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 3hwx_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTLLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF AEPLYGEMDD TGLSWQQRLG DWWQDDKPWL DATA SEQUENCE REAPRLESEK QRDWFFWRQK RGVVVAGRMS AEEGKKVALW AQTLGWPLIG DATA SEQUENCE DVLSQTGQPL PCADLWLGNA KATSELQQAQ IVVQLGSSLT GKRLLQWQAS DATA SEQUENCE CEPEEYWIVD DIEGRLDPAH HRGRRLIANI ADWLELHPAE KRQPWCVEIP DATA SEQUENCE RLAEQAMQAV IARRDAFGEA QLAHRICDYL PEQGQLFVGN SLVVRLIDAL DATA SEQUENCE SQLPAGYPVY SNRGASGIDG LLSTAAGVQR ASGKPTLAIV GDLSALYDLN DATA SEQUENCE ALALLRQVSA PLVLIVVNNN GGQIFSLLPT PQSERERFYL MPQNVHFEHA DATA SEQUENCE AAMFELKYHR PQNWQELETA FADAWRTPTT TVIEMVVNDT DGAQTLQQLL DATA SEQUENCE AQVSHL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 S N 1.880 117.586 115.700 0.011 0.000 2.673 2 S HA 0.106 4.695 4.470 0.198 0.000 0.308 2 S C 0.849 175.473 174.600 0.040 0.000 1.246 2 S CA -0.234 57.982 58.200 0.026 0.000 1.077 2 S CB 0.379 63.603 63.200 0.040 0.000 0.814 2 S HN 0.355 nan 8.310 nan 0.000 0.503 3 V N 5.595 125.526 119.914 0.029 0.000 2.270 3 V HA -0.136 4.103 4.120 0.198 0.000 0.245 3 V C 2.722 178.859 176.094 0.072 0.000 1.043 3 V CA 2.030 64.357 62.300 0.045 0.000 1.014 3 V CB -1.576 30.255 31.823 0.013 0.000 0.645 3 V HN 1.052 nan 8.190 nan 0.000 0.447 4 S N 1.376 117.100 115.700 0.040 0.000 2.440 4 S HA -0.142 4.446 4.470 0.198 0.000 0.238 4 S C 1.916 176.536 174.600 0.032 0.000 1.010 4 S CA 1.477 59.687 58.200 0.017 0.000 0.972 4 S CB -0.438 62.767 63.200 0.008 0.000 0.774 4 S HN 0.623 nan 8.310 nan 0.000 0.501 5 A N 0.440 123.301 122.820 0.068 0.000 1.984 5 A HA 0.291 4.730 4.320 0.198 0.000 0.214 5 A C 1.807 179.465 177.584 0.123 0.000 1.173 5 A CA 0.630 52.717 52.037 0.084 0.000 0.673 5 A CB -0.864 18.190 19.000 0.089 0.000 0.830 5 A HN 0.541 nan 8.150 nan 0.000 0.453 6 F N 1.769 121.712 119.950 -0.011 0.000 2.186 6 F HA -0.142 4.504 4.527 0.199 0.000 0.299 6 F C 1.941 177.759 175.800 0.030 0.000 1.090 6 F CA 1.548 59.521 58.000 -0.046 0.000 1.307 6 F CB -0.258 38.649 39.000 -0.154 0.000 1.019 6 F HN 0.193 nan 8.300 nan 0.000 0.489 7 N N 0.581 119.264 118.700 -0.029 0.000 2.104 7 N HA -0.182 4.676 4.740 0.198 0.000 0.190 7 N C 2.050 177.593 175.510 0.055 0.000 1.024 7 N CA 1.321 54.389 53.050 0.031 0.000 0.853 7 N CB -0.429 38.111 38.487 0.087 0.000 1.008 7 N HN 0.325 nan 8.380 nan 0.000 0.424 8 R N 0.597 121.099 120.500 0.004 0.000 2.081 8 R HA 0.066 4.525 4.340 0.198 0.000 0.235 8 R C 2.142 178.497 176.300 0.092 0.000 1.131 8 R CA 1.024 57.142 56.100 0.031 0.000 0.960 8 R CB 0.087 30.402 30.300 0.024 0.000 0.856 8 R HN 0.232 nan 8.270 nan 0.000 0.436 9 R N -0.413 120.129 120.500 0.070 0.000 2.115 9 R HA -0.147 4.312 4.340 0.198 0.000 0.226 9 R C 2.000 178.448 176.300 0.246 0.000 1.100 9 R CA 0.825 57.044 56.100 0.197 0.000 0.980 9 R CB -0.533 29.927 30.300 0.268 0.000 0.875 9 R HN 0.472 nan 8.270 nan 0.000 0.445 10 W N 2.053 123.168 121.300 -0.308 0.000 2.354 10 W HA -0.189 4.589 4.660 0.196 0.000 0.315 10 W C 1.966 178.560 176.519 0.124 0.000 1.206 10 W CA 1.985 59.208 57.345 -0.203 0.000 1.290 10 W CB -0.182 28.978 29.460 -0.500 0.000 1.152 10 W HN 0.108 nan 8.180 nan 0.000 0.489 11 A N 1.019 124.058 122.820 0.364 0.000 1.845 11 A HA -0.115 4.324 4.320 0.198 0.000 0.215 11 A C 2.194 179.900 177.584 0.202 0.000 1.195 11 A CA 2.943 55.159 52.037 0.299 0.000 0.616 11 A CB -1.554 17.592 19.000 0.243 0.000 0.832 11 A HN 0.342 nan 8.150 nan 0.000 0.443 12 A N -0.583 122.371 122.820 0.223 0.000 1.940 12 A HA -0.152 4.287 4.320 0.198 0.000 0.221 12 A C 2.265 180.045 177.584 0.326 0.000 1.190 12 A CA 2.295 54.504 52.037 0.287 0.000 0.647 12 A CB -1.193 17.999 19.000 0.321 0.000 0.821 12 A HN 0.463 nan 8.150 nan 0.000 0.457 13 V N 0.330 120.416 119.914 0.287 0.000 2.223 13 V HA -0.315 3.924 4.120 0.198 0.000 0.244 13 V C 2.407 178.526 176.094 0.042 0.000 1.045 13 V CA 2.118 64.495 62.300 0.128 0.000 1.000 13 V CB -0.809 30.994 31.823 -0.033 0.000 0.635 13 V HN 0.632 nan 8.190 nan 0.000 0.445 14 I N -0.290 120.259 120.570 -0.034 0.000 2.121 14 I HA -0.385 3.904 4.170 0.198 0.000 0.243 14 I C 2.320 178.492 176.117 0.092 0.000 1.047 14 I CA 2.000 63.288 61.300 -0.020 0.000 1.308 14 I CB -0.583 37.409 38.000 -0.013 0.000 1.015 14 I HN 0.280 nan 8.210 nan 0.000 0.410 15 L N 0.002 121.324 121.223 0.165 0.000 2.313 15 L HA -0.138 4.321 4.340 0.198 0.000 0.214 15 L C 2.423 179.469 176.870 0.293 0.000 1.119 15 L CA 0.928 55.923 54.840 0.259 0.000 0.809 15 L CB -0.379 41.856 42.059 0.293 0.000 0.933 15 L HN 0.171 nan 8.230 nan 0.000 0.449 16 E N 0.267 120.592 120.200 0.209 0.000 2.285 16 E HA -0.096 4.373 4.350 0.198 0.000 0.194 16 E C 2.111 178.785 176.600 0.124 0.000 0.997 16 E CA 1.030 57.496 56.400 0.111 0.000 0.845 16 E CB 0.059 29.783 29.700 0.039 0.000 0.782 16 E HN 0.352 nan 8.360 nan 0.000 0.491 17 A N 0.344 123.290 122.820 0.210 0.000 1.970 17 A HA -0.010 4.429 4.320 0.198 0.000 0.216 17 A C 2.120 179.871 177.584 0.279 0.000 1.170 17 A CA 0.768 52.965 52.037 0.266 0.000 0.645 17 A CB -0.468 18.615 19.000 0.138 0.000 0.816 17 A HN 0.317 nan 8.150 nan 0.000 0.447 18 L N -0.748 120.613 121.223 0.231 0.000 1.994 18 L HA -0.186 4.273 4.340 0.198 0.000 0.208 18 L C 2.626 179.633 176.870 0.228 0.000 1.071 18 L CA 1.869 56.864 54.840 0.260 0.000 0.745 18 L CB -1.395 40.839 42.059 0.293 0.000 0.892 18 L HN 0.307 nan 8.230 nan 0.000 0.431 19 T N -0.348 114.277 114.554 0.117 0.000 2.814 19 T HA -0.279 4.190 4.350 0.198 0.000 0.264 19 T C 1.434 176.076 174.700 -0.095 0.000 1.050 19 T CA 1.626 63.673 62.100 -0.089 0.000 1.147 19 T CB -0.311 68.439 68.868 -0.198 0.000 0.833 19 T HN 0.281 nan 8.240 nan 0.000 0.498 20 R N -0.200 120.270 120.500 -0.050 0.000 2.586 20 R HA 0.229 4.687 4.340 0.198 0.000 0.336 20 R C 0.640 176.679 176.300 -0.436 0.000 1.060 20 R CA -0.014 55.964 56.100 -0.203 0.000 1.079 20 R CB 0.390 30.564 30.300 -0.211 0.000 1.317 20 R HN 0.452 nan 8.270 nan 0.000 0.568 21 H N -1.427 117.648 119.070 0.008 0.000 2.916 21 H HA 0.260 4.935 4.556 0.199 0.000 0.262 21 H C 0.887 176.222 175.328 0.012 0.000 1.178 21 H CA 0.488 56.545 56.048 0.015 0.000 1.090 21 H CB 1.700 31.479 29.762 0.029 0.000 1.657 21 H HN 0.407 nan 8.280 nan 0.000 0.601 22 G N 1.221 110.051 108.800 0.050 0.000 2.195 22 G HA2 -0.305 3.773 3.960 0.198 0.000 0.246 22 G HA3 -0.305 3.773 3.960 0.198 0.000 0.246 22 G C 0.411 175.351 174.900 0.067 0.000 0.984 22 G CA 0.226 45.346 45.100 0.034 0.000 0.633 22 G HN 0.184 nan 8.290 nan 0.000 0.525 23 V N 2.344 122.335 119.914 0.127 0.000 2.420 23 V HA 0.192 4.431 4.120 0.198 0.000 0.274 23 V C 1.734 177.954 176.094 0.211 0.000 