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 2jc1_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ 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 KTXXXLTPIX XXXXXXXXXW 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 0.000 174.576 174.600 -0.040 0.000 1.055 1 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 1 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 2 M N 4.007 123.575 119.600 -0.054 0.000 2.228 2 M HA 0.231 4.710 4.480 -0.001 0.000 0.351 2 M C 1.936 178.127 176.300 -0.182 0.000 1.233 2 M CA 0.061 55.314 55.300 -0.078 0.000 1.129 2 M CB 0.507 33.078 32.600 -0.049 0.000 1.604 2 M HN 0.868 nan 8.290 nan 0.000 0.457 3 S N 2.427 117.952 115.700 -0.292 0.000 2.400 3 S HA -0.098 4.371 4.470 -0.001 0.000 0.232 3 S C 0.060 174.244 174.600 -0.694 0.000 1.025 3 S CA 0.999 58.896 58.200 -0.504 0.000 0.993 3 S CB -0.242 62.577 63.200 -0.635 0.000 0.808 3 S HN 0.654 nan 8.310 nan 0.000 0.478 4 Y N 0.572 120.698 120.300 -0.290 0.000 2.571 4 Y HA 0.540 5.089 4.550 -0.002 0.000 0.341 4 Y C -0.115 175.461 175.900 -0.541 0.000 1.076 4 Y CA -0.949 56.845 58.100 -0.511 0.000 1.029 4 Y CB 1.888 39.863 38.460 -0.808 0.000 1.308 4 Y HN 0.117 nan 8.280 nan 0.000 0.461 5 T N -2.325 111.961 114.554 -0.446 0.000 2.887 5 T HA 0.719 5.068 4.350 -0.001 0.000 0.288 5 T C -1.337 173.060 174.700 -0.505 0.000 1.021 5 T CA -0.815 61.076 62.100 -0.347 0.000 1.000 5 T CB 1.299 70.096 68.868 -0.119 0.000 1.034 5 T HN 0.545 nan 8.240 nan 0.000 0.467 6 W N 0.855 122.209 121.300 0.090 0.000 2.736 6 W HA 0.466 5.125 4.660 -0.002 0.000 0.335 6 W C 1.391 177.939 176.519 0.049 0.000 1.059 6 W CA -0.846 56.536 57.345 0.062 0.000 1.226 6 W CB 2.124 31.605 29.460 0.034 0.000 1.416 6 W HN 0.914 nan 8.180 nan 0.000 0.505 7 T N -2.056 112.677 114.554 0.297 0.000 3.067 7 T HA 0.277 4.626 4.350 -0.001 0.000 0.257 7 T C 1.512 176.298 174.700 0.144 0.000 1.105 7 T CA 0.902 63.106 62.100 0.174 0.000 1.104 7 T CB -0.012 68.935 68.868 0.133 0.000 0.925 7 T HN 1.192 nan 8.240 nan 0.000 0.498 8 G N 1.378 110.272 108.800 0.157 0.000 2.254 8 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.225 8 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.225 8 G C 0.409 175.338 174.900 0.048 0.000 1.003 8 G CA -0.130 45.016 45.100 0.076 0.000 0.622 8 G HN 1.173 nan 8.290 nan 0.000 0.507 9 A N 1.050 123.912 122.820 0.070 0.000 2.498 9 A HA 0.611 4.931 4.320 -0.001 0.000 0.239 9 A C 0.825 178.424 177.584 0.024 0.000 1.068 9 A CA 0.231 52.297 52.037 0.047 0.000 0.766 9 A CB 0.164 19.200 19.000 0.060 0.000 1.003 9 A HN 0.903 nan 8.150 nan 0.000 0.497 10 L N 1.975 123.199 121.223 0.002 0.000 2.418 10 L HA 0.267 4.606 4.340 -0.001 0.000 0.265 10 L C 0.065 176.924 176.870 -0.017 0.000 1.143 10 L CA -0.276 54.548 54.840 -0.027 0.000 0.809 10 L CB 0.668 42.714 42.059 -0.022 0.000 1.124 10 L HN 0.557 nan 8.230 nan 0.000 0.456 11 I N 1.766 122.310 120.570 -0.044 0.000 2.379 11 I HA 0.086 4.255 4.170 -0.001 0.000 0.290 11 I C 0.451 176.565 176.117 -0.005 0.000 1.063 11 I CA -0.018 61.270 61.300 -0.020 0.000 1.351 11 I CB 0.773 38.746 38.000 -0.045 0.000 1.410 11 I HN 0.644 nan 8.210 nan 0.000 0.505 12 T N 4.945 119.506 114.554 0.012 0.000 2.895 12 T HA 0.572 4.921 4.350 -0.001 0.000 0.283 12 T C -2.420 172.297 174.700 0.030 0.000 1.014 12 T CA -2.054 60.056 62.100 0.017 0.000 1.037 12 T CB 1.739 70.616 68.868 0.016 0.000 1.006 12 T HN 0.260 nan 8.240 nan 0.000 0.468 13 P HA 0.278 nan 4.420 nan 0.000 0.276 13 P C 0.154 177.479 177.300 0.043 0.000 1.261 13 P CA -0.698 62.427 63.100 0.042 0.000 0.800 13 P CB 0.961 32.686 31.700 0.042 0.000 1.066 14 C N -0.111 119.220 119.300 0.050 0.000 2.865 14 C HA 0.658 5.118 4.460 -0.001 0.000 0.280 14 C C 0.718 175.733 174.990 0.043 0.000 1.255 14 C CA 0.831 59.879 59.018 0.050 0.000 1.705 14 C CB -1.192 26.586 27.740 0.063 0.000 2.080 14 C HN 0.759 nan 8.230 nan 0.000 0.591 15 A N -0.540 122.307 122.820 0.045 0.000 2.483 15 A HA 0.648 4.967 4.320 -0.001 0.000 0.294 15 A C -0.616 176.998 177.584 0.050 0.000 1.077 15 A CA 0.123 52.186 52.037 0.044 0.000 0.633 15 A CB -0.539 18.488 19.000 0.046 0.000 1.318 15 A HN 1.150 nan 8.150 nan 0.000 0.455 16 A N 0.068 122.919 122.820 0.052 0.000 2.587 16 A HA 0.447 4.766 4.320 -0.001 0.000 0.235 16 A C 0.098 177.729 177.584 0.079 0.000 1.044 16 A CA 0.993 53.067 52.037 0.061 0.000 0.754 16 A CB -0.413 18.622 19.000 0.059 0.000 0.968 16 A HN 0.588 nan 8.150 nan 0.000 0.509 17 E N 1.504 121.756 120.200 0.086 0.000 2.210 17 E HA 0.363 4.712 4.350 -0.001 0.000 0.266 17 E C -1.006 175.678 176.600 0.141 0.000 0.883 17 E CA -0.439 56.027 56.400 0.110 0.000 0.761 17 E CB 1.746 31.501 29.700 0.091 0.000 1.156 17 E HN 0.775 nan 8.360 nan 0.000 0.412 18 E N 0.951 121.280 120.200 0.214 0.000 2.179 18 E HA 0.192 4.541 4.350 -0.001 0.000 0.275 18 E C 0.123 176.949 176.600 0.376 0.000 0.945 18 E CA -0.269 56.294 56.400 0.272 0.000 0.792 18 E CB 1.571 31.456 29.700 0.309 0.000 1.125 18 E HN 0.526 nan 8.360 nan 0.000 0.397 19 S N 2.369 118.263 115.700 0.323 0.000 2.527 19 S HA 0.014 4.483 4.470 -0.001 0.000 0.227 19 S C 0.764 175.634 174.600 0.451 0.000 1.059 19 S CA -0.111 58.304 58.200 0.359 0.000 0.919 19 S CB 0.144 63.489 63.200 0.241 0.000 0.805 19 S HN 0.356 nan 8.310 nan 0.000 0.500 20 K N 1.675 122.261 120.400 0.309 0.000 2.249 20 K HA 0.316 4.636 4.320 -0.001 0.000 0.280 20 K C -0.496 176.152 176.600 0.081 0.000 1.033 20 K CA -0.804 55.610 56.287 0.212 0.000 0.946 20 K CB 0.568 33.129 32.500 0.102 0.000 1.005 20 K HN 0.215 nan 8.250 nan 0.000 0.469 21 L N 7.122 128.395 121.223 0.083 0.000 2.615 21 L HA 0.103 4.443 4.340 -0.001 0.000 0.271 21 L C -2.312 174.306 176.870 -0.420 0.000 1.183 21 L CA -0.732 53.979 54.840 -0.215 0.000 0.933 21 L CB 0.032 42.115 42.059 0.040 0.000 1.199 21 L HN 0.587 nan 8.230 nan 0.000 0.487 22 P HA 0.181 nan 4.420 nan 0.000 0.268 22 P C -0.968 176.098 177.300 -0.391 0.000 1.205 22 P CA 0.011 62.801 63.100 -0.516 0.000 0.771 22 P CB 0.543 31.864 31.700 -0.632 0.000 0.858 23 I N 2.794 123.189 120.570 -0.292 0.000 2.509 23 I HA 0.397 4.567 4.170 -0.001 0.000 0.293 23 I C 0.372 176.379 176.117 -0.183 0.000 1.020 23 I CA -0.653 60.483 61.300 -0.272 0.000 1.088 23 I CB 1.609 39.432 38.000 -0.294 0.000 1.267 23 I HN 0.488 nan 8.210 nan 0.000 0.430 24 N N 3.818 122.429 118.700 -0.150 0.000 3.343 24 N HA 0.438 5.177 4.740 -0.001 0.000 0.330 24 N C 0.418 175.886 175.510 -0.071 0.000 1.560 24 N CA -0.413 52.576 53.050 -0.101 0.000 0.752 24 N CB 0.486 38.914 38.487 -0.097 0.000 1.863 24 N HN 0.394 nan 8.380 nan 0.000 0.636 25 A N -0.616 122.173 122.820 -0.051 0.000 2.125 25 A HA 0.075 4.394 4.320 -0.001 0.000 0.219 25 A C 1.652 179.221 177.584 -0.024 0.000 1.156 25 A CA 1.019 53.036 52.037 -0.034 0.000 0.671 25 A CB -0.979 18.003 19.000 -0.030 0.000 0.794 25 A HN 0.535 nan 8.150 nan 0.000 0.459 26 L N -1.509 119.697 121.223 -0.027 0.000 2.554 26 L HA 0.056 4.395 4.340 -0.001 0.000 0.225 26 L C 2.414 179.314 176.870 0.049 0.000 1.104 26 L CA 0.427 55.270 54.840 0.005 0.000 0.866 26 L CB -0.087 41.956 42.059 -0.027 0.000 1.047 26 L HN 0.189 nan 8.230 nan 0.000 0.468 27 S N 0.711 116.411 115.700 0.001 0.000 2.353 27 S HA -0.156 4.314 4.470 -0.001 0.000 0.222 27 S C 1.709 176.353 174.600 0.073 0.000 1.035 27 S CA 1.571 59.769 58.200 -0.004 0.000 1.025 27 S CB -0.275 62.842 63.200 -0.139 0.000 0.902 27 S HN 0.463 nan 8.310 nan 0.000 0.440 28 N N 1.514 120.270 118.700 0.093 0.000 2.381 28 N HA -0.050 4.689 4.740 -0.001 0.000 0.182 28 N C 1.877 177.417 175.510 0.050 0.000 1.025 28 N CA 1.181 54.304 53.050 0.121 0.000 0.888 28 N CB -0.492 38.056 38.487 0.101 0.000 0.965 28 N HN 0.583 nan 8.380 nan 0.000 0.438 29 S N -0.103 115.622 115.700 0.041 0.000 2.423 29 S HA -0.064 4.405 4.470 -0.001 0.000 0.231 29 S C 1.822 176.445 174.600 0.038 0.000 1.014 29 S CA 0.502 58.708 58.200 0.010 0.000 0.965 29 S CB -0.195 63.033 63.200 0.047 0.000 0.785 29 S HN 0.221 nan 8.310 nan 0.000 0.495 30 L N -0.085 121.169 121.223 0.052 0.000 2.286 30 L HA 0.591 4.930 4.340 -0.001 0.000 0.203 30 L C 0.174 177.091 176.870 0.078 0.000 1.068 30 L CA 0.888 55.748 54.840 0.034 0.000 0.811 30 L CB 0.171 42.011 42.059 -0.364 0.000 0.989 30 L HN 0.505 nan 8.230 nan 0.000 0.467 31 L N -0.857 120.401 121.223 0.059 0.000 2.614 31 L HA 0.354 4.693 4.340 -0.001 0.000 0.264 31 L C 0.271 177.177 176.870 0.059 0.000 0.940 31 L CA -0.312 54.556 54.840 0.046 0.000 0.903 31 L CB 1.424 43.533 42.059 0.083 0.000 1.306 31 L HN -0.011 nan 8.230 nan 0.000 0.410 32 R N 1.308 121.722 120.500 -0.144 0.000 2.206 32 R HA 0.184 4.523 4.340 -0.001 0.000 0.198 32 R C -0.058 175.965 176.300 -0.462 0.000 0.986 32 R CA 0.165 56.084 56.100 -0.302 0.000 1.029 32 R CB 0.188 30.364 30.300 -0.207 0.000 0.966 32 R HN 0.629 nan 8.270 nan 0.000 0.487 33 H N 0.636 119.573 119.070 -0.221 0.000 2.855 33 H HA 0.091 4.646 4.556 -0.002 0.000 0.238 33 H C 0.390 175.684 175.328 -0.056 0.000 1.847 33 H CA -0.357 55.595 56.048 -0.160 0.000 1.368 33 H CB 0.034 29.767 29.762 -0.049 0.000 1.758 33 H HN 0.330 nan 8.280 nan 0.000 0.546 34 H N 0.594 119.754 119.070 0.151 0.000 2.387 34 H HA -0.122 4.433 4.556 -0.001 0.000 0.299 34 H C 1.486 176.891 175.328 0.128 0.000 1.090 34 H CA 0.575 56.690 56.048 0.111 0.000 1.332 34 H CB 0.302 30.105 29.762 0.068 0.000 1.386 34 H HN 0.500 nan 8.280 nan 0.000 0.516 35 N N 0.446 119.268 118.700 0.204 0.000 2.573 35 N HA -0.070 4.669 4.740 -0.001 0.000 0.187 35 N C 1.236 176.849 175.510 0.171 0.000 1.107 35 N CA 0.786 53.933 53.050 0.162 0.000 0.918 35 N CB 0.045 38.589 38.487 0.096 0.000 0.966 35 N HN 0.503 nan 8.380 nan 0.000 0.448 36 M N -0.117 119.596 119.600 0.189 0.000 2.541 36 M HA 0.062 4.541 4.480 -0.001 0.000 0.252 36 M C 0.007 176.471 176.300 0.275 0.000 1.125 36 M CA 0.367 55.789 55.300 0.202 0.000 1.091 36 M CB 0.630 33.334 32.600 0.173 0.000 1.420 36 M HN -0.247 nan 8.290 nan 0.000 0.486 37 V N 1.164 121.250 119.914 0.286 0.000 2.427 37 V HA 0.317 4.436 4.120 -0.001 0.000 0.286 37 V C -0.770 175.571 176.094 0.413 0.000 1.034 37 V CA -0.742 61.737 62.300 0.299 0.000 0.893 37 V CB 0.586 32.571 31.823 0.271 0.000 0.982 37 V HN 0.296 nan 8.190 nan 0.000 0.452 38 Y N 2.573 123.025 120.300 0.252 0.000 2.615 38 Y HA 0.925 5.474 4.550 -0.002 0.000 0.341 38 Y C -0.384 175.608 175.900 0.153 0.000 1.089 38 Y CA -1.538 56.719 58.100 0.261 0.000 1.049 38 Y CB 1.593 40.166 38.460 0.189 0.000 1.296 38 Y HN 0.688 nan 8.280 nan 0.000 0.470 39 A N 1.498 124.412 122.820 0.156 0.000 2.337 39 A HA 0.653 4.972 4.320 -0.001 0.000 0.329 39 A C -0.005 177.703 177.584 0.206 0.000 1.146 39 A CA -0.356 51.597 52.037 -0.141 0.000 0.800 39 A CB 0.349 19.024 19.000 -0.542 0.000 1.220 39 A HN 1.088 nan 8.150 nan 0.000 0.472 40 T N 0.161 114.827 114.554 0.186 0.000 2.900 40 T HA 0.520 4.869 4.350 -0.001 0.000 0.307 40 T C 0.420 175.194 174.700 0.124 0.000 1.065 40 T CA 0.474 62.714 62.100 0.232 0.000 1.105 40 T CB 0.555 69.566 68.868 0.238 0.000 0.979 40 T HN 1.478 nan 8.240 nan 0.000 0.544 41 T N -1.944 112.679 114.554 0.114 0.000 2.838 41 T HA 0.492 4.841 4.350 -0.001 0.000 0.292 41 T C 1.396 176.131 174.700 0.059 0.000 1.113 41 T CA -0.250 61.899 62.100 0.081 0.000 1.008 41 T CB 1.216 70.136 68.868 0.087 0.000 1.259 41 T HN 0.766 nan 8.240 nan 0.000 0.520 42 S N 0.127 115.854 115.700 0.046 0.000 2.442 42 S HA -0.138 4.331 4.470 -0.001 0.000 0.236 42 S C 1.827 176.433 174.600 0.010 0.000 1.007 42 S CA 0.472 58.687 58.200 0.025 0.000 0.965 42 S CB -0.754 62.460 63.200 0.023 0.000 0.773 42 S HN 0.712 nan 8.310 nan 0.000 0.504 43 R N 1.559 122.072 120.500 0.021 0.000 2.185 43 R HA -0.095 4.245 4.340 -0.001 0.000 0.247 43 R C 2.234 178.530 176.300 -0.005 0.000 1.159 43 R CA 1.648 57.754 56.100 0.010 0.000 0.988 43 R CB -0.629 29.684 30.300 0.022 0.000 0.871 43 R HN 0.760 nan 8.270 nan 0.000 0.458 44 S N -1.018 114.683 115.700 0.001 0.000 2.540 44 S HA 0.256 4.725 4.470 -0.001 0.000 0.218 44 S C 1.744 176.321 174.600 -0.038 0.000 0.977 44 S CA 0.149 58.341 58.200 -0.014 0.000 0.918 44 S CB 0.903 64.106 63.200 0.005 0.000 0.806 44 S HN 0.280 nan 8.310 nan 0.000 0.496 45 A N 2.173 124.964 122.820 -0.049 0.000 1.940 45 A HA 0.083 4.402 4.320 -0.001 0.000 0.219 45 A C 2.621 180.104 177.584 -0.167 0.000 1.176 45 A CA 2.030 54.013 52.037 -0.090 0.000 0.631 45 A CB -1.713 17.236 19.000 -0.085 0.000 0.814 45 A HN 0.837 nan 8.150 nan 0.000 0.446 46 S N -0.202 115.400 115.700 -0.163 0.000 2.380 46 S HA -0.169 4.301 4.470 -0.001 0.000 0.229 46 S C 2.015 176.511 174.600 -0.173 0.000 1.043 46 S CA 1.742 59.822 58.200 -0.201 0.000 1.038 46 S CB -0.480 nan 63.200 nan 0.000 0.872 46 S HN 0.473 nan 8.310 nan 0.000 0.456 47 L N -0.222 120.936 121.223 -0.108 0.000 2.072 47 L HA -0.098 4.241 4.340 -0.001 0.000 0.205 47 L C 2.781 179.611 176.870 -0.066 0.000 1.079 47 L CA 1.384 56.180 54.840 -0.072 0.000 0.752 47 L CB -0.160 41.872 42.059 -0.045 0.000 0.906 47 L HN 0.398 nan 8.230 nan 0.000 0.436 48 R N 0.240 120.697 120.500 -0.072 0.000 2.091 48 R HA -0.207 4.133 4.340 -0.001 0.000 0.238 48 R C 2.187 178.439 176.300 -0.079 0.000 1.136 48 R CA 1.711 57.784 56.100 -0.045 0.000 0.959 48 R CB -0.470 29.809 30.300 -0.035 0.000 0.856 48 R HN 0.413 nan 8.270 nan 0.000 0.437 49 Q N -0.129 119.533 119.800 -0.231 0.000 2.077 49 Q HA -0.231 4.108 4.340 -0.001 0.000 0.206 49 Q C 1.977 177.903 176.000 -0.123 0.000 0.989 49 Q CA 2.120 57.680 55.803 -0.406 0.000 0.853 49 Q CB -0.145 28.006 28.738 -0.978 0.000 0.907 49 Q HN 0.114 nan 8.270 nan 0.000 0.418 50 K N 0.971 121.314 120.400 -0.096 0.000 2.020 50 K HA -0.172 4.147 4.320 -0.001 0.000 0.212 50 K C 1.863 178.542 176.600 0.132 0.000 1.050 50 K CA 1.612 57.919 56.287 0.033 0.000 0.929 50 K CB -0.072 32.431 32.500 0.005 0.000 0.714 50 K HN 0.107 nan 8.250 nan 0.000 0.443 51 K N 0.040 120.507 120.400 0.112 0.000 2.097 51 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 51 K C 1.817 178.615 176.600 0.330 0.000 1.049 51 K CA 1.598 57.993 56.287 0.179 0.000 0.933 51 K CB -0.186 32.386 32.500 0.121 0.000 0.717 51 K HN 0.203 nan 8.250 nan 0.000 0.442 52 V N -1.386 118.698 119.914 0.284 0.000 3.623 52 V HA 0.043 4.162 4.120 -0.001 0.000 0.271 52 V C 0.411 176.651 176.094 0.243 0.000 1.248 52 V CA 0.312 62.810 62.300 0.331 0.000 1.156 52 V CB -0.134 31.840 31.823 0.253 0.000 0.870 52 V HN -0.026 nan 8.190 nan 0.000 0.453 53 T N 4.129 118.881 114.554 0.329 0.000 2.770 53 T HA 0.732 5.081 4.350 -0.001 0.000 0.297 53 T C -0.784 174.085 174.700 0.281 0.000 0.997 53 T CA -0.051 62.218 62.100 0.282 0.000 0.949 53 T CB 0.442 69.609 68.868 0.499 0.000 0.941 53 T HN 0.628 nan 8.240 nan 0.000 0.457 54 F N -0.060 119.996 119.950 0.176 0.000 2.807 54 F HA 0.637 5.164 4.527 -0.000 0.000 0.316 54 F C -1.176 174.662 175.800 0.063 0.000 1.162 54 F CA -1.681 56.383 58.000 0.106 0.000 0.910 54 F CB 0.603 39.657 39.000 0.090 0.000 1.314 54 F HN 0.226 nan 8.300 nan 0.000 0.454 55 D N 0.620 121.218 120.400 0.329 0.000 2.302 55 D HA 0.493 5.133 4.640 -0.001 0.000 0.248 55 D C -0.918 175.536 176.300 0.258 0.000 1.094 55 D CA 0.007 54.118 54.000 0.185 0.000 0.897 55 D CB 0.887 41.762 40.800 0.125 0.000 1.200 55 D HN 0.567 nan 8.370 nan 0.000 0.429 56 R N 2.422 123.007 120.500 0.141 0.000 2.387 56 R HA 0.548 4.887 4.340 -0.001 0.000 0.314 56 R C -1.023 175.312 176.300 0.058 0.000 0.958 56 R CA -0.726 55.451 56.100 0.129 0.000 0.846 56 R CB 1.031 31.380 30.300 0.081 0.000 1.147 56 R HN 0.304 nan 8.270 nan 0.000 0.447 57 L N 2.112 123.363 121.223 0.047 0.000 2.329 57 L HA 0.495 4.834 4.340 -0.001 0.000 0.279 57 L C -0.423 176.448 176.870 0.002 0.000 1.014 57 L CA -0.210 54.639 54.840 0.015 0.000 0.814 57 L CB 1.778 43.843 42.059 0.010 0.000 1.257 57 L HN 0.526 nan 8.230 nan 0.000 0.424 58 Q N 1.863 121.653 119.800 -0.016 0.000 2.321 58 Q HA 0.665 5.004 4.340 -0.001 0.000 0.270 58 Q C -1.590 174.385 176.000 -0.043 0.000 1.032 58 Q CA -0.550 55.234 55.803 -0.031 0.000 0.784 58 Q CB 2.984 31.687 28.738 -0.059 0.000 1.264 58 Q HN 0.376 nan 8.270 nan 0.000 0.448 59 V N 5.104 124.999 119.914 -0.033 0.000 2.376 59 V HA 0.437 4.556 4.120 -0.001 0.000 0.287 59 V C -0.706 175.386 176.094 -0.004 0.000 1.015 59 V CA -0.526 61.755 62.300 -0.032 0.000 0.834 59 V CB 1.389 33.191 31.823 -0.035 0.000 1.001 59 V HN 0.628 nan 8.190 nan 0.000 0.428 60 L N 5.770 126.958 121.223 -0.059 0.000 2.305 60 L HA 0.651 4.990 4.340 -0.001 0.000 0.284 60 L C -0.294 176.590 176.870 0.024 0.000 1.013 60 L CA -0.586 54.183 54.840 -0.119 0.000 0.819 60 L CB 1.719 43.530 42.059 -0.414 0.000 1.227 60 L HN 0.676 nan 8.230 nan 0.000 0.417 61 D N 0.412 120.903 120.400 0.151 0.000 2.592 61 D HA 0.166 4.805 4.640 -0.001 0.000 0.259 61 D C 0.207 176.581 176.300 0.123 0.000 1.144 61 D CA -0.608 53.464 54.000 0.119 0.000 1.080 61 D CB 0.928 41.805 40.800 0.128 0.000 1.225 61 D HN 0.294 nan 8.370 nan 0.000 0.619 62 D N -1.048 119.361 120.400 0.015 0.000 2.144 62 D HA -0.152 4.487 4.640 -0.001 0.000 0.200 62 D C 1.793 178.102 176.300 0.015 0.000 0.978 62 D CA 1.118 55.105 54.000 -0.022 0.000 0.833 62 D CB -0.200 40.537 40.800 -0.105 0.000 0.961 62 D HN 0.427 nan 8.370 nan 0.000 0.470 63 H N -0.191 118.945 119.070 0.110 0.000 2.353 63 H HA -0.183 4.372 4.556 -0.002 0.000 0.298 63 H C 2.051 177.424 175.328 0.074 0.000 1.103 63 H CA 1.095 57.201 56.048 0.098 0.000 1.293 63 H CB -0.742 29.103 29.762 0.138 0.000 1.372 63 H HN 0.344 nan 8.280 nan 0.000 0.501 64 Y N 1.782 122.125 120.300 0.071 0.000 2.145 64 Y HA -0.197 4.352 4.550 -0.002 0.000 0.286 64 Y C 2.701 178.553 175.900 -0.080 0.000 1.145 64 Y CA 1.551 59.565 58.100 -0.143 0.000 1.148 64 Y CB -0.095 38.176 38.460 -0.315 0.000 0.981 64 Y HN -0.055 nan 8.280 nan 0.000 0.507 65 R N 0.123 120.677 120.500 0.090 0.000 2.092 65 R HA -0.143 4.196 4.340 -0.001 0.000 0.231 65 R C 1.757 178.023 176.300 -0.056 0.000 1.119 65 R CA 1.427 57.523 56.100 -0.006 0.000 0.970 65 R CB -0.292 30.052 30.300 0.073 0.000 0.864 65 R HN 0.429 nan 8.270 nan 0.000 0.440 66 D N 0.124 120.518 120.400 -0.010 0.000 2.097 66 D HA -0.127 4.512 4.640 -0.001 0.000 0.195 66 D C 1.982 178.266 176.300 -0.028 0.000 0.989 66 D CA 1.115 55.115 54.000 0.000 0.000 0.827 66 D CB -0.262 40.568 40.800 0.051 0.000 0.966 66 D HN 0.003 nan 8.370 nan 0.000 0.456 67 V N 1.222 121.103 119.914 -0.055 0.000 2.343 67 V HA -0.211 3.908 4.120 -0.001 0.000 0.247 67 V C 2.487 178.519 176.094 -0.102 0.000 1.051 67 V CA 1.023 63.280 62.300 -0.071 0.000 1.036 67 V CB -0.496 31.263 31.823 -0.107 0.000 0.654 67 V HN 0.124 nan 8.190 nan 0.000 0.451 68 L N 0.640 121.733 121.223 -0.217 0.000 2.012 68 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 68 L C 2.451 179.254 176.870 -0.113 0.000 1.073 68 L CA 2.370 57.079 54.840 -0.218 0.000 0.748 68 L CB -0.874 40.982 42.059 -0.339 0.000 0.891 68 L HN 0.315 nan 8.230 nan 0.000 0.431 69 K N -0.522 119.828 120.400 -0.083 0.000 2.063 69 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 69 K C 1.916 178.497 