -0.338 68.670 68.868 0.233 0.000 0.866 340 T HN 0.369 nan 8.240 nan 0.000 0.444 341 E N 0.962 121.122 120.200 -0.066 0.000 2.077 341 E HA -0.076 4.286 4.350 0.020 0.000 0.193 341 E C 2.506 178.968 176.600 -0.230 0.000 0.989 341 E CA 1.043 57.378 56.400 -0.109 0.000 0.800 341 E CB -0.211 29.440 29.700 -0.080 0.000 0.746 341 E HN 0.482 nan 8.360 nan 0.000 0.452 342 A N 0.996 123.627 122.820 -0.316 0.000 1.873 342 A HA -0.179 4.153 4.320 0.020 0.000 0.215 342 A C 2.137 179.253 177.584 -0.780 0.000 1.186 342 A CA 1.223 52.926 52.037 -0.556 0.000 0.616 342 A CB -0.310 18.431 19.000 -0.431 0.000 0.823 342 A HN 0.120 nan 8.150 nan 0.000 0.442 343 M N -0.124 119.147 119.600 -0.548 0.000 2.149 343 M HA -0.120 4.372 4.480 0.020 0.000 0.261 343 M C 2.165 178.366 176.300 -0.165 0.000 1.064 343 M CA 2.030 57.129 55.300 -0.334 0.000 1.102 343 M CB -1.917 30.412 32.600 -0.452 0.000 1.369 343 M HN 0.461 nan 8.290 nan 0.000 0.408 344 T N 0.018 114.480 114.554 -0.154 0.000 2.746 344 T HA -0.105 4.257 4.350 0.020 0.000 0.267 344 T C 1.962 176.583 174.700 -0.132 0.000 1.039 344 T CA 1.049 63.100 62.100 -0.082 0.000 1.142 344 T CB -0.183 68.649 68.868 -0.060 0.000 0.866 344 T HN 0.378 nan 8.240 nan 0.000 0.444 345 R N 0.112 120.455 120.500 -0.263 0.000 2.127 345 R HA -0.078 4.275 4.340 0.020 0.000 0.238 345 R C 1.712 177.917 176.300 -0.159 0.000 1.134 345 R CA 1.187 57.134 56.100 -0.256 0.000 0.975 345 R CB -0.325 29.746 30.300 -0.383 0.000 0.865 345 R HN 0.461 nan 8.270 nan 0.000 0.447 346 Y N -0.072 120.182 120.300 -0.077 0.000 2.529 346 Y HA 0.099 4.661 4.550 0.020 0.000 0.290 346 Y C 0.862 176.723 175.900 -0.065 0.000 1.177 346 Y CA -0.279 57.769 58.100 -0.086 0.000 1.305 346 Y CB -0.131 38.307 38.460 -0.038 0.000 1.047 346 Y HN -0.048 nan 8.280 nan 0.000 0.522 347 S N -0.161 115.577 115.700 0.064 0.000 4.044 347 S HA -0.058 4.425 4.470 0.020 0.000 0.371 347 S C -0.063 174.557 174.600 0.032 0.000 0.977 347 S CA 0.448 58.670 58.200 0.038 0.000 1.092 347 S CB -1.432 61.785 63.200 0.028 0.000 0.845 347 S HN 0.787 nan 8.310 nan 0.000 0.496 348 A N 1.700 124.558 122.820 0.063 0.000 3.448 348 A HA 0.543 4.876 4.320 0.020 0.000 0.232 348 A C -2.331 175.383 177.584 0.217 0.000 1.018 348 A CA -0.483 51.628 52.037 0.122 0.000 0.996 348 A CB 0.839 19.945 19.000 0.177 0.000 1.283 348 A HN 0.450 nan 8.150 nan 0.000 0.586 349 P HA 0.294 nan 4.420 nan 0.000 0.272 349 P C -2.907 174.458 177.300 0.108 0.000 1.230 349 P CA -0.890 62.279 63.100 0.115 0.000 0.788 349 P CB 0.712 32.405 31.700 -0.010 0.000 0.949 350 P HA 0.122 nan 4.420 nan 0.000 0.282 350 P C 0.756 177.984 177.300 -0.121 0.000 1.259 350 P CA -0.103 62.870 63.100 -0.211 0.000 0.826 350 P CB 0.994 32.488 31.700 -0.344 0.000 1.064 351 G N 1.306 110.028 108.800 -0.130 0.000 2.404 351 G HA2 -0.011 3.961 3.960 0.020 0.000 0.213 351 G HA3 -0.011 3.961 3.960 0.020 0.000 0.213 351 G C 0.048 174.908 174.900 -0.068 0.000 1.189 351 G CA 0.442 45.502 45.100 -0.068 0.000 0.796 351 G HN 0.478 nan 8.290 nan 0.000 0.532 352 D N 0.426 120.774 120.400 -0.086 0.000 2.350 352 D HA 0.400 5.053 4.640 0.020 0.000 0.245 352 D C -2.680 173.578 176.300 -0.069 0.000 1.036 352 D CA -1.228 52.736 54.000 -0.060 0.000 0.848 352 D CB 2.047 42.822 40.800 -0.042 0.000 1.307 352 D HN -0.072 nan 8.370 nan 0.000 0.469 353 P HA 0.137 nan 4.420 nan 0.000 0.265 353 P C -2.279 175.021 177.300 0.001 0.000 1.193 353 P CA -0.740 62.355 63.100 -0.007 0.000 0.765 353 P CB -0.084 31.617 31.700 0.001 0.000 0.823 354 P HA 0.119 nan 4.420 nan 0.000 0.275 354 P C -1.146 176.142 177.300 -0.020 0.000 1.228 354 P CA -0.239 62.896 63.100 0.058 0.000 0.786 354 P CB 0.905 32.717 31.700 0.186 0.000 0.927 355 Q N 1.763 121.560 119.800 -0.004 0.000 2.375 355 Q HA 0.626 4.978 4.340 0.020 0.000 0.271 355 Q C -2.921 173.050 176.000 -0.048 0.000 1.074 355 Q CA -2.634 53.146 55.803 -0.039 0.000 0.808 355 Q CB 1.472 30.203 28.738 -0.011 0.000 1.327 355 Q HN 0.202 nan 8.270 nan 0.000 0.441 356 P HA 0.064 nan 4.420 nan 0.000 0.268 356 P C -0.940 176.187 177.300 -0.289 0.000 1.204 356 P CA 0.203 63.179 63.100 -0.206 0.000 0.768 356 P CB 0.599 32.165 31.700 -0.222 0.000 0.842 357 E N 1.941 121.938 120.200 -0.339 0.000 2.266 357 E HA 0.244 4.607 4.350 0.020 0.000 0.268 357 E C -0.667 175.743 176.600 -0.316 0.000 0.879 357 E CA -0.409 55.848 56.400 -0.238 0.000 0.762 357 E CB 1.406 31.069 29.700 -0.062 0.000 1.199 357 E HN 0.414 nan 8.360 nan 0.000 0.422 358 Y N 0.115 120.556 120.300 0.236 0.000 2.696 358 Y HA 0.230 4.792 4.550 0.021 0.000 0.260 358 Y C -0.006 176.130 175.900 0.393 0.000 1.165 358 Y CA -0.446 57.865 58.100 0.351 0.000 1.189 358 Y CB 0.970 39.540 38.460 0.183 0.000 1.180 358 Y HN 0.223 nan 8.280 nan 0.000 0.538 359 D N 0.231 120.749 120.400 0.197 0.000 2.736 359 D HA 0.095 4.748 4.640 0.020 0.000 0.243 359 D C 0.539 176.485 176.300 -0.590 0.000 1.304 359 D CA -0.335 53.595 54.000 -0.117 0.000 0.934 359 D CB 1.685 42.465 40.800 -0.033 0.000 1.382 359 D HN 0.139 nan 8.370 nan 0.000 0.571 360 L N 4.318 124.754 121.223 -1.310 0.000 2.081 360 L HA -0.122 4.230 4.340 0.020 0.000 0.212 360 L C 1.638 178.159 176.870 -0.581 0.000 1.080 360 L CA 2.065 56.147 54.840 -1.263 0.000 0.754 360 L CB -0.291 40.933 42.059 -1.392 0.000 0.893 360 L HN 0.531 nan 8.230 nan 0.000 0.433 361 E N -0.803 119.149 120.200 -0.414 0.000 2.333 361 E HA -0.165 4.197 4.350 0.020 0.000 0.198 361 E C 1.944 178.439 176.600 -0.175 0.000 1.007 361 E CA 0.825 57.081 56.400 -0.239 0.000 0.845 361 E CB -0.175 29.430 29.700 -0.159 0.000 0.766 361 E HN 0.558 nan 8.360 nan 0.000 0.507 362 L N 0.739 121.854 121.223 -0.178 0.000 2.591 362 L HA 0.164 4.516 4.340 0.020 0.000 0.228 362 L C 0.650 177.461 176.870 -0.099 0.000 1.133 362 L CA -0.084 54.692 54.840 -0.107 0.000 0.880 362 L CB 0.175 42.192 42.059 -0.070 0.000 1.033 362 L HN 0.035 nan 8.230 nan 0.000 0.450 363 I N 0.287 120.772 120.570 -0.140 0.000 2.312 363 I HA 0.106 4.289 4.170 0.020 0.000 0.291 363 I C -0.041 176.029 176.117 -0.079 0.000 1.031 363 I CA 0.158 61.397 61.300 -0.101 0.000 1.293 363 I CB 1.268 39.190 38.000 -0.128 0.000 1.403 363 I HN -0.077 nan 8.210 nan 0.000 0.484 364 T N 4.616 119.145 114.554 -0.042 0.000 2.771 364 T HA 0.330 4.692 4.350 0.020 0.000 0.281 364 T C -0.071 174.625 174.700 -0.007 0.000 0.982 364 T CA -0.658 61.428 62.100 -0.024 0.000 0.978 364 T CB 1.043 69.902 68.868 -0.015 0.000 0.930 364 T HN 0.656 nan 8.240 nan 0.000 0.447 365 S N 1.420 117.120 115.700 0.000 0.000 2.669 365 S HA 0.364 4.846 4.470 0.020 0.000 0.315 365 S C 0.420 175.042 174.600 0.037 0.000 1.106 365 S CA -0.857 57.350 58.200 0.011 0.000 1.107 365 S CB 0.164 63.358 63.200 -0.010 0.000 0.990 365 S HN 1.071 nan 8.310 nan 0.000 0.471 366 C N 3.383 122.710 119.300 0.045 0.000 3.896 366 C HA -0.227 4.245 4.460 0.020 0.000 0.300 366 C C 1.374 176.411 174.990 0.079 0.000 1.322 366 C CA 0.919 59.977 59.018 0.068 0.000 2.130 366 C CB -3.074 24.718 27.740 0.086 0.000 1.363 366 C HN 1.776 nan 8.230 nan 0.000 0.642 367 S N -0.757 114.973 115.700 0.049 0.000 2.829 367 S HA -0.223 4.259 4.470 0.020 0.000 0.267 367 S C 0.381 175.005 174.600 0.040 0.000 1.293 367 S CA 1.557 59.776 58.200 0.031 0.000 1.375 367 S CB -0.980 62.236 63.200 0.028 0.000 1.700 367 S HN 1.237 nan 8.310 nan 0.000 0.668 368 S N 2.777 118.527 115.700 0.083 0.000 2.578 368 S HA 0.647 5.130 4.470 0.020 0.000 0.283 368 S C -0.011 174.616 174.600 0.046 0.000 1.195 368 S CA -0.716 57.555 58.200 0.118 0.000 1.050 368 S CB 1.140 64.467 63.200 0.212 0.000 1.012 368 S HN 0.641 nan 8.310 nan 0.000 0.511 369 N N 0.004 118.720 118.700 0.028 0.000 2.396 369 N HA 0.333 5.086 4.740 0.020 0.000 0.275 369 N C -1.548 173.906 175.510 -0.093 0.000 1.218 369 N CA -0.640 52.382 53.050 -0.047 0.000 0.812 369 N CB 0.954 39.403 38.487 -0.063 0.000 1.592 369 N HN 0.284 nan 8.380 nan 0.000 0.480 370 V N 0.531 120.354 119.914 -0.152 0.000 2.649 370 V HA 0.457 4.589 4.120 0.020 0.000 0.292 370 V C 0.534 176.482 176.094 -0.243 0.000 1.055 370 V CA -0.007 62.168 62.300 -0.208 0.000 1.023 370 V CB 1.008 32.701 31.823 -0.216 0.000 0.992 370 V HN 0.859 nan 8.190 nan 0.000 0.480 371 S N 2.496 117.954 115.700 -0.404 0.000 2.720 371 S HA 0.807 5.290 4.470 0.020 0.000 0.287 371 S C -1.321 173.097 174.600 -0.303 0.000 1.168 371 S CA -0.439 57.550 58.200 -0.351 0.000 0.832 371 S CB 2.054 65.025 63.200 -0.380 0.000 1.166 371 S HN 0.691 nan 8.310 nan 0.000 0.493 372 V N 0.845 120.699 119.914 -0.100 0.000 2.962 372 V HA 1.001 5.134 4.120 0.020 0.000 0.313 372 V C -0.356 175.694 176.094 -0.073 0.000 1.099 372 V CA 0.293 62.508 62.300 -0.143 0.000 0.971 372 V CB 1.370 32.981 31.823 -0.354 0.000 1.028 372 V HN 1.349 nan 8.190 nan 0.000 0.430 373 A N 4.208 126.845 122.820 -0.305 0.000 2.535 373 A HA 0.876 5.209 4.320 0.020 0.000 0.296 373 A C -1.377 175.711 177.584 -0.827 0.000 1.248 373 A CA -0.598 51.113 52.037 -0.544 0.000 0.686 373 A CB 1.712 20.254 19.000 -0.764 0.000 1.315 373 A HN 0.938 nan 8.150 nan 0.000 0.460 374 H N 0.561 119.301 119.070 -0.551 0.000 2.637 374 H HA 0.357 4.926 4.556 0.020 0.000 0.363 374 H C -0.926 174.075 175.328 -0.545 0.000 1.131 374 H CA -0.336 55.403 56.048 -0.516 0.000 1.183 374 H CB 1.830 31.270 29.762 -0.538 0.000 1.637 374 H HN 0.927 nan 8.280 nan 0.000 0.531 375 D N 0.903 121.195 120.400 -0.180 0.000 2.469 375 D HA 0.142 4.794 4.640 0.020 0.000 0.278 375 D C 1.178 177.534 176.300 0.094 0.000 1.231 375 D CA -0.340 53.618 54.000 -0.069 0.000 1.075 375 D CB 0.523 41.298 40.800 -0.041 0.000 1.121 375 D HN 0.446 nan 8.370 nan 0.000 0.571 376 A N 0.008 122.899 122.820 0.118 0.000 1.877 376 A HA -0.140 4.192 4.320 0.020 0.000 0.216 376 A C 2.259 179.915 177.584 0.120 0.000 1.186 376 A CA 1.981 54.104 52.037 0.145 0.000 0.620 376 A CB -0.968 18.081 19.000 0.081 0.000 0.822 376 A HN 0.519 nan 8.150 nan 0.000 0.443 377 S N -1.683 114.061 115.700 0.074 0.000 2.547 377 S HA 0.259 4.741 4.470 0.020 0.000 0.235 377 S C 1.553 176.188 174.600 0.060 0.000 0.980 377 S CA 1.170 59.403 58.200 0.053 0.000 0.941 377 S CB -0.158 63.063 63.200 0.034 0.000 0.763 377 S HN 1.657 nan 8.310 nan 0.000 0.532 378 G N 1.468 110.320 108.800 0.087 0.000 2.195 378 G HA2 -0.286 3.686 3.960 0.020 0.000 0.246 378 G HA3 -0.286 3.686 3.960 0.020 0.000 0.246 378 G C 0.139 175.099 174.900 0.101 0.000 0.984 378 G CA 0.263 45.406 45.100 0.073 0.000 0.633 378 G HN 0.534 nan 8.290 nan 0.000 0.525 379 K N 1.083 121.518 120.400 0.059 0.000 2.355 379 K HA 0.382 4.714 4.320 0.020 0.000 0.270 379 K C 0.823 177.405 176.600 -0.030 0.000 1.003 379 K CA -0.518 55.788 56.287 0.032 0.000 0.957 379 K CB 0.268 32.768 32.500 0.000 0.000 0.939 379 K HN 0.338 nan 8.250 nan 0.000 0.482 380 R N 1.520 121.956 120.500 -0.107 0.000 2.590 380 R HA 0.158 4.510 4.340 0.020 0.000 0.274 380 R C -0.783 175.286 176.300 -0.385 0.000 1.061 380 R CA -0.322 55.549 56.100 -0.381 0.000 1.081 380 R CB 0.807 30.875 30.300 -0.387 0.000 0.984 380 R HN 0.269 nan 8.270 nan 0.000 0.448 381 V N 4.149 123.767 119.914 -0.494 0.000 2.623 381 V HA 0.260 4.393 4.120 0.020 0.000 0.304 381 V C -1.132 174.775 176.094 -0.311 0.000 1.054 381 V CA -0.905 61.209 62.300 -0.310 0.000 0.882 381 V CB 1.413 33.115 31.823 -0.202 0.000 1.002 381 V HN 0.579 nan 8.190 nan 0.000 0.424 382 Y N 4.990 125.280 120.300 -0.018 0.000 2.352 382 Y HA 0.737 5.299 4.550 0.020 0.000 0.326 382 Y C -0.018 175.931 175.900 0.081 0.000 1.166 382 Y CA -0.400 57.687 58.100 -0.022 0.000 1.182 382 Y CB 1.466 39.873 38.460 -0.088 0.000 1.216 382 Y HN 0.734 nan 8.280 nan 0.000 0.474 383 Y N 0.058 120.411 120.300 0.088 0.000 2.638 383 Y HA 0.661 5.223 4.550 0.020 0.000 0.335 383 Y C -2.236 173.711 175.900 0.077 0.000 1.155 383 Y CA -1.923 56.207 58.100 0.050 0.000 1.046 383 Y CB 0.621 39.078 38.460 -0.005 0.000 1.303 383 Y HN 0.463 nan 8.280 nan 0.000 0.460 384 L N 2.059 123.344 121.223 0.103 0.000 2.312 384 L HA 0.767 5.120 4.340 0.020 0.000 0.281 384 L C 0.043 177.112 176.870 0.331 0.000 1.070 384 L CA 0.467 55.365 54.840 0.097 0.000 0.805 384 L CB 1.415 43.553 42.059 0.132 0.000 1.174 384 L HN 1.030 nan 8.230 nan 0.000 0.434 385 T N 4.258 118.967 114.554 0.257 0.000 2.778 385 T HA 0.865 5.227 4.350 0.020 0.000 0.293 385 T C -1.231 173.601 174.700 0.221 0.000 1.144 385 T CA -0.596 61.735 62.100 0.386 0.000 1.010 385 T CB 1.171 70.257 68.868 0.364 0.000 1.325 385 T HN 0.856 nan 8.240 nan 0.000 0.515 386 R N 0.541 121.109 120.500 0.114 0.000 2.728 386 R HA 0.480 4.832 4.340 0.020 0.000 0.274 386 R C -1.566 174.564 176.300 -0.282 0.000 1.030 386 R CA -1.010 55.034 56.100 -0.093 0.000 0.876 386 R CB 0.362 30.548 30.300 -0.191 0.000 1.259 386 R HN 0.523 nan 8.270 nan 0.000 0.468 387 D N 1.725 121.959 120.400 -0.277 0.000 2.458 387 D HA 0.062 4.714 4.640 0.020 0.000 0.243 387 D C -1.370 174.557 176.300 -0.622 0.000 1.146 387 D CA -1.399 52.389 54.000 -0.353 0.000 0.877 387 D CB 1.323 41.999 40.800 -0.205 0.000 1.176 387 D HN 0.374 nan 8.370 nan 0.000 0.461 388 P HA -0.006 nan 4.420 nan 0.000 0.249 388 P C 1.107 178.099 177.300 -0.514 0.000 1.229 388 P CA 0.159 62.618 63.100 -1.068 0.000 0.788 388 P CB 0.352 31.321 31.700 -1.219 0.000 1.072 389 T N 0.085 114.448 114.554 -0.319 0.000 2.635 389 T HA -0.132 4.230 4.350 0.020 0.000 0.267 389 T C 1.797 176.436 174.700 -0.102 0.000 1.040 389 T CA 2.411 64.418 62.100 -0.156 0.000 1.156 389 T CB -1.095 67.723 68.868 -0.084 0.000 0.863 389 T HN 0.209 nan 8.240 nan 0.000 0.430 390 T N 2.076 116.572 114.554 -0.096 0.000 2.777 390 T HA -0.032 4.330 4.350 0.020 0.000 0.266 390 T C -0.563 174.099 174.700 -0.063 0.000 1.040 390 T CA 1.045 63.118 62.100 -0.045 0.000 1.141 390 T CB -1.167 67.707 68.868 0.010 0.000 0.868 390 T HN 0.336 nan 8.240 nan 0.000 0.444 391 P HA 0.019 nan 4.420 nan 0.000 0.216 391 P C 1.479 178.821 177.300 0.069 0.000 1.150 391 P CA 0.869 63.974 63.100 0.008 0.000 0.837 391 P CB -0.149 31.527 31.700 -0.039 0.000 0.786 392 L N -1.380 119.834 121.223 -0.016 0.000 2.109 392 L HA -0.103 4.249 4.340 0.020 0.000 0.207 392 L C 2.455 179.358 176.870 0.055 0.000 1.086 392 L CA 1.345 56.197 54.840 0.020 0.000 0.760 392 L CB -1.137 40.889 42.059 -0.054 0.000 0.910 392 L HN -0.052 nan 8.230 nan 0.000 0.437 393 A N 0.414 123.256 122.820 0.036 0.000 1.902 393 A HA -0.213 4.119 4.320 0.020 0.000 0.217 393 A C 2.370 180.023 177.584 0.115 0.000 1.181 393 A CA 1.555 53.634 52.037 0.070 0.000 0.623 393 A CB -0.461 18.558 19.000 0.030 0.000 0.818 393 A HN 0.331 nan 8.150 nan 0.000 0.443 394 R N -0.658 119.887 120.500 0.075 0.000 2.115 394 R HA 0.028 4.380 4.340 0.020 0.000 0.226 394 R C 2.396 178.865 176.300 0.281 0.000 1.100 394 R CA 0.940 57.112 56.100 0.119 0.000 0.980 394 R CB -0.379 29.934 30.300 0.023 0.000 0.875 394 R HN 0.515 nan 8.270 nan 0.000 0.445 395 A N 1.371 124.369 122.820 0.297 0.000 1.930 395 A HA -0.066 4.267 4.320 0.020 0.000 0.217 395 A C 2.360 180.156 177.584 0.354 0.000 1.175 395 A CA 1.534 53.848 52.037 0.462 0.000 0.627 395 A CB -0.495 18.773 19.000 0.446 0.000 0.815 395 A HN 0.362 nan 8.150 nan 0.000 0.443 396 A N -1.149 121.798 122.820 0.212 0.000 1.877 396 A HA -0.179 4.153 4.320 0.020 0.000 0.216 396 A C 2.115 179.830 177.584 0.218 0.000 1.186 396 A CA 1.394 53.522 52.037 0.151 0.000 0.620 396 A CB -0.914 18.161 19.000 0.125 0.000 0.822 396 A HN 0.831 nan 8.150 nan 0.000 0.443 397 W N 1.184 122.542 121.300 0.096 0.000 2.335 397 W HA -0.168 4.505 4.660 0.020 0.000 0.311 397 W C 1.643 178.231 176.519 0.114 