1.003 23 V CA 0.889 63.307 62.300 0.196 0.000 1.092 23 V CB 0.980 32.974 31.823 0.285 0.000 1.002 23 V HN 0.409 nan 8.190 nan 0.000 0.473 24 R N 2.620 123.202 120.500 0.138 0.000 2.084 24 R HA 0.150 4.609 4.340 0.198 0.000 0.209 24 R C 0.666 176.992 176.300 0.042 0.000 1.173 24 R CA 0.584 56.691 56.100 0.011 0.000 1.053 24 R CB 0.260 30.462 30.300 -0.164 0.000 0.948 24 R HN 0.722 nan 8.270 nan 0.000 0.460 25 H N -0.038 119.125 119.070 0.155 0.000 2.481 25 H HA 0.325 5.000 4.556 0.199 0.000 0.339 25 H C -0.445 174.919 175.328 0.059 0.000 1.131 25 H CA -0.234 55.893 56.048 0.132 0.000 1.301 25 H CB 1.826 31.694 29.762 0.176 0.000 1.476 25 H HN 0.135 nan 8.280 nan 0.000 0.529 26 I N 2.497 123.135 120.570 0.114 0.000 2.548 26 I HA 0.157 4.445 4.170 0.198 0.000 0.287 26 I C -0.872 175.291 176.117 0.077 0.000 1.103 26 I CA -0.477 60.799 61.300 -0.040 0.000 1.049 26 I CB 0.682 38.430 38.000 -0.420 0.000 1.232 26 I HN 0.509 nan 8.210 nan 0.000 0.429 27 C N 7.683 127.031 119.300 0.081 0.000 2.307 27 C HA 0.594 5.173 4.460 0.198 0.000 0.340 27 C C 0.136 175.167 174.990 0.069 0.000 1.275 27 C CA -0.497 58.585 59.018 0.107 0.000 1.811 27 C CB -0.129 27.651 27.740 0.066 0.000 2.372 27 C HN 0.488 nan 8.230 nan 0.000 0.531 28 I N 2.914 123.536 120.570 0.088 0.000 2.465 28 I HA 0.589 4.878 4.170 0.198 0.000 0.291 28 I C 0.359 176.519 176.117 0.072 0.000 1.014 28 I CA -0.001 61.339 61.300 0.066 0.000 1.093 28 I CB 1.476 39.508 38.000 0.054 0.000 1.267 28 I HN 0.760 nan 8.210 nan 0.000 0.431 29 A N 7.779 130.636 122.820 0.062 0.000 2.311 29 A HA 0.871 5.310 4.320 0.198 0.000 0.334 29 A C -2.473 175.147 177.584 0.060 0.000 1.139 29 A CA -1.595 50.478 52.037 0.060 0.000 0.830 29 A CB 0.353 19.386 19.000 0.055 0.000 1.234 29 A HN 0.435 nan 8.150 nan 0.000 0.483 30 P HA 0.407 nan 4.420 nan 0.000 0.270 30 P C 0.242 177.577 177.300 0.059 0.000 1.221 30 P CA 0.607 63.745 63.100 0.062 0.000 0.788 30 P CB 0.553 32.295 31.700 0.069 0.000 0.904 31 G N -1.364 107.470 108.800 0.057 0.000 2.328 31 G HA2 0.267 4.345 3.960 0.198 0.000 0.299 31 G HA3 0.267 4.345 3.960 0.198 0.000 0.299 31 G C -0.065 174.872 174.900 0.063 0.000 1.435 31 G CA 0.258 45.392 45.100 0.057 0.000 0.865 31 G HN 0.458 nan 8.290 nan 0.000 0.601 32 S N -1.233 114.507 115.700 0.065 0.000 2.539 32 S HA 0.086 4.675 4.470 0.198 0.000 0.226 32 S C 1.940 176.532 174.600 -0.013 0.000 1.054 32 S CA 0.931 59.182 58.200 0.086 0.000 0.910 32 S CB 0.060 63.348 63.200 0.147 0.000 0.818 32 S HN 0.530 nan 8.310 nan 0.000 0.490 33 R N 1.879 122.377 120.500 -0.002 0.000 2.246 33 R HA 0.242 4.701 4.340 0.198 0.000 0.199 33 R C 1.917 178.184 176.300 -0.055 0.000 0.984 33 R CA 1.380 57.470 56.100 -0.016 0.000 1.015 33 R CB -0.548 29.786 30.300 0.056 0.000 0.930 33 R HN 0.479 nan 8.270 nan 0.000 0.475 34 S N -2.202 113.474 115.700 -0.040 0.000 2.558 34 S HA -0.022 4.567 4.470 0.198 0.000 0.217 34 S C 1.741 176.247 174.600 -0.156 0.000 0.975 34 S CA 0.708 58.876 58.200 -0.053 0.000 0.912 34 S CB -0.142 63.072 63.200 0.022 0.000 0.776 34 S HN 0.203 nan 8.310 nan 0.000 0.526 35 T N 2.801 117.237 114.554 -0.197 0.000 2.699 35 T HA -0.042 4.427 4.350 0.198 0.000 0.268 35 T C 1.502 176.062 174.700 -0.234 0.000 1.036 35 T CA 1.778 63.768 62.100 -0.183 0.000 1.147 35 T CB -0.657 68.096 68.868 -0.193 0.000 0.862 35 T HN 0.485 nan 8.240 nan 0.000 0.446 36 L N 0.135 121.108 121.223 -0.417 0.000 2.093 36 L HA -0.008 4.451 4.340 0.198 0.000 0.208 36 L C 2.463 179.198 176.870 -0.226 0.000 1.085 36 L CA 1.056 55.664 54.840 -0.387 0.000 0.755 36 L CB -0.536 41.091 42.059 -0.720 0.000 0.904 36 L HN 0.263 nan 8.230 nan 0.000 0.435 37 L N -1.163 119.922 121.223 -0.230 0.000 2.056 37 L HA -0.130 4.329 4.340 0.198 0.000 0.207 37 L C 2.590 179.450 176.870 -0.017 0.000 1.078 37 L CA 1.261 56.082 54.840 -0.031 0.000 0.749 37 L CB -1.012 41.087 42.059 0.067 0.000 0.901 37 L HN 0.159 nan 8.230 nan 0.000 0.433 38 T N 0.265 114.792 114.554 -0.045 0.000 2.777 38 T HA -0.088 4.381 4.350 0.198 0.000 0.266 38 T C 2.009 176.692 174.700 -0.027 0.000 1.040 38 T CA 1.047 63.130 62.100 -0.028 0.000 1.141 38 T CB -0.172 68.684 68.868 -0.020 0.000 0.868 38 T HN 0.152 nan 8.240 nan 0.000 0.444 39 L N 0.743 121.949 121.223 -0.029 0.000 2.012 39 L HA -0.162 4.297 4.340 0.198 0.000 0.210 39 L C 3.015 179.899 176.870 0.024 0.000 1.073 39 L CA 1.729 56.564 54.840 -0.008 0.000 0.748 39 L CB -0.811 41.242 42.059 -0.011 0.000 0.891 39 L HN 0.274 nan 8.230 nan 0.000 0.431 40 A N -0.466 122.380 122.820 0.045 0.000 2.014 40 A HA 0.004 4.443 4.320 0.198 0.000 0.218 40 A C 2.474 180.154 177.584 0.160 0.000 1.163 40 A CA 1.302 53.404 52.037 0.110 0.000 0.652 40 A CB -0.423 18.658 19.000 0.135 0.000 0.808 40 A HN 0.411 nan 8.150 nan 0.000 0.449 41 A N -0.240 122.648 122.820 0.113 0.000 1.930 41 A HA 0.259 4.698 4.320 0.198 0.000 0.217 41 A C 2.312 180.009 177.584 0.188 0.000 1.175 41 A CA 1.739 53.866 52.037 0.150 0.000 0.627 41 A CB -0.647 18.352 19.000 -0.001 0.000 0.815 41 A HN 0.976 nan 8.150 nan 0.000 0.443 42 A N -1.025 121.775 122.820 -0.032 0.000 2.132 42 A HA 0.133 4.572 4.320 0.198 0.000 0.213 42 A C 1.752 179.310 177.584 -0.043 0.000 1.154 42 A CA 0.983 52.862 52.037 -0.264 0.000 0.753 42 A CB -0.190 18.645 19.000 -0.275 0.000 0.826 42 A HN 0.566 nan 8.150 nan 0.000 0.469 43 E N -0.063 120.174 120.200 0.060 0.000 2.299 43 E HA -0.045 4.423 4.350 0.198 0.000 0.193 43 E C 0.186 176.863 176.600 0.129 0.000 0.998 43 E CA -0.160 56.288 56.400 0.079 0.000 0.851 43 E CB 0.111 29.856 29.700 0.075 0.000 0.795 43 E HN 0.472 nan 8.360 nan 0.000 0.492 44 N N 0.612 119.441 118.700 0.215 0.000 2.437 44 N HA -0.016 4.843 4.740 0.198 0.000 0.243 44 N C 0.390 176.023 175.510 0.205 0.000 1.041 44 N CA 0.048 53.224 53.050 0.210 0.000 0.940 44 N CB 1.217 39.869 38.487 0.274 0.000 1.133 44 N HN -0.080 nan 8.380 nan 0.000 0.506 45 S N 2.352 118.096 115.700 0.073 0.000 2.561 45 S HA -0.005 4.584 4.470 0.198 0.000 0.225 45 S C 1.683 176.224 174.600 -0.098 0.000 0.977 45 S CA 0.372 58.596 58.200 0.040 0.000 0.926 45 S CB -0.033 63.178 63.200 0.018 0.000 0.769 45 S HN 0.516 nan 8.310 nan 0.000 0.533 46 A N 0.526 123.188 122.820 -0.263 0.000 2.125 46 A HA 0.282 4.720 4.320 0.198 0.000 0.219 46 A C 0.372 177.659 177.584 -0.495 0.000 1.156 46 A CA 0.430 52.211 52.037 -0.427 0.000 0.671 46 A CB -0.574 18.075 19.000 -0.585 0.000 0.794 46 A HN 0.519 nan 8.150 nan 0.000 0.459 47 F N -1.003 118.855 119.950 -0.152 0.000 2.440 47 F HA 0.597 5.245 4.527 0.202 0.000 0.328 47 F C 0.176 175.627 175.800 -0.581 0.000 1.070 47 F CA -1.307 56.488 58.000 -0.342 0.000 1.011 47 F CB 0.975 39.763 39.000 -0.353 0.000 