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 3phe_1_D DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK 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 VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.584 174.600 -0.026 0.000 1.055 1 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 1 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 2 M N 2.995 122.571 119.600 -0.040 0.000 2.228 2 M HA 0.327 4.808 4.480 0.001 0.000 0.351 2 M C 1.601 177.818 176.300 -0.139 0.000 1.233 2 M CA 0.255 55.523 55.300 -0.053 0.000 1.129 2 M CB 1.051 33.628 32.600 -0.039 0.000 1.604 2 M HN 0.598 nan 8.290 nan 0.000 0.457 3 S N 3.553 119.129 115.700 -0.207 0.000 2.368 3 S HA -0.042 4.429 4.470 0.001 0.000 0.224 3 S C 0.083 174.341 174.600 -0.570 0.000 1.029 3 S CA 0.799 58.771 58.200 -0.381 0.000 0.988 3 S CB -0.227 62.669 63.200 -0.507 0.000 0.838 3 S HN 0.645 nan 8.310 nan 0.000 0.462 4 Y N 0.951 121.084 120.300 -0.279 0.000 2.553 4 Y HA 0.585 5.136 4.550 0.002 0.000 0.347 4 Y C 0.123 175.705 175.900 -0.530 0.000 1.019 4 Y CA -0.731 57.067 58.100 -0.504 0.000 1.032 4 Y CB 2.134 40.129 38.460 -0.776 0.000 1.284 4 Y HN 0.196 nan 8.280 nan 0.000 0.466 5 T N -2.375 111.898 114.554 -0.468 0.000 2.907 5 T HA 0.717 5.068 4.350 0.001 0.000 0.292 5 T C -1.342 173.044 174.700 -0.523 0.000 1.043 5 T CA -0.824 61.056 62.100 -0.368 0.000 1.003 5 T CB 1.311 70.106 68.868 -0.122 0.000 1.084 5 T HN 0.566 nan 8.240 nan 0.000 0.483 6 W N 0.415 121.768 121.300 0.087 0.000 2.864 6 W HA 0.504 5.165 4.660 0.002 0.000 0.343 6 W C 1.255 177.801 176.519 0.046 0.000 1.109 6 W CA -0.721 56.661 57.345 0.061 0.000 1.192 6 W CB 2.171 31.650 29.460 0.033 0.000 1.426 6 W HN 0.896 nan 8.180 nan 0.000 0.529 7 T N -2.609 112.126 114.554 0.302 0.000 3.037 7 T HA 0.334 4.685 4.350 0.001 0.000 0.251 7 T C 1.424 176.206 174.700 0.136 0.000 1.079 7 T CA 0.753 62.956 62.100 0.172 0.000 1.067 7 T CB 0.135 69.082 68.868 0.131 0.000 0.948 7 T HN 1.284 nan 8.240 nan 0.000 0.496 8 G N 1.437 110.325 108.800 0.146 0.000 2.234 8 G HA2 -0.044 3.917 3.960 0.001 0.000 0.235 8 G HA3 -0.044 3.917 3.960 0.001 0.000 0.235 8 G C 0.421 175.346 174.900 0.042 0.000 0.997 8 G CA -0.111 45.031 45.100 0.069 0.000 0.623 8 G HN 1.174 nan 8.290 nan 0.000 0.514 9 A N 0.493 123.351 122.820 0.064 0.000 2.483 9 A HA 0.627 4.948 4.320 0.001 0.000 0.238 9 A C 0.660 178.257 177.584 0.022 0.000 1.070 9 A CA 0.334 52.397 52.037 0.044 0.000 0.770 9 A CB 0.218 19.253 19.000 0.058 0.000 1.008 9 A HN 0.932 nan 8.150 nan 0.000 0.497 10 L N 1.914 123.137 121.223 0.001 0.000 2.334 10 L HA 0.330 4.671 4.340 0.001 0.000 0.277 10 L C -0.019 176.840 176.870 -0.018 0.000 1.075 10 L CA -0.422 54.401 54.840 -0.028 0.000 0.804 10 L CB 1.083 43.126 42.059 -0.027 0.000 1.174 10 L HN 0.560 nan 8.230 nan 0.000 0.438 11 I N 2.262 122.806 120.570 -0.044 0.000 2.505 11 I HA 0.036 4.207 4.170 0.001 0.000 0.287 11 I C 0.577 176.688 176.117 -0.010 0.000 1.104 11 I CA 0.198 61.485 61.300 -0.022 0.000 1.387 11 I CB 0.382 38.353 38.000 -0.047 0.000 1.404 11 I HN 0.652 nan 8.210 nan 0.000 0.528 12 T N 5.120 119.679 114.554 0.007 0.000 2.888 12 T HA 0.558 4.909 4.350 0.001 0.000 0.284 12 T C -2.404 172.311 174.700 0.024 0.000 1.017 12 T CA -2.144 59.963 62.100 0.012 0.000 1.022 12 T CB 1.820 70.694 68.868 0.011 0.000 1.013 12 T HN 0.261 nan 8.240 nan 0.000 0.465 13 P HA 0.185 nan 4.420 nan 0.000 0.272 13 P C 0.367 177.689 177.300 0.037 0.000 1.240 13 P CA -0.593 62.528 63.100 0.036 0.000 0.791 13 P CB 0.788 32.510 31.700 0.035 0.000 0.978 14 C N 0.487 119.813 119.300 0.043 0.000 2.735 14 C HA 0.606 5.067 4.460 0.001 0.000 0.271 14 C C 0.761 175.771 174.990 0.033 0.000 1.281 14 C CA 0.851 59.893 59.018 0.039 0.000 1.719 14 C CB -1.201 26.569 27.740 0.049 0.000 2.024 14 C HN 0.738 nan 8.230 nan 0.000 0.566 15 A N -0.308 122.534 122.820 0.037 0.000 2.586 15 A HA 0.699 5.020 4.320 0.001 0.000 0.290 15 A C -0.568 177.042 177.584 0.044 0.000 1.086 15 A CA 0.153 52.212 52.037 0.036 0.000 0.665 15 A CB -0.194 18.827 19.000 0.036 0.000 1.279 15 A HN 1.085 nan 8.150 nan 0.000 0.423 16 A N 0.298 123.145 122.820 0.044 0.000 2.565 16 A HA 0.469 4.790 4.320 0.001 0.000 0.237 16 A C 0.025 177.652 177.584 0.071 0.000 1.053 16 A CA 0.647 52.716 52.037 0.053 0.000 0.755 16 A CB -0.416 18.614 19.000 0.050 0.000 0.980 16 A HN 0.608 nan 8.150 nan 0.000 0.506 17 E N 1.940 122.188 120.200 0.080 0.000 2.145 17 E HA 0.280 4.631 4.350 0.001 0.000 0.270 17 E C -0.857 175.827 176.600 0.140 0.000 0.906 17 E CA -0.726 55.737 56.400 0.104 0.000 0.761 17 E CB 1.350 31.101 29.700 0.085 0.000 1.116 17 E HN 0.603 nan 8.360 nan 0.000 0.408 18 E N 1.615 121.939 120.200 0.206 0.000 2.259 18 E HA 0.038 4.389 4.350 0.001 0.000 0.281 18 E C 0.454 177.268 176.600 0.357 0.000 1.037 18 E CA 0.034 56.603 56.400 0.282 0.000 0.854 18 E CB 1.483 31.395 29.700 0.353 0.000 1.051 18 E HN 0.610 nan 8.360 nan 0.000 0.409 19 S N 2.526 118.404 115.700 0.296 0.000 2.497 19 S HA 0.009 4.480 4.470 0.001 0.000 0.218 19 S C 0.710 175.537 174.600 0.379 0.000 1.023 19 S CA -0.021 58.345 58.200 0.277 0.000 0.913 19 S CB 0.326 63.639 63.200 0.189 0.000 0.800 19 S HN 0.345 nan 8.310 nan 0.000 0.505 20 K N 0.998 121.632 120.400 0.391 0.000 2.350 20 K HA 0.583 4.903 4.320 0.001 0.000 0.241 20 K C -1.218 175.583 176.600 0.335 0.000 0.994 20 K CA -1.230 55.275 56.287 0.363 0.000 0.839 20 K CB 0.940 33.566 32.500 0.210 0.000 1.244 20 K HN 0.166 nan 8.250 nan 0.000 0.443 21 L N 3.072 124.470 121.223 0.290 0.000 2.290 21 L HA 0.386 4.727 4.340 0.001 0.000 0.284 21 L C -2.235 174.645 176.870 0.017 0.000 1.078 21 L CA -1.462 53.423 54.840 0.074 0.000 0.815 21 L CB 0.527 42.730 42.059 0.240 0.000 1.162 21 L HN 0.588 nan 8.230 nan 0.000 0.435 22 P HA 0.214 nan 4.420 nan 0.000 0.274 22 P C -1.087 176.152 177.300 -0.102 0.000 1.231 22 P CA -0.320 62.719 63.100 -0.101 0.000 0.790 22 P CB 1.143 32.748 31.700 -0.157 0.000 0.951 23 I N 3.196 123.700 120.570 -0.110 0.000 2.389 23 I HA 0.274 4.445 4.170 0.001 0.000 0.288 23 I C 0.390 176.433 176.117 -0.124 0.000 0.999 23 I CA -0.553 60.646 61.300 -0.169 0.000 1.129 23 I CB 1.156 38.944 38.000 -0.353 0.000 1.288 23 I HN 0.513 nan 8.210 nan 0.000 0.444 24 N N 4.869 123.508 118.700 -0.102 0.000 3.038 24 N HA 0.538 5.279 4.740 0.001 0.000 0.307 24 N C 0.457 175.926 175.510 -0.068 0.000 1.441 24 N CA -0.520 52.484 53.050 -0.076 0.000 0.772 24 N CB 0.618 39.068 38.487 -0.061 0.000 1.651 24 N HN 0.355 nan 8.380 nan 0.000 0.593 25 A N 0.219 123.006 122.820 -0.055 0.000 1.858 25 A HA -0.029 4.292 4.320 0.001 0.000 0.216 25 A C 2.086 179.649 177.584 -0.035 0.000 1.190 25 A CA 1.314 53.321 52.037 -0.049 0.000 0.617 25 A CB -1.225 17.747 19.000 -0.047 0.000 0.827 25 A HN 0.591 nan 8.150 nan 0.000 0.443 26 L N -0.678 120.524 121.223 -0.035 0.000 2.043 26 L HA -0.214 4.127 4.340 0.001 0.000 0.212 26 L C 2.956 179.867 176.870 0.069 0.000 1.075 26 L CA 1.798 56.627 54.840 -0.019 0.000 0.752 26 L CB -0.436 41.586 42.059 -0.062 0.000 0.891 26 L HN 0.520 nan 8.230 nan 0.000 0.432 27 S N -0.217 115.501 115.700 0.029 0.000 2.387 27 S HA -0.176 4.295 4.470 0.001 0.000 0.226 27 S C 1.693 176.304 174.600 0.017 0.000 1.026 27 S CA 1.587 59.808 58.200 0.035 0.000 0.972 27 S CB -0.228 62.967 63.200 -0.008 0.000 0.814 27 S HN 0.475 nan 8.310 nan 0.000 0.477 28 N N 0.593 119.282 118.700 -0.019 0.000 2.396 28 N HA -0.040 4.700 4.740 0.001 0.000 0.180 28 N C 1.670 177.170 175.510 -0.018 0.000 1.028 28 N CA 1.307 54.336 53.050 -0.034 0.000 0.893 28 N CB -0.124 38.318 38.487 -0.075 0.000 0.967 28 N HN 0.462 nan 8.380 nan 0.000 0.440 29 S N -0.786 114.915 115.700 0.001 0.000 2.489 29 S HA -0.041 4.430 4.470 0.001 0.000 0.228 29 S C 1.637 176.248 174.600 0.020 0.000 0.995 29 S CA 0.242 58.432 58.200 -0.017 0.000 0.934 29 S CB -0.155 63.037 63.200 -0.014 0.000 0.771 29 S HN 0.309 nan 8.310 nan 0.000 0.522 30 L N 0.376 121.645 121.223 0.077 0.000 2.221 30 L HA 0.579 4.920 4.340 0.001 0.000 0.202 30 L C 0.227 177.141 176.870 0.073 0.000 1.074 30 L CA 0.955 55.848 54.840 0.088 0.000 0.795 30 L CB 0.006 41.940 42.059 -0.209 0.000 0.960 30 L HN 0.540 nan 8.230 nan 0.000 0.458 31 L N -1.001 120.238 121.223 0.026 0.000 2.543 31 L HA 0.359 4.700 4.340 0.001 0.000 0.265 31 L C 0.409 177.288 176.870 0.015 0.000 0.945 31 L CA -0.459 54.390 54.840 0.015 0.000 0.869 31 L CB 1.556 43.641 42.059 0.043 0.000 1.294 31 L HN 0.001 nan 8.230 nan 0.000 0.405 32 R N 1.342 121.811 120.500 -0.053 0.000 2.090 32 R HA 0.132 4.473 4.340 0.001 0.000 0.219 32 R C 0.167 176.605 176.300 0.230 0.000 1.100 32 R CA 0.556 56.670 56.100 0.023 0.000 0.991 32 R CB 0.008 30.273 30.300 -0.059 0.000 0.893 32 R HN 0.642 nan 8.270 nan 0.000 0.443 33 H N 1.334 120.488 119.070 0.141 0.000 3.268 33 H HA 0.010 4.566 4.556 0.001 0.000 0.213 33 H C 0.694 176.087 175.328 0.108 0.000 1.858 33 H CA -0.316 55.795 56.048 0.105 0.000 1.386 33 H CB -0.267 29.529 29.762 0.058 0.000 1.734 33 H HN 0.512 nan 8.280 nan 0.000 0.612 34 H N -1.078 118.091 119.070 0.165 0.000 2.518 34 H HA -0.062 4.494 4.556 0.001 0.000 0.289 34 H C 1.238 176.657 175.328 0.151 0.000 1.051 34 H CA 0.554 56.684 56.048 0.138 0.000 1.280 34 H CB 0.111 29.930 29.762 0.096 0.000 1.380 34 H HN 0.298 nan 8.280 nan 0.000 0.566 35 N N 0.330 118.853 118.700 -0.296 0.000 2.521 35 N HA -0.005 4.736 4.740 0.001 0.000 0.188 35 N C 0.992 176.508 175.510 0.010 0.000 1.146 35 N CA 0.623 53.569 53.050 -0.173 0.000 0.893 35 N CB 0.080 38.419 38.487 -0.247 0.000 0.975 35 N HN 0.578 nan 8.380 nan 0.000 0.451 36 M N -0.467 119.188 119.600 0.090 0.000 2.492 36 M HA 0.108 4.589 4.480 0.001 0.000 0.255 36 M C 0.114 176.565 176.300 0.251 0.000 1.139 36 M CA 0.286 55.674 55.300 0.147 0.000 1.096 36 M CB 0.740 33.434 32.600 0.156 0.000 1.360 36 M HN -0.253 nan 8.290 nan 0.000 0.480 37 V N 1.715 121.786 119.914 0.263 0.000 2.546 37 V HA 0.191 4.312 4.120 0.001 0.000 0.284 37 V C -0.686 175.651 176.094 0.406 0.000 1.050 37 V CA -0.453 62.031 62.300 0.306 0.000 0.981 37 V CB 0.311 32.312 31.823 0.298 0.000 0.990 37 V HN 0.328 nan 8.190 nan 0.000 0.474 38 Y N 2.446 122.839 120.300 0.156 0.000 2.597 38 Y HA 0.894 5.445 4.550 0.001 0.000 0.340 38 Y C -0.483 175.395 175.900 -0.038 0.000 1.097 38 Y CA -1.598 56.578 58.100 0.127 0.000 1.037 38 Y CB 1.530 40.057 38.460 0.111 0.000 1.305 38 Y HN 0.683 nan 8.280 nan 0.000 0.463 39 A N 1.623 124.402 122.820 -0.069 0.000 2.342 39 A HA 0.661 4.982 4.320 0.001 0.000 0.323 39 A C -0.150 177.447 177.584 0.023 0.000 1.125 39 A CA -0.423 51.424 52.037 -0.316 0.000 0.785 39 A CB 0.411 19.043 19.000 -0.615 0.000 1.221 39 A HN 1.091 nan 8.150 nan 0.000 0.463 40 T N 0.455 115.030 114.554 0.034 0.000 2.919 40 T HA 0.521 4.872 4.350 0.001 0.000 0.302 40 T C 0.476 175.223 174.700 0.078 0.000 1.031 40 T CA 0.409 62.595 62.100 0.144 0.000 1.127 40 T CB 0.569 69.538 68.868 0.170 0.000 0.952 40 T HN 1.280 nan 8.240 nan 0.000 0.540 41 T N -1.539 113.068 114.554 0.088 0.000 2.858 41 T HA 0.487 4.838 4.350 0.001 0.000 0.285 41 T C 1.462 176.191 174.700 0.048 0.000 1.052 41 T CA -0.268 61.870 62.100 0.064 0.000 1.009 41 T CB 1.204 70.115 68.868 0.071 0.000 1.241 41 T HN 0.729 nan 8.240 nan 0.000 0.542 42 S N -0.336 115.386 115.700 0.037 0.000 2.500 42 S HA -0.094 4.377 4.470 0.001 0.000 0.239 42 S C 1.752 176.355 174.600 0.005 0.000 0.989 42 S CA 0.233 58.445 58.200 0.019 0.000 0.951 42 S CB -0.665 62.546 63.200 0.019 0.000 0.759 42 S HN 0.682 nan 8.310 nan 0.000 0.523 43 R N 1.499 122.009 120.500 0.017 0.000 2.148 43 R HA -0.015 4.326 4.340 0.001 0.000 0.227 43 R C 2.065 178.361 176.300 -0.006 0.000 1.103 43 R CA 1.463 57.567 56.100 0.007 0.000 0.983 43 R CB -0.428 29.885 30.300 0.021 0.000 0.874 43 R HN 0.712 nan 8.270 nan 0.000 0.451 44 S N -0.638 115.064 115.700 0.003 0.000 2.634 44 S HA 0.220 4.691 4.470 0.001 0.000 0.221 44 S C 1.649 176.228 174.600 -0.035 0.000 0.952 44 S CA 0.194 58.388 58.200 -0.009 0.000 0.930 44 S CB 0.834 64.043 63.200 0.016 0.000 0.780 44 S HN 0.255 nan 8.310 nan 0.000 0.498 45 A N 2.063 124.853 122.820 -0.050 0.000 1.933 45 A HA 0.215 4.536 4.320 0.001 0.000 0.218 45 A C 2.244 179.733 177.584 -0.158 0.000 1.175 45 A CA 1.358 53.341 52.037 -0.089 0.000 0.628 45 A CB -1.543 17.404 19.000 -0.089 0.000 0.814 45 A HN 0.653 nan 8.150 nan 0.000 0.444 46 G N -0.436 108.271 108.800 -0.155 0.000 2.471 46 G HA2 -0.071 3.890 3.960 0.001 0.000 0.219 46 G HA3 -0.071 3.890 3.960 0.001 0.000 0.219 46 G C 1.453 176.256 174.900 -0.162 0.000 1.125 46 G CA 0.919 45.898 45.100 -0.201 0.000 0.775 46 G HN 0.451 nan 8.290 nan 0.000 0.548 47 L N -0.504 120.656 121.223 -0.104 0.000 2.131 47 L HA 0.100 4.440 4.340 0.001 0.000 0.206 47 L C 2.824 179.657 176.870 -0.061 0.000 1.087 47 L CA 0.801 55.600 54.840 -0.069 0.000 0.767 47 L CB -0.245 41.788 42.059 -0.043 0.000 0.917 47 L HN 0.129 nan 8.230 nan 0.000 0.441 48 R N 0.585 121.042 120.500 -0.071 0.000 2.092 48 R HA -0.137 4.204 4.340 0.001 0.000 0.231 48 R C 2.194 178.448 176.300 -0.077 0.000 1.119 48 R CA 1.445 57.517 56.100 -0.047 0.000 0.970 48 R CB -0.314 29.962 30.300 -0.040 0.000 0.864 48 R HN 0.361 nan 8.270 nan 0.000 0.440 49 Q N 0.088 119.767 119.800 -0.202 0.000 2.135 49 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 49 Q C 1.875 177.812 176.000 -0.105 0.000 0.981 49 Q CA 1.919 57.527 55.803 -0.325 0.000 0.856 49 Q CB -0.080 28.183 28.738 -0.792 0.000 0.902 49 Q HN 0.364 nan 8.270 nan 0.000 0.425 50 K N 0.751 121.106 120.400 -0.075 0.000 2.097 50 K HA -0.117 4.204 4.320 0.001 0.000 0.205 50 K C 2.007 178.676 176.600 0.116 0.000 1.050 50 K CA 0.965 57.270 56.287 0.029 0.000 0.938 50 K CB -0.021 32.483 32.500 0.006 0.000 0.718 50 K HN 0.086 nan 8.250 nan 0.000 0.442 51 K N 0.707 121.166 120.400 0.097 0.000 2.057 51 K HA -0.110 4.211 4.320 0.001 0.000 0.207 51 K C 1.979 178.754 176.600 0.293 0.000 1.049 51 K CA 1.616 58.000 56.287 0.162 0.000 0.931 51 K CB -0.005 32.561 32.500 0.109 0.000 0.714 51 K HN 0.129 nan 8.250 nan 0.000 0.440 52 V N -1.939 118.108 119.914 0.221 0.000 3.647 52 V HA 0.095 4.216 4.120 0.001 0.000 0.279 52 V C 0.275 176.411 176.094 0.070 0.000 1.314 52 V CA 0.038 62.467 62.300 0.215 0.000 1.125 52 V CB 0.319 32.241 31.823 0.166 0.000 0.907 52 V HN -0.058 nan 8.190 nan 0.000 0.434 53 T N 4.440 119.112 114.554 0.197 0.000 2.781 53 T HA 0.726 5.077 4.350 0.001 0.000 0.305 53 T C -0.757 174.060 174.700 0.194 0.000 1.001 53 T CA -0.036 62.181 62.100 0.194 0.000 0.950 53 T CB 0.223 69.355 68.868 0.440 0.000 0.955 53 T HN 0.613 nan 8.240 nan 0.000 0.471 54 F N -0.155 119.899 119.950 0.173 0.000 2.779 54 F HA 0.687 5.215 4.527 0.001 0.000 0.316 54 F C -1.101 174.740 175.800 0.068 0.000 1.164 54 F CA -1.794 56.270 58.000 0.106 0.000 0.924 54 F CB 0.614 39.667 39.000 0.087 0.000 1.348 54 F HN 0.189 nan 8.300 nan 0.000 0.467 55 D N 0.538 121.150 120.400 0.352 0.000 2.256 55 D HA 0.452 5.093 4.640 0.001 0.000 0.250 55 D C -0.915 175.543 176.300 0.262 0.000 1.093 55 D CA -0.114 54.008 54.000 0.205 0.000 0.882 55 D CB 0.980 41.855 40.800 0.124 0.000 1.185 55 D HN 0.556 nan 8.370 nan 0.000 0.437 56 R N 2.574 123.170 120.500 0.160 0.000 2.295 56 R HA 0.452 4.793 4.340 0.001 0.000 0.324 56 R C -0.798 175.538 176.300 0.060 0.000 0.968 56 R CA -0.674 55.508 56.100 0.137 0.000 0.837 56 R CB 1.074 31.434 30.300 0.099 0.000 1.133 56 R HN 0.363 nan 8.270 nan 0.000 0.450 57 L N 2.927 124.175 121.223 0.042 0.000 2.307 57 L HA 0.501 4.841 4.340 0.001 0.000 0.284 57 L C -0.891 175.976 176.870 -0.005 0.000 1.023 57 L CA -0.281 54.565 54.840 0.009 0.000 0.810 57 L CB 1.668 43.727 42.059 -0.001 0.000 1.231 57 L HN 0.707 nan 8.230 nan 0.000 0.423 58 Q N 3.210 122.999 119.800 -0.019 0.000 2.285 58 Q HA 0.604 4.945 4.340 0.001 0.000 0.269 58 Q C -2.097 173.875 176.000 -0.046 0.000 1.030 58 Q CA -0.518 55.267 55.803 -0.029 0.000 0.788 58 Q CB 2.559 31.276 28.738 -0.035 0.000 1.266 58 Q HN 0.453 nan 8.270 nan 0.000 0.438 59 V N 5.216 125.102 119.914 -0.047 0.000 2.525 59 V HA 0.444 4.565 4.120 0.001 0.000 0.299 59 V C -0.290 175.795 176.094 -0.015 0.000 1.034 59 V CA -0.659 61.610 62.300 -0.051 0.000 0.863 59 V CB 1.524 33.312 31.823 -0.059 0.000 0.999 59 V HN 0.781 nan 8.190 nan 0.000 0.423 60 L N 4.108 125.296 121.223 -0.058 0.000 2.416 60 L HA 0.761 5.102 4.340 0.001 0.000 0.262 60 L C -0.194 176.719 176.870 0.072 0.000 1.093 60 L CA -0.405 54.403 54.840 -0.053 0.000 0.801 60 L CB 1.662 43.520 42.059 -0.335 0.000 1.191 60 L HN 0.868 nan 8.230 nan 0.000 0.459 61 D N -2.524 117.988 120.400 0.186 0.000 2.812 61 D HA 0.186 4.826 4.640 0.001 0.000 0.318 61 D C -0.116 176.258 176.300 0.124 0.000 1.234 61 D CA -0.582 53.501 54.000 0.139 0.000 0.989 61 D CB 0.498 41.397 40.800 0.164 0.000 1.442 61 D HN 0.226 nan 8.370 nan 0.000 0.537 62 D N -1.424 118.984 120.400 0.012 0.000 2.178 62 D HA -0.137 4.504 4.640 0.001 0.000 0.201 62 D C 1.556 177.826 176.300 -0.051 0.000 0.980 62 D CA 1.204 55.167 54.000 -0.061 0.000 0.842 62 D CB -0.148 40.548 40.800 -0.173 0.000 0.948 62 D HN 0.381 nan 8.370 nan 0.000 0.472 63 H N -0.959 118.174 119.070 0.105 0.000 2.357 63 H HA -0.127 4.429 4.556 0.001 0.000 0.301 63 H C 1.953 177.304 175.328 0.037 0.000 1.082 63 H CA 0.972 57.068 56.048 0.080 0.000 1.342 63 H CB -0.619 29.216 29.762 0.122 0.000 1.389 63 H HN 0.310 nan 8.280 nan 0.000 0.511 64 Y N 2.093 122.416 120.300 0.038 0.000 2.165 64 Y HA -0.221 4.329 4.550 0.001 0.000 0.286 64 Y C 2.624 178.462 175.900 -0.103 0.000 1.155 64 Y CA 1.510 59.501 58.100 -0.182 0.000 1.164 64 Y CB 0.036 38.311 38.460 -0.308 0.000 0.978 64 Y HN -0.019 nan 8.280 nan 0.000 0.513 65 R N -0.060 120.537 120.500 0.163 0.000 2.075 65 R HA -0.136 4.205 4.340 0.001 0.000 0.232 65 R C 1.767 178.058 176.300 -0.015 0.000 1.126 65 R CA 1.452 57.604 56.100 0.086 0.000 0.963 65 R CB -0.353 29.999 30.300 0.087 0.000 0.858 65 R HN 0.378 nan 8.270 nan 0.000 0.435 66 D N 0.305 120.699 120.400 -0.011 0.000 2.117 66 D HA -0.113 4.528 4.640 0.001 0.000 0.197 66 D C 1.982 178.255 176.300 -0.045 0.000 0.987 66 D CA 1.058 55.048 54.000 -0.017 0.000 0.829 66 D CB -0.109 40.695 40.800 0.007 0.000 0.961 66 D HN 0.016 nan 8.370 nan 0.000 0.460 67 V N 1.164 121.025 119.914 -0.089 0.000 2.379 67 V HA -0.175 3.946 4.120 0.001 0.000 0.245 67 V C 2.417 178.418 176.094 -0.156 0.000 1.044 67 V CA 0.853 63.074 62.300 -0.131 0.000 1.036 67 V CB -0.411 31.285 31.823 -0.211 0.000 0.664 67 V HN 0.131 nan 8.190 nan 0.000 0.453 68 L N 0.706 121.781 121.223 -0.247 0.000 2.079 68 L HA -0.169 4.172 4.340 0.001 0.000 0.210 68 L C 2.326 179.137 176.870 -0.100 0.000 1.081 68 L CA 2.064 56.773 54.840 -0.218 0.000 0.752 68 L CB -0.897 40.997 42.059 -0.276 0.000 0.896 68 L HN 0.249 nan 8.230 nan 0.000 0.433 69 K N -0.358 120.000 120.400 -0.070 0.000 2.148 69 K HA -0.177 4.144 4.320 0.001 0.000 0.204 69 K C 1.846 178.432 176.600 -0.024 0.000 1.050 69 K CA 1.606 57.872 56.287 -0.035 0.000 0.942 69 K CB -0.016 32.471 32.500 -0.022 0.000 0.724 69 K HN 0.555 nan 8.250 nan 0.000 0.446 70 E N 0.331 120.517 120.200 -0.023 0.000 2.072 70 E HA -0.147 4.204 4.350 0.001 0.000 0.191 70 E C 2.143 178.745 176.600 0.003 0.000 0.985 70 E CA 1.321 57.719 56.400 -0.004 0.000 0.801 70 E CB -0.083 29.622 29.700 0.007 0.000 0.750 70 E HN 0.310 nan 8.360 nan 0.000 0.452 71 M N 0.771 120.372 119.600 0.001 0.000 2.108 71 M HA -0.186 