0.000 1.213 397 W CA 2.023 59.419 57.345 0.085 0.000 1.274 397 W CB -0.355 29.134 29.460 0.048 0.000 1.148 397 W HN 0.567 nan 8.180 nan 0.000 0.498 398 E N -0.787 119.688 120.200 0.458 0.000 2.409 398 E HA -0.129 4.233 4.350 0.020 0.000 0.198 398 E C 1.925 178.695 176.600 0.283 0.000 1.024 398 E CA 1.455 58.092 56.400 0.395 0.000 0.861 398 E CB -0.126 29.863 29.700 0.483 0.000 0.788 398 E HN 0.142 nan 8.360 nan 0.000 0.521 399 T N 0.326 115.027 114.554 0.246 0.000 2.937 399 T HA 0.029 4.391 4.350 0.020 0.000 0.260 399 T C 1.925 176.631 174.700 0.009 0.000 1.051 399 T CA 0.924 63.118 62.100 0.158 0.000 1.141 399 T CB 0.088 69.068 68.868 0.186 0.000 0.879 399 T HN 0.214 nan 8.240 nan 0.000 0.459 400 A N 1.062 123.855 122.820 -0.044 0.000 2.072 400 A HA 0.244 4.576 4.320 0.020 0.000 0.216 400 A C 1.132 178.589 177.584 -0.212 0.000 1.156 400 A CA 0.430 52.384 52.037 -0.139 0.000 0.701 400 A CB 0.114 19.006 19.000 -0.179 0.000 0.816 400 A HN 0.321 nan 8.150 nan 0.000 0.458 401 R N -0.445 119.921 120.500 -0.224 0.000 2.686 401 R HA 0.390 4.742 4.340 0.020 0.000 0.283 401 R C -1.245 175.038 176.300 -0.028 0.000 0.978 401 R CA -0.825 55.168 56.100 -0.179 0.000 0.897 401 R CB 1.052 31.169 30.300 -0.305 0.000 1.192 401 R HN 0.363 nan 8.270 nan 0.000 0.457 402 H N 1.393 120.504 119.070 0.068 0.000 2.764 402 H HA 0.138 4.708 4.556 0.023 0.000 0.341 402 H C 0.110 175.524 175.328 0.144 0.000 1.072 402 H CA 0.648 56.761 56.048 0.108 0.000 1.444 402 H CB 1.296 31.104 29.762 0.075 0.000 1.458 402 H HN 0.637 nan 8.280 nan 0.000 0.572 403 T N 0.551 115.286 114.554 0.302 0.000 2.903 403 T HA 0.250 4.612 4.350 0.020 0.000 0.299 403 T C -1.584 173.224 174.700 0.180 0.000 1.093 403 T CA -1.504 60.737 62.100 0.235 0.000 1.002 403 T CB 2.395 71.413 68.868 0.250 0.000 1.127 403 T HN 0.281 nan 8.240 nan 0.000 0.488 404 P HA 0.062 nan 4.420 nan 0.000 0.215 404 P C 0.230 177.585 177.300 0.091 0.000 1.157 404 P CA 0.535 63.712 63.100 0.128 0.000 0.863 404 P CB 0.021 31.791 31.700 0.117 0.000 0.787 405 V N 1.889 121.837 119.914 0.057 0.000 2.547 405 V HA 0.251 4.383 4.120 0.020 0.000 0.299 405 V C 0.119 176.203 176.094 -0.015 0.000 1.040 405 V CA -0.751 61.550 62.300 0.001 0.000 0.913 405 V CB 1.514 33.326 31.823 -0.019 0.000 0.992 405 V HN 0.059 nan 8.190 nan 0.000 0.449 406 N N 2.589 121.211 118.700 -0.130 0.000 2.678 406 N HA 0.102 4.854 4.740 0.020 0.000 0.231 406 N C 1.240 176.529 175.510 -0.368 0.000 1.038 406 N CA 0.089 52.964 53.050 -0.291 0.000 0.932 406 N CB 1.661 39.761 38.487 -0.645 0.000 1.176 406 N HN 0.826 nan 8.380 nan 0.000 0.511 407 S N 1.816 117.444 115.700 -0.121 0.000 2.399 407 S HA -0.118 4.364 4.470 0.020 0.000 0.231 407 S C 1.819 176.408 174.600 -0.018 0.000 1.022 407 S CA 0.263 58.436 58.200 -0.045 0.000 0.983 407 S CB -0.404 62.820 63.200 0.040 0.000 0.803 407 S HN 0.776 nan 8.310 nan 0.000 0.480 408 W N 1.343 122.595 121.300 -0.080 0.000 2.363 408 W HA -0.031 4.635 4.660 0.010 0.000 0.296 408 W C 1.734 178.186 176.519 -0.111 0.000 1.212 408 W CA 0.545 57.811 57.345 -0.132 0.000 1.260 408 W CB -1.095 28.005 29.460 -0.601 0.000 1.131 408 W HN 0.377 nan 8.180 nan 0.000 0.530 409 L N 2.951 123.562 121.223 -1.020 0.000 2.056 409 L HA 0.151 4.503 4.340 0.020 0.000 0.207 409 L C 2.627 179.316 176.870 -0.303 0.000 1.078 409 L CA 2.808 57.111 54.840 -0.895 0.000 0.749 409 L CB -1.392 39.880 42.059 -1.311 0.000 0.901 409 L HN 0.044 nan 8.230 nan 0.000 0.433 410 G N -0.636 108.015 108.800 -0.248 0.000 2.422 410 G HA2 -0.289 3.684 3.960 0.020 0.000 0.218 410 G HA3 -0.289 3.684 3.960 0.020 0.000 0.218 410 G C 1.465 176.390 174.900 0.042 0.000 1.146 410 G CA 0.742 45.785 45.100 -0.094 0.000 0.769 410 G HN 0.453 nan 8.290 nan 0.000 0.547 411 N N 0.514 119.295 118.700 0.136 0.000 2.244 411 N HA -0.003 4.749 4.740 0.020 0.000 0.183 411 N C 2.223 177.879 175.510 0.242 0.000 1.016 411 N CA 0.590 53.837 53.050 0.329 0.000 0.866 411 N CB -0.096 38.656 38.487 0.440 0.000 0.980 411 N HN 0.335 nan 8.380 nan 0.000 0.430 412 I N 0.856 121.532 120.570 0.177 0.000 2.315 412 I HA -0.187 3.995 4.170 0.020 0.000 0.248 412 I C 2.027 178.205 176.117 0.100 0.000 1.117 412 I CA 0.762 62.148 61.300 0.143 0.000 1.404 412 I CB -0.075 38.077 38.000 0.253 0.000 1.071 412 I HN 0.039 nan 8.210 nan 0.000 0.419 413 I N -0.016 120.617 120.570 0.105 0.000 2.163 413 I HA -0.279 3.903 4.170 0.020 0.000 0.240 413 I C 2.482 178.704 176.117 0.175 0.000 1.081 413 I CA 1.205 62.592 61.300 0.145 0.000 1.353 413 I CB -0.219 37.853 38.000 0.121 0.000 1.054 413 I HN 0.197 nan 8.210 nan 0.000 0.407 414 M N -0.581 119.044 119.600 0.041 0.000 2.254 414 M HA -0.127 4.365 4.480 0.020 0.000 0.265 414 M C 1.089 177.174 176.300 -0.358 0.000 1.066 414 M CA 1.731 56.939 55.300 -0.154 0.000 1.123 414 M CB -0.773 31.618 32.600 -0.347 0.000 1.388 414 M HN 0.210 nan 8.290 nan 0.000 0.425 415 Y N -0.735 119.553 120.300 -0.021 0.000 2.720 415 Y HA 0.480 5.041 4.550 0.019 0.000 0.268 415 Y C 1.807 177.438 175.900 -0.449 0.000 1.142 415 Y CA -0.315 57.652 58.100 -0.222 0.000 1.193 415 Y CB -0.877 37.403 38.460 -0.300 0.000 1.176 415 Y HN 0.153 nan 8.280 nan 0.000 0.542 416 A N 0.909 123.523 122.820 -0.345 0.000 1.958 416 A HA -0.179 4.153 4.320 0.020 0.000 0.221 416 A C -0.434 176.870 177.584 -0.467 0.000 1.178 416 A CA 1.779 53.591 52.037 -0.374 0.000 0.642 416 A CB -1.328 17.485 19.000 -0.312 0.000 0.816 416 A HN 0.287 nan 8.150 nan 0.000 0.453 417 P HA 0.010 nan 4.420 nan 0.000 0.229 417 P C 0.740 177.746 177.300 -0.490 0.000 1.160 417 P CA 1.243 64.043 63.100 -0.500 0.000 0.777 417 P CB -0.340 31.081 31.700 -0.464 0.000 0.814 418 T N -2.315 111.959 114.554 -0.467 0.000 2.900 418 T HA 0.076 4.438 4.350 0.020 0.000 0.307 418 T C 1.151 175.448 174.700 -0.671 0.000 1.065 418 T CA -0.606 61.175 62.100 -0.533 0.000 1.105 418 T CB 0.515 68.867 68.868 -0.861 0.000 0.979 418 T HN -0.160 nan 8.240 nan 0.000 0.544 419 L N 2.328 123.090 121.223 -0.768 0.000 2.012 419 L HA 0.012 4.364 4.340 0.020 0.000 0.210 419 L C 2.406 178.964 176.870 -0.519 0.000 1.073 419 L CA 1.729 56.061 54.840 -0.846 0.000 0.748 419 L CB -1.075 40.411 42.059 -0.954 0.000 0.891 419 L HN 0.930 nan 8.230 nan 0.000 0.431 420 W N -0.504 120.578 121.300 -0.362 0.000 2.388 420 W HA 0.058 4.729 4.660 0.019 0.000 0.294 420 W C 2.001 178.380 176.519 -0.233 0.000 1.212 420 W CA 0.857 58.027 57.345 -0.293 0.000 1.271 420 W CB -1.442 27.883 29.460 -0.225 0.000 1.126 420 W HN 0.345 nan 8.180 nan 0.000 0.535 421 A N 1.868 124.220 122.820 -0.781 0.000 1.898 421 A HA -0.112 4.220 4.320 0.020 0.000 0.216 421 A C 2.261 179.685 177.584 -0.267 0.000 1.181 421 A CA 1.671 53.400 52.037 -0.514 0.000 0.620 421 A CB -0.703 17.861 19.000 -0.727 0.000 0.819 421 A HN 0.295 nan 8.150 nan 0.000 0.442 422 R N -0.935 119.328 120.500 -0.395 0.000 2.057 422 R HA 0.059 4.411 4.340 0.020 0.000 0.229 422 R C 2.266 178.380 176.300 -0.309 0.000 1.136 422 R CA 1.673 57.558 56.100 -0.359 0.000 0.952 422 R CB -0.368 29.565 30.300 -0.612 0.000 0.848 422 R HN 0.486 nan 8.270 nan 0.000 0.430 423 M N -0.135 119.116 119.600 -0.582 0.000 2.254 423 M HA -0.036 4.456 4.480 0.020 0.000 0.265 423 M C 1.933 178.164 176.300 -0.115 0.000 1.066 423 M CA 1.513 56.558 55.300 -0.425 0.000 1.123 423 M CB 0.055 32.330 32.600 -0.543 0.000 1.388 423 M HN 0.140 nan 8.290 nan 0.000 0.425 424 I N -0.719 119.637 120.570 -0.355 0.000 3.098 424 I HA -0.102 4.080 4.170 0.020 0.000 0.241 424 I C 2.109 178.051 176.117 -0.292 0.000 1.081 424 I CA 0.324 61.167 61.300 -0.762 0.000 1.487 424 I CB -0.320 37.173 38.000 -0.846 0.000 1.366 424 I HN 0.125 nan 8.210 nan 0.000 0.463 425 L N 0.383 121.606 121.223 0.000 0.000 2.012 425 L HA -0.243 4.109 4.340 0.020 0.000 0.210 