1.226 47 F HN -0.143 nan 8.300 nan 0.000 0.491 48 I N 1.953 122.339 120.570 -0.308 0.000 2.330 48 I HA 0.264 4.553 4.170 0.198 0.000 0.289 48 I C -0.927 174.896 176.117 -0.490 0.000 1.001 48 I CA -0.659 60.397 61.300 -0.407 0.000 1.193 48 I CB 0.732 38.580 38.000 -0.253 0.000 1.345 48 I HN 0.510 nan 8.210 nan 0.000 0.461 49 H N 4.743 123.727 119.070 -0.144 0.000 2.517 49 H HA 0.476 5.150 4.556 0.196 0.000 0.317 49 H C -0.616 174.537 175.328 -0.292 0.000 1.080 49 H CA -0.531 55.430 56.048 -0.145 0.000 1.301 49 H CB 0.593 30.329 29.762 -0.043 0.000 1.425 49 H HN 0.433 nan 8.280 nan 0.000 0.471 50 H N 1.650 120.809 119.070 0.148 0.000 2.524 50 H HA 0.410 5.085 4.556 0.199 0.000 0.353 50 H C -0.016 175.363 175.328 0.086 0.000 1.136 50 H CA -0.662 55.442 56.048 0.094 0.000 1.193 50 H CB 1.996 31.784 29.762 0.043 0.000 1.558 50 H HN 0.799 nan 8.280 nan 0.000 0.515 51 T N -0.303 114.371 114.554 0.200 0.000 2.906 51 T HA 0.513 4.981 4.350 0.198 0.000 0.295 51 T C -0.902 173.903 174.700 0.175 0.000 1.061 51 T CA -0.825 61.368 62.100 0.154 0.000 1.000 51 T CB 2.795 71.738 68.868 0.126 0.000 1.103 51 T HN 0.727 nan 8.240 nan 0.000 0.486 52 H N 0.783 119.848 119.070 -0.009 0.000 3.094 52 H HA 0.423 5.092 4.556 0.188 0.000 0.346 52 H C -0.152 175.095 175.328 -0.134 0.000 1.238 52 H CA -1.445 54.515 56.048 -0.146 0.000 1.209 52 H CB 0.964 30.588 29.762 -0.229 0.000 1.911 52 H HN 0.590 nan 8.280 nan 0.000 0.540 53 F N -0.025 119.583 119.950 -0.569 0.000 2.512 53 F HA 0.250 4.890 4.527 0.189 0.000 0.296 53 F C 0.419 176.040 175.800 -0.299 0.000 1.110 53 F CA -0.167 57.649 58.000 -0.307 0.000 1.446 53 F CB 0.217 39.102 39.000 -0.192 0.000 1.092 53 F HN 0.316 nan 8.300 nan 0.000 0.554 54 D N 1.406 121.349 120.400 -0.761 0.000 2.373 54 D HA 0.117 4.876 4.640 0.198 0.000 0.227 54 D C 0.463 176.759 176.300 -0.006 0.000 1.091 54 D CA -0.048 53.845 54.000 -0.179 0.000 0.840 54 D CB 1.286 42.038 40.800 -0.079 0.000 1.060 54 D HN 0.212 nan 8.370 nan 0.000 0.502 55 E N 2.093 122.329 120.200 0.060 0.000 2.338 55 E HA -0.085 4.384 4.350 0.198 0.000 0.197 55 E C 1.725 178.386 176.600 0.101 0.000 1.007 55 E CA 0.541 56.988 56.400 0.079 0.000 0.849 55 E CB 0.309 30.058 29.700 0.082 0.000 0.774 55 E HN 0.384 nan 8.360 nan 0.000 0.506 56 R N -0.231 120.352 120.500 0.139 0.000 2.100 56 R HA -0.019 4.440 4.340 0.198 0.000 0.220 56 R C 2.158 178.615 176.300 0.262 0.000 1.091 56 R CA 1.210 57.423 56.100 0.189 0.000 0.986 56 R CB -0.196 30.238 30.300 0.223 0.000 0.888 56 R HN 0.254 nan 8.270 nan 0.000 0.444 57 G N 1.230 110.162 108.800 0.219 0.000 2.403 57 G HA2 -0.232 3.847 3.960 0.198 0.000 0.216 57 G HA3 -0.232 3.847 3.960 0.198 0.000 0.216 57 G C 1.327 176.295 174.900 0.113 0.000 1.154 57 G CA 0.410 45.617 45.100 0.178 0.000 0.784 57 G HN 0.282 nan 8.290 nan 0.000 0.538 58 L N 1.378 122.698 121.223 0.163 0.000 2.012 58 L HA 0.076 4.534 4.340 0.198 0.000 0.210 58 L C 2.874 179.744 176.870 0.001 0.000 1.073 58 L CA 2.377 57.262 54.840 0.075 0.000 0.748 58 L CB -0.815 41.294 42.059 0.084 0.000 0.891 58 L HN 0.187 nan 8.230 nan 0.000 0.431 59 G N -1.856 106.939 108.800 -0.009 0.000 2.505 59 G HA2 -0.359 3.720 3.960 0.198 0.000 0.220 59 G HA3 -0.359 3.720 3.960 0.198 0.000 0.220 59 G C 1.272 176.049 174.900 -0.205 0.000 1.145 59 G CA 1.424 46.450 45.100 -0.124 0.000 0.761 59 G HN 0.606 nan 8.290 nan 0.000 0.571 60 H N -0.994 118.037 119.070 -0.065 0.000 2.403 60 H HA 0.122 4.771 4.556 0.154 0.000 0.298 60 H C 2.274 177.515 175.328 -0.145 0.000 1.059 60 H CA 0.748 56.740 56.048 -0.092 0.000 1.363 60 H CB -0.048 29.665 29.762 -0.083 0.000 1.410 60 H HN 0.269 nan 8.280 nan 0.000 0.528 61 L N 0.983 122.162 121.223 -0.074 0.000 1.971 61 L HA -0.219 4.240 4.340 0.198 0.000 0.215 61 L C 2.384 179.146 176.870 -0.180 0.000 1.072 61 L CA 2.105 56.838 54.840 -0.178 0.000 0.758 61 L CB -1.156 40.779 42.059 -0.207 0.000 0.889 61 L HN 0.259 nan 8.230 nan 0.000 0.433 62 A N -0.654 122.085 122.820 -0.135 0.000 1.892 62 A HA -0.265 4.174 4.320 0.198 0.000 0.218 62 A C 2.301 179.811 177.584 -0.123 0.000 1.188 62 A CA 2.223 54.188 52.037 -0.120 0.000 0.631 62 A CB -1.244 17.710 19.000 -0.077 0.000 0.822 62 A HN 0.585 nan 8.150 nan 0.000 0.447 63 L N 0.033 121.184 121.223 -0.121 0.000 1.963 63 L HA -0.157 4.302 4.340 0.198 0.000 0.220 63 L C 2.486 179.301 176.870 -0.091 0.000 1.076 63 L CA 2.858 57.639 54.840 -0.097 0.000 0.772 63 L CB -1.238 40.763 42.059 -0.096 0.000 0.892 63 L HN 0.350 nan 8.230 nan 0.000 0.435 64 G N -0.331 108.401 108.800 -0.113 0.000 2.574 64 G HA2 -0.333 3.745 3.960 0.198 0.000 0.220 64 G HA3 -0.333 3.745 3.960 0.198 0.000 0.220 64 G C 1.619 176.385 174.900 -0.223 0.000 1.173 64 G CA 1.478 46.474 45.100 -0.172 0.000 0.772 64 G HN 0.489 nan 8.290 nan 0.000 0.585 65 L N 0.501 121.569 121.223 -0.258 0.000 2.079 65 L HA -0.103 4.355 4.340 0.198 0.000 0.210 65 L C 3.369 180.125 176.870 -0.190 0.000 1.081 65 L CA 1.111 55.763 54.840 -0.313 0.000 0.752 65 L CB -0.353 41.450 42.059 -0.426 0.000 0.896 65 L HN 0.362 nan 8.230 nan 0.000 0.433 66 A N -0.468 122.278 122.820 -0.124 0.000 1.930 66 A HA -0.170 4.269 4.320 0.198 0.000 0.215 66 A C 2.353 179.902 177.584 -0.059 0.000 1.176 66 A CA 1.127 53.128 52.037 -0.061 0.000 0.632 66 A CB -0.298 18.677 19.000 -0.042 0.000 0.819 66 A HN 0.238 nan 8.150 nan 0.000 0.445 67 K N -0.283 120.071 120.400 -0.076 0.000 2.152 67 K HA -0.115 4.324 4.320 0.198 0.000 0.206 67 K C 1.574 178.117 176.600 -0.095 0.000 1.048 67 K CA 1.692 57.953 56.287 -0.044 0.000 0.933 67 K CB -0.104 32.384 32.500 -0.020 0.000 0.721 67 K HN 0.324 nan 8.250 nan 0.000 0.447 68 V N -0.226 119.567 119.914 -0.201 0.000 2.581 68 V HA -0.115 4.124 4.120 0.198 0.000 0.240 68 V C 2.092 178.131 176.094 -0.092 0.000 1.054 68 V CA 1.556 63.701 62.300 -0.259 0.000 1.076 68 V CB 0.455 32.028 31.823 -0.417 0.000 0.748 68 V HN 0.414 nan 8.190 nan 0.000 0.474 69 S N -1.184 114.478 115.700 -0.063 0.000 2.436 69 S HA -0.113 4.476 4.470 0.198 0.000 0.228 69 S C 1.269 175.876 174.600 0.012 0.000 1.014 69 S CA 0.554 58.754 58.200 0.000 0.000 0.950 69 S CB -0.133 63.101 63.200 0.056 0.000 0.784 69 S HN 0.407 nan 8.310 nan 0.000 0.504 70 K N 0.356 120.759 120.400 0.004 0.000 3.341 70 K HA -0.157 4.282 4.320 0.198 0.000 0.305 70 K C -0.645 175.960 176.600 0.010 0.000 1.270 70 K CA 1.101 57.392 56.287 0.006 0.000 0.897 70 K CB -2.183 30.322 32.500 0.008 0.000 1.264 70 K HN 0.794 nan 8.250 nan 0.000 0.468 71 Q N 0.749 120.565 119.800 0.026 0.000 2.226 71 Q HA 0.445 4.903 4.340 0.198 0.000 0.256 71 Q C -2.340 173.687 176.000 0.044 0.000 0.962 71 Q CA -2.167 53.660 55.803 0.041 0.000 0.887 71 Q CB 1.258 