176.600 -0.031 0.000 1.048 69 K CA 1.943 58.203 56.287 -0.046 0.000 0.928 69 K CB -0.152 32.331 32.500 -0.029 0.000 0.713 69 K HN 0.526 nan 8.250 nan 0.000 0.442 70 E N 0.197 120.385 120.200 -0.020 0.000 2.077 70 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 70 E C 2.117 178.715 176.600 -0.004 0.000 0.989 70 E CA 1.749 58.148 56.400 -0.001 0.000 0.800 70 E CB -0.120 29.593 29.700 0.021 0.000 0.746 70 E HN 0.376 nan 8.360 nan 0.000 0.452 71 M N 0.611 120.205 119.600 -0.009 0.000 2.117 71 M HA -0.164 4.316 4.480 -0.001 0.000 0.262 71 M C 2.182 178.453 176.300 -0.049 0.000 1.065 71 M CA 1.455 56.739 55.300 -0.026 0.000 1.114 71 M CB -0.146 32.438 32.600 -0.025 0.000 1.361 71 M HN -0.064 nan 8.290 nan 0.000 0.408 72 K N 0.369 120.739 120.400 -0.050 0.000 2.097 72 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 72 K C 2.107 178.688 176.600 -0.031 0.000 1.049 72 K CA 1.411 57.671 56.287 -0.045 0.000 0.933 72 K CB -0.292 32.181 32.500 -0.045 0.000 0.717 72 K HN 0.310 nan 8.250 nan 0.000 0.442 73 A N 1.900 124.705 122.820 -0.025 0.000 1.908 73 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 73 A C 1.866 179.438 177.584 -0.021 0.000 1.181 73 A CA 1.583 53.609 52.037 -0.018 0.000 0.627 73 A CB -0.262 18.731 19.000 -0.011 0.000 0.818 73 A HN 0.205 nan 8.150 nan 0.000 0.445 74 K N -0.485 119.898 120.400 -0.028 0.000 2.062 74 K HA 0.020 4.339 4.320 -0.001 0.000 0.205 74 K C 2.335 178.909 176.600 -0.043 0.000 1.051 74 K CA 0.984 57.248 56.287 -0.038 0.000 0.941 74 K CB -0.330 32.139 32.500 -0.051 0.000 0.719 74 K HN 0.416 nan 8.250 nan 0.000 0.440 75 A N 1.368 124.161 122.820 -0.046 0.000 1.978 75 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 75 A C 2.118 179.689 177.584 -0.021 0.000 1.170 75 A CA 1.759 53.774 52.037 -0.038 0.000 0.636 75 A CB -0.519 18.461 19.000 -0.033 0.000 0.810 75 A HN 0.176 nan 8.150 nan 0.000 0.448 76 S N -0.383 115.307 115.700 -0.018 0.000 2.500 76 S HA -0.101 4.369 4.470 -0.001 0.000 0.239 76 S C 1.870 176.464 174.600 -0.010 0.000 0.989 76 S CA 1.567 59.761 58.200 -0.010 0.000 0.951 76 S CB -0.496 62.698 63.200 -0.009 0.000 0.759 76 S HN 0.912 nan 8.310 nan 0.000 0.523 77 T N -1.066 113.478 114.554 -0.017 0.000 3.081 77 T HA 0.209 4.558 4.350 -0.001 0.000 0.250 77 T C 0.452 175.142 174.700 -0.018 0.000 1.100 77 T CA -0.143 61.947 62.100 -0.016 0.000 1.038 77 T CB -0.225 68.632 68.868 -0.019 0.000 0.962 77 T HN 0.020 nan 8.240 nan 0.000 0.516 78 V N 2.047 121.949 119.914 -0.020 0.000 2.498 78 V HA 0.383 4.502 4.120 -0.001 0.000 0.279 78 V C 0.137 176.224 176.094 -0.011 0.000 1.048 78 V CA -0.816 61.470 62.300 -0.023 0.000 0.967 78 V CB 1.175 32.978 31.823 -0.032 0.000 0.988 78 V HN 0.377 nan 8.190 nan 0.000 0.473 79 K N 3.691 124.084 120.400 -0.010 0.000 2.274 79 K HA 0.763 5.082 4.320 -0.001 0.000 0.262 79 K C -0.594 176.004 176.600 -0.003 0.000 0.961 79 K CA -0.369 55.917 56.287 -0.002 0.000 0.833 79 K CB 1.452 33.952 32.500 0.000 0.000 1.102 79 K HN 0.843 nan 8.250 nan 0.000 0.436 80 A N 3.860 126.683 122.820 0.004 0.000 2.413 80 A HA 0.561 4.880 4.320 -0.001 0.000 0.307 80 A C -1.386 176.209 177.584 0.018 0.000 1.087 80 A CA -0.952 51.088 52.037 0.005 0.000 0.750 80 A CB 1.091 20.088 19.000 -0.004 0.000 1.296 80 A HN 0.823 nan 8.150 nan 0.000 0.423 81 K N 1.021 121.434 120.400 0.022 0.000 2.208 81 K HA 0.737 5.056 4.320 -0.001 0.000 0.247 81 K C -1.180 175.441 176.600 0.034 0.000 0.953 81 K CA -0.789 55.514 56.287 0.025 0.000 0.837 81 K CB 1.481 33.991 32.500 0.016 0.000 1.131 81 K HN 0.368 nan 8.250 nan 0.000 0.431 82 L N 2.424 123.665 121.223 0.031 0.000 2.380 82 L HA 0.210 4.550 4.340 -0.001 0.000 0.273 82 L C -0.783 176.066 176.870 -0.035 0.000 1.138 82 L CA -0.399 54.452 54.840 0.018 0.000 0.832 82 L CB 0.546 42.622 42.059 0.027 0.000 1.124 82 L HN 0.608 nan 8.230 nan 0.000 0.454 83 L N 3.233 124.414 121.223 -0.071 0.000 2.357 83 L HA 0.428 4.768 4.340 -0.001 0.000 0.273 83 L C 0.496 177.247 176.870 -0.199 0.000 1.080 83 L CA 0.203 54.975 54.840 -0.112 0.000 0.803 83 L CB 1.412 43.404 42.059 -0.112 0.000 1.174 83 L HN 0.841 nan 8.230 nan 0.000 0.443 84 S N 1.380 116.975 115.700 -0.176 0.000 2.589 84 S HA 0.181 4.650 4.470 -0.001 0.000 0.265 84 S C 1.402 175.847 174.600 -0.257 0.000 1.342 84 S CA -0.588 57.489 58.200 -0.206 0.000 1.005 84 S CB 0.697 63.814 63.200 -0.139 0.000 0.909 84 S HN 0.351 nan 8.310 nan 0.000 0.555 85 V N 2.250 121.986 119.914 -0.296 0.000 2.250 85 V HA -0.247 3.872 4.120 -0.001 0.000 0.250 85 V C 2.931 178.887 176.094 -0.230 0.000 1.060 85 V CA 2.434 64.541 62.300 -0.322 0.000 1.030 85 V CB -1.246 30.311 31.823 -0.443 0.000 0.643 85 V HN 1.021 nan 8.190 nan 0.000 0.445 86 E N 0.259 120.350 120.200 -0.181 0.000 2.107 86 E HA -0.255 4.094 4.350 -0.001 0.000 0.191 86 E C 1.945 178.455 176.600 -0.151 0.000 0.982 86 E CA 1.447 57.759 56.400 -0.148 0.000 0.809 86 E CB -0.458 29.175 29.700 -0.111 0.000 0.756 86 E HN 0.720 nan 8.360 nan 0.000 0.459 87 E N 1.338 121.444 120.200 -0.157 0.000 2.085 87 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 87 E C 2.145 178.614 176.600 -0.219 0.000 0.994 87 E CA 1.546 57.841 56.400 -0.174 0.000 0.801 87 E CB -0.182 29.422 29.700 -0.161 0.000 0.743 87 E HN 0.410 nan 8.360 nan 0.000 0.453 88 A N 0.502 123.191 122.820 -0.218 0.000 1.898 88 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 88 A C 2.408 179.876 177.584 -0.193 0.000 1.181 88 A CA 1.159 53.062 52.037 -0.222 0.000 0.620 88 A CB -0.843 18.043 19.000 -0.191 0.000 0.819 88 A HN 0.383 nan 8.150 nan 0.000 0.442 89 C N -0.110 119.087 119.300 -0.171 0.000 2.413 89 C HA -0.093 4.366 4.460 -0.001 0.000 0.276 89 C C 2.558 177.456 174.990 -0.154 0.000 1.236 89 C CA 1.315 60.245 59.018 -0.146 0.000 1.735 89 C CB -0.768 26.888 27.740 -0.141 0.000 2.031 89 C HN 0.489 nan 8.230 nan 0.000 0.474 90 K N 0.741 121.044 120.400 -0.161 0.000 2.362 90 K HA 0.066 4.385 4.320 -0.001 0.000 0.200 90 K C 1.459 177.971 176.600 -0.147 0.000 1.046 90 K CA 0.815 57.013 56.287 -0.148 0.000 0.952 90 K CB -0.422 31.997 32.500 -0.135 0.000 0.753 90 K HN 0.551 nan 8.250 nan 0.000 0.466 91 L N 0.882 121.981 121.223 -0.207 0.000 2.591 91 L HA 0.018 4.357 4.340 -0.001 0.000 0.228 91 L C 0.262 177.042 176.870 -0.150 0.000 1.133 91 L CA 0.164 54.859 54.840 -0.241 0.000 0.880 91 L CB -0.034 41.752 42.059 -0.454 0.000 1.033 91 L HN -0.099 nan 8.230 nan 0.000 0.450 92 T N 1.776 116.243 114.554 -0.145 0.000 2.780 92 T HA 0.223 4.572 4.350 -0.001 0.000 0.294 92 T C -2.352 172.223 174.700 -0.208 0.000 0.949 92 T CA -1.214 60.805 62.100 -0.135 0.000 1.074 92 T CB 1.020 69.815 68.868 -0.122 0.000 0.910 92 T HN -0.147 nan 8.240 nan 0.000 0.501 93 P HA 0.139 nan 4.420 nan 0.000 0.267 93 P C -1.896 175.197 177.300 -0.345 0.000 1.205 93 P CA -1.384 61.564 63.100 -0.252 0.000 0.765 93 P CB 0.167 31.847 31.700 -0.035 0.000 0.828 94 P HA -0.189 nan 4.420 nan 0.000 0.217 94 P C 0.444 177.438 177.300 -0.510 0.000 1.148 94 P CA 1.772 64.566 63.100 -0.511 0.000 0.834 94 P CB -0.221 31.143 31.700 -0.561 0.000 0.783 95 H N -2.638 116.346 119.070 -0.142 0.000 2.505 95 H HA 0.269 4.824 4.556 -0.001 0.000 0.286 95 H C 0.569 175.842 175.328 -0.091 0.000 1.072 95 H CA -0.300 55.691 56.048 -0.094 0.000 1.141 95 H CB -0.069 29.653 29.762 -0.067 0.000 1.550 95 H HN -0.016 nan 8.280 nan 0.000 0.547 96 S N 1.206 116.878 115.700 -0.047 0.000 2.563 96 S HA 0.273 4.743 4.470 -0.001 0.000 0.284 96 S C 0.737 175.299 174.600 -0.065 0.000 1.331 96 S CA -0.438 57.721 58.200 -0.068 0.000 1.047 96 S CB 0.177 63.330 63.200 -0.079 0.000 0.859 96 S HN 0.518 nan 8.310 nan 0.000 0.514 97 A N 4.543 127.306 122.820 -0.096 0.000 2.567 97 A HA 0.206 4.526 4.320 -0.001 0.000 0.240 97 A C 0.585 178.149 177.584 -0.033 0.000 1.053 97 A CA 0.006 52.008 52.037 -0.057 0.000 0.755 97 A CB -0.242 18.714 19.000 -0.074 0.000 0.978 97 A HN 0.878 nan 8.150 nan 0.000 0.507 98 K N 2.245 122.620 120.400 -0.042 0.000 2.336 98 K HA 0.294 4.613 4.320 -0.001 0.000 0.262 98 K C 0.344 176.854 176.600 -0.150 0.000 0.992 98 K CA 0.164 56.389 56.287 -0.102 0.000 0.927 98 K CB 0.409 32.852 32.500 -0.096 0.000 0.956 98 K HN 0.465 nan 8.250 nan 0.000 0.495 99 S N 0.527 116.020 115.700 -0.345 0.000 2.576 99 S HA 0.051 4.520 4.470 -0.001 0.000 0.276 99 S C 0.732 175.135 174.600 -0.328 0.000 1.339 99 S CA -0.484 57.477 58.200 -0.398 0.000 1.039 99 S CB 0.695 63.315 63.200 -0.967 0.000 0.902 99 S HN 0.714 nan 8.310 nan 0.000 0.516 100 K N 2.333 122.516 120.400 -0.362 0.000 2.360 100 K HA -0.056 4.263 4.320 -0.001 0.000 0.201 100 K C 0.025 176.240 176.600 -0.643 0.000 1.046 100 K CA 1.257 57.201 56.287 -0.571 0.000 0.945 100 K CB -0.185 31.789 32.500 -0.877 0.000 0.750 100 K HN 0.659 nan 8.250 nan 0.000 0.464 101 F N 0.135 120.042 119.950 -0.072 0.000 2.819 101 F HA 0.257 4.783 4.527 -0.001 0.000 0.294 101 F C 1.038 176.883 175.800 0.076 0.000 1.166 101 F CA -0.260 57.799 58.000 0.098 0.000 1.374 101 F CB 0.569 39.779 39.000 0.351 0.000 0.956 101 F HN 0.022 nan 8.300 nan 0.000 0.509 102 G N 0.516 109.323 108.800 0.011 0.000 2.149 102 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.235 102 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.235 102 G C -0.386 174.566 174.900 0.087 0.000 1.018 102 G CA 0.237 45.362 45.100 0.042 0.000 0.728 102 G HN 0.563 nan 8.290 nan 0.000 0.508 103 Y N -2.656 117.605 120.300 -0.065 0.000 2.625 103 Y HA 0.830 5.379 4.550 -0.001 0.000 0.338 103 Y C 0.441 176.314 175.900 -0.045 0.000 1.123 103 Y CA -1.292 56.761 58.100 -0.079 0.000 1.046 103 Y CB 0.632 39.012 38.460 -0.134 0.000 1.299 103 Y HN 0.629 nan 8.280 nan 0.000 0.464 104 G N -0.345 108.492 108.800 0.062 0.000 3.108 104 G HA2 0.540 4.499 3.960 -0.001 0.000 0.268 104 G HA3 0.540 4.499 3.960 -0.001 0.000 0.268 104 G C 0.147 175.066 174.900 0.031 0.000 1.361 104 G CA -0.756 44.331 45.100 -0.021 0.000 1.047 104 G HN 1.135 nan 8.290 nan 0.000 0.540 105 A N -0.418 122.378 122.820 -0.041 0.000 1.902 105 A HA 0.017 4.336 4.320 -0.001 0.000 0.217 105 A C 2.156 179.679 177.584 -0.103 0.000 1.181 105 A CA 1.890 53.884 52.037 -0.071 0.000 0.623 105 A CB -0.399 18.524 19.000 -0.128 0.000 0.818 105 A HN 0.572 nan 8.150 nan 0.000 0.443 106 K N -0.288 120.039 120.400 -0.121 0.000 2.097 106 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 106 K C 1.372 177.922 176.600 -0.083 0.000 1.050 106 K CA 1.320 57.528 56.287 -0.132 0.000 0.938 106 K CB -0.212 32.205 32.500 -0.139 0.000 0.718 106 K HN 0.421 nan 8.250 nan 0.000 0.442 107 D N 0.604 120.984 120.400 -0.033 0.000 2.117 107 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 107 D C 1.982 178.255 176.300 -0.045 0.000 0.987 107 D CA 0.923 54.911 54.000 -0.020 0.000 0.829 107 D CB -0.290 40.536 40.800 0.044 0.000 0.961 107 D HN -0.058 nan 8.370 nan 0.000 0.460 108 V N 1.197 121.102 119.914 -0.014 0.000 2.261 108 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 108 V C 2.487 178.524 176.094 -0.095 0.000 1.047 108 V CA 1.566 63.838 62.300 -0.046 0.000 1.015 108 V CB -0.339 31.492 31.823 0.015 0.000 0.642 108 V HN 0.140 nan 8.190 nan 0.000 0.446 109 R N 0.220 120.652 120.500 -0.113 0.000 2.120 109 R HA -0.112 4.227 4.340 -0.001 0.000 0.234 109 R C 1.836 178.067 176.300 -0.115 0.000 1.123 109 R CA 1.330 57.347 56.100 -0.139 0.000 0.975 109 R CB -0.370 29.818 30.300 -0.188 0.000 0.866 109 R HN 0.477 nan 8.270 nan 0.000 0.446 110 N N 0.731 119.371 118.700 -0.100 0.000 2.467 110 N HA 0.045 4.784 4.740 -0.001 0.000 0.184 110 N C 0.267 175.729 175.510 -0.081 0.000 1.106 110 N CA 0.320 53.320 53.050 -0.084 0.000 0.892 110 N CB 0.123 38.566 38.487 -0.073 0.000 0.969 110 N HN 0.132 nan 8.380 nan 0.000 0.454 111 L N 0.335 121.502 121.223 -0.093 0.000 3.717 111 L HA -0.233 4.106 4.340 -0.001 0.000 0.414 111 L C 0.128 176.944 176.870 -0.090 0.000 1.228 111 L CA 0.027 54.808 54.840 -0.097 0.000 0.918 111 L CB -2.784 39.225 42.059 -0.084 0.000 1.865 111 L HN 0.139 nan 8.230 nan 0.000 0.922 112 S N -0.540 115.103 115.700 -0.095 0.000 2.558 112 S HA 0.212 4.681 4.470 -0.001 0.000 0.288 112 S C 1.569 176.108 174.600 -0.101 0.000 1.318 112 S CA 0.010 58.158 58.200 -0.087 0.000 1.056 112 S CB 1.653 64.803 63.200 -0.084 0.000 0.853 112 S HN 0.531 nan 8.310 nan 0.000 0.505 113 S N 3.463 119.122 115.700 -0.069 0.000 2.374 113 S HA -0.264 4.205 4.470 -0.001 0.000 0.227 113 S C 1.716 176.277 174.600 -0.065 0.000 1.037 113 S CA 1.375 59.545 58.200 -0.049 0.000 1.024 113 S CB -0.672 62.513 63.200 -0.024 0.000 0.861 113 S HN 0.886 nan 8.310 nan 0.000 0.456 114 K N 1.825 122.167 120.400 -0.095 0.000 2.002 114 K HA -0.023 4.296 4.320 -0.001 0.000 0.209 114 K C 2.429 178.809 176.600 -0.367 0.000 1.048 114 K CA 1.170 57.373 56.287 -0.140 0.000 0.930 114 K CB -0.737 31.674 32.500 -0.148 0.000 0.714 114 K HN 0.411 nan 8.250 nan 0.000 0.438 115 A N 0.775 123.281 122.820 -0.523 0.000 1.892 115 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 115 A C 2.277 179.546 177.584 -0.525 0.000 1.188 115 A CA 2.042 53.535 52.037 -0.908 0.000 0.631 115 A CB -0.850 17.819 19.000 -0.551 0.000 0.822 115 A HN 0.207 nan 8.150 nan 0.000 0.447 116 V N 0.662 120.413 119.914 -0.271 0.000 2.358 116 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 116 V C 2.154 178.219 176.094 -0.048 0.000 1.047 116 V CA 2.205 64.398 62.300 -0.179 0.000 1.035 116 V CB -1.224 30.539 31.823 -0.101 0.000 0.658 116 V HN 0.658 nan 8.190 nan 0.000 0.452 117 N N -0.576 118.144 118.700 0.034 0.000 2.104 117 N HA -0.218 4.521 4.740 -0.001 0.000 0.190 117 N C 1.857 177.428 175.510 0.102 0.000 1.024 117 N CA 1.522 54.642 53.050 0.117 0.000 0.853 117 N CB -0.253 38.298 38.487 0.108 0.000 1.008 117 N HN 0.537 nan 8.380 nan 0.000 0.424 118 H N 0.757 119.749 119.070 -0.129 0.000 2.353 118 H HA 0.000 4.555 4.556 -0.001 0.000 0.300 118 H C 2.036 177.326 175.328 -0.063 0.000 1.090 118 H CA 0.935 56.925 56.048 -0.096 0.000 1.327 118 H CB -0.270 29.435 29.762 -0.096 0.000 1.383 118 H HN 0.198 nan 8.280 nan 0.000 0.508 119 I N -0.394 120.173 120.570 -0.005 0.000 2.226 119 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 119 I C 2.052 178.166 176.117 -0.006 0.000 1.100 119 I CA 1.467 62.748 61.300 -0.031 0.000 1.374 119 I CB -0.301 37.609 38.000 -0.150 0.000 1.057 119 I HN 0.342 nan 8.210 nan 0.000 0.413 120 H N -0.189 118.895 119.070 0.024 0.000 2.387 120 H HA -0.178 4.377 4.556 -0.001 0.000 0.299 120 H C 2.533 177.912 175.328 0.084 0.000 1.099 120 H CA 1.821 57.901 56.048 0.053 0.000 1.315 120 H CB -0.014 29.751 29.762 0.004 0.000 1.380 120 H HN 0.385 nan 8.280 nan 0.000 0.513 121 S N -0.037 115.744 115.700 0.136 0.000 2.402 121 S HA -0.111 4.358 4.470 -0.001 0.000 0.229 121 S C 2.234 176.851 174.600 0.029 0.000 1.021 121 S CA 1.104 59.328 58.200 0.041 0.000 0.974 121 S CB -0.587 62.573 63.200 -0.066 0.000 0.800 121 S HN 0.159 nan 8.310 nan 0.000 0.484 122 V N 0.807 120.749 119.914 0.048 0.000 2.358 122 V HA -0.103 4.016 4.120 -0.001 0.000 0.246 122 V C 2.228 178.386 176.094 0.106 0.000 1.047 122 V CA 1.699 64.026 62.300 0.045 0.000 1.035 122 V CB -1.072 30.791 31.823 0.067 0.000 0.658 122 V HN 0.701 nan 8.190 nan 0.000 0.452 123 W N 1.413 122.704 121.300 -0.015 0.000 2.333 123 W HA -0.262 4.397 4.660 -0.002 0.000 0.316 123 W C 2.545 179.064 176.519 0.000 0.000 1.215 123 W CA 2.385 59.728 57.345 -0.003 0.000 1.278 123 W CB -0.161 29.308 29.460 0.015 0.000 1.154 123 W HN 0.226 nan 8.180 nan 0.000 0.486 124 K N 0.494 120.976 120.400 0.138 0.000 2.063 124 K HA -0.288 4.031 4.320 -0.001 0.000 0.208 124 K C 1.749 178.298 176.600 -0.084 0.000 1.048 124 K CA 2.357 58.652 56.287 0.013 0.000 0.928 124 K CB -0.599 31.938 32.500 0.061 0.000 0.713 124 K HN 0.066 nan 8.250 nan 0.000 0.442 125 D N 0.114 120.472 120.400 -0.070 0.000 2.144 125 D HA -0.138 4.501 4.640 -0.001 0.000 0.200 125 D C 1.976 178.193 176.300 -0.138 0.000 0.978 125 D CA 0.874 54.820 54.000 -0.090 0.000 0.833 125 D CB 0.061 40.817 40.800 -0.073 0.000 0.961 125 D HN 0.191 nan 8.370 nan 0.000 0.470 126 L N 0.013 121.120 121.223 -0.193 0.000 2.042 126 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 126 L C 2.421 179.104 176.870 -0.312 0.000 1.076 126 L CA 0.861 55.536 54.840 -0.275 0.000 0.749 126 L CB -0.369 41.448 42.059 -0.403 0.000 0.893 126 L HN 0.270 nan 8.230 nan 0.000 0.432 127 L N -0.973 120.030 121.223 -0.366 0.000 2.217 127 L HA -0.139 4.200 4.340 -0.001 0.000 0.211 127 L C 2.163 178.933 176.870 -0.167 0.000 1.107 127 L CA 0.979 55.642 54.840 -0.296 0.000 0.783 127 L CB -0.265 41.617 42.059 -0.294 0.000 0.919 127 L HN 0.305 nan 8.230 nan 0.000 0.442 128 E N -1.160 118.959 120.200 -0.135 0.000 2.415 128 E HA -0.023 4.326 4.350 -0.001 0.000 0.197 128 E C 0.047 176.601 176.600 -0.077 0.000 1.007 128 E CA 0.083 56.430 56.400 -0.088 0.000 0.890 128 E CB 0.464 30.123 29.700 -0.068 0.000 0.891 128 E HN 0.163 nan 8.360 nan 0.000 0.496 129 D N 0.492 120.838 120.400 -0.090 0.000 2.620 129 D HA 0.047 4.686 4.640 -0.001 0.000 0.252 129 D C -0.126 176.124 176.300 -0.082 0.000 1.207 129 D CA -0.364 53.592 54.000 -0.072 0.000 0.884 129 D CB 1.502 42.264 40.800 -0.064 0.000 1.262 129 D HN -0.050 nan 8.370 nan 0.000 0.552 130 T N 0.412 114.926 114.554 -0.067 0.000 3.215 130 T HA 0.271 4.620 4.350 -0.001 0.000 0.271 130 T C 0.877 175.549 174.700 -0.047 0.000 1.012 130 T CA -0.103 61.958 62.100 -0.066 0.000 0.899 130 T CB 0.189 69.022 68.868 -0.059 0.000 1.089 130 T HN 0.132 nan 8.240 nan 0.000 0.552 131 V N 0.060 119.949 119.914 -0.041 0.000 3.159 131 V HA 0.203 4.323 4.120 -0.001 0.000 0.234 131 V C 0.944 177.028 176.094 -0.017 0.000 1.313 131 V CA 0.258 62.543 62.300 -0.025 0.000 1.271 131 V CB 0.251 32.061 31.823 -0.021 0.000 1.053 131 V HN 0.458 nan 8.190 nan 0.000 0.476 132 T N 4.133 118.675 114.554 -0.021 0.000 2.769 132 T HA 0.227 4.576 4.350 -0.001 0.000 0.293 132 T C -2.453 172.245 174.700 -0.004 0.000 0.931 132 T CA -0.624 61.471 62.100 -0.007 0.000 1.139 132 T CB 0.769 69.630 68.868 -0.011 0.000 0.881 132 T HN 0.162 nan 8.240 nan 0.000 0.532 133 P HA 0.119 nan 4.420 nan 0.000 0.265 133 P C -0.254 177.044 177.300 -0.003 0.000 1.187 133 P CA -0.026 63.086 63.100 0.020 0.000 0.766 133 P CB 0.342 32.094 31.700 0.087 0.000 0.820 134 I N 2.247 122.799 120.570 -0.029 0.000 2.365 134 I HA 0.159 4.328 4.170 -0.001 0.000 0.291 134 I C 0.923 177.022 176.117 -0.030 0.000 1.004 134 I CA -0.519 60.768 61.300 -0.022 0.000 1.311 134 I CB 0.846 38.825 38.000 -0.034 0.000 1.401 134 I HN 0.323 nan 8.210 nan 0.000 0.491 135 D N 4.344 124.741 120.400 -0.005 0.000 2.423 135 D HA 0.177 4.816 4.640 -0.001 0.000 0.238 135 D C -0.357 175.909 176.300 -0.058 0.000 1.142 135 D CA 0.388 54.372 54.000 -0.027 0.000 0.884 135 D CB 0.782 41.585 40.800 0.004 0.000 1.199 135 D HN 0.634 nan 8.370 nan 0.000 0.438 136 T N -0.824 113.665 114.554 -0.108 0.000 2.903 136 T HA 0.550 4.899 4.350 -0.001 0.000 0.299 136 T C -0.420 174.126 174.700 -0.257 0.000 1.093 136 T CA -1.006 60.989 62.100 -0.176 0.000 1.002 136 T CB 1.498 70.288 