425 L C 2.714 179.872 176.870 0.480 0.000 1.073 425 L CA 1.731 56.765 54.840 0.325 0.000 0.748 425 L CB -0.504 41.803 42.059 0.413 0.000 0.891 425 L HN 0.303 nan 8.230 nan 0.000 0.431 426 M N -0.891 118.962 119.600 0.421 0.000 2.086 426 M HA -0.186 4.306 4.480 0.020 0.000 0.261 426 M C 2.349 179.147 176.300 0.831 0.000 1.067 426 M CA 2.129 57.788 55.300 0.599 0.000 1.116 426 M CB -0.642 32.121 32.600 0.272 0.000 1.348 426 M HN 0.275 nan 8.290 nan 0.000 0.407 427 T N -1.290 113.728 114.554 0.774 0.000 2.652 427 T HA -0.234 4.128 4.350 0.020 0.000 0.267 427 T C 1.637 176.617 174.700 0.466 0.000 1.039 427 T CA 1.962 64.472 62.100 0.683 0.000 1.153 427 T CB -0.607 68.701 68.868 0.733 0.000 0.863 427 T HN 0.457 nan 8.240 nan 0.000 0.428 428 H N 0.564 119.790 119.070 0.260 0.000 2.267 428 H HA -0.054 4.516 4.556 0.023 0.000 0.297 428 H C 1.804 176.985 175.328 -0.245 0.000 1.080 428 H CA 1.719 57.768 56.048 0.002 0.000 1.278 428 H CB -0.572 29.009 29.762 -0.301 0.000 1.365 428 H HN 0.355 nan 8.280 nan 0.000 0.489 429 F N -1.156 118.724 119.950 -0.117 0.000 2.259 429 F HA -0.015 4.521 4.527 0.015 0.000 0.298 429 F C 2.091 177.737 175.800 -0.256 0.000 1.088 429 F CA 0.576 58.300 58.000 -0.461 0.000 1.358 429 F CB -0.590 37.777 39.000 -1.055 0.000 1.040 429 F HN 0.143 nan 8.300 nan 0.000 0.505 430 F N -0.565 119.488 119.950 0.172 0.000 2.234 430 F HA -0.168 4.376 4.527 0.028 0.000 0.299 430 F C 2.711 178.548 175.800 0.061 0.000 1.087 430 F CA 1.413 59.529 58.000 0.193 0.000 1.340 430 F CB -0.765 38.449 39.000 0.357 0.000 1.031 430 F HN -0.103 nan 8.300 nan 0.000 0.500 431 S N 0.296 116.077 115.700 0.134 0.000 2.368 431 S HA -0.159 4.323 4.470 0.020 0.000 0.225 431 S C 2.141 176.705 174.600 -0.060 0.000 1.030 431 S CA 1.346 59.555 58.200 0.014 0.000 0.999 431 S CB -0.404 62.781 63.200 -0.024 0.000 0.844 431 S HN 0.321 nan 8.310 nan 0.000 0.459 432 I N 1.151 121.622 120.570 -0.165 0.000 2.202 432 I HA -0.155 4.027 4.170 0.020 0.000 0.242 432 I C 2.183 178.259 176.117 -0.069 0.000 1.091 432 I CA 1.021 62.222 61.300 -0.166 0.000 1.368 432 I CB -0.343 37.486 38.000 -0.285 0.000 1.058 432 I HN 0.298 nan 8.210 nan 0.000 0.410 433 L N 0.134 121.323 121.223 -0.057 0.000 2.083 433 L HA -0.232 4.121 4.340 0.020 0.000 0.209 433 L C 2.522 179.403 176.870 0.019 0.000 1.083 433 L CA 1.242 56.071 54.840 -0.019 0.000 0.752 433 L CB -0.421 41.586 42.059 -0.087 0.000 0.899 433 L HN 0.292 nan 8.230 nan 0.000 0.433 434 L N -0.614 120.632 121.223 0.038 0.000 2.005 434 L HA -0.190 4.163 4.340 0.020 0.000 0.207 434 L C 2.866 179.751 176.870 0.026 0.000 1.072 434 L CA 1.268 56.141 54.840 0.054 0.000 0.744 434 L CB -0.566 41.534 42.059 0.068 0.000 0.895 434 L HN 0.231 nan 8.230 nan 0.000 0.433 435 A N -0.591 122.231 122.820 0.004 0.000 1.908 435 A HA -0.253 4.080 4.320 0.020 0.000 0.218 435 A C 2.076 179.663 177.584 0.005 0.000 1.181 435 A CA 1.632 53.667 52.037 -0.004 0.000 0.627 435 A CB -0.442 18.543 19.000 -0.024 0.000 0.818 435 A HN 0.566 nan 8.150 nan 0.000 0.445 436 Q N -1.030 118.775 119.800 0.009 0.000 2.425 436 Q HA 0.068 4.420 4.340 0.020 0.000 0.204 436 Q C -0.685 175.335 176.000 0.033 0.000 0.933 436 Q CA 0.398 56.215 55.803 0.023 0.000 0.939 436 Q CB 0.096 28.854 28.738 0.033 0.000 1.044 436 Q HN 0.734 nan 8.270 nan 0.000 0.513 437 E N 0.369 120.589 120.200 0.033 0.000 2.320 437 E HA -0.252 4.110 4.350 0.020 0.000 0.234 437 E C -0.434 176.194 176.600 0.047 0.000 1.183 437 E CA 0.237 56.661 56.400 0.040 0.000 0.713 437 E CB -1.304 28.417 29.700 0.035 0.000 1.226 437 E HN 0.452 nan 8.360 nan 0.000 0.382 438 Q N -0.172 119.659 119.800 0.051 0.000 2.155 438 Q HA 0.162 4.514 4.340 0.020 0.000 0.273 438 Q C 0.962 176.998 176.000 0.059 0.000 0.857 438 Q CA -0.374 55.465 55.803 0.059 0.000 1.116 438 Q CB 0.473 29.254 28.738 0.073 0.000 1.209 438 Q HN 0.189 nan 8.270 nan 0.000 0.460 439 L N 0.572 121.831 121.223 0.060 0.000 2.191 439 L HA -0.150 4.203 4.340 0.020 0.000 0.212 439 L C 1.621 178.538 176.870 0.078 0.000 1.103 439 L CA 1.803 56.684 54.840 0.068 0.000 0.769 439 L CB -0.032 42.095 42.059 0.113 0.000 0.908 439 L HN 0.278 nan 8.230 nan 0.000 0.438 440 E N -0.904 119.338 120.200 0.071 0.000 2.474 440 E HA -0.010 4.352 4.350 0.020 0.000 0.195 440 E C 0.642 177.279 176.600 0.061 0.000 1.039 440 E CA -0.134 56.306 56.400 0.067 0.000 0.881 440 E CB 0.301 30.036 29.700 0.059 0.000 0.970 440 E HN 0.260 nan 8.360 nan 0.000 0.486 441 K N 1.857 122.295 120.400 0.064 0.000 2.297 441 K HA 0.302 4.634 4.320 0.020 0.000 0.286 441 K C -0.468 176.171 176.600 0.065 0.000 1.053 441 K CA -0.273 56.052 56.287 0.064 0.000 0.940 441 K CB 0.812 33.355 32.500 0.073 0.000 1.019 441 K HN -0.092 nan 8.250 nan 0.000 0.475 442 A N 5.188 128.042 122.820 0.057 0.000 2.425 442 A HA 0.386 4.718 4.320 0.020 0.000 0.249 442 A C -0.529 177.081 177.584 0.044 0.000 1.084 442 A CA -0.343 51.724 52.037 0.050 0.000 0.781 442 A CB 0.181 19.212 19.000 0.051 0.000 1.019 442 A HN 0.754 nan 8.150 nan 0.000 0.490 443 L N 1.614 122.846 121.223 0.016 0.000 2.354 443 L HA 0.422 4.774 4.340 0.020 0.000 0.264 443 L C -0.911 175.932 176.870 -0.044 0.000 1.008 443 L CA -1.066 53.767 54.840 -0.012 0.000 0.819 443 L CB 2.137 44.159 42.059 -0.062 0.000 1.339 443 L HN 0.592 nan 8.230 nan 0.000 0.420 444 D N 1.304 121.679 120.400 -0.041 0.000 2.177 444 D HA 0.488 5.140 4.640 0.020 0.000 0.247 444 D C -0.568 175.668 176.300 -0.107 0.000 1.063 444 D CA -0.041 53.934 54.000 -0.042 0.000 0.867 444 D CB 1.946 42.738 40.800 -0.012 0.000 1.168 444 D HN 0.602 nan 8.370 nan 0.000 0.445 445 C N 0.403 119.638 119.300 -0.109 0.000 3.241 445 C HA 0.616 5.088 4.460 0.020 0.000 0.312 445 C C -0.860 174.081 174.990 -0.082 0.000 1.350 445 C CA -0.879 58.053 59.018 -0.144 0.000 1.415 445 C CB 1.577 29.181 27.740 -0.228 0.000 1.770 445 C HN 0.504 nan 8.230 nan 0.000 0.466 446 Q N 1.137 120.897 119.800 -0.068 0.000 2.282 446 Q HA 0.659 5.011 4.340 0.020 0.000 0.260 446 Q C -0.980 175.007 176.000 -0.022 0.000 0.964 446 Q CA -0.531 55.258 55.803 -0.024 0.000 0.880 446 Q CB 1.951 30.683 28.738 -0.010 0.000 1.286 446 Q HN 0.671 nan 8.270 nan 0.000 0.445 447 I N 3.568 124.144 120.570 0.011 0.000 2.420 447 I HA 0.144 4.326 4.170 0.020 0.000 0.282 447 I C -0.866 175.299 176.117 0.081 0.000 1.019 447 I CA -0.630 60.599 61.300 -0.119 0.000 1.130 447 I CB 0.508 38.191 38.000 -0.528 0.000 1.262 447 I HN 0.716 nan 8.210 nan 0.000 0.454 448 Y N 5.064 125.434 120.300 0.116 0.000 3.234 448 Y HA -0.207 4.355 4.550 0.021 0.000 0.207 448 Y C 1.584 177.488 175.900 0.006 0.000 1.316 448 Y CA 1.028 59.185 58.100 0.096 0.000 1.309 448 Y CB -1.961 36.562 38.460 0.105 0.000 1.408 448 Y HN 0.939 nan 8.280 nan 0.000 0.544 449 G N -2.006 106.897 108.800 0.172 0.000 2.284 449 G HA2 -0.060 3.912 3.960 0.020 0.000 0.261 449 G HA3 -0.060 3.912 3.960 0.020 0.000 0.261 449 G C 0.503 175.436 174.900 0.054 0.000 0.997 449 G CA 0.304 45.459 45.100 0.092 0.000 0.621 449 G HN 1.631 nan 8.290 nan 0.000 0.534 450 A N -0.527 122.329 122.820 0.060 0.000 2.310 450 A HA 0.630 4.963 4.320 0.020 0.000 0.299 450 A C 0.686 178.094 177.584 -0.294 0.000 1.147 450 A CA 0.429 52.369 52.037 -0.161 0.000 0.818 450 A CB 0.937 19.811 19.000 -0.210 0.000 1.096 450 A HN 1.519 nan 8.150 nan 0.000 0.495 451 C N 2.599 121.660 119.300 -0.397 0.000 2.435 451 C HA 0.719 5.191 4.460 0.020 0.000 0.375 451 C C -1.016 173.594 174.990 -0.634 0.000 1.281 451 C CA -0.360 58.475 59.018 -0.305 0.000 1.963 451 C CB -1.408 26.298 27.740 -0.056 0.000 2.490 451 C HN 0.640 nan 8.230 nan 0.000 0.557 452 Y N 3.097 123.221 120.300 -0.293 0.000 2.425 452 Y HA 0.418 4.979 4.550 0.018 0.000 0.344 452 Y C 0.387 176.153 175.900 -0.223 0.000 0.969 452 Y CA -0.286 