30.034 28.738 0.064 0.000 1.282 71 Q HN -0.075 nan 8.270 nan 0.000 0.449 72 P HA 0.025 nan 4.420 nan 0.000 0.268 72 P C -0.880 176.463 177.300 0.073 0.000 1.205 72 P CA 0.022 63.151 63.100 0.048 0.000 0.771 72 P CB 0.690 32.422 31.700 0.054 0.000 0.858 73 V N 2.534 122.480 119.914 0.053 0.000 2.555 73 V HA 0.595 4.834 4.120 0.198 0.000 0.302 73 V C 0.387 176.505 176.094 0.040 0.000 1.038 73 V CA -0.792 61.549 62.300 0.068 0.000 0.887 73 V CB 1.682 33.527 31.823 0.037 0.000 0.991 73 V HN 0.743 nan 8.190 nan 0.000 0.434 74 A N 4.527 127.369 122.820 0.036 0.000 2.303 74 A HA 0.886 5.325 4.320 0.198 0.000 0.317 74 A C -0.682 176.897 177.584 -0.008 0.000 1.149 74 A CA -0.459 51.576 52.037 -0.003 0.000 0.822 74 A CB 1.255 20.219 19.000 -0.061 0.000 1.131 74 A HN 0.749 nan 8.150 nan 0.000 0.493 75 V N 1.630 121.545 119.914 0.003 0.000 2.823 75 V HA 0.551 4.789 4.120 0.198 0.000 0.312 75 V C -0.552 175.560 176.094 0.031 0.000 1.072 75 V CA -0.326 61.983 62.300 0.015 0.000 0.937 75 V CB 1.675 33.508 31.823 0.016 0.000 1.013 75 V HN 0.744 nan 8.190 nan 0.000 0.430 76 I N 3.862 124.454 120.570 0.036 0.000 2.439 76 I HA 0.629 4.918 4.170 0.198 0.000 0.285 76 I C -0.524 175.632 176.117 0.066 0.000 1.021 76 I CA -0.639 60.693 61.300 0.054 0.000 1.091 76 I CB 1.968 39.989 38.000 0.035 0.000 1.242 76 I HN 0.613 nan 8.210 nan 0.000 0.439 77 V N 1.751 121.717 119.914 0.087 0.000 3.001 77 V HA 0.667 4.906 4.120 0.198 0.000 0.314 77 V C -0.135 176.017 176.094 0.095 0.000 1.099 77 V CA -0.556 61.797 62.300 0.088 0.000 0.989 77 V CB 1.671 33.553 31.823 0.098 0.000 1.040 77 V HN 0.650 nan 8.190 nan 0.000 0.434 78 T N 1.307 115.911 114.554 0.083 0.000 2.824 78 T HA 0.471 4.940 4.350 0.198 0.000 0.277 78 T C 0.562 175.314 174.700 0.086 0.000 0.975 78 T CA 0.421 62.570 62.100 0.082 0.000 0.966 78 T CB 1.078 69.985 68.868 0.065 0.000 1.054 78 T HN 1.767 nan 8.240 nan 0.000 0.533 79 S N 0.685 116.434 115.700 0.082 0.000 2.593 79 S HA 0.622 5.210 4.470 0.198 0.000 0.269 79 S C 0.842 175.472 174.600 0.051 0.000 1.334 79 S CA 0.205 58.446 58.200 0.069 0.000 1.015 79 S CB -0.011 63.229 63.200 0.067 0.000 0.912 79 S HN 1.840 nan 8.310 nan 0.000 0.541 80 G N 1.147 109.967 108.800 0.033 0.000 2.482 80 G HA2 -0.195 3.884 3.960 0.198 0.000 0.214 80 G HA3 -0.195 3.884 3.960 0.198 0.000 0.214 80 G C 0.650 175.564 174.900 0.022 0.000 1.271 80 G CA 0.684 45.799 45.100 0.024 0.000 0.944 80 G HN 1.917 nan 8.290 nan 0.000 0.568 81 T N -0.953 113.619 114.554 0.030 0.000 2.929 81 T HA 0.249 4.718 4.350 0.198 0.000 0.271 81 T C 2.590 177.327 174.700 0.063 0.000 1.085 81 T CA 2.504 64.629 62.100 0.041 0.000 1.125 81 T CB -0.463 68.433 68.868 0.047 0.000 0.874 81 T HN 2.115 nan 8.240 nan 0.000 0.494 82 A N 1.341 124.200 122.820 0.065 0.000 1.927 82 A HA -0.043 4.395 4.320 0.198 0.000 0.220 82 A C 2.598 180.240 177.584 0.097 0.000 1.185 82 A CA 2.030 54.115 52.037 0.080 0.000 0.639 82 A CB -1.165 17.880 19.000 0.075 0.000 0.820 82 A HN 0.480 nan 8.150 nan 0.000 0.451 83 V N -0.439 119.526 119.914 0.086 0.000 2.283 83 V HA -0.176 4.063 4.120 0.198 0.000 0.243 83 V C 3.031 179.229 176.094 0.172 0.000 1.039 83 V CA 1.779 64.150 62.300 0.119 0.000 1.016 83 V CB -1.411 30.426 31.823 0.024 0.000 0.650 83 V HN 0.611 nan 8.190 nan 0.000 0.449 84 A N 0.284 123.147 122.820 0.071 0.000 1.986 84 A HA -0.259 4.180 4.320 0.198 0.000 0.220 84 A C 1.993 179.700 177.584 0.204 0.000 1.171 84 A CA 1.975 54.075 52.037 0.105 0.000 0.640 84 A CB -0.831 18.192 19.000 0.038 0.000 0.811 84 A HN 0.632 nan 8.150 nan 0.000 0.451 85 N N -0.294 118.502 118.700 0.160 0.000 2.609 85 N HA -0.019 4.840 4.740 0.198 0.000 0.190 85 N C 1.052 176.641 175.510 0.132 0.000 1.157 85 N CA 0.705 53.847 53.050 0.155 0.000 0.918 85 N CB -0.100 38.465 38.487 0.130 0.000 0.978 85 N HN 0.527 nan 8.380 nan 0.000 0.448 86 L N -0.626 120.671 121.223 0.123 0.000 2.567 86 L HA 0.015 4.474 4.340 0.198 0.000 0.225 86 L C 1.886 178.693 176.870 -0.106 0.000 1.119 86 L CA -0.040 54.792 54.840 -0.013 0.000 0.871 86 L CB -0.272 41.762 42.059 -0.042 0.000 1.036 86 L HN 0.061 nan 8.230 nan 0.000 0.459 87 Y N 1.892 122.127 120.300 -0.107 0.000 2.128 87 Y HA -0.155 4.489 4.550 0.156 0.000 0.284 87 Y C -0.120 175.649 175.900 -0.219 0.000 1.154 87 Y CA 0.986 58.965 58.100 -0.201 0.000 1.149 87 Y CB -1.612 36.880 38.460 0.053 0.000 0.976 87 Y HN 0.120 nan 8.280 nan 0.000 0.505 88 P HA -0.220 nan 4.420 nan 0.000 0.213 88 P C 1.632 178.829 177.300 -0.172 0.000 1.170 88 P CA 2.839 65.919 63.100 -0.035 0.000 0.902 88 P CB -0.313 31.487 31.700 0.167 0.000 0.789 89 A N -0.896 121.671 122.820 -0.421 0.000 1.940 89 A HA -0.200 4.239 4.320 0.198 0.000 0.219 89 A C 2.154 179.568 177.584 -0.283 0.000 1.176 89 A CA 1.666 53.378 52.037 -0.541 0.000 0.631 89 A CB -1.712 16.862 19.000 -0.710 0.000 0.814 89 A HN 0.176 nan 8.150 nan 0.000 0.446 90 L N -0.045 121.017 121.223 -0.268 0.000 2.017 90 L HA -0.129 4.330 4.340 0.198 0.000 0.208 90 L C 2.183 178.954 176.870 -0.165 0.000 1.073 90 L CA 2.000 56.692 54.840 -0.246 0.000 0.745 90 L CB -0.561 41.250 42.059 -0.415 0.000 0.894 90 L HN 0.406 nan 8.230 nan 0.000 0.432 91 I N -0.370 120.080 120.570 -0.200 0.000 2.315 91 I HA -0.229 4.059 4.170 0.198 0.000 0.248 91 I C 2.465 178.527 176.117 -0.092 0.000 1.117 91 I CA 1.316 62.501 61.300 -0.191 0.000 1.404 91 I CB -0.384 37.356 38.000 -0.434 0.000 1.071 91 I HN 0.351 nan 8.210 nan 0.000 0.419 92 E N 1.536 121.679 120.200 -0.095 0.000 2.160 92 E HA -0.224 4.245 4.350 0.198 0.000 0.195 92 E C 2.098 178.677 176.600 -0.036 0.000 0.991 92 E CA 1.638 58.011 56.400 -0.045 0.000 0.810 92 E CB -0.146 29.546 29.700 -0.014 0.000 0.742 92 E HN 0.442 nan 8.360 nan 0.000 0.466 93 A N 0.191 122.974 122.820 -0.062 0.000 1.898 93 A HA -0.008 4.430 4.320 0.198 0.000 0.216 93 A C 2.508 180.076 177.584 -0.026 0.000 1.181 93 A CA 1.577 53.585 52.037 -0.049 0.000 0.620 93 A CB -1.363 17.591 19.000 -0.075 0.000 0.819 93 A HN 0.417 nan 8.150 nan 0.000 0.442 94 G N -0.483 108.308 108.800 -0.015 0.000 2.485 94 G HA2 -0.154 3.925 3.960 0.198 0.000 0.221 94 G HA3 -0.154 3.925 3.960 0.198 0.000 0.221 94 G C 1.464 176.373 174.900 0.015 0.000 1.115 94 G CA 1.208 46.319 45.100 0.017 0.000 0.751 94 G HN 0.451 nan 8.290 nan 0.000 0.567 95 L N 0.034 121.262 121.223 0.009 0.000 2.286 95 L HA 0.105 4.564 4.340 0.198 0.000 0.203 95 L C 3.002 179.874 176.870 0.004 0.000 1.068 95 L CA 1.442 56.286 54.840 0.007 0.000 0.811 95 L CB -0.106 41.956 42.059 0.005 0.000 0.989 95 L HN 0.347 nan 8.230 nan 0.000 0.467 96 T N -4.466 110.091 114.554 0.005 0.000 3.037 96 T HA 0.290 4.759 4.350 0.198 0.000 0.251 96 T C 1.366 176.073 174.700 