4.295 4.480 0.001 0.000 0.261 71 M C 2.092 178.384 176.300 -0.014 0.000 1.066 71 M CA 1.487 56.792 55.300 0.009 0.000 1.107 71 M CB -0.225 32.381 32.600 0.010 0.000 1.356 71 M HN -0.033 nan 8.290 nan 0.000 0.406 72 K N 0.166 120.552 120.400 -0.022 0.000 2.155 72 K HA -0.003 4.318 4.320 0.001 0.000 0.203 72 K C 2.101 178.694 176.600 -0.011 0.000 1.052 72 K CA 1.164 57.440 56.287 -0.019 0.000 0.948 72 K CB -0.180 32.307 32.500 -0.022 0.000 0.728 72 K HN 0.285 nan 8.250 nan 0.000 0.448 73 A N 2.063 124.877 122.820 -0.009 0.000 1.933 73 A HA -0.179 4.142 4.320 0.001 0.000 0.218 73 A C 1.905 179.485 177.584 -0.006 0.000 1.175 73 A CA 1.450 53.484 52.037 -0.005 0.000 0.628 73 A CB -0.174 18.825 19.000 -0.002 0.000 0.814 73 A HN 0.187 nan 8.150 nan 0.000 0.444 74 K N -0.581 119.813 120.400 -0.009 0.000 2.116 74 K HA 0.129 4.450 4.320 0.001 0.000 0.203 74 K C 2.260 178.848 176.600 -0.021 0.000 1.052 74 K CA 0.799 57.076 56.287 -0.016 0.000 0.952 74 K CB -0.241 32.246 32.500 -0.022 0.000 0.729 74 K HN 0.390 nan 8.250 nan 0.000 0.446 75 A N 1.180 123.988 122.820 -0.020 0.000 2.024 75 A HA -0.149 4.172 4.320 0.001 0.000 0.220 75 A C 2.072 179.654 177.584 -0.003 0.000 1.164 75 A CA 1.660 53.689 52.037 -0.013 0.000 0.643 75 A CB -0.468 18.531 19.000 -0.002 0.000 0.806 75 A HN 0.142 nan 8.150 nan 0.000 0.451 76 S N -0.492 115.206 115.700 -0.002 0.000 2.474 76 S HA -0.095 4.376 4.470 0.001 0.000 0.235 76 S C 1.923 176.523 174.600 -0.000 0.000 0.997 76 S CA 1.570 59.771 58.200 0.002 0.000 0.949 76 S CB -0.426 62.775 63.200 0.002 0.000 0.766 76 S HN 0.907 nan 8.310 nan 0.000 0.517 77 T N -0.830 113.721 114.554 -0.006 0.000 3.129 77 T HA 0.221 4.571 4.350 0.001 0.000 0.251 77 T C 0.352 175.046 174.700 -0.010 0.000 1.117 77 T CA -0.125 61.970 62.100 -0.008 0.000 1.034 77 T CB -0.198 68.663 68.868 -0.011 0.000 0.968 77 T HN -0.006 nan 8.240 nan 0.000 0.526 78 V N 1.732 121.640 119.914 -0.010 0.000 2.439 78 V HA 0.456 4.577 4.120 0.001 0.000 0.282 78 V C -0.028 176.064 176.094 -0.003 0.000 1.039 78 V CA -1.025 61.267 62.300 -0.013 0.000 0.913 78 V CB 1.495 33.305 31.823 -0.021 0.000 0.983 78 V HN 0.350 nan 8.190 nan 0.000 0.460 79 K N 3.639 124.037 120.400 -0.004 0.000 2.307 79 K HA 0.777 5.098 4.320 0.001 0.000 0.263 79 K C -0.618 175.984 176.600 0.002 0.000 0.973 79 K CA -0.377 55.912 56.287 0.003 0.000 0.846 79 K CB 1.480 33.983 32.500 0.005 0.000 1.100 79 K HN 0.835 nan 8.250 nan 0.000 0.438 80 A N 3.778 126.604 122.820 0.009 0.000 2.355 80 A HA 0.620 4.941 4.320 0.001 0.000 0.324 80 A C -1.268 176.331 177.584 0.024 0.000 1.117 80 A CA -0.834 51.208 52.037 0.009 0.000 0.785 80 A CB 1.249 20.249 19.000 -0.001 0.000 1.254 80 A HN 0.610 nan 8.150 nan 0.000 0.453 81 K N 0.437 120.854 120.400 0.029 0.000 2.156 81 K HA 0.622 4.943 4.320 0.001 0.000 0.250 81 K C -0.652 175.979 176.600 0.051 0.000 0.955 81 K CA -0.731 55.579 56.287 0.037 0.000 0.855 81 K CB 1.248 33.766 32.500 0.031 0.000 1.101 81 K HN 0.542 nan 8.250 nan 0.000 0.434 82 L N 2.448 123.701 121.223 0.050 0.000 2.426 82 L HA 0.241 4.582 4.340 0.001 0.000 0.271 82 L C -0.769 176.106 176.870 0.009 0.000 1.169 82 L CA -0.127 54.742 54.840 0.047 0.000 0.836 82 L CB 0.282 42.370 42.059 0.048 0.000 1.112 82 L HN 0.440 nan 8.230 nan 0.000 0.465 83 L N 3.117 124.333 121.223 -0.011 0.000 2.334 83 L HA 0.397 4.738 4.340 0.001 0.000 0.277 83 L C 0.355 177.149 176.870 -0.127 0.000 1.075 83 L CA 0.317 55.130 54.840 -0.045 0.000 0.804 83 L CB 1.404 43.445 42.059 -0.030 0.000 1.174 83 L HN 0.830 nan 8.230 nan 0.000 0.438 84 S N 2.018 117.651 115.700 -0.113 0.000 2.593 84 S HA 0.191 4.662 4.470 0.001 0.000 0.269 84 S C 1.256 175.750 174.600 -0.176 0.000 1.334 84 S CA -0.631 57.485 58.200 -0.139 0.000 1.015 84 S CB 0.971 64.115 63.200 -0.094 0.000 0.912 84 S HN 0.362 nan 8.310 nan 0.000 0.541 85 V N 2.449 122.240 119.914 -0.205 0.000 2.332 85 V HA -0.168 3.952 4.120 0.001 0.000 0.248 85 V C 2.829 178.817 176.094 -0.176 0.000 1.055 85 V CA 2.185 64.341 62.300 -0.239 0.000 1.038 85 V CB -1.193 30.444 31.823 -0.310 0.000 0.651 85 V HN 0.981 nan 8.190 nan 0.000 0.450 86 E N 0.624 120.743 120.200 -0.136 0.000 2.051 86 E HA -0.275 4.076 4.350 0.001 0.000 0.192 86 E C 1.939 178.472 176.600 -0.113 0.000 0.991 86 E CA 1.563 57.897 56.400 -0.111 0.000 0.799 86 E CB -0.497 29.153 29.700 -0.083 0.000 0.748 86 E HN 0.714 nan 8.360 nan 0.000 0.449 87 E N 1.386 121.518 120.200 -0.113 0.000 2.058 87 E HA -0.151 4.199 4.350 0.001 0.000 0.194 87 E C 2.194 178.695 176.600 -0.165 0.000 0.997 87 E CA 1.384 57.710 56.400 -0.122 0.000 0.801 87 E CB -0.237 29.400 29.700 -0.105 0.000 0.746 87 E HN 0.380 nan 8.360 nan 0.000 0.450 88 A N 0.729 123.448 122.820 -0.169 0.000 1.940 88 A HA -0.212 4.109 4.320 0.001 0.000 0.219 88 A C 2.419 179.908 177.584 -0.158 0.000 1.176 88 A CA 1.336 53.266 52.037 -0.179 0.000 0.631 88 A CB -0.849 18.060 19.000 -0.152 0.000 0.814 88 A HN 0.381 nan 8.150 nan 0.000 0.446 89 C N -0.576 118.640 119.300 -0.139 0.000 2.446 89 C HA -0.054 4.407 4.460 0.001 0.000 0.277 89 C C 2.640 177.558 174.990 -0.120 0.000 1.275 89 C CA 1.136 60.082 59.018 -0.120 0.000 1.727 89 C CB -0.984 26.686 27.740 -0.116 0.000 2.010 89 C HN 0.594 nan 8.230 nan 0.000 0.486 90 K N 0.716 121.046 120.400 -0.117 0.000 2.152 90 K HA -0.076 4.245 4.320 0.001 0.000 0.206 90 K C 1.585 178.131 176.600 -0.090 0.000 1.048 90 K CA 1.071 57.302 56.287 -0.093 0.000 0.933 90 K CB -0.272 32.182 32.500 -0.075 0.000 0.721 90 K HN 0.536 nan 8.250 nan 0.000 0.447 91 L N 1.022 122.153 121.223 -0.153 0.000 2.552 91 L HA -0.026 4.315 4.340 0.001 0.000 0.227 91 L C 0.474 177.249 176.870 -0.158 0.000 1.146 91 L CA 0.311 55.032 54.840 -0.197 0.000 0.858 91 L CB -0.267 41.562 42.059 -0.384 0.000 0.969 91 L HN 0.017 nan 8.230 nan 0.000 0.451 92 T N 1.710 116.180 114.554 -0.140 0.000 2.794 92 T HA 0.213 4.564 4.350 0.001 0.000 0.296 92 T C -2.292 172.283 174.700 -0.208 0.000 0.949 92 T CA -1.139 60.877 62.100 -0.139 0.000 1.101 92 T CB 1.083 69.883 68.868 -0.113 0.000 0.905 92 T HN -0.130 nan 8.240 nan 0.000 0.516 93 P HA 0.132 nan 4.420 nan 0.000 0.265 93 P C -1.911 175.160 177.300 -0.383 0.000 1.193 93 P CA -1.328 61.592 63.100 -0.300 0.000 0.765 93 P CB 0.204 31.852 31.700 -0.087 0.000 0.823 94 P HA -0.151 nan 4.420 nan 0.000 0.220 94 P C 0.208 177.152 177.300 -0.593 0.000 1.144 94 P CA 1.654 64.396 63.100 -0.596 0.000 0.800 94 P CB -0.147 31.126 31.700 -0.713 0.000 0.772 95 H N -2.590 116.383 119.070 -0.162 0.000 2.512 95 H HA 0.282 4.839 4.556 0.002 0.000 0.276 95 H C 0.613 175.882 175.328 -0.098 0.000 1.126 95 H CA -0.356 55.629 56.048 -0.105 0.000 1.060 95 H CB 0.008 29.723 29.762 -0.079 0.000 1.646 95 H HN -0.036 nan 8.280 nan 0.000 0.571 96 S N 1.134 116.803 115.700 -0.052 0.000 2.560 96 S HA 0.267 4.737 4.470 0.001 0.000 0.276 96 S C 0.778 175.347 174.600 -0.052 0.000 1.350 96 S CA -0.362 57.800 58.200 -0.064 0.000 1.024 96 S CB 0.252 63.407 63.200 -0.076 0.000 0.864 96 S HN 0.510 nan 8.310 nan 0.000 0.536 97 A N 3.553 126.325 122.820 -0.080 0.000 2.492 97 A HA 0.335 4.656 4.320 0.001 0.000 0.254 97 A C 0.424 177.991 177.584 -0.029 0.000 1.091 97 A CA -0.396 51.610 52.037 -0.052 0.000 0.768 97 A CB -0.237 18.718 19.000 -0.076 0.000 1.028 97 A HN 0.841 nan 8.150 nan 0.000 0.498 98 K N 2.191 122.566 120.400 -0.041 0.000 2.276 98 K HA 0.344 4.664 4.320 0.001 0.000 0.259 98 K C 0.364 176.872 176.600 -0.154 0.000 1.001 98 K CA -0.003 56.229 56.287 -0.092 0.000 0.927 98 K CB 0.465 32.913 32.500 -0.087 0.000 0.969 98 K HN 0.429 nan 8.250 nan 0.000 0.490 99 S N 0.044 115.541 115.700 -0.338 0.000 2.585 99 S HA 0.026 4.497 4.470 0.001 0.000 0.273 99 S C 0.742 175.098 174.600 -0.406 0.000 1.339 99 S CA -0.646 57.297 58.200 -0.429 0.000 1.028 99 S CB 0.509 63.152 63.200 -0.929 0.000 0.906 99 S HN 0.791 nan 8.310 nan 0.000 0.528 100 K N 2.281 122.396 120.400 -0.474 0.000 2.525 100 K HA 0.048 4.369 4.320 0.001 0.000 0.192 100 K C -0.220 175.979 176.600 -0.669 0.000 1.029 100 K CA 0.801 56.758 56.287 -0.551 0.000 1.029 100 K CB -0.230 31.897 32.500 -0.622 0.000 0.814 100 K HN 0.551 nan 8.250 nan 0.000 0.503 101 F N 1.187 120.948 119.950 -0.315 0.000 2.750 101 F HA 0.344 4.872 4.527 0.002 0.000 0.297 101 F C 1.063 176.743 175.800 -0.200 0.000 1.138 101 F CA -0.347 57.478 58.000 -0.291 0.000 1.346 101 F CB 0.896 39.578 39.000 -0.530 0.000 0.965 101 F HN 0.284 nan 8.300 nan 0.000 0.514 102 G N 0.371 109.116 108.800 -0.092 0.000 2.132 102 G HA2 -0.272 3.689 3.960 0.001 0.000 0.228 102 G HA3 -0.272 3.689 3.960 0.001 0.000 0.228 102 G C -0.333 174.641 174.900 0.123 0.000 1.000 102 G CA 0.138 45.251 45.100 0.021 0.000 0.693 102 G HN 0.537 nan 8.290 nan 0.000 0.515 103 Y N -2.601 117.688 120.300 -0.019 0.000 2.638 103 Y HA 0.796 5.347 4.550 0.002 0.000 0.335 103 Y C 0.351 176.243 175.900 -0.014 0.000 1.155 103 Y CA -1.132 56.959 58.100 -0.015 0.000 1.046 103 Y CB 0.640 39.094 38.460 -0.009 0.000 1.303 103 Y HN 0.691 nan 8.280 nan 0.000 0.460 104 G N -0.375 108.518 108.800 0.155 0.000 2.816 104 G HA2 0.539 4.500 3.960 0.001 0.000 0.288 104 G HA3 0.539 4.500 3.960 0.001 0.000 0.288 104 G C 0.151 175.109 174.900 0.097 0.000 1.334 104 G CA -0.787 44.343 45.100 0.049 0.000 0.978 104 G HN 1.191 nan 8.290 nan 0.000 0.493 105 A N -0.348 122.479 122.820 0.012 0.000 1.978 105 A HA -0.047 4.274 4.320 0.001 0.000 0.220 105 A C 2.146 179.691 177.584 -0.065 0.000 1.170 105 A CA 2.300 54.320 52.037 -0.028 0.000 0.636 105 A CB -0.467 18.476 19.000 -0.095 0.000 0.810 105 A HN 0.616 nan 8.150 nan 0.000 0.448 106 K N -0.037 120.319 120.400 -0.074 0.000 2.009 106 K HA -0.201 4.120 4.320 0.001 0.000 0.210 106 K C 1.517 178.086 176.600 -0.051 0.000 1.049 106 K CA 1.949 58.182 56.287 -0.090 0.000 0.929 106 K CB -0.198 32.259 32.500 -0.073 0.000 0.714 106 K HN 0.498 nan 8.250 nan 0.000 0.440 107 D N -0.091 120.309 120.400 0.001 0.000 2.117 107 D HA -0.152 4.489 4.640 0.001 0.000 0.197 107 D C 1.976 178.256 176.300 -0.033 0.000 0.987 107 D CA 1.256 55.258 54.000 0.002 0.000 0.829 107 D CB -0.166 40.674 40.800 0.067 0.000 0.961 107 D HN 0.070 nan 8.370 nan 0.000 0.460 108 V N 1.460 121.373 119.914 -0.001 0.000 2.295 108 V HA -0.238 3.882 4.120 0.001 0.000 0.246 108 V C 2.508 178.556 176.094 -0.077 0.000 1.049 108 V CA 1.608 63.884 62.300 -0.039 0.000 1.024 108 V CB -0.414 31.419 31.823 0.016 0.000 0.648 108 V HN 0.128 nan 8.190 nan 0.000 0.447 109 R N 0.170 120.617 120.500 -0.089 0.000 2.115 109 R HA -0.099 4.242 4.340 0.001 0.000 0.230 109 R C 2.020 178.265 176.300 -0.091 0.000 1.111 109 R CA 1.300 57.334 56.100 -0.110 0.000 0.976 109 R CB -0.373 29.836 30.300 -0.152 0.000 0.870 109 R HN 0.502 nan 8.270 nan 0.000 0.445 110 N N 0.663 119.315 118.700 -0.080 0.000 2.457 110 N HA 0.014 4.755 4.740 0.001 0.000 0.180 110 N C 0.427 175.897 175.510 -0.066 0.000 1.050 110 N CA 0.536 53.546 53.050 -0.067 0.000 0.906 110 N CB 0.209 38.662 38.487 -0.056 0.000 0.968 110 N HN 0.146 nan 8.380 nan 0.000 0.445 111 L N 0.824 122.000 121.223 -0.080 0.000 3.730 111 L HA -0.194 4.147 4.340 0.001 0.000 0.410 111 L C -0.108 176.712 176.870 -0.083 0.000 1.234 111 L CA -0.137 54.650 54.840 -0.088 0.000 0.911 111 L CB -2.632 39.382 42.059 -0.076 0.000 1.942 111 L HN 0.142 nan 8.230 nan 0.000 0.860 112 S N -1.972 113.677 115.700 -0.085 0.000 2.552 112 S HA 0.144 4.615 4.470 0.001 0.000 0.289 112 S C 1.276 175.818 174.600 -0.096 0.000 1.304 112 S CA 0.267 58.422 58.200 -0.076 0.000 1.063 112 S CB 1.813 64.973 63.200 -0.067 0.000 0.848 112 S HN 0.293 nan 8.310 nan 0.000 0.499 113 S N 2.079 117.740 115.700 -0.066 0.000 2.469 113 S HA -0.082 4.389 4.470 0.001 0.000 0.238 113 S C 1.756 176.314 174.600 -0.070 0.000 0.998 113 S CA 1.142 59.308 58.200 -0.056 0.000 0.957 113 S CB -0.361 62.822 63.200 -0.028 0.000 0.764 113 S HN 0.856 nan 8.310 nan 0.000 0.514 114 K N 1.303 121.651 120.400 -0.087 0.000 1.984 114 K HA -0.015 4.306 4.320 0.001 0.000 0.209 114 K C 2.277 178.720 176.600 -0.262 0.000 1.046 114 K CA 1.172 57.400 56.287 -0.100 0.000 0.934 114 K CB -0.456 32.013 32.500 -0.052 0.000 0.717 114 K HN 0.252 nan 8.250 nan 0.000 0.438 115 A N 0.968 123.502 122.820 -0.475 0.000 1.892 115 A HA -0.163 4.158 4.320 0.001 0.000 0.218 115 A C 2.291 179.581 177.584 -0.491 0.000 1.188 115 A CA 2.084 53.542 52.037 -0.965 0.000 0.631 115 A CB -0.967 17.606 19.000 -0.711 0.000 0.822 115 A HN 0.212 nan 8.150 nan 0.000 0.447 116 V N 1.201 120.944 119.914 -0.285 0.000 2.255 116 V HA -0.312 3.809 4.120 0.001 0.000 0.247 116 V C 2.527 178.523 176.094 -0.163 0.000 1.051 116 V CA 2.290 64.458 62.300 -0.221 0.000 1.018 116 V CB -1.014 30.727 31.823 -0.137 0.000 0.641 116 V HN 0.783 nan 8.190 nan 0.000 0.445 117 N N -0.780 117.892 118.700 -0.046 0.000 2.244 117 N HA -0.245 4.496 4.740 0.001 0.000 0.183 117 N C 2.027 177.556 175.510 0.032 0.000 1.016 117 N CA 1.432 54.518 53.050 0.061 0.000 0.866 117 N CB -0.251 38.265 38.487 0.049 0.000 0.980 117 N HN 0.710 nan 8.380 nan 0.000 0.430 118 H N 0.807 119.817 119.070 -0.100 0.000 2.423 118 H HA -0.003 4.554 4.556 0.002 0.000 0.297 118 H C 2.129 177.435 175.328 -0.037 0.000 1.075 118 H CA 0.869 56.881 56.048 -0.059 0.000 1.342 118 H CB 0.133 29.896 29.762 0.001 0.000 1.395 118 H HN 0.269 nan 8.280 nan 0.000 0.530 119 I N 0.024 120.523 120.570 -0.119 0.000 2.252 119 I HA -0.265 3.906 4.170 0.001 0.000 0.245 119 I C 2.207 178.247 176.117 -0.129 0.000 1.102 119 I CA 1.177 62.393 61.300 -0.139 0.000 1.385 119 I CB -0.416 37.470 38.000 -0.190 0.000 1.064 119 I HN 0.325 nan 8.210 nan 0.000 0.414 120 H N -0.037 118.995 119.070 -0.065 0.000 2.387 120 H HA -0.160 4.397 4.556 0.001 0.000 0.299 120 H C 2.562 177.899 175.328 0.014 0.000 1.090 120 H CA 1.731 57.769 56.048 -0.016 0.000 1.332 120 H CB 0.086 29.825 29.762 -0.038 0.000 1.386 120 H HN 0.363 nan 8.280 nan 0.000 0.516 121 S N -0.005 115.709 115.700 0.023 0.000 2.355 121 S HA -0.134 4.337 4.470 0.001 0.000 0.222 121 S C 2.303 176.847 174.600 -0.093 0.000 1.031 121 S CA 1.171 59.336 58.200 -0.058 0.000 0.993 121 S CB -0.759 62.349 63.200 -0.155 0.000 0.859 121 S HN 0.163 nan 8.310 nan 0.000 0.453 122 V N 1.158 120.955 119.914 -0.195 0.000 2.282 122 V HA -0.180 3.940 4.120 0.001 0.000 0.249 122 V C 2.249 178.360 176.094 0.028 0.000 1.057 122 V CA 2.086 64.313 62.300 -0.122 0.000 1.032 122 V CB -1.130 30.622 31.823 -0.120 0.000 0.645 122 V HN 0.705 nan 8.190 nan 0.000 0.447 123 W N 1.248 122.497 121.300 -0.085 0.000 2.332 123 W HA -0.256 4.405 4.660 0.001 0.000 0.321 123 W C 2.614 179.116 176.519 -0.028 0.000 1.219 123 W CA 2.416 59.738 57.345 -0.037 0.000 1.277 123 W CB -0.305 29.153 29.460 -0.004 0.000 1.161 123 W HN 0.225 nan 8.180 nan 0.000 0.476 124 K N 0.627 121.125 120.400 0.163 0.000 2.089 124 K HA -0.312 4.009 4.320 0.001 0.000 0.210 124 K C 1.708 178.263 176.600 -0.074 0.000 1.048 124 K CA 2.485 58.793 56.287 0.035 0.000 0.926 124 K CB -0.721 31.817 32.500 0.063 0.000 0.714 124 K HN 0.094 nan 8.250 nan 0.000 0.448 125 D N 0.178 120.535 120.400 -0.072 0.000 2.144 125 D HA -0.136 4.505 4.640 0.001 0.000 0.199 125 D C 2.061 178.280 176.300 -0.134 0.000 0.984 125 D CA 0.941 54.887 54.000 -0.091 0.000 0.834 125 D CB 0.037 40.788 40.800 -0.081 0.000 0.955 125 D HN 0.248 nan 8.370 nan 0.000 0.465 126 L N -0.064 121.041 121.223 -0.198 0.000 2.083 126 L HA -0.146 4.195 4.340 0.001 0.000 0.209 126 L C 2.390 179.086 176.870 -0.289 0.000 1.083 126 L CA 0.693 55.373 54.840 -0.266 0.000 0.752 126 L CB -0.338 41.483 42.059 -0.398 0.000 0.899 126 L HN 0.246 nan 8.230 nan 0.000 0.433 127 L N -0.990 120.037 121.223 -0.328 0.000 2.179 127 L HA -0.129 4.212 4.340 0.001 0.000 0.208 127 L C 2.214 178.997 176.870 -0.146 0.000 1.096 127 L CA 1.040 55.724 54.840 -0.260 0.000 0.779 127 L CB -0.305 41.604 42.059 -0.250 0.000 0.922 127 L HN 0.279 nan 8.230 nan 0.000 0.443 128 E N -0.974 119.155 120.200 -0.118 0.000 2.216 128 E HA -0.055 4.296 4.350 0.001 0.000 0.192 128 E C 0.210 176.769 176.600 -0.069 0.000 0.973 128 E CA 0.191 56.546 56.400 -0.076 0.000 0.851 128 E CB 0.434 30.100 29.700 -0.058 0.000 0.804 128 E HN 0.154 nan 8.360 nan 0.000 0.477 129 D N 0.341 120.693 120.400 -0.080 0.000 2.481 129 D HA 0.055 4.696 4.640 0.001 0.000 0.246 129 D C -0.319 175.935 176.300 -0.077 0.000 1.109 129 D CA -0.316 53.645 54.000 -0.065 0.000 0.845 129 D CB 1.402 42.170 40.800 -0.054 0.000 1.160 129 D HN -0.036 nan 8.370 nan 0.000 0.534 130 T N 0.613 115.129 114.554 -0.063 0.000 3.266 130 T HA 0.299 4.650 4.350 0.001 0.000 0.278 130 T C 0.780 175.452 174.700 -0.045 0.000 1.010 130 T CA -0.231 61.830 62.100 -0.065 0.000 0.909 130 T CB 0.085 68.917 68.868 -0.060 0.000 1.122 130 T HN 0.131 nan 8.240 nan 0.000 0.536 131 V N -0.162 119.729 119.914 -0.038 0.000 3.103 131 V HA 0.205 4.326 4.120 0.001 0.000 0.229 131 V C 0.982 177.068 176.094 -0.013 0.000 1.304 131 V CA 0.214 62.500 62.300 -0.023 0.000 1.298 131 V CB 0.102 31.913 31.823 -0.019 0.000 1.093 131 V HN 0.478 nan 8.190 nan 0.000 0.489 132 T N 4.248 118.793 114.554 -0.015 0.000 2.829 132 T HA 0.194 4.545 4.350 0.001 0.000 0.293 132 T C -2.475 172.226 174.700 0.003 0.000 0.970 132 T CA -0.449 61.651 62.100 -0.000 0.000 1.168 132 T CB 0.684 69.551 68.868 -0.002 0.000 0.911 132 T HN 0.165 nan 8.240 nan 0.000 0.535 133 P HA 0.151 nan 4.420 nan 0.000 0.264 133 P C -0.113 177.185 177.300 -0.003 0.000 1.193 133 P CA -0.060 63.055 63.100 0.025 0.000 0.763 133 P CB 0.260 32.022 31.700 0.102 0.000 0.810 134 I N 2.455 123.006 120.570 -0.033 0.000 2.519 134 I HA 0.124 4.295 4.170 0.001 0.000 0.287 134 I C 0.978 177.071 176.117 -0.040 0.000 1.047 134 I CA -0.223 61.062 61.300 -0.026 0.000 1.381 134 I CB 0.632 38.609 38.000 -0.037 0.000 1.417 134 I HN 0.320 nan 8.210 nan 0.000 0.540 135 D N 3.889 124.280 120.400 -0.015 0.000 2.304 135 D HA 0.307 4.948 4.640 0.001 0.000 0.247 135 D C -0.521 175.737 176.300 -0.069 0.000 1.089 135 D CA -0.027 53.947 54.000 -0.043 0.000 0.910 135 D CB 0.944 41.735 40.800 -0.016 0.000 1.199 135 D HN 0.603 nan 8.370 nan 0.000 0.426 136 T N -0.500 113.982 114.554 -0.120 0.000 2.906 136 T HA 0.573 4.923 4.350 0.001 0.000 0.295 136 T C -0.264 174.273 174.700 -0.272 0.000 1.061 136 T CA -0.958 61.032 62.100 -0.183 0.000 1.000 136 T CB 1.499 70.281 68.868 -0.145 0.000 1.103 136 T HN 0.230 nan 8.240 nan 0.000 0.486 137 T N 2.536 116.769 114.554 -0.536 0.000 2.882 137 T HA 0.561 4.912 4.350 0.001 0.000 0.287 137 T C -0.288 174.100 174.700 -0.520 0.000 0.992 137 T CA -0.623 61.123 62.100 -0.590 0.000 1.076 137 T CB 0.605 68.944 68.868 -0.883 0.000 0.961 137 T HN 0.723 nan 8.240 nan 0.000 0.490 138 I N 4.048 124.498 120.570 -0.201 0.000 2.389 138 I HA 0.476 4.647 4.170 0.001 0.000 0.288 138 I C -1.026 175.116 176.117 0.042 0.000 0.999 138 I CA -0.862 60.420 61.300 -0.031 0.000 1.129 138 I CB 0.741 38.777 38.000 0.060 0.000 1.288 138 I HN 0.405 nan 8.210 nan 0.000 0.444 139 M N 6.174 125.854 119.600 0.134 0.000 2.662 139 M HA 0.533 5.014 4.480 0.001 0.000 0.310 139 M C -0.300 176.065 176.300 0.109 0.000 1.204 139 M CA -0.641 54.744 55.300 0.141 0.000 0.891 139 M CB 1.773 34.511 32.600 0.231 0.000 1.732 139 M HN 0.600 nan 8.290 nan 0.000 0.467 140 A N 2.021 124.885 122.820 0.074 0.000 2.328 140 A HA 0.463 4.784 4.320 0.001 0.000 0.284 140 A C -0.129 177.496 177.584 0.068 0.000 1.160 140 A CA -0.463 51.610 52.037 0.059 0.000 0.818 140 