57.593 58.100 -0.367 0.000 1.052 452 Y CB 1.862 40.014 38.460 -0.513 0.000 1.215 452 Y HN 0.611 nan 8.280 nan 0.000 0.451 453 S N 4.597 120.273 115.700 -0.040 0.000 2.422 453 S HA 0.693 5.175 4.470 0.020 0.000 0.298 453 S C -0.835 173.797 174.600 0.052 0.000 1.118 453 S CA -0.288 57.929 58.200 0.028 0.000 1.083 453 S CB -0.448 62.793 63.200 0.067 0.000 0.971 453 S HN 0.542 nan 8.310 nan 0.000 0.478 454 I N 3.818 124.408 120.570 0.033 0.000 2.608 454 I HA 0.377 4.559 4.170 0.020 0.000 0.295 454 I C -0.316 175.825 176.117 0.040 0.000 1.049 454 I CA -0.722 60.612 61.300 0.056 0.000 1.063 454 I CB 2.330 40.361 38.000 0.053 0.000 1.248 454 I HN 0.543 nan 8.210 nan 0.000 0.424 455 E N 6.500 126.739 120.200 0.064 0.000 2.130 455 E HA 0.201 4.563 4.350 0.020 0.000 0.284 455 E C -1.857 174.796 176.600 0.089 0.000 1.018 455 E CA -1.578 54.862 56.400 0.068 0.000 0.817 455 E CB 1.271 31.013 29.700 0.069 0.000 1.078 455 E HN 0.313 nan 8.360 nan 0.000 0.396 456 P HA -0.220 nan 4.420 nan 0.000 0.217 456 P C 0.968 178.417 177.300 0.248 0.000 1.148 456 P CA 1.178 64.357 63.100 0.130 0.000 0.834 456 P CB 0.215 31.923 31.700 0.014 0.000 0.783 457 L N -1.010 120.331 121.223 0.197 0.000 2.353 457 L HA -0.130 4.222 4.340 0.020 0.000 0.220 457 L C 1.344 178.307 176.870 0.155 0.000 1.133 457 L CA 1.168 56.135 54.840 0.213 0.000 0.798 457 L CB -0.577 41.571 42.059 0.147 0.000 0.922 457 L HN 0.010 nan 8.230 nan 0.000 0.445 458 D N -0.561 119.916 120.400 0.129 0.000 2.339 458 D HA 0.033 4.685 4.640 0.020 0.000 0.217 458 D C 2.238 178.594 176.300 0.093 0.000 1.050 458 D CA 0.198 54.245 54.000 0.078 0.000 0.856 458 D CB 0.432 41.263 40.800 0.052 0.000 0.922 458 D HN 0.292 nan 8.370 nan 0.000 0.518 459 L N 1.097 122.421 121.223 0.169 0.000 2.043 459 L HA -0.176 4.176 4.340 0.020 0.000 0.212 459 L C -0.476 176.494 176.870 0.166 0.000 1.075 459 L CA 1.633 56.589 54.840 0.194 0.000 0.752 459 L CB -1.492 40.752 42.059 0.309 0.000 0.891 459 L HN 0.040 nan 8.230 nan 0.000 0.432 460 P HA -0.202 nan 4.420 nan 0.000 0.215 460 P C 1.445 178.789 177.300 0.074 0.000 1.153 460 P CA 1.378 64.499 63.100 0.035 0.000 0.853 460 P CB 0.026 31.587 31.700 -0.233 0.000 0.788 461 Q N -0.934 118.856 119.800 -0.017 0.000 2.046 461 Q HA -0.097 4.255 4.340 0.020 0.000 0.200 461 Q C 2.239 178.226 176.000 -0.023 0.000 0.975 461 Q CA 1.172 56.951 55.803 -0.040 0.000 0.836 461 Q CB -0.625 28.070 28.738 -0.072 0.000 0.896 461 Q HN 0.263 nan 8.270 nan 0.000 0.428 462 I N 0.652 121.211 120.570 -0.017 0.000 2.163 462 I HA -0.310 3.872 4.170 0.020 0.000 0.243 462 I C 2.232 178.352 176.117 0.005 0.000 1.085 462 I CA 1.287 62.549 61.300 -0.063 0.000 1.347 462 I CB -0.305 37.694 38.000 -0.001 0.000 1.044 462 I HN 0.211 nan 8.210 nan 0.000 0.408 463 I N 0.347 120.988 120.570 0.118 0.000 2.226 463 I HA -0.297 3.885 4.170 0.020 0.000 0.245 463 I C 2.646 178.779 176.117 0.027 0.000 1.100 463 I CA 1.447 62.833 61.300 0.143 0.000 1.374 463 I CB -0.423 37.690 38.000 0.189 0.000 1.057 463 I HN 0.317 nan 8.210 nan 0.000 0.413 464 E N 0.988 121.248 120.200 0.101 0.000 2.051 464 E HA -0.235 4.128 4.350 0.020 0.000 0.192 464 E C 2.385 178.972 176.600 -0.022 0.000 0.991 464 E CA 1.015 57.451 56.400 0.061 0.000 0.799 464 E CB 0.113 29.919 29.700 0.178 0.000 0.748 464 E HN 0.259 nan 8.360 nan 0.000 0.449 465 R N 0.130 120.600 120.500 -0.050 0.000 2.096 465 R HA -0.094 4.258 4.340 0.020 0.000 0.235 465 R C 2.385 178.607 176.300 -0.130 0.000 1.127 465 R CA 0.862 56.904 56.100 -0.097 0.000 0.968 465 R CB -0.391 29.821 30.300 -0.147 0.000 0.861 465 R HN 0.351 nan 8.270 nan 0.000 0.440 466 L N -1.230 119.887 121.223 -0.177 0.000 2.221 466 L HA 0.000 4.353 4.340 0.020 0.000 0.202 466 L C 1.864 178.450 176.870 -0.473 0.000 1.074 466 L CA 0.782 55.422 54.840 -0.333 0.000 0.795 466 L CB -0.282 41.520 42.059 -0.429 0.000 0.960 466 L HN 0.212 nan 8.230 nan 0.000 0.458 467 H N -0.465 118.527 119.070 -0.129 0.000 2.740 467 H HA 0.315 4.883 4.556 0.020 0.000 0.265 467 H C 0.871 176.106 175.328 -0.155 0.000 0.978 467 H CA 0.801 56.758 56.048 -0.151 0.000 1.198 467 H CB 0.990 30.632 29.762 -0.200 0.000 1.467 467 H HN 0.292 nan 8.280 nan 0.000 0.511 468 G N 0.848 109.612 108.800 -0.060 0.000 2.699 468 G HA2 -0.218 3.755 3.960 0.020 0.000 0.686 468 G HA3 -0.218 3.755 3.960 0.020 0.000 0.686 468 G C 0.616 175.450 174.900 -0.110 0.000 1.301 468 G CA -0.213 44.854 45.100 -0.055 0.000 0.816 468 G HN 0.229 nan 8.290 nan 0.000 0.595 469 L N 1.017 122.238 121.223 -0.004 0.000 2.261 469 L HA -0.127 4.225 4.340 0.020 0.000 0.216 469 L C 3.173 180.045 176.870 0.003 0.000 1.114 469 L CA 2.202 57.099 54.840 0.095 0.000 0.777 469 L CB -0.458 41.722 42.059 0.201 0.000 0.910 469 L HN 0.928 nan 8.230 nan 0.000 0.440 470 S N -0.184 115.485 115.700 -0.052 0.000 2.442 470 S HA -0.167 4.316 4.470 0.020 0.000 0.236 470 S C 2.079 176.583 174.600 -0.159 0.000 1.007 470 S CA 0.796 58.955 58.200 -0.067 0.000 0.965 470 S CB -0.363 62.796 63.200 -0.069 0.000 0.773 470 S HN 0.382 nan 8.310 nan 0.000 0.504 471 A N 0.597 123.226 122.820 -0.319 0.000 2.125 471 A HA 0.173 4.505 4.320 0.020 0.000 0.219 471 A C 1.398 178.756 177.584 -0.376 0.000 1.156 471 A CA 0.876 52.648 52.037 -0.442 0.000 0.671 471 A CB -0.793 17.852 19.000 -0.592 0.000 0.794 471 A HN 0.591 nan 8.150 nan 0.000 0.459 472 F N -0.376 119.588 119.950 0.024 0.000 2.727 472 F HA 0.162 4.700 4.527 0.020 0.000 0.302 472 F C 1.772 177.614 175.800 0.070 0.000 1.097 472 F CA 0.395 58.432 58.000 0.062 0.000 1.330 472 F CB 0.121 39.185 39.000 0.105 0.000 1.084 472 F HN 0.256 nan 8.300 nan 0.000 0.578 473 S N -1.105 114.688 115.700 0.156 0.000 2.960 473 S HA 0.306 4.788 4.470 0.020 0.000 0.256 473 S C -0.085 174.585 174.600 0.117 0.000 1.017 473 S CA -0.381 57.912 58.200 0.155 0.000 1.144 473 S CB -0.622 62.661 63.200 0.139 0.000 1.109 473 S HN 0.050 nan 8.310 nan 0.000 0.638 474 L N 3.339 124.541 121.223 -0.035 0.000 2.453 474 L HA 0.479 4.832 4.340 0.020 0.000 0.272 474 L C 0.534 177.288 176.870 -0.193 0.000 1.182 474 L CA -0.012 54.673 54.840 -0.258 0.000 0.858 474 L CB 0.073 41.834 42.059 -0.497 0.000 1.120 474 L HN 0.682 nan 8.230 nan 0.000 0.474 475 H N -1.388 117.472 119.070 -0.350 0.000 2.918 475 H HA 0.387 4.955 4.556 0.020 0.000 0.303 475 H C -0.303 174.906 175.328 -0.199 0.000 1.380 475 H CA -0.906 55.025 56.048 -0.195 0.000 1.134 475 H CB 1.040 30.799 29.762 -0.005 0.000 1.842 475 H HN 0.376 nan 8.280 nan 0.000 0.533 476 S N -0.656 115.106 115.700 0.104 0.000 3.697 476 S HA -0.227 4.255 4.470 0.020 0.000 0.388 476 S C -0.670 173.960 174.600 0.051 0.000 0.941 476 S CA 0.423 58.693 58.200 0.116 0.000 1.247 476 S CB -2.443 60.814 63.200 0.095 0.000 0.904 476 S HN 0.526 nan 8.310 nan 0.000 0.518 477 Y N 1.919 122.259 120.300 0.066 0.000 2.357 477 Y HA 0.316 4.878 4.550 0.021 0.000 0.340 477 Y C 1.405 177.349 175.900 0.074 0.000 1.260 477 Y CA 0.407 58.540 58.100 0.056 0.000 1.425 477 Y CB 0.418 38.904 38.460 0.044 0.000 1.326 477 Y HN 0.526 nan 8.280 nan 0.000 0.580 478 S N 1.698 117.540 115.700 0.237 0.000 2.568 478 S HA 0.076 4.558 4.470 0.020 0.000 0.282 478 S C -2.006 172.676 174.600 0.136 0.000 1.338 478 S CA -1.037 57.250 58.200 0.145 0.000 1.045 478 S CB 1.078 64.339 63.200 0.102 0.000 0.873 478 S HN 0.456 nan 8.310 nan 0.000 0.516 479 P HA 0.021 nan 4.420 nan 0.000 0.216 479 P C 1.716 179.054 177.300 0.064 0.000 1.150 479 P CA 1.557 64.703 63.100 0.077 0.000 0.837 479 P CB -0.406 31.330 31.700 0.060 0.000 0.786 480 G N 0.003 108.838 108.800 0.057 0.000 2.421 480 G HA2 -0.278 3.695 3.960 0.020 0.000 0.216 480 G HA3 -0.278 3.695 3.960 0.020 0.000 0.216 480 G C 1.666 176.593 174.900 0.045 0.000 1.171 480 G CA 0.865 45.990 45.100 0.040 0.000 0.775 480 