0.012 0.000 1.079 96 T CA 0.660 62.767 62.100 0.011 0.000 1.067 96 T CB 0.976 69.856 68.868 0.020 0.000 0.948 96 T HN 0.400 nan 8.240 nan 0.000 0.496 97 G N 0.814 109.618 108.800 0.006 0.000 2.255 97 G HA2 -0.164 3.914 3.960 0.198 0.000 0.196 97 G HA3 -0.164 3.914 3.960 0.198 0.000 0.196 97 G C -0.255 174.639 174.900 -0.010 0.000 0.998 97 G CA -0.302 44.800 45.100 0.004 0.000 0.656 97 G HN 0.562 nan 8.290 nan 0.000 0.490 98 E N 1.623 121.817 120.200 -0.011 0.000 2.608 98 E HA 0.303 4.771 4.350 0.198 0.000 0.259 98 E C 0.426 177.010 176.600 -0.027 0.000 0.951 98 E CA 0.764 57.153 56.400 -0.019 0.000 0.945 98 E CB 0.327 30.011 29.700 -0.027 0.000 0.916 98 E HN 0.483 nan 8.360 nan 0.000 0.477 99 K N 3.691 124.077 120.400 -0.022 0.000 2.263 99 K HA 0.303 4.742 4.320 0.198 0.000 0.282 99 K C -0.440 176.151 176.600 -0.016 0.000 1.089 99 K CA -0.123 56.152 56.287 -0.019 0.000 0.907 99 K CB 0.531 33.025 32.500 -0.010 0.000 1.148 99 K HN 0.306 nan 8.250 nan 0.000 0.470 100 L N 4.591 125.798 121.223 -0.027 0.000 2.341 100 L HA 0.507 4.966 4.340 0.198 0.000 0.278 100 L C -0.374 176.491 176.870 -0.010 0.000 1.005 100 L CA -1.097 53.726 54.840 -0.027 0.000 0.818 100 L CB 1.387 43.409 42.059 -0.062 0.000 1.259 100 L HN 0.460 nan 8.230 nan 0.000 0.418 101 I N 4.941 125.517 120.570 0.010 0.000 2.354 101 I HA 0.318 4.606 4.170 0.198 0.000 0.286 101 I C -0.261 175.884 176.117 0.047 0.000 1.007 101 I CA -0.406 60.914 61.300 0.033 0.000 1.167 101 I CB 1.517 39.538 38.000 0.035 0.000 1.320 101 I HN 0.462 nan 8.210 nan 0.000 0.458 102 L N 6.852 128.125 121.223 0.083 0.000 2.259 102 L HA 0.425 4.884 4.340 0.198 0.000 0.288 102 L C -0.061 176.922 176.870 0.188 0.000 1.051 102 L CA -0.348 54.568 54.840 0.126 0.000 0.824 102 L CB 0.389 42.527 42.059 0.132 0.000 1.206 102 L HN 0.360 nan 8.230 nan 0.000 0.429 103 L N 4.016 125.323 121.223 0.140 0.000 2.282 103 L HA 0.314 4.773 4.340 0.198 0.000 0.287 103 L C 0.452 177.428 176.870 0.177 0.000 1.075 103 L CA -0.275 54.654 54.840 0.149 0.000 0.839 103 L CB 0.378 42.508 42.059 0.118 0.000 1.219 103 L HN 0.611 nan 8.230 nan 0.000 0.434 104 T N 0.175 114.858 114.554 0.216 0.000 2.821 104 T HA 0.668 5.137 4.350 0.198 0.000 0.307 104 T C 0.303 175.119 174.700 0.194 0.000 1.034 104 T CA -0.700 61.533 62.100 0.221 0.000 0.953 104 T CB 1.470 70.532 68.868 0.324 0.000 0.968 104 T HN 0.548 nan 8.240 nan 0.000 0.462 105 A N 3.192 126.134 122.820 0.205 0.000 2.448 105 A HA 0.554 4.993 4.320 0.198 0.000 0.239 105 A C 0.326 178.017 177.584 0.179 0.000 1.080 105 A CA -0.236 51.958 52.037 0.261 0.000 0.779 105 A CB 0.155 19.299 19.000 0.239 0.000 1.026 105 A HN 0.937 nan 8.150 nan 0.000 0.499 106 D N -0.902 119.606 120.400 0.180 0.000 2.623 106 D HA 0.311 5.069 4.640 0.198 0.000 0.241 106 D C -0.740 175.608 176.300 0.080 0.000 1.241 106 D CA -0.601 53.453 54.000 0.090 0.000 0.788 106 D CB 1.123 41.945 40.800 0.037 0.000 1.413 106 D HN 0.441 nan 8.370 nan 0.000 0.429 107 R N 1.317 121.844 120.500 0.045 0.000 2.679 107 R HA 0.429 4.888 4.340 0.198 0.000 0.269 107 R C -1.962 174.335 176.300 -0.005 0.000 1.076 107 R CA -1.389 54.728 56.100 0.029 0.000 1.160 107 R CB -0.500 29.812 30.300 0.020 0.000 1.054 107 R HN 0.329 nan 8.270 nan 0.000 0.507 108 P HA 0.139 nan 4.420 nan 0.000 0.276 108 P C -1.907 175.368 177.300 -0.041 0.000 1.252 108 P CA -1.483 61.587 63.100 -0.049 0.000 0.802 108 P CB 0.223 31.890 31.700 -0.055 0.000 1.035 109 P HA -0.254 nan 4.420 nan 0.000 0.217 109 P C 1.184 178.465 177.300 -0.032 0.000 1.162 109 P CA 1.880 64.955 63.100 -0.041 0.000 0.901 109 P CB -0.231 31.439 31.700 -0.050 0.000 0.793 110 E N -0.042 120.137 120.200 -0.035 0.000 2.169 110 E HA -0.170 4.299 4.350 0.198 0.000 0.202 110 E C 1.833 178.421 176.600 -0.019 0.000 1.016 110 E CA 1.004 57.388 56.400 -0.027 0.000 0.817 110 E CB -1.167 28.516 29.700 -0.028 0.000 0.736 110 E HN 0.321 nan 8.360 nan 0.000 0.462 111 L N 0.799 122.013 121.223 -0.016 0.000 2.653 111 L HA 0.129 4.588 4.340 0.198 0.000 0.232 111 L C -0.205 176.661 176.870 -0.007 0.000 1.169 111 L CA -0.432 54.403 54.840 -0.009 0.000 0.951 111 L CB 0.094 42.151 42.059 -0.003 0.000 1.181 111 L HN 0.081 nan 8.230 nan 0.000 0.460 112 I N 0.125 120.688 120.570 -0.012 0.000 2.336 112 I HA 0.220 4.509 4.170 0.198 0.000 0.292 112 I C 0.316 176.427 176.117 -0.010 0.000 0.991 112 I CA -0.157 61.137 61.300 -0.011 0.000 1.227 112 I CB 1.041 39.032 38.000 -0.015 0.000 1.366 112 I HN 0.077 nan 8.210 nan 0.000 0.466 113 D N 3.714 124.110 120.400 -0.008 0.000 2.947 113 D HA -0.171 4.588 4.640 0.198 0.000 0.224 113 D C 0.649 176.946 176.300 -0.006 0.000 1.132 113 D CA 1.102 55.098 54.000 -0.007 0.000 0.801 113 D CB -1.143 39.652 40.800 -0.008 0.000 1.097 113 D HN 0.850 nan 8.370 nan 0.000 0.431 114 C N -2.855 116.442 119.300 -0.005 0.000 3.365 114 C HA 0.720 5.299 4.460 0.198 0.000 0.266 114 C C 1.720 176.709 174.990 -0.002 0.000 1.631 114 C CA 0.621 59.636 59.018 -0.004 0.000 1.789 114 C CB 0.051 27.788 27.740 -0.006 0.000 3.088 114 C HN 0.806 nan 8.230 nan 0.000 0.547 115 G N 1.292 110.091 108.800 -0.001 0.000 2.148 115 G HA2 0.124 4.203 3.960 0.198 0.000 0.254 115 G HA3 0.124 4.203 3.960 0.198 0.000 0.254 115 G C 0.323 175.224 174.900 0.003 0.000 0.981 115 G CA 0.315 45.416 45.100 0.001 0.000 0.670 115 G HN 1.794 nan 8.290 nan 0.000 0.528 116 A N 0.013 122.835 122.820 0.003 0.000 2.477 116 A HA 0.490 4.929 4.320 0.198 0.000 0.246 116 A C 0.790 178.380 177.584 0.009 0.000 1.078 116 A CA 0.361 52.401 52.037 0.006 0.000 0.770 116 A CB 0.191 19.195 19.000 0.005 0.000 1.011 116 A HN 0.650 nan 8.150 nan 0.000 0.494 117 N N 1.508 120.215 118.700 0.011 0.000 2.407 117 N HA -0.044 4.815 4.740 0.198 0.000 0.250 117 N C 0.229 175.750 175.510 0.018 0.000 1.236 117 N CA 0.725 53.784 53.050 0.014 0.000 0.879 117 N CB 0.209 38.706 38.487 0.016 0.000 1.088 117 N HN 0.814 nan 8.380 nan 0.000 0.450 118 Q N 0.100 119.911 119.800 0.019 0.000 2.453 118 Q HA -0.245 4.214 4.340 0.198 0.000 0.294 118 Q C -1.606 174.406 176.000 0.021 0.000 1.295 118 Q CA 0.649 56.465 55.803 0.022 0.000 0.853 118 Q CB -1.198 27.558 28.738 0.029 0.000 1.193 118 Q HN 0.598 nan 8.270 nan 0.000 0.461 119 A N 1.332 124.160 122.820 0.013 0.000 2.466 119 A HA 0.682 5.121 4.320 0.198 0.000 0.291 119 A C -0.268 177.316 177.584 0.001 0.000 1.234 119 A CA -0.569 51.474 52.037 0.009 0.000 0.752 119 A CB 0.569 19.574 19.000 0.007 0.000 1.153 119 A HN 0.494 nan 8.150 nan 0.000 0.458 120 I N -1.606 118.961 120.570 -0.004 0.000 2.957 120 I HA 0.632 4.920 4.170 0.198 0.000 0.310 120 I C -0.056 176.047 176.117 -0.024 0.000 1.063 120 I CA -1.311 59.980 61.300 -0.016 0.000 1.033 