68.868 -0.131 0.000 1.127 136 T HN 0.214 nan 8.240 nan 0.000 0.488 137 T N 2.486 116.732 114.554 -0.513 0.000 2.837 137 T HA 0.579 4.928 4.350 -0.001 0.000 0.285 137 T C -0.276 174.164 174.700 -0.433 0.000 0.984 137 T CA -0.565 61.212 62.100 -0.538 0.000 1.049 137 T CB 0.688 69.045 68.868 -0.851 0.000 0.947 137 T HN 0.717 nan 8.240 nan 0.000 0.472 138 I N 4.074 124.552 120.570 -0.154 0.000 2.378 138 I HA 0.502 4.671 4.170 -0.001 0.000 0.291 138 I C -0.966 175.185 176.117 0.057 0.000 0.992 138 I CA -0.742 60.559 61.300 0.002 0.000 1.154 138 I CB 0.610 38.657 38.000 0.078 0.000 1.315 138 I HN 0.410 nan 8.210 nan 0.000 0.448 139 M N 6.540 126.222 119.600 0.137 0.000 2.572 139 M HA 0.500 4.979 4.480 -0.001 0.000 0.299 139 M C -0.556 175.814 176.300 0.117 0.000 1.205 139 M CA -0.626 54.761 55.300 0.145 0.000 0.876 139 M CB 1.807 34.550 32.600 0.237 0.000 1.728 139 M HN 0.584 nan 8.290 nan 0.000 0.458 140 A N 2.527 125.395 122.820 0.081 0.000 2.320 140 A HA 0.451 4.770 4.320 -0.001 0.000 0.287 140 A C 0.061 177.688 177.584 0.073 0.000 1.181 140 A CA -0.417 51.660 52.037 0.067 0.000 0.831 140 A CB 0.181 19.207 19.000 0.043 0.000 1.102 140 A HN 0.772 nan 8.150 nan 0.000 0.513 141 K N 1.824 122.270 120.400 0.076 0.000 2.355 141 K HA 0.076 4.395 4.320 -0.001 0.000 0.270 141 K C -0.531 176.090 176.600 0.035 0.000 1.003 141 K CA 0.255 56.576 56.287 0.056 0.000 0.957 141 K CB 0.438 32.977 32.500 0.064 0.000 0.939 141 K HN 0.780 nan 8.250 nan 0.000 0.482 142 N N 2.406 121.099 118.700 -0.012 0.000 2.546 142 N HA 0.113 4.852 4.740 -0.001 0.000 0.238 142 N C -1.302 174.102 175.510 -0.177 0.000 0.984 142 N CA -0.325 52.683 53.050 -0.069 0.000 0.935 142 N CB 1.055 39.501 38.487 -0.069 0.000 1.122 142 N HN 0.383 nan 8.380 nan 0.000 0.510 143 E N 0.934 121.022 120.200 -0.188 0.000 2.288 143 E HA 0.438 4.787 4.350 -0.001 0.000 0.268 143 E C -0.869 175.357 176.600 -0.624 0.000 0.885 143 E CA -0.980 55.188 56.400 -0.386 0.000 0.767 143 E CB 2.610 32.142 29.700 -0.280 0.000 1.220 143 E HN 0.084 nan 8.360 nan 0.000 0.427 144 V N 3.099 122.490 119.914 -0.872 0.000 2.439 144 V HA 0.478 4.597 4.120 -0.001 0.000 0.282 144 V C -0.729 174.756 176.094 -1.014 0.000 1.039 144 V CA -0.251 61.547 62.300 -0.836 0.000 0.913 144 V CB 0.125 31.553 31.823 -0.659 0.000 0.983 144 V HN 0.515 nan 8.190 nan 0.000 0.460 145 F N 2.087 121.694 119.950 -0.572 0.000 2.692 145 F HA 0.605 5.131 4.527 -0.001 0.000 0.320 145 F C 0.052 175.656 175.800 -0.327 0.000 1.123 145 F CA -0.719 57.010 58.000 -0.451 0.000 0.961 145 F CB 1.353 40.060 39.000 -0.489 0.000 1.383 145 F HN 0.530 nan 8.300 nan 0.000 0.483 146 C N 2.629 122.013 119.300 0.140 0.000 2.358 146 C HA 0.786 5.245 4.460 -0.001 0.000 0.342 146 C C 0.114 175.297 174.990 0.322 0.000 1.234 146 C CA -0.714 58.422 59.018 0.197 0.000 1.969 146 C CB 0.058 27.873 27.740 0.124 0.000 2.346 146 C HN 0.728 nan 8.230 nan 0.000 0.525 147 V N 4.900 125.030 119.914 0.360 0.000 2.901 147 V HA 0.386 4.506 4.120 -0.001 0.000 0.307 147 V C -0.078 176.103 176.094 0.144 0.000 1.084 147 V CA 0.485 62.945 62.300 0.266 0.000 1.184 147 V CB 0.039 31.951 31.823 0.148 0.000 0.941 147 V HN 1.377 nan 8.190 nan 0.000 0.493 155 K N 2.005 122.389 120.400 -0.027 0.000 2.350 155 K HA 0.316 4.635 4.320 -0.001 0.000 0.279 155 K C -2.247 174.358 176.600 0.008 0.000 1.027 155 K CA -1.297 54.955 56.287 -0.059 0.000 0.969 155 K CB 0.501 32.869 32.500 -0.220 0.000 0.954 155 K HN 0.115 nan 8.250 nan 0.000 0.474 156 P HA 0.039 nan 4.420 nan 0.000 0.274 156 P C -0.665 176.665 177.300 0.050 0.000 1.237 156 P CA -0.491 62.622 63.100 0.021 0.000 0.793 156 P CB 0.700 32.398 31.700 -0.004 0.000 0.977 157 A N 3.168 126.030 122.820 0.070 0.000 2.565 157 A HA 0.028 4.347 4.320 -0.001 0.000 0.237 157 A C 0.672 178.303 177.584 0.078 0.000 1.053 157 A CA 0.071 52.163 52.037 0.092 0.000 0.755 157 A CB -0.423 18.621 19.000 0.074 0.000 0.980 157 A HN 0.439 nan 8.150 nan 0.000 0.506 158 R N 0.784 121.350 120.500 0.110 0.000 2.679 158 R HA 0.423 4.763 4.340 -0.001 0.000 0.269 158 R C -0.555 175.805 176.300 0.100 0.000 1.076 158 R CA -0.115 56.051 56.100 0.110 0.000 1.160 158 R CB 0.302 30.686 30.300 0.140 0.000 1.054 158 R HN 0.668 nan 8.270 nan 0.000 0.507 159 L N 2.041 123.328 121.223 0.107 0.000 2.330 159 L HA 0.581 4.920 4.340 -0.001 0.000 0.271 159 L C -0.442 176.520 176.870 0.153 0.000 1.013 159 L CA -1.057 53.850 54.840 0.111 0.000 0.816 159 L CB 1.556 43.665 42.059 0.083 0.000 1.287 159 L HN 0.470 nan 8.230 nan 0.000 0.435 160 I N 1.538 122.216 120.570 0.181 0.000 2.545 160 I HA 0.566 4.735 4.170 -0.001 0.000 0.292 160 I C -1.164 175.135 176.117 0.303 0.000 1.040 160 I CA -0.393 61.052 61.300 0.242 0.000 1.068 160 I CB 2.111 40.249 38.000 0.230 0.000 1.251 160 I HN 0.192 nan 8.210 nan 0.000 0.424 161 V N 8.392 128.492 119.914 0.311 0.000 2.525 161 V HA 0.599 4.718 4.120 -0.001 0.000 0.299 161 V C -1.007 175.262 176.094 0.292 0.000 1.034 161 V CA -0.481 61.950 62.300 0.219 0.000 0.863 161 V CB 1.171 33.099 31.823 0.174 0.000 0.999 161 V HN 0.594 nan 8.190 nan 0.000 0.423 162 F N 5.020 125.020 119.950 0.084 0.000 2.608 162 F HA 0.943 5.469 4.527 -0.002 0.000 0.309 162 F C -3.094 172.748 175.800 0.069 0.000 1.103 162 F CA -2.502 55.547 58.000 0.082 0.000 0.954 162 F CB 1.805 40.850 39.000 0.075 0.000 1.267 162 F HN 0.310 nan 8.300 nan 0.000 0.444 163 P HA 0.188 nan 4.420 nan 0.000 0.282 163 P C -1.028 176.393 177.300 0.202 0.000 1.287 163 P CA -0.144 63.015 63.100 0.099 0.000 0.792 163 P CB 1.151 32.922 31.700 0.118 0.000 1.163 164 D N -0.962 119.531 120.400 0.156 0.000 2.400 164 D HA -0.041 4.598 4.640 -0.001 0.000 0.238 164 D C 1.371 177.793 176.300 0.204 0.000 1.157 164 D CA -0.314 53.799 54.000 0.189 0.000 0.889 164 D CB 0.259 41.203 40.800 0.239 0.000 1.199 164 D HN 0.100 nan 8.370 nan 0.000 0.436 165 L N 3.386 124.704 121.223 0.159 0.000 2.051 165 L HA -0.061 4.278 4.340 -0.001 0.000 0.214 165 L C 1.994 178.981 176.870 0.196 0.000 1.076 165 L CA 2.645 57.565 54.840 0.134 0.000 0.758 165 L CB -1.113 40.969 42.059 0.038 0.000 0.890 165 L HN 0.658 nan 8.230 nan 0.000 0.433 166 G N -1.403 107.559 108.800 0.271 0.000 2.418 166 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 166 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 166 G C 1.533 176.551 174.900 0.198 0.000 1.158 166 G CA 0.988 46.270 45.100 0.303 0.000 0.771 166 G HN 0.358 nan 8.290 nan 0.000 0.545 167 V N 0.890 120.913 119.914 0.182 0.000 2.343 167 V HA -0.199 3.920 4.120 -0.001 0.000 0.247 167 V C 2.926 179.112 176.094 0.152 0.000 1.051 167 V CA 1.996 64.384 62.300 0.147 0.000 1.036 167 V CB -0.494 31.402 31.823 0.121 0.000 0.654 167 V HN 0.332 nan 8.190 nan 0.000 0.451 168 R N -0.263 120.330 120.500 0.156 0.000 2.096 168 R HA -0.122 4.218 4.340 -0.001 0.000 0.235 168 R C 2.232 178.597 176.300 0.109 0.000 1.127 168 R CA 1.481 57.666 56.100 0.142 0.000 0.968 168 R CB -0.643 29.734 30.300 0.129 0.000 0.861 168 R HN 0.446 nan 8.270 nan 0.000 0.440 169 V N 0.500 120.470 119.914 0.092 0.000 2.343 169 V HA -0.303 3.816 4.120 -0.001 0.000 0.247 169 V C 2.503 178.631 176.094 0.056 0.000 1.051 169 V CA 1.592 63.915 62.300 0.038 0.000 1.036 169 V CB -0.534 31.295 31.823 0.010 0.000 0.654 169 V HN 0.444 nan 8.190 nan 0.000 0.451 170 C N -0.120 119.265 119.300 0.142 0.000 2.425 170 C HA -0.127 4.332 4.460 -0.001 0.000 0.277 170 C C 2.669 177.847 174.990 0.313 0.000 1.280 170 C CA 0.792 59.985 59.018 0.292 0.000 1.744 170 C CB -1.003 26.980 27.740 0.406 0.000 1.989 170 C HN 0.623 nan 8.230 nan 0.000 0.491 171 E N 0.966 121.298 120.200 0.220 0.000 2.058 171 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 171 E C 2.133 178.848 176.600 0.192 0.000 0.997 171 E CA 1.317 57.850 56.400 0.222 0.000 0.801 171 E CB -0.170 29.669 29.700 0.230 0.000 0.746 171 E HN 0.646 nan 8.360 nan 0.000 0.450 172 K N 0.336 120.816 120.400 0.132 0.000 2.057 172 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 172 K C 2.225 178.866 176.600 0.069 0.000 1.049 172 K CA 1.372 57.717 56.287 0.096 0.000 0.931 172 K CB -0.138 32.340 32.500 -0.037 0.000 0.714 172 K HN 0.106 nan 8.250 nan 0.000 0.440 173 M N 0.351 119.952 119.600 0.001 0.000 2.082 173 M HA -0.217 4.262 4.480 -0.001 0.000 0.258 173 M C 2.444 178.775 176.300 0.051 0.000 1.069 173 M CA 1.937 57.169 55.300 -0.113 0.000 1.102 173 M CB -0.380 31.941 32.600 -0.466 0.000 1.336 173 M HN 0.264 nan 8.290 nan 0.000 0.404 174 A N -0.779 122.198 122.820 0.261 0.000 1.970 174 A HA 0.031 4.350 4.320 -0.001 0.000 0.216 174 A C 1.845 179.524 177.584 0.158 0.000 1.170 174 A CA 1.196 53.428 52.037 0.324 0.000 0.645 174 A CB -0.181 19.047 19.000 0.380 0.000 0.816 174 A HN 0.507 nan 8.150 nan 0.000 0.447 175 L N -3.296 118.003 121.223 0.127 0.000 3.039 175 L HA 0.191 4.530 4.340 -0.001 0.000 0.269 175 L C 1.824 178.715 176.870 0.035 0.000 1.169 175 L CA 0.038 54.894 54.840 0.027 0.000 0.986 175 L CB 0.125 42.174 42.059 -0.016 0.000 1.377 175 L HN 0.453 nan 8.230 nan 0.000 0.575 176 Y N 1.371 121.668 120.300 -0.005 0.000 2.165 176 Y HA -0.317 4.232 4.550 -0.001 0.000 0.286 176 Y C 2.174 178.080 175.900 0.010 0.000 1.155 176 Y CA 2.318 60.421 58.100 0.005 0.000 1.164 176 Y CB 0.123 38.563 38.460 -0.034 0.000 0.978 176 Y HN 0.233 nan 8.280 nan 0.000 0.513 177 D N -0.773 119.644 120.400 0.029 0.000 2.149 177 D HA -0.149 4.490 4.640 -0.001 0.000 0.201 177 D C 2.189 178.420 176.300 -0.114 0.000 0.972 177 D CA 1.318 55.290 54.000 -0.047 0.000 0.835 177 D CB -0.196 40.628 40.800 0.039 0.000 0.966 177 D HN 0.251 nan 8.370 nan 0.000 0.476 178 V N 0.653 120.508 119.914 -0.098 0.000 2.233 178 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 178 V C 2.737 178.718 176.094 -0.189 0.000 1.050 178 V CA 1.961 64.180 62.300 -0.133 0.000 1.010 178 V CB -0.838 30.884 31.823 -0.169 0.000 0.637 178 V HN 0.353 nan 8.190 nan 0.000 0.444 179 V N -2.353 117.425 119.914 -0.226 0.000 2.913 179 V HA -0.126 3.993 4.120 -0.001 0.000 0.260 179 V C 2.077 178.016 176.094 -0.258 0.000 1.098 179 V CA 2.162 64.324 62.300 -0.229 0.000 1.121 179 V CB -0.506 31.209 31.823 -0.180 0.000 0.714 179 V HN 0.460 nan 8.190 nan 0.000 0.487 180 S N 1.114 116.644 115.700 -0.282 0.000 2.425 180 S HA -0.054 4.416 4.470 -0.001 0.000 0.225 180 S C 1.977 176.468 174.600 -0.182 0.000 1.024 180 S CA 1.567 59.616 58.200 -0.252 0.000 0.951 180 S CB -0.084 62.895 63.200 -0.368 0.000 0.796 180 S HN 0.946 nan 8.310 nan 0.000 0.498 181 T N -0.559 113.890 114.554 -0.175 0.000 3.018 181 T HA 0.290 4.639 4.350 -0.001 0.000 0.246 181 T C 1.703 176.298 174.700 -0.174 0.000 1.026 181 T CA -0.071 61.945 62.100 -0.140 0.000 1.081 181 T CB -0.430 68.382 68.868 -0.092 0.000 0.970 181 T HN 0.216 nan 8.240 nan 0.000 0.475 182 L N 1.885 122.999 121.223 -0.182 0.000 2.056 182 L HA 0.166 4.505 4.340 -0.001 0.000 0.207 182 L C -0.864 175.835 176.870 -0.285 0.000 1.078 182 L CA 1.166 55.902 54.840 -0.172 0.000 0.749 182 L CB -0.705 41.300 42.059 -0.089 0.000 0.901 182 L HN 0.124 nan 8.230 nan 0.000 0.433 183 P HA -0.229 nan 4.420 nan 0.000 0.215 183 P C 1.329 178.142 177.300 -0.811 0.000 1.157 183 P CA 1.280 63.919 63.100 -0.768 0.000 0.868 183 P CB -0.171 30.719 31.700 -1.350 0.000 0.788 184 Q N 0.052 119.425 119.800 -0.711 0.000 2.167 184 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 184 Q C 1.920 177.783 176.000 -0.228 0.000 0.970 184 Q CA 1.418 57.013 55.803 -0.347 0.000 0.855 184 Q CB -0.627 28.016 28.738 -0.159 0.000 0.911 184 Q HN 0.081 nan 8.270 nan 0.000 0.438 185 V N 0.041 119.826 119.914 -0.215 0.000 2.358 185 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 185 V C 2.508 178.509 176.094 -0.156 0.000 1.047 185 V CA 1.418 63.631 62.300 -0.146 0.000 1.035 185 V CB -0.494 31.260 31.823 -0.115 0.000 0.658 185 V HN 0.128 nan 8.190 nan 0.000 0.452 186 V N -0.827 118.960 119.914 -0.212 0.000 2.453 186 V HA -0.174 3.945 4.120 -0.001 0.000 0.247 186 V C 2.032 177.948 176.094 -0.297 0.000 1.048 186 V CA 2.108 64.276 62.300 -0.220 0.000 1.049 186 V CB -0.389 31.290 31.823 -0.240 0.000 0.672 186 V HN 0.475 nan 8.190 nan 0.000 0.457 187 M N -1.603 117.772 119.600 -0.375 0.000 2.331 187 M HA 0.374 4.853 4.480 -0.001 0.000 0.266 187 M C 1.398 177.596 176.300 -0.171 0.000 1.055 187 M CA 0.731 55.735 55.300 -0.494 0.000 1.048 187 M CB 0.780 32.978 32.600 -0.671 0.000 1.460 187 M HN 0.456 nan 8.290 nan 0.000 0.519 188 G N 1.607 110.331 108.800 -0.126 0.000 2.596 188 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.295 188 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.295 188 G C 0.809 175.674 174.900 -0.060 0.000 1.240 188 G CA 0.808 45.873 45.100 -0.058 0.000 0.985 188 G HN 0.518 nan 8.290 nan 0.000 0.555 189 S N -0.616 115.068 115.700 -0.026 0.000 2.469 189 S HA 0.004 4.473 4.470 -0.001 0.000 0.238 189 S C 2.225 176.706 174.600 -0.198 0.000 0.998 189 S CA 2.108 60.233 58.200 -0.125 0.000 0.957 189 S CB -0.253 62.950 63.200 0.005 0.000 0.764 189 S HN 1.169 nan 8.310 nan 0.000 0.514 190 S N 0.213 115.926 115.700 0.022 0.000 2.515 190 S HA 0.084 4.553 4.470 -0.001 0.000 0.231 190 S C 0.277 174.906 174.600 0.049 0.000 0.987 190 S CA 0.012 58.283 58.200 0.118 0.000 0.936 190 S CB -0.468 62.922 63.200 0.317 0.000 0.766 190 S HN 0.700 nan 8.310 nan 0.000 0.528 191 Y N 3.138 123.322 120.300 -0.194 0.000 2.584 191 Y HA 0.441 4.990 4.550 -0.001 0.000 0.351 191 Y C 1.289 177.000 175.900 -0.316 0.000 1.030 191 Y CA -1.431 56.526 58.100 -0.239 0.000 1.332 191 Y CB -0.028 38.280 38.460 -0.253 0.000 1.148 191 Y HN 0.060 nan 8.280 nan 0.000 0.528 192 G N 4.496 112.872 108.800 -0.707 0.000 2.448 192 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.219 192 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.219 192 G C 1.004 175.362 174.900 -0.903 0.000 1.127 192 G CA 0.356 45.032 45.100 -0.707 0.000 0.766 192 G HN 0.641 nan 8.290 nan 0.000 0.552 193 F N 0.903 120.140 119.950 -1.189 0.000 2.811 193 F HA 0.107 4.633 4.527 -0.001 0.000 0.301 193 F C 2.739 178.254 175.800 -0.475 0.000 1.151 193 F CA 0.645 58.053 58.000 -0.987 0.000 1.412 193 F CB 0.119 38.517 39.000 -1.005 0.000 1.113 193 F HN 0.339 nan 8.300 nan 0.000 0.579 194 Q N -0.594 118.951 119.800 -0.424 0.000 2.451 194 Q HA -0.072 4.267 4.340 -0.001 0.000 0.206 194 Q C -0.681 175.186 176.000 -0.222 0.000 0.947 194 Q CA 0.803 56.450 55.803 -0.260 0.000 0.937 194 Q CB -0.225 28.264 28.738 -0.414 0.000 1.025 194 Q HN 0.292 nan 8.270 nan 0.000 0.511 195 Y N 1.815 122.090 120.300 -0.042 0.000 2.341 195 Y HA 0.299 4.848 4.550 -0.001 0.000 0.337 195 Y C 0.501 176.188 175.900 -0.354 0.000 1.014 195 Y CA -1.312 56.705 58.100 -0.139 0.000 1.111 195 Y CB 1.558 39.907 38.460 -0.185 0.000 1.194 195 Y HN 0.106 nan 8.280 nan 0.000 0.462 196 S N 3.032 118.448 115.700 -0.473 0.000 2.587 196 S HA 0.100 4.570 4.470 -0.001 0.000 0.260 196 S C -1.929 172.313 174.600 -0.597 0.000 1.353 196 S CA -0.819 56.695 58.200 -1.143 0.000 0.995 196 S CB 0.917 63.711 63.200 -0.678 0.000 0.912 196 S HN 0.462 nan 8.310 nan 0.000 0.568 197 P HA 0.017 nan 4.420 nan 0.000 0.215 197 P C 1.779 178.961 177.300 -0.197 0.000 1.153 197 P CA 1.669 64.588 63.100 -0.303 0.000 0.853 197 P CB -0.570 30.984 31.700 -0.245 0.000 0.788 198 G N -0.078 108.575 108.800 -0.245 0.000 2.476 198 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.218 198 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.218 198 G C 1.530 176.362 174.900 -0.113 0.000 1.164 198 G CA 0.835 45.860 45.100 -0.125 0.000 0.768 198 G HN 0.319 nan 8.290 nan 0.000 0.560 199 Q N -0.654 119.063 119.800 -0.137 0.000 2.172 199 Q HA 0.054 4.394 4.340 -0.001 0.000 0.200 199 Q C 2.597 178.441 176.000 -0.260 0.000 0.964 199 Q CA 0.771 56.514 55.803 -0.101 0.000 0.855 199 Q CB -0.086 28.686 28.738 0.055 0.000 0.918 199 Q HN 0.464 nan 8.270 nan 0.000 0.444 200 R N 0.277 120.633 120.500 -0.240 0.000 2.066 200 R HA -0.109 4.230 4.340 -0.001 0.000 0.232 200 R C 2.228 178.408 176.300 -0.200 0.000 1.131 200 R CA 1.058 56.981 56.100 -0.295 0.000 0.955 200 R CB -0.346 29.875 30.300 -0.130 0.000 0.851 200 R HN 0.167 nan 8.270 nan 0.000 0.432 201 V N 1.461 121.292 119.914 -0.139 0.000 2.343 201 V HA -0.249 3.871 4.120 -0.001 0.000 0.247 201 V C 2.189 178.185 176.094 -0.164 0.000 1.051 201 V CA 2.408 64.633 62.300 -0.126 0.000 1.036 201 V CB -0.331 31.465 31.823 -0.046 0.000 0.654 201 V HN 0.511 nan 8.190 nan 0.000 0.451 202 E N -0.864 119.259 120.200 -0.128 0.000 2.058 202 E HA -0.301 4.048 4.350 -0.001 0.000 0.194 202 E C 2.108 178.625 176.600 -0.140 0.000 0.997 202 E CA 2.069 58.399 56.400 -0.116 0.000 0.801 202 E CB -0.399 29.264 29.700 -0.063 0.000 0.746 202 E HN 0.647 nan 8.360 nan 0.000 0.450 203 F N 1.109 120.860 119.950 -0.332 0.000 2.134 203 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 203 F C 1.928 177.581 175.800 -0.244 0.000 1.097 203 F CA 1.259 59.051 58.000 -0.346 0.000 1.264 203 F CB -0.203 38.394 39.000 -0.671 0.000 1.001 203 F HN 0.019 nan 8.300 nan 0.000 0.479 204 L N -0.825 120.216 121.223 -0.304 0.000 2.017 204 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 204 L C 2.411 179.094 176.870 -0.312 0.000 1.073 204 L CA 1.186 55.832 54.840 -0.323 0.000 0.745 204 L CB -0.875 41.051 42.059 -0.221 0.000 0.894 204 L HN -0.010 nan 8.230 nan 0.000 0.432 205 V N 0.110 119.825 119.914 -0.332 0.000 2.261 205 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 205 V C 2.185 178.154 176.094 -0.208 0.000 1.047 205 V CA 2.013 64.101 62.300 -0.354 0.000 1.015 205 V CB -0.693 30.783 31.823 -0.579 0.000 0.642 205 V HN 0.492 nan 8.190 nan 0.000 0.446 206 N N -0.078 118.486 118.700 -0.226 0.000 2.223 206 N HA -0.128 4.611 4.740 -0.001 0.000 0.185 206 N C 1.848 177.229 175.510 -0.215 0.000 1.016 206 N CA 1.784 54.728 53.050 -0.177 0.000 0.863 206 N CB -0.585 37.820 38.487 -0.136 0.000 0.983 206 N HN 0.473 nan 8.380 nan 0.000 0.429 207 T N 0.165 114.501 114.554 -0.364 0.000 2.812 207 T HA -0.109 4.240 4.350 -0.001 0.000 0.264 207 T C 1.475 176.081 174.700 -0.157 0.000 1.042 207 T CA 0.473 62.357 62.100 -0.361 0.000 1.140 207 T CB -0.148 68.346 68.868 -0.623 0.000 0.870 207 T HN 0.413 nan 8.240 nan 0.000 0.445 208 W N 2.379 123.510 121.300 -0.281 0.000 2.355 208 W HA -0.108 4.550 4.660 -0.003 0.000 0.309 208 W C 1.827 178.257 176.519 -0.148 0.000 1.206 208 W CA 1.224 58.450 57.345 -0.199 0.000 1.284 208 W CB -0.192 29.146 29.460 -0.204 0.000 1.145 208 W HN 0.235 nan 8.180 nan 0.000 0.502 209 K N 0.325 120.729 120.400 0.007 0.000 2.280 209 K HA -0.152 4.168 4.320 -0.001 0.000 0.202 209 K C 2.117 178.651 176.600 -0.111 0.000 1.047 209 K CA 1.692 57.949 56.287 -0.050 0.000 0.942 209 K CB -0.324 32.169 32.500 -0.012 0.000 0.739 209 K HN 0.090 nan 8.250 nan 0.000 0.457 210 S N 0.470 116.093 115.700 -0.128 0.000 2.481 210 S HA -0.007 4.462 4.470 -0.001 0.000 0.231 210 S C 0.548 175.067 174.600 -0.135 0.000 0.996 210 S CA 0.335 58.466 58.200 -0.115 0.000 0.942 210 S CB 0.056 63.190 63.200 -0.109 0.000 0.768 210 S HN -0.035 nan 8.310 