G HN 0.238 nan 8.290 nan 0.000 0.543 481 E N 0.797 121.042 120.200 0.074 0.000 2.051 481 E HA -0.096 4.266 4.350 0.020 0.000 0.192 481 E C 2.449 179.082 176.600 0.056 0.000 0.991 481 E CA 0.963 57.416 56.400 0.088 0.000 0.799 481 E CB -0.441 29.367 29.700 0.180 0.000 0.748 481 E HN 0.515 nan 8.360 nan 0.000 0.449 482 I N 0.817 121.425 120.570 0.064 0.000 2.163 482 I HA -0.282 3.901 4.170 0.020 0.000 0.243 482 I C 2.470 178.600 176.117 0.023 0.000 1.085 482 I CA 1.244 62.564 61.300 0.033 0.000 1.347 482 I CB -0.498 37.539 38.000 0.062 0.000 1.044 482 I HN 0.226 nan 8.210 nan 0.000 0.408 483 N N 1.191 119.908 118.700 0.029 0.000 2.166 483 N HA -0.212 4.541 4.740 0.020 0.000 0.186 483 N C 1.996 177.508 175.510 0.003 0.000 1.019 483 N CA 1.341 54.402 53.050 0.020 0.000 0.856 483 N CB -0.103 38.398 38.487 0.023 0.000 0.993 483 N HN 0.296 nan 8.380 nan 0.000 0.426 484 R N 0.330 120.828 120.500 -0.005 0.000 2.073 484 R HA -0.045 4.307 4.340 0.020 0.000 0.234 484 R C 2.128 178.396 176.300 -0.055 0.000 1.134 484 R CA 1.209 57.290 56.100 -0.032 0.000 0.952 484 R CB -0.192 30.083 30.300 -0.042 0.000 0.850 484 R HN -0.017 nan 8.270 nan 0.000 0.433 485 V N 1.157 121.042 119.914 -0.048 0.000 2.261 485 V HA -0.237 3.895 4.120 0.020 0.000 0.246 485 V C 2.508 178.581 176.094 -0.035 0.000 1.047 485 V CA 1.980 64.241 62.300 -0.064 0.000 1.015 485 V CB -0.870 30.936 31.823 -0.028 0.000 0.642 485 V HN 0.582 nan 8.190 nan 0.000 0.446 486 A N -0.243 122.573 122.820 -0.008 0.000 1.917 486 A HA -0.249 4.083 4.320 0.020 0.000 0.219 486 A C 2.479 180.068 177.584 0.009 0.000 1.182 486 A CA 2.515 54.560 52.037 0.013 0.000 0.633 486 A CB -0.807 18.208 19.000 0.024 0.000 0.819 486 A HN 0.526 nan 8.150 nan 0.000 0.448 487 S N -1.326 114.373 115.700 -0.001 0.000 2.368 487 S HA -0.206 4.276 4.470 0.020 0.000 0.225 487 S C 2.045 176.641 174.600 -0.007 0.000 1.030 487 S CA 1.211 59.412 58.200 0.001 0.000 0.999 487 S CB -0.916 62.282 63.200 -0.002 0.000 0.844 487 S HN 0.806 nan 8.310 nan 0.000 0.459 488 C N 2.039 121.320 119.300 -0.033 0.000 2.429 488 C HA 0.020 4.492 4.460 0.020 0.000 0.277 488 C C 2.417 177.387 174.990 -0.034 0.000 1.262 488 C CA 0.503 59.492 59.018 -0.049 0.000 1.733 488 C CB -1.623 26.052 27.740 -0.109 0.000 2.010 488 C HN 0.562 nan 8.230 nan 0.000 0.483 489 L N 0.296 121.505 121.223 -0.022 0.000 2.046 489 L HA -0.115 4.237 4.340 0.020 0.000 0.208 489 L C 3.083 179.946 176.870 -0.011 0.000 1.077 489 L CA 1.702 56.541 54.840 -0.001 0.000 0.747 489 L CB -0.850 41.237 42.059 0.047 0.000 0.896 489 L HN 0.355 nan 8.230 nan 0.000 0.432 490 R N 0.348 120.853 120.500 0.008 0.000 2.070 490 R HA -0.209 4.143 4.340 0.020 0.000 0.233 490 R C 2.387 178.708 176.300 0.035 0.000 1.137 490 R CA 1.665 57.778 56.100 0.021 0.000 0.945 490 R CB -0.332 29.991 30.300 0.039 0.000 0.845 490 R HN 0.284 nan 8.270 nan 0.000 0.430 491 K N 0.654 121.082 120.400 0.047 0.000 2.032 491 K HA -0.174 4.158 4.320 0.020 0.000 0.209 491 K C 1.758 178.431 176.600 0.121 0.000 1.048 491 K CA 1.356 57.703 56.287 0.099 0.000 0.927 491 K CB -0.033 32.505 32.500 0.065 0.000 0.712 491 K HN 0.014 nan 8.250 nan 0.000 0.441 492 L N 0.349 121.566 121.223 -0.009 0.000 2.478 492 L HA 0.119 4.472 4.340 0.020 0.000 0.223 492 L C 1.021 177.639 176.870 -0.420 0.000 1.140 492 L CA 1.570 56.366 54.840 -0.074 0.000 0.842 492 L CB -0.172 41.865 42.059 -0.036 0.000 0.953 492 L HN 0.580 nan 8.230 nan 0.000 0.452 493 G N -0.432 107.982 108.800 -0.643 0.000 2.225 493 G HA2 -0.212 3.760 3.960 0.020 0.000 0.264 493 G HA3 -0.212 3.760 3.960 0.020 0.000 0.264 493 G C 0.065 174.795 174.900 -0.282 0.000 1.060 493 G CA 0.232 44.846 45.100 -0.811 0.000 0.833 493 G HN 0.124 nan 8.290 nan 0.000 0.498 494 V N 0.683 120.525 119.914 -0.119 0.000 2.472 494 V HA 0.478 4.610 4.120 0.020 0.000 0.290 494 V C -1.408 174.755 176.094 0.115 0.000 1.037 494 V CA -1.755 60.573 62.300 0.047 0.000 0.908 494 V CB 1.777 33.660 31.823 0.100 0.000 0.985 494 V HN 0.147 nan 8.190 nan 0.000 0.454 495 P HA 0.094 nan 4.420 nan 0.000 0.265 495 P C -2.419 175.001 177.300 0.200 0.000 1.187 495 P CA -0.574 62.547 63.100 0.036 0.000 0.766 495 P CB -0.117 31.427 31.700 -0.260 0.000 0.820 496 P HA 0.032 nan 4.420 nan 0.000 0.272 496 P C 0.895 178.372 177.300 0.295 0.000 1.240 496 P CA -0.006 63.200 63.100 0.177 0.000 0.791 496 P CB 0.795 32.554 31.700 0.098 0.000 0.978 497 L N 0.681 122.076 121.223 0.287 0.000 2.081 497 L HA -0.238 4.115 4.340 0.020 0.000 0.212 497 L C 2.938 179.969 176.870 0.267 0.000 1.080 497 L CA 2.116 57.148 54.840 0.320 0.000 0.754 497 L CB -0.943 41.211 42.059 0.158 0.000 0.893 497 L HN 0.489 nan 8.230 nan 0.000 0.433 498 R N -0.118 120.483 120.500 0.168 0.000 2.105 498 R HA -0.133 4.219 4.340 0.020 0.000 0.239 498 R C 1.964 178.342 176.300 0.129 0.000 1.135 498 R CA 1.647 57.820 56.100 0.121 0.000 0.967 498 R CB -1.106 29.266 30.300 0.120 0.000 0.861 498 R HN 0.155 nan 8.270 nan 0.000 0.442 499 V N 0.340 120.314 119.914 0.099 0.000 2.358 499 V HA -0.167 3.965 4.120 0.020 0.000 0.246 499 V C 1.948 178.001 176.094 -0.069 0.000 1.047 499 V CA 1.716 64.013 62.300 -0.005 0.000 1.035 499 V CB -0.679 31.014 31.823 -0.217 0.000 0.658 499 V HN 0.387 nan 8.190 nan 0.000 0.452 500 W N 0.246 121.629 121.300 0.138 0.000 2.374 500 W HA -0.127 4.543 4.660 0.017 0.000 0.288 500 W C 2.719 179.393 176.519 0.259 0.000 1.218 500 W CA 1.547 59.005 57.345 0.189 0.000 1.245 500 W CB -0.239 29.335 29.460 0.190 0.000 1.126 500 W HN 0.078 nan 8.180 nan 0.000 0.545 501 R N -0.411 120.321 120.500 0.387 0.000 2.081 501 R HA -0.173 4.179 4.340 0.020 0.000 0.235 501 R C 2.096 178.374 176.300 -0.038 0.000 1.131 501 R CA 1.727 57.974 56.100 0.243 0.000 0.960 501 R CB -0.598 29.754 30.300 0.085 0.000 0.856 501 R HN 0.234 nan 8.270 nan 0.000 0.436 502 H N 0.050 119.163 119.070 0.071 0.000 2.357 502 H HA -0.018 4.550 4.556 0.020 0.000 0.301 502 H C 2.166 177.467 175.328 -0.044 0.000 1.082 502 H CA 1.389 57.429 56.048 -0.013 0.000 1.342 502 H CB -0.016 29.726 29.762 -0.033 0.000 1.389 502 H HN 0.248 nan 8.280 nan 0.000 0.511 503 R N 0.447 120.995 120.500 0.079 0.000 2.096 503 R HA -0.037 4.315 4.340 0.020 0.000 0.235 503 R C 2.505 178.792 176.300 -0.021 0.000 1.127 503 R CA 0.997 57.105 56.100 0.014 0.000 0.968 503 R CB -0.160 30.136 30.300 -0.006 0.000 0.861 503 R HN 0.202 nan 8.270 nan 0.000 0.440 504 A N 1.176 124.002 122.820 0.010 0.000 1.930 504 A HA -0.147 4.186 4.320 0.020 0.000 0.217 504 A C 2.045 179.395 177.584 -0.390 0.000 1.175 504 A CA 1.055 52.952 52.037 -0.233 0.000 0.627 504 A CB -0.308 18.611 19.000 -0.135 0.000 0.815 504 A HN 0.207 nan 8.150 nan 0.000 0.443 505 R N -0.727 119.627 120.500 -0.242 0.000 2.096 505 R HA -0.105 4.247 4.340 0.020 0.000 0.235 505 R C 2.597 178.788 176.300 -0.182 0.000 1.127 505 R CA 1.480 57.455 56.100 -0.209 0.000 0.968 505 R CB -0.332 29.901 30.300 -0.111 0.000 0.861 505 R HN 0.554 nan 8.270 nan 0.000 0.440 506 S N 0.059 115.672 115.700 -0.146 0.000 2.357 506 S HA -0.071 4.411 4.470 0.020 0.000 0.221 506 S C 2.013 176.516 174.600 -0.163 0.000 1.031 506 S CA 0.970 59.097 58.200 -0.121 0.000 0.982 506 S CB -0.041 63.109 63.200 -0.083 0.000 0.853 506 S HN 0.098 nan 8.310 nan 0.000 0.458 507 V N 2.611 122.381 119.914 -0.240 0.000 2.332 507 V HA -0.157 3.976 4.120 0.020 0.000 0.248 507 V C 2.691 178.584 176.094 -0.336 0.000 1.055 507 V CA 2.262 64.389 62.300 -0.288 0.000 1.038 507 V CB -0.824 30.738 31.823 -0.435 0.000 0.651 507 V HN 0.500 nan 8.190 nan 0.000 0.450 508 R N 0.252 120.467 120.500 -0.476 0.000 2.091 508 R HA -0.194 4.158 4.340 0.020 0.000 0.238 508 R C 2.292 178.505 176.300 -0.145 0.000 1.136 508 R CA 1.814 57.730 56.100 -0.306 0.000 0.959 508 R CB -0.464 29.667 