120 I CB 1.801 39.788 38.000 -0.022 0.000 1.230 120 I HN 0.438 nan 8.210 nan 0.000 0.447 121 R N 2.835 123.316 120.500 -0.031 0.000 2.387 121 R HA 0.105 4.564 4.340 0.198 0.000 0.321 121 R C 0.303 176.568 176.300 -0.057 0.000 1.174 121 R CA 0.124 56.202 56.100 -0.035 0.000 1.002 121 R CB 0.406 30.687 30.300 -0.031 0.000 1.028 121 R HN 0.728 nan 8.270 nan 0.000 0.482 122 Q N 1.934 121.709 119.800 -0.043 0.000 2.165 122 Q HA 0.056 4.515 4.340 0.198 0.000 0.197 122 Q C -1.540 174.457 176.000 -0.005 0.000 0.952 122 Q CA 0.150 55.923 55.803 -0.049 0.000 0.848 122 Q CB -0.288 28.446 28.738 -0.007 0.000 0.931 122 Q HN 0.406 nan 8.270 nan 0.000 0.470 123 P HA 0.012 nan 4.420 nan 0.000 0.267 123 P C 0.261 177.581 177.300 0.034 0.000 1.209 123 P CA 1.382 64.498 63.100 0.026 0.000 0.763 123 P CB 0.592 32.289 31.700 -0.005 0.000 0.816 124 G N 3.699 112.554 108.800 0.092 0.000 2.176 124 G HA2 -0.350 3.729 3.960 0.198 0.000 0.253 124 G HA3 -0.350 3.729 3.960 0.198 0.000 0.253 124 G C 0.829 175.712 174.900 -0.029 0.000 0.979 124 G CA 0.463 45.602 45.100 0.066 0.000 0.641 124 G HN 0.597 nan 8.290 nan 0.000 0.530 125 M N -1.626 117.851 119.600 -0.204 0.000 2.358 125 M HA 0.274 4.873 4.480 0.198 0.000 0.264 125 M C 1.775 177.807 176.300 -0.447 0.000 1.064 125 M CA 1.598 56.662 55.300 -0.392 0.000 1.093 125 M CB -0.504 31.744 32.600 -0.586 0.000 1.401 125 M HN 0.088 nan 8.290 nan 0.000 0.440 126 F N 1.411 121.250 119.950 -0.184 0.000 2.765 126 F HA 0.591 5.221 4.527 0.172 0.000 0.302 126 F C 1.786 177.729 175.800 0.237 0.000 1.111 126 F CA -0.216 57.698 58.000 -0.143 0.000 1.359 126 F CB -1.028 37.858 39.000 -0.190 0.000 1.097 126 F HN 0.427 nan 8.300 nan 0.000 0.577 127 A N 0.502 123.495 122.820 0.288 0.000 5.585 127 A HA -0.367 4.072 4.320 0.198 0.000 0.295 127 A C 1.863 179.555 177.584 0.180 0.000 1.985 127 A CA 1.903 54.078 52.037 0.230 0.000 0.716 127 A CB -1.985 17.177 19.000 0.269 0.000 1.237 127 A HN 0.533 nan 8.150 nan 0.000 0.371 128 S N -0.832 114.896 115.700 0.046 0.000 2.555 128 S HA -0.035 4.554 4.470 0.198 0.000 0.230 128 S C 1.351 175.915 174.600 -0.061 0.000 0.978 128 S CA 1.241 59.414 58.200 -0.045 0.000 0.934 128 S CB -0.567 62.549 63.200 -0.141 0.000 0.766 128 S HN 0.711 nan 8.310 nan 0.000 0.533 129 H N 2.548 121.704 119.070 0.142 0.000 2.389 129 H HA 0.133 4.818 4.556 0.214 0.000 0.299 129 H C -1.574 173.781 175.328 0.044 0.000 1.081 129 H CA 0.517 56.622 56.048 0.095 0.000 1.345 129 H CB -1.646 28.206 29.762 0.151 0.000 1.393 129 H HN 0.439 nan 8.280 nan 0.000 0.520 130 P HA 0.050 nan 4.420 nan 0.000 0.274 130 P C 0.742 178.050 177.300 0.014 0.000 1.231 130 P CA 0.240 63.390 63.100 0.083 0.000 0.790 130 P CB 1.164 32.955 31.700 0.151 0.000 0.951 131 T N 0.601 115.104 114.554 -0.085 0.000 2.614 131 T HA -0.077 4.391 4.350 0.198 0.000 0.263 131 T C 0.764 175.237 174.700 -0.378 0.000 1.055 131 T CA 1.431 63.371 62.100 -0.265 0.000 1.162 131 T CB -0.597 68.042 68.868 -0.382 0.000 0.863 131 T HN 0.544 nan 8.240 nan 0.000 0.414 132 H N 0.448 119.546 119.070 0.046 0.000 2.670 132 H HA 0.658 5.333 4.556 0.199 0.000 0.361 132 H C -0.722 174.665 175.328 0.099 0.000 1.169 132 H CA -0.850 55.233 56.048 0.057 0.000 1.198 132 H CB 1.397 31.171 29.762 0.019 0.000 1.700 132 H HN 0.170 nan 8.280 nan 0.000 0.542 133 S N 1.671 117.512 115.700 0.236 0.000 2.502 133 S HA 0.504 5.093 4.470 0.198 0.000 0.304 133 S C 0.109 174.773 174.600 0.106 0.000 1.097 133 S CA -0.841 57.471 58.200 0.187 0.000 1.045 133 S CB 1.180 64.514 63.200 0.223 0.000 1.019 133 S HN 0.393 nan 8.310 nan 0.000 0.481 134 I N 2.341 122.934 120.570 0.039 0.000 2.359 134 I HA 0.359 4.648 4.170 0.198 0.000 0.294 134 I C 0.289 176.391 176.117 -0.024 0.000 0.987 134 I CA -0.370 60.942 61.300 0.020 0.000 1.225 134 I CB 1.769 39.766 38.000 -0.005 0.000 1.366 134 I HN 0.675 nan 8.210 nan 0.000 0.466 135 S N 8.075 123.795 115.700 0.033 0.000 2.567 135 S HA 0.433 5.022 4.470 0.198 0.000 0.262 135 S C -0.288 174.369 174.600 0.095 0.000 1.237 135 S CA -0.728 57.482 58.200 0.016 0.000 1.093 135 S CB -0.207 63.006 63.200 0.021 0.000 1.095 135 S HN 0.444 nan 8.310 nan 0.000 0.489 136 L N 6.375 127.665 121.223 0.112 0.000 2.455 136 L HA 0.302 4.761 4.340 0.198 0.000 0.272 136 L C -1.386 175.582 176.870 0.163 0.000 1.174 136 L CA -1.361 53.627 54.840 0.247 0.000 0.869 136 L CB 0.226 42.438 42.059 0.256 0.000 1.130 136 L HN 0.482 nan 8.230 nan 0.000 0.474 137 P HA 0.053 nan 4.420 nan 0.000 0.277 137 P C -0.574 176.670 177.300 -0.092 0.000 1.276 137 P CA -0.751 62.355 63.100 0.009 0.000 0.788 137 P CB 0.556 32.221 31.700 -0.059 0.000 1.114 138 R N 0.910 121.299 120.500 -0.184 0.000 2.480 138 R HA 0.096 4.554 4.340 0.198 0.000 0.303 138 R C -1.799 174.186 176.300 -0.525 0.000 0.985 138 R CA -1.048 54.873 56.100 -0.298 0.000 1.051 138 R CB -0.748 29.423 30.300 -0.216 0.000 0.935 138 R HN 0.341 nan 8.270 nan 0.000 0.410 139 P HA -0.042 nan 4.420 nan 0.000 0.260 139 P C -0.808 176.110 177.300 -0.636 0.000 1.185 139 P CA 0.510 62.711 63.100 -1.498 0.000 0.763 139 P CB 1.028 31.905 31.700 -1.371 0.000 0.776 140 T N 1.583 115.858 114.554 -0.466 0.000 2.853 140 T HA 0.150 4.619 4.350 0.198 0.000 0.311 140 T C 0.624 175.087 174.700 -0.395 0.000 1.307 140 T CA -0.449 61.450 62.100 -0.336 0.000 1.019 140 T CB 1.244 69.944 68.868 -0.281 0.000 1.264 140 T HN 0.262 nan 8.240 nan 0.000 0.497 141 Q N 0.400 119.695 119.800 -0.841 0.000 2.369 141 Q HA -0.044 4.414 4.340 0.198 0.000 0.206 141 Q C 0.555 176.501 176.000 -0.089 0.000 0.963 141 Q CA 1.007 56.412 55.803 -0.663 0.000 0.894 141 Q CB 0.179 28.511 28.738 -0.678 0.000 0.965 141 Q HN 0.559 nan 8.270 nan 0.000 0.475 142 D N -0.113 120.228 120.400 -0.098 0.000 2.363 142 D HA 0.020 4.779 4.640 0.198 0.000 0.220 142 D C 0.035 176.385 176.300 0.083 0.000 0.994 142 D CA 0.654 54.651 54.000 -0.004 0.000 0.890 142 D CB 0.321 41.083 40.800 -0.064 0.000 0.906 142 D HN 0.232 nan 8.370 nan 0.000 0.530 143 I N 3.119 123.807 120.570 0.197 0.000 2.330 143 I HA 0.155 4.444 4.170 0.198 0.000 0.286 143 I C -2.209 174.280 176.117 0.619 0.000 1.025 143 I CA -2.169 59.303 61.300 0.286 0.000 1.197 143 I CB 1.648 39.770 38.000 0.203 0.000 1.358 143 I HN -0.358 nan 8.210 nan 0.000 0.467 144 P HA -0.074 nan 4.420 nan 0.000 0.261 144 P C 0.690 178.040 177.300 0.083 0.000 1.173 144 P CA 0.209 63.442 63.100 0.222 0.000 0.760 144 P CB 0.850 32.589 31.700 0.066 0.000 0.783 145 A N 5.546 128.011 122.820 -0.591 0.000 1.940 145 A HA -0.285 4.154 4.320 0.198 0.000 0.221 145 A C 2.187 179.345 177.584 -0.711 0.000 1.190 145 A CA 2.348 53.808 52.037 -0.961 0.000 0.647 145 A CB -1.066 17.001 19.000 -1.555 0.000 