nan 0.000 0.520 211 K N 1.666 121.944 120.400 -0.204 0.000 2.118 211 K HA 0.408 4.727 4.320 -0.001 0.000 0.267 211 K C 0.524 177.005 176.600 -0.198 0.000 0.991 211 K CA -0.399 55.757 56.287 -0.219 0.000 0.916 211 K CB 1.070 33.378 32.500 -0.320 0.000 1.041 211 K HN 0.112 nan 8.250 nan 0.000 0.455 212 K N 0.907 121.220 120.400 -0.146 0.000 2.031 212 K HA -0.002 4.318 4.320 -0.001 0.000 0.205 212 K C 0.120 176.640 176.600 -0.133 0.000 1.049 212 K CA 1.102 57.321 56.287 -0.113 0.000 0.939 212 K CB 0.196 32.650 32.500 -0.077 0.000 0.717 212 K HN 0.438 nan 8.250 nan 0.000 0.438 213 N N 1.466 120.077 118.700 -0.147 0.000 2.716 213 N HA 0.197 4.936 4.740 -0.001 0.000 0.253 213 N C -2.873 172.509 175.510 -0.214 0.000 1.170 213 N CA -1.173 51.792 53.050 -0.142 0.000 0.807 213 N CB 1.492 39.935 38.487 -0.074 0.000 1.183 213 N HN 0.032 nan 8.380 nan 0.000 0.524 214 P HA 0.102 nan 4.420 nan 0.000 0.271 214 P C -0.236 176.751 177.300 -0.521 0.000 1.216 214 P CA -0.181 62.459 63.100 -0.767 0.000 0.776 214 P CB 1.249 31.848 31.700 -1.835 0.000 0.881 215 M N 2.259 121.637 119.600 -0.370 0.000 2.457 215 M HA 0.648 5.127 4.480 -0.001 0.000 0.300 215 M C -1.037 175.242 176.300 -0.035 0.000 1.141 215 M CA -0.357 54.826 55.300 -0.196 0.000 0.901 215 M CB 2.602 35.146 32.600 -0.094 0.000 1.687 215 M HN 0.562 nan 8.290 nan 0.000 0.449 216 G N 3.517 112.396 108.800 0.131 0.000 2.660 216 G HA2 0.828 4.787 3.960 -0.001 0.000 0.294 216 G HA3 0.828 4.787 3.960 -0.001 0.000 0.294 216 G C -1.999 173.005 174.900 0.173 0.000 1.369 216 G CA -0.596 44.612 45.100 0.179 0.000 0.912 216 G HN 0.796 nan 8.290 nan 0.000 0.479 217 F N -0.393 119.514 119.950 -0.071 0.000 2.665 217 F HA 0.772 5.299 4.527 0.001 0.000 0.308 217 F C -0.291 175.485 175.800 -0.039 0.000 1.112 217 F CA -1.487 56.468 58.000 -0.075 0.000 0.972 217 F CB 1.355 40.294 39.000 -0.103 0.000 1.295 217 F HN 0.623 nan 8.300 nan 0.000 0.440 218 S N 1.486 117.243 115.700 0.094 0.000 2.541 218 S HA 0.585 5.054 4.470 -0.001 0.000 0.283 218 S C -1.448 173.317 174.600 0.275 0.000 1.196 218 S CA -0.549 57.687 58.200 0.061 0.000 1.062 218 S CB 1.405 64.629 63.200 0.041 0.000 1.009 218 S HN 0.839 nan 8.310 nan 0.000 0.502 219 Y N 1.811 122.195 120.300 0.140 0.000 2.334 219 Y HA 0.426 4.975 4.550 -0.002 0.000 0.336 219 Y C -0.759 175.257 175.900 0.193 0.000 0.960 219 Y CA -0.833 57.425 58.100 0.263 0.000 1.164 219 Y CB 1.228 39.945 38.460 0.429 0.000 1.155 219 Y HN 0.854 nan 8.280 nan 0.000 0.478 220 D N 4.507 124.774 120.400 -0.221 0.000 2.396 220 D HA 0.202 4.841 4.640 -0.001 0.000 0.225 220 D C -0.764 175.388 176.300 -0.247 0.000 1.121 220 D CA -0.109 53.813 54.000 -0.129 0.000 0.853 220 D CB 0.942 41.693 40.800 -0.082 0.000 1.043 220 D HN 0.467 nan 8.370 nan 0.000 0.500 221 T N 4.059 118.652 114.554 0.065 0.000 2.832 221 T HA 0.133 4.482 4.350 -0.001 0.000 0.296 221 T C 0.441 175.241 174.700 0.166 0.000 0.968 221 T CA -0.520 61.704 62.100 0.206 0.000 1.107 221 T CB 0.727 69.940 68.868 0.575 0.000 0.916 221 T HN 0.292 nan 8.240 nan 0.000 0.517 222 R N 2.411 122.968 120.500 0.095 0.000 2.404 222 R HA 0.081 4.420 4.340 -0.001 0.000 0.315 222 R C 0.234 176.644 176.300 0.184 0.000 1.032 222 R CA -0.078 56.072 56.100 0.083 0.000 0.992 222 R CB -0.713 29.579 30.300 -0.014 0.000 0.959 222 R HN 0.964 nan 8.270 nan 0.000 0.428 223 C N 6.335 125.774 119.300 0.231 0.000 3.896 223 C HA -0.192 4.267 4.460 -0.001 0.000 0.300 223 C C 1.315 176.524 174.990 0.365 0.000 1.322 223 C CA 0.173 59.379 59.018 0.313 0.000 2.130 223 C CB -2.451 25.524 27.740 0.392 0.000 1.363 223 C HN 1.055 nan 8.230 nan 0.000 0.642 224 F N 1.831 121.908 119.950 0.212 0.000 2.087 224 F HA -0.148 4.378 4.527 -0.002 0.000 0.299 224 F C 1.843 177.761 175.800 0.197 0.000 1.100 224 F CA 2.581 60.706 58.000 0.207 0.000 1.226 224 F CB -0.110 39.001 39.000 0.184 0.000 0.983 224 F HN 0.564 nan 8.300 nan 0.000 0.479 225 D N -0.409 120.238 120.400 0.411 0.000 2.133 225 D HA -0.179 4.461 4.640 -0.001 0.000 0.195 225 D C 2.460 178.821 176.300 0.101 0.000 0.997 225 D CA 1.709 55.871 54.000 0.270 0.000 0.840 225 D CB -0.595 40.371 40.800 0.277 0.000 0.947 225 D HN 0.262 nan 8.370 nan 0.000 0.452 226 S N -0.492 115.286 115.700 0.129 0.000 2.447 226 S HA -0.102 4.367 4.470 -0.001 0.000 0.233 226 S C 2.008 176.560 174.600 -0.079 0.000 1.006 226 S CA 1.401 59.576 58.200 -0.041 0.000 0.957 226 S CB -0.183 62.983 63.200 -0.057 0.000 0.773 226 S HN 0.532 nan 8.310 nan 0.000 0.507 227 T N -0.648 113.941 114.554 0.057 0.000 3.088 227 T HA 0.140 4.489 4.350 -0.001 0.000 0.259 227 T C 0.584 175.209 174.700 -0.125 0.000 1.122 227 T CA 0.010 62.134 62.100 0.041 0.000 1.095 227 T CB -0.352 68.506 68.868 -0.016 0.000 0.930 227 T HN 0.025 nan 8.240 nan 0.000 0.508 228 V N 4.051 123.854 119.914 -0.185 0.000 2.479 228 V HA 0.327 4.446 4.120 -0.001 0.000 0.281 228 V C 1.108 177.148 176.094 -0.090 0.000 1.031 228 V CA -0.314 61.899 62.300 -0.145 0.000 1.038 228 V CB 0.153 31.931 31.823 -0.076 0.000 0.981 228 V HN 0.705 nan 8.190 nan 0.000 0.478 229 T N 0.780 115.297 114.554 -0.062 0.000 2.897 229 T HA 0.318 4.667 4.350 -0.001 0.000 0.278 229 T C 1.042 175.724 174.700 -0.030 0.000 0.981 229 T CA -0.339 61.731 62.100 -0.050 0.000 0.973 229 T CB 1.547 70.393 68.868 -0.038 0.000 1.092 229 T HN 0.689 nan 8.240 nan 0.000 0.543 230 E N 0.532 120.716 120.200 -0.027 0.000 2.085 230 E HA -0.294 4.055 4.350 -0.001 0.000 0.194 230 E C 1.943 178.545 176.600 0.003 0.000 0.994 230 E CA 1.715 58.112 56.400 -0.006 0.000 0.801 230 E CB -0.257 29.439 29.700 -0.006 0.000 0.743 230 E HN 0.767 nan 8.360 nan 0.000 0.453 231 N N 0.739 119.437 118.700 -0.004 0.000 2.037 231 N HA -0.221 4.518 4.740 -0.001 0.000 0.196 231 N C 1.464 176.989 175.510 0.025 0.000 1.034 231 N CA 2.293 55.347 53.050 0.007 0.000 0.861 231 N CB -0.176 38.305 38.487 -0.010 0.000 1.039 231 N HN 0.158 nan 8.380 nan 0.000 0.427 232 D N -0.144 120.269 120.400 0.023 0.000 2.117 232 D HA -0.115 4.524 4.640 -0.001 0.000 0.197 232 D C 1.975 178.287 176.300 0.020 0.000 0.987 232 D CA 0.986 55.011 54.000 0.042 0.000 0.829 232 D CB -0.258 40.560 40.800 0.030 0.000 0.961 232 D HN 0.475 nan 8.370 nan 0.000 0.460 233 I N 0.547 121.129 120.570 0.020 0.000 2.353 233 I HA -0.165 4.004 4.170 -0.001 0.000 0.248 233 I C 2.453 178.580 176.117 0.017 0.000 1.119 233 I CA 0.811 62.129 61.300 0.031 0.000 1.417 233 I CB -0.019 38.022 38.000 0.067 0.000 1.078 233 I HN -0.116 nan 8.210 nan 0.000 0.421 234 R N 0.030 120.539 120.500 0.015 0.000 2.073 234 R HA -0.064 4.275 4.340 -0.001 0.000 0.229 234 R C 2.340 178.622 176.300 -0.030 0.000 1.120 234 R CA 1.019 57.123 56.100 0.005 0.000 0.967 234 R CB -0.481 29.828 30.300 0.014 0.000 0.862 234 R HN 0.187 nan 8.270 nan 0.000 0.436 235 V N 1.648 121.548 119.914 -0.024 0.000 2.287 235 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 235 V C 2.012 178.016 176.094 -0.150 0.000 1.053 235 V CA 1.912 64.183 62.300 -0.049 0.000 1.027 235 V CB -0.455 31.377 31.823 0.014 0.000 0.646 235 V HN 0.343 nan 8.190 nan 0.000 0.447 236 E N -0.318 119.764 120.200 -0.196 0.000 2.070 236 E HA -0.297 4.052 4.350 -0.001 0.000 0.197 236 E C 2.330 178.465 176.600 -0.775 0.000 1.004 236 E CA 1.665 57.791 56.400 -0.458 0.000 0.805 236 E CB -0.194 29.285 29.700 -0.368 0.000 0.744 236 E HN 0.664 nan 8.360 nan 0.000 0.451 237 E N 0.360 120.328 120.200 -0.386 0.000 2.077 237 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 237 E C 2.089 178.611 176.600 -0.130 0.000 0.989 237 E CA 1.526 57.819 56.400 -0.179 0.000 0.800 237 E CB 0.022 29.752 29.700 0.049 0.000 0.746 237 E HN 0.250 nan 8.360 nan 0.000 0.452 238 S N 0.281 115.907 115.700 -0.123 0.000 2.402 238 S HA -0.129 4.340 4.470 -0.001 0.000 0.229 238 S C 2.035 176.588 174.600 -0.079 0.000 1.021 238 S CA 0.893 59.053 58.200 -0.066 0.000 0.974 238 S CB -0.507 62.663 63.200 -0.050 0.000 0.800 238 S HN 0.298 nan 8.310 nan 0.000 0.484 239 I N 0.177 120.646 120.570 -0.168 0.000 2.202 239 I HA -0.142 4.027 4.170 -0.001 0.000 0.242 239 I C 2.372 178.481 176.117 -0.013 0.000 1.091 239 I CA 1.359 62.578 61.300 -0.135 0.000 1.368 239 I CB -0.638 37.238 38.000 -0.207 0.000 1.058 239 I HN 0.206 nan 8.210 nan 0.000 0.410 240 Y N 1.312 121.605 120.300 -0.013 0.000 2.151 240 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 240 Y C 2.708 178.610 175.900 0.003 0.000 1.166 240 Y CA 0.810 58.908 58.100 -0.005 0.000 1.163 240 Y CB -1.159 37.314 38.460 0.021 0.000 0.974 240 Y HN 0.264 nan 8.280 nan 0.000 0.511 241 Q N -1.206 118.688 119.800 0.156 0.000 2.437 241 Q HA -0.114 4.225 4.340 -0.001 0.000 0.210 241 Q C 2.352 178.384 176.000 0.054 0.000 0.972 241 Q CA 0.940 56.798 55.803 0.092 0.000 0.903 241 Q CB -0.772 28.005 28.738 0.065 0.000 0.967 241 Q HN 0.528 nan 8.270 nan 0.000 0.486 242 C N 0.291 119.615 119.300 0.040 0.000 2.419 242 C HA -0.065 4.394 4.460 -0.001 0.000 0.281 242 C C 1.650 176.654 174.990 0.023 0.000 1.336 242 C CA -0.656 58.374 59.018 0.020 0.000 1.770 242 C CB -0.764 26.978 27.740 0.002 0.000 1.929 242 C HN 0.418 nan 8.230 nan 0.000 0.509 243 C N 2.061 121.384 119.300 0.038 0.000 2.702 243 C HA 0.079 4.538 4.460 -0.001 0.000 0.411 243 C C 0.614 175.619 174.990 0.026 0.000 1.286 243 C CA -0.169 58.866 59.018 0.029 0.000 1.979 243 C CB -0.361 27.400 27.740 0.035 0.000 2.728 243 C HN 0.511 nan 8.230 nan 0.000 0.652 244 D N 2.002 122.413 120.400 0.017 0.000 2.344 244 D HA 0.416 5.055 4.640 -0.001 0.000 0.253 244 D C -0.547 175.767 176.300 0.024 0.000 1.255 244 D CA 0.372 54.383 54.000 0.018 0.000 0.894 244 D CB -0.001 40.806 40.800 0.011 0.000 1.067 244 D HN 0.392 nan 8.370 nan 0.000 0.492 245 L N 1.960 123.202 121.223 0.031 0.000 2.333 245 L HA 0.649 4.988 4.340 -0.001 0.000 0.263 245 L C 0.369 177.266 176.870 0.044 0.000 1.014 245 L CA -1.529 53.335 54.840 0.041 0.000 0.820 245 L CB 1.795 43.886 42.059 0.052 0.000 1.352 245 L HN 0.303 nan 8.230 nan 0.000 0.421 246 A N 1.723 124.575 122.820 0.054 0.000 2.477 246 A HA 0.329 4.648 4.320 -0.001 0.000 0.246 246 A C -1.769 175.855 177.584 0.067 0.000 1.078 246 A CA -0.878 51.195 52.037 0.059 0.000 0.770 246 A CB -0.085 18.959 19.000 0.072 0.000 1.011 246 A HN 0.624 nan 8.150 nan 0.000 0.494 247 P HA -0.207 nan 4.420 nan 0.000 0.216 247 P C 1.193 178.527 177.300 0.057 0.000 1.154 247 P CA 1.695 64.822 63.100 0.046 0.000 0.865 247 P CB 0.196 31.918 31.700 0.036 0.000 0.789 248 E N -0.911 119.346 120.200 0.095 0.000 2.110 248 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 248 E C 2.047 178.737 176.600 0.150 0.000 0.988 248 E CA 1.155 57.636 56.400 0.135 0.000 0.804 248 E CB -0.438 29.426 29.700 0.273 0.000 0.745 248 E HN 0.149 nan 8.360 nan 0.000 0.458 249 A N 1.304 124.235 122.820 0.184 0.000 1.902 249 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 249 A C 2.035 179.674 177.584 0.091 0.000 1.181 249 A CA 1.144 53.289 52.037 0.180 0.000 0.623 249 A CB -0.356 18.737 19.000 0.156 0.000 0.818 249 A HN 0.096 nan 8.150 nan 0.000 0.443 250 R N -1.093 119.445 120.500 0.064 0.000 2.091 250 R HA -0.207 4.133 4.340 -0.001 0.000 0.238 250 R C 2.515 178.822 176.300 0.012 0.000 1.136 250 R CA 1.850 57.977 56.100 0.045 0.000 0.959 250 R CB -0.288 30.034 30.300 0.036 0.000 0.856 250 R HN 0.667 nan 8.270 nan 0.000 0.437 251 Q N 0.513 120.300 119.800 -0.021 0.000 2.046 251 Q HA -0.061 4.278 4.340 -0.001 0.000 0.200 251 Q C 1.923 177.841 176.000 -0.136 0.000 0.975 251 Q CA 1.927 57.686 55.803 -0.073 0.000 0.836 251 Q CB -0.220 28.462 28.738 -0.094 0.000 0.896 251 Q HN 0.322 nan 8.270 nan 0.000 0.428 252 A N 0.188 122.886 122.820 -0.203 0.000 1.902 252 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 252 A C 2.127 179.637 177.584 -0.123 0.000 1.181 252 A CA 1.555 53.409 52.037 -0.305 0.000 0.623 252 A CB -0.750 17.944 19.000 -0.510 0.000 0.818 252 A HN 0.489 nan 8.150 nan 0.000 0.443 253 I N -0.664 119.899 120.570 -0.012 0.000 2.252 253 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 253 I C 2.508 178.664 176.117 0.065 0.000 1.102 253 I CA 1.735 63.079 61.300 0.073 0.000 1.385 253 I CB -0.191 37.886 38.000 0.129 0.000 1.064 253 I HN 0.380 nan 8.210 nan 0.000 0.414 254 K N 0.471 120.885 120.400 0.024 0.000 2.026 254 K HA -0.224 4.096 4.320 -0.001 0.000 0.208 254 K C 2.369 178.950 176.600 -0.032 0.000 1.048 254 K CA 1.912 58.206 56.287 0.012 0.000 0.929 254 K CB -0.137 32.361 32.500 -0.004 0.000 0.713 254 K HN 0.122 nan 8.250 nan 0.000 0.439 255 S N 0.586 116.236 115.700 -0.083 0.000 2.356 255 S HA -0.086 4.383 4.470 -0.001 0.000 0.223 255 S C 1.965 176.470 174.600 -0.158 0.000 1.032 255 S CA 1.142 59.270 58.200 -0.121 0.000 1.005 255 S CB -0.277 62.823 63.200 -0.168 0.000 0.867 255 S HN 0.348 nan 8.310 nan 0.000 0.449 256 L N 0.770 121.871 121.223 -0.204 0.000 2.042 256 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 256 L C 2.780 179.342 176.870 -0.514 0.000 1.076 256 L CA 1.643 56.237 54.840 -0.410 0.000 0.749 256 L CB -1.067 40.722 42.059 -0.449 0.000 0.893 256 L HN 0.342 nan 8.230 nan 0.000 0.432 257 T N -0.948 113.508 114.554 -0.164 0.000 2.674 257 T HA -0.169 4.180 4.350 -0.001 0.000 0.265 257 T C 1.799 176.502 174.700 0.005 0.000 1.039 257 T CA 1.317 63.455 62.100 0.063 0.000 1.150 257 T CB -0.122 68.852 68.868 0.177 0.000 0.864 257 T HN 0.312 nan 8.240 nan 0.000 0.427 258 E N 0.990 121.175 120.200 -0.025 0.000 2.106 258 E HA -0.031 4.318 4.350 -0.001 0.000 0.192 258 E C 2.370 178.951 176.600 -0.031 0.000 0.984 258 E CA 0.957 57.347 56.400 -0.016 0.000 0.806 258 E CB -0.129 29.557 29.700 -0.022 0.000 0.750 258 E HN 0.460 nan 8.360 nan 0.000 0.458 259 R N -0.553 119.899 120.500 -0.080 0.000 2.223 259 R HA 0.107 4.446 4.340 -0.001 0.000 0.198 259 R C 1.812 178.055 176.300 -0.094 0.000 0.984 259 R CA 0.292 56.346 56.100 -0.076 0.000 1.018 259 R CB 0.299 30.543 30.300 -0.093 0.000 0.945 259 R HN 0.046 nan 8.270 nan 0.000 0.479 260 L N -2.266 118.864 121.223 -0.154 0.000 2.658 260 L HA 0.185 4.525 4.340 -0.001 0.000 0.201 260 L C 1.226 178.095 176.870 -0.002 0.000 1.050 260 L CA 0.728 55.483 54.840 -0.142 0.000 0.893 260 L CB -0.223 41.669 42.059 -0.279 0.000 1.503 260 L HN -0.139 nan 8.230 nan 0.000 0.485 261 Y N 1.513 121.833 120.300 0.032 0.000 2.242 261 Y HA -0.045 4.504 4.550 -0.001 0.000 0.291 261 Y C 2.548 178.460 175.900 0.020 0.000 1.137 261 Y CA 1.491 59.619 58.100 0.046 0.000 1.181 261 Y CB -1.087 37.425 38.460 0.087 0.000 0.989 261 Y HN 0.369 nan 8.280 nan 0.000 0.527 262 I N -2.571 118.090 120.570 0.151 0.000 2.394 262 I HA 0.274 4.443 4.170 -0.001 0.000 0.251 262 I C 1.114 177.247 176.117 0.027 0.000 1.136 262 I CA 1.246 62.593 61.300 0.078 0.000 1.425 262 I CB -0.419 37.616 38.000 0.058 0.000 1.079 262 I HN 0.126 nan 8.210 nan 0.000 0.425 263 G N -0.546 108.254 108.800 -0.001 0.000 2.324 263 G HA2 0.488 4.447 3.960 -0.001 0.000 0.293 263 G HA3 0.488 4.447 3.960 -0.001 0.000 0.293 263 G C -0.858 173.912 174.900 -0.217 0.000 1.297 263 G CA -0.242 44.800 45.100 -0.098 0.000 0.853 263 G HN 0.787 nan 8.290 nan 0.000 0.535 264 G N -0.983 107.414 108.800 -0.671 0.000 2.336 264 G HA2 0.665 4.624 3.960 -0.001 0.000 0.300 264 G HA3 0.665 4.624 3.960 -0.001 0.000 0.300 264 G C -3.477 170.734 174.900 -1.148 0.000 1.375 264 G CA 0.118 44.725 45.100 -0.821 0.000 0.885 264 G HN 0.808 nan 8.290 nan 0.000 0.599 265 P HA 0.473 nan 4.420 nan 0.000 0.275 265 P C -0.544 176.641 177.300 -0.190 0.000 1.228 265 P CA -0.167 62.760 63.100 -0.288 0.000 0.786 265 P CB 1.105 32.799 31.700 -0.011 0.000 0.927 266 L N 2.202 123.367 121.223 -0.096 0.000 2.305 266 L HA 0.434 4.774 4.340 -0.001 0.000 0.284 266 L C 0.426 177.297 176.870 0.003 0.000 1.013 266 L CA -0.214 54.604 54.840 -0.037 0.000 0.819 266 L CB 1.598 43.677 42.059 0.032 0.000 1.227 266 L HN 0.253 nan 8.230 nan 0.000 0.417 267 T N 1.665 116.199 114.554 -0.034 0.000 2.807 267 T HA 0.319 4.668 4.350 -0.001 0.000 0.279 267 T C -0.082 174.598 174.700 -0.033 0.000 0.993 267 T CA -0.797 61.287 62.100 -0.027 0.000 0.970 267 T CB 1.350 70.186 68.868 -0.052 0.000 0.950 267 T HN 0.644 nan 8.240 nan 0.000 0.441 268 N N 0.977 119.675 118.700 -0.002 0.000 2.327 268 N HA 0.086 4.826 4.740 -0.001 0.000 0.257 268 N C 1.474 176.975 175.510 -0.015 0.000 1.281 268 N CA -0.196 52.854 53.050 -0.000 0.000 0.942 268 N CB 0.111 38.608 38.487 0.018 0.000 1.199 268 N HN 0.448 nan 8.380 nan 0.000 0.532 269 S N -1.060 114.641 115.700 0.002 0.000 2.442 269 S HA -0.120 4.350 4.470 -0.001 0.000 0.236 269 S C 0.938 175.536 174.600 -0.002 0.000 1.007 269 S CA 0.780 58.984 58.200 0.006 0.000 0.965 269 S CB -0.445 62.773 63.200 0.030 0.000 0.773 269 S HN 0.650 nan 8.310 nan 0.000 0.504 270 K N 0.687 121.087 120.400 -0.001 0.000 2.417 270 K HA 0.337 4.656 4.320 -0.001 0.000 0.196 270 K C 1.175 177.770 176.600 -0.008 0.000 1.023 270 K CA 0.335 56.620 56.287 -0.002 0.000 1.122 270 K CB 0.006 32.509 32.500 0.005 0.000 0.850 270 K HN 0.504 nan 8.250 nan 0.000 0.521 271 G N 1.490 110.281 108.800 -0.016 0.000 2.157 271 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.248 271 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.248 271 G C -0.252 174.646 174.900 -0.004 0.000 0.979 271 G CA -0.139 44.949 45.100 -0.020 0.000 0.650 271 G HN 0.358 nan 8.290 nan 0.000 0.529 272 Q N 0.196 119.999 119.800 0.006 0.000 2.259 272 Q HA 0.333 4.672 4.340 -0.001 0.000 0.249 272 Q C 0.361 176.379 176.000 0.031 0.000 0.914 272 Q CA -0.556 55.259 55.803 0.020 0.000 0.904 272 Q CB 0.984 29.737 28.738 0.025 0.000 1.213 272 Q HN 0.390 nan 8.270 nan 0.000 0.428 273 N N 1.760 120.485 118.700 0.042 0.000 2.420 273 N HA 0.013 4.752 4.740 -0.001 0.000 0.262 273 N C -0.271 175.294 175.510 0.091 0.000 1.144 273 N CA -0.335 52.750 53.050 0.059 0.000 0.952 273 N CB 0.597 39.120 38.487 0.060 0.000 1.081 273 N HN 0.615 nan 8.380 nan 0.000 0.480 274 C N 2.924 122.296 119.300 0.120 0.000 2.634 274 C HA 0.400 4.859 4.460 -0.001 0.000 0.268 274 C C 1.249 176.421 174.990 0.302 0.000 1.322 274 C CA 0.521 59.663 59.018 0.207 0.000 1.737 274 C CB -1.028 26.850 27.740 0.231 0.000 1.976 274 C HN 0.963 nan 8.230 nan 0.000 0.547 275 G N -1.310 107.594 108.800 0.173 0.000 2.334 275 G HA2 0.256 4.215 3.960 -0.001 0.000 0.249 275 G HA3 0.256 4.215 3.960 -0.001 0.000 0.249 275 G C -2.087 172.846 174.900 0.054 0.000 1.327 275 G CA -0.440 44.716 45.100 0.093 0.000 0.979 275 G HN 0.027 nan 8.290 nan 0.000 0.471 276 Y N 0.751 120.933 120.300 -0.198 0.000 2.457 276 Y HA 0.748 5.297 4.550 -0.002 0.000 0.343 276 Y C 0.051 175.825 175.900 -0.210 0.000 0.994 276 Y CA -0.823 57.182 58.100 -0.158 0.000 1.031 276 Y CB 1.967 40.349 38.460 -0.130 0.000 1.246 276 Y HN 0.699 nan 8.280 nan 0.000 0.449 277 R N 4.848 125.122 120.500 -0.377 0.000 2.346 277 R HA 0.545 4.884 4.340 -0.001 0.000 0.311 277 R C -0.721 175.404 176.300 -0.291 0.000 0.983 277 R CA -0.563 55.313 56.100 -0.374 0.000 0.880 277 R CB 0.852 30.994 30.300 -0.264 0.000 1.100 277 R HN 0.900 nan 8.270 nan 0.000 0.453 278 R N 3.477 123.775 120.500 -0.336 