A CB 0.155 19.177 19.000 0.036 0.000 1.087 140 A HN 0.756 nan 8.150 nan 0.000 0.504 141 K N 1.987 122.429 120.400 0.069 0.000 2.270 141 K HA 0.156 4.476 4.320 0.001 0.000 0.276 141 K C -0.661 175.959 176.600 0.033 0.000 1.023 141 K CA 0.058 56.377 56.287 0.053 0.000 0.955 141 K CB 0.673 33.210 32.500 0.063 0.000 0.975 141 K HN 0.758 nan 8.250 nan 0.000 0.471 142 N N 2.697 121.395 118.700 -0.004 0.000 2.485 142 N HA 0.099 4.840 4.740 0.001 0.000 0.243 142 N C -1.171 174.250 175.510 -0.150 0.000 0.987 142 N CA -0.363 52.655 53.050 -0.054 0.000 0.940 142 N CB 0.958 39.419 38.487 -0.043 0.000 1.122 142 N HN 0.413 nan 8.380 nan 0.000 0.509 143 E N 1.001 121.090 120.200 -0.185 0.000 2.312 143 E HA 0.432 4.783 4.350 0.001 0.000 0.267 143 E C -0.874 175.310 176.600 -0.694 0.000 0.894 143 E CA -0.993 55.173 56.400 -0.390 0.000 0.773 143 E CB 2.579 32.124 29.700 -0.258 0.000 1.241 143 E HN 0.092 nan 8.360 nan 0.000 0.432 144 V N 2.914 122.250 119.914 -0.964 0.000 2.481 144 V HA 0.473 4.594 4.120 0.001 0.000 0.286 144 V C -0.748 174.624 176.094 -1.203 0.000 1.042 144 V CA -0.185 61.537 62.300 -0.963 0.000 0.928 144 V CB 0.123 31.483 31.823 -0.772 0.000 0.986 144 V HN 0.517 nan 8.190 nan 0.000 0.462 145 F N 2.159 121.739 119.950 -0.617 0.000 2.726 145 F HA 0.660 5.188 4.527 0.001 0.000 0.324 145 F C -0.038 175.582 175.800 -0.300 0.000 1.140 145 F CA -0.765 56.955 58.000 -0.467 0.000 0.964 145 F CB 1.370 40.057 39.000 -0.522 0.000 1.399 145 F HN 0.539 nan 8.300 nan 0.000 0.491 146 C N 2.513 121.937 119.300 0.207 0.000 2.417 146 C HA 0.827 5.288 4.460 0.001 0.000 0.324 146 C C -0.046 175.187 174.990 0.404 0.000 1.240 146 C CA -0.675 58.514 59.018 0.286 0.000 1.632 146 C CB 0.162 28.001 27.740 0.165 0.000 2.241 146 C HN 0.775 nan 8.230 nan 0.000 0.499 147 V N 4.733 124.874 119.914 0.378 0.000 3.287 147 V HA 0.439 4.560 4.120 0.001 0.000 0.306 147 V C 0.053 176.211 176.094 0.106 0.000 1.103 147 V CA 0.562 62.973 62.300 0.184 0.000 1.159 147 V CB 0.233 32.069 31.823 0.023 0.000 1.036 147 V HN 1.564 nan 8.190 nan 0.000 0.487 155 K N 3.560 123.999 120.400 0.065 0.000 2.201 155 K HA 0.393 4.714 4.320 0.001 0.000 0.278 155 K C -1.971 174.650 176.600 0.034 0.000 1.027 155 K CA -1.619 54.641 56.287 -0.045 0.000 0.909 155 K CB 1.010 33.317 32.500 -0.322 0.000 1.062 155 K HN 0.252 nan 8.250 nan 0.000 0.465 156 P HA 0.033 nan 4.420 nan 0.000 0.275 156 P C -0.737 176.588 177.300 0.042 0.000 1.228 156 P CA -0.443 62.673 63.100 0.026 0.000 0.786 156 P CB 0.829 32.528 31.700 -0.002 0.000 0.927 157 A N 4.019 126.877 122.820 0.063 0.000 2.561 157 A HA 0.003 4.324 4.320 0.001 0.000 0.234 157 A C 0.626 178.248 177.584 0.062 0.000 1.055 157 A CA 0.175 52.259 52.037 0.077 0.000 0.756 157 A CB -0.420 18.617 19.000 0.061 0.000 0.986 157 A HN 0.499 nan 8.150 nan 0.000 0.505 158 R N 0.579 121.132 120.500 0.089 0.000 2.539 158 R HA 0.461 4.802 4.340 0.001 0.000 0.275 158 R C -0.661 175.690 176.300 0.084 0.000 1.077 158 R CA -0.220 55.934 56.100 0.090 0.000 1.097 158 R CB 0.505 30.875 30.300 0.117 0.000 1.018 158 R HN 0.669 nan 8.270 nan 0.000 0.483 159 L N 3.231 124.506 121.223 0.087 0.000 2.309 159 L HA 0.469 4.810 4.340 0.001 0.000 0.282 159 L C -0.450 176.505 176.870 0.141 0.000 1.036 159 L CA -0.878 54.018 54.840 0.093 0.000 0.806 159 L CB 1.357 43.450 42.059 0.056 0.000 1.220 159 L HN 0.444 nan 8.230 nan 0.000 0.429 160 I N 3.174 123.848 120.570 0.173 0.000 2.474 160 I HA 0.528 4.699 4.170 0.001 0.000 0.294 160 I C -0.798 175.501 176.117 0.303 0.000 1.005 160 I CA -0.396 61.047 61.300 0.239 0.000 1.113 160 I CB 1.976 40.117 38.000 0.236 0.000 1.289 160 I HN 0.190 nan 8.210 nan 0.000 0.436 161 V N 8.592 128.687 119.914 0.301 0.000 2.531 161 V HA 0.623 4.744 4.120 0.001 0.000 0.301 161 V C -0.975 175.280 176.094 0.269 0.000 1.034 161 V CA -0.492 61.922 62.300 0.190 0.000 0.865 161 V CB 1.303 33.217 31.823 0.151 0.000 0.995 161 V HN 0.596 nan 8.190 nan 0.000 0.424 162 F N 4.787 124.782 119.950 0.074 0.000 2.628 162 F HA 0.888 5.416 4.527 0.001 0.000 0.309 162 F C -3.073 172.762 175.800 0.059 0.000 1.108 162 F CA -2.472 55.572 58.000 0.073 0.000 0.971 162 F CB 1.540 40.580 39.000 0.066 0.000 1.279 162 F HN 0.310 nan 8.300 nan 0.000 0.441 163 P HA 0.152 nan 4.420 nan 0.000 0.279 163 P C -0.955 176.465 177.300 0.200 0.000 1.282 163 P CA -0.055 63.113 63.100 0.114 0.000 0.788 163 P CB 1.019 32.794 31.700 0.123 0.000 1.139 164 D N -1.102 119.394 120.400 0.159 0.000 2.357 164 D HA -0.012 4.629 4.640 0.001 0.000 0.242 164 D C 1.374 177.798 176.300 0.207 0.000 1.153 164 D CA -0.398 53.712 54.000 0.183 0.000 0.918 164 D CB 0.297 41.232 40.800 0.226 0.000 1.181 164 D HN 0.095 nan 8.370 nan 0.000 0.435 165 L N 3.126 124.446 121.223 0.161 0.000 2.051 165 L HA -0.036 4.305 4.340 0.001 0.000 0.214 165 L C 2.023 179.029 176.870 0.227 0.000 1.076 165 L CA 2.616 57.546 54.840 0.150 0.000 0.758 165 L CB -1.131 40.969 42.059 0.067 0.000 0.890 165 L HN 0.666 nan 8.230 nan 0.000 0.433 166 G N -1.370 107.630 108.800 0.334 0.000 2.422 166 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 166 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 166 G C 1.503 176.538 174.900 0.227 0.000 1.146 166 G CA 1.027 46.354 45.100 0.379 0.000 0.769 166 G HN 0.376 nan 8.290 nan 0.000 0.547 167 V N 0.854 120.894 119.914 0.210 0.000 2.307 167 V HA -0.159 3.962 4.120 0.001 0.000 0.245 167 V C 2.889 179.077 176.094 0.157 0.000 1.045 167 V CA 1.863 64.257 62.300 0.157 0.000 1.024 167 V CB -0.489 31.414 31.823 0.133 0.000 0.651 167 V HN 0.328 nan 8.190 nan 0.000 0.449 168 R N -0.104 120.492 120.500 0.161 0.000 2.127 168 R HA -0.118 4.222 4.340 0.001 0.000 0.238 168 R C 2.188 178.556 176.300 0.114 0.000 1.134 168 R CA 1.431 57.617 56.100 0.143 0.000 0.975 168 R CB -0.620 29.757 30.300 0.127 0.000 0.865 168 R HN 0.444 nan 8.270 nan 0.000 0.447 169 V N 0.217 120.194 119.914 0.104 0.000 2.453 169 V HA -0.245 3.876 4.120 0.001 0.000 0.247 169 V C 2.460 178.593 176.094 0.065 0.000 1.048 169 V CA 1.349 63.681 62.300 0.053 0.000 1.049 169 V CB -0.420 31.424 31.823 0.035 0.000 0.672 169 V HN 0.425 nan 8.190 nan 0.000 0.457 170 C N 0.004 119.388 119.300 0.141 0.000 2.425 170 C HA -0.128 4.333 4.460 0.001 0.000 0.277 170 C C 2.684 177.857 174.990 0.305 0.000 1.280 170 C CA 0.869 60.051 59.018 0.274 0.000 1.744 170 C CB -0.909 27.050 27.740 0.365 0.000 1.989 170 C HN 0.619 nan 8.230 nan 0.000 0.491 171 E N 0.814 121.147 120.200 0.222 0.000 2.058 171 E HA -0.230 4.121 4.350 0.001 0.000 0.194 171 E C 2.169 178.896 176.600 0.211 0.000 0.997 171 E CA 1.255 57.794 56.400 0.232 0.000 0.801 171 E CB -0.144 29.697 29.700 0.236 0.000 0.746 171 E HN 0.637 nan 8.360 nan 0.000 0.450 172 K N 0.395 120.887 120.400 0.153 0.000 2.002 172 K HA -0.124 4.197 4.320 0.001 0.000 0.209 172 K C 2.240 178.910 176.600 0.118 0.000 1.048 172 K CA 1.439 57.802 56.287 0.128 0.000 0.930 172 K CB -0.179 32.314 32.500 -0.011 0.000 0.714 172 K HN 0.113 nan 8.250 nan 0.000 0.438 173 M N 0.304 119.930 119.600 0.044 0.000 2.106 173 M HA -0.220 4.261 4.480 0.001 0.000 0.259 173 M C 2.341 178.695 176.300 0.090 0.000 1.068 173 M CA 1.851 57.124 55.300 -0.044 0.000 1.100 173 M CB -0.316 32.096 32.600 -0.315 0.000 1.351 173 M HN 0.267 nan 8.290 nan 0.000 0.404 174 A N -1.011 121.962 122.820 0.254 0.000 1.984 174 A HA 0.131 4.452 4.320 0.001 0.000 0.214 174 A C 1.773 179.463 177.584 0.176 0.000 1.173 174 A CA 0.879 53.113 52.037 0.327 0.000 0.673 174 A CB 0.036 19.284 19.000 0.415 0.000 0.830 174 A HN 0.493 nan 8.150 nan 0.000 0.453 175 L N -3.331 117.981 121.223 0.147 0.000 3.128 175 L HA 0.187 4.528 4.340 0.001 0.000 0.277 175 L C 1.793 178.691 176.870 0.046 0.000 1.171 175 L CA 0.060 54.924 54.840 0.040 0.000 1.008 175 L CB 0.072 42.131 42.059 0.000 0.000 1.442 175 L HN 0.415 nan 8.230 nan 0.000 0.584 176 Y N 1.566 121.882 120.300 0.027 0.000 2.151 176 Y HA -0.342 4.209 4.550 0.001 0.000 0.284 176 Y C 2.188 178.117 175.900 0.049 0.000 1.166 176 Y CA 2.302 60.432 58.100 0.050 0.000 1.163 176 Y CB 0.069 38.550 38.460 0.035 0.000 0.974 176 Y HN 0.223 nan 8.280 nan 0.000 0.511 177 D N -0.844 119.560 120.400 0.007 0.000 2.149 177 D HA -0.137 4.504 4.640 0.001 0.000 0.201 177 D C 2.224 178.449 176.300 -0.125 0.000 0.972 177 D CA 1.245 55.204 54.000 -0.069 0.000 0.835 177 D CB -0.165 40.655 40.800 0.033 0.000 0.966 177 D HN 0.271 nan 8.370 nan 0.000 0.476 178 V N 0.682 120.526 119.914 -0.116 0.000 2.261 178 V HA -0.211 3.910 4.120 0.001 0.000 0.246 178 V C 2.667 178.635 176.094 -0.209 0.000 1.047 178 V CA 1.825 64.029 62.300 -0.160 0.000 1.015 178 V CB -0.641 31.044 31.823 -0.230 0.000 0.642 178 V HN 0.319 nan 8.190 nan 0.000 0.446 179 V N -2.729 117.041 119.914 -0.239 0.000 3.305 179 V HA -0.026 4.094 4.120 0.001 0.000 0.269 179 V C 1.846 177.787 176.094 -0.255 0.000 1.157 179 V CA 1.904 64.065 62.300 -0.231 0.000 1.157 179 V CB -0.190 31.526 31.823 -0.179 0.000 0.772 179 V HN 0.437 nan 8.190 nan 0.000 0.498 180 S N 0.682 116.220 115.700 -0.269 0.000 2.503 180 S HA 0.050 4.521 4.470 0.001 0.000 0.215 180 S C 1.768 176.269 174.600 -0.164 0.000 1.003 180 S CA 1.043 59.103 58.200 -0.233 0.000 0.910 180 S CB 0.321 63.310 63.200 -0.351 0.000 0.790 180 S HN 0.942 nan 8.310 nan 0.000 0.514 181 T N -1.669 112.781 114.554 -0.173 0.000 2.980 181 T HA 0.290 4.641 4.350 0.001 0.000 0.252 181 T C 1.483 176.083 174.700 -0.167 0.000 0.962 181 T CA -0.304 61.713 62.100 -0.137 0.000 0.932 181 T CB -0.327 68.486 68.868 -0.091 0.000 1.188 181 T HN 0.161 nan 8.240 nan 0.000 0.500 182 L N 2.092 123.210 121.223 -0.176 0.000 2.044 182 L HA 0.231 4.572 4.340 0.001 0.000 0.205 182 L C -1.023 175.698 176.870 -0.248 0.000 1.075 182 L CA 1.701 56.448 54.840 -0.155 0.000 0.747 182 L CB -1.379 40.631 42.059 -0.081 0.000 0.903 182 L HN 0.123 nan 8.230 nan 0.000 0.435 183 P HA -0.201 nan 4.420 nan 0.000 0.215 183 P C 1.627 178.506 177.300 -0.701 0.000 1.153 183 P CA 1.247 63.971 63.100 -0.627 0.000 0.853 183 P CB -0.141 30.943 31.700 -1.025 0.000 0.788 184 Q N -0.167 119.228 119.800 -0.675 0.000 2.170 184 Q HA -0.099 4.242 4.340 0.001 0.000 0.203 184 Q C 1.966 177.828 176.000 -0.230 0.000 0.976 184 Q CA 1.342 56.924 55.803 -0.369 0.000 0.858 184 Q CB -0.575 28.057 28.738 -0.176 0.000 0.907 184 Q HN 0.096 nan 8.270 nan 0.000 0.433 185 V N -0.157 119.633 119.914 -0.207 0.000 2.379 185 V HA -0.183 3.938 4.120 0.001 0.000 0.245 185 V C 2.393 178.405 176.094 -0.137 0.000 1.044 185 V CA 1.197 63.415 62.300 -0.137 0.000 1.036 185 V CB -0.289 31.471 31.823 -0.104 0.000 0.664 185 V HN 0.116 nan 8.190 nan 0.000 0.453 186 V N -0.777 119.029 119.914 -0.181 0.000 2.667 186 V HA -0.123 3.997 4.120 0.001 0.000 0.252 186 V C 1.922 177.877 176.094 -0.231 0.000 1.065 186 V CA 1.855 64.057 62.300 -0.164 0.000 1.083 186 V CB -0.349 31.376 31.823 -0.163 0.000 0.692 186 V HN 0.489 nan 8.190 nan 0.000 0.468 187 M N -1.427 117.970 119.600 -0.338 0.000 2.313 187 M HA 0.375 4.855 4.480 0.001 0.000 0.273 187 M C 1.456 177.624 176.300 -0.219 0.000 1.049 187 M CA 0.654 55.664 55.300 -0.484 0.000 1.004 187 M CB 0.753 32.942 32.600 -0.684 0.000 1.461 187 M HN 0.401 nan 8.290 nan 0.000 0.514 188 G N 1.803 110.515 108.800 -0.147 0.000 2.652 188 G HA2 -0.402 3.559 3.960 0.001 0.000 0.318 188 G HA3 -0.402 3.559 3.960 0.001 0.000 0.318 188 G C 0.808 175.647 174.900 -0.103 0.000 1.295 188 G CA 0.957 46.004 45.100 -0.088 0.000 0.999 188 G HN 0.564 nan 8.290 nan 0.000 0.548 189 S N -0.612 115.037 115.700 -0.086 0.000 2.603 189 S HA 0.171 4.642 4.470 0.001 0.000 0.229 189 S C 2.144 176.619 174.600 -0.209 0.000 0.972 189 S CA 1.631 59.704 58.200 -0.212 0.000 0.935 189 S CB 0.066 63.131 63.200 -0.226 0.000 0.769 189 S HN 0.864 nan 8.310 nan 0.000 0.536 190 S N 0.380 116.059 115.700 -0.035 0.000 2.453 190 S HA 0.098 4.569 4.470 0.001 0.000 0.231 190 S C 0.260 174.857 174.600 -0.004 0.000 1.005 190 S CA -0.016 58.214 58.200 0.051 0.000 0.949 190 S CB -0.422 62.855 63.200 0.129 0.000 0.774 190 S HN 0.727 nan 8.310 nan 0.000 0.510 191 Y N 3.011 123.171 120.300 -0.233 0.000 2.531 191 Y HA 0.431 4.981 4.550 0.001 0.000 0.347 191 Y C 1.249 176.972 175.900 -0.295 0.000 1.024 191 Y CA -1.359 56.583 58.100 -0.263 0.000 1.306 191 Y CB 0.050 38.352 38.460 -0.264 0.000 1.149 191 Y HN 0.052 nan 8.280 nan 0.000 0.527 192 G N 4.435 112.838 108.800 -0.661 0.000 2.448 192 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 192 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 192 G C 0.988 175.429 174.900 -0.765 0.000 1.135 192 G CA 0.194 44.943 45.100 -0.584 0.000 0.784 192 G HN 0.633 nan 8.290 nan 0.000 0.543 193 F N 1.232 120.542 119.950 -1.066 0.000 2.748 193 F HA 0.075 4.603 4.527 0.001 0.000 0.299 193 F C 2.773 178.362 175.800 -0.351 0.000 1.154 193 F CA 0.668 58.145 58.000 -0.871 0.000 1.446 193 F CB -0.047 38.370 39.000 -0.970 0.000 1.112 193 F HN 0.350 nan 8.300 nan 0.000 0.584 194 Q N -0.669 118.897 119.800 -0.390 0.000 2.472 194 Q HA -0.090 4.250 4.340 0.001 0.000 0.208 194 Q C -0.602 175.281 176.000 -0.195 0.000 0.958 194 Q CA 0.817 56.487 55.803 -0.222 0.000 0.932 194 Q CB -0.344 28.164 28.738 -0.383 0.000 1.007 194 Q HN 0.296 nan 8.270 nan 0.000 0.508 195 Y N 1.790 122.134 120.300 0.072 0.000 2.342 195 Y HA 0.300 4.851 4.550 0.001 0.000 0.334 195 Y C 0.565 176.386 175.900 -0.131 0.000 1.067 195 Y CA -1.266 56.822 58.100 -0.019 0.000 1.128 195 Y CB 1.489 39.889 38.460 -0.099 0.000 1.200 195 Y HN 0.097 nan 8.280 nan 0.000 0.464 196 S N 2.728 118.212 115.700 -0.360 0.000 2.600 196 S HA 0.197 4.668 4.470 0.001 0.000 0.265 196 S C -1.982 172.301 174.600 -0.527 0.000 1.325 196 S CA -0.991 56.519 58.200 -1.150 0.000 1.002 196 S CB 1.176 63.786 63.200 -0.983 0.000 0.921 196 S HN 0.436 nan 8.310 nan 0.000 0.554 197 P HA -0.025 nan 4.420 nan 0.000 0.216 197 P C 1.740 178.932 177.300 -0.180 0.000 1.153 197 P CA 1.800 64.751 63.100 -0.249 0.000 0.858 197 P CB -0.550 31.042 31.700 -0.180 0.000 0.789 198 G N -0.283 108.361 108.800 -0.260 0.000 2.418 198 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 198 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 198 G C 1.517 176.345 174.900 -0.120 0.000 1.158 198 G CA 0.688 45.701 45.100 -0.146 0.000 0.771 198 G HN 0.319 nan 8.290 nan 0.000 0.545 199 Q N -0.495 119.221 119.800 -0.141 0.000 2.119 199 Q HA 0.001 4.342 4.340 0.001 0.000 0.201 199 Q C 2.579 178.412 176.000 -0.278 0.000 0.972 199 Q CA 0.947 56.694 55.803 -0.094 0.000 0.847 199 Q CB -0.139 28.648 28.738 0.082 0.000 0.903 199 Q HN 0.473 nan 8.270 nan 0.000 0.433 200 R N 0.456 120.800 120.500 -0.261 0.000 2.073 200 R HA -0.137 4.204 4.340 0.001 0.000 0.234 200 R C 2.079 178.252 176.300 -0.211 0.000 1.134 200 R CA 1.255 57.157 56.100 -0.330 0.000 0.952 200 R CB -0.150 30.073 30.300 -0.129 0.000 0.850 200 R HN 0.097 nan 8.270 nan 0.000 0.433 201 V N 1.380 121.211 119.914 -0.138 0.000 2.295 201 V HA -0.244 3.877 4.120 0.001 0.000 0.246 201 V C 2.384 178.398 176.094 -0.133 0.000 1.049 201 V CA 2.260 64.493 62.300 -0.111 0.000 1.024 201 V CB -0.597 31.204 31.823 -0.037 0.000 0.648 201 V HN 0.500 nan 8.190 nan 0.000 0.447 202 E N -0.482 119.658 120.200 -0.101 0.000 2.085 202 E HA -0.278 4.073 4.350 0.001 0.000 0.194 202 E C 2.130 178.680 176.600 -0.083 0.000 0.994 202 E CA 1.737 58.091 56.400 -0.077 0.000 0.801 202 E CB -0.204 29.477 29.700 -0.033 0.000 0.743 202 E HN 0.548 nan 8.360 nan 0.000 0.453 203 F N 1.158 120.936 119.950 -0.287 0.000 2.146 203 F HA -0.122 4.406 4.527 0.001 0.000 0.298 203 F C 1.906 177.581 175.800 -0.207 0.000 1.096 203 F CA 1.230 59.060 58.000 -0.284 0.000 1.275 203 F CB -0.221 38.457 39.000 -0.537 0.000 1.008 203 F HN -0.003 nan 8.300 nan 0.000 0.480 204 L N -0.833 120.222 121.223 -0.280 0.000 2.027 204 L HA -0.211 4.129 4.340 0.001 0.000 0.206 204 L C 2.396 179.104 176.870 -0.269 0.000 1.074 204 L CA 1.100 55.757 54.840 -0.305 0.000 0.745 204 L CB -0.927 41.013 42.059 -0.199 0.000 0.898 204 L HN -0.026 nan 8.230 nan 0.000 0.433 205 V N 0.094 119.836 119.914 -0.286 0.000 2.295 205 V HA -0.282 3.839 4.120 0.001 0.000 0.246 205 V C 2.221 178.194 176.094 -0.202 0.000 1.049 205 V CA 1.940 64.037 62.300 -0.338 0.000 1.024 205 V CB -0.696 30.803 31.823 -0.540 0.000 0.648 205 V HN 0.478 nan 8.190 nan 0.000 0.447 206 N N -0.025 118.559 118.700 -0.194 0.000 2.188 206 N HA -0.121 4.620 4.740 0.001 0.000 0.184 206 N C 1.904 177.311 175.510 -0.172 0.000 1.018 206 N CA 1.797 54.762 53.050 -0.141 0.000 0.858 206 N CB -0.540 37.887 38.487 -0.100 0.000 0.989 206 N HN 0.472 nan 8.380 nan 0.000 0.426 207 T N 0.305 114.675 114.554 -0.307 0.000 2.788 207 T HA -0.134 4.216 4.350 0.001 0.000 0.268 207 T C 1.487 176.089 174.700 -0.163 0.000 1.044 207 T CA 0.586 62.487 62.100 -0.332 0.000 1.139 207 T CB -0.143 68.374 68.868 -0.585 0.000 0.867 207 T HN 0.433 nan 8.240 nan 0.000 0.454 208 W N 2.058 123.195 121.300 -0.272 0.000 2.381 208 W HA -0.030 4.631 4.660 0.002 0.000 0.301 208 W C 1.806 178.237 176.519 -0.147 0.000 1.205 208 W CA 1.031 58.257 57.345 -0.198 0.000 1.285 208 W CB -0.168 29.169 29.460 -0.205 0.000 1.133 208 W HN 0.204 nan 8.180 nan 0.000 0.521 209 K N 0.349 120.773 120.400 0.040 0.000 2.365 209 K HA -0.112 4.209 4.320 0.001 0.000 0.199 209 K C 2.226 178.780 176.600 -0.077 0.000 1.045 209 K CA 1.433 57.717 56.287 -0.006 0.000 0.962 209 K CB -0.099 32.411 32.500 0.016 0.000 0.759 209 K HN 0.043 nan 8.250 nan 0.000 0.469 210 S N 0.229 115.864 115.700 -0.108 0.000 2.489 210 S HA 0.028 4.499 4.470 0.001 0.000 0.228 210 S C 0.476 174.999 174.600 -0.128 0.000 0.995 210 S CA 0.173 58.311 58.200 -0.102 0.000 0.934 210 S CB 0.073 63.213 63.200 -0.100 0.000 0.771 210 S HN -0.064 nan 8.310 nan 0.000 0.522 211 K N 1.667 121.949 120.400 -0.197 0.000 2.218 211 K HA 0.339 4.660 4.320 0.001 0.000 0.276 211 K C 0.463 176.952 176.600 -0.186 0.000 1.022 211 K CA -0.297 55.860 56.287 -0.216 0.000 0.946 211 K CB 1.037 33.336 32.500 -0.335 0.000 1.000 211 K HN 0.018 nan 8.250 nan 0.000 0.468 212 K N 0.992 121.311 120.400 -0.135 0.000 2.057 212 K HA -0.143 4.178 4.320 0.001 0.000 0.207 212 K C 0.760 177.289 176.600 -0.118 0.000 1.049 212 K CA 1.338 57.564 56.287 -0.102 0.000 0.931 212 K CB 0.032 32.488 32.500 -0.072 0.000 0.714 212 K HN 0.638 nan 8.250 nan 0.000 0.440 213 N N 0.163 118.774 118.700 -0.147 0.000 2.710 213 N HA 0.154 4.895 4.740 0.001 0.000 0.244 213 N C -2.941 172.453 175.510 -0.192 0.000 1.321 213 N CA -1.415 51.556 53.050 -0.132 0.000 0.758 213 N CB 1.037 39.479 38.487 -0.074 0.000 1.284 213 N HN -0.146 nan 8.380 nan 0.000 0.530 214 P HA 0.134 nan 4.420 nan 0.000 0.276 214 P C -0.796 176.222 177.300 -0.471 0.000 1.230 214 P CA -0.269 62.394 63.100 -0.727 0.000 0.776 214 P CB 1.263 31.926 31.700 -1.729 0.000 0.888 215 M N 2.516 121.905 119.600 -0.352 0.000 2.530 215 M HA 0.700 5.180 4.480 0.001 0.000 0.307 215 M C -0.844 175.379 176.300 -0.128 0.000 1.161 215 M CA -0.378 54.788 55.300 -0.223 0.000 0.903 215 M CB 2.491 35.020 32.600 -0.119 0.000 1.711 215 M HN 0.575 nan 8.290 nan 0.000 0.451 216 G N 3.130 111.966 108.800 0.060 0.000 2.690 216 G HA2 0.829 4.789 3.960 0.001 0.000 0.291 216 G HA3 0.829 4.789 3.960 0.001 0.000 0.291 216 G C -2.024 172.969 174.900 0.155 0.000 1.403 216 G CA -0.642 44.532 45.100 0.123 0.000 0.864 216 G HN 0.830 nan 8.290 nan 0.000 0.480 217 F N -0.704 119.213 119.950 -0.054 0.000 2.703 217 F HA 