0.821 145 A HN 0.699 nan 8.150 nan 0.000 0.457 146 R N -1.988 118.080 120.500 -0.720 0.000 2.159 146 R HA -0.206 4.253 4.340 0.198 0.000 0.237 146 R C 1.965 177.965 176.300 -0.499 0.000 1.131 146 R CA 1.747 57.304 56.100 -0.905 0.000 0.982 146 R CB -0.619 29.253 30.300 -0.714 0.000 0.868 146 R HN 0.690 nan 8.270 nan 0.000 0.453 147 W N 1.236 122.333 121.300 -0.339 0.000 2.409 147 W HA -0.078 4.700 4.660 0.197 0.000 0.299 147 W C 1.829 178.212 176.519 -0.226 0.000 1.203 147 W CA 0.827 58.057 57.345 -0.191 0.000 1.298 147 W CB -0.222 29.209 29.460 -0.048 0.000 1.127 147 W HN 0.135 nan 8.180 nan 0.000 0.528 148 L N 0.464 121.561 121.223 -0.209 0.000 2.131 148 L HA -0.101 4.357 4.340 0.198 0.000 0.210 148 L C 2.252 178.753 176.870 -0.615 0.000 1.092 148 L CA 2.077 56.615 54.840 -0.502 0.000 0.759 148 L CB -1.093 40.703 42.059 -0.439 0.000 0.903 148 L HN 0.043 nan 8.230 nan 0.000 0.435 149 V N -1.997 117.545 119.914 -0.619 0.000 3.052 149 V HA -0.072 4.167 4.120 0.198 0.000 0.254 149 V C 2.233 178.083 176.094 -0.406 0.000 1.100 149 V CA 1.543 63.516 62.300 -0.545 0.000 1.112 149 V CB 0.221 31.560 31.823 -0.806 0.000 0.738 149 V HN 0.557 nan 8.190 nan 0.000 0.469 150 S N 0.262 115.683 115.700 -0.466 0.000 2.345 150 S HA -0.176 4.413 4.470 0.198 0.000 0.220 150 S C 1.909 176.335 174.600 -0.290 0.000 1.031 150 S CA 2.036 60.089 58.200 -0.245 0.000 0.996 150 S CB -0.542 62.546 63.200 -0.187 0.000 0.882 150 S HN 0.702 nan 8.310 nan 0.000 0.445 151 T N 2.384 116.601 114.554 -0.562 0.000 2.803 151 T HA 0.007 4.475 4.350 0.198 0.000 0.269 151 T C 1.650 176.172 174.700 -0.296 0.000 1.052 151 T CA 1.033 62.828 62.100 -0.509 0.000 1.136 151 T CB -0.370 67.926 68.868 -0.955 0.000 0.864 151 T HN 0.295 nan 8.240 nan 0.000 0.467 152 I N 0.667 121.057 120.570 -0.300 0.000 2.400 152 I HA -0.068 4.220 4.170 0.198 0.000 0.248 152 I C 2.242 178.248 176.117 -0.185 0.000 1.109 152 I CA 0.849 62.025 61.300 -0.207 0.000 1.425 152 I CB -0.192 37.704 38.000 -0.174 0.000 1.094 152 I HN 0.041 nan 8.210 nan 0.000 0.425 153 D N -0.008 120.340 120.400 -0.086 0.000 2.117 153 D HA -0.250 4.509 4.640 0.198 0.000 0.197 153 D C 1.960 178.249 176.300 -0.019 0.000 0.987 153 D CA 1.530 55.554 54.000 0.039 0.000 0.829 153 D CB -0.351 40.572 40.800 0.203 0.000 0.961 153 D HN 0.435 nan 8.370 nan 0.000 0.460 154 H N 0.843 119.841 119.070 -0.121 0.000 2.321 154 H HA -0.030 4.645 4.556 0.198 0.000 0.300 154 H C 1.886 177.098 175.328 -0.192 0.000 1.087 154 H CA 2.297 58.265 56.048 -0.134 0.000 1.319 154 H CB -0.248 29.422 29.762 -0.154 0.000 1.379 154 H HN 0.035 nan 8.280 nan 0.000 0.501 155 A N 0.189 122.841 122.820 -0.280 0.000 1.892 155 A HA -0.160 4.278 4.320 0.198 0.000 0.218 155 A C 2.332 179.772 177.584 -0.240 0.000 1.188 155 A CA 2.057 53.906 52.037 -0.314 0.000 0.631 155 A CB -0.838 18.079 19.000 -0.139 0.000 0.822 155 A HN 0.443 nan 8.150 nan 0.000 0.447 156 L N -1.076 119.961 121.223 -0.310 0.000 2.249 156 L HA 0.168 4.626 4.340 0.198 0.000 0.207 156 L C 2.662 179.418 176.870 -0.190 0.000 1.090 156 L CA 1.391 56.023 54.840 -0.346 0.000 0.802 156 L CB -0.727 40.862 42.059 -0.783 0.000 0.947 156 L HN 0.380 nan 8.230 nan 0.000 0.453 157 G N -1.323 107.395 108.800 -0.137 0.000 2.408 157 G HA2 -0.243 3.836 3.960 0.198 0.000 0.217 157 G HA3 -0.243 3.836 3.960 0.198 0.000 0.217 157 G C 1.490 176.389 174.900 -0.001 0.000 1.150 157 G CA 1.304 46.441 45.100 0.061 0.000 0.776 157 G HN 0.428 nan 8.290 nan 0.000 0.542 158 T N -1.685 112.803 114.554 -0.111 0.000 3.086 158 T HA 0.346 4.814 4.350 0.198 0.000 0.250 158 T C 0.852 175.613 174.700 0.103 0.000 1.074 158 T CA -0.479 61.580 62.100 -0.068 0.000 0.988 158 T CB 0.059 68.774 68.868 -0.254 0.000 0.988 158 T HN 0.084 nan 8.240 nan 0.000 0.530 159 L N 2.292 123.587 121.223 0.119 0.000 2.433 159 L HA 0.352 4.811 4.340 0.198 0.000 0.284 159 L C 1.192 178.117 176.870 0.092 0.000 1.120 159 L CA -0.043 54.893 54.840 0.160 0.000 0.879 159 L CB 0.156 42.265 42.059 0.084 0.000 1.232 159 L HN 0.281 nan 8.230 nan 0.000 0.454 160 H N 4.426 123.510 119.070 0.023 0.000 2.395 160 H HA 0.415 5.089 4.556 0.197 0.000 0.299 160 H C 0.395 175.717 175.328 -0.010 0.000 1.070 160 H CA 0.980 57.032 56.048 0.006 0.000 1.356 160 H CB 0.412 30.176 29.762 0.003 0.000 1.401 160 H HN 0.779 nan 8.280 nan 0.000 0.524 161 A N -1.932 120.924 122.820 0.060 0.000 2.522 161 A HA 0.536 4.974 4.320 0.198 0.000 0.291 161 A C 0.097 177.669 177.584 -0.021 0.000 1.039 161 A CA -0.233 51.807 52.037 0.006 0.000 0.643 161 A CB 0.158 19.188 19.000 0.051 0.000 1.310 161 A HN 0.944 nan 8.150 nan 0.000 0.436 162 G N -1.075 107.710 108.800 -0.026 0.000 2.681 162 G HA2 0.473 4.552 3.960 0.198 0.000 0.220 162 G HA3 0.473 4.552 3.960 0.198 0.000 0.220 162 G C 0.626 175.498 174.900 -0.048 0.000 1.353 162 G CA 0.197 45.275 45.100 -0.037 0.000 0.872 162 G HN 2.429 nan 8.290 nan 0.000 0.557 163 G N -1.681 107.089 108.800 -0.050 0.000 2.451 163 G HA2 0.702 4.781 3.960 0.198 0.000 0.303 163 G HA3 0.702 4.781 3.960 0.198 0.000 0.303 163 G C -0.567 174.327 174.900 -0.010 0.000 1.166 163 G CA 0.207 45.283 45.100 -0.040 0.000 0.884 163 G HN 1.430 nan 8.290 nan 0.000 0.514 164 V N 1.203 121.135 119.914 0.030 0.000 2.487 164 V HA 0.289 4.528 4.120 0.198 0.000 0.298 164 V C -0.417 175.781 176.094 0.173 0.000 1.028 164 V CA -0.768 61.589 62.300 0.094 0.000 0.860 164 V CB 1.472 33.344 31.823 0.081 0.000 0.991 164 V HN 0.865 nan 8.190 nan 0.000 0.427 165 H N 5.862 124.994 119.070 0.104 0.000 2.641 165 H HA 0.514 5.195 4.556 0.208 0.000 0.295 165 H C -0.858 174.544 175.328 0.123 0.000 1.070 165 H CA -0.730 55.410 56.048 0.153 0.000 1.257 165 H CB 0.795 30.710 29.762 0.255 0.000 1.393 165 H HN 0.560 nan 8.280 nan 0.000 0.464 166 I N 5.017 125.634 120.570 0.078 0.000 2.306 166 I HA 0.026 4.315 4.170 0.198 0.000 0.288 166 I C 0.001 176.064 176.117 -0.090 0.000 1.036 166 I CA -0.537 60.740 61.300 -0.038 0.000 1.221 166 I CB 0.778 38.793 38.000 0.025 0.000 1.385 166 I HN 0.557 nan 8.210 nan 0.000 0.472 167 N N 5.622 124.162 118.700 -0.266 0.000 2.458 167 N HA 0.236 5.095 4.740 0.198 0.000 0.270 167 N C -1.030 174.461 175.510 -0.033 0.000 1.102 167 N CA -0.225 52.736 53.050 -0.149 0.000 0.967 167 N CB 0.700 39.063 38.487 -0.207 0.000 1.078 167 N HN 0.524 nan 8.380 nan 0.000 0.471 168 C N 6.002 125.313 119.300 0.019 0.000 2.357 168 C HA 0.410 4.989 4.460 0.198 0.000 0.300 168 C C -2.254 172.599 174.990 -0.227 0.000 1.074 168 C CA -1.788 57.187 59.018 -0.071 0.000 1.566 168 C CB -0.104 27.691 27.740 0.091 0.000 1.791 168 C HN 0.621 nan 8.230 nan 0.000 0.415 169 P HA 0.154 nan 4.420 nan 0.000 0.262 169 P C -0.651 176.314 