0.000 2.727 278 R HA 0.217 4.557 4.340 -0.001 0.000 0.410 278 R C -0.653 175.502 176.300 -0.243 0.000 1.101 278 R CA -0.320 55.671 56.100 -0.182 0.000 1.045 278 R CB 0.426 30.659 30.300 -0.112 0.000 1.380 278 R HN 0.790 nan 8.270 nan 0.000 0.587 279 C N -2.025 117.088 119.300 -0.312 0.000 3.311 279 C HA 0.603 5.062 4.460 -0.001 0.000 0.366 279 C C -0.414 174.503 174.990 -0.123 0.000 1.694 279 C CA -1.520 57.352 59.018 -0.243 0.000 1.244 279 C CB 1.251 28.773 27.740 -0.365 0.000 2.038 279 C HN 0.400 nan 8.230 nan 0.000 0.436 280 R N 1.301 121.780 120.500 -0.035 0.000 2.522 280 R HA 0.482 4.821 4.340 -0.001 0.000 0.284 280 R C 0.146 176.502 176.300 0.092 0.000 1.032 280 R CA 0.979 57.114 56.100 0.059 0.000 1.049 280 R CB -0.073 30.302 30.300 0.124 0.000 0.956 280 R HN 1.261 nan 8.270 nan 0.000 0.422 281 A N 3.631 126.522 122.820 0.118 0.000 2.409 281 A HA 0.216 4.536 4.320 -0.001 0.000 0.262 281 A C 0.951 178.641 177.584 0.176 0.000 1.113 281 A CA 0.102 52.233 52.037 0.157 0.000 0.790 281 A CB 0.389 19.492 19.000 0.172 0.000 1.046 281 A HN 1.015 nan 8.150 nan 0.000 0.496 282 S N 2.025 117.845 115.700 0.200 0.000 2.489 282 S HA 0.087 4.556 4.470 -0.001 0.000 0.228 282 S C 1.070 175.778 174.600 0.181 0.000 0.995 282 S CA 0.676 58.991 58.200 0.192 0.000 0.934 282 S CB 0.093 63.413 63.200 0.201 0.000 0.771 282 S HN 1.248 nan 8.310 nan 0.000 0.522 283 G N 2.016 110.945 108.800 0.216 0.000 4.644 283 G HA2 0.530 4.489 3.960 -0.001 0.000 0.307 283 G HA3 0.530 4.489 3.960 -0.001 0.000 0.307 283 G C -0.200 174.839 174.900 0.231 0.000 1.331 283 G CA -0.160 45.074 45.100 0.223 0.000 1.059 283 G HN 0.567 nan 8.290 nan 0.000 0.590 284 V N -2.307 117.723 119.914 0.192 0.000 3.074 284 V HA 0.593 4.712 4.120 -0.001 0.000 0.314 284 V C 1.305 177.484 176.094 0.141 0.000 1.117 284 V CA -0.948 61.479 62.300 0.212 0.000 1.014 284 V CB 1.704 33.716 31.823 0.316 0.000 1.057 284 V HN 0.080 nan 8.190 nan 0.000 0.438 285 L N 2.287 123.608 121.223 0.162 0.000 2.079 285 L HA -0.041 4.298 4.340 -0.001 0.000 0.210 285 L C 2.303 179.191 176.870 0.030 0.000 1.081 285 L CA 3.100 58.016 54.840 0.128 0.000 0.752 285 L CB -0.699 41.459 42.059 0.166 0.000 0.896 285 L HN 1.092 nan 8.230 nan 0.000 0.433 286 T N -5.983 108.506 114.554 -0.107 0.000 3.129 286 T HA 0.008 4.357 4.350 -0.001 0.000 0.251 286 T C 1.589 176.236 174.700 -0.088 0.000 1.117 286 T CA 0.705 62.694 62.100 -0.185 0.000 1.034 286 T CB -0.634 67.956 68.868 -0.463 0.000 0.968 286 T HN 0.246 nan 8.240 nan 0.000 0.526 287 T N 2.103 116.639 114.554 -0.030 0.000 2.652 287 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 287 T C 2.224 176.953 174.700 0.049 0.000 1.039 287 T CA 1.850 63.973 62.100 0.037 0.000 1.153 287 T CB -0.662 68.254 68.868 0.080 0.000 0.863 287 T HN 0.545 nan 8.240 nan 0.000 0.428 288 S N -0.307 115.395 115.700 0.004 0.000 2.345 288 S HA -0.147 4.323 4.470 -0.001 0.000 0.220 288 S C 2.450 177.064 174.600 0.023 0.000 1.031 288 S CA 1.438 59.623 58.200 -0.026 0.000 0.996 288 S CB -0.955 62.110 63.200 -0.226 0.000 0.882 288 S HN 0.661 nan 8.310 nan 0.000 0.445 289 C N 1.285 120.575 119.300 -0.017 0.000 2.432 289 C HA 0.105 4.564 4.460 -0.001 0.000 0.277 289 C C 2.853 177.904 174.990 0.101 0.000 1.249 289 C CA 1.085 60.121 59.018 0.031 0.000 1.725 289 C CB -1.819 25.905 27.740 -0.026 0.000 2.028 289 C HN 0.724 nan 8.230 nan 0.000 0.477 290 G N 0.588 109.457 108.800 0.115 0.000 2.446 290 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.217 290 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.217 290 G C 1.509 176.509 174.900 0.167 0.000 1.168 290 G CA 1.195 46.372 45.100 0.128 0.000 0.771 290 G HN 0.595 nan 8.290 nan 0.000 0.551 291 N N 0.382 119.189 118.700 0.179 0.000 2.120 291 N HA -0.078 4.661 4.740 -0.001 0.000 0.188 291 N C 2.445 178.012 175.510 0.095 0.000 1.024 291 N CA 1.670 54.839 53.050 0.198 0.000 0.852 291 N CB -0.818 37.703 38.487 0.056 0.000 1.003 291 N HN 0.271 nan 8.380 nan 0.000 0.424 292 T N 1.879 116.502 114.554 0.116 0.000 2.674 292 T HA -0.034 4.315 4.350 -0.001 0.000 0.265 292 T C 2.168 176.964 174.700 0.161 0.000 1.039 292 T CA 0.775 62.965 62.100 0.150 0.000 1.150 292 T CB -0.422 68.614 68.868 0.281 0.000 0.864 292 T HN 0.120 nan 8.240 nan 0.000 0.427 293 L N 0.611 121.904 121.223 0.117 0.000 2.012 293 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 293 L C 2.962 179.936 176.870 0.173 0.000 1.073 293 L CA 1.350 56.241 54.840 0.085 0.000 0.748 293 L CB -1.036 41.030 42.059 0.012 0.000 0.891 293 L HN 0.295 nan 8.230 nan 0.000 0.431 294 T N -1.516 113.163 114.554 0.208 0.000 2.812 294 T HA -0.211 4.138 4.350 -0.001 0.000 0.264 294 T C 2.016 176.928 174.700 0.353 0.000 1.042 294 T CA 1.368 63.625 62.100 0.262 0.000 1.140 294 T CB -0.411 68.635 68.868 0.296 0.000 0.870 294 T HN 0.462 nan 8.240 nan 0.000 0.445 295 C N 0.804 120.363 119.300 0.432 0.000 2.413 295 C HA -0.123 4.336 4.460 -0.001 0.000 0.276 295 C C 2.407 177.562 174.990 0.275 0.000 1.236 295 C CA 0.737 59.986 59.018 0.385 0.000 1.735 295 C CB -1.400 26.420 27.740 0.134 0.000 2.031 295 C HN 0.661 nan 8.230 nan 0.000 0.474 296 Y N 1.053 121.423 120.300 0.117 0.000 2.181 296 Y HA -0.106 4.444 4.550 -0.001 0.000 0.288 296 Y C 2.141 178.073 175.900 0.052 0.000 1.146 296 Y CA 2.070 60.217 58.100 0.079 0.000 1.164 296 Y CB -0.648 37.846 38.460 0.056 0.000 0.982 296 Y HN 0.343 nan 8.280 nan 0.000 0.515 297 L N 1.035 122.385 121.223 0.212 0.000 1.994 297 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 297 L C 2.155 178.979 176.870 -0.076 0.000 1.071 297 L CA 2.039 56.889 54.840 0.016 0.000 0.745 297 L CB -0.855 41.181 42.059 -0.038 0.000 0.892 297 L HN 0.145 nan 8.230 nan 0.000 0.431 298 K N -0.625 119.793 120.400 0.030 0.000 2.057 298 K HA -0.045 4.274 4.320 -0.001 0.000 0.206 298 K C 2.083 178.726 176.600 0.071 0.000 1.050 298 K CA 1.244 57.556 56.287 0.043 0.000 0.935 298 K CB -0.366 32.246 32.500 0.187 0.000 0.715 298 K HN 0.494 nan 8.250 nan 0.000 0.439 299 A N 1.030 123.880 122.820 0.049 0.000 1.898 299 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 299 A C 2.200 179.818 177.584 0.057 0.000 1.181 299 A CA 1.742 53.828 52.037 0.081 0.000 0.620 299 A CB -0.499 18.611 19.000 0.183 0.000 0.819 299 A HN 0.165 nan 8.150 nan 0.000 0.442 300 S N 0.123 115.743 115.700 -0.133 0.000 2.368 300 S HA -0.062 4.407 4.470 -0.001 0.000 0.225 300 S C 2.299 176.857 174.600 -0.070 0.000 1.030 300 S CA 1.238 59.322 58.200 -0.193 0.000 0.999 300 S CB -0.488 62.440 63.200 -0.453 0.000 0.844 300 S HN 0.793 nan 8.310 nan 0.000 0.459 301 A N 1.613 124.411 122.820 -0.036 0.000 1.902 301 A HA 0.144 4.463 4.320 -0.001 0.000 0.217 301 A C 2.368 180.023 177.584 0.120 0.000 1.181 301 A CA 1.646 53.724 52.037 0.068 0.000 0.623 301 A CB -1.087 17.955 19.000 0.071 0.000 0.818 301 A HN 0.514 nan 8.150 nan 0.000 0.443 302 A N -0.958 121.937 122.820 0.126 0.000 1.933 302 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 302 A C 2.291 179.881 177.584 0.010 0.000 1.175 302 A CA 1.647 53.602 52.037 -0.136 0.000 0.628 302 A CB -1.297 17.233 19.000 -0.783 0.000 0.814 302 A HN 0.596 nan 8.150 nan 0.000 0.444 303 C N -0.774 118.662 119.300 0.227 0.000 2.413 303 C HA -0.132 4.328 4.460 -0.001 0.000 0.276 303 C C 2.897 177.912 174.990 0.041 0.000 1.236 303 C CA 1.252 60.430 59.018 0.266 0.000 1.735 303 C CB -1.340 26.509 27.740 0.182 0.000 2.031 303 C HN 0.628 nan 8.230 nan 0.000 0.474 304 R N 1.167 121.597 120.500 -0.116 0.000 2.081 304 R HA -0.102 4.237 4.340 -0.001 0.000 0.235 304 R C 2.408 178.448 176.300 -0.433 0.000 1.131 304 R CA 1.618 57.513 56.100 -0.341 0.000 0.960 304 R CB -0.597 29.351 30.300 -0.588 0.000 0.856 304 R HN 0.552 nan 8.270 nan 0.000 0.436 305 A N 1.566 124.165 122.820 -0.368 0.000 1.883 305 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 305 A C 2.318 179.890 177.584 -0.019 0.000 1.186 305 A CA 1.785 53.762 52.037 -0.101 0.000 0.624 305 A CB -0.635 18.362 19.000 -0.004 0.000 0.822 305 A HN 0.405 nan 8.150 nan 0.000 0.444 306 A N -1.554 121.274 122.820 0.013 0.000 2.206 306 A HA 0.206 4.525 4.320 -0.001 0.000 0.211 306 A C 1.066 178.674 177.584 0.040 0.000 1.158 306 A CA 1.018 53.090 52.037 0.059 0.000 0.761 306 A CB -0.474 18.625 19.000 0.164 0.000 0.801 306 A HN 0.535 nan 8.150 nan 0.000 0.473 307 K N -1.804 118.605 120.400 0.014 0.000 3.129 307 K HA -0.156 4.164 4.320 -0.001 0.000 0.273 307 K C -0.809 175.803 176.600 0.019 0.000 1.123 307 K CA 0.243 56.536 56.287 0.010 0.000 0.800 307 K CB -1.816 30.695 32.500 0.017 0.000 1.238 307 K HN 0.332 nan 8.250 nan 0.000 0.492 308 L N 1.852 123.097 121.223 0.038 0.000 2.453 308 L HA 0.009 4.348 4.340 -0.001 0.000 0.272 308 L C 0.814 177.694 176.870 0.018 0.000 1.182 308 L CA 0.996 55.858 54.840 0.038 0.000 0.858 308 L CB 0.579 42.682 42.059 0.074 0.000 1.120 308 L HN 0.079 nan 8.230 nan 0.000 0.474 309 Q N 2.608 122.411 119.800 0.006 0.000 2.257 309 Q HA 0.166 4.505 4.340 -0.001 0.000 0.255 309 Q C -0.075 175.915 176.000 -0.016 0.000 0.920 309 Q CA -0.492 55.307 55.803 -0.005 0.000 0.927 309 Q CB 1.032 29.764 28.738 -0.010 0.000 1.229 309 Q HN 0.536 nan 8.270 nan 0.000 0.433 310 D N 0.718 121.109 120.400 -0.015 0.000 2.697 310 D HA -0.171 4.468 4.640 -0.001 0.000 0.238 310 D C -1.068 175.215 176.300 -0.028 0.000 1.152 310 D CA 0.208 54.195 54.000 -0.023 0.000 0.666 310 D CB -0.968 39.809 40.800 -0.037 0.000 1.037 310 D HN 0.553 nan 8.370 nan 0.000 0.423 311 C N 0.759 120.049 119.300 -0.017 0.000 2.648 311 C HA 0.432 4.891 4.460 -0.001 0.000 0.419 311 C C 0.977 175.957 174.990 -0.017 0.000 1.352 311 C CA -0.044 58.960 59.018 -0.024 0.000 1.816 311 C CB 0.364 28.097 27.740 -0.012 0.000 2.598 311 C HN 0.429 nan 8.230 nan 0.000 0.598 312 T N 5.508 120.044 114.554 -0.030 0.000 2.809 312 T HA 0.374 4.723 4.350 -0.001 0.000 0.284 312 T C -0.178 174.532 174.700 0.016 0.000 0.992 312 T CA -0.367 61.745 62.100 0.020 0.000 0.957 312 T CB 0.979 69.850 68.868 0.004 0.000 0.942 312 T HN 0.450 nan 8.240 nan 0.000 0.439 313 M N 3.320 122.965 119.600 0.075 0.000 2.274 313 M HA 0.575 5.054 4.480 -0.001 0.000 0.344 313 M C -0.870 175.532 176.300 0.170 0.000 1.161 313 M CA -1.152 54.191 55.300 0.072 0.000 1.126 313 M CB 0.779 33.440 32.600 0.101 0.000 1.522 313 M HN 0.460 nan 8.290 nan 0.000 0.461 314 L N 4.405 125.691 121.223 0.105 0.000 2.404 314 L HA 0.748 5.087 4.340 -0.001 0.000 0.272 314 L C -1.688 175.189 176.870 0.013 0.000 0.980 314 L CA -0.361 54.547 54.840 0.114 0.000 0.836 314 L CB 1.599 43.753 42.059 0.160 0.000 1.238 314 L HN 0.473 nan 8.230 nan 0.000 0.408 315 V N 4.001 123.904 119.914 -0.019 0.000 2.531 315 V HA 0.602 4.721 4.120 -0.001 0.000 0.301 315 V C -0.788 175.143 176.094 -0.271 0.000 1.034 315 V CA -0.637 61.630 62.300 -0.055 0.000 0.865 315 V CB 1.922 33.809 31.823 0.107 0.000 0.995 315 V HN 0.788 nan 8.190 nan 0.000 0.424 316 N N 3.506 122.005 118.700 -0.336 0.000 2.617 316 N HA 0.617 5.356 4.740 -0.001 0.000 0.263 316 N C 0.585 176.005 175.510 -0.150 0.000 1.074 316 N CA 0.511 53.177 53.050 -0.640 0.000 0.841 316 N CB 1.762 39.712 38.487 -0.894 0.000 1.221 316 N HN 1.094 nan 8.380 nan 0.000 0.529 317 G N 2.515 111.375 108.800 0.100 0.000 2.622 317 G HA2 -0.419 3.540 3.960 -0.001 0.000 0.307 317 G HA3 -0.419 3.540 3.960 -0.001 0.000 0.307 317 G C 0.609 175.357 174.900 -0.253 0.000 1.226 317 G CA 0.907 46.015 45.100 0.014 0.000 0.997 317 G HN 0.636 nan 8.290 nan 0.000 0.551 318 D N 1.139 121.296 120.400 -0.403 0.000 2.349 318 D HA 0.095 4.734 4.640 -0.001 0.000 0.224 318 D C 0.537 176.715 176.300 -0.204 0.000 1.029 318 D CA 0.911 54.518 54.000 -0.655 0.000 0.879 318 D CB -0.139 40.254 40.800 -0.679 0.000 0.906 318 D HN 0.406 nan 8.370 nan 0.000 0.528 319 D N 0.549 120.881 120.400 -0.113 0.000 2.316 319 D HA 0.259 4.898 4.640 -0.001 0.000 0.245 319 D C -1.004 175.275 176.300 -0.034 0.000 1.171 319 D CA -0.480 53.494 54.000 -0.043 0.000 0.856 319 D CB 0.840 41.609 40.800 -0.050 0.000 1.090 319 D HN 0.062 nan 8.370 nan 0.000 0.476 320 L N 5.322 126.562 121.223 0.028 0.000 2.409 320 L HA 0.469 4.809 4.340 -0.001 0.000 0.272 320 L C -1.641 175.218 176.870 -0.019 0.000 0.980 320 L CA -0.687 54.176 54.840 0.039 0.000 0.826 320 L CB 1.881 44.030 42.059 0.150 0.000 1.268 320 L HN 0.138 nan 8.230 nan 0.000 0.407 321 V N 5.964 125.824 119.914 -0.090 0.000 2.735 321 V HA 0.780 4.899 4.120 -0.001 0.000 0.310 321 V C -1.251 174.664 176.094 -0.298 0.000 1.061 321 V CA -0.394 61.787 62.300 -0.198 0.000 0.913 321 V CB 2.413 34.160 31.823 -0.126 0.000 1.005 321 V HN 0.561 nan 8.190 nan 0.000 0.428 322 V N 7.463 127.014 119.914 -0.604 0.000 2.540 322 V HA 0.575 4.694 4.120 -0.001 0.000 0.302 322 V C -0.348 175.506 176.094 -0.401 0.000 1.035 322 V CA -0.483 61.466 62.300 -0.585 0.000 0.873 322 V CB 1.777 33.014 31.823 -0.977 0.000 0.992 322 V HN 0.720 nan 8.190 nan 0.000 0.428 323 I N 4.977 125.435 120.570 -0.187 0.000 2.406 323 I HA 0.683 4.852 4.170 -0.001 0.000 0.290 323 I C 0.030 176.086 176.117 -0.102 0.000 0.999 323 I CA -0.328 60.920 61.300 -0.087 0.000 1.124 323 I CB 1.568 39.558 38.000 -0.016 0.000 1.289 323 I HN 0.889 nan 8.210 nan 0.000 0.441 324 C N 2.846 122.090 119.300 -0.093 0.000 3.336 324 C HA 0.577 5.037 4.460 -0.001 0.000 0.352 324 C C -0.514 174.408 174.990 -0.113 0.000 1.567 324 C CA -0.869 58.101 59.018 -0.079 0.000 1.328 324 C CB 1.880 29.610 27.740 -0.017 0.000 1.922 324 C HN 0.630 nan 8.230 nan 0.000 0.439 325 E N 1.674 121.826 120.200 -0.080 0.000 2.289 325 E HA 0.301 4.650 4.350 -0.001 0.000 0.278 325 E C 0.018 176.596 176.600 -0.036 0.000 1.032 325 E CA 0.411 56.762 56.400 -0.081 0.000 0.854 325 E CB 1.706 31.369 29.700 -0.061 0.000 1.046 325 E HN 0.692 nan 8.360 nan 0.000 0.409 326 S N 1.356 117.044 115.700 -0.020 0.000 2.562 326 S HA 0.223 4.693 4.470 -0.001 0.000 0.281 326 S C 0.568 175.181 174.600 0.022 0.000 1.333 326 S CA 0.135 58.366 58.200 0.051 0.000 1.052 326 S CB 0.542 63.809 63.200 0.111 0.000 0.884 326 S HN 0.548 nan 8.310 nan 0.000 0.506 327 A N 3.264 126.103 122.820 0.033 0.000 2.465 327 A HA 0.633 4.953 4.320 -0.001 0.000 0.255 327 A C 0.848 178.437 177.584 0.008 0.000 1.274 327 A CA 0.296 52.340 52.037 0.012 0.000 0.920 327 A CB -0.736 18.271 19.000 0.011 0.000 1.033 327 A HN 1.750 nan 8.150 nan 0.000 0.516 328 G N -1.769 107.039 108.800 0.012 0.000 2.742 328 G HA2 0.065 4.024 3.960 -0.001 0.000 0.686 328 G HA3 0.065 4.024 3.960 -0.001 0.000 0.686 328 G C 0.351 175.253 174.900 0.003 0.000 1.220 328 G CA -0.487 44.603 45.100 -0.016 0.000 0.783 328 G HN 0.555 nan 8.290 nan 0.000 0.646 329 V N 1.875 121.750 119.914 -0.066 0.000 2.255 329 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 329 V C 2.966 179.088 176.094 0.046 0.000 1.051 329 V CA 2.770 65.047 62.300 -0.038 0.000 1.018 329 V CB -0.610 31.077 31.823 -0.227 0.000 0.641 329 V HN 0.794 nan 8.190 nan 0.000 0.445 330 Q N -0.371 119.432 119.800 0.006 0.000 2.124 330 Q HA -0.258 4.081 4.340 -0.001 0.000 0.202 330 Q C 2.267 178.276 176.000 0.016 0.000 0.977 330 Q CA 1.789 57.599 55.803 0.012 0.000 0.850 330 Q CB -0.308 28.428 28.738 -0.002 0.000 0.901 330 Q HN 0.691 nan 8.270 nan 0.000 0.429 331 E N 1.343 121.551 120.200 0.014 0.000 2.072 331 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 331 E C 1.396 178.005 176.600 0.015 0.000 0.985 331 E CA 1.178 57.585 56.400 0.011 0.000 0.801 331 E CB -0.053 29.652 29.700 0.008 0.000 0.750 331 E HN 0.215 nan 8.360 nan 0.000 0.452 332 D N 0.046 120.470 120.400 0.040 0.000 2.133 332 D HA -0.187 4.452 4.640 -0.001 0.000 0.195 332 D C 1.736 178.025 176.300 -0.019 0.000 0.997 332 D CA 1.640 55.658 54.000 0.030 0.000 0.840 332 D CB -0.491 40.381 40.800 0.120 0.000 0.947 332 D HN 0.329 nan 8.370 nan 0.000 0.452 333 A N 0.837 123.663 122.820 0.009 0.000 1.972 333 A HA -0.002 4.318 4.320 -0.001 0.000 0.219 333 A C 2.299 179.866 177.584 -0.028 0.000 1.169 333 A CA 2.027 54.054 52.037 -0.017 0.000 0.635 333 A CB -0.544 18.462 19.000 0.010 0.000 0.810 333 A HN 0.243 nan 8.150 nan 0.000 0.446 334 A N -0.680 122.131 122.820 -0.014 0.000 1.898 334 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 334 A C 2.423 179.998 177.584 -0.015 0.000 1.181 334 A CA 1.875 53.906 52.037 -0.010 0.000 0.620 334 A CB -0.827 18.171 19.000 -0.003 0.000 0.819 334 A HN 0.425 nan 8.150 nan 0.000 0.442 335 S N 0.095 115.781 115.700 -0.022 0.000 2.370 335 S HA -0.103 4.366 4.470 -0.001 0.000 0.226 335 S C 1.774 176.353 174.600 -0.036 0.000 1.033 335 S CA 1.473 59.661 58.200 -0.021 0.000 1.011 335 S CB -0.426 62.758 63.200 -0.027 0.000 0.852 335 S HN 0.520 nan 8.310 nan 0.000 0.457 336 L N 0.658 121.808 121.223 -0.122 0.000 2.141 336 L HA -0.032 4.308 4.340 -0.001 0.000 0.209 336 L C 2.524 179.388 176.870 -0.010 0.000 1.094 336 L CA 1.071 55.798 54.840 -0.189 0.000 0.763 336 L CB -0.593 41.236 42.059 -0.383 0.000 0.908 336 L HN 0.248 nan 8.230 nan 0.000 0.437 337 R N -0.223 120.272 120.500 -0.007 0.000 2.096 337 R HA -0.110 4.229 4.340 -0.001 0.000 0.235 337 R C 2.295 178.612 176.300 0.028 0.000 1.127 337 R CA 1.063 57.175 56.100 0.021 0.000 0.968 337 R CB -0.460 29.842 30.300 0.005 0.000 0.861 337 R HN 0.149 nan 8.270 nan 0.000 0.440 338 V N 0.475 120.404 119.914 0.025 0.000 2.307 338 V HA -0.221 3.898 4.120 -0.001 0.000 0.245 338 V C 1.885 177.986 176.094 0.012 0.000 1.045 338 V CA 1.639 63.946 62.300 0.011 0.000 1.024 338 V CB -0.572 31.260 31.823 0.014 0.000 0.651 338 V HN 0.200 nan 8.190 nan 0.000 0.449 339 F N 1.646 121.547 119.950 -0.081 0.000 2.063 339 F HA -0.300 4.226 4.527 -0.002 0.000 0.298 339 F C 2.454 178.192 175.800 -0.103 0.000 1.109 339 F CA 2.543 60.490 58.000 -0.088 0.000 1.212 339 F CB -0.569 38.378 39.000 -0.090 0.000 0.973 339 F HN 0.130 nan 8.300 nan 0.000 0.480 340 T N -0.219 114.413 114.554 0.131 0.000 2.821 340 T HA -0.178 4.172 4.350 -0.001 0.000 0.267 340 T C 1.676 176.359 174.700 -0.028 0.000 1.046 340 T CA 1.631 63.807 62.100 0.127 0.000 1.139 340 T CB -0.332 68.696 68.868 0.267 0.000 0.871 340 T HN 0.399 nan 8.240 nan 0.000 0.454 341 E N 1.064 121.227 120.200 -0.060 0.000 2.110 341 E HA -0.051 4.298 4.350 -0.001 0.000 0.193 341 E C 2.511 178.975 176.600 -0.227 0.000 0.988 341 E CA 0.999 57.336 56.400 -0.104 0.000 0.804 341 E CB -0.187 29.467 29.700 -0.077 0.000 0.745 341 E HN 0.488 nan 8.360 nan 0.000 0.458 342 A N 1.067 123.687 122.820 -0.333 0.000 1.872 342 A HA -0.154 4.165 4.320 -0.001 0.000 0.214 342 A C 2.133 179.247 177.584 -0.783 0.000 1.187 342 A CA 1.048 52.732 52.037 -0.589 0.000 0.614 342 A CB -0.267 18.417 19.000 -0.527 0.000 0.826 342 A HN 0.103 nan 8.150 nan 0.000 0.442 343 M N -0.033 119.228 119.600 -0.564 0.000 2.106 343 M HA -0.134 4.345 4.480 -0.001 0.000 0.259 343 M C 2.160 178.375 176.300 -0.141 0.000 1.068 343 M CA 2.100 57.199 55.300 -0.334 0.000 1.100 343 M CB -1.948 30.386 32.600 -0.445 0.000 1.351 343 M HN 0.454 nan 8.290 nan 0.000 0.404 344 T N -0.149 114.325 114.554 -0.134 0.000 2.777 344 T HA -0.100 4.249 4.350 -0.001 0.000 