0.764 5.291 4.527 0.001 0.000 0.308 217 F C -0.267 175.520 175.800 -0.022 0.000 1.126 217 F CA -1.321 56.644 58.000 -0.058 0.000 0.959 217 F CB 1.152 40.098 39.000 -0.091 0.000 1.297 217 F HN 0.684 nan 8.300 nan 0.000 0.441 218 S N 1.107 116.892 115.700 0.142 0.000 2.617 218 S HA 0.652 5.123 4.470 0.001 0.000 0.283 218 S C -1.494 173.313 174.600 0.345 0.000 1.189 218 S CA -0.564 57.705 58.200 0.114 0.000 1.036 218 S CB 1.679 64.920 63.200 0.068 0.000 1.014 218 S HN 0.857 nan 8.310 nan 0.000 0.522 219 Y N 1.114 121.534 120.300 0.201 0.000 2.350 219 Y HA 0.462 5.013 4.550 0.002 0.000 0.338 219 Y C -1.120 174.904 175.900 0.206 0.000 0.961 219 Y CA -0.786 57.489 58.100 0.292 0.000 1.100 219 Y CB 1.644 40.374 38.460 0.451 0.000 1.179 219 Y HN 0.878 nan 8.280 nan 0.000 0.454 220 D N 4.358 124.579 120.400 -0.298 0.000 2.460 220 D HA 0.227 4.868 4.640 0.001 0.000 0.232 220 D C -0.952 175.238 176.300 -0.184 0.000 1.079 220 D CA -0.193 53.729 54.000 -0.129 0.000 0.864 220 D CB 0.947 41.695 40.800 -0.088 0.000 1.048 220 D HN 0.440 nan 8.370 nan 0.000 0.523 221 T N 3.625 118.252 114.554 0.121 0.000 2.851 221 T HA 0.097 4.448 4.350 0.001 0.000 0.298 221 T C 0.439 175.249 174.700 0.184 0.000 0.977 221 T CA -0.405 61.844 62.100 0.249 0.000 1.126 221 T CB 0.605 69.811 68.868 0.563 0.000 0.916 221 T HN 0.305 nan 8.240 nan 0.000 0.529 222 R N 2.697 123.261 120.500 0.106 0.000 2.404 222 R HA 0.058 4.399 4.340 0.001 0.000 0.315 222 R C 0.158 176.572 176.300 0.190 0.000 1.032 222 R CA -0.210 55.945 56.100 0.092 0.000 0.992 222 R CB -0.617 29.681 30.300 -0.004 0.000 0.959 222 R HN 0.923 nan 8.270 nan 0.000 0.428 223 C N 6.596 126.035 119.300 0.231 0.000 2.527 223 C HA -0.193 4.268 4.460 0.001 0.000 0.230 223 C C 1.221 176.430 174.990 0.365 0.000 1.222 223 C CA 0.177 59.380 59.018 0.308 0.000 2.667 223 C CB -2.251 25.713 27.740 0.373 0.000 1.625 223 C HN 1.032 nan 8.230 nan 0.000 0.361 224 F N 2.008 122.082 119.950 0.205 0.000 2.161 224 F HA -0.047 4.481 4.527 0.001 0.000 0.300 224 F C 1.785 177.700 175.800 0.192 0.000 1.089 224 F CA 2.336 60.456 58.000 0.201 0.000 1.282 224 F CB -0.049 39.057 39.000 0.177 0.000 1.010 224 F HN 0.595 nan 8.300 nan 0.000 0.485 225 D N -0.516 120.124 120.400 0.400 0.000 2.178 225 D HA -0.147 4.494 4.640 0.001 0.000 0.201 225 D C 2.403 178.777 176.300 0.123 0.000 0.980 225 D CA 1.489 55.654 54.000 0.274 0.000 0.842 225 D CB -0.345 40.617 40.800 0.269 0.000 0.948 225 D HN 0.230 nan 8.370 nan 0.000 0.472 226 S N -0.634 115.148 115.700 0.138 0.000 2.461 226 S HA -0.080 4.391 4.470 0.001 0.000 0.228 226 S C 1.989 176.589 174.600 -0.001 0.000 1.005 226 S CA 1.198 59.384 58.200 -0.023 0.000 0.942 226 S CB -0.071 63.026 63.200 -0.171 0.000 0.776 226 S HN 0.500 nan 8.310 nan 0.000 0.514 227 T N -0.468 114.150 114.554 0.106 0.000 3.088 227 T HA 0.147 4.497 4.350 0.001 0.000 0.259 227 T C 0.563 175.200 174.700 -0.104 0.000 1.122 227 T CA 0.024 62.164 62.100 0.067 0.000 1.095 227 T CB -0.337 68.520 68.868 -0.019 0.000 0.930 227 T HN 0.012 nan 8.240 nan 0.000 0.508 228 V N 3.922 123.743 119.914 -0.155 0.000 2.470 228 V HA 0.346 4.467 4.120 0.001 0.000 0.276 228 V C 1.083 177.139 176.094 -0.063 0.000 1.040 228 V CA -0.345 61.884 62.300 -0.119 0.000 1.008 228 V CB 0.441 32.231 31.823 -0.055 0.000 0.990 228 V HN 0.719 nan 8.190 nan 0.000 0.477 229 T N 1.052 115.581 114.554 -0.042 0.000 2.927 229 T HA 0.363 4.714 4.350 0.001 0.000 0.281 229 T C 0.946 175.634 174.700 -0.020 0.000 0.998 229 T CA -0.651 61.428 62.100 -0.034 0.000 1.019 229 T CB 1.386 70.238 68.868 -0.026 0.000 1.061 229 T HN 0.637 nan 8.240 nan 0.000 0.518 230 E N 0.469 120.657 120.200 -0.020 0.000 2.118 230 E HA -0.184 4.167 4.350 0.001 0.000 0.195 230 E C 2.025 178.627 176.600 0.004 0.000 0.992 230 E CA 0.884 57.282 56.400 -0.003 0.000 0.804 230 E CB -0.113 29.584 29.700 -0.005 0.000 0.741 230 E HN 0.513 nan 8.360 nan 0.000 0.458 231 N N 1.048 119.745 118.700 -0.006 0.000 2.120 231 N HA -0.154 4.587 4.740 0.001 0.000 0.188 231 N C 1.338 176.854 175.510 0.011 0.000 1.024 231 N CA 1.122 54.170 53.050 -0.003 0.000 0.852 231 N CB -0.222 38.253 38.487 -0.020 0.000 1.003 231 N HN 0.143 nan 8.380 nan 0.000 0.424 232 D N 0.794 121.201 120.400 0.013 0.000 2.116 232 D HA -0.111 4.530 4.640 0.001 0.000 0.193 232 D C 2.055 178.367 176.300 0.019 0.000 0.998 232 D CA 0.733 54.753 54.000 0.033 0.000 0.836 232 D CB -0.274 40.541 40.800 0.025 0.000 0.951 232 D HN 0.348 nan 8.370 nan 0.000 0.449 233 I N 0.433 121.015 120.570 0.020 0.000 2.394 233 I HA -0.169 4.002 4.170 0.001 0.000 0.251 233 I C 2.435 178.559 176.117 0.011 0.000 1.136 233 I CA 0.739 62.054 61.300 0.026 0.000 1.425 233 I CB -0.073 37.967 38.000 0.066 0.000 1.079 233 I HN -0.082 nan 8.210 nan 0.000 0.425 234 R N 0.162 120.669 120.500 0.012 0.000 2.090 234 R HA -0.054 4.287 4.340 0.001 0.000 0.228 234 R C 2.351 178.632 176.300 -0.032 0.000 1.110 234 R CA 0.897 56.999 56.100 0.004 0.000 0.973 234 R CB -0.345 29.962 30.300 0.012 0.000 0.869 234 R HN 0.203 nan 8.270 nan 0.000 0.440 235 V N 1.716 121.615 119.914 -0.024 0.000 2.332 235 V HA -0.270 3.851 4.120 0.001 0.000 0.248 235 V C 1.983 177.992 176.094 -0.142 0.000 1.055 235 V CA 1.902 64.178 62.300 -0.040 0.000 1.038 235 V CB -0.447 31.392 31.823 0.026 0.000 0.651 235 V HN 0.366 nan 8.190 nan 0.000 0.450 236 E N -0.328 119.754 120.200 -0.197 0.000 2.058 236 E HA -0.277 4.074 4.350 0.001 0.000 0.194 236 E C 2.348 178.449 176.600 -0.832 0.000 0.997 236 E CA 1.469 57.590 56.400 -0.466 0.000 0.801 236 E CB -0.211 29.262 29.700 -0.377 0.000 0.746 236 E HN 0.640 nan 8.360 nan 0.000 0.450 237 E N 0.664 120.606 120.200 -0.430 0.000 2.077 237 E HA -0.204 4.147 4.350 0.001 0.000 0.193 237 E C 2.176 178.700 176.600 -0.126 0.000 0.989 237 E CA 1.497 57.778 56.400 -0.198 0.000 0.800 237 E CB 0.003 29.732 29.700 0.048 0.000 0.746 237 E HN 0.224 nan 8.360 nan 0.000 0.452 238 S N 0.386 116.016 115.700 -0.117 0.000 2.382 238 S HA -0.133 4.338 4.470 0.001 0.000 0.228 238 S C 2.099 176.661 174.600 -0.064 0.000 1.027 238 S CA 0.995 59.162 58.200 -0.055 0.000 0.991 238 S CB -0.531 62.644 63.200 -0.041 0.000 0.823 238 S HN 0.318 nan 8.310 nan 0.000 0.469 239 I N 0.088 120.569 120.570 -0.148 0.000 2.252 239 I HA -0.125 4.046 4.170 0.001 0.000 0.245 239 I C 2.269 178.390 176.117 0.007 0.000 1.102 239 I CA 1.236 62.473 61.300 -0.105 0.000 1.385 239 I CB -0.503 37.400 38.000 -0.163 0.000 1.064 239 I HN 0.241 nan 8.210 nan 0.000 0.414 240 Y N 1.040 121.339 120.300 -0.001 0.000 2.181 240 Y HA -0.216 4.335 4.550 0.001 0.000 0.288 240 Y C 2.666 178.572 175.900 0.010 0.000 1.146 240 Y CA 0.728 58.829 58.100 0.003 0.000 1.164 240 Y CB -0.999 37.474 38.460 0.022 0.000 0.982 240 Y HN 0.245 nan 8.280 nan 0.000 0.515 241 Q N -1.357 118.540 119.800 0.163 0.000 2.369 241 Q HA -0.099 4.242 4.340 0.001 0.000 0.206 241 Q C 2.364 178.402 176.000 0.064 0.000 0.963 241 Q CA 0.772 56.636 55.803 0.102 0.000 0.894 241 Q CB -0.732 28.050 28.738 0.073 0.000 0.965 241 Q HN 0.500 nan 8.270 nan 0.000 0.475 242 C N 0.440 119.771 119.300 0.052 0.000 2.419 242 C HA -0.080 4.381 4.460 0.001 0.000 0.281 242 C C 1.564 176.574 174.990 0.033 0.000 1.336 242 C CA -0.539 58.498 59.018 0.031 0.000 1.770 242 C CB -0.741 27.009 27.740 0.017 0.000 1.929 242 C HN 0.415 nan 8.230 nan 0.000 0.509 243 C N 2.036 121.365 119.300 0.049 0.000 2.679 243 C HA 0.078 4.539 4.460 0.001 0.000 0.417 243 C C 0.562 175.572 174.990 0.033 0.000 1.302 243 C CA -0.242 58.799 59.018 0.037 0.000 1.973 243 C CB -0.437 27.329 27.740 0.044 0.000 2.715 243 C HN 0.509 nan 8.230 nan 0.000 0.628 244 D N 2.450 122.864 120.400 0.023 0.000 2.342 244 D HA 0.367 5.008 4.640 0.001 0.000 0.260 244 D C -0.426 175.891 176.300 0.029 0.000 1.278 244 D CA 0.545 54.559 54.000 0.023 0.000 0.910 244 D CB -0.058 40.752 40.800 0.016 0.000 1.079 244 D HN 0.381 nan 8.370 nan 0.000 0.496 245 L N 1.969 123.214 121.223 0.036 0.000 2.333 245 L HA 0.688 5.029 4.340 0.001 0.000 0.263 245 L C 0.326 177.225 176.870 0.048 0.000 1.014 245 L CA -1.536 53.331 54.840 0.046 0.000 0.820 245 L CB 1.773 43.866 42.059 0.057 0.000 1.352 245 L HN 0.306 nan 8.230 nan 0.000 0.421 246 A N 1.347 124.202 122.820 0.059 0.000 2.407 246 A HA 0.399 4.720 4.320 0.001 0.000 0.248 246 A C -1.893 175.732 177.584 0.068 0.000 1.082 246 A CA -0.971 51.104 52.037 0.063 0.000 0.785 246 A CB -0.030 19.016 19.000 0.076 0.000 1.020 246 A HN 0.602 nan 8.150 nan 0.000 0.489 247 P HA -0.159 nan 4.420 nan 0.000 0.216 247 P C 1.227 178.560 177.300 0.055 0.000 1.150 247 P CA 1.510 64.639 63.100 0.048 0.000 0.837 247 P CB 0.245 31.968 31.700 0.038 0.000 0.786 248 E N -0.596 119.658 120.200 0.091 0.000 2.106 248 E HA -0.136 4.215 4.350 0.001 0.000 0.192 248 E C 1.942 178.619 176.600 0.129 0.000 0.984 248 E CA 0.923 57.398 56.400 0.124 0.000 0.806 248 E CB -0.355 29.491 29.700 0.244 0.000 0.750 248 E HN 0.069 nan 8.360 nan 0.000 0.458 249 A N 1.324 124.243 122.820 0.164 0.000 1.898 249 A HA -0.168 4.153 4.320 0.001 0.000 0.216 249 A C 2.090 179.724 177.584 0.082 0.000 1.181 249 A CA 1.240 53.377 52.037 0.168 0.000 0.620 249 A CB -0.391 18.701 19.000 0.153 0.000 0.819 249 A HN 0.146 nan 8.150 nan 0.000 0.442 250 R N -0.960 119.577 120.500 0.062 0.000 2.091 250 R HA -0.207 4.134 4.340 0.001 0.000 0.238 250 R C 2.483 178.789 176.300 0.010 0.000 1.136 250 R CA 1.750 57.877 56.100 0.045 0.000 0.959 250 R CB -0.324 29.999 30.300 0.039 0.000 0.856 250 R HN 0.651 nan 8.270 nan 0.000 0.437 251 Q N 0.797 120.584 119.800 -0.022 0.000 2.079 251 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 251 Q C 1.953 177.869 176.000 -0.140 0.000 0.974 251 Q CA 2.011 57.770 55.803 -0.074 0.000 0.840 251 Q CB -0.216 28.468 28.738 -0.092 0.000 0.898 251 Q HN 0.334 nan 8.270 nan 0.000 0.430 252 A N 0.115 122.808 122.820 -0.211 0.000 1.898 252 A HA -0.091 4.230 4.320 0.001 0.000 0.216 252 A C 2.152 179.649 177.584 -0.146 0.000 1.181 252 A CA 1.368 53.197 52.037 -0.346 0.000 0.620 252 A CB -0.699 17.919 19.000 -0.637 0.000 0.819 252 A HN 0.474 nan 8.150 nan 0.000 0.442 253 I N -0.375 120.182 120.570 -0.022 0.000 2.226 253 I HA -0.272 3.899 4.170 0.001 0.000 0.245 253 I C 2.559 178.721 176.117 0.075 0.000 1.100 253 I CA 1.833 63.181 61.300 0.079 0.000 1.374 253 I CB -0.204 37.875 38.000 0.132 0.000 1.057 253 I HN 0.395 nan 8.210 nan 0.000 0.413 254 K N 0.466 120.883 120.400 0.029 0.000 2.026 254 K HA -0.217 4.104 4.320 0.001 0.000 0.208 254 K C 2.359 178.944 176.600 -0.024 0.000 1.048 254 K CA 1.900 58.198 56.287 0.019 0.000 0.929 254 K CB -0.131 32.369 32.500 -0.000 0.000 0.713 254 K HN 0.116 nan 8.250 nan 0.000 0.439 255 S N 0.697 116.350 115.700 -0.079 0.000 2.368 255 S HA -0.063 4.408 4.470 0.001 0.000 0.225 255 S C 1.959 176.472 174.600 -0.145 0.000 1.030 255 S CA 0.950 59.081 58.200 -0.114 0.000 0.999 255 S CB -0.197 62.905 63.200 -0.164 0.000 0.844 255 S HN 0.342 nan 8.310 nan 0.000 0.459 256 L N 0.669 121.783 121.223 -0.182 0.000 2.083 256 L HA -0.088 4.253 4.340 0.001 0.000 0.209 256 L C 2.687 179.273 176.870 -0.473 0.000 1.083 256 L CA 1.441 56.063 54.840 -0.363 0.000 0.752 256 L CB -0.895 40.939 42.059 -0.374 0.000 0.899 256 L HN 0.339 nan 8.230 nan 0.000 0.433 257 T N -1.102 113.379 114.554 -0.121 0.000 2.737 257 T HA -0.128 4.223 4.350 0.001 0.000 0.265 257 T C 1.774 176.483 174.700 0.016 0.000 1.038 257 T CA 1.043 63.199 62.100 0.093 0.000 1.144 257 T CB -0.053 68.938 68.868 0.205 0.000 0.866 257 T HN 0.269 nan 8.240 nan 0.000 0.434 258 E N 1.155 121.343 120.200 -0.021 0.000 2.107 258 E HA 0.019 4.370 4.350 0.001 0.000 0.191 258 E C 2.288 178.869 176.600 -0.032 0.000 0.982 258 E CA 0.857 57.249 56.400 -0.014 0.000 0.809 258 E CB -0.088 29.600 29.700 -0.019 0.000 0.756 258 E HN 0.458 nan 8.360 nan 0.000 0.459 259 R N -0.540 119.912 120.500 -0.080 0.000 2.237 259 R HA 0.135 4.476 4.340 0.001 0.000 0.195 259 R C 1.777 178.016 176.300 -0.102 0.000 0.956 259 R CA 0.216 56.270 56.100 -0.077 0.000 1.029 259 R CB 0.337 30.584 30.300 -0.088 0.000 0.972 259 R HN 0.034 nan 8.270 nan 0.000 0.493 260 L N -2.199 118.920 121.223 -0.173 0.000 2.691 260 L HA 0.198 4.539 4.340 0.001 0.000 0.185 260 L C 1.191 178.032 176.870 -0.049 0.000 1.081 260 L CA 0.793 55.526 54.840 -0.179 0.000 0.865 260 L CB -0.204 41.654 42.059 -0.335 0.000 1.370 260 L HN -0.132 nan 8.230 nan 0.000 0.488 261 Y N 1.309 121.627 120.300 0.031 0.000 2.293 261 Y HA -0.009 4.542 4.550 0.001 0.000 0.291 261 Y C 2.464 178.375 175.900 0.018 0.000 1.137 261 Y CA 1.404 59.530 58.100 0.043 0.000 1.202 261 Y CB -0.986 37.523 38.460 0.081 0.000 0.990 261 Y HN 0.387 nan 8.280 nan 0.000 0.537 262 I N -2.838 117.818 120.570 0.144 0.000 2.761 262 I HA 0.412 4.583 4.170 0.001 0.000 0.261 262 I C 1.065 177.198 176.117 0.026 0.000 1.198 262 I CA 0.932 62.277 61.300 0.076 0.000 1.482 262 I CB -0.212 37.824 38.000 0.059 0.000 1.100 262 I HN 0.081 nan 8.210 nan 0.000 0.445 263 G N -0.409 108.390 108.800 -0.002 0.000 2.341 263 G HA2 0.472 4.433 3.960 0.001 0.000 0.293 263 G HA3 0.472 4.433 3.960 0.001 0.000 0.293 263 G C -0.822 173.945 174.900 -0.222 0.000 1.298 263 G CA -0.271 44.771 45.100 -0.096 0.000 0.868 263 G HN 0.764 nan 8.290 nan 0.000 0.540 264 G N -1.034 107.350 108.800 -0.694 0.000 2.321 264 G HA2 0.683 4.644 3.960 0.001 0.000 0.298 264 G HA3 0.683 4.644 3.960 0.001 0.000 0.298 264 G C -3.473 170.690 174.900 -1.228 0.000 1.385 264 G CA 0.120 44.709 45.100 -0.851 0.000 0.856 264 G HN 0.822 nan 8.290 nan 0.000 0.584 265 P HA 0.398 nan 4.420 nan 0.000 0.271 265 P C -0.392 176.780 177.300 -0.214 0.000 1.216 265 P CA -0.078 62.832 63.100 -0.317 0.000 0.776 265 P CB 1.038 32.706 31.700 -0.053 0.000 0.881 266 L N 2.896 124.045 121.223 -0.124 0.000 2.272 266 L HA 0.390 4.731 4.340 0.001 0.000 0.289 266 L C 0.619 177.481 176.870 -0.014 0.000 1.032 266 L CA -0.171 54.636 54.840 -0.054 0.000 0.810 266 L CB 1.155 43.230 42.059 0.027 0.000 1.205 266 L HN 0.268 nan 8.230 nan 0.000 0.422 267 T N 2.063 116.587 114.554 -0.049 0.000 2.797 267 T HA 0.297 4.648 4.350 0.001 0.000 0.279 267 T C -0.071 174.603 174.700 -0.042 0.000 0.991 267 T CA -0.807 61.270 62.100 -0.037 0.000 0.979 267 T CB 1.258 70.091 68.868 -0.060 0.000 0.943 267 T HN 0.625 nan 8.240 nan 0.000 0.444 268 N N 1.075 119.770 118.700 -0.008 0.000 2.379 268 N HA 0.139 4.880 4.740 0.001 0.000 0.260 268 N C 1.489 176.989 175.510 -0.016 0.000 1.254 268 N CA -0.447 52.600 53.050 -0.004 0.000 0.958 268 N CB 0.260 38.757 38.487 0.016 0.000 1.208 268 N HN 0.361 nan 8.380 nan 0.000 0.532 269 S N -0.507 115.192 115.700 -0.001 0.000 2.407 269 S HA -0.166 4.305 4.470 0.001 0.000 0.235 269 S C 1.091 175.687 174.600 -0.006 0.000 1.036 269 S CA 1.316 59.519 58.200 0.004 0.000 1.013 269 S CB -0.302 62.912 63.200 0.022 0.000 0.820 269 S HN 0.626 nan 8.310 nan 0.000 0.476 270 K N -0.402 119.995 120.400 -0.004 0.000 2.444 270 K HA 0.222 4.543 4.320 0.001 0.000 0.193 270 K C 1.218 177.811 176.600 -0.012 0.000 1.024 270 K CA 0.494 56.778 56.287 -0.006 0.000 1.077 270 K CB 0.101 32.602 32.500 0.001 0.000 0.833 270 K HN 0.483 nan 8.250 nan 0.000 0.517 271 G N 1.743 110.533 108.800 -0.018 0.000 2.157 271 G HA2 -0.281 3.680 3.960 0.001 0.000 0.239 271 G HA3 -0.281 3.680 3.960 0.001 0.000 0.239 271 G C -0.200 174.695 174.900 -0.008 0.000 0.982 271 G CA -0.139 44.948 45.100 -0.023 0.000 0.650 271 G HN 0.351 nan 8.290 nan 0.000 0.527 272 Q N 0.068 119.869 119.800 0.002 0.000 2.306 272 Q HA 0.345 4.686 4.340 0.001 0.000 0.241 272 Q C 0.412 176.427 176.000 0.024 0.000 0.948 272 Q CA -0.411 55.401 55.803 0.015 0.000 0.886 272 Q CB 0.834 29.585 28.738 0.022 0.000 1.227 272 Q HN 0.409 nan 8.270 nan 0.000 0.457 273 N N 0.968 119.690 118.700 0.036 0.000 2.411 273 N HA 0.044 4.785 4.740 0.001 0.000 0.259 273 N C -0.277 175.283 175.510 0.083 0.000 1.103 273 N CA -0.438 52.642 53.050 0.051 0.000 0.954 273 N CB 0.554 39.073 38.487 0.053 0.000 1.085 273 N HN 0.569 nan 8.380 nan 0.000 0.485 274 C N 2.891 122.257 119.300 0.110 0.000 2.551 274 C HA 0.415 4.876 4.460 0.001 0.000 0.277 274 C C 1.202 176.361 174.990 0.283 0.000 1.349 274 C CA 0.557 59.696 59.018 0.201 0.000 1.750 274 C CB -0.902 26.979 27.740 0.235 0.000 2.058 274 C HN 0.954 nan 8.230 nan 0.000 0.518 275 G N -1.762 107.129 108.800 0.152 0.000 2.351 275 G HA2 0.334 4.295 3.960 0.001 0.000 0.279 275 G HA3 0.334 4.295 3.960 0.001 0.000 0.279 275 G C -2.203 172.701 174.900 0.006 0.000 1.297 275 G CA -0.425 44.711 45.100 0.060 0.000 0.886 275 G HN 0.024 nan 8.290 nan 0.000 0.493 276 Y N 0.505 120.677 120.300 -0.214 0.000 2.512 276 Y HA 0.780 5.330 4.550 0.001 0.000 0.348 276 Y C 0.098 175.844 175.900 -0.257 0.000 0.990 276 Y CA -0.930 57.063 58.100 -0.178 0.000 1.033 276 Y CB 2.068 40.442 38.460 -0.143 0.000 1.259 276 Y HN 0.688 nan 8.280 nan 0.000 0.461 277 R N 4.606 124.860 120.500 -0.410 0.000 2.514 277 R HA 0.561 4.902 4.340 0.001 0.000 0.301 277 R C -0.989 175.141 176.300 -0.284 0.000 0.962 277 R CA -0.679 55.153 56.100 -0.447 0.000 0.882 277 R CB 1.080 31.148 30.300 -0.386 0.000 1.143 277 R HN 0.909 nan 8.270 nan 0.000 0.452 278 R N 3.391 123.690 120.500 -0.335 0.000 2.727 278 R HA 0.232 4.573 4.340 0.001 0.000 0.410 278 R C -0.634 175.534 176.300 -0.219 0.000 1.101 278 R CA -0.324 55.675 56.100 -0.169 0.000 1.045 278 R CB 0.437 30.682 30.300 -0.092 0.000 1.380 278 R HN 0.810 nan 8.270 nan 0.000 0.587 279 C N -2.158 116.970 119.300 -0.287 0.000 3.275 279 C HA 0.597 5.058 4.460 0.001 0.000 0.373 279 C C -0.350 174.580 174.990 -0.101 0.000 1.934 279 C CA -1.473 57.425 59.018 -0.200 0.000 1.228 279 C CB 1.075 28.647 27.740 -0.279 0.000 2.317 279 C HN 0.388 nan 8.230 nan 0.000 0.437 280 R N 1.241 121.731 120.500 -0.016 0.000 2.522 280 R HA 0.491 4.832 4.340 0.001 0.000 0.284 280 R C 0.015 176.372 176.300 0.095 0.000 1.032 280 R CA 0.942 57.083 56.100 0.069 0.000 1.049 280 R CB -0.027 30.354 30.300 0.135 0.000 0.956 280 R HN 1.199 nan 8.270 nan 0.000 0.422 281 A N 3.545 126.438 122.820 0.120 0.000 2.320 281 A HA 0.243 4.564 4.320 0.001 0.000 0.287 281 A C 0.893 178.581 177.584 0.174 0.000 1.181 281 A CA 0.003 52.133 52.037 0.155 0.000 0.831 281 A CB 0.532 19.630 19.000 0.164 0.000 1.102 281 A HN 1.003 nan 8.150 nan 0.000 0.513 282 S N 1.970 117.785 115.700 0.192 0.000 2.522 282 S HA 0.089 4.560 4.470 0.001 0.000 0.227 282 S C 1.049 175.753 174.600 0.174 0.000 0.986 282 S CA 0.704 59.012 58.200 0.180 0.000 0.929 282 S CB 0.088 63.399 63.200 0.186 0.000 0.769 282 S HN 1.215 nan 8.310 nan 0.000 0.529 283 G N 1.678 110.605 108.800 0.212 0.000 4.433 283 G HA2 0.521 4.482 3.960 0.001 0.000 0.304 283 G HA3 0.521 4.482 3.960 0.001 0.000 0.304 283 G C -0.111 174.927 174.900 0.230 0.000 1.254 283 G CA -0.048 45.188 45.100 0.227 0.000 0.999 283 G HN 0.569 nan 8.290 nan 0.000 0.576 284 V N -2.816 117.217 119.914 0.198 0.000 3.113 284 V HA 0.590 4.710 4.120 0.001 0.000 0.316 284 V C 1.329 177.516 176.094 0.155 0.000 1.125 284 V CA -0.953 61.481 62.300 0.223 0.000 1.026 284 V CB 1.642 33.664 31.823 0.332 0.000 1.080 284 V HN 0.036 nan 8.190 nan 0.000 0.444 285 L N 1.939 123.267 121.223 0.174 0.000 2.131 285 L HA -0.025 4.316 4.340 0.001 0.000 0.210 285 L C 2.246 179.141 176.870 0.043 0.000 1.092 285 L CA 3.004 57.926 54.840 0.137 0.000 0.759 285 L CB -0.630 41.535 42.059 0.176 0.000 0.903 285 L HN 1.101 nan 8.230 nan 0.000 0.435 286 T N -6.087 