30.300 -0.282 0.000 0.856 508 R HN 0.483 nan 8.270 nan 0.000 0.437 509 A N 1.123 123.860 122.820 -0.137 0.000 1.858 509 A HA -0.175 4.158 4.320 0.020 0.000 0.216 509 A C 2.207 179.758 177.584 -0.055 0.000 1.190 509 A CA 1.612 53.599 52.037 -0.083 0.000 0.617 509 A CB -0.486 18.468 19.000 -0.077 0.000 0.827 509 A HN 0.384 nan 8.150 nan 0.000 0.443 510 R N -0.533 119.932 120.500 -0.058 0.000 2.105 510 R HA -0.067 4.285 4.340 0.020 0.000 0.239 510 R C 2.047 178.349 176.300 0.002 0.000 1.135 510 R CA 1.489 57.574 56.100 -0.025 0.000 0.967 510 R CB -0.515 29.771 30.300 -0.024 0.000 0.861 510 R HN 0.526 nan 8.270 nan 0.000 0.442 511 L N 0.219 121.444 121.223 0.004 0.000 2.056 511 L HA -0.163 4.190 4.340 0.020 0.000 0.207 511 L C 2.230 179.121 176.870 0.036 0.000 1.078 511 L CA 1.146 56.015 54.840 0.049 0.000 0.749 511 L CB -0.353 41.746 42.059 0.067 0.000 0.901 511 L HN 0.204 nan 8.230 nan 0.000 0.433 512 L N -1.174 120.054 121.223 0.008 0.000 2.131 512 L HA -0.213 4.139 4.340 0.020 0.000 0.210 512 L C 2.803 179.678 176.870 0.008 0.000 1.092 512 L CA 1.019 55.862 54.840 0.006 0.000 0.759 512 L CB -0.573 41.477 42.059 -0.015 0.000 0.903 512 L HN 0.244 nan 8.230 nan 0.000 0.435 513 S N -0.129 115.573 115.700 0.003 0.000 2.370 513 S HA -0.242 4.240 4.470 0.020 0.000 0.226 513 S C 1.846 176.455 174.600 0.015 0.000 1.033 513 S CA 1.459 59.661 58.200 0.005 0.000 1.011 513 S CB -0.098 63.102 63.200 0.001 0.000 0.852 513 S HN 0.518 nan 8.310 nan 0.000 0.457 514 Q N 0.514 120.330 119.800 0.026 0.000 2.444 514 Q HA 0.239 4.592 4.340 0.020 0.000 0.206 514 Q C 1.326 177.347 176.000 0.034 0.000 0.948 514 Q CA 0.196 56.019 55.803 0.034 0.000 0.946 514 Q CB -0.236 28.532 28.738 0.049 0.000 1.027 514 Q HN 0.646 nan 8.270 nan 0.000 0.513 515 G N 0.680 109.498 108.800 0.030 0.000 2.668 515 G HA2 -0.208 3.764 3.960 0.020 0.000 0.266 515 G HA3 -0.208 3.764 3.960 0.020 0.000 0.266 515 G C 0.526 175.448 174.900 0.037 0.000 1.328 515 G CA -0.074 45.043 45.100 0.029 0.000 0.911 515 G HN 0.739 nan 8.290 nan 0.000 0.567 516 G N -1.113 107.707 108.800 0.032 0.000 2.582 516 G HA2 -0.234 3.738 3.960 0.020 0.000 0.288 516 G HA3 -0.234 3.738 3.960 0.020 0.000 0.288 516 G C 1.045 175.968 174.900 0.039 0.000 1.247 516 G CA 1.443 46.563 45.100 0.033 0.000 0.972 516 G HN 1.475 nan 8.290 nan 0.000 0.557 517 R N 0.241 120.767 120.500 0.043 0.000 2.096 517 R HA 0.173 4.525 4.340 0.020 0.000 0.235 517 R C 3.250 179.596 176.300 0.078 0.000 1.127 517 R CA 2.172 58.301 56.100 0.048 0.000 0.968 517 R CB -0.604 29.729 30.300 0.054 0.000 0.861 517 R HN 0.743 nan 8.270 nan 0.000 0.440 518 A N 0.955 123.833 122.820 0.097 0.000 1.933 518 A HA -0.127 4.205 4.320 0.020 0.000 0.218 518 A C 2.319 179.962 177.584 0.098 0.000 1.175 518 A CA 1.720 53.836 52.037 0.132 0.000 0.628 518 A CB -0.689 18.387 19.000 0.127 0.000 0.814 518 A HN 0.401 nan 8.150 nan 0.000 0.444 519 A N -1.209 121.652 122.820 0.069 0.000 1.930 519 A HA -0.046 4.286 4.320 0.020 0.000 0.217 519 A C 2.261 179.884 177.584 0.065 0.000 1.175 519 A CA 2.132 54.201 52.037 0.054 0.000 0.627 519 A CB -1.117 17.907 19.000 0.040 0.000 0.815 519 A HN 0.413 nan 8.150 nan 0.000 0.443 520 T N -0.882 113.713 114.554 0.068 0.000 2.788 520 T HA -0.167 4.195 4.350 0.020 0.000 0.268 520 T C 1.875 176.622 174.700 0.078 0.000 1.044 520 T CA 1.508 63.663 62.100 0.092 0.000 1.139 520 T CB -0.609 68.248 68.868 -0.017 0.000 0.867 520 T HN 0.578 nan 8.240 nan 0.000 0.454 521 C N 1.262 120.579 119.300 0.028 0.000 2.429 521 C HA 0.037 4.509 4.460 0.020 0.000 0.277 521 C C 3.084 178.054 174.990 -0.033 0.000 1.262 521 C CA 0.577 59.564 59.018 -0.052 0.000 1.733 521 C CB -1.452 26.268 27.740 -0.034 0.000 2.010 521 C HN 0.719 nan 8.230 nan 0.000 0.483 522 G N -0.018 108.817 108.800 0.058 0.000 2.402 522 G HA2 -0.246 3.726 3.960 0.020 0.000 0.216 522 G HA3 -0.246 3.726 3.960 0.020 0.000 0.216 522 G C 1.642 176.577 174.900 0.057 0.000 1.162 522 G CA 1.037 46.211 45.100 0.123 0.000 0.777 522 G HN 0.635 nan 8.290 nan 0.000 0.539 523 K N -0.856 119.549 120.400 0.009 0.000 2.026 523 K HA -0.083 4.250 4.320 0.020 0.000 0.208 523 K C 2.178 178.627 176.600 -0.251 0.000 1.048 523 K CA 1.193 57.417 56.287 -0.104 0.000 0.929 523 K CB -0.239 32.203 32.500 -0.097 0.000 0.713 523 K HN 0.401 nan 8.250 nan 0.000 0.439 524 Y N 0.619 120.731 120.300 -0.314 0.000 2.262 524 Y HA 0.036 4.598 4.550 0.020 0.000 0.295 524 Y C 2.023 177.614 175.900 -0.516 0.000 1.121 524 Y CA 0.631 58.370 58.100 -0.602 0.000 1.144 524 Y CB -0.187 37.621 38.460 -1.087 0.000 1.043 524 Y HN -0.077 nan 8.280 nan 0.000 0.528 525 L N -1.617 119.434 121.223 -0.286 0.000 2.131 525 L HA -0.161 4.191 4.340 0.020 0.000 0.210 525 L C 0.753 177.327 176.870 -0.493 0.000 1.092 525 L CA 1.396 56.011 54.840 -0.374 0.000 0.759 525 L CB -0.375 41.251 42.059 -0.723 0.000 0.903 525 L HN 0.176 nan 8.230 nan 0.000 0.435 526 F N -1.521 118.371 119.950 -0.096 0.000 2.735 526 F HA 0.168 4.706 4.527 0.018 0.000 0.304 526 F C 1.572 177.058 175.800 -0.523 0.000 1.119 526 F CA -0.428 57.319 58.000 -0.421 0.000 1.280 526 F CB -0.550 38.208 39.000 -0.404 0.000 0.994 526 F HN -0.065 nan 8.300 nan 0.000 0.520 527 N N 0.927 119.547 118.700 -0.133 0.000 2.364 527 N HA -0.188 4.564 4.740 0.020 0.000 0.183 527 N C 1.983 177.462 175.510 -0.052 0.000 1.022 527 N CA 1.515 54.502 53.050 -0.105 0.000 0.883 527 N CB -0.160 38.284 38.487 -0.072 0.000 0.965 527 N HN 0.520 nan 8.380 nan 0.000 0.438 528 W N -0.742 120.599 121.300 0.068 0.000 2.465 528 W HA 0.165 4.836 4.660 0.019 0.000 0.268 528 W C 1.327 177.892 176.519 0.077 0.000 1.242 528 W CA 0.645 58.035 57.345 0.075 0.000 1.248 528 W CB -0.767 28.751 29.460 0.097 0.000 1.118 528 W HN 0.051 nan 8.180 nan 0.000 0.587 529 A N 1.653 124.047 122.820 -0.711 0.000 2.072 529 A HA 0.142 4.474 4.320 0.020 0.000 0.216 529 A C 1.172 178.597 177.584 -0.265 0.000 1.156 529 A CA 1.005 52.649 52.037 -0.656 0.000 0.701 529 A CB -0.921 17.401 19.000 -1.131 0.000 0.816 529 A HN 0.113 nan 8.150 nan 0.000 0.458 530 V N -2.055 117.737 119.914 -0.204 0.000 2.607 530 V HA 0.326 4.459 4.120 0.020 0.000 0.289 530 V C 1.093 177.149 176.094 -0.064 0.000 1.053 530 V CA -0.311 61.916 62.300 -0.121 0.000 0.996 530 V CB 1.273 33.026 31.823 -0.116 0.000 0.995 530 V HN 0.401 nan 8.190 nan 0.000 0.476 531 K N 1.964 122.336 120.400 -0.048 0.000 2.147 531 K HA -0.035 4.297 4.320 0.020 0.000 0.205 531 K C 0.641 177.221 176.600 -0.033 0.000 1.049 531 K CA 1.404 57.674 56.287 -0.028 0.000 0.936 531 K CB 0.040 32.529 32.500 -0.019 0.000 0.722 531 K HN 0.853 nan 8.250 nan 0.000 0.446 532 T N 2.248 116.778 114.554 -0.041 0.000 2.947 532 T HA 0.226 4.589 4.350 0.020 0.000 0.337 532 T C -0.949 173.721 174.700 -0.051 0.000 1.139 532 T CA -0.594 61.481 62.100 -0.042 0.000 0.992 532 T CB 1.167 70.012 68.868 -0.038 0.000 1.043 532 T HN -0.015 nan 8.240 nan 0.000 0.498 533 K N 2.462 122.832 120.400 -0.050 0.000 2.414 533 K HA 0.335 4.667 4.320 0.020 0.000 0.272 533 K C 0.148 176.708 176.600 -0.066 0.000 0.993 533 K CA -0.095 56.159 56.287 -0.056 0.000 0.964 533 K CB 0.365 32.840 32.500 -0.042 0.000 0.925 533 K HN 0.473 nan 8.250 nan 0.000 0.487 534 L N 2.277 123.446 121.223 -0.091 0.000 2.399 534 L HA 0.298 4.650 4.340 0.020 0.000 0.265 534 L C 0.222 177.025 176.870 -0.111 0.000 1.089 534 L CA -0.655 54.121 54.840 -0.106 0.000 0.802 534 L CB 1.010 42.981 42.059 -0.146 0.000 1.180 534 L HN 0.420 nan 8.230 nan 0.000 0.454 535 K N 2.462 122.804 120.400 -0.096 0.000 2.284 535 K HA 0.324 4.656 4.320 0.020 0.000 0.287 535 K C -1.143 175.386 176.600 -0.120 0.000 1.081 535 K CA -0.604 55.636 56.287 -0.077 0.000 0.910 535 K CB 0.601 33.075 32.500 -0.043 0.000 1.088 535 K HN 0.173 nan 8.250 nan 