0.266 344 T C 1.983 176.625 174.700 -0.097 0.000 1.040 344 T CA 1.067 63.132 62.100 -0.058 0.000 1.141 344 T CB -0.164 68.678 68.868 -0.043 0.000 0.868 344 T HN 0.374 nan 8.240 nan 0.000 0.444 345 R N 0.008 120.383 120.500 -0.208 0.000 2.120 345 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 345 R C 1.806 178.045 176.300 -0.100 0.000 1.123 345 R CA 1.120 57.103 56.100 -0.196 0.000 0.975 345 R CB -0.281 29.838 30.300 -0.301 0.000 0.866 345 R HN 0.433 nan 8.270 nan 0.000 0.446 346 Y N 0.047 120.287 120.300 -0.099 0.000 2.578 346 Y HA 0.061 4.610 4.550 -0.000 0.000 0.297 346 Y C 0.916 176.764 175.900 -0.087 0.000 1.176 346 Y CA -0.160 57.867 58.100 -0.121 0.000 1.315 346 Y CB -0.241 38.169 38.460 -0.082 0.000 1.031 346 Y HN -0.044 nan 8.280 nan 0.000 0.524 347 S N -0.221 115.521 115.700 0.070 0.000 3.978 347 S HA -0.050 4.419 4.470 -0.001 0.000 0.402 347 S C -0.167 174.462 174.600 0.048 0.000 0.927 347 S CA 0.423 58.652 58.200 0.049 0.000 1.197 347 S CB -1.447 61.770 63.200 0.027 0.000 0.855 347 S HN 0.766 nan 8.310 nan 0.000 0.524 348 A N 1.719 124.590 122.820 0.085 0.000 3.399 348 A HA 0.612 4.932 4.320 -0.001 0.000 0.262 348 A C -2.786 174.940 177.584 0.236 0.000 1.145 348 A CA -0.842 51.283 52.037 0.147 0.000 0.916 348 A CB 0.774 19.899 19.000 0.209 0.000 1.360 348 A HN 0.392 nan 8.150 nan 0.000 0.628 349 P HA 0.342 nan 4.420 nan 0.000 0.272 349 P C -2.725 174.647 177.300 0.121 0.000 1.230 349 P CA -1.092 62.079 63.100 0.119 0.000 0.788 349 P CB 0.358 32.052 31.700 -0.009 0.000 0.949 350 P HA 0.132 nan 4.420 nan 0.000 0.281 350 P C 0.423 177.661 177.300 -0.103 0.000 1.249 350 P CA -0.051 62.954 63.100 -0.158 0.000 0.810 350 P CB 1.097 32.688 31.700 -0.181 0.000 1.008 351 G N 1.597 110.325 108.800 -0.120 0.000 2.583 351 G HA2 0.005 3.964 3.960 -0.001 0.000 0.215 351 G HA3 0.005 3.964 3.960 -0.001 0.000 0.215 351 G C -0.140 174.717 174.900 -0.071 0.000 1.481 351 G CA 0.062 45.122 45.100 -0.067 0.000 0.948 351 G HN 0.483 nan 8.290 nan 0.000 0.511 352 D N 2.251 122.608 120.400 -0.073 0.000 2.351 352 D HA 0.296 4.936 4.640 -0.001 0.000 0.251 352 D C -2.278 173.980 176.300 -0.071 0.000 1.137 352 D CA -0.812 53.156 54.000 -0.054 0.000 0.879 352 D CB 1.273 42.052 40.800 -0.035 0.000 1.181 352 D HN -0.021 nan 8.370 nan 0.000 0.448 353 P HA 0.081 nan 4.420 nan 0.000 0.265 353 P C -2.251 175.051 177.300 0.003 0.000 1.193 353 P CA -0.792 62.301 63.100 -0.012 0.000 0.765 353 P CB -0.207 31.495 31.700 0.003 0.000 0.823 354 P HA 0.041 nan 4.420 nan 0.000 0.269 354 P C -0.952 176.348 177.300 0.000 0.000 1.209 354 P CA 0.069 63.218 63.100 0.082 0.000 0.776 354 P CB 0.518 32.316 31.700 0.164 0.000 0.876 355 Q N 2.011 121.824 119.800 0.021 0.000 2.337 355 Q HA 0.638 4.978 4.340 -0.001 0.000 0.270 355 Q C -2.913 173.078 176.000 -0.016 0.000 1.043 355 Q CA -2.468 53.329 55.803 -0.010 0.000 0.794 355 Q CB 1.675 30.421 28.738 0.013 0.000 1.281 355 Q HN 0.189 nan 8.270 nan 0.000 0.446 356 P HA 0.160 nan 4.420 nan 0.000 0.271 356 P C -0.916 176.233 177.300 -0.253 0.000 1.216 356 P CA 0.002 63.001 63.100 -0.168 0.000 0.776 356 P CB 0.738 32.351 31.700 -0.145 0.000 0.881 357 E N 1.653 121.623 120.200 -0.383 0.000 2.293 357 E HA 0.240 4.589 4.350 -0.001 0.000 0.270 357 E C -0.612 175.757 176.600 -0.385 0.000 0.879 357 E CA -0.401 55.841 56.400 -0.263 0.000 0.756 357 E CB 1.466 31.126 29.700 -0.067 0.000 1.208 357 E HN 0.414 nan 8.360 nan 0.000 0.428 358 Y N -0.353 120.087 120.300 0.232 0.000 2.481 358 Y HA 0.197 4.747 4.550 -0.001 0.000 0.247 358 Y C 0.348 176.482 175.900 0.391 0.000 1.151 358 Y CA -0.394 57.913 58.100 0.345 0.000 1.238 358 Y CB 1.058 39.625 38.460 0.178 0.000 1.179 358 Y HN 0.217 nan 8.280 nan 0.000 0.524 359 D N 0.610 121.129 120.400 0.200 0.000 2.481 359 D HA 0.114 4.753 4.640 -0.001 0.000 0.246 359 D C 0.749 176.789 176.300 -0.433 0.000 1.109 359 D CA -0.307 53.668 54.000 -0.042 0.000 0.845 359 D CB 1.820 42.621 40.800 0.002 0.000 1.160 359 D HN 0.131 nan 8.370 nan 0.000 0.534 360 L N 4.502 125.133 121.223 -0.986 0.000 2.081 360 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 360 L C 1.588 178.129 176.870 -0.549 0.000 1.080 360 L CA 1.933 56.068 54.840 -1.174 0.000 0.754 360 L CB -0.299 40.859 42.059 -1.502 0.000 0.893 360 L HN 0.497 nan 8.230 nan 0.000 0.433 361 E N -0.608 119.368 120.200 -0.373 0.000 2.338 361 E HA -0.160 4.189 4.350 -0.001 0.000 0.197 361 E C 1.959 178.463 176.600 -0.161 0.000 1.007 361 E CA 0.908 57.176 56.400 -0.220 0.000 0.849 361 E CB -0.176 29.437 29.700 -0.145 0.000 0.774 361 E HN 0.573 nan 8.360 nan 0.000 0.506 362 L N 0.700 121.825 121.223 -0.163 0.000 2.567 362 L HA 0.187 4.526 4.340 -0.001 0.000 0.225 362 L C 0.812 177.625 176.870 -0.095 0.000 1.119 362 L CA -0.133 54.648 54.840 -0.097 0.000 0.871 362 L CB 0.175 42.199 42.059 -0.058 0.000 1.036 362 L HN 0.014 nan 8.230 nan 0.000 0.459 363 I N 0.167 120.651 120.570 -0.143 0.000 2.441 363 I HA 0.073 4.242 4.170 -0.001 0.000 0.287 363 I C 0.105 176.172 176.117 -0.084 0.000 1.049 363 I CA 0.216 61.452 61.300 -0.107 0.000 1.381 363 I CB 1.247 39.166 38.000 -0.135 0.000 1.409 363 I HN -0.089 nan 8.210 nan 0.000 0.523 364 T N 5.046 119.573 114.554 -0.045 0.000 2.743 364 T HA 0.420 4.769 4.350 -0.001 0.000 0.292 364 T C -0.170 174.520 174.700 -0.016 0.000 0.972 364 T CA -0.628 61.457 62.100 -0.024 0.000 0.967 364 T CB 0.764 69.627 68.868 -0.008 0.000 0.926 364 T HN 0.734 nan 8.240 nan 0.000 0.459 365 S N 0.922 116.613 115.700 -0.014 0.000 2.541 365 S HA 0.404 4.873 4.470 -0.001 0.000 0.280 365 S C 0.190 174.798 174.600 0.013 0.000 1.112 365 S CA -0.822 57.371 58.200 -0.012 0.000 0.925 365 S CB 0.656 63.832 63.200 -0.041 0.000 1.067 365 S HN 0.877 nan 8.310 nan 0.000 0.479 366 C N 2.425 121.734 119.300 0.015 0.000 3.886 366 C HA -0.160 4.299 4.460 -0.001 0.000 0.295 366 C C 1.310 176.367 174.990 0.111 0.000 1.411 366 C CA 0.727 59.779 59.018 0.057 0.000 2.059 366 C CB -3.362 24.409 27.740 0.051 0.000 1.329 366 C HN 1.686 nan 8.230 nan 0.000 0.670 367 S N -1.899 113.853 115.700 0.087 0.000 3.445 367 S HA -0.197 4.272 4.470 -0.001 0.000 0.319 367 S C 0.219 174.882 174.600 0.105 0.000 1.209 367 S CA 1.185 59.439 58.200 0.090 0.000 0.934 367 S CB -1.054 62.212 63.200 0.108 0.000 0.999 367 S HN 1.045 nan 8.310 nan 0.000 0.582 368 S N 1.823 117.586 115.700 0.105 0.000 2.595 368 S HA 0.722 5.191 4.470 -0.001 0.000 0.281 368 S C -0.460 174.167 174.600 0.045 0.000 1.117 368 S CA -0.997 57.283 58.200 0.135 0.000 0.873 368 S CB 1.683 65.021 63.200 0.230 0.000 1.108 368 S HN 0.584 nan 8.310 nan 0.000 0.477 369 N N -0.204 118.509 118.700 0.023 0.000 2.229 369 N HA 0.423 5.162 4.740 -0.001 0.000 0.298 369 N C -1.078 174.370 175.510 -0.104 0.000 1.114 369 N CA -0.582 52.435 53.050 -0.054 0.000 0.776 369 N CB 1.161 39.608 38.487 -0.067 0.000 1.501 369 N HN 0.310 nan 8.380 nan 0.000 0.474 370 V N 0.832 120.653 119.914 -0.156 0.000 2.673 370 V HA 0.179 4.298 4.120 -0.001 0.000 0.303 370 V C 0.686 176.645 176.094 -0.224 0.000 1.046 370 V CA 0.453 62.635 62.300 -0.197 0.000 1.126 370 V CB 0.572 32.262 31.823 -0.221 0.000 0.934 370 V HN 0.873 nan 8.190 nan 0.000 0.487 371 S N 2.995 118.478 115.700 -0.361 0.000 2.705 371 S HA 0.787 5.256 4.470 -0.001 0.000 0.280 371 S C -1.278 173.138 174.600 -0.305 0.000 1.174 371 S CA -0.334 57.665 58.200 -0.336 0.000 0.823 371 S CB 2.044 65.012 63.200 -0.387 0.000 1.162 371 S HN 0.833 nan 8.310 nan 0.000 0.487 372 V N 1.082 120.937 119.914 -0.099 0.000 2.709 372 V HA 0.972 5.091 4.120 -0.001 0.000 0.308 372 V C -0.345 175.751 176.094 0.003 0.000 1.062 372 V CA 0.301 62.533 62.300 -0.114 0.000 0.901 372 V CB 1.034 32.640 31.823 -0.362 0.000 1.003 372 V HN 1.318 nan 8.190 nan 0.000 0.425 373 A N 5.123 127.836 122.820 -0.179 0.000 2.486 373 A HA 0.908 5.227 4.320 -0.001 0.000 0.277 373 A C -1.083 176.078 177.584 -0.706 0.000 1.282 373 A CA -0.646 51.124 52.037 -0.446 0.000 0.784 373 A CB 1.709 20.242 19.000 -0.778 0.000 1.350 373 A HN 0.970 nan 8.150 nan 0.000 0.454 374 H N 0.288 119.046 119.070 -0.520 0.000 2.600 374 H HA 0.354 4.909 4.556 -0.002 0.000 0.357 374 H C -1.085 174.009 175.328 -0.390 0.000 1.106 374 H CA -0.438 55.339 56.048 -0.452 0.000 1.193 374 H CB 1.849 31.294 29.762 -0.530 0.000 1.594 374 H HN 0.916 nan 8.280 nan 0.000 0.526 375 D N 0.970 121.317 120.400 -0.087 0.000 2.440 375 D HA 0.156 4.795 4.640 -0.001 0.000 0.269 375 D C 1.406 177.819 176.300 0.189 0.000 1.249 375 D CA -0.274 53.739 54.000 0.023 0.000 1.055 375 D CB 0.340 41.141 40.800 0.001 0.000 1.104 375 D HN 0.442 nan 8.370 nan 0.000 0.561 376 A N -0.321 122.592 122.820 0.155 0.000 1.948 376 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 376 A C 2.173 179.826 177.584 0.115 0.000 1.177 376 A CA 2.078 54.191 52.037 0.128 0.000 0.636 376 A CB -1.052 17.986 19.000 0.064 0.000 0.815 376 A HN 0.470 nan 8.150 nan 0.000 0.449 377 S N -2.047 113.707 115.700 0.090 0.000 2.522 377 S HA 0.305 4.774 4.470 -0.001 0.000 0.227 377 S C 1.502 176.150 174.600 0.080 0.000 0.986 377 S CA 1.047 59.286 58.200 0.066 0.000 0.929 377 S CB -0.043 63.184 63.200 0.044 0.000 0.769 377 S HN 1.685 nan 8.310 nan 0.000 0.529 378 G N 1.745 110.617 108.800 0.121 0.000 2.157 378 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.248 378 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.248 378 G C 0.069 175.051 174.900 0.137 0.000 0.979 378 G CA 0.283 45.451 45.100 0.114 0.000 0.650 378 G HN 0.518 nan 8.290 nan 0.000 0.529 379 K N 0.857 121.299 120.400 0.069 0.000 2.382 379 K HA 0.406 4.725 4.320 -0.001 0.000 0.275 379 K C 0.931 177.480 176.600 -0.086 0.000 1.009 379 K CA -0.572 55.725 56.287 0.017 0.000 0.970 379 K CB 0.276 32.772 32.500 -0.007 0.000 0.934 379 K HN 0.331 nan 8.250 nan 0.000 0.479 380 R N 1.887 122.273 120.500 -0.190 0.000 2.537 380 R HA 0.121 4.460 4.340 -0.001 0.000 0.280 380 R C -0.776 175.276 176.300 -0.413 0.000 1.058 380 R CA -0.275 55.522 56.100 -0.504 0.000 1.057 380 R CB 0.710 30.718 30.300 -0.486 0.000 0.973 380 R HN 0.271 nan 8.270 nan 0.000 0.438 381 V N 4.641 124.273 119.914 -0.470 0.000 2.483 381 V HA 0.230 4.350 4.120 -0.001 0.000 0.297 381 V C -0.856 175.091 176.094 -0.245 0.000 1.027 381 V CA -0.938 61.199 62.300 -0.271 0.000 0.855 381 V CB 1.115 32.828 31.823 -0.183 0.000 0.995 381 V HN 0.572 nan 8.190 nan 0.000 0.424 382 Y N 5.130 125.417 120.300 -0.021 0.000 2.304 382 Y HA 0.615 5.164 4.550 -0.002 0.000 0.327 382 Y C 0.077 176.040 175.900 0.104 0.000 1.209 382 Y CA -0.044 58.051 58.100 -0.009 0.000 1.299 382 Y CB 1.024 39.438 38.460 -0.076 0.000 1.249 382 Y HN 0.741 nan 8.280 nan 0.000 0.519 383 Y N -0.775 119.585 120.300 0.100 0.000 2.656 383 Y HA 0.703 5.252 4.550 -0.001 0.000 0.334 383 Y C -2.243 173.706 175.900 0.082 0.000 1.179 383 Y CA -2.045 56.090 58.100 0.058 0.000 1.050 383 Y CB 0.667 39.130 38.460 0.006 0.000 1.308 383 Y HN 0.407 nan 8.280 nan 0.000 0.456 384 L N 2.514 123.780 121.223 0.071 0.000 2.309 384 L HA 0.755 5.094 4.340 -0.001 0.000 0.282 384 L C 0.235 177.272 176.870 0.279 0.000 1.036 384 L CA -0.394 54.480 54.840 0.055 0.000 0.806 384 L CB 1.884 43.997 42.059 0.091 0.000 1.220 384 L HN 0.992 nan 8.230 nan 0.000 0.429 385 T N 2.430 117.119 114.554 0.225 0.000 2.716 385 T HA 0.819 5.168 4.350 -0.001 0.000 0.286 385 T C -1.312 173.542 174.700 0.256 0.000 1.052 385 T CA -0.665 61.668 62.100 0.387 0.000 1.024 385 T CB 1.621 70.697 68.868 0.348 0.000 1.349 385 T HN 0.779 nan 8.240 nan 0.000 0.525 386 R N 0.447 121.042 120.500 0.160 0.000 2.733 386 R HA 0.458 4.798 4.340 -0.001 0.000 0.272 386 R C -1.456 174.692 176.300 -0.253 0.000 1.029 386 R CA -1.008 55.050 56.100 -0.069 0.000 0.888 386 R CB 0.419 30.622 30.300 -0.162 0.000 1.251 386 R HN 0.530 nan 8.270 nan 0.000 0.464 387 D N 2.253 122.502 120.400 -0.251 0.000 2.472 387 D HA 0.021 4.660 4.640 -0.001 0.000 0.248 387 D C -1.344 174.600 176.300 -0.594 0.000 1.174 387 D CA -0.991 52.811 54.000 -0.331 0.000 0.883 387 D CB 1.159 41.843 40.800 -0.194 0.000 1.149 387 D HN 0.350 nan 8.370 nan 0.000 0.488 388 P HA 0.014 nan 4.420 nan 0.000 0.253 388 P C 1.098 178.046 177.300 -0.587 0.000 1.260 388 P CA 0.042 62.426 63.100 -1.193 0.000 0.800 388 P CB 0.314 31.148 31.700 -1.444 0.000 1.162 389 T N -0.031 114.307 114.554 -0.359 0.000 2.607 389 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 389 T C 1.749 176.367 174.700 -0.137 0.000 1.049 389 T CA 2.438 64.427 62.100 -0.185 0.000 1.162 389 T CB -1.048 67.760 68.868 -0.100 0.000 0.863 389 T HN 0.210 nan 8.240 nan 0.000 0.424 390 T N 2.124 116.598 114.554 -0.133 0.000 2.737 390 T HA -0.034 4.315 4.350 -0.001 0.000 0.265 390 T C -0.572 174.063 174.700 -0.107 0.000 1.038 390 T CA 1.062 63.108 62.100 -0.089 0.000 1.144 390 T CB -1.243 67.601 68.868 -0.040 0.000 0.866 390 T HN 0.333 nan 8.240 nan 0.000 0.434 391 P HA -0.029 nan 4.420 nan 0.000 0.216 391 P C 1.398 178.711 177.300 0.022 0.000 1.150 391 P CA 0.986 64.055 63.100 -0.052 0.000 0.843 391 P CB -0.177 31.449 31.700 -0.124 0.000 0.787 392 L N -1.622 119.570 121.223 -0.052 0.000 2.095 392 L HA -0.024 4.315 4.340 -0.001 0.000 0.204 392 L C 2.513 179.414 176.870 0.051 0.000 1.080 392 L CA 1.111 55.956 54.840 0.007 0.000 0.759 392 L CB -1.181 40.841 42.059 -0.061 0.000 0.914 392 L HN -0.078 nan 8.230 nan 0.000 0.439 393 A N 0.644 123.479 122.820 0.025 0.000 1.892 393 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 393 A C 2.389 180.037 177.584 0.105 0.000 1.188 393 A CA 1.915 53.989 52.037 0.062 0.000 0.631 393 A CB -0.526 18.482 19.000 0.014 0.000 0.822 393 A HN 0.336 nan 8.150 nan 0.000 0.447 394 R N -0.863 119.671 120.500 0.055 0.000 2.090 394 R HA 0.025 4.364 4.340 -0.001 0.000 0.228 394 R C 2.505 178.954 176.300 0.250 0.000 1.110 394 R CA 1.037 57.188 56.100 0.084 0.000 0.973 394 R CB -0.442 29.845 30.300 -0.022 0.000 0.869 394 R HN 0.516 nan 8.270 nan 0.000 0.440 395 A N 1.354 124.346 122.820 0.287 0.000 1.940 395 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 395 A C 2.358 180.197 177.584 0.426 0.000 1.176 395 A CA 1.732 54.062 52.037 0.489 0.000 0.631 395 A CB -0.618 18.710 19.000 0.548 0.000 0.814 395 A HN 0.396 nan 8.150 nan 0.000 0.446 396 A N -1.394 121.580 122.820 0.257 0.000 1.933 396 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 396 A C 2.078 179.787 177.584 0.208 0.000 1.175 396 A CA 1.341 53.487 52.037 0.181 0.000 0.628 396 A CB -0.811 18.273 19.000 0.139 0.000 0.814 396 A HN 0.831 nan 8.150 nan 0.000 0.444 397 W N 0.874 122.226 121.300 0.087 0.000 2.354 397 W HA -0.155 4.504 4.660 -0.001 0.000 0.315 397 W C 1.758 178.333 176.519 0.093 0.000 1.206 397 W CA 1.997 59.380 57.345 0.063 0.000 1.290 397 W CB -0.390 29.091 29.460 0.035 0.000 1.152 397 W HN 0.534 nan 8.180 nan 0.000 0.489 398 E N -0.785 119.697 120.200 0.470 0.000 2.268 398 E HA -0.146 4.203 4.350 -0.001 0.000 0.195 398 E C 1.984 178.783 176.600 0.331 0.000 0.995 398 E CA 1.598 58.249 56.400 0.418 0.000 0.836 398 E CB -0.153 29.846 29.700 0.497 0.000 0.763 398 E HN 0.080 nan 8.360 nan 0.000 0.491 399 T N 0.089 114.823 114.554 0.301 0.000 2.833 399 T HA -0.108 4.241 4.350 -0.001 0.000 0.269 399 T C 1.704 176.404 174.700 0.001 0.000 1.054 399 T CA 1.272 63.466 62.100 0.157 0.000 1.135 399 T CB 0.031 68.998 68.868 0.166 0.000 0.869 399 T HN 0.224 nan 8.240 nan 0.000 0.466 400 A N -0.002 122.781 122.820 -0.062 0.000 2.288 400 A HA 0.338 4.657 4.320 -0.001 0.000 0.216 400 A C 0.947 178.404 177.584 -0.212 0.000 1.199 400 A CA -0.046 51.893 52.037 -0.164 0.000 0.891 400 A CB 0.503 19.366 19.000 -0.229 0.000 0.923 400 A HN 0.088 nan 8.150 nan 0.000 0.500 401 R N 0.374 120.770 120.500 -0.172 0.000 2.574 401 R HA 0.336 4.675 4.340 -0.001 0.000 0.288 401 R C -1.648 174.631 176.300 -0.036 0.000 1.004 401 R CA -0.513 55.513 56.100 -0.124 0.000 0.895 401 R CB 0.881 31.140 30.300 -0.067 0.000 1.191 401 R HN 0.513 nan 8.270 nan 0.000 0.444 402 H N 0.866 120.002 119.070 0.110 0.000 2.929 402 H HA 0.136 4.691 4.556 -0.001 0.000 0.317 402 H C 0.645 176.048 175.328 0.125 0.000 1.031 402 H CA 0.758 56.875 56.048 0.117 0.000 1.466 402 H CB 0.743 30.548 29.762 0.071 0.000 1.482 402 H HN 0.520 nan 8.280 nan 0.000 0.561 403 T N 0.197 114.892 114.554 0.236 0.000 2.907 403 T HA 0.256 4.605 4.350 -0.001 0.000 0.292 403 T C -1.821 172.914 174.700 0.058 0.000 1.043 403 T CA -2.172 60.018 62.100 0.150 0.000 1.003 403 T CB 1.757 70.719 68.868 0.157 0.000 1.084 403 T HN 0.245 nan 8.240 nan 0.000 0.483 404 P HA 0.130 nan 4.420 nan 0.000 0.220 404 P C -0.203 177.063 177.300 -0.058 0.000 1.148 404 P CA 0.366 63.420 63.100 -0.077 0.000 0.803 404 P CB 0.139 31.793 31.700 -0.077 0.000 0.782 405 V N 0.916 120.807 119.914 -0.038 0.000 2.531 405 V HA 0.233 4.352 4.120 -0.001 0.000 0.301 405 V C -0.279 175.772 176.094 -0.072 0.000 1.034 405 V CA -0.839 61.426 62.300 -0.059 0.000 0.865 405 V CB 1.862 33.651 31.823 -0.055 0.000 0.995 405 V HN -0.043 nan 8.190 nan 0.000 0.424 406 N N 2.933 121.537 118.700 -0.159 0.000 2.645 406 N HA 0.082 4.821 4.740 -0.001 0.000 0.233 406 N C 1.304 176.586 175.510 -0.380 0.000 1.058 406 N CA 0.133 53.005 53.050 -0.296 0.000 0.942 406 N CB 1.655 39.803 38.487 -0.565 0.000 1.210 406 N HN 0.832 nan 8.380 nan 0.000 0.512 407 S N 1.805 117.407 115.700 -0.163 0.000 2.423 407 S HA -0.109 4.360 4.470 -0.001 0.000 0.231 407 S C 1.872 176.428 174.600 -0.074 0.000 1.014 407 S CA 0.094 58.237 58.200 -0.095 0.000 0.965 407 S CB -0.397 62.794 63.200 -0.015 0.000 0.785 407 S HN 0.787 nan 8.310 nan 0.000 0.495 408 W N 1.491 122.704 121.300 -0.146 0.000 2.338 408 W HA -0.085 4.574 4.660 -0.002 0.000 0.304 408 W C 1.695 178.113 176.519 -0.168 0.000 1.212 408 W CA 0.600 57.803 57.345 -0.238 0.000 1.264 408 W CB -1.055 27.875 29.460 -0.884 0.000 1.142 408 W HN 0.369 nan 8.180 nan 0.000 0.512 409 L N 2.808 123.426 121.223 -1.009 0.000 2.072 409 L HA 0.160 4.499 4.340 -0.001 0.000 0.205 409 L C 2.728 179.406 176.870 -0.321 0.000 1.079 409 L CA 2.836 57.166 54.840 -0.851 0.000 0.752 409 L CB -1.366 39.917 42.059 -1.292 0.000 0.906 409 L HN 0.054 nan 8.230 nan 0.000 0.436 410 G N -0.517 108.115 108.800 -0.280 0.000 2.440 410 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.218 410 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.218 410 G C 1.465 176.365 174.900 0.001 0.000 1.154 410 G CA 0.896 45.915 45.100 -0.136 0.000 0.767 410 G HN 0.449 nan 8.290 nan 0.000 0.552 411 N N 0.636 119.395 118.700 0.097 0.000 2.120 411 N HA -0.045 4.694 4.740 -0.001 0.000 0.188 411 N C 2.263 177.901 175.510 0.213 0.000 1.024 411 N CA 0.811 54.038 53.050 0.295 0.000 0.852 411 N CB -0.254 38.471 38.487 0.397 0.000 1.003 411 N HN 0.357 nan 8.380 nan 0.000 0.424 412 I N 0.881 121.541 120.570 0.150 0.000 2.226 412 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 412 I C 2.007 178.159 176.117 0.059 0.000 1.100 412 I CA 0.921 62.291 61.300 0.116 0.000 1.374 412 I CB -0.179 37.965 38.000 0.240 0.000 1.057 412 I HN 0.044 nan 8.210 nan 0.000 0.413 413 I N -0.106 120.499 