108.417 114.554 -0.083 0.000 3.144 286 T HA 0.034 4.385 4.350 0.001 0.000 0.249 286 T C 1.508 176.159 174.700 -0.081 0.000 1.089 286 T CA 0.606 62.604 62.100 -0.170 0.000 0.989 286 T CB -0.604 67.997 68.868 -0.446 0.000 0.992 286 T HN 0.240 nan 8.240 nan 0.000 0.540 287 T N 1.928 116.470 114.554 -0.019 0.000 2.622 287 T HA -0.155 4.196 4.350 0.001 0.000 0.266 287 T C 2.192 176.920 174.700 0.045 0.000 1.047 287 T CA 1.772 63.896 62.100 0.039 0.000 1.159 287 T CB -0.705 68.208 68.868 0.075 0.000 0.863 287 T HN 0.528 nan 8.240 nan 0.000 0.422 288 S N -0.114 115.586 115.700 0.001 0.000 2.343 288 S HA -0.171 4.300 4.470 0.001 0.000 0.219 288 S C 2.464 177.089 174.600 0.042 0.000 1.033 288 S CA 1.532 59.719 58.200 -0.022 0.000 1.014 288 S CB -1.015 62.053 63.200 -0.220 0.000 0.915 288 S HN 0.662 nan 8.310 nan 0.000 0.435 289 C N 1.335 120.634 119.300 -0.001 0.000 2.413 289 C HA 0.048 4.509 4.460 0.001 0.000 0.276 289 C C 2.819 177.869 174.990 0.100 0.000 1.236 289 C CA 1.210 60.252 59.018 0.039 0.000 1.735 289 C CB -1.869 25.859 27.740 -0.020 0.000 2.031 289 C HN 0.724 nan 8.230 nan 0.000 0.474 290 G N 0.524 109.387 108.800 0.105 0.000 2.480 290 G HA2 -0.247 3.714 3.960 0.001 0.000 0.216 290 G HA3 -0.247 3.714 3.960 0.001 0.000 0.216 290 G C 1.502 176.496 174.900 0.157 0.000 1.200 290 G CA 1.161 46.333 45.100 0.120 0.000 0.782 290 G HN 0.597 nan 8.290 nan 0.000 0.554 291 N N 0.308 119.113 118.700 0.175 0.000 2.205 291 N HA -0.080 4.661 4.740 0.001 0.000 0.186 291 N C 2.345 177.921 175.510 0.110 0.000 1.015 291 N CA 1.578 54.757 53.050 0.216 0.000 0.862 291 N CB -0.590 37.942 38.487 0.075 0.000 0.986 291 N HN 0.277 nan 8.380 nan 0.000 0.429 292 T N 1.393 116.018 114.554 0.119 0.000 2.770 292 T HA 0.061 4.412 4.350 0.001 0.000 0.263 292 T C 2.135 176.931 174.700 0.159 0.000 1.039 292 T CA 0.492 62.673 62.100 0.136 0.000 1.142 292 T CB -0.185 68.828 68.868 0.241 0.000 0.868 292 T HN 0.119 nan 8.240 nan 0.000 0.435 293 L N 0.713 122.014 121.223 0.130 0.000 2.046 293 L HA -0.127 4.214 4.340 0.001 0.000 0.208 293 L C 2.898 179.876 176.870 0.179 0.000 1.077 293 L CA 1.228 56.141 54.840 0.121 0.000 0.747 293 L CB -0.953 41.134 42.059 0.046 0.000 0.896 293 L HN 0.292 nan 8.230 nan 0.000 0.432 294 T N -1.441 113.231 114.554 0.197 0.000 2.770 294 T HA -0.214 4.137 4.350 0.001 0.000 0.263 294 T C 2.008 176.888 174.700 0.301 0.000 1.039 294 T CA 1.397 63.633 62.100 0.226 0.000 1.142 294 T CB -0.429 68.605 68.868 0.277 0.000 0.868 294 T HN 0.461 nan 8.240 nan 0.000 0.435 295 C N 0.827 120.374 119.300 0.412 0.000 2.429 295 C HA -0.103 4.358 4.460 0.001 0.000 0.277 295 C C 2.407 177.538 174.990 0.235 0.000 1.262 295 C CA 0.594 59.837 59.018 0.375 0.000 1.733 295 C CB -1.430 26.407 27.740 0.162 0.000 2.010 295 C HN 0.666 nan 8.230 nan 0.000 0.483 296 Y N 0.774 121.127 120.300 0.088 0.000 2.242 296 Y HA -0.067 4.484 4.550 0.001 0.000 0.291 296 Y C 2.117 178.017 175.900 -0.001 0.000 1.137 296 Y CA 1.879 60.006 58.100 0.045 0.000 1.181 296 Y CB -0.407 38.071 38.460 0.030 0.000 0.989 296 Y HN 0.334 nan 8.280 nan 0.000 0.527 297 L N 1.022 122.223 121.223 -0.037 0.000 2.027 297 L HA -0.125 4.216 4.340 0.001 0.000 0.206 297 L C 2.011 178.690 176.870 -0.319 0.000 1.074 297 L CA 1.866 56.557 54.840 -0.249 0.000 0.745 297 L CB -0.790 41.135 42.059 -0.223 0.000 0.898 297 L HN 0.117 nan 8.230 nan 0.000 0.433 298 K N -0.410 119.897 120.400 -0.155 0.000 2.062 298 K HA 0.004 4.325 4.320 0.001 0.000 0.205 298 K C 2.086 178.626 176.600 -0.099 0.000 1.051 298 K CA 1.196 57.397 56.287 -0.143 0.000 0.941 298 K CB -0.378 32.160 32.500 0.063 0.000 0.719 298 K HN 0.443 nan 8.250 nan 0.000 0.440 299 A N 1.254 124.037 122.820 -0.062 0.000 1.930 299 A HA -0.127 4.194 4.320 0.001 0.000 0.217 299 A C 2.213 179.802 177.584 0.009 0.000 1.175 299 A CA 1.681 53.722 52.037 0.006 0.000 0.627 299 A CB -0.479 18.603 19.000 0.136 0.000 0.815 299 A HN 0.158 nan 8.150 nan 0.000 0.443 300 S N 0.069 115.652 115.700 -0.195 0.000 2.368 300 S HA -0.057 4.413 4.470 0.001 0.000 0.225 300 S C 2.320 176.849 174.600 -0.120 0.000 1.030 300 S CA 1.220 59.281 58.200 -0.232 0.000 0.999 300 S CB -0.490 62.402 63.200 -0.512 0.000 0.844 300 S HN 0.795 nan 8.310 nan 0.000 0.459 301 A N 1.657 124.392 122.820 -0.142 0.000 1.877 301 A HA 0.104 4.425 4.320 0.001 0.000 0.216 301 A C 2.366 179.980 177.584 0.050 0.000 1.186 301 A CA 1.719 53.735 52.037 -0.036 0.000 0.620 301 A CB -1.126 17.787 19.000 -0.145 0.000 0.822 301 A HN 0.523 nan 8.150 nan 0.000 0.443 302 A N -1.264 121.590 122.820 0.057 0.000 1.972 302 A HA -0.145 4.176 4.320 0.001 0.000 0.219 302 A C 2.242 179.866 177.584 0.067 0.000 1.169 302 A CA 1.590 53.564 52.037 -0.106 0.000 0.635 302 A CB -1.186 17.370 19.000 -0.741 0.000 0.810 302 A HN 0.593 nan 8.150 nan 0.000 0.446 303 C N -0.981 118.448 119.300 0.216 0.000 2.440 303 C HA -0.058 4.403 4.460 0.001 0.000 0.278 303 C C 2.897 177.915 174.990 0.046 0.000 1.295 303 C CA 1.047 60.218 59.018 0.255 0.000 1.738 303 C CB -1.219 26.624 27.740 0.171 0.000 1.987 303 C HN 0.614 nan 8.230 nan 0.000 0.492 304 R N 0.978 121.421 120.500 -0.096 0.000 2.062 304 R HA -0.047 4.294 4.340 0.001 0.000 0.229 304 R C 2.459 178.481 176.300 -0.464 0.000 1.128 304 R CA 1.455 57.388 56.100 -0.278 0.000 0.960 304 R CB -0.585 29.502 30.300 -0.355 0.000 0.855 304 R HN 0.501 nan 8.270 nan 0.000 0.432 305 A N 1.480 123.987 122.820 -0.521 0.000 1.917 305 A HA -0.172 4.149 4.320 0.001 0.000 0.219 305 A C 2.235 179.764 177.584 -0.091 0.000 1.182 305 A CA 1.975 53.842 52.037 -0.285 0.000 0.633 305 A CB -0.562 18.366 19.000 -0.121 0.000 0.819 305 A HN 0.417 nan 8.150 nan 0.000 0.448 306 A N -1.847 120.963 122.820 -0.017 0.000 2.251 306 A HA 0.301 4.621 4.320 0.001 0.000 0.209 306 A C 1.031 178.630 177.584 0.025 0.000 1.187 306 A CA 0.830 52.894 52.037 0.045 0.000 0.823 306 A CB -0.373 18.720 19.000 0.154 0.000 0.846 306 A HN 0.508 nan 8.150 nan 0.000 0.486 307 K N -1.391 119.006 120.400 -0.005 0.000 3.069 307 K HA -0.155 4.166 4.320 0.001 0.000 0.267 307 K C -0.872 175.737 176.600 0.015 0.000 1.082 307 K CA 0.223 56.510 56.287 0.001 0.000 0.782 307 K CB -1.775 30.731 32.500 0.010 0.000 1.230 307 K HN 0.328 nan 8.250 nan 0.000 0.488 308 L N 1.915 123.156 121.223 0.030 0.000 2.540 308 L HA -0.049 4.292 4.340 0.001 0.000 0.276 308 L C 0.965 177.842 176.870 0.012 0.000 1.212 308 L CA 1.148 56.005 54.840 0.028 0.000 0.893 308 L CB 0.308 42.398 42.059 0.051 0.000 1.138 308 L HN 0.090 nan 8.230 nan 0.000 0.491 309 Q N 2.850 122.651 119.800 0.001 0.000 2.294 309 Q HA 0.095 4.436 4.340 0.001 0.000 0.257 309 Q C 0.037 176.024 176.000 -0.022 0.000 0.955 309 Q CA -0.263 55.535 55.803 -0.009 0.000 0.936 309 Q CB 0.546 29.276 28.738 -0.013 0.000 1.188 309 Q HN 0.520 nan 8.270 nan 0.000 0.420 310 D N 1.030 121.419 120.400 -0.018 0.000 2.828 310 D HA -0.179 4.462 4.640 0.001 0.000 0.241 310 D C -1.115 175.163 176.300 -0.036 0.000 1.142 310 D CA 0.204 54.188 54.000 -0.026 0.000 0.755 310 D CB -0.876 39.900 40.800 -0.041 0.000 1.014 310 D HN 0.533 nan 8.370 nan 0.000 0.420 311 C N 1.139 120.427 119.300 -0.020 0.000 2.637 311 C HA 0.529 4.989 4.460 0.001 0.000 0.418 311 C C 0.907 175.888 174.990 -0.016 0.000 1.319 311 C CA -0.080 58.921 59.018 -0.028 0.000 1.949 311 C CB 0.640 28.375 27.740 -0.008 0.000 2.639 311 C HN 0.497 nan 8.230 nan 0.000 0.594 312 T N 5.682 120.213 114.554 -0.039 0.000 2.812 312 T HA 0.494 4.845 4.350 0.001 0.000 0.282 312 T C -0.364 174.343 174.700 0.012 0.000 0.990 312 T CA -0.250 61.855 62.100 0.009 0.000 0.960 312 T CB 0.910 69.747 68.868 -0.052 0.000 0.948 312 T HN 0.529 nan 8.240 nan 0.000 0.438 313 M N 3.224 122.886 119.600 0.103 0.000 2.472 313 M HA 0.614 5.095 4.480 0.001 0.000 0.331 313 M C -1.180 175.232 176.300 0.186 0.000 1.170 313 M CA -1.114 54.244 55.300 0.097 0.000 1.009 313 M CB 1.855 34.538 32.600 0.138 0.000 1.672 313 M HN 0.311 nan 8.290 nan 0.000 0.453 314 L N 3.147 124.442 121.223 0.120 0.000 2.376 314 L HA 0.697 5.038 4.340 0.001 0.000 0.275 314 L C -1.437 175.447 176.870 0.024 0.000 0.987 314 L CA -0.521 54.389 54.840 0.118 0.000 0.828 314 L CB 1.877 44.016 42.059 0.133 0.000 1.249 314 L HN 0.503 nan 8.230 nan 0.000 0.409 315 V N 4.383 124.287 119.914 -0.017 0.000 2.531 315 V HA 0.599 4.720 4.120 0.001 0.000 0.301 315 V C -0.895 175.036 176.094 -0.271 0.000 1.034 315 V CA -0.645 61.621 62.300 -0.055 0.000 0.865 315 V CB 1.981 33.855 31.823 0.086 0.000 0.995 315 V HN 0.807 nan 8.190 nan 0.000 0.424 316 N N 3.510 122.009 118.700 -0.336 0.000 2.576 316 N HA 0.630 5.371 4.740 0.001 0.000 0.269 316 N C 0.558 175.948 175.510 -0.199 0.000 1.058 316 N CA 0.473 53.129 53.050 -0.657 0.000 0.860 316 N CB 1.810 39.792 38.487 -0.843 0.000 1.249 316 N HN 1.032 nan 8.380 nan 0.000 0.525 317 G N 2.515 111.339 108.800 0.040 0.000 2.660 317 G HA2 -0.417 3.544 3.960 0.001 0.000 0.321 317 G HA3 -0.417 3.544 3.960 0.001 0.000 0.321 317 G C 0.593 175.334 174.900 -0.265 0.000 1.246 317 G CA 0.934 46.034 45.100 -0.001 0.000 1.000 317 G HN 0.640 nan 8.290 nan 0.000 0.550 318 D N 1.087 121.241 120.400 -0.410 0.000 2.348 318 D HA 0.069 4.710 4.640 0.001 0.000 0.211 318 D C 0.554 176.734 176.300 -0.200 0.000 0.998 318 D CA 0.806 54.396 54.000 -0.684 0.000 0.873 318 D CB -0.221 40.174 40.800 -0.676 0.000 0.925 318 D HN 0.436 nan 8.370 nan 0.000 0.524 319 D N 0.609 120.946 120.400 -0.106 0.000 2.348 319 D HA 0.272 4.913 4.640 0.001 0.000 0.253 319 D C -0.841 175.453 176.300 -0.010 0.000 1.161 319 D CA -0.378 53.608 54.000 -0.024 0.000 0.876 319 D CB 1.105 41.885 40.800 -0.034 0.000 1.160 319 D HN 0.051 nan 8.370 nan 0.000 0.459 320 L N 5.111 126.372 121.223 0.062 0.000 2.438 320 L HA 0.465 4.806 4.340 0.001 0.000 0.270 320 L C -1.759 175.126 176.870 0.025 0.000 0.972 320 L CA -0.697 54.189 54.840 0.076 0.000 0.831 320 L CB 1.900 44.074 42.059 0.193 0.000 1.273 320 L HN 0.128 nan 8.230 nan 0.000 0.405 321 V N 6.072 125.954 119.914 -0.053 0.000 2.656 321 V HA 0.809 4.930 4.120 0.001 0.000 0.307 321 V C -1.398 174.535 176.094 -0.269 0.000 1.051 321 V CA -0.333 61.870 62.300 -0.163 0.000 0.893 321 V CB 2.260 34.018 31.823 -0.108 0.000 0.999 321 V HN 0.610 nan 8.190 nan 0.000 0.426 322 V N 7.776 127.340 119.914 -0.583 0.000 2.540 322 V HA 0.596 4.717 4.120 0.001 0.000 0.302 322 V C -0.323 175.493 176.094 -0.463 0.000 1.035 322 V CA -0.446 61.491 62.300 -0.606 0.000 0.873 322 V CB 1.753 32.960 31.823 -1.027 0.000 0.992 322 V HN 0.773 nan 8.190 nan 0.000 0.428 323 I N 4.892 125.319 120.570 -0.239 0.000 2.465 323 I HA 0.728 4.899 4.170 0.001 0.000 0.291 323 I C -0.142 175.878 176.117 -0.161 0.000 1.014 323 I CA -0.356 60.851 61.300 -0.154 0.000 1.093 323 I CB 1.828 39.779 38.000 -0.081 0.000 1.267 323 I HN 0.884 nan 8.210 nan 0.000 0.431 324 C N 2.223 121.424 119.300 -0.166 0.000 3.335 324 C HA 0.565 5.025 4.460 0.001 0.000 0.356 324 C C -0.695 174.200 174.990 -0.158 0.000 1.570 324 C CA -0.920 58.020 59.018 -0.129 0.000 1.271 324 C CB 1.827 29.530 27.740 -0.061 0.000 1.873 324 C HN 0.626 nan 8.230 nan 0.000 0.439 325 E N 1.814 121.949 120.200 -0.109 0.000 2.259 325 E HA 0.309 4.660 4.350 0.001 0.000 0.281 325 E C 0.131 176.699 176.600 -0.053 0.000 1.037 325 E CA 0.490 56.829 56.400 -0.100 0.000 0.854 325 E CB 1.690 31.346 29.700 -0.074 0.000 1.051 325 E HN 0.723 nan 8.360 nan 0.000 0.409 326 S N 1.797 117.475 115.700 -0.036 0.000 2.576 326 S HA 0.266 4.737 4.470 0.001 0.000 0.276 326 S C 0.584 175.196 174.600 0.020 0.000 1.339 326 S CA 0.125 58.350 58.200 0.041 0.000 1.039 326 S CB 0.719 63.997 63.200 0.130 0.000 0.902 326 S HN 0.520 nan 8.310 nan 0.000 0.516 327 A N 3.161 126.002 122.820 0.035 0.000 2.465 327 A HA 0.645 4.966 4.320 0.001 0.000 0.255 327 A C 0.948 178.541 177.584 0.015 0.000 1.274 327 A CA 0.278 52.324 52.037 0.016 0.000 0.920 327 A CB -0.930 18.079 19.000 0.014 0.000 1.033 327 A HN 1.929 nan 8.150 nan 0.000 0.516 328 G N -1.390 107.425 108.800 0.025 0.000 2.587 328 G HA2 0.054 4.015 3.960 0.001 0.000 0.686 328 G HA3 0.054 4.015 3.960 0.001 0.000 0.686 328 G C 0.526 175.448 174.900 0.038 0.000 1.236 328 G CA 0.231 45.332 45.100 0.002 0.000 0.820 328 G HN 1.017 nan 8.290 nan 0.000 0.645 329 T N -1.995 112.560 114.554 0.002 0.000 2.777 329 T HA -0.076 4.275 4.350 0.001 0.000 0.266 329 T C 2.027 176.768 174.700 0.069 0.000 1.040 329 T CA 2.099 64.236 62.100 0.062 0.000 1.141 329 T CB -0.141 68.714 68.868 -0.021 0.000 0.868 329 T HN 0.527 nan 8.240 nan 0.000 0.444 330 Q N 1.128 120.945 119.800 0.029 0.000 2.079 330 Q HA -0.048 4.293 4.340 0.001 0.000 0.200 330 Q C 2.335 178.349 176.000 0.023 0.000 0.974 330 Q CA 1.643 57.459 55.803 0.023 0.000 0.840 330 Q CB -0.342 28.401 28.738 0.009 0.000 0.898 330 Q HN 0.674 nan 8.270 nan 0.000 0.430 331 E N 0.824 121.038 120.200 0.023 0.000 2.077 331 E HA -0.147 4.203 4.350 0.001 0.000 0.193 331 E C 1.668 178.281 176.600 0.022 0.000 0.989 331 E CA 1.190 57.601 56.400 0.019 0.000 0.800 331 E CB -0.075 29.635 29.700 0.017 0.000 0.746 331 E HN 0.286 nan 8.360 nan 0.000 0.452 332 D N 0.197 120.625 120.400 0.046 0.000 2.097 332 D HA -0.114 4.527 4.640 0.001 0.000 0.195 332 D C 1.876 178.171 176.300 -0.009 0.000 0.989 332 D CA 1.512 55.533 54.000 0.036 0.000 0.827 332 D CB -0.437 40.434 40.800 0.118 0.000 0.966 332 D HN 0.204 nan 8.370 nan 0.000 0.456 333 A N 0.882 123.712 122.820 0.015 0.000 1.940 333 A HA -0.065 4.256 4.320 0.001 0.000 0.219 333 A C 2.270 179.839 177.584 -0.024 0.000 1.176 333 A CA 2.257 54.288 52.037 -0.010 0.000 0.631 333 A CB -0.639 18.371 19.000 0.017 0.000 0.814 333 A HN 0.245 nan 8.150 nan 0.000 0.446 334 A N -0.858 121.956 122.820 -0.010 0.000 1.929 334 A HA 0.024 4.345 4.320 0.001 0.000 0.216 334 A C 2.412 179.988 177.584 -0.013 0.000 1.176 334 A CA 1.753 53.785 52.037 -0.009 0.000 0.628 334 A CB -0.748 18.252 19.000 -0.000 0.000 0.816 334 A HN 0.430 nan 8.150 nan 0.000 0.444 335 S N 0.042 115.730 115.700 -0.019 0.000 2.359 335 S HA -0.132 4.338 4.470 0.001 0.000 0.224 335 S C 1.842 176.421 174.600 -0.035 0.000 1.035 335 S CA 1.383 59.573 58.200 -0.017 0.000 1.018 335 S CB -0.472 62.714 63.200 -0.023 0.000 0.876 335 S HN 0.510 nan 8.310 nan 0.000 0.448 336 L N 1.021 122.166 121.223 -0.130 0.000 2.079 336 L HA -0.181 4.160 4.340 0.001 0.000 0.210 336 L C 2.706 179.566 176.870 -0.015 0.000 1.081 336 L CA 1.421 56.130 54.840 -0.218 0.000 0.752 336 L CB -0.389 41.466 42.059 -0.341 0.000 0.896 336 L HN 0.318 nan 8.230 nan 0.000 0.433 337 R N -1.064 119.431 120.500 -0.009 0.000 2.075 337 R HA -0.128 4.213 4.340 0.001 0.000 0.232 337 R C 2.145 178.464 176.300 0.031 0.000 1.126 337 R CA 1.238 57.350 56.100 0.019 0.000 0.963 337 R CB -0.499 29.802 30.300 0.001 0.000 0.858 337 R HN 0.207 nan 8.270 nan 0.000 0.435 338 V N 1.006 120.937 119.914 0.028 0.000 2.295 338 V HA -0.260 3.860 4.120 0.001 0.000 0.246 338 V C 1.998 178.106 176.094 0.024 0.000 1.049 338 V CA 1.841 64.150 62.300 0.015 0.000 1.024 338 V CB -0.607 31.227 31.823 0.018 0.000 0.648 338 V HN 0.215 nan 8.190 nan 0.000 0.447 339 F N 1.470 121.373 119.950 -0.077 0.000 2.120 339 F HA -0.259 4.269 4.527 0.001 0.000 0.300 339 F C 2.368 178.119 175.800 -0.081 0.000 1.095 339 F CA 2.368 60.322 58.000 -0.078 0.000 1.249 339 F CB -0.465 38.481 39.000 -0.089 0.000 0.995 339 F HN 0.124 nan 8.300 nan 0.000 0.480 340 T N -0.284 114.337 114.554 0.111 0.000 2.904 340 T HA -0.123 4.228 4.350 0.001 0.000 0.267 340 T C 1.631 176.313 174.700 -0.031 0.000 1.059 340 T CA 1.492 63.660 62.100 0.115 0.000 1.137 340 T CB -0.226 68.790 68.868 0.247 0.000 0.879 340 T HN 0.381 nan 8.240 nan 0.000 0.467 341 E N 1.145 121.306 120.200 -0.066 0.000 2.107 341 E HA 0.050 4.401 4.350 0.001 0.000 0.191 341 E C 2.504 178.968 176.600 -0.227 0.000 0.982 341 E CA 0.803 57.138 56.400 -0.110 0.000 0.809 341 E CB -0.164 29.488 29.700 -0.080 0.000 0.756 341 E HN 0.448 nan 8.360 nan 0.000 0.459 342 A N 1.372 124.009 122.820 -0.305 0.000 1.858 342 A HA -0.196 4.125 4.320 0.001 0.000 0.216 342 A C 2.163 179.346 177.584 -0.669 0.000 1.190 342 A CA 1.296 53.017 52.037 -0.526 0.000 0.617 342 A CB -0.346 18.415 19.000 -0.399 0.000 0.827 342 A HN 0.112 nan 8.150 nan 0.000 0.443 343 M N -0.237 119.085 119.600 -0.463 0.000 2.149 343 M HA -0.124 4.356 4.480 0.001 0.000 0.261 343 M C 2.161 178.384 176.300 -0.129 0.000 1.064 343 M CA 2.059 57.198 55.300 -0.268 0.000 1.102 343 M CB -1.963 30.372 32.600 -0.441 0.000 1.369 343 M HN 0.451 nan 8.290 nan 0.000 0.408 344 T N 0.111 114.585 114.554 -0.132 0.000 2.821 344 T HA -0.087 4.264 4.350 0.001 0.000 0.267 344 T C 1.992 176.620 174.700 -0.119 0.000 1.046 344 T CA 1.016 63.073 62.100 -0.072 0.000 1.139 344 T CB -0.129 68.706 68.868 -0.055 0.000 0.871 344 T HN 0.383 nan 8.240 nan 0.000 0.454 345 R N 0.127 120.482 120.500 -0.242 0.000 2.081 345 R HA -0.051 4.290 4.340 0.001 0.000 0.235 345 R C 1.917 178.116 176.300 -0.168 0.000 1.131 345 R CA 1.204 57.153 56.100 -0.253 0.000 0.960 345 R CB -0.391 29.676 30.300 -0.388 0.000 0.856 345 R HN 0.428 nan 8.270 nan 0.000 0.436 346 Y N 0.092 120.345 120.300 -0.078 0.000 2.632 346 Y HA -0.029 4.522 4.550 0.001 0.000 0.301 346 Y C 1.386 177.249 175.900 -0.063 0.000 1.172 346 Y CA 0.358 58.410 58.100 -0.080 0.000 1.328 346 Y CB -0.155 38.290 38.460 -0.025 0.000 1.016 346 Y HN 0.102 nan 8.280 nan 0.000 0.529 347 S N -1.871 113.862 115.700 0.056 0.000 2.417 347 S HA -0.157 4.314 4.470 0.001 0.000 0.260 347 S C 0.299 174.916 174.600 0.029 0.000 1.333 347 S CA 0.430 58.647 58.200 0.029 0.000 1.219 347 S CB -1.667 61.547 63.200 0.024 0.000 1.510 347 S HN 0.606 nan 8.310 nan 0.000 0.656 348 A N 2.216 125.071 122.820 0.057 0.000 3.079 348 A HA 0.628 4.949 4.320 0.001 0.000 0.315 348 A C -2.156 175.543 177.584 0.191 0.000 1.334 348 A CA -1.227 50.874 52.037 0.106 0.000 1.048 348 A CB 0.376 19.469 19.000 0.156 0.000 1.156 348 A HN 0.446 nan 8.150 nan 0.000 0.523 349 P HA 0.277 nan 4.420 nan 0.000 0.274 349 P C -2.897 174.473 177.300 0.117 0.000 1.231 349 P CA -1.363 61.801 63.100 0.107 0.000 0.790 349 P CB 0.529 32.223 31.700 -0.010 0.000 0.951 350 P HA 0.094 nan 4.420 nan 0.000 0.277 350 P C 0.802 178.047 177.300 -0.091 0.000 1.240 350 P CA 0.071 63.083 63.100 -0.146 0.000 0.798 350 P CB 0.685 32.257 31.700 -0.212 0.000 0.979 351 G N 1.582 110.321 108.800 -0.101 0.000 2.447 351 G HA2 0.003 3.964 3.960 0.001 0.000 0.211 351 G HA3 0.003 3.964 3.960 0.001 0.000 0.211 351 G C -0.012 174.850 174.900 -0.063 0.000 1.184 351 G CA 0.225 45.290 45.100 -0.058 0.000 0.813 351 G HN 0.498 nan 8.290 nan 0.000 0.540 352 D N 1.324 121.675 120.400 -0.082 0.000 2.256 352 D HA 0.326 4.967 4.640 0.001 0.000 0.246 352 D C -2.610 173.636 176.300 -0.091 0.000 1.042 352 D CA -1.195 52.764 54.000 -0.067 0.000 0.841 352 D CB 2.201 42.973 40.800 -0.048 0.000 1.223 352 D HN 0.046 nan 8.370 nan 0.000 0.470 353 P HA 0.112 nan 4.420 nan 0.000 0.267 353 P C -2.403 174.875 177.300 -0.036 0.000 1.205 353 P CA -0.892 62.184 63.100 -0.041 0.000 0.765 353 P CB -0.273 31.416 31.700 -0.018 0.000 0.828 354 P HA 0.097 nan 4.420 nan 0.000 0.268 354 P C -0.469 176.809 177.300 -0.038 0.000 1.205 354 P CA 0.250 63.357 63.100 0.011 0.000 0.771 354 P CB 0.616 32.364 31.700 0.080 0.000 0.858 355 Q N 2.299 122.094 119.800 -0.008 0.000 2.342 355 Q HA 0.453 4.794 4.340 0.001 0.000 0.267 355 Q C -2.407 173.576 176.000 -0.027 0.000 1.038 355 Q CA -2.286 53.502 55.803 -0.025 0.000 0.832 355 Q CB 1.280 30.018 28.738 0.001 0.000 1.323 355 Q HN 0.321 nan 8.270 nan 0.000 0.448 356 P HA 0.090 nan 4.420 nan 0.000 0.268 356 P C -0.510 176.674 177.300 -0.193 0.000 1.204 356 P CA 0.165 63.174 63.100 -0.152 0.000 0.768 356 P CB 0.803 32.404 31.700 -0.166 0.000 0.842 357 E N 1.984 122.037 120.200 -0.245 0.000 2.256 357 E HA 0.257 4.607 4.350 0.001 0.000 0.267 357 E C -0.610 175.813 176.600 -0.295 0.000 0.892 357 E CA -0.395 55.900 56.400 -0.174 0.000 0.775 357 E CB 1.490 31.171 29.700 -0.033 0.000 1.207 357 E HN 0.430 nan 8.360 nan 0.000 0.420 358 Y N -0.131 120.312 120.300 0.238 0.000 2.682 358 Y HA 0.207 4.758 4.550 0.001 0.000 0.251 358 Y C -0.015 176.113 175.900 0.381 0.000 1.172 358 Y CA -0.394 57.925 58.100 0.364 0.000 1.186 358 Y CB 1.087 39.664 38.460 0.195 0.000 1.216 358 Y HN 0.248 nan 8.280 nan 0.000 0.540 359 D N 0.506 121.008 120.400 0.170 0.000 2.686 359 D HA 0.098 4.739 4.640 0.001 0.000 0.249 359 D C 0.636 176.578 176.300 -0.597 0.000 1.260 359 D CA -0.288 53.616 54.000 -0.160 0.000 0.910 359 D CB 1.930 42.700 40.800 -0.050 0.000 1.323 359 D HN 0.175 nan 8.370 nan 0.000 0.561 360 L N 4.513 124.958 121.223 -1.297 0.000 2.089 360 L HA -0.152 4.189 4.340 0.001 0.000 0.213 360 L C 1.672 178.215 176.870 -0.546 0.000 1.079 360 L CA 2.041 56.167 54.840 -1.190 0.000 0.758 360 L CB -0.282 40.998 42.059 -1.298 0.000 0.891 360 L HN 0.516 nan 8.230 nan 0.000 0.433 361 E N -0.772 119.191 120.200 -0.396 0.000 2.333 361 E HA -0.167 4.184 4.350 0.001 0.000 0.198 361 E C 1.956 178.458 176.600 -0.165 0.000 1.007 361 E CA 0.945 57.208 56.400 -0.227 0.000 0.845 361 E CB -0.184 29.426 29.700 -0.151 0.000 0.766 361 E HN 0.561 nan 8.360 nan 0.000 0.507 362 L N 0.783 121.905 121.223 -0.167 0.000 2.592 362 L HA 0.166 4.507 4.340 0.001 0.000 0.227 362 L C 0.672 177.490 176.870 -0.086 0.000 1.127 362 L CA -0.070 54.712 54.840 -0.097 0.000 0.884 362 L CB 0.185 42.206 42.059 -0.062 0.000 1.065 362 L HN 0.021 nan 8.230 nan 0.000 0.457 363 I N 0.326 120.822 120.570 -0.123 0.000 2.297 363 I HA 0.101 4.271 4.170 0.001 0.000 0.291 363 I C -0.029 176.048 176.117 -0.067 0.000 1.033 363 I CA 0.072 61.322 61.300 -0.085 0.000 1.253 363 I CB 1.243 39.179 38.000 -0.106 0.000 1.396 363 I HN -0.082 nan 8.210 nan 0.000 0.476 364 T N 5.121 119.655 114.554 -0.033 0.000 2.733 364 T HA 0.368 4.719 4.350 0.001 0.000 0.294 364 T C -0.022 174.677 174.700 -0.002 0.000 0.956 364 T CA -0.558 61.532 62.100 -0.016 0.000 0.987 364 T CB 0.642 69.506 68.868 -0.006 0.000 0.920 364 T HN 0.704 nan 8.240 nan 0.000 0.470 365 S N 0.942 116.641 115.700 -0.001 0.000 2.538 365 S HA 0.455 4.926 4.470 0.001 0.000 0.288 365 S C 0.232 174.848 174.600 0.026 0.000 1.108 365 S CA -0.812 57.393 58.200 0.007 0.000 0.971 365 S CB 0.767 63.957 63.200 -0.017 0.000 1.041 365 S HN 0.866 nan 8.310 nan 0.000 0.483 366 C N 2.012 121.334 119.300 0.036 0.000 4.454 366 C HA -0.173 4.288 4.460 0.001 0.000 0.298 366 C C 1.373 176.431 174.990 0.112 0.000 1.384 366 C CA 0.579 59.639 59.018 0.071 0.000 2.002 366 C CB -3.320 24.460 27.740 0.066 0.000 1.249 366 C HN 1.733 nan 8.230 nan 0.000 0.783 367 S N -2.160 113.591 115.700 0.084 0.000 3.146 367 S HA -0.235 4.235 4.470 0.001 0.000 0.285 367 S C 0.305 174.959 174.600 0.090 0.000 1.293 367 S CA 1.496 59.745 58.200 0.082 0.000 1.137 367 S CB -1.619 61.645 63.200 0.106 0.000 1.357 367 S HN 2.078 nan 8.310 nan 0.000 0.678 368 S N 1.654 117.417 115.700 0.105 0.000 2.600 368 S HA 0.796 5.267 4.470 0.001 0.000 0.300 368 S C -0.757 173.872 174.600 0.049 0.000 1.087 368 S CA -0.524 57.754 58.200 0.129 0.000 0.965 368 S CB 2.146 65.483 63.200 0.227 0.000 1.089 368 S HN 0.551 nan 8.310 nan 0.000 0.496 369 N N -0.186 118.531 118.700 0.027 0.000 2.455 369 N HA 0.429 5.170 4.740 0.001 0.000 0.278 369 N C -1.405 174.053 175.510 -0.087 0.000 1.291 369 N CA -0.754 52.270 53.050 -0.045 0.000 0.780 369 N CB 1.509 39.958 38.487 -0.063 0.000 1.520 369 N HN 0.461 nan 8.380 nan 0.000 0.486 370 V N 0.439 120.265 119.914 -0.146 0.000 2.583 370 V HA 0.411 4.531 4.120 0.001 0.000 0.287 370 V C 0.532 176.488 176.094 -0.229 0.000 1.051 370 V CA -0.074 62.109 62.300 -0.196 0.000 1.010 370 V CB 0.894 32.592 31.823 -0.208 0.000 0.988 370 V HN 0.853 nan 8.190 nan 0.000 0.478 371 S N 2.963 118.429 115.700 -0.389 0.000 2.732 371 S HA 0.853 5.324 4.470 0.001 0.000 0.293 371 S C -1.142 173.311 174.600 -0.244 0.000 1.159 371 S CA -0.520 57.479 58.200 -0.334 0.000 0.847 371 S CB 2.098 65.066 63.200 -0.387 0.000 1.169 371 S HN 0.440 nan 8.310 nan 0.000 0.501 372 V N 1.196 121.091 119.914 -0.032 0.000 2.735 372 V HA 0.953 5.074 4.120 0.001 0.000 0.310 372 V C 0.209 176.306 176.094 0.005 0.000 1.061 372 V CA -0.288 61.959 62.300 -0.088 0.000 0.913 372 V CB 0.957 32.634 31.823 -0.244 0.000 1.005 372 V HN 1.117 nan 8.190 nan 0.000 0.428 373 A N 2.717 125.407 122.820 -0.216 0.000 2.566 373 A HA 0.897 5.218 4.320 0.001 0.000 0.291 373 A C -1.159 176.000 177.584 -0.709 0.000 1.278 373 A CA -0.607 51.155 52.037 -0.458 0.000 0.711 373 A CB 1.738 20.265 19.000 -0.788 0.000 1.332 373 A HN 0.851 nan 8.150 nan 0.000 0.478 374 H N 0.213 118.953 119.070 -0.551 0.000 2.690 374 H HA 0.387 4.944 4.556 0.001 0.000 0.368 374 H C -1.054 174.003 175.328 -0.452 0.000 1.150 374 H CA -0.390 55.358 56.048 -0.500 0.000 1.174 374 H CB 1.912 31.333 29.762 -0.568 0.000 1.684 374 H HN 0.905 nan 8.280 nan 0.000 0.538 375 D N 0.541 120.883 120.400 -0.096 0.000 2.511 375 D HA 0.172 4.813 4.640 0.001 0.000 0.276 375 D C 1.237 177.658 176.300 0.202 0.000 1.220 375 D CA -0.463 53.557 54.000 0.032 0.000 1.077 375 D CB 0.279 41.082 40.800 0.005 0.000 1.126 375 D HN 0.455 nan 8.370 nan 0.000 0.583 376 A N -0.451 122.465 122.820 0.161 0.000 2.019 376 A HA -0.105 4.216 4.320 0.001 0.000 0.219 376 A C 2.018 179.674 177.584 0.120 0.000 1.164 376 A CA 1.566 53.684 52.037 0.135 0.000 0.644 376 A CB -0.706 18.338 19.000 0.073 0.000 0.805 376 A HN 0.438 nan 8.150 nan 0.000 0.449 377 S N -1.898 113.862 115.700 0.099 0.000 2.575 377 S HA 0.371 4.842 4.470 0.001 0.000 0.215 377 S C 1.436 176.086 174.600 0.083 0.000 0.966 377 S CA 0.761 59.004 58.200 0.072 0.000 0.911 377 S CB 0.143 63.372 63.200 0.048 0.000 0.780 377 S HN 1.522 nan 8.310 nan 0.000 0.514 378 G N 2.144 111.021 108.800 0.127 0.000 2.205 378 G HA2 -0.312 3.649 3.960 0.001 0.000 0.261 378 G HA3 -0.312 3.649 3.960 0.001 0.000 0.261 378 G C 0.151 175.151 174.900 0.166 0.000 0.980 378 G CA 0.360 45.524 45.100 0.106 0.000 0.632 378 G HN 0.519 nan 8.290 nan 0.000 0.533 379 K N 1.291 121.743 120.400 0.087 0.000 2.448 379 K HA 0.283 4.604 4.320 0.001 0.000 0.278 379 K C 0.910 177.470 176.600 -0.067 0.000 1.009 379 K CA -0.462 55.846 56.287 0.035 0.000 0.995 379 K CB 0.223 32.725 32.500 0.003 0.000 0.917 379 K HN 0.395 nan 8.250 nan 0.000 0.481 380 R N 2.036 122.431 120.500 -0.175 0.000 2.570 380 R HA 0.112 4.453 4.340 0.001 0.000 0.277 380 R C -0.622 175.418 176.300 -0.433 0.000 1.039 380 R CA -0.324 55.468 56.100 -0.513 0.000 1.065 380 R CB 0.643 30.657 30.300 -0.478 0.000 0.964 380 R HN 0.256 nan 8.270 nan 0.000 0.428 381 V N 4.392 124.001 119.914 -0.507 0.000 2.577 381 V HA 0.252 4.373 4.120 0.001 0.000 0.303 381 V C -0.961 174.948 176.094 -0.308 0.000 1.042 381 V CA -0.907 61.204 62.300 -0.315 0.000 0.872 381 V CB 1.400 33.114 31.823 -0.182 0.000 0.998 381 V HN 0.560 nan 8.190 nan 0.000 0.423 382 Y N 4.937 125.227 120.300 -0.016 0.000 2.320 382 Y HA 0.682 5.233 4.550 0.001 0.000 0.324 382 Y C -0.036 175.924 175.900 0.100 0.000 1.190 382 Y CA -0.302 57.796 58.100 -0.003 0.000 1.215 382 Y CB 1.288 39.703 38.460 -0.074 0.000 1.221 382 Y HN 0.722 nan 8.280 nan 0.000 0.486 383 Y N 0.320 120.688 120.300 0.113 0.000 2.592 383 Y HA 0.614 5.165 4.550 0.001 0.000 0.334 383 Y C -2.195 173.769 175.900 0.106 0.000 1.136 383 Y CA -1.883 56.265 58.100 0.081 0.000 1.042 383 Y CB 0.574 39.056 38.460 0.036 0.000 1.325 383 Y HN 0.491 nan 8.280 nan 0.000 0.457 384 L N 2.610 123.897 121.223 0.107 0.000 2.326 384 L HA 0.761 5.102 4.340 0.001 0.000 0.278 384 L C 0.036 177.091 176.870 0.308 0.000 1.092 384 L CA 0.599 55.496 54.840 0.094 0.000 0.810 384 L CB 1.300 43.435 42.059 0.128 0.000 1.153 384 L HN 1.032 nan 8.230 nan 0.000 0.439 385 T N 4.432 119.133 114.554 0.244 0.000 2.778 385 T HA 0.854 5.205 4.350 0.001 0.000 0.293 385 T C -1.226 173.610 174.700 0.226 0.000 1.144 385 T CA -0.642 61.687 62.100 0.382 0.000 1.010 385 T CB 1.139 70.221 68.868 0.356 0.000 1.325 385 T HN 0.850 nan 8.240 nan 0.000 0.515 386 R N 0.578 121.143 120.500 0.108 0.000 2.733 386 R HA 0.496 4.837 4.340 0.001 0.000 0.272 386 R C -1.473 174.655 176.300 -0.287 0.000 1.029 386 R CA -1.050 54.996 56.100 -0.090 0.000 0.888 386 R CB 0.378 30.586 30.300 -0.155 0.000 1.251 386 R HN 0.514 nan 8.270 nan 0.000 0.464 387 D N 2.025 122.263 120.400 -0.270 0.000 2.434 387 D HA 0.034 4.675 4.640 0.001 0.000 0.252 387 D C -1.275 174.670 176.300 -0.592 0.000 1.185 387 D CA -1.291 52.496 54.000 -0.354 0.000 0.886 387 D CB 1.190 41.870 40.800 -0.200 0.000 1.148 387 D HN 0.334 nan 8.370 nan 0.000 0.483 388 P HA -0.047 nan 4.420 nan 0.000 0.237 388 P C 1.208 178.181 177.300 -0.545 0.000 1.178 388 P CA 0.316 62.705 63.100 -1.184 0.000 0.766 388 P CB 0.264 31.129 31.700 -1.391 0.000 0.876 389 T N 0.021 114.375 114.554 -0.334 0.000 2.635 389 T HA -0.144 4.207 4.350 0.001 0.000 0.267 389 T C 1.802 176.444 174.700 -0.096 0.000 1.040 389 T CA 2.442 64.448 62.100 -0.158 0.000 1.156 389 T CB -1.142 67.675 68.868 -0.085 0.000 0.863 389 T HN 0.212 nan 8.240 nan 0.000 0.430 390 T N 2.162 116.664 114.554 -0.086 0.000 2.737 390 T HA -0.046 4.305 4.350 0.001 0.000 0.265 390 T C -0.552 174.120 174.700 -0.048 0.000 1.038 390 T CA 1.167 63.245 62.100 -0.037 0.000 1.144 390 T CB -1.246 67.629 68.868 0.013 0.000 0.866 390 T HN 0.343 nan 8.240 nan 0.000 0.434 391 P HA -0.006 nan 4.420 nan 0.000 0.216 391 P C 1.435 178.790 177.300 0.092 0.000 1.150 391 P CA 0.922 64.050 63.100 0.046 0.000 0.843 391 P CB -0.190 31.557 31.700 0.079 0.000 0.787 392 L N -1.427 119.806 121.223 0.017 0.000 2.109 392 L HA -0.066 4.275 4.340 0.001 0.000 0.207 392 L C 2.486 179.398 176.870 0.070 0.000 1.086 392 L CA 1.246 56.115 54.840 0.048 0.000 0.760 392 L CB -1.122 40.929 42.059 -0.012 0.000 0.910 392 L HN -0.062 nan 8.230 nan 0.000 0.437 393 A N 0.416 123.265 122.820 0.048 0.000 1.908 393 A HA -0.208 4.113 4.320 0.001 0.000 0.218 393 A C 2.383 180.035 177.584 0.113 0.000 1.181 393 A CA 1.549 53.631 52.037 0.075 0.000 0.627 393 A CB -0.420 18.598 19.000 0.031 0.000 0.818 393 A HN 0.342 nan 8.150 nan 0.000 0.445 394 R N -0.783 119.762 120.500 0.075 0.000 2.119 394 R HA 0.079 4.420 4.340 0.001 0.000 0.222 394 R C 2.448 178.911 176.300 0.270 0.000 1.088 394 R CA 0.925 57.092 56.100 0.111 0.000 0.984 394 R CB -0.392 29.913 30.300 0.008 0.000 0.884 394 R HN 0.489 nan 8.270 nan 0.000 0.447 395 A N 1.533 124.526 122.820 0.289 0.000 1.933 395 A HA -0.101 4.220 4.320 0.001 0.000 0.218 395 A C 2.359 180.149 177.584 0.343 0.000 1.175 395 A CA 1.658 53.965 52.037 0.450 0.000 0.628 395 A CB -0.492 18.789 19.000 0.469 0.000 0.814 395 A HN 0.373 nan 8.150 nan 0.000 0.444 396 A N -1.200 121.746 122.820 0.209 0.000 1.873 396 A HA -0.171 4.150 4.320 0.001 0.000 0.215 396 A C 2.111 179.828 177.584 0.222 0.000 1.186 396 A CA 1.337 53.466 52.037 0.153 0.000 0.616 396 A CB -0.934 18.148 19.000 0.137 0.000 0.823 396 A HN 0.835 nan 8.150 nan 0.000 0.442 397 W N 1.059 122.414 121.300 0.093 0.000 2.338 397 W HA -0.179 4.482 4.660 0.001 0.000 0.304 397 W C 1.616 178.202 176.519 0.112 0.000 1.212 397 W CA 2.077 59.473 57.345 0.085 0.000 1.264 397 W CB -0.217 29.273 29.460 0.050 0.000 1.142 397 W HN 0.552 nan 8.180 nan 0.000 0.512 398 E N -0.918 119.528 120.200 0.410 0.000 2.285 398 E HA -0.115 4.236 4.350 0.001 0.000 0.194 398 E C 2.048 178.793 176.600 0.242 0.000 0.997 398 E CA 1.502 58.111 56.400 0.348 0.000 0.845 398 E CB -0.125 29.838 29.700 0.438 0.000 0.782 398 E HN 0.079 nan 8.360 nan 0.000 0.491 399 T N 0.409 115.110 114.554 0.245 0.000 2.812 399 T HA -0.051 4.300 4.350 0.001 0.000 0.264 399 T C 1.922 176.638 174.700 0.027 0.000 1.042 399 T CA 1.123 63.319 62.100 0.160 0.000 1.140 399 T CB -0.014 68.975 68.868 0.202 0.000 0.870 399 T HN 0.202 nan 8.240 nan 0.000 0.445 400 A N 0.977 123.782 122.820 -0.025 0.000 2.072 400 A HA 0.215 4.536 4.320 0.001 0.000 0.216 400 A C 1.180 178.658 177.584 -0.177 0.000 1.156 400 A CA 0.440 52.408 52.037 -0.115 0.000 0.701 400 A CB 0.115 19.016 19.000 -0.165 0.000 0.816 400 A HN 0.325 nan 8.150 nan 0.000 0.458 401 R N -0.903 119.477 120.500 -0.200 0.000 2.744 401 R HA 0.372 4.713 4.340 0.001 0.000 0.279 401 R C -1.348 174.963 176.300 0.019 0.000 0.977 401 R CA -0.811 55.194 56.100 -0.159 0.000 0.906 401 R CB 1.146 31.214 30.300 -0.387 0.000 1.197 401 R HN 0.324 nan 8.270 nan 0.000 0.463 402 H N 1.771 120.853 119.070 0.021 0.000 2.562 402 H HA 0.262 4.818 4.556 0.001 0.000 0.314 402 H C -0.620 174.761 175.328 0.089 0.000 1.079 402 H CA 0.273 56.362 56.048 0.068 0.000 1.349 402 H CB 1.034 30.822 29.762 0.044 0.000 1.432 402 H HN 0.702 nan 8.280 nan 0.000 0.479 403 T N 2.269 117.058 114.554 0.392 0.000 2.896 403 T HA 0.302 4.652 4.350 0.001 0.000 0.297 403 T C -1.868 172.944 174.700 0.187 0.000 1.108 403 T CA -1.579 60.671 62.100 0.249 0.000 1.004 403 T CB 2.242 71.263 68.868 0.254 0.000 1.159 403 T HN 0.300 nan 8.240 nan 0.000 0.499 404 P HA 0.132 nan 4.420 nan 0.000 0.222 404 P C 0.087 177.394 177.300 0.012 0.000 1.153 404 P CA 0.308 63.402 63.100 -0.009 0.000 0.798 404 P CB 0.100 31.744 31.700 -0.093 0.000 0.796 405 V N 1.910 121.834 119.914 0.018 0.000 2.513 405 V HA 0.276 4.396 4.120 0.001 0.000 0.299 405 V C -0.065 176.007 176.094 -0.036 0.000 1.035 405 V CA -0.764 61.525 62.300 -0.020 0.000 0.889 405 V CB 1.703 33.507 31.823 -0.032 0.000 0.988 405 V HN 0.016 nan 8.190 nan 0.000 0.440 406 N N 2.700 121.307 118.700 -0.155 0.000 2.699 406 N HA 0.115 4.855 4.740 0.001 0.000 0.232 406 N C 1.200 176.434 175.510 -0.460 0.000 1.027 406 N CA 0.039 52.883 53.050 -0.343 0.000 0.920 406 N CB 1.720 39.822 38.487 -0.642 0.000 1.148 406 N HN 0.804 nan 8.380 nan 0.000 0.509 407 S N 1.545 117.129 115.700 -0.193 0.000 2.399 407 S HA -0.123 4.348 4.470 0.001 0.000 0.231 407 S C 1.820 176.362 174.600 -0.096 0.000 1.022 407 S CA 0.248 58.385 58.200 -0.105 0.000 0.983 407 S CB -0.458 62.745 63.200 0.006 0.000 0.803 407 S HN 0.775 nan 8.310 nan 0.000 0.480 408 W N 1.519 122.755 121.300 -0.106 0.000 2.342 408 W HA -0.064 4.597 4.660 0.001 0.000 0.297 408 W C 1.750 178.200 176.519 -0.115 0.000 1.213 408 W CA 0.602 57.861 57.345 -0.143 0.000 1.251 408 W CB -1.090 28.014 29.460 -0.594 0.000 1.136 408 W HN 0.374 nan 8.180 nan 0.000 0.526 409 L N 2.946 123.516 121.223 -1.088 0.000 2.056 409 L HA 0.148 4.489 4.340 0.001 0.000 0.207 409 L C 2.634 179.301 176.870 -0.339 0.000 1.078 409 L CA 2.833 57.123 54.840 -0.917 0.000 0.749 409 L CB -1.386 39.876 42.059 -1.330 0.000 0.901 409 L HN 0.037 nan 8.230 nan 0.000 0.433 410 G N -0.649 107.971 108.800 -0.300 0.000 2.422 410 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 410 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 410 G C 1.469 176.364 174.900 -0.008 0.000 1.146 410 G CA 0.762 45.773 45.100 -0.149 0.000 0.769 410 G HN 0.446 nan 8.290 nan 0.000 0.547 411 N N 0.563 119.318 118.700 0.093 0.000 2.188 411 N HA -0.003 4.738 4.740 0.001 0.000 0.184 411 N C 2.275 177.915 175.510 0.217 0.000 1.018 411 N CA 0.576 53.802 53.050 0.293 0.000 0.858 411 N CB -0.157 38.568 38.487 0.398 0.000 0.989 411 N HN 0.331 nan 8.380 nan 0.000 0.426 412 I N 1.081 121.746 120.570 0.158 0.000 2.163 412 I HA -0.250 3.920 4.170 0.001 0.000 0.243 412 I C 2.043 178.200 176.117 0.066 0.000 1.085 412 I CA 1.040 62.414 61.300 0.123 0.000 1.347 412 I CB -0.223 37.918 38.000 0.235 0.000 1.044 412 I HN 0.053 nan 8.210 nan 0.000 0.408 413 I N -0.060 120.551 120.570 0.068 0.000 2.226 413 I HA -0.290 3.881 4.170 0.001 0.000 0.245 413 I C 2.488 178.676 176.117 0.119 0.000 1.100 413 I CA 1.191 62.555 61.300 0.106 0.000 1.374 413 I CB -0.211 37.840 38.000 0.085 0.000 1.057 413 I HN 0.243 nan 8.210 nan 0.000 0.413 414 M N -0.785 118.805 119.600 -0.015 0.000 2.288 414 M HA -0.088 4.393 4.480 0.001 0.000 0.266 414 M C 1.077 177.147 176.300 -0.384 0.000 1.072 414 M CA 1.641 56.815 55.300 -0.211 0.000 1.132 414 M CB -0.696 31.655 32.600 -0.415 0.000 1.386 414 M HN 0.185 nan 8.290 nan 0.000 0.432 415 Y N -0.618 119.663 120.300 -0.033 0.000 2.720 415 Y HA 0.481 5.032 4.550 0.002 0.000 0.268 415 Y C 1.809 177.453 175.900 -0.428 0.000 1.142 415 Y CA -0.365 57.611 58.100 -0.206 0.000 1.193 415 Y CB -0.863 37.409 38.460 -0.312 0.000 1.176 415 Y HN 0.154 nan 8.280 nan 0.000 0.542 416 A N 0.840 123.439 122.820 -0.367 0.000 1.986 416 A HA -0.160 4.161 4.320 0.001 0.000 0.220 416 A C -0.472 176.829 177.584 -0.472 0.000 1.171 416 A CA 1.651 53.439 52.037 -0.415 0.000 0.640 416 A CB -1.269 17.476 19.000 -0.425 0.000 0.811 416 A HN 0.272 nan 8.150 nan 0.000 0.451 417 P HA 0.018 nan 4.420 nan 0.000 0.229 417 P C 0.675 177.710 177.300 -0.441 0.000 1.160 417 P CA 1.224 64.063 63.100 -0.435 0.000 0.777 417 P CB -0.324 31.175 31.700 -0.336 0.000 0.814 418 T N -2.554 111.738 114.554 -0.437 0.000 2.913 418 T HA 0.136 4.487 4.350 0.001 0.000 0.297 418 T C 1.151 175.445 174.700 -0.678 0.000 1.029 418 T CA -0.604 61.179 62.100 -0.528 0.000 1.104 418 T CB 0.729 69.067 68.868 -0.883 0.000 0.964 418 T HN -0.101 nan 8.240 nan 0.000 0.532 419 L N 2.319 123.062 121.223 -0.799 0.000 2.083 419 L HA 0.019 4.359 4.340 0.001 0.000 0.209 419 L C 2.409 178.966 176.870 -0.521 0.000 1.083 419 L CA 1.437 55.808 54.840 -0.782 0.000 0.752 419 L CB -0.477 41.002 42.059 -0.966 0.000 0.899 419 L HN 0.920 nan 8.230 nan 0.000 0.433 420 W N -0.638 120.440 121.300 -0.369 0.000 2.418 420 W HA 0.057 4.718 4.660 0.002 0.000 0.292 420 W C 2.062 178.433 176.519 -0.247 0.000 1.213 420 W CA 0.643 57.810 57.345 -0.297 0.000 1.283 420 W CB -1.281 28.048 29.460 -0.219 0.000 1.119 420 W HN 0.272 nan 8.180 nan 0.000 0.542 421 A N 1.938 124.310 122.820 -0.745 0.000 1.898 421 A HA -0.126 4.195 4.320 0.001 0.000 0.216 421 A C 2.253 179.670 177.584 -0.278 0.000 1.181 421 A CA 1.740 53.477 52.037 -0.501 0.000 0.620 421 A CB -0.764 17.798 19.000 -0.731 0.000 0.819 421 A HN 0.292 nan 8.150 nan 0.000 0.442 422 R N -1.282 118.979 120.500 -0.399 0.000 2.066 422 R HA -0.019 4.322 4.340 0.001 0.000 0.232 422 R C 2.385 178.496 176.300 -0.316 0.000 1.131 422 R CA 1.628 57.522 56.100 -0.344 0.000 0.955 422 R CB -0.397 29.565 30.300 -0.563 0.000 0.851 422 R HN 0.648 nan 8.270 nan 0.000 0.432 423 M N 0.239 119.501 119.600 -0.563 0.000 2.099 423 M HA -0.105 4.376 4.480 0.001 0.000 0.262 423 M C 1.704 177.752 176.300 -0.419 0.000 1.067 423 M CA 1.841 56.813 55.300 -0.547 0.000 1.124 423 M CB 0.211 32.476 32.600 -0.558 0.000 1.353 423 M HN 0.104 nan 8.290 nan 0.000 0.410 424 I N -0.921 119.311 120.570 -0.564 0.000 2.899 424 I HA -0.104 4.067 4.170 0.001 0.000 0.257 424 I C 2.023 177.896 176.117 -0.406 0.000 1.115 424 I CA 0.230 60.945 61.300 -0.975 0.000 1.451 424 I CB -0.138 37.403 38.000 -0.765 0.000 1.251 424 I HN 0.235 nan 8.210 nan 0.000 0.456 425 L N 0.180 121.378 121.223 -0.042 0.000 2.023 425 L HA -0.151 4.190 