0.000 0.478 536 L N 3.326 124.467 121.223 -0.137 0.000 2.276 536 L HA 0.241 4.593 4.340 0.020 0.000 0.286 536 L C 0.629 177.511 176.870 0.020 0.000 1.061 536 L CA 0.055 54.773 54.840 -0.204 0.000 0.807 536 L CB 0.962 42.848 42.059 -0.288 0.000 1.177 536 L HN 0.656 nan 8.230 nan 0.000 0.429 537 T N 1.291 115.907 114.554 0.103 0.000 2.912 537 T HA 0.697 5.060 4.350 0.020 0.000 0.288 537 T C -2.667 172.167 174.700 0.223 0.000 1.030 537 T CA -2.426 59.759 62.100 0.142 0.000 1.020 537 T CB 1.525 70.446 68.868 0.088 0.000 1.056 537 T HN 0.239 nan 8.240 nan 0.000 0.480 538 P HA 0.065 nan 4.420 nan 0.000 0.261 538 P C -0.436 176.908 177.300 0.074 0.000 1.158 538 P CA 0.227 63.397 63.100 0.117 0.000 0.758 538 P CB 0.075 31.817 31.700 0.070 0.000 0.763 539 I N 6.455 127.025 120.570 -0.000 0.000 2.416 539 I HA 0.072 4.254 4.170 0.020 0.000 0.288 539 I C -1.138 174.949 176.117 -0.049 0.000 1.051 539 I CA -1.827 59.421 61.300 -0.086 0.000 1.375 539 I CB 1.071 38.919 38.000 -0.253 0.000 1.407 539 I HN 0.340 nan 8.210 nan 0.000 0.516 540 P HA -0.226 nan 4.420 nan 0.000 0.214 540 P C 1.394 178.673 177.300 -0.036 0.000 1.163 540 P CA 1.323 64.408 63.100 -0.024 0.000 0.889 540 P CB 0.225 31.916 31.700 -0.015 0.000 0.790 541 A N -0.500 122.291 122.820 -0.048 0.000 2.125 541 A HA -0.053 4.280 4.320 0.020 0.000 0.219 541 A C 2.222 179.769 177.584 -0.063 0.000 1.156 541 A CA 1.637 53.644 52.037 -0.051 0.000 0.671 541 A CB -1.456 17.514 19.000 -0.050 0.000 0.794 541 A HN 0.191 nan 8.150 nan 0.000 0.459 542 A N 0.715 123.493 122.820 -0.069 0.000 1.892 542 A HA -0.177 4.155 4.320 0.020 0.000 0.218 542 A C 2.444 179.981 177.584 -0.078 0.000 1.188 542 A CA 2.377 54.369 52.037 -0.075 0.000 0.631 542 A CB -1.078 17.887 19.000 -0.058 0.000 0.822 542 A HN 1.096 nan 8.150 nan 0.000 0.447 543 S N -0.790 114.874 115.700 -0.060 0.000 2.555 543 S HA -0.106 4.376 4.470 0.020 0.000 0.230 543 S C 1.564 176.126 174.600 -0.064 0.000 0.978 543 S CA 1.075 59.239 58.200 -0.059 0.000 0.934 543 S CB -0.327 62.849 63.200 -0.039 0.000 0.766 543 S HN 0.695 nan 8.310 nan 0.000 0.533 544 Q N 0.242 120.004 119.800 -0.064 0.000 2.432 544 Q HA 0.290 4.643 4.340 0.020 0.000 0.205 544 Q C -0.020 175.933 176.000 -0.079 0.000 0.945 544 Q CA 0.120 55.887 55.803 -0.059 0.000 0.924 544 Q CB -0.070 28.640 28.738 -0.047 0.000 1.016 544 Q HN 0.564 nan 8.270 nan 0.000 0.503 545 L N 1.801 122.958 121.223 -0.111 0.000 2.367 545 L HA 0.077 4.430 4.340 0.020 0.000 0.275 545 L C 0.303 177.062 176.870 -0.184 0.000 1.129 545 L CA -0.183 54.562 54.840 -0.158 0.000 0.839 545 L CB 0.466 42.392 42.059 -0.223 0.000 1.133 545 L HN 0.008 nan 8.230 nan 0.000 0.453 546 D N 4.286 124.583 120.400 -0.173 0.000 2.494 546 D HA 0.109 4.761 4.640 0.020 0.000 0.217 546 D C 0.303 176.444 176.300 -0.264 0.000 1.153 546 D CA -0.381 53.525 54.000 -0.157 0.000 0.954 546 D CB 1.043 41.794 40.800 -0.082 0.000 1.034 546 D HN 0.302 nan 8.370 nan 0.000 0.518 547 L N 2.478 123.477 121.223 -0.373 0.000 2.611 547 L HA 0.045 4.397 4.340 0.020 0.000 0.229 547 L C 1.111 177.834 176.870 -0.246 0.000 1.137 547 L CA 0.080 54.536 54.840 -0.641 0.000 0.901 547 L CB -0.693 40.928 42.059 -0.731 0.000 1.098 547 L HN 0.252 nan 8.230 nan 0.000 0.456 548 S N -0.320 115.316 115.700 -0.107 0.000 2.525 548 S HA 0.431 4.913 4.470 0.020 0.000 0.285 548 S C 1.328 175.959 174.600 0.051 0.000 1.283 548 S CA 0.197 58.391 58.200 -0.011 0.000 1.072 548 S CB 0.646 63.838 63.200 -0.014 0.000 0.867 548 S HN 0.582 nan 8.310 nan 0.000 0.492 549 G N 2.754 111.610 108.800 0.094 0.000 2.195 549 G HA2 -0.224 3.748 3.960 0.020 0.000 0.224 549 G HA3 -0.224 3.748 3.960 0.020 0.000 0.224 549 G C 0.420 175.421 174.900 0.168 0.000 0.990 549 G CA 0.124 45.286 45.100 0.104 0.000 0.639 549 G HN 0.667 nan 8.290 nan 0.000 0.514 550 W N 0.207 121.382 121.300 -0.209 0.000 2.409 550 W HA 0.492 5.163 4.660 0.018 0.000 0.299 550 W C 0.973 177.058 176.519 -0.723 0.000 1.203 550 W CA 1.156 58.162 57.345 -0.566 0.000 1.298 550 W CB -0.174 28.772 29.460 -0.857 0.000 1.127 550 W HN 0.175 nan 8.180 nan 0.000 0.528 551 F N -0.510 119.610 119.950 0.283 0.000 2.531 551 F HA 0.309 4.848 4.527 0.021 0.000 0.333 551 F C 0.447 176.377 175.800 0.216 0.000 1.292 551 F CA -0.528 57.640 58.000 0.281 0.000 1.184 551 F CB 0.027 39.154 39.000 0.212 0.000 1.426 551 F HN -0.399 nan 8.300 nan 0.000 0.559 552 V N 0.008 120.116 119.914 0.323 0.000 2.996 552 V HA 0.624 4.756 4.120 0.020 0.000 0.235 552 V C 0.805 177.043 176.094 0.241 0.000 1.205 552 V CA 0.578 63.014 62.300 0.227 0.000 1.225 552 V CB 0.539 32.468 31.823 0.177 0.000 0.995 552 V HN 0.432 nan 8.190 nan 0.000 0.484 553 A N -0.576 122.345 122.820 0.169 0.000 2.593 553 A HA 0.798 5.130 4.320 0.020 0.000 0.290 553 A C -0.257 177.021 177.584 -0.510 0.000 1.126 553 A CA 0.077 52.081 52.037 -0.056 0.000 0.695 553 A CB 1.154 19.968 19.000 -0.310 0.000 1.290 553 A HN 0.398 nan 8.150 nan 0.000 0.414 554 G N -1.362 106.862 108.800 -0.959 0.000 2.400 554 G HA2 0.537 4.510 3.960 0.020 0.000 0.301 554 G HA3 0.537 4.510 3.960 0.020 0.000 0.301 554 G C -0.881 173.377 174.900 -1.070 0.000 1.154 554 G CA -0.071 44.095 45.100 -1.556 0.000 0.852 554 G HN 0.603 nan 8.290 nan 0.000 0.511 555 Y N 0.486 120.581 120.300 -0.340 0.000 2.809 555 Y HA 0.285 4.848 4.550 0.021 0.000 0.251 555 Y C 1.329 177.163 175.900 -0.111 0.000 1.136 555 Y CA -0.827 57.180 58.100 -0.155 0.000 1.185 555 Y CB 0.450 38.867 38.460 -0.072 0.000 1.260 555 Y HN 0.510 nan 8.280 nan 0.000 0.576 556 S N 0.867 116.545 115.700 -0.036 0.000 2.596 556 S HA 0.289 4.771 4.470 0.020 0.000 0.298 556 S C 1.471 176.095 174.600 0.040 0.000 1.255 556 S CA 1.568 59.778 58.200 0.016 0.000 1.083 556 S CB -0.110 63.099 63.200 0.015 0.000 0.837 556 S HN 1.068 nan 8.310 nan 0.000 0.499 557 G N 3.645 112.471 108.800 0.044 0.000 2.184 557 G HA2 -0.239 3.733 3.960 0.020 0.000 0.264 557 G HA3 -0.239 3.733 3.960 0.020 0.000 0.264 557 G C 0.882 175.817 174.900 0.058 0.000 0.975 557 G CA 0.411 45.540 45.100 0.049 0.000 0.642 557 G HN 1.349 nan 8.290 nan 0.000 0.536 558 G N -0.056 108.786 108.800 0.071 0.000 2.920 558 G HA2 0.345 4.317 3.960 0.020 0.000 0.208 558 G HA3 0.345 4.317 3.960 0.020 0.000 0.208 558 G C 0.542 175.466 174.900 0.039 0.000 1.159 558 G CA 1.162 46.320 45.100 0.096 0.000 0.784 558 G HN 1.347 nan 8.290 nan 0.000 0.535 559 D N -0.661 119.729 120.400 -0.016 0.000 2.699 559 D HA -0.161 4.491 4.640 0.020 0.000 0.239 559 D C -0.096 176.131 176.300 -0.122 0.000 1.136 559 D CA 0.310 54.270 54.000 -0.068 0.000 0.668 559 D CB -1.179 39.597 40.800 -0.041 0.000 1.060 559 D HN 0.108 nan 8.370 nan 0.000 0.429 560 I N 1.143 121.603 120.570 -0.182 0.000 2.460 560 I HA 0.464 4.646 4.170 0.020 0.000 0.298 560 I C 0.079 175.950 176.117 -0.409 0.000 0.989 560 I CA -0.732 60.351 61.300 -0.361 0.000 1.173 560 I CB 1.274 38.942 38.000 -0.555 0.000 1.338 560 I HN 0.131 nan 8.210 nan 0.000 0.456 561 Y N 5.328 125.211 120.300 -0.695 0.000 2.545 561 Y HA 0.484 5.045 4.550 0.019 0.000 0.348 561 Y C -0.219 175.148 175.900 -0.888 0.000 1.002 561 Y CA -0.218 57.483 58.100 -0.665 0.000 1.039 561 Y CB 1.837 40.045 38.460 -0.420 0.000 1.271 561 Y HN 0.587 nan 8.280 nan 0.000 0.467 562 H N 1.633 119.928 119.070 -1.292 0.000 4.628 562 H HA 0.360 4.927 4.556 0.020 0.000 0.104 562 H C 0.030 174.799 175.328 -0.932 0.000 1.244 562 H CA 1.415 56.921 56.048 -0.905 0.000 0.821 562 H CB 0.421 29.776 29.762 -0.678 0.000 1.330 562 H HN 0.716 nan 8.280 nan 0.000 0.172 563 S N 0.000 115.432 115.700 -0.446 0.000 2.498 563 S HA 0.000 4.482 4.470 0.020 0.000 0.327 563 S CA 0.000 58.095 58.200 -0.175 0.000 1.107 563 S CB 0.000 63.047 63.200 -0.255 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517