120.570 0.058 0.000 2.179 413 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 413 I C 2.417 178.601 176.117 0.111 0.000 1.088 413 I CA 1.306 62.653 61.300 0.078 0.000 1.357 413 I CB -0.191 37.842 38.000 0.055 0.000 1.051 413 I HN 0.214 nan 8.210 nan 0.000 0.409 414 M N -1.072 118.528 119.600 -0.000 0.000 2.388 414 M HA -0.041 4.438 4.480 -0.001 0.000 0.265 414 M C 0.916 177.012 176.300 -0.340 0.000 1.088 414 M CA 1.442 56.645 55.300 -0.161 0.000 1.134 414 M CB -0.507 31.890 32.600 -0.339 0.000 1.384 414 M HN 0.190 nan 8.290 nan 0.000 0.447 415 Y N -0.518 119.758 120.300 -0.041 0.000 2.720 415 Y HA 0.471 5.020 4.550 -0.001 0.000 0.268 415 Y C 1.842 177.455 175.900 -0.478 0.000 1.142 415 Y CA -0.315 57.636 58.100 -0.247 0.000 1.193 415 Y CB -0.822 37.411 38.460 -0.379 0.000 1.176 415 Y HN 0.154 nan 8.280 nan 0.000 0.542 416 A N 1.024 123.613 122.820 -0.385 0.000 1.958 416 A HA -0.178 4.142 4.320 -0.001 0.000 0.221 416 A C -0.406 176.858 177.584 -0.535 0.000 1.178 416 A CA 1.740 53.505 52.037 -0.452 0.000 0.642 416 A CB -1.394 17.344 19.000 -0.437 0.000 0.816 416 A HN 0.281 nan 8.150 nan 0.000 0.453 417 P HA 0.026 nan 4.420 nan 0.000 0.237 417 P C 0.610 177.628 177.300 -0.469 0.000 1.178 417 P CA 1.200 63.990 63.100 -0.515 0.000 0.766 417 P CB -0.349 31.069 31.700 -0.470 0.000 0.876 418 T N -2.842 111.431 114.554 -0.469 0.000 2.904 418 T HA 0.167 4.516 4.350 -0.001 0.000 0.290 418 T C 1.081 175.376 174.700 -0.676 0.000 1.018 418 T CA -0.698 61.095 62.100 -0.512 0.000 1.075 418 T CB 0.711 69.099 68.868 -0.799 0.000 0.986 418 T HN -0.185 nan 8.240 nan 0.000 0.523 419 L N 2.191 122.935 121.223 -0.799 0.000 2.012 419 L HA 0.015 4.355 4.340 -0.001 0.000 0.210 419 L C 2.408 178.958 176.870 -0.534 0.000 1.073 419 L CA 1.776 56.080 54.840 -0.892 0.000 0.748 419 L CB -0.905 40.535 42.059 -1.032 0.000 0.891 419 L HN 0.923 nan 8.230 nan 0.000 0.431 420 W N -0.790 120.287 121.300 -0.371 0.000 2.418 420 W HA 0.053 4.712 4.660 -0.001 0.000 0.292 420 W C 2.008 178.377 176.519 -0.249 0.000 1.213 420 W CA 0.804 57.968 57.345 -0.301 0.000 1.283 420 W CB -1.400 27.921 29.460 -0.232 0.000 1.119 420 W HN 0.311 nan 8.180 nan 0.000 0.542 421 A N 1.903 124.289 122.820 -0.723 0.000 1.898 421 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 421 A C 2.252 179.673 177.584 -0.271 0.000 1.181 421 A CA 1.736 53.483 52.037 -0.483 0.000 0.620 421 A CB -0.768 17.793 19.000 -0.733 0.000 0.819 421 A HN 0.300 nan 8.150 nan 0.000 0.442 422 R N -1.011 119.248 120.500 -0.402 0.000 2.062 422 R HA 0.011 4.350 4.340 -0.001 0.000 0.231 422 R C 2.266 178.367 176.300 -0.331 0.000 1.136 422 R CA 1.773 57.654 56.100 -0.365 0.000 0.948 422 R CB -0.346 29.607 30.300 -0.577 0.000 0.845 422 R HN 0.505 nan 8.270 nan 0.000 0.430 423 M N -0.355 118.900 119.600 -0.576 0.000 2.287 423 M HA -0.006 4.474 4.480 -0.001 0.000 0.266 423 M C 1.982 178.186 176.300 -0.161 0.000 1.079 423 M CA 1.448 56.422 55.300 -0.543 0.000 1.146 423 M CB 0.130 32.343 32.600 -0.644 0.000 1.374 423 M HN 0.121 nan 8.290 nan 0.000 0.435 424 I N -0.665 119.684 120.570 -0.369 0.000 2.900 424 I HA -0.103 4.066 4.170 -0.001 0.000 0.251 424 I C 2.090 178.023 176.117 -0.306 0.000 1.102 424 I CA 0.398 61.228 61.300 -0.784 0.000 1.457 424 I CB -0.205 37.253 38.000 -0.903 0.000 1.285 424 I HN 0.138 nan 8.210 nan 0.000 0.459 425 L N 0.259 121.483 121.223 0.002 0.000 2.017 425 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 425 L C 2.695 179.851 176.870 0.476 0.000 1.073 425 L CA 1.586 56.618 54.840 0.320 0.000 0.745 425 L CB -0.465 41.829 42.059 0.392 0.000 0.894 425 L HN 0.273 nan 8.230 nan 0.000 0.432 426 M N -0.765 119.076 119.600 0.401 0.000 2.080 426 M HA -0.203 4.276 4.480 -0.001 0.000 0.260 426 M C 2.330 179.123 176.300 0.822 0.000 1.068 426 M CA 2.148 57.788 55.300 0.568 0.000 1.109 426 M CB -0.659 32.058 32.600 0.195 0.000 1.342 426 M HN 0.266 nan 8.290 nan 0.000 0.405 427 T N -1.438 113.560 114.554 0.739 0.000 2.708 427 T HA -0.211 4.138 4.350 -0.001 0.000 0.266 427 T C 1.636 176.626 174.700 0.483 0.000 1.037 427 T CA 1.812 64.324 62.100 0.686 0.000 1.146 427 T CB -0.511 68.807 68.868 0.750 0.000 0.865 427 T HN 0.440 nan 8.240 nan 0.000 0.435 428 H N 0.460 119.686 119.070 0.260 0.000 2.270 428 H HA -0.018 4.537 4.556 -0.001 0.000 0.299 428 H C 1.791 176.988 175.328 -0.219 0.000 1.077 428 H CA 1.648 57.705 56.048 0.016 0.000 1.294 428 H CB -0.549 29.051 29.762 -0.270 0.000 1.371 428 H HN 0.349 nan 8.280 nan 0.000 0.491 429 F N -1.048 118.852 119.950 -0.085 0.000 2.206 429 F HA -0.024 4.502 4.527 -0.002 0.000 0.298 429 F C 2.105 177.726 175.800 -0.298 0.000 1.090 429 F CA 0.572 58.275 58.000 -0.495 0.000 1.323 429 F CB -0.621 37.657 39.000 -1.202 0.000 1.028 429 F HN 0.130 nan 8.300 nan 0.000 0.492 430 F N -0.286 119.753 119.950 0.148 0.000 2.171 430 F HA -0.233 4.293 4.527 -0.002 0.000 0.300 430 F C 2.778 178.595 175.800 0.029 0.000 1.090 430 F CA 1.623 59.722 58.000 0.164 0.000 1.293 430 F CB -1.092 38.112 39.000 0.340 0.000 1.013 430 F HN -0.069 nan 8.300 nan 0.000 0.486 431 S N 0.480 116.247 115.700 0.113 0.000 2.353 431 S HA -0.204 4.265 4.470 -0.001 0.000 0.222 431 S C 2.149 176.701 174.600 -0.080 0.000 1.035 431 S CA 1.647 59.843 58.200 -0.008 0.000 1.025 431 S CB -0.528 62.654 63.200 -0.030 0.000 0.902 431 S HN 0.326 nan 8.310 nan 0.000 0.440 432 I N 1.250 121.704 120.570 -0.193 0.000 2.179 432 I HA -0.198 3.971 4.170 -0.001 0.000 0.242 432 I C 2.291 178.356 176.117 -0.087 0.000 1.088 432 I CA 1.222 62.407 61.300 -0.192 0.000 1.357 432 I CB -0.401 37.405 38.000 -0.324 0.000 1.051 432 I HN 0.320 nan 8.210 nan 0.000 0.409 433 L N 0.040 121.215 121.223 -0.080 0.000 2.046 433 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 433 L C 2.562 179.434 176.870 0.004 0.000 1.077 433 L CA 1.319 56.138 54.840 -0.036 0.000 0.747 433 L CB -0.604 41.391 42.059 -0.106 0.000 0.896 433 L HN 0.259 nan 8.230 nan 0.000 0.432 434 L N -0.186 121.051 121.223 0.024 0.000 2.012 434 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 434 L C 2.892 179.769 176.870 0.013 0.000 1.073 434 L CA 1.397 56.260 54.840 0.038 0.000 0.748 434 L CB -0.716 41.371 42.059 0.047 0.000 0.891 434 L HN 0.269 nan 8.230 nan 0.000 0.431 435 A N -1.086 121.729 122.820 -0.007 0.000 1.978 435 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 435 A C 2.082 179.666 177.584 -0.001 0.000 1.170 435 A CA 1.434 53.464 52.037 -0.013 0.000 0.636 435 A CB -0.246 18.735 19.000 -0.031 0.000 0.810 435 A HN 0.454 nan 8.150 nan 0.000 0.448 436 Q N -1.002 118.802 119.800 0.006 0.000 2.319 436 Q HA 0.102 4.441 4.340 -0.001 0.000 0.202 436 Q C -0.442 175.574 176.000 0.027 0.000 0.896 436 Q CA 0.299 56.115 55.803 0.020 0.000 0.942 436 Q CB 0.143 28.902 28.738 0.034 0.000 1.083 436 Q HN 0.778 nan 8.270 nan 0.000 0.510 437 E N 0.769 120.985 120.200 0.026 0.000 2.269 437 E HA -0.250 4.099 4.350 -0.001 0.000 0.223 437 E C -0.330 176.294 176.600 0.039 0.000 1.244 437 E CA 0.298 56.719 56.400 0.034 0.000 0.713 437 E CB -0.978 28.739 29.700 0.029 0.000 1.178 437 E HN 0.400 nan 8.360 nan 0.000 0.370 438 Q N -0.413 119.413 119.800 0.042 0.000 2.141 438 Q HA 0.232 4.571 4.340 -0.001 0.000 0.248 438 Q C 1.495 177.526 176.000 0.052 0.000 0.834 438 Q CA -0.280 55.553 55.803 0.050 0.000 1.096 438 Q CB 0.521 29.295 28.738 0.061 0.000 1.189 438 Q HN 0.377 nan 8.270 nan 0.000 0.471 439 L N 1.271 122.525 121.223 0.052 0.000 2.127 439 L HA -0.208 4.131 4.340 -0.001 0.000 0.211 439 L C 2.312 179.228 176.870 0.078 0.000 1.089 439 L CA 1.278 56.154 54.840 0.060 0.000 0.757 439 L CB -0.147 41.980 42.059 0.114 0.000 0.899 439 L HN 0.422 nan 8.230 nan 0.000 0.434 440 E N 0.680 120.924 120.200 0.073 0.000 2.474 440 E HA -0.100 4.249 4.350 -0.001 0.000 0.194 440 E C 0.667 177.304 176.600 0.063 0.000 1.041 440 E CA -0.010 56.432 56.400 0.071 0.000 0.874 440 E CB -0.039 29.699 29.700 0.063 0.000 0.914 440 E HN 0.283 nan 8.360 nan 0.000 0.498 441 K N 1.797 122.233 120.400 0.061 0.000 2.378 441 K HA 0.295 4.614 4.320 -0.001 0.000 0.288 441 K C -0.379 176.257 176.600 0.060 0.000 1.057 441 K CA -0.039 56.283 56.287 0.057 0.000 0.971 441 K CB 0.631 33.165 32.500 0.058 0.000 0.975 441 K HN 0.091 nan 8.250 nan 0.000 0.475 442 A N 5.318 128.171 122.820 0.054 0.000 2.477 442 A HA 0.289 4.608 4.320 -0.001 0.000 0.246 442 A C -0.494 177.115 177.584 0.041 0.000 1.078 442 A CA -0.134 51.933 52.037 0.051 0.000 0.770 442 A CB 0.090 19.125 19.000 0.059 0.000 1.011 442 A HN 0.770 nan 8.150 nan 0.000 0.494 443 L N 1.950 123.181 121.223 0.013 0.000 2.381 443 L HA 0.371 4.710 4.340 -0.001 0.000 0.268 443 L C -0.900 175.945 176.870 -0.043 0.000 0.997 443 L CA -1.066 53.764 54.840 -0.017 0.000 0.818 443 L CB 2.102 44.124 42.059 -0.061 0.000 1.310 443 L HN 0.573 nan 8.230 nan 0.000 0.416 444 D N 1.543 121.926 120.400 -0.029 0.000 2.308 444 D HA 0.410 5.049 4.640 -0.001 0.000 0.251 444 D C -0.398 175.845 176.300 -0.094 0.000 1.127 444 D CA 0.060 54.051 54.000 -0.014 0.000 0.876 444 D CB 1.247 42.064 40.800 0.029 0.000 1.176 444 D HN 0.586 nan 8.370 nan 0.000 0.446 445 C N 0.858 120.105 119.300 -0.089 0.000 3.236 445 C HA 0.686 5.145 4.460 -0.001 0.000 0.312 445 C C -0.909 174.043 174.990 -0.063 0.000 1.374 445 C CA -0.867 58.068 59.018 -0.138 0.000 1.455 445 C CB 1.355 28.945 27.740 -0.250 0.000 1.834 445 C HN 0.502 nan 8.230 nan 0.000 0.460 446 Q N 0.599 120.355 119.800 -0.073 0.000 2.337 446 Q HA 0.760 5.099 4.340 -0.001 0.000 0.266 446 Q C -1.293 174.659 176.000 -0.081 0.000 1.023 446 Q CA -0.368 55.427 55.803 -0.014 0.000 0.829 446 Q CB 2.325 31.071 28.738 0.013 0.000 1.306 446 Q HN 0.730 nan 8.270 nan 0.000 0.449 447 I N 2.555 123.076 120.570 -0.081 0.000 2.478 447 I HA 0.181 4.350 4.170 -0.001 0.000 0.287 447 I C -1.078 175.056 176.117 0.028 0.000 1.042 447 I CA -0.805 60.367 61.300 -0.212 0.000 1.067 447 I CB 1.211 38.826 38.000 -0.642 0.000 1.233 447 I HN 0.657 nan 8.210 nan 0.000 0.431 448 Y N 5.059 125.437 120.300 0.131 0.000 3.305 448 Y HA -0.257 4.292 4.550 -0.002 0.000 0.212 448 Y C 1.535 177.478 175.900 0.071 0.000 1.248 448 Y CA 1.116 59.315 58.100 0.166 0.000 1.359 448 Y CB -2.015 36.568 38.460 0.205 0.000 1.407 448 Y HN 0.988 nan 8.280 nan 0.000 0.572 449 G N -2.020 106.906 108.800 0.209 0.000 2.245 449 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.264 449 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.264 449 G C 0.527 175.510 174.900 0.138 0.000 0.985 449 G CA 0.298 45.483 45.100 0.142 0.000 0.625 449 G HN 1.592 nan 8.290 nan 0.000 0.536 450 A N -0.600 122.333 122.820 0.188 0.000 2.327 450 A HA 0.608 4.927 4.320 -0.001 0.000 0.283 450 A C 0.746 178.369 177.584 0.067 0.000 1.127 450 A CA 0.447 52.548 52.037 0.106 0.000 0.810 450 A CB 0.846 19.911 19.000 0.108 0.000 1.066 450 A HN 1.504 nan 8.150 nan 0.000 0.492 451 C N 2.839 122.092 119.300 -0.077 0.000 2.347 451 C HA 0.727 5.186 4.460 -0.001 0.000 0.353 451 C C -1.095 173.701 174.990 -0.324 0.000 1.273 451 C CA -0.393 58.602 59.018 -0.039 0.000 1.861 451 C CB -1.477 26.316 27.740 0.088 0.000 2.420 451 C HN 0.629 nan 8.230 nan 0.000 0.542 452 Y N 3.004 123.122 120.300 -0.303 0.000 2.425 452 Y HA 0.449 4.998 4.550 -0.001 0.000 0.344 452 Y C 0.360 176.115 175.900 -0.241 0.000 0.969 452 Y CA -0.435 57.406 58.100 -0.432 0.000 1.052 452 Y CB 1.861 39.961 38.460 -0.600 0.000 1.215 452 Y HN 0.584 nan 8.280 nan 0.000 0.451 453 S N 4.301 119.968 115.700 -0.055 0.000 2.420 453 S HA 0.713 5.182 4.470 -0.001 0.000 0.313 453 S C -0.945 173.672 174.600 0.028 0.000 1.079 453 S CA -0.313 57.912 58.200 0.041 0.000 1.104 453 S CB -0.507 62.778 63.200 0.141 0.000 0.969 453 S HN 0.548 nan 8.310 nan 0.000 0.471 454 I N 4.015 124.593 120.570 0.013 0.000 2.533 454 I HA 0.338 4.508 4.170 -0.001 0.000 0.290 454 I C -0.269 175.867 176.117 0.033 0.000 1.056 454 I CA -0.671 60.649 61.300 0.033 0.000 1.057 454 I CB 2.234 40.244 38.000 0.016 0.000 1.240 454 I HN 0.547 nan 8.210 nan 0.000 0.423 455 E N 7.078 127.318 120.200 0.067 0.000 2.289 455 E HA 0.144 4.494 4.350 -0.001 0.000 0.278 455 E C -1.770 174.890 176.600 0.100 0.000 1.032 455 E CA -1.527 54.919 56.400 0.076 0.000 0.854 455 E CB 0.846 30.596 29.700 0.085 0.000 1.046 455 E HN 0.319 nan 8.360 nan 0.000 0.409 456 P HA -0.218 nan 4.420 nan 0.000 0.217 456 P C 0.984 178.449 177.300 0.275 0.000 1.151 456 P CA 1.228 64.415 63.100 0.146 0.000 0.849 456 P CB 0.183 31.870 31.700 -0.020 0.000 0.787 457 L N -0.915 120.440 121.223 0.219 0.000 2.353 457 L HA -0.146 4.193 4.340 -0.001 0.000 0.220 457 L C 1.424 178.406 176.870 0.187 0.000 1.133 457 L CA 1.210 56.191 54.840 0.236 0.000 0.798 457 L CB -0.690 41.469 42.059 0.167 0.000 0.922 457 L HN 0.004 nan 8.230 nan 0.000 0.445 458 D N -0.347 120.150 120.400 0.162 0.000 2.340 458 D HA 0.013 4.653 4.640 -0.001 0.000 0.220 458 D C 2.234 178.614 176.300 0.133 0.000 1.039 458 D CA 0.290 54.366 54.000 0.126 0.000 0.866 458 D CB 0.373 41.243 40.800 0.118 0.000 0.913 458 D HN 0.317 nan 8.370 nan 0.000 0.523 459 L N 0.994 122.332 121.223 0.192 0.000 2.042 459 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 459 L C -0.467 176.507 176.870 0.173 0.000 1.076 459 L CA 1.460 56.422 54.840 0.203 0.000 0.749 459 L CB -1.455 40.791 42.059 0.311 0.000 0.893 459 L HN 0.038 nan 8.230 nan 0.000 0.432 460 P HA -0.201 nan 4.420 nan 0.000 0.214 460 P C 1.381 178.758 177.300 0.128 0.000 1.163 460 P CA 1.289 64.448 63.100 0.099 0.000 0.889 460 P CB 0.040 31.628 31.700 -0.187 0.000 0.790 461 Q N -0.885 118.914 119.800 -0.001 0.000 2.124 461 Q HA -0.103 4.236 4.340 -0.001 0.000 0.202 461 Q C 2.164 178.135 176.000 -0.047 0.000 0.977 461 Q CA 1.228 57.013 55.803 -0.031 0.000 0.850 461 Q CB -0.967 27.741 28.738 -0.050 0.000 0.901 461 Q HN 0.270 nan 8.270 nan 0.000 0.429 462 I N -0.189 120.357 120.570 -0.040 0.000 2.179 462 I HA -0.278 3.891 4.170 -0.001 0.000 0.242 462 I C 1.941 177.989 176.117 -0.114 0.000 1.088 462 I CA 1.163 62.370 61.300 -0.155 0.000 1.357 462 I CB -0.238 37.725 38.000 -0.062 0.000 1.051 462 I HN 0.203 nan 8.210 nan 0.000 0.409 463 I N 0.314 120.904 120.570 0.033 0.000 2.202 463 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 463 I C 2.615 178.700 176.117 -0.053 0.000 1.091 463 I CA 1.374 62.701 61.300 0.045 0.000 1.368 463 I CB -0.439 37.585 38.000 0.040 0.000 1.058 463 I HN 0.295 nan 8.210 nan 0.000 0.410 464 E N 1.130 121.338 120.200 0.013 0.000 2.049 464 E HA -0.272 4.077 4.350 -0.001 0.000 0.198 464 E C 2.420 178.982 176.600 -0.063 0.000 1.007 464 E CA 1.362 57.767 56.400 0.008 0.000 0.809 464 E CB 0.093 29.859 29.700 0.111 0.000 0.749 464 E HN 0.259 nan 8.360 nan 0.000 0.450 465 R N 0.101 120.538 120.500 -0.104 0.000 2.083 465 R HA -0.118 4.222 4.340 -0.001 0.000 0.237 465 R C 2.443 178.629 176.300 -0.191 0.000 1.137 465 R CA 1.108 57.113 56.100 -0.157 0.000 0.951 465 R CB -0.641 29.517 30.300 -0.238 0.000 0.851 465 R HN 0.377 nan 8.270 nan 0.000 0.434 466 L N -0.755 120.315 121.223 -0.255 0.000 2.446 466 L HA 0.025 4.364 4.340 -0.001 0.000 0.219 466 L C 1.431 177.951 176.870 -0.583 0.000 1.116 466 L CA 0.775 55.367 54.840 -0.414 0.000 0.844 466 L CB -0.234 41.507 42.059 -0.529 0.000 0.970 466 L HN 0.249 nan 8.230 nan 0.000 0.457 467 H N -0.720 118.250 119.070 -0.167 0.000 3.643 467 H HA 0.305 4.860 4.556 -0.002 0.000 0.256 467 H C 0.897 176.128 175.328 -0.162 0.000 1.107 467 H CA 0.710 56.654 56.048 -0.173 0.000 1.175 467 H CB 1.375 31.002 29.762 -0.225 0.000 1.519 467 H HN 0.233 nan 8.280 nan 0.000 0.565 468 G N 1.330 110.097 108.800 -0.055 0.000 2.730 468 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.686 468 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.686 468 G C 0.558 175.400 174.900 -0.096 0.000 1.343 468 G CA -0.092 44.975 45.100 -0.055 0.000 0.826 468 G HN 0.236 nan 8.290 nan 0.000 0.582 469 L N 0.995 122.218 121.223 -0.001 0.000 2.187 469 L HA -0.119 4.220 4.340 -0.001 0.000 0.213 469 L C 3.125 180.033 176.870 0.063 0.000 1.100 469 L CA 2.749 57.659 54.840 0.117 0.000 0.765 469 L CB -0.459 41.703 42.059 0.171 0.000 0.904 469 L HN 1.047 nan 8.230 nan 0.000 0.437 470 S N -0.616 115.072 115.700 -0.020 0.000 2.447 470 S HA -0.114 4.355 4.470 -0.001 0.000 0.233 470 S C 2.087 176.612 174.600 -0.125 0.000 1.006 470 S CA 0.706 58.887 58.200 -0.032 0.000 0.957 470 S CB -0.293 62.880 63.200 -0.045 0.000 0.773 470 S HN 0.419 nan 8.310 nan 0.000 0.507 471 A N 1.163 123.809 122.820 -0.291 0.000 1.986 471 A HA 0.017 4.336 4.320 -0.001 0.000 0.220 471 A C 1.641 179.011 177.584 -0.356 0.000 1.171 471 A CA 1.447 53.221 52.037 -0.439 0.000 0.640 471 A CB -1.026 17.589 19.000 -0.642 0.000 0.811 471 A HN 0.620 nan 8.150 nan 0.000 0.451 472 F N -0.299 119.662 119.950 0.019 0.000 2.780 472 F HA 0.114 4.640 4.527 -0.001 0.000 0.299 472 F C 1.890 177.734 175.800 0.072 0.000 1.146 472 F CA 0.877 58.915 58.000 0.064 0.000 1.428 472 F CB -0.004 39.075 39.000 0.130 0.000 1.115 472 F HN 0.097 nan 8.300 nan 0.000 0.583 473 S N -0.676 115.126 115.700 0.171 0.000 2.666 473 S HA 0.295 4.764 4.470 -0.001 0.000 0.239 473 S C 0.533 175.212 174.600 0.131 0.000 1.031 473 S CA -0.325 57.963 58.200 0.146 0.000 1.015 473 S CB 0.216 63.491 63.200 0.124 0.000 0.981 473 S HN 0.016 nan 8.310 nan 0.000 0.547 474 L N 3.422 124.646 121.223 0.001 0.000 2.485 474 L HA 0.267 4.606 4.340 -0.001 0.000 0.275 474 L C 0.513 177.318 176.870 -0.110 0.000 1.207 474 L CA 0.365 55.097 54.840 -0.180 0.000 0.855 474 L CB -0.011 41.773 42.059 -0.459 0.000 1.114 474 L HN 0.537 nan 8.230 nan 0.000 0.485 475 H N -1.640 117.216 119.070 -0.356 0.000 2.905 475 H HA 0.371 4.926 4.556 -0.001 0.000 0.280 475 H C -0.326 174.865 175.328 -0.228 0.000 1.445 475 H CA -0.786 55.136 56.048 -0.210 0.000 1.165 475 H CB 0.948 30.704 29.762 -0.009 0.000 1.857 475 H HN 0.376 nan 8.280 nan 0.000 0.567 476 S N -0.616 115.043 115.700 -0.068 0.000 3.572 476 S HA -0.241 4.229 4.470 -0.001 0.000 0.394 476 S C -0.613 173.972 174.600 -0.024 0.000 0.923 476 S CA 0.521 58.695 58.200 -0.044 0.000 1.291 476 S CB -2.469 60.606 63.200 -0.209 0.000 0.914 476 S HN 0.507 nan 8.310 nan 0.000 0.545 477 Y N 1.760 122.088 120.300 0.047 0.000 2.330 477 Y HA 0.336 4.885 4.550 -0.002 0.000 0.341 477 Y C 1.416 177.365 175.900 0.081 0.000 1.278 477 Y CA 0.327 58.467 58.100 0.067 0.000 1.453 477 Y CB 0.431 38.923 38.460 0.054 0.000 1.342 477 Y HN 0.531 nan 8.280 nan 0.000 0.590 478 S N 1.075 116.931 115.700 0.261 0.000 2.580 478 S HA 0.180 4.649 4.470 -0.001 0.000 0.274 478 S C -2.082 172.597 174.600 0.130 0.000 1.329 478 S CA -1.158 57.133 58.200 0.153 0.000 1.036 478 S CB 1.339 64.605 63.200 0.110 0.000 0.919 478 S HN 0.414 nan 8.310 nan 0.000 0.515 479 P HA -0.024 nan 4.420 nan 0.000 0.216 479 P C 1.734 179.070 177.300 0.059 0.000 1.150 479 P CA 1.684 64.826 63.100 0.070 0.000 0.843 479 P CB -0.433 31.298 31.700 0.053 0.000 0.787 480 G N -0.096 108.736 108.800 0.054 0.000 2.446 480 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.217 480 