4.340 0.001 0.000 0.205 425 L C 2.662 179.788 176.870 0.427 0.000 1.073 425 L CA 1.473 56.484 54.840 0.286 0.000 0.745 425 L CB -0.456 41.838 42.059 0.392 0.000 0.900 425 L HN 0.239 nan 8.230 nan 0.000 0.435 426 M N -0.685 119.130 119.600 0.359 0.000 2.065 426 M HA -0.203 4.278 4.480 0.001 0.000 0.259 426 M C 2.356 179.083 176.300 0.713 0.000 1.069 426 M CA 2.132 57.742 55.300 0.516 0.000 1.110 426 M CB -0.759 31.959 32.600 0.197 0.000 1.328 426 M HN 0.258 nan 8.290 nan 0.000 0.405 427 T N -1.244 113.697 114.554 0.644 0.000 2.652 427 T HA -0.244 4.107 4.350 0.001 0.000 0.267 427 T C 1.658 176.585 174.700 0.379 0.000 1.039 427 T CA 2.035 64.492 62.100 0.595 0.000 1.153 427 T CB -0.594 68.622 68.868 0.580 0.000 0.863 427 T HN 0.481 nan 8.240 nan 0.000 0.428 428 H N 0.120 119.266 119.070 0.126 0.000 2.319 428 H HA -0.060 4.497 4.556 0.001 0.000 0.299 428 H C 1.747 176.898 175.328 -0.295 0.000 1.092 428 H CA 1.790 57.784 56.048 -0.091 0.000 1.302 428 H CB -0.352 29.185 29.762 -0.375 0.000 1.373 428 H HN 0.353 nan 8.280 nan 0.000 0.497 429 F N -1.487 118.457 119.950 -0.010 0.000 2.416 429 F HA 0.057 4.584 4.527 0.001 0.000 0.296 429 F C 1.795 177.460 175.800 -0.225 0.000 1.099 429 F CA 0.296 58.076 58.000 -0.366 0.000 1.427 429 F CB -0.374 38.031 39.000 -0.991 0.000 1.079 429 F HN 0.136 nan 8.300 nan 0.000 0.536 430 F N -0.602 119.444 119.950 0.161 0.000 2.325 430 F HA -0.146 4.382 4.527 0.001 0.000 0.299 430 F C 2.679 178.509 175.800 0.048 0.000 1.090 430 F CA 1.268 59.372 58.000 0.174 0.000 1.392 430 F CB -0.746 38.456 39.000 0.337 0.000 1.053 430 F HN -0.104 nan 8.300 nan 0.000 0.521 431 S N 0.457 116.236 115.700 0.132 0.000 2.356 431 S HA -0.175 4.296 4.470 0.001 0.000 0.223 431 S C 2.114 176.668 174.600 -0.076 0.000 1.032 431 S CA 1.517 59.713 58.200 -0.007 0.000 1.005 431 S CB -0.407 62.756 63.200 -0.062 0.000 0.867 431 S HN 0.330 nan 8.310 nan 0.000 0.449 432 I N 1.154 121.623 120.570 -0.168 0.000 2.353 432 I HA -0.115 4.055 4.170 0.001 0.000 0.248 432 I C 2.149 178.220 176.117 -0.076 0.000 1.119 432 I CA 0.819 62.020 61.300 -0.165 0.000 1.417 432 I CB -0.297 37.553 38.000 -0.251 0.000 1.078 432 I HN 0.292 nan 8.210 nan 0.000 0.421 433 L N 0.152 121.340 121.223 -0.060 0.000 2.083 433 L HA -0.211 4.130 4.340 0.001 0.000 0.209 433 L C 2.516 179.391 176.870 0.007 0.000 1.083 433 L CA 1.276 56.098 54.840 -0.030 0.000 0.752 433 L CB -0.423 41.582 42.059 -0.090 0.000 0.899 433 L HN 0.288 nan 8.230 nan 0.000 0.433 434 L N -0.485 120.754 121.223 0.027 0.000 2.056 434 L HA -0.165 4.176 4.340 0.001 0.000 0.207 434 L C 2.734 179.610 176.870 0.011 0.000 1.078 434 L CA 1.168 56.031 54.840 0.038 0.000 0.749 434 L CB -0.510 41.580 42.059 0.051 0.000 0.901 434 L HN 0.228 nan 8.230 nan 0.000 0.433 435 A N -1.182 121.631 122.820 -0.012 0.000 2.067 435 A HA -0.107 4.213 4.320 0.001 0.000 0.217 435 A C 1.947 179.523 177.584 -0.013 0.000 1.156 435 A CA 0.809 52.834 52.037 -0.021 0.000 0.683 435 A CB -0.058 18.915 19.000 -0.044 0.000 0.808 435 A HN 0.399 nan 8.150 nan 0.000 0.455 436 Q N -0.383 119.412 119.800 -0.008 0.000 2.282 436 Q HA 0.098 4.439 4.340 0.001 0.000 0.206 436 Q C -0.631 175.381 176.000 0.020 0.000 0.878 436 Q CA 0.326 56.133 55.803 0.006 0.000 0.944 436 Q CB 0.004 28.748 28.738 0.010 0.000 1.100 436 Q HN 0.772 nan 8.270 nan 0.000 0.509 437 E N 0.898 121.110 120.200 0.020 0.000 2.271 437 E HA -0.238 4.113 4.350 0.001 0.000 0.223 437 E C -0.389 176.234 176.600 0.039 0.000 1.223 437 E CA 0.291 56.709 56.400 0.030 0.000 0.704 437 E CB -1.402 28.313 29.700 0.026 0.000 1.194 437 E HN 0.430 nan 8.360 nan 0.000 0.375 438 Q N -0.186 119.638 119.800 0.041 0.000 2.129 438 Q HA 0.237 4.578 4.340 0.001 0.000 0.274 438 Q C 1.422 177.453 176.000 0.051 0.000 0.854 438 Q CA -0.236 55.597 55.803 0.051 0.000 1.123 438 Q CB 0.527 29.303 28.738 0.063 0.000 1.226 438 Q HN 0.374 nan 8.270 nan 0.000 0.454 439 L N 0.159 121.412 121.223 0.051 0.000 2.275 439 L HA -0.143 4.198 4.340 0.001 0.000 0.215 439 L C 1.841 178.752 176.870 0.070 0.000 1.119 439 L CA 1.103 55.977 54.840 0.056 0.000 0.790 439 L CB -0.002 42.115 42.059 0.098 0.000 0.919 439 L HN 0.334 nan 8.230 nan 0.000 0.443 440 E N 0.037 120.278 120.200 0.067 0.000 2.318 440 E HA -0.068 4.283 4.350 0.001 0.000 0.193 440 E C 0.816 177.456 176.600 0.067 0.000 0.998 440 E CA 0.083 56.524 56.400 0.067 0.000 0.859 440 E CB 0.233 29.969 29.700 0.059 0.000 0.812 440 E HN 0.288 nan 8.360 nan 0.000 0.492 441 K N 1.966 122.408 120.400 0.069 0.000 2.349 441 K HA 0.254 4.575 4.320 0.001 0.000 0.289 441 K C -0.409 176.239 176.600 0.079 0.000 1.064 441 K CA -0.232 56.099 56.287 0.075 0.000 0.947 441 K CB 0.669 33.219 32.500 0.083 0.000 1.007 441 K HN -0.135 nan 8.250 nan 0.000 0.478 442 A N 5.009 127.874 122.820 0.075 0.000 2.445 442 A HA 0.334 4.655 4.320 0.001 0.000 0.242 442 A C -0.418 177.209 177.584 0.071 0.000 1.075 442 A CA -0.126 51.954 52.037 0.072 0.000 0.777 442 A CB 0.221 19.267 19.000 0.076 0.000 1.013 442 A HN 0.786 nan 8.150 nan 0.000 0.493 443 L N 0.852 122.101 121.223 0.044 0.000 2.350 443 L HA 0.422 4.763 4.340 0.001 0.000 0.260 443 L C -1.153 175.709 176.870 -0.013 0.000 1.015 443 L CA -1.067 53.785 54.840 0.020 0.000 0.821 443 L CB 2.269 44.315 42.059 -0.022 0.000 1.370 443 L HN 0.560 nan 8.230 nan 0.000 0.416 444 D N 1.059 121.453 120.400 -0.010 0.000 2.232 444 D HA 0.502 5.143 4.640 0.001 0.000 0.242 444 D C -0.678 175.561 176.300 -0.101 0.000 1.093 444 D CA -0.022 53.970 54.000 -0.013 0.000 0.845 444 D CB 1.471 42.306 40.800 0.058 0.000 1.124 444 D HN 0.573 nan 8.370 nan 0.000 0.467 445 C N 0.882 120.111 119.300 -0.118 0.000 3.080 445 C HA 0.640 5.101 4.460 0.001 0.000 0.307 445 C C -0.833 174.095 174.990 -0.103 0.000 1.311 445 C CA -1.011 57.909 59.018 -0.163 0.000 1.533 445 C CB 1.910 29.492 27.740 -0.262 0.000 1.970 445 C HN 0.374 nan 8.230 nan 0.000 0.467 446 Q N 1.124 120.867 119.800 -0.095 0.000 2.257 446 Q HA 0.623 4.964 4.340 0.001 0.000 0.255 446 Q C -0.937 175.007 176.000 -0.094 0.000 0.920 446 Q CA -0.011 55.762 55.803 -0.049 0.000 0.927 446 Q CB 1.960 30.684 28.738 -0.022 0.000 1.229 446 Q HN 0.808 nan 8.270 nan 0.000 0.433 447 I N 3.050 123.565 120.570 -0.092 0.000 2.439 447 I HA 0.151 4.322 4.170 0.001 0.000 0.283 447 I C -0.861 175.240 176.117 -0.026 0.000 1.023 447 I CA -0.813 60.335 61.300 -0.253 0.000 1.100 447 I CB 0.834 38.356 38.000 -0.797 0.000 1.238 447 I HN 0.523 nan 8.210 nan 0.000 0.445 448 Y N 4.984 125.300 120.300 0.027 0.000 3.589 448 Y HA -0.245 4.305 4.550 0.001 0.000 0.218 448 Y C 1.438 177.309 175.900 -0.049 0.000 1.234 448 Y CA 1.056 59.169 58.100 0.022 0.000 1.576 448 Y CB -1.924 36.548 38.460 0.021 0.000 1.487 448 Y HN 0.966 nan 8.280 nan 0.000 0.616 449 G N -2.137 106.746 108.800 0.139 0.000 2.225 449 G HA2 0.007 3.968 3.960 0.001 0.000 0.254 449 G HA3 0.007 3.968 3.960 0.001 0.000 0.254 449 G C 0.426 175.358 174.900 0.052 0.000 0.988 449 G CA 0.237 45.382 45.100 0.074 0.000 0.625 449 G HN 1.576 nan 8.290 nan 0.000 0.527 450 A N -0.682 122.175 122.820 0.062 0.000 2.303 450 A HA 0.677 4.998 4.320 0.001 0.000 0.317 450 A C 0.560 178.041 177.584 -0.172 0.000 1.149 450 A CA 0.355 52.311 52.037 -0.134 0.000 0.822 450 A CB 1.173 20.028 19.000 -0.242 0.000 1.131 450 A HN 1.539 nan 8.150 nan 0.000 0.493 451 C N 2.156 121.257 119.300 -0.332 0.000 2.307 451 C HA 0.748 5.208 4.460 0.001 0.000 0.340 451 C C -0.951 173.698 174.990 -0.568 0.000 1.275 451 C CA -0.475 58.394 59.018 -0.248 0.000 1.811 451 C CB -1.461 26.249 27.740 -0.050 0.000 2.372 451 C HN 0.648 nan 8.230 nan 0.000 0.531 452 Y N 2.996 123.067 120.300 -0.382 0.000 2.446 452 Y HA 0.450 5.001 4.550 0.001 0.000 0.345 452 Y C 0.461 176.193 175.900 -0.279 0.000 0.984 452 Y CA -0.356 57.486 58.100 -0.430 0.000 1.058 452 Y CB 1.836 40.003 38.460 -0.487 0.000 1.220 452 Y HN 0.603 nan 8.280 nan 0.000 0.455 453 S N 4.070 119.716 115.700 -0.090 0.000 2.422 453 S HA 0.665 5.136 4.470 0.001 0.000 0.298 453 S C -0.917 173.724 174.600 0.068 0.000 1.118 453 S CA -0.306 57.907 58.200 0.022 0.000 1.083 453 S CB -0.394 62.849 63.200 0.073 0.000 0.971 453 S HN 0.538 nan 8.310 nan 0.000 0.478 454 I N 3.778 124.379 120.570 0.052 0.000 2.608 454 I HA 0.370 4.541 4.170 0.001 0.000 0.295 454 I C -0.253 175.902 176.117 0.063 0.000 1.049 454 I CA -0.697 60.650 61.300 0.078 0.000 1.063 454 I CB 2.272 40.307 38.000 0.059 0.000 1.248 454 I HN 0.559 nan 8.210 nan 0.000 0.424 455 E N 6.663 126.915 120.200 0.087 0.000 2.130 455 E HA 0.185 4.536 4.350 0.001 0.000 0.284 455 E C -1.832 174.830 176.600 0.103 0.000 1.018 455 E CA -1.576 54.875 56.400 0.086 0.000 0.817 455 E CB 1.294 31.045 29.700 0.086 0.000 1.078 455 E HN 0.313 nan 8.360 nan 0.000 0.396 456 P HA -0.169 nan 4.420 nan 0.000 0.217 456 P C 0.965 178.411 177.300 0.243 0.000 1.148 456 P CA 1.057 64.233 63.100 0.127 0.000 0.828 456 P CB 0.230 31.938 31.700 0.012 0.000 0.783 457 L N -1.026 120.318 121.223 0.201 0.000 2.622 457 L HA -0.062 4.279 4.340 0.001 0.000 0.233 457 L C 1.215 178.190 176.870 0.176 0.000 1.156 457 L CA 0.948 55.928 54.840 0.234 0.000 0.866 457 L CB -0.498 41.662 42.059 0.168 0.000 0.980 457 L HN -0.040 nan 8.230 nan 0.000 0.448 458 D N -0.638 119.854 120.400 0.153 0.000 2.360 458 D HA 0.045 4.685 4.640 0.001 0.000 0.210 458 D C 2.254 178.624 176.300 0.116 0.000 1.047 458 D CA 0.157 54.219 54.000 0.103 0.000 0.854 458 D CB 0.434 41.281 40.800 0.078 0.000 0.936 458 D HN 0.226 nan 8.370 nan 0.000 0.514 459 L N 1.215 122.552 121.223 0.190 0.000 2.051 459 L HA -0.199 4.142 4.340 0.001 0.000 0.214 459 L C -0.517 176.463 176.870 0.183 0.000 1.076 459 L CA 1.733 56.700 54.840 0.212 0.000 0.758 459 L CB -1.506 40.748 42.059 0.325 0.000 0.890 459 L HN 0.077 nan 8.230 nan 0.000 0.433 460 P HA -0.190 nan 4.420 nan 0.000 0.214 460 P C 1.451 178.823 177.300 0.119 0.000 1.163 460 P CA 1.323 64.484 63.100 0.102 0.000 0.883 460 P CB -0.006 31.578 31.700 -0.194 0.000 0.788 461 Q N -0.641 119.158 119.800 -0.001 0.000 2.061 461 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 461 Q C 2.242 178.235 176.000 -0.010 0.000 0.984 461 Q CA 1.380 57.167 55.803 -0.027 0.000 0.846 461 Q CB -0.838 27.869 28.738 -0.051 0.000 0.902 461 Q HN 0.260 nan 8.270 nan 0.000 0.421 462 I N 0.513 121.085 120.570 0.004 0.000 2.163 462 I HA -0.300 3.871 4.170 0.001 0.000 0.243 462 I C 2.257 178.396 176.117 0.035 0.000 1.085 462 I CA 1.273 62.556 61.300 -0.029 0.000 1.347 462 I CB -0.310 37.719 38.000 0.048 0.000 1.044 462 I HN 0.223 nan 8.210 nan 0.000 0.408 463 I N 0.337 120.980 120.570 0.121 0.000 2.252 463 I HA -0.277 3.893 4.170 0.001 0.000 0.245 463 I C 2.618 178.739 176.117 0.007 0.000 1.102 463 I CA 1.365 62.743 61.300 0.130 0.000 1.385 463 I CB -0.422 37.640 38.000 0.103 0.000 1.064 463 I HN 0.322 nan 8.210 nan 0.000 0.414 464 E N 1.015 121.232 120.200 0.029 0.000 2.153 464 E HA -0.216 4.135 4.350 0.001 0.000 0.194 464 E C 2.330 178.905 176.600 -0.041 0.000 0.988 464 E CA 0.832 57.223 56.400 -0.014 0.000 0.811 464 E CB 0.166 29.934 29.700 0.112 0.000 0.746 464 E HN 0.276 nan 8.360 nan 0.000 0.466 465 R N 0.068 120.536 120.500 -0.053 0.000 2.090 465 R HA -0.017 4.324 4.340 0.001 0.000 0.228 465 R C 2.363 178.591 176.300 -0.121 0.000 1.110 465 R CA 0.703 56.748 56.100 -0.091 0.000 0.973 465 R CB -0.206 30.014 30.300 -0.134 0.000 0.869 465 R HN 0.333 nan 8.270 nan 0.000 0.440 466 L N -1.174 119.959 121.223 -0.151 0.000 2.249 466 L HA 0.014 4.355 4.340 0.001 0.000 0.207 466 L C 1.710 178.291 176.870 -0.482 0.000 1.090 466 L CA 0.833 55.478 54.840 -0.324 0.000 0.802 466 L CB -0.252 41.580 42.059 -0.379 0.000 0.947 466 L HN 0.215 nan 8.230 nan 0.000 0.453 467 H N -0.569 118.420 119.070 -0.136 0.000 3.058 467 H HA 0.297 4.853 4.556 0.001 0.000 0.258 467 H C 0.915 176.145 175.328 -0.164 0.000 1.015 467 H CA 0.737 56.692 56.048 -0.155 0.000 1.210 467 H CB 1.166 30.808 29.762 -0.200 0.000 1.481 467 H HN 0.274 nan 8.280 nan 0.000 0.492 468 G N 1.150 109.911 108.800 -0.066 0.000 2.781 468 G HA2 -0.244 3.717 3.960 0.001 0.000 0.683 468 G HA3 -0.244 3.717 3.960 0.001 0.000 0.683 468 G C 0.683 175.498 174.900 -0.142 0.000 1.390 468 G CA -0.144 44.914 45.100 -0.070 0.000 0.850 468 G HN 0.235 nan 8.290 nan 0.000 0.557 469 L N 1.119 122.326 121.223 -0.027 0.000 2.353 469 L HA -0.101 4.239 4.340 0.001 0.000 0.220 469 L C 3.156 180.031 176.870 0.008 0.000 1.133 469 L CA 2.021 56.910 54.840 0.082 0.000 0.798 469 L CB -0.474 41.713 42.059 0.214 0.000 0.922 469 L HN 0.895 nan 8.230 nan 0.000 0.445 470 S N 0.076 115.743 115.700 -0.055 0.000 2.382 470 S HA -0.194 4.277 4.470 0.001 0.000 0.228 470 S C 2.171 176.695 174.600 -0.126 0.000 1.027 470 S CA 0.819 58.987 58.200 -0.053 0.000 0.991 470 S CB -0.427 62.738 63.200 -0.059 0.000 0.823 470 S HN 0.367 nan 8.310 nan 0.000 0.469 471 A N 0.558 123.207 122.820 -0.285 0.000 2.131 471 A HA 0.117 4.438 4.320 0.001 0.000 0.220 471 A C 1.528 178.947 177.584 -0.276 0.000 1.158 471 A CA 1.079 52.889 52.037 -0.378 0.000 0.665 471 A CB -0.890 17.783 19.000 -0.545 0.000 0.795 471 A HN 0.590 nan 8.150 nan 0.000 0.460 472 F N -0.188 119.780 119.950 0.031 0.000 2.765 472 F HA 0.138 4.666 4.527 0.001 0.000 0.302 472 F C 1.638 177.488 175.800 0.085 0.000 1.111 472 F CA 0.421 58.467 58.000 0.077 0.000 1.359 472 F CB 0.075 39.163 39.000 0.147 0.000 1.097 472 F HN 0.263 nan 8.300 nan 0.000 0.577 473 S N -1.065 114.748 115.700 0.187 0.000 3.093 473 S HA 0.308 4.778 4.470 0.001 0.000 0.251 473 S C -0.302 174.377 174.600 0.131 0.000 0.905 473 S CA -0.486 57.813 58.200 0.165 0.000 1.124 473 S CB -0.859 62.430 63.200 0.148 0.000 1.124 473 S HN 0.015 nan 8.310 nan 0.000 0.574 474 L N 3.086 124.312 121.223 0.006 0.000 2.426 474 L HA 0.538 4.879 4.340 0.001 0.000 0.271 474 L C 0.565 177.354 176.870 -0.135 0.000 1.169 474 L CA 0.030 54.757 54.840 -0.189 0.000 0.836 474 L CB 0.205 42.005 42.059 -0.431 0.000 1.112 474 L HN 0.767 nan 8.230 nan 0.000 0.465 475 H N -1.261 117.570 119.070 -0.397 0.000 2.902 475 H HA 0.280 4.837 4.556 0.001 0.000 0.297 475 H C -0.243 174.955 175.328 -0.217 0.000 1.406 475 H CA -0.623 55.283 56.048 -0.236 0.000 1.134 475 H CB 0.793 30.541 29.762 -0.024 0.000 1.833 475 H HN 0.470 nan 8.280 nan 0.000 0.527 476 S N -1.509 114.197 115.700 0.011 0.000 3.405 476 S HA -0.283 4.188 4.470 0.001 0.000 0.373 476 S C -0.471 174.124 174.600 -0.009 0.000 0.939 476 S CA 0.650 58.864 58.200 0.022 0.000 1.295 476 S CB -3.012 60.152 63.200 -0.061 0.000 0.919 476 S HN 0.604 nan 8.310 nan 0.000 0.535 477 Y N 1.897 122.223 120.300 0.043 0.000 2.335 477 Y HA 0.391 4.942 4.550 0.002 0.000 0.348 477 Y C 1.572 177.517 175.900 0.076 0.000 1.280 477 Y CA 0.283 58.419 58.100 0.059 0.000 1.504 477 Y CB 0.379 38.871 38.460 0.054 0.000 1.366 477 Y HN 0.746 nan 8.280 nan 0.000 0.621 478 S N 2.501 118.355 115.700 0.256 0.000 2.564 478 S HA 0.108 4.579 4.470 0.001 0.000 0.278 478 S C -1.793 172.889 174.600 0.137 0.000 1.333 478 S CA -1.153 57.139 58.200 0.153 0.000 1.048 478 S CB 1.145 64.414 63.200 0.115 0.000 0.900 478 S HN 0.501 nan 8.310 nan 0.000 0.505 479 P HA -0.026 nan 4.420 nan 0.000 0.218 479 P C 1.624 178.961 177.300 0.061 0.000 1.148 479 P CA 1.650 64.795 63.100 0.076 0.000 0.822 479 P CB -0.544 31.191 31.700 0.058 0.000 0.784 480 G N 0.511 109.344 108.800 0.055 0.000 2.418 480 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 480 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 480 G C 1.683 176.608 174.900 0.042 0.000 1.158 480 G CA 0.926 46.049 45.100 0.039 0.000 0.771 480 G HN 0.304 nan 8.290 nan 0.000 0.545 481 E N 0.868 121.112 120.200 0.073 0.000 2.072 481 E HA -0.103 4.248 4.350 0.001 0.000 0.190 481 E C 2.299 178.936 176.600 0.062 0.000 0.982 481 E CA 1.224 57.677 56.400 0.088 0.000 0.803 481 E CB -0.409 29.398 29.700 0.178 0.000 0.755 481 E HN 0.508 nan 8.360 nan 0.000 0.453 482 I N -0.927 119.681 120.570 0.064 0.000 2.876 482 I HA 0.057 4.228 4.170 0.001 0.000 0.264 482 I C 1.401 177.529 176.117 0.019 0.000 1.204 482 I CA 1.153 62.469 61.300 0.026 0.000 1.485 482 I CB -0.360 37.661 38.000 0.035 0.000 1.103 482 I HN 0.015 nan 8.210 nan 0.000 0.446 483 N N 1.042 119.758 118.700 0.026 0.000 2.188 483 N HA -0.173 4.567 4.740 0.001 0.000 0.184 483 N C 1.984 177.493 175.510 -0.001 0.000 1.018 483 N CA 1.091 54.150 53.050 0.016 0.000 0.858 483 N CB -0.213 38.285 38.487 0.020 0.000 0.989 483 N HN 0.383 nan 8.380 nan 0.000 0.426 484 R N 1.076 121.571 120.500 -0.010 0.000 2.070 484 R HA -0.107 4.234 4.340 0.001 0.000 0.233 484 R C 1.902 178.164 176.300 -0.064 0.000 1.137 484 R CA 1.200 57.277 56.100 -0.039 0.000 0.945 484 R CB -0.392 29.878 30.300 -0.051 0.000 0.845 484 R HN 0.001 nan 8.270 nan 0.000 0.430 485 V N 1.317 121.193 119.914 -0.064 0.000 2.252 485 V HA -0.307 3.814 4.120 0.001 0.000 0.249 485 V C 2.535 178.606 176.094 -0.040 0.000 1.056 485 V CA 2.082 64.335 62.300 -0.078 0.000 1.022 485 V CB -1.007 30.796 31.823 -0.034 0.000 0.641 485 V HN 0.615 nan 8.190 nan 0.000 0.445 486 A N -0.232 122.581 122.820 -0.012 0.000 1.892 486 A HA -0.272 4.049 4.320 0.001 0.000 0.218 486 A C 2.466 180.053 177.584 0.005 0.000 1.188 486 A CA 2.625 54.666 52.037 0.007 0.000 0.631 486 A CB -0.830 18.179 19.000 0.016 0.000 0.822 486 A HN 0.548 nan 8.150 nan 0.000 0.447 487 S N -1.425 114.272 115.700 -0.006 0.000 2.383 487 S HA -0.196 4.275 4.470 0.001 0.000 0.227 487 S C 2.025 176.621 174.600 -0.006 0.000 1.026 487 S CA 1.119 59.318 58.200 -0.002 0.000 0.981 487 S CB -0.930 62.264 63.200 -0.009 0.000 0.818 487 S HN 0.792 nan 8.310 nan 0.000 0.472 488 C N 2.107 121.387 119.300 -0.034 0.000 2.432 488 C HA -0.006 4.455 4.460 0.001 0.000 0.277 488 C C 2.435 177.417 174.990 -0.014 0.000 1.249 488 C CA 0.627 59.618 59.018 -0.045 0.000 1.725 488 C CB -1.599 26.073 27.740 -0.114 0.000 2.028 488 C HN 0.571 nan 8.230 nan 0.000 0.477 489 L N 0.239 121.460 121.223 -0.004 0.000 2.046 489 L HA -0.105 4.236 4.340 0.001 0.000 0.208 489 L C 3.030 179.910 176.870 0.016 0.000 1.077 489 L CA 1.614 56.467 54.840 0.021 0.000 0.747 489 L CB -0.831 41.260 42.059 0.054 0.000 0.896 489 L HN 0.348 nan 8.230 nan 0.000 0.432 490 R N 0.355 120.874 120.500 0.031 0.000 2.081 490 R HA -0.193 4.147 4.340 0.001 0.000 0.235 490 R C 2.382 178.747 176.300 0.107 0.000 1.131 490 R CA 1.507 57.641 56.100 0.056 0.000 0.960 490 R CB -0.264 30.068 30.300 0.053 0.000 0.856 490 R HN 0.297 nan 8.270 nan 0.000 0.436 491 K N 0.500 120.957 120.400 0.093 0.000 2.097 491 K HA -0.122 4.199 4.320 0.001 0.000 0.205 491 K C 1.558 178.304 176.600 0.245 0.000 1.050 491 K CA 1.084 57.458 56.287 0.144 0.000 0.938 491 K CB 0.156 32.703 32.500 0.078 0.000 0.718 491 K HN 0.016 nan 8.250 nan 0.000 0.442 492 L N 0.135 121.419 121.223 0.101 0.000 2.446 492 L HA 0.216 4.557 4.340 0.001 0.000 0.219 492 L C 0.846 177.549 176.870 -0.279 0.000 1.116 492 L CA 1.316 56.184 54.840 0.046 0.000 0.844 492 L CB 0.114 42.187 42.059 0.024 0.000 0.970 492 L HN 0.483 nan 8.230 nan 0.000 0.457 493 G N 0.260 108.803 108.800 -0.428 0.000 2.341 493 G HA2 -0.175 3.786 3.960 0.001 0.000 0.278 493 G HA3 -0.175 3.786 3.960 0.001 0.000 0.278 493 G C -0.213 174.547 174.900 -0.233 0.000 1.111 493 G CA 0.151 44.873 45.100 -0.630 0.000 0.982 493 G HN 0.081 nan 8.290 nan 0.000 0.502 494 V N 0.661 120.530 119.914 -0.076 0.000 2.483 494 V HA 0.566 4.687 4.120 0.001 0.000 0.295 494 V C -1.491 174.652 176.094 0.081 0.000 1.035 494 V CA -1.860 60.474 62.300 0.056 0.000 0.896 494 V CB 1.952 33.863 31.823 0.147 0.000 0.986 494 V HN 0.230 nan 8.190 nan 0.000 0.447 495 P HA 0.180 nan 4.420 nan 0.000 0.267 495 P C -2.508 174.849 177.300 0.096 0.000 1.200 495 P CA -0.740 62.306 63.100 -0.090 0.000 0.772 495 P CB -0.081 31.345 31.700 -0.457 0.000 0.855 496 P HA 0.055 nan 4.420 nan 0.000 0.277 496 P C 0.802 178.240 177.300 0.230 0.000 1.271 496 P CA -0.455 62.732 63.100 0.144 0.000 0.795 496 P CB 0.648 32.383 31.700 0.058 0.000 1.101 497 L N 0.964 122.327 121.223 0.233 0.000 2.051 497 L HA -0.197 4.144 4.340 0.001 0.000 0.214 497 L C 2.774 179.761 176.870 0.196 0.000 1.076 497 L CA 1.992 56.989 54.840 0.261 0.000 0.758 497 L CB -1.045 41.111 42.059 0.162 0.000 0.890 497 L HN 0.363 nan 8.230 nan 0.000 0.433 498 R N -1.085 119.452 120.500 0.061 0.000 2.103 498 R HA -0.166 4.175 4.340 0.001 0.000 0.242 498 R C 2.024 178.191 176.300 -0.220 0.000 1.142 498 R CA 2.178 58.234 56.100 -0.072 0.000 0.960 498 R CB -0.310 29.935 30.300 -0.092 0.000 0.858 498 R HN 0.411 nan 8.270 nan 0.000 0.439 499 V N -0.816 118.987 119.914 -0.185 0.000 2.323 499 V HA -0.206 3.915 4.120 0.001 0.000 0.244 499 V C 1.803 177.792 176.094 -0.175 0.000 1.041 499 V CA 1.741 63.871 62.300 -0.282 0.000 1.025 499 V CB -0.625 30.964 31.823 -0.390 0.000 0.656 499 V HN 0.467 nan 8.190 nan 0.000 0.451 500 W N 0.347 121.686 121.300 0.065 0.000 2.374 500 W HA -0.161 4.500 4.660 0.001 0.000 0.288 500 W C 2.736 179.401 176.519 0.242 0.000 1.218 500 W CA 1.458 58.907 57.345 0.173 0.000 1.245 500 W CB -0.197 29.395 29.460 0.219 0.000 1.126 500 W HN 0.097 nan 8.180 nan 0.000 0.545 501 R N -0.252 120.489 120.500 0.403 0.000 2.081 501 R HA -0.160 4.181 4.340 0.001 0.000 0.235 501 R C 1.875 178.301 176.300 0.210 0.000 1.131 501 R CA 2.006 58.293 56.100 0.312 0.000 0.960 501 R CB -0.668 29.775 30.300 0.238 0.000 0.856 501 R HN 0.333 nan 8.270 nan 0.000 0.436 502 H N -0.721 118.385 119.070 0.060 0.000 2.326 502 H HA -0.036 4.521 4.556 0.001 0.000 0.301 502 H C 2.280 177.588 175.328 -0.034 0.000 1.081 502 H CA 1.284 57.325 56.048 -0.012 0.000 1.334 502 H CB 0.118 29.863 29.762 -0.029 0.000 1.385 502 H HN 0.196 nan 8.280 nan 0.000 0.504 503 R N 0.611 121.195 120.500 0.140 0.000 2.091 503 R HA -0.122 4.219 4.340 0.001 0.000 0.238 503 R C 2.613 178.908 176.300 -0.008 0.000 1.136 503 R CA 0.999 57.142 56.100 0.073 0.000 0.959 503 R CB -0.256 30.129 30.300 0.141 0.000 0.856 503 R HN 0.256 nan 8.270 nan 0.000 0.437 504 A N 1.330 124.155 122.820 0.009 0.000 1.902 504 A HA -0.170 4.150 4.320 0.001 0.000 0.217 504 A C 2.114 179.446 177.584 -0.420 0.000 1.181 504 A CA 1.235 53.097 52.037 -0.291 0.000 0.623 504 A CB -0.368 18.477 19.000 -0.258 0.000 0.818 504 A HN 0.225 nan 8.150 nan 0.000 0.443 505 R N -0.682 119.674 120.500 -0.241 0.000 2.081 505 R HA -0.108 4.232 4.340 0.001 0.000 0.235 505 R C 2.653 178.833 176.300 -0.200 0.000 1.131 505 R CA 1.486 57.459 56.100 -0.213 0.000 0.960 505 R CB -0.418 29.807 30.300 -0.126 0.000 0.856 505 R HN 0.565 nan 8.270 nan 0.000 0.436 506 S N 0.253 115.853 115.700 -0.167 0.000 2.345 506 S HA -0.100 4.371 4.470 0.001 0.000 0.220 506 S C 2.054 176.548 174.600 -0.177 0.000 1.031 506 S CA 1.303 59.417 58.200 -0.144 0.000 0.996 506 S CB -0.146 62.991 63.200 -0.105 0.000 0.882 506 S HN 0.115 nan 8.310 nan 0.000 0.445 507 V N 2.738 122.507 119.914 -0.243 0.000 2.392 507 V HA -0.165 3.956 4.120 0.001 0.000 0.249 507 V C 2.706 178.593 176.094 -0.345 0.000 1.059 507 V CA 2.255 64.383 62.300 -0.286 0.000 1.051 507 V CB -0.896 30.685 31.823 -0.402 0.000 0.658 507 V HN 0.490 nan 8.190 nan 0.000 0.455 508 R N 0.379 120.591 120.500 -0.480 0.000 2.070 508 R HA -0.188 4.153 4.340 0.001 0.000 0.233 508 R C 2.348 178.555 176.300 -0.155 0.000 1.137 508 R CA 1.849 57.757 56.100 -0.320 0.000 0.945 508 R CB -0.515 29.612 30.300 -0.288 0.000 0.845 508 R HN 0.466 nan 8.270 nan 0.000 0.430 509 A N 1.083 123.814 122.820 -0.147 0.000 1.908 509 A HA -0.169 4.152 4.320 0.001 0.000 0.218 509 A C 2.218 179.762 177.584 -0.067 0.000 1.181 509 A CA 1.520 53.499 52.037 -0.096 0.000 0.627 509 A CB -0.464 18.479 19.000 -0.095 0.000 0.818 509 A HN 0.385 nan 8.150 nan 0.000 0.445 510 R N -0.778 119.680 120.500 -0.070 0.000 2.115 510 R HA 0.053 4.393 4.340 0.001 0.000 0.230 510 R C 1.989 178.285 176.300 -0.006 0.000 1.111 510 R CA 1.116 57.194 56.100 -0.036 0.000 0.976 510 R CB -0.385 29.894 30.300 -0.035 0.000 0.870 510 R HN 0.514 nan 8.270 nan 0.000 0.445 511 L N 0.461 121.683 121.223 -0.002 0.000 2.093 511 L HA -0.160 4.181 4.340 0.001 0.000 0.208 511 L C 2.240 179.130 176.870 0.032 0.000 1.085 511 L CA 1.066 55.934 54.840 0.046 0.000 0.755 511 L CB -0.319 41.782 42.059 0.071 0.000 0.904 511 L HN 0.216 nan 8.230 nan 0.000 0.435 512 L N -0.449 120.775 121.223 0.002 0.000 2.093 512 L HA -0.173 4.168 4.340 0.001 0.000 0.208 512 L C 2.808 179.678 176.870 0.001 0.000 1.085 512 L CA 1.496 56.334 54.840 -0.002 0.000 0.755 512 L CB -0.596 41.448 42.059 -0.025 0.000 0.904 512 L HN 0.392 nan 8.230 nan 0.000 0.435 513 S N -0.994 114.704 115.700 -0.004 0.000 2.474 513 S HA -0.190 4.281 4.470 0.001 0.000 0.235 513 S C 1.689 176.294 174.600 0.009 0.000 0.997 513 S CA 0.718 58.916 58.200 -0.002 0.000 0.949 513 S CB -0.228 62.967 63.200 -0.009 0.000 0.766 513 S HN 0.522 nan 8.310 nan 0.000 0.517 514 Q N 0.947 120.759 119.800 0.021 0.000 2.392 514 Q HA 0.326 4.667 4.340 0.001 0.000 0.203 514 Q C 1.269 177.289 176.000 0.033 0.000 0.917 514 Q CA 0.123 55.944 55.803 0.030 0.000 0.939 514 Q CB -0.004 28.761 28.738 0.046 0.000 1.063 514 Q HN 0.720 nan 8.270 nan 0.000 0.516 515 G N 0.420 109.238 108.800 0.030 0.000 2.749 515 G HA2 -0.162 3.799 3.960 0.001 0.000 0.242 515 G HA3 -0.162 3.799 3.960 0.001 0.000 0.242 515 G C 0.479 175.404 174.900 0.041 0.000 1.364 515 G CA -0.231 44.887 45.100 0.030 0.000 0.888 515 G HN 0.714 nan 8.290 nan 0.000 0.566 516 G N -0.943 107.880 108.800 0.038 0.000 2.566 516 G HA2 -0.236 3.725 3.960 0.001 0.000 0.280 516 G HA3 -0.236 3.725 3.960 0.001 0.000 0.280 516 G C 1.207 176.138 174.900 0.052 0.000 1.225 516 G CA 1.391 46.516 45.100 0.042 0.000 0.966 516 G HN 1.505 nan 8.290 nan 0.000 0.560 517 R N 0.515 121.051 120.500 0.061 0.000 2.115 517 R HA 0.140 4.481 4.340 0.001 0.000 0.230 517 R C 3.103 179.463 176.300 0.101 0.000 1.111 517 R CA 1.703 57.847 56.100 0.072 0.000 0.976 517 R CB -0.569 29.779 30.300 0.079 0.000 0.870 517 R HN 0.692 nan 8.270 nan 0.000 0.445 518 A N 1.666 124.553 122.820 0.111 0.000 1.933 518 A HA -0.067 4.254 4.320 0.001 0.000 0.218 518 A C 2.397 180.045 177.584 0.106 0.000 1.175 518 A CA 1.605 53.727 52.037 0.142 0.000 0.628 518 A CB -0.420 18.657 19.000 0.128 0.000 0.814 518 A HN 0.364 nan 8.150 nan 0.000 0.444 519 A N -1.149 121.716 122.820 0.075 0.000 1.929 519 A HA -0.027 4.293 4.320 0.001 0.000 0.216 519 A C 2.254 179.876 177.584 0.064 0.000 1.176 519 A CA 2.079 54.148 52.037 0.053 0.000 0.628 519 A CB -1.062 17.960 19.000 0.037 0.000 0.816 519 A HN 0.406 nan 8.150 nan 0.000 0.444 520 T N -0.868 113.738 114.554 0.085 0.000 2.821 520 T HA -0.154 4.197 4.350 0.001 0.000 0.267 520 T C 1.842 176.608 174.700 0.110 0.000 1.046 520 T CA 1.497 63.678 62.100 0.135 0.000 1.139 520 T CB -0.591 68.317 68.868 0.067 0.000 0.871 520 T HN 0.570 nan 8.240 nan 0.000 0.454 521 C N 1.349 120.682 119.300 0.054 0.000 2.435 521 C HA 0.086 4.547 4.460 0.001 0.000 0.279 521 C C 3.045 178.010 174.990 -0.042 0.000 1.321 521 C CA 0.366 59.360 59.018 -0.041 0.000 1.752 521 C CB -1.451 26.292 27.740 0.006 0.000 1.959 521 C HN 0.714 nan 8.230 nan 0.000 0.500 522 G N 0.144 108.976 108.800 0.054 0.000 2.394 522 G HA2 -0.205 3.756 3.960 0.001 0.000 0.215 522 G HA3 -0.205 3.756 3.960 0.001 0.000 0.215 522 G C 1.650 176.573 174.900 0.039 0.000 1.165 522 G CA 0.862 46.028 45.100 0.110 0.000 0.784 522 G HN 0.616 nan 8.290 nan 0.000 0.535 523 K N -0.863 119.516 120.400 -0.036 0.000 2.025 523 K HA -0.035 4.286 4.320 0.001 0.000 0.207 523 K C 2.139 178.539 176.600 -0.334 0.000 1.049 523 K CA 0.981 57.159 56.287 -0.182 0.000 0.933 523 K CB -0.235 32.129 32.500 -0.227 0.000 0.714 523 K HN 0.396 nan 8.250 nan 0.000 0.438 524 Y N 0.677 120.783 120.300 -0.324 0.000 2.262 524 Y HA 0.027 4.578 4.550 0.001 0.000 0.295 524 Y C 2.010 177.609 175.900 -0.501 0.000 1.121 524 Y CA 0.724 58.456 58.100 -0.613 0.000 1.144 524 Y CB -0.012 37.766 38.460 -1.137 0.000 1.043 524 Y HN -0.074 nan 8.280 nan 0.000 0.528 525 L N -1.749 119.291 121.223 -0.305 0.000 2.217 525 L HA -0.129 4.212 4.340 0.001 0.000 0.211 525 L C 0.724 177.303 176.870 -0.486 0.000 1.107 525 L CA 1.258 55.854 54.840 -0.407 0.000 0.783 525 L CB -0.283 41.288 42.059 -0.813 0.000 0.919 525 L HN 0.186 nan 8.230 nan 0.000 0.442 526 F N -1.781 118.095 119.950 -0.123 0.000 2.683 526 F HA 0.174 4.702 4.527 0.001 0.000 0.306 526 F C 1.743 177.215 175.800 -0.547 0.000 1.102 526 F CA -0.396 57.322 58.000 -0.469 0.000 1.244 526 F CB -0.684 38.064 39.000 -0.420 0.000 1.029 526 F HN 0.016 nan 8.300 nan 0.000 0.545 527 N N 0.985 119.598 118.700 -0.144 0.000 2.348 527 N HA -0.185 4.556 4.740 0.001 0.000 0.185 527 N C 1.809 177.292 175.510 -0.045 0.000 1.019 527 N CA 1.499 54.488 53.050 -0.103 0.000 0.880 527 N CB -0.072 38.377 38.487 -0.064 0.000 0.965 527 N HN 0.570 nan 8.380 nan 0.000 0.437 528 W N -0.126 121.214 121.300 0.067 0.000 2.519 528 W HA 0.158 4.818 4.660 0.001 0.000 0.266 528 W C 1.475 178.050 176.519 0.094 0.000 1.253 528 W CA 0.500 57.891 57.345 0.076 0.000 1.274 528 W CB -0.569 28.946 29.460 0.092 0.000 1.114 528 W HN -0.029 nan 8.180 nan 0.000 0.596 529 A N 1.689 124.149 122.820 -0.600 0.000 2.072 529 A HA 0.145 4.466 4.320 0.001 0.000 0.216 529 A C 1.208 178.683 177.584 -0.182 0.000 1.156 529 A CA 1.050 52.752 52.037 -0.558 0.000 0.701 529 A CB -0.913 17.531 19.000 -0.926 0.000 0.816 529 A HN 0.115 nan 8.150 nan 0.000 0.458 530 V N -2.665 117.160 119.914 -0.149 0.000 2.644 530 V HA 0.359 4.480 4.120 0.001 0.000 0.295 530 V C 1.235 177.310 176.094 -0.032 0.000 1.053 530 V CA -0.572 61.677 62.300 -0.086 0.000 0.987 530 V CB 1.391 33.155 31.823 -0.099 0.000 1.006 530 V HN 0.265 nan 8.190 nan 0.000 0.472 531 K N 1.838 122.226 120.400 -0.021 0.000 2.148 531 K HA -0.021 4.300 4.320 0.001 0.000 0.204 531 K C 0.562 177.153 176.600 -0.015 0.000 1.050 531 K CA 1.379 57.663 56.287 -0.005 0.000 0.942 531 K CB -0.018 32.480 32.500 -0.003 0.000 0.724 531 K HN 0.853 nan 8.250 nan 0.000 0.446 532 T N 3.291 117.827 114.554 -0.028 0.000 2.864 532 T HA 0.222 4.573 4.350 0.001 0.000 0.310 532 T C -0.847 173.827 174.700 -0.043 0.000 1.040 532 T CA -0.781 61.299 62.100 -0.033 0.000 0.977 532 T CB 1.443 70.292 68.868 -0.032 0.000 0.976 532 T HN -0.062 nan 8.240 nan 0.000 0.459 533 K N 2.611 122.986 120.400 -0.042 0.000 2.355 533 K HA 0.344 4.665 4.320 0.001 0.000 0.270 533 K C 0.192 176.754 176.600 -0.062 0.000 1.003 533 K CA -0.626 55.631 56.287 -0.050 0.000 0.957 533 K CB 0.606 33.083 32.500 -0.038 0.000 0.939 533 K HN 0.279 nan 8.250 nan 0.000 0.482 534 L N 2.451 123.622 121.223 -0.087 0.000 2.469 534 L HA 0.118 4.459 4.340 0.001 0.000 0.253 534 L C 1.893 178.705 176.870 -0.098 0.000 1.143 534 L CA 0.195 54.973 54.840 -0.103 0.000 0.804 534 L CB 0.267 42.235 42.059 -0.151 0.000 1.214 534 L HN 0.608 nan 8.230 nan 0.000 0.476 535 K N 0.635 120.979 120.400 -0.094 0.000 2.076 535 K HA -0.013 4.308 4.320 0.001 0.000 0.204 535 K C -0.048 176.514 176.600 -0.063 0.000 1.051 535 K CA 0.364 56.616 56.287 -0.059 0.000 0.949 535 K CB -0.505 31.972 32.500 -0.038 0.000 0.726 535 K HN 0.269 nan 8.250 nan 0.000 0.443 536 L N 2.530 123.669 121.223 -0.141 0.000 3.092 536 L HA -0.158 4.183 4.340 0.001 0.000 0.617 536 L C -0.102 176.813 176.870 0.075 0.000 1.006 536 L CA 1.203 55.950 54.840 -0.155 0.000 1.302 536 L CB -1.998 39.974 42.059 -0.144 0.000 1.573 536 L HN 0.732 nan 8.230 nan 0.000 0.771 537 T N 1.289 115.926 114.554 0.139 0.000 2.937 537 T HA 0.894 5.245 4.350 0.001 0.000 0.283 537 T C -2.510 172.328 174.700 0.229 0.000 1.012 537 T CA -2.231 59.963 62.100 0.156 0.000 0.997 537 T CB 1.827 70.753 68.868 0.096 0.000 1.136 537 T HN 0.259 nan 8.240 nan 0.000 0.551 538 P HA 0.221 nan 4.420 nan 0.000 0.265 538 P C -0.473 176.867 177.300 0.066 0.000 1.193 538 P CA -0.126 63.039 63.100 0.108 0.000 0.765 538 P CB 0.072 31.811 31.700 0.065 0.000 0.823 539 I N 6.291 126.849 120.570 -0.020 0.000 2.471 539 I HA 0.078 4.249 4.170 0.001 0.000 0.286 539 I C -0.844 175.246 176.117 -0.044 0.000 1.079 539 I CA -1.595 59.649 61.300 -0.094 0.000 1.398 539 I CB 1.011 38.858 38.000 -0.256 0.000 1.403 539 I HN 0.364 nan 8.210 nan 0.000 0.530 540 P HA -0.167 nan 4.420 nan 0.000 0.215 540 P C 1.180 178.465 177.300 -0.024 0.000 1.157 540 P CA 1.193 64.286 63.100 -0.013 0.000 0.863 540 P CB 0.220 31.919 31.700 -0.001 0.000 0.787 541 A N -0.104 122.697 122.820 -0.032 0.000 2.216 541 A HA 0.133 4.454 4.320 0.001 0.000 0.214 541 A C 2.345 179.900 177.584 -0.047 0.000 1.160 541 A CA 1.317 53.334 52.037 -0.033 0.000 0.725 541 A CB -1.233 17.750 19.000 -0.028 0.000 0.784 541 A HN 0.230 nan 8.150 nan 0.000 0.472 542 A N 0.655 123.442 122.820 -0.055 0.000 1.877 542 A HA -0.108 4.213 4.320 0.001 0.000 0.216 542 A C 2.409 179.954 177.584 -0.065 0.000 1.186 542 A CA 2.051 54.050 52.037 -0.064 0.000 0.620 542 A CB -0.975 17.991 19.000 -0.057 0.000 0.822 542 A HN 1.005 nan 8.150 nan 0.000 0.443 543 S N 0.121 115.792 115.700 -0.048 0.000 2.547 543 S HA -0.134 4.337 4.470 0.001 0.000 0.235 543 S C 1.382 175.952 174.600 -0.050 0.000 0.980 543 S CA 0.974 59.147 58.200 -0.045 0.000 0.941 543 S CB -0.431 62.751 63.200 -0.029 0.000 0.763 543 S HN 0.838 nan 8.310 nan 0.000 0.532 544 Q N 0.196 119.965 119.800 -0.051 0.000 2.189 544 Q HA 0.454 4.795 4.340 0.001 0.000 0.221 544 Q C -0.117 175.845 176.000 -0.063 0.000 0.848 544 Q CA -0.381 55.394 55.803 -0.047 0.000 1.007 544 Q CB -0.096 28.622 28.738 -0.033 0.000 1.116 544 Q HN 0.430 nan 8.270 nan 0.000 0.481 545 L N 1.498 122.665 121.223 -0.093 0.000 2.350 545 L HA 0.268 4.608 4.340 0.001 0.000 0.275 545 L C 0.066 176.842 176.870 -0.157 0.000 1.099 545 L CA -0.514 54.247 54.840 -0.132 0.000 0.808 545 L CB 1.234 43.180 42.059 -0.188 0.000 1.149 545 L HN 0.220 nan 8.230 nan 0.000 0.442 546 D N 3.977 124.288 120.400 -0.148 0.000 2.494 546 D HA 0.131 4.772 4.640 0.001 0.000 0.217 546 D C 0.007 176.171 176.300 -0.228 0.000 1.153 546 D CA -0.258 53.665 54.000 -0.129 0.000 0.954 546 D CB 0.941 41.708 40.800 -0.054 0.000 1.034 546 D HN 0.237 nan 8.370 nan 0.000 0.518 547 L N 2.632 123.666 121.223 -0.315 0.000 2.857 547 L HA 0.040 4.380 4.340 0.001 0.000 0.249 547 L C 2.255 179.031 176.870 -0.157 0.000 1.172 547 L CA 0.174 54.680 54.840 -0.558 0.000 0.980 547 L CB -0.046 41.591 42.059 -0.703 0.000 1.299 547 L HN 0.258 nan 8.230 nan 0.000 0.535 548 S N -1.616 114.055 115.700 -0.049 0.000 2.474 548 S HA -0.013 4.458 4.470 0.001 0.000 0.235 548 S C 1.521 176.176 174.600 0.092 0.000 0.997 548 S CA 0.853 59.067 58.200 0.023 0.000 0.949 548 S CB -0.274 62.929 63.200 0.006 0.000 0.766 548 S HN 0.378 nan 8.310 nan 0.000 0.517 549 G N -0.974 107.917 108.800 0.151 0.000 3.805 549 G HA2 0.364 4.325 3.960 0.001 0.000 0.290 549 G HA3 0.364 4.325 3.960 0.001 0.000 0.290 549 G C 0.236 175.317 174.900 0.302 0.000 1.077 549 G CA -0.523 44.675 45.100 0.162 0.000 0.852 549 G HN 0.384 nan 8.290 nan 0.000 0.531 550 W N 0.258 121.524 121.300 -0.057 0.000 2.525 550 W HA 0.408 5.069 4.660 0.002 0.000 0.288 550 W C 0.234 176.376 176.519 -0.628 0.000 1.200 550 W CA 0.221 57.345 57.345 -0.368 0.000 1.349 550 W CB 0.096 29.216 29.460 -0.567 0.000 1.102 550 W HN 0.098 nan 8.180 nan 0.000 0.558 551 F N -0.213 119.915 119.950 0.297 0.000 2.531 551 F HA 0.299 4.827 4.527 0.001 0.000 0.333 551 F C 0.463 176.402 175.800 0.232 0.000 1.292 551 F CA -0.371 57.794 58.000 0.275 0.000 1.184 551 F CB 0.077 39.202 39.000 0.209 0.000 1.426 551 F HN -0.406 nan 8.300 nan 0.000 0.559 552 V N 0.129 120.243 119.914 0.333 0.000 2.911 552 V HA 0.588 4.709 4.120 0.001 0.000 0.237 552 V C 0.884 177.128 176.094 0.251 0.000 1.156 552 V CA 0.592 63.037 62.300 0.242 0.000 1.180 552 V CB 0.427 32.372 31.823 0.203 0.000 0.932 552 V HN 0.461 nan 8.190 nan 0.000 0.483 553 A N -0.608 122.323 122.820 0.185 0.000 2.593 553 A HA 0.799 5.120 4.320 0.001 0.000 0.290 553 A C -0.295 177.000 177.584 -0.482 0.000 1.126 553 A CA 0.076 52.092 52.037 -0.035 0.000 0.695 553 A CB 1.187 20.032 19.000 -0.260 0.000 1.290 553 A HN 0.396 nan 8.150 nan 0.000 0.414 554 G N -1.343 106.862 108.800 -0.991 0.000 2.389 554 G HA2 0.547 4.508 3.960 0.001 0.000 0.317 554 G HA3 0.547 4.508 3.960 0.001 0.000 0.317 554 G C -0.930 173.327 174.900 -1.072 0.000 1.137 554 G CA -0.112 44.087 45.100 -1.501 0.000 0.870 554 G HN 0.591 nan 8.290 nan 0.000 0.496 555 Y N 0.339 120.437 120.300 -0.338 0.000 2.768 555 Y HA 0.252 4.803 4.550 0.001 0.000 0.249 555 Y C 1.246 177.076 175.900 -0.118 0.000 1.146 555 Y CA -0.809 57.190 58.100 -0.168 0.000 1.171 555 Y CB 0.332 38.726 38.460 -0.109 0.000 1.249 555 Y HN 0.382 nan 8.280 nan 0.000 0.567 556 S N 0.928 116.607 115.700 -0.035 0.000 2.626 556 S HA 0.253 4.724 4.470 0.001 0.000 0.303 556 S C 1.420 176.047 174.600 0.045 0.000 1.256 556 S CA 1.273 59.483 58.200 0.017 0.000 1.069 556 S CB 0.156 63.368 63.200 0.019 0.000 0.807 556 S HN 0.921 nan 8.310 nan 0.000 0.500 557 G N 2.803 111.632 108.800 0.049 0.000 2.184 557 G HA2 -0.258 3.703 3.960 0.001 0.000 0.264 557 G HA3 -0.258 3.703 3.960 0.001 0.000 0.264 557 G C 0.737 175.677 174.900 0.067 0.000 0.975 557 G CA 0.265 45.401 45.100 0.059 0.000 0.642 557 G HN 1.101 nan 8.290 nan 0.000 0.536 558 G N -0.310 108.534 108.800 0.074 0.000 3.042 558 G HA2 0.399 4.360 3.960 0.001 0.000 0.212 558 G HA3 0.399 4.360 3.960 0.001 0.000 0.212 558 G C 0.456 175.380 174.900 0.040 0.000 1.166 558 G CA 1.110 46.270 45.100 0.099 0.000 0.767 558 G HN 1.106 nan 8.290 nan 0.000 0.546 559 D N -0.325 120.068 120.400 -0.011 0.000 2.699 559 D HA -0.162 4.479 4.640 0.001 0.000 0.239 559 D C -0.097 176.138 176.300 -0.109 0.000 1.136 559 D CA 0.382 54.350 54.000 -0.054 0.000 0.668 559 D CB -1.147 39.635 40.800 -0.030 0.000 1.060 559 D HN 0.115 nan 8.370 nan 0.000 0.429 560 I N 1.275 121.734 120.570 -0.184 0.000 2.404 560 I HA 0.370 4.541 4.170 0.001 0.000 0.293 560 I C -0.051 175.823 176.117 -0.405 0.000 0.992 560 I CA -0.774 60.300 61.300 -0.377 0.000 1.149 560 I CB 1.282 38.878 38.000 -0.672 0.000 1.315 560 I HN 0.096 nan 8.210 nan 0.000 0.446 561 Y N 5.784 125.753 120.300 -0.551 0.000 2.391 561 Y HA 0.504 5.055 4.550 0.001 0.000 0.341 561 Y C -0.690 174.911 175.900 -0.499 0.000 0.965 561 Y CA -0.339 57.471 58.100 -0.484 0.000 1.067 561 Y CB 1.397 39.687 38.460 -0.284 0.000 1.199 561 Y HN 0.637 nan 8.280 nan 0.000 0.450 562 H N 2.238 120.733 119.070 -0.958 0.000 2.869 562 H HA 0.657 5.213 4.556 0.002 0.000 0.342 562 H C -0.377 174.534 175.328 -0.695 0.000 1.250 562 H CA -0.462 55.141 56.048 -0.743 0.000 1.217 562 H CB 2.062 31.313 29.762 -0.850 0.000 1.917 562 H HN 0.798 nan 8.280 nan 0.000 0.586 563 S N 0.000 115.610 115.700 -0.149 0.000 2.498 563 S HA 0.000 4.471 4.470 0.001 0.000 0.327 563 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 563 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517