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.217 480 G C 1.673 176.600 174.900 0.045 0.000 1.168 480 G CA 1.021 46.145 45.100 0.039 0.000 0.771 480 G HN 0.275 nan 8.290 nan 0.000 0.551 481 E N 0.601 120.846 120.200 0.075 0.000 2.072 481 E HA -0.020 4.329 4.350 -0.001 0.000 0.190 481 E C 2.453 179.092 176.600 0.066 0.000 0.982 481 E CA 0.666 57.121 56.400 0.092 0.000 0.803 481 E CB -0.380 29.428 29.700 0.180 0.000 0.755 481 E HN 0.498 nan 8.360 nan 0.000 0.453 482 I N 0.961 121.574 120.570 0.072 0.000 2.163 482 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 482 I C 1.809 177.943 176.117 0.028 0.000 1.085 482 I CA 1.290 62.616 61.300 0.043 0.000 1.347 482 I CB -0.486 37.554 38.000 0.067 0.000 1.044 482 I HN 0.148 nan 8.210 nan 0.000 0.408 483 N N 0.666 119.385 118.700 0.031 0.000 2.166 483 N HA -0.194 4.545 4.740 -0.001 0.000 0.186 483 N C 1.851 177.364 175.510 0.004 0.000 1.019 483 N CA 1.086 54.148 53.050 0.019 0.000 0.856 483 N CB -0.473 38.026 38.487 0.021 0.000 0.993 483 N HN 0.335 nan 8.380 nan 0.000 0.426 484 R N 0.751 121.250 120.500 -0.002 0.000 2.081 484 R HA -0.034 4.305 4.340 -0.001 0.000 0.235 484 R C 1.766 178.036 176.300 -0.051 0.000 1.131 484 R CA 1.001 57.084 56.100 -0.028 0.000 0.960 484 R CB -0.182 30.096 30.300 -0.037 0.000 0.856 484 R HN -0.018 nan 8.270 nan 0.000 0.436 485 V N 0.955 120.844 119.914 -0.041 0.000 2.270 485 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 485 V C 2.473 178.547 176.094 -0.033 0.000 1.043 485 V CA 1.940 64.206 62.300 -0.057 0.000 1.014 485 V CB -0.765 31.047 31.823 -0.018 0.000 0.645 485 V HN 0.566 nan 8.190 nan 0.000 0.447 486 A N -0.150 122.666 122.820 -0.007 0.000 1.940 486 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 486 A C 2.463 180.052 177.584 0.007 0.000 1.176 486 A CA 2.392 54.435 52.037 0.011 0.000 0.631 486 A CB -0.680 18.333 19.000 0.022 0.000 0.814 486 A HN 0.544 nan 8.150 nan 0.000 0.446 487 S N -1.108 114.591 115.700 -0.003 0.000 2.355 487 S HA -0.204 4.265 4.470 -0.001 0.000 0.222 487 S C 2.052 176.647 174.600 -0.007 0.000 1.031 487 S CA 1.097 59.296 58.200 -0.001 0.000 0.993 487 S CB -1.059 62.137 63.200 -0.006 0.000 0.859 487 S HN 0.798 nan 8.310 nan 0.000 0.453 488 C N 2.517 121.797 119.300 -0.034 0.000 2.398 488 C HA -0.083 4.376 4.460 -0.001 0.000 0.276 488 C C 2.478 177.451 174.990 -0.027 0.000 1.222 488 C CA 0.818 59.807 59.018 -0.050 0.000 1.746 488 C CB -1.679 25.992 27.740 -0.115 0.000 2.039 488 C HN 0.577 nan 8.230 nan 0.000 0.470 489 L N 0.221 121.433 121.223 -0.018 0.000 2.012 489 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 489 L C 3.028 179.900 176.870 0.003 0.000 1.073 489 L CA 1.959 56.802 54.840 0.005 0.000 0.748 489 L CB -0.902 41.183 42.059 0.044 0.000 0.891 489 L HN 0.368 nan 8.230 nan 0.000 0.431 490 R N 0.287 120.799 120.500 0.020 0.000 2.096 490 R HA -0.190 4.149 4.340 -0.001 0.000 0.235 490 R C 2.373 178.725 176.300 0.086 0.000 1.127 490 R CA 1.420 57.544 56.100 0.040 0.000 0.968 490 R CB -0.262 30.065 30.300 0.044 0.000 0.861 490 R HN 0.311 nan 8.270 nan 0.000 0.440 491 K N 0.496 120.942 120.400 0.076 0.000 2.097 491 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 491 K C 1.470 178.198 176.600 0.214 0.000 1.050 491 K CA 1.125 57.487 56.287 0.125 0.000 0.938 491 K CB 0.129 32.668 32.500 0.064 0.000 0.718 491 K HN 0.030 nan 8.250 nan 0.000 0.442 492 L N 0.192 121.458 121.223 0.072 0.000 2.529 492 L HA 0.221 4.560 4.340 -0.001 0.000 0.223 492 L C 0.891 177.584 176.870 -0.296 0.000 1.113 492 L CA 1.389 56.239 54.840 0.018 0.000 0.861 492 L CB 0.091 42.149 42.059 -0.001 0.000 1.012 492 L HN 0.506 nan 8.230 nan 0.000 0.461 493 G N 0.135 108.609 108.800 -0.544 0.000 2.256 493 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.272 493 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.272 493 G C 0.071 174.798 174.900 -0.288 0.000 1.076 493 G CA 0.253 44.883 45.100 -0.783 0.000 0.882 493 G HN 0.107 nan 8.290 nan 0.000 0.497 494 V N 0.845 120.694 119.914 -0.109 0.000 2.509 494 V HA 0.416 4.535 4.120 -0.001 0.000 0.284 494 V C -1.189 174.968 176.094 0.105 0.000 1.047 494 V CA -1.579 60.753 62.300 0.053 0.000 0.952 494 V CB 1.540 33.426 31.823 0.104 0.000 0.988 494 V HN 0.193 nan 8.190 nan 0.000 0.469 495 P HA 0.078 nan 4.420 nan 0.000 0.266 495 P C -2.483 174.923 177.300 0.176 0.000 1.193 495 P CA -0.599 62.514 63.100 0.022 0.000 0.770 495 P CB -0.208 31.318 31.700 -0.290 0.000 0.836 496 P HA 0.051 nan 4.420 nan 0.000 0.272 496 P C 1.034 178.480 177.300 0.244 0.000 1.223 496 P CA 0.017 63.201 63.100 0.140 0.000 0.784 496 P CB 0.689 32.428 31.700 0.064 0.000 0.923 497 L N 1.492 122.879 121.223 0.273 0.000 2.151 497 L HA -0.267 4.073 4.340 -0.001 0.000 0.215 497 L C 2.809 179.854 176.870 0.292 0.000 1.084 497 L CA 2.016 57.050 54.840 0.323 0.000 0.764 497 L CB -0.813 41.343 42.059 0.162 0.000 0.891 497 L HN 0.511 nan 8.230 nan 0.000 0.435 498 R N -0.416 120.192 120.500 0.180 0.000 2.120 498 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 498 R C 1.964 178.335 176.300 0.119 0.000 1.123 498 R CA 1.460 57.648 56.100 0.147 0.000 0.975 498 R CB -0.998 29.351 30.300 0.082 0.000 0.866 498 R HN 0.159 nan 8.270 nan 0.000 0.446 499 V N 0.504 120.430 119.914 0.019 0.000 2.427 499 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 499 V C 1.935 177.972 176.094 -0.094 0.000 1.051 499 V CA 1.778 63.999 62.300 -0.130 0.000 1.048 499 V CB -0.694 30.926 31.823 -0.339 0.000 0.666 499 V HN 0.383 nan 8.190 nan 0.000 0.456 500 W N 0.204 121.608 121.300 0.173 0.000 2.381 500 W HA -0.104 4.555 4.660 -0.002 0.000 0.301 500 W C 2.747 179.485 176.519 0.365 0.000 1.205 500 W CA 1.449 58.941 57.345 0.244 0.000 1.285 500 W CB -0.323 29.266 29.460 0.215 0.000 1.133 500 W HN 0.048 nan 8.180 nan 0.000 0.521 501 R N -0.173 120.675 120.500 0.581 0.000 2.091 501 R HA -0.256 4.083 4.340 -0.001 0.000 0.238 501 R C 2.096 178.539 176.300 0.238 0.000 1.136 501 R CA 2.240 58.647 56.100 0.513 0.000 0.959 501 R CB -0.756 29.807 30.300 0.439 0.000 0.856 501 R HN 0.263 nan 8.270 nan 0.000 0.437 502 H N 0.096 119.230 119.070 0.107 0.000 2.321 502 H HA -0.036 4.519 4.556 -0.001 0.000 0.300 502 H C 2.056 177.376 175.328 -0.013 0.000 1.087 502 H CA 2.212 58.268 56.048 0.014 0.000 1.319 502 H CB 0.119 29.870 29.762 -0.019 0.000 1.379 502 H HN 0.158 nan 8.280 nan 0.000 0.501 503 R N -0.301 120.238 120.500 0.065 0.000 2.096 503 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 503 R C 2.486 178.755 176.300 -0.051 0.000 1.127 503 R CA 1.009 57.107 56.100 -0.003 0.000 0.968 503 R CB -0.211 30.119 30.300 0.051 0.000 0.861 503 R HN 0.395 nan 8.270 nan 0.000 0.440 504 A N 1.066 123.891 122.820 0.009 0.000 1.968 504 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 504 A C 1.969 179.314 177.584 -0.399 0.000 1.169 504 A CA 0.758 52.676 52.037 -0.198 0.000 0.638 504 A CB -0.228 18.720 19.000 -0.087 0.000 0.812 504 A HN 0.178 nan 8.150 nan 0.000 0.446 505 R N -0.352 119.964 120.500 -0.307 0.000 2.083 505 R HA -0.143 4.196 4.340 -0.001 0.000 0.237 505 R C 2.625 178.758 176.300 -0.279 0.000 1.137 505 R CA 1.634 57.558 56.100 -0.294 0.000 0.951 505 R CB -0.624 29.526 30.300 -0.250 0.000 0.851 505 R HN 0.582 nan 8.270 nan 0.000 0.434 506 S N 0.493 116.030 115.700 -0.271 0.000 2.359 506 S HA -0.126 4.343 4.470 -0.001 0.000 0.224 506 S C 2.130 176.594 174.600 -0.227 0.000 1.035 506 S CA 1.561 59.629 58.200 -0.221 0.000 1.018 506 S CB -0.227 62.858 63.200 -0.191 0.000 0.876 506 S HN 0.130 nan 8.310 nan 0.000 0.448 507 V N 2.440 122.176 119.914 -0.296 0.000 2.287 507 V HA -0.167 3.952 4.120 -0.001 0.000 0.248 507 V C 2.770 178.606 176.094 -0.429 0.000 1.053 507 V CA 2.335 64.415 62.300 -0.367 0.000 1.027 507 V CB -0.879 30.634 31.823 -0.517 0.000 0.646 507 V HN 0.521 nan 8.190 nan 0.000 0.447 508 R N 0.121 120.295 120.500 -0.544 0.000 2.080 508 R HA -0.218 4.121 4.340 -0.001 0.000 0.236 508 R C 2.332 178.515 176.300 -0.194 0.000 1.137 508 R CA 1.927 57.816 56.100 -0.350 0.000 0.943 508 R CB -0.542 29.578 30.300 -0.300 0.000 0.846 508 R HN 0.488 nan 8.270 nan 0.000 0.431 509 A N 1.112 123.821 122.820 -0.184 0.000 1.883 509 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 509 A C 2.215 179.743 177.584 -0.092 0.000 1.186 509 A CA 1.777 53.739 52.037 -0.125 0.000 0.624 509 A CB -0.539 18.387 19.000 -0.123 0.000 0.822 509 A HN 0.411 nan 8.150 nan 0.000 0.444 510 R N -0.565 119.877 120.500 -0.097 0.000 2.091 510 R HA -0.101 4.238 4.340 -0.001 0.000 0.238 510 R C 2.085 178.370 176.300 -0.025 0.000 1.136 510 R CA 1.651 57.717 56.100 -0.056 0.000 0.959 510 R CB -0.592 29.675 30.300 -0.054 0.000 0.856 510 R HN 0.531 nan 8.270 nan 0.000 0.437 511 L N 0.411 121.618 121.223 -0.027 0.000 2.056 511 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 511 L C 2.339 179.218 176.870 0.015 0.000 1.078 511 L CA 1.134 55.989 54.840 0.025 0.000 0.749 511 L CB -0.443 41.647 42.059 0.051 0.000 0.901 511 L HN 0.184 nan 8.230 nan 0.000 0.433 512 L N -0.955 120.258 121.223 -0.017 0.000 2.127 512 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 512 L C 2.591 179.455 176.870 -0.010 0.000 1.089 512 L CA 1.023 55.852 54.840 -0.018 0.000 0.757 512 L CB -0.453 41.580 42.059 -0.043 0.000 0.899 512 L HN 0.208 nan 8.230 nan 0.000 0.434 513 S N -0.935 114.757 115.700 -0.013 0.000 2.453 513 S HA -0.129 4.340 4.470 -0.001 0.000 0.231 513 S C 1.783 176.386 174.600 0.004 0.000 1.005 513 S CA 0.782 58.977 58.200 -0.009 0.000 0.949 513 S CB -0.039 63.151 63.200 -0.016 0.000 0.774 513 S HN 0.486 nan 8.310 nan 0.000 0.510 514 Q N 0.514 120.323 119.800 0.015 0.000 2.432 514 Q HA 0.247 4.586 4.340 -0.001 0.000 0.205 514 Q C 1.212 177.229 176.000 0.029 0.000 0.945 514 Q CA 0.294 56.113 55.803 0.026 0.000 0.924 514 Q CB 0.004 28.767 28.738 0.041 0.000 1.016 514 Q HN 0.525 nan 8.270 nan 0.000 0.503 515 G N 0.001 108.816 108.800 0.026 0.000 2.741 515 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.222 515 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.222 515 G C 0.444 175.367 174.900 0.038 0.000 1.364 515 G CA -0.423 44.693 45.100 0.026 0.000 0.866 515 G HN 0.630 nan 8.290 nan 0.000 0.555 516 G N -0.551 108.270 108.800 0.035 0.000 2.632 516 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.322 516 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.322 516 G C 1.353 176.286 174.900 0.054 0.000 1.326 516 G CA 1.769 46.894 45.100 0.041 0.000 0.986 516 G HN 1.462 nan 8.290 nan 0.000 0.541 517 R N 0.275 120.812 120.500 0.062 0.000 2.105 517 R HA -0.011 4.328 4.340 -0.001 0.000 0.239 517 R C 3.200 179.563 176.300 0.105 0.000 1.135 517 R CA 1.863 58.010 56.100 0.077 0.000 0.967 517 R CB -0.624 29.726 30.300 0.084 0.000 0.861 517 R HN 0.619 nan 8.270 nan 0.000 0.442 518 A N 1.289 124.175 122.820 0.110 0.000 1.877 518 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 518 A C 2.392 180.039 177.584 0.106 0.000 1.186 518 A CA 1.698 53.817 52.037 0.138 0.000 0.620 518 A CB -0.603 18.469 19.000 0.121 0.000 0.822 518 A HN 0.393 nan 8.150 nan 0.000 0.443 519 A N -0.932 121.930 122.820 0.071 0.000 1.902 519 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 519 A C 2.285 179.903 177.584 0.057 0.000 1.181 519 A CA 2.293 54.358 52.037 0.046 0.000 0.623 519 A CB -1.339 17.678 19.000 0.028 0.000 0.818 519 A HN 0.443 nan 8.150 nan 0.000 0.443 520 T N -0.586 114.017 114.554 0.082 0.000 2.720 520 T HA -0.227 4.122 4.350 -0.001 0.000 0.268 520 T C 1.896 176.671 174.700 0.124 0.000 1.037 520 T CA 1.637 63.816 62.100 0.132 0.000 1.144 520 T CB -0.781 68.132 68.868 0.076 0.000 0.864 520 T HN 0.585 nan 8.240 nan 0.000 0.444 521 C N 1.314 120.663 119.300 0.082 0.000 2.432 521 C HA 0.025 4.484 4.460 -0.001 0.000 0.277 521 C C 3.132 178.136 174.990 0.025 0.000 1.249 521 C CA 0.508 59.541 59.018 0.025 0.000 1.725 521 C CB -1.573 26.220 27.740 0.088 0.000 2.028 521 C HN 0.742 nan 8.230 nan 0.000 0.477 522 G N 0.060 108.908 108.800 0.081 0.000 2.421 522 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.216 522 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.216 522 G C 1.631 176.541 174.900 0.016 0.000 1.171 522 G CA 1.180 46.341 45.100 0.103 0.000 0.775 522 G HN 0.637 nan 8.290 nan 0.000 0.543 523 K N -0.937 119.426 120.400 -0.062 0.000 2.026 523 K HA -0.086 4.233 4.320 -0.001 0.000 0.208 523 K C 2.187 178.538 176.600 -0.415 0.000 1.048 523 K CA 1.306 57.451 56.287 -0.236 0.000 0.929 523 K CB -0.239 32.091 32.500 -0.283 0.000 0.713 523 K HN 0.450 nan 8.250 nan 0.000 0.439 524 Y N 0.268 120.372 120.300 -0.326 0.000 2.266 524 Y HA 0.049 4.598 4.550 -0.002 0.000 0.294 524 Y C 1.996 177.606 175.900 -0.482 0.000 1.127 524 Y CA 0.580 58.284 58.100 -0.660 0.000 1.140 524 Y CB -0.027 37.718 38.460 -1.192 0.000 1.071 524 Y HN -0.092 nan 8.280 nan 0.000 0.525 525 L N -1.448 119.632 121.223 -0.239 0.000 2.131 525 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 525 L C 0.831 177.407 176.870 -0.491 0.000 1.092 525 L CA 1.475 56.121 54.840 -0.323 0.000 0.759 525 L CB -0.396 41.250 42.059 -0.689 0.000 0.903 525 L HN 0.207 nan 8.230 nan 0.000 0.435 526 F N -1.475 118.416 119.950 -0.099 0.000 2.668 526 F HA 0.166 4.692 4.527 -0.001 0.000 0.301 526 F C 1.812 177.335 175.800 -0.462 0.000 1.106 526 F CA -0.291 57.494 58.000 -0.358 0.000 1.289 526 F CB -0.696 38.079 39.000 -0.375 0.000 1.006 526 F HN 0.042 nan 8.300 nan 0.000 0.535 527 N N 1.101 119.727 118.700 -0.123 0.000 2.289 527 N HA -0.185 4.554 4.740 -0.001 0.000 0.184 527 N C 1.948 177.432 175.510 -0.042 0.000 1.016 527 N CA 1.543 54.532 53.050 -0.102 0.000 0.872 527 N CB -0.134 38.309 38.487 -0.072 0.000 0.973 527 N HN 0.595 nan 8.380 nan 0.000 0.433 528 W N 0.401 121.738 121.300 0.063 0.000 2.468 528 W HA 0.047 4.707 4.660 -0.001 0.000 0.262 528 W C 1.251 177.825 176.519 0.091 0.000 1.241 528 W CA 0.577 57.968 57.345 0.078 0.000 1.232 528 W CB -0.584 28.935 29.460 0.098 0.000 1.124 528 W HN -0.018 nan 8.180 nan 0.000 0.597 529 A N 1.455 123.887 122.820 -0.648 0.000 2.218 529 A HA 0.230 4.549 4.320 -0.001 0.000 0.209 529 A C 0.986 178.418 177.584 -0.254 0.000 1.168 529 A CA 0.790 52.431 52.037 -0.659 0.000 0.804 529 A CB -0.760 17.608 19.000 -1.053 0.000 0.834 529 A HN 0.126 nan 8.150 nan 0.000 0.482 530 V N -3.315 116.497 119.914 -0.170 0.000 2.716 530 V HA 0.402 4.521 4.120 -0.001 0.000 0.304 530 V C 0.957 177.025 176.094 -0.044 0.000 1.053 530 V CA -0.740 61.498 62.300 -0.104 0.000 0.984 530 V CB 1.397 33.154 31.823 -0.110 0.000 1.021 530 V HN 0.296 nan 8.190 nan 0.000 0.467 531 K N 1.077 121.456 120.400 -0.037 0.000 2.002 531 K HA 0.007 4.326 4.320 -0.001 0.000 0.209 531 K C 0.872 177.454 176.600 -0.030 0.000 1.048 531 K CA 1.828 58.103 56.287 -0.020 0.000 0.930 531 K CB -0.141 32.347 32.500 -0.019 0.000 0.714 531 K HN 0.907 nan 8.250 nan 0.000 0.438 537 T N -0.107 114.501 114.554 0.089 0.000 2.912 537 T HA 0.705 5.054 4.350 -0.001 0.000 0.280 537 T C -2.539 172.289 174.700 0.213 0.000 0.989 537 T CA -1.961 60.214 62.100 0.125 0.000 0.995 537 T CB 1.446 70.363 68.868 0.081 0.000 1.077 537 T HN 0.153 nan 8.240 nan 0.000 0.531 538 P HA 0.173 nan 4.420 nan 0.000 0.269 538 P C -0.149 177.191 177.300 0.065 0.000 1.205 538 P CA -0.132 63.027 63.100 0.098 0.000 0.780 538 P CB 0.250 31.982 31.700 0.054 0.000 0.858 551 F N 0.698 120.893 119.950 0.408 0.000 2.660 551 F HA 0.513 5.040 4.527 -0.001 0.000 0.352 551 F C 0.509 176.446 175.800 0.228 0.000 1.257 551 F CA -0.371 57.838 58.000 0.347 0.000 1.200 551 F CB 0.123 39.305 39.000 0.303 0.000 1.473 551 F HN -0.361 nan 8.300 nan 0.000 0.561 552 V N 0.259 120.367 119.914 0.324 0.000 2.911 552 V HA 0.608 4.727 4.120 -0.001 0.000 0.237 552 V C 0.912 177.126 176.094 0.201 0.000 1.156 552 V CA 0.755 63.188 62.300 0.221 0.000 1.180 552 V CB 0.555 32.492 31.823 0.191 0.000 0.932 552 V HN 0.503 nan 8.190 nan 0.000 0.483 553 A N -0.812 122.072 122.820 0.107 0.000 2.583 553 A HA 0.805 5.124 4.320 -0.001 0.000 0.289 553 A C -0.349 176.854 177.584 -0.634 0.000 1.151 553 A CA 0.068 52.020 52.037 -0.140 0.000 0.695 553 A CB 1.150 19.940 19.000 -0.349 0.000 1.290 553 A HN 0.394 nan 8.150 nan 0.000 0.419 554 G N -1.458 106.658 108.800 -1.140 0.000 2.388 554 G HA2 0.561 4.520 3.960 -0.001 0.000 0.330 554 G HA3 0.561 4.520 3.960 -0.001 0.000 0.330 554 G C -1.028 173.155 174.900 -1.195 0.000 1.142 554 G CA -0.143 43.975 45.100 -1.637 0.000 0.908 554 G HN 0.588 nan 8.290 nan 0.000 0.473 555 Y N 0.766 120.872 120.300 -0.324 0.000 2.768 555 Y HA 0.319 4.868 4.550 -0.001 0.000 0.249 555 Y C 1.359 177.214 175.900 -0.075 0.000 1.146 555 Y CA -0.865 57.154 58.100 -0.136 0.000 1.171 555 Y CB 0.540 38.973 38.460 -0.046 0.000 1.249 555 Y HN 0.487 nan 8.280 nan 0.000 0.567 556 S N 0.701 116.398 115.700 -0.005 0.000 2.544 556 S HA 0.332 4.801 4.470 -0.001 0.000 0.290 556 S C 1.450 176.094 174.600 0.073 0.000 1.276 556 S CA 1.440 59.674 58.200 0.056 0.000 1.075 556 S CB 0.058 63.298 63.200 0.066 0.000 0.849 556 S HN 1.024 nan 8.310 nan 0.000 0.494 557 G N 3.540 112.388 108.800 0.080 0.000 2.212 557 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.266 557 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.266 557 G C 0.826 175.780 174.900 0.091 0.000 0.978 557 G CA 0.418 45.568 45.100 0.084 0.000 0.632 557 G HN 1.312 nan 8.290 nan 0.000 0.537 558 G N -0.129 108.733 108.800 0.104 0.000 3.042 558 G HA2 0.396 4.355 3.960 -0.001 0.000 0.212 558 G HA3 0.396 4.355 3.960 -0.001 0.000 0.212 558 G C 0.457 175.410 174.900 0.089 0.000 1.166 558 G CA 1.147 46.323 45.100 0.126 0.000 0.767 558 G HN 1.339 nan 8.290 nan 0.000 0.546 559 D N -0.501 119.927 120.400 0.047 0.000 2.718 559 D HA -0.164 4.475 4.640 -0.001 0.000 0.242 559 D C -0.216 176.071 176.300 -0.021 0.000 1.123 559 D CA 0.296 54.298 54.000 0.003 0.000 0.690 559 D CB -1.245 39.556 40.800 0.002 0.000 1.059 559 D HN 0.096 nan 8.370 nan 0.000 0.429 560 I N 1.465 122.011 120.570 -0.039 0.000 2.441 560 I HA 0.340 4.510 4.170 -0.001 0.000 0.295 560 I C -0.055 175.996 176.117 -0.109 0.000 0.994 560 I CA -0.831 60.386 61.300 -0.138 0.000 1.144 560 I CB 1.223 39.025 38.000 -0.330 0.000 1.314 560 I HN 0.108 nan 8.210 nan 0.000 0.445 561 Y N 5.718 125.848 120.300 -0.284 0.000 2.352 561 Y HA 0.336 4.885 4.550 -0.001 0.000 0.339 561 Y C -0.135 175.532 175.900 -0.389 0.000 0.992 561 Y CA -0.473 57.447 58.100 -0.301 0.000 1.100 561 Y CB 0.776 39.095 38.460 -0.235 0.000 1.192 561 Y HN 0.494 nan 8.280 nan 0.000 0.458 562 H N 5.734 124.152 119.070 -1.088 0.000 2.685 562 H HA 0.290 4.845 4.556 -0.001 0.000 0.286 562 H C -0.128 174.585 175.328 -1.026 0.000 1.102 562 H CA -0.049 55.357 56.048 -1.070 0.000 1.254 562 H CB 0.800 29.550 29.762 -1.688 0.000 1.397 562 H HN 0.833 nan 8.280 nan 0.000 0.473 563 S N 0.000 115.302 115.700 -0.663 0.000 2.498 563 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 563 S CA 0.000 57.980 58.200 -0.366 0.000 1.107 563 S CB 0.000 63.095 63.200 -0.175 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517