177.300 -0.559 0.000 1.182 169 P CA 0.797 63.747 63.100 -0.249 0.000 0.761 169 P CB 0.185 31.773 31.700 -0.187 0.000 0.795 170 F N 1.587 121.516 119.950 -0.036 0.000 2.569 170 F HA 0.604 5.248 4.527 0.195 0.000 0.312 170 F C 0.096 175.851 175.800 -0.074 0.000 1.109 170 F CA -0.901 57.055 58.000 -0.072 0.000 0.919 170 F CB 1.624 40.592 39.000 -0.054 0.000 1.211 170 F HN 0.143 nan 8.300 nan 0.000 0.446 171 A N 2.190 125.061 122.820 0.085 0.000 2.305 171 A HA 0.633 5.072 4.320 0.198 0.000 0.322 171 A C -0.410 177.188 177.584 0.024 0.000 1.187 171 A CA -0.704 51.348 52.037 0.025 0.000 0.825 171 A CB 0.397 19.382 19.000 -0.024 0.000 1.164 171 A HN 0.813 nan 8.150 nan 0.000 0.498 172 E N 2.555 122.763 120.200 0.012 0.000 2.481 172 E HA 0.171 4.640 4.350 0.198 0.000 0.263 172 E C -1.967 174.635 176.600 0.003 0.000 0.992 172 E CA -0.343 56.059 56.400 0.003 0.000 0.938 172 E CB 0.211 29.921 29.700 0.017 0.000 0.933 172 E HN 0.517 nan 8.360 nan 0.000 0.453 173 P HA 0.099 nan 4.420 nan 0.000 0.281 173 P C -0.303 176.960 177.300 -0.061 0.000 1.249 173 P CA -0.087 63.013 63.100 -0.000 0.000 0.810 173 P CB 0.913 32.628 31.700 0.025 0.000 1.008 174 L N -0.333 120.791 121.223 -0.165 0.000 2.878 174 L HA 0.291 4.750 4.340 0.198 0.000 0.253 174 L C -0.027 176.496 176.870 -0.578 0.000 1.135 174 L CA 0.029 54.625 54.840 -0.406 0.000 0.943 174 L CB 0.009 41.722 42.059 -0.576 0.000 1.307 174 L HN 0.286 nan 8.230 nan 0.000 0.545 175 Y N 0.048 120.338 120.300 -0.016 0.000 2.485 175 Y HA 0.807 5.475 4.550 0.197 0.000 0.345 175 Y C 0.567 176.466 175.900 -0.003 0.000 0.998 175 Y CA -1.034 57.058 58.100 -0.013 0.000 1.059 175 Y CB 2.066 40.518 38.460 -0.012 0.000 1.234 175 Y HN -0.095 nan 8.280 nan 0.000 0.461 176 G N 0.550 109.446 108.800 0.160 0.000 2.322 176 G HA2 0.260 4.338 3.960 0.198 0.000 0.295 176 G HA3 0.260 4.338 3.960 0.198 0.000 0.295 176 G C -1.932 173.011 174.900 0.071 0.000 1.369 176 G CA -1.155 44.001 45.100 0.093 0.000 0.821 176 G HN 0.524 nan 8.290 nan 0.000 0.536 177 E N -0.070 120.161 120.200 0.051 0.000 2.257 177 E HA 0.353 4.822 4.350 0.198 0.000 0.278 177 E C 0.616 177.241 176.600 0.042 0.000 1.049 177 E CA -0.509 55.916 56.400 0.042 0.000 0.876 177 E CB 0.605 30.324 29.700 0.031 0.000 1.035 177 E HN 0.444 nan 8.360 nan 0.000 0.419 178 M N 4.882 124.508 119.600 0.042 0.000 2.921 178 M HA -0.021 4.578 4.480 0.198 0.000 0.319 178 M C -0.246 176.079 176.300 0.042 0.000 1.710 178 M CA 0.524 55.850 55.300 0.044 0.000 1.471 178 M CB -0.395 32.229 32.600 0.041 0.000 1.832 178 M HN 0.540 nan 8.290 nan 0.000 0.467 179 D N 1.915 122.343 120.400 0.046 0.000 1.984 179 D HA -0.055 4.704 4.640 0.198 0.000 0.251 179 D C 0.060 176.392 176.300 0.052 0.000 1.191 179 D CA 1.526 55.552 54.000 0.045 0.000 0.951 179 D CB 0.538 41.367 40.800 0.047 0.000 1.290 179 D HN 0.756 nan 8.370 nan 0.000 0.517 180 D N -1.724 118.711 120.400 0.057 0.000 2.952 180 D HA 0.136 4.895 4.640 0.198 0.000 0.373 180 D C 0.231 176.585 176.300 0.091 0.000 1.360 180 D CA -0.217 53.824 54.000 0.069 0.000 0.788 180 D CB 0.010 40.840 40.800 0.049 0.000 1.192 180 D HN 0.124 nan 8.370 nan 0.000 0.462 181 T N -0.673 113.944 114.554 0.105 0.000 2.701 181 T HA 0.042 4.511 4.350 0.198 0.000 0.263 181 T C 1.705 176.502 174.700 0.161 0.000 1.040 181 T CA 1.630 63.792 62.100 0.103 0.000 1.147 181 T CB -0.185 68.737 68.868 0.090 0.000 0.865 181 T HN 0.467 nan 8.240 nan 0.000 0.426 182 G N 0.529 109.503 108.800 0.291 0.000 3.383 182 G HA2 0.308 4.387 3.960 0.198 0.000 0.251 182 G HA3 0.308 4.387 3.960 0.198 0.000 0.251 182 G C 1.197 176.396 174.900 0.500 0.000 1.203 182 G CA -0.198 45.191 45.100 0.481 0.000 0.852 182 G HN 0.405 nan 8.290 nan 0.000 0.531 183 L N 0.866 122.268 121.223 0.298 0.000 2.007 183 L HA -0.046 4.413 4.340 0.198 0.000 0.205 183 L C 2.945 179.946 176.870 0.218 0.000 1.073 183 L CA 2.410 57.377 54.840 0.212 0.000 0.744 183 L CB -0.344 41.780 42.059 0.108 0.000 0.898 183 L HN 0.220 nan 8.230 nan 0.000 0.435 184 S N -1.228 114.591 115.700 0.198 0.000 2.419 184 S HA -0.271 4.317 4.470 0.198 0.000 0.235 184 S C 1.649 176.387 174.600 0.230 0.000 1.019 184 S CA 1.179 59.481 58.200 0.171 0.000 0.982 184 S CB -1.329 61.953 63.200 0.137 0.000 0.789 184 S HN 0.734 nan 8.310 nan 0.000 0.490 185 W N 2.397 123.784 121.300 0.146 0.000 2.355 185 W HA -0.100 4.678 4.660 0.197 0.000 0.309 185 W C 2.391 179.042 176.519 0.219 0.000 1.206 185 W CA 1.620 59.082 57.345 0.195 0.000 1.284 185 W CB -0.473 29.169 29.460 0.303 0.000 1.145 185 W HN 0.271 nan 8.180 nan 0.000 0.502 186 Q N -0.334 119.665 119.800 0.332 0.000 2.170 186 Q HA -0.258 4.201 4.340 0.198 0.000 0.203 186 Q C 2.106 178.279 176.000 0.288 0.000 0.976 186 Q CA 1.636 57.598 55.803 0.265 0.000 0.858 186 Q CB -0.341 28.600 28.738 0.339 0.000 0.907 186 Q HN 0.512 nan 8.270 nan 0.000 0.433 187 Q N -0.402 119.497 119.800 0.166 0.000 2.435 187 Q HA -0.008 4.451 4.340 0.198 0.000 0.207 187 Q C 1.491 177.580 176.000 0.149 0.000 0.956 187 Q CA 0.048 55.947 55.803 0.160 0.000 0.917 187 Q CB 0.361 29.154 28.738 0.092 0.000 0.997 187 Q HN 0.099 nan 8.270 nan 0.000 0.497 188 R N 0.205 120.736 120.500 0.052 0.000 2.293 188 R HA -0.077 4.382 4.340 0.198 0.000 0.219 188 R C 1.617 177.904 176.300 -0.021 0.000 1.091 188 R CA 0.846 56.938 56.100 -0.015 0.000 1.004 188 R CB -0.312 29.911 30.300 -0.128 0.000 0.865 188 R HN 0.347 nan 8.270 nan 0.000 0.469 189 L N -1.361 119.859 121.223 -0.005 0.000 2.307 189 L HA 0.159 4.617 4.340 0.198 0.000 0.211 189 L C 1.466 178.561 176.870 0.375 0.000 1.099 189 L CA 0.579 55.419 54.840 -0.001 0.000 0.816 189 L CB -0.428 41.388 42.059 -0.405 0.000 0.952 189 L HN 0.310 nan 8.230 nan 0.000 0.455 190 G N 1.684 110.726 108.800 0.403 0.000 2.512 190 G HA2 -0.381 3.698 3.960 0.198 0.000 0.254 190 G HA3 -0.381 3.698 3.960 0.198 0.000 0.254 190 G C 0.300 175.467 174.900 0.445 0.000 1.199 190 G CA 0.280 45.598 45.100 0.362 0.000 0.941 190 G HN 0.426 nan 8.290 nan 0.000 0.569 191 D N -0.164 120.424 120.400 0.312 0.000 2.378 191 D HA -0.034 4.724 4.640 0.198 0.000 0.222 191 D C 1.717 178.186 176.300 0.281 0.000 0.980 191 D CA 1.570 55.727 54.000 0.261 0.000 0.907 191 D CB -0.488 40.401 40.800 0.149 0.000 0.899 191 D HN 0.652 nan 8.370 nan 0.000 0.527 192 W N 0.943 122.330 121.300 0.146 0.000 2.290 192 W HA -0.259 4.519 4.660 0.196 0.000 0.311 192 W C 1.355 177.880 176.519 0.010 0.000 1.238 192 W CA 1.917 59.304 57.345 0.070 0.000 1.255 192 W CB -0.684 28.867 29.460 0.152 0.000 1.145 192 W HN 0.012 nan 8.180 nan 0.000 0.506 193 W N -0.110 121.294 121.300 0.174 0.000 2.313 193 W HA -0.245 4.533 4.660 0.197 0.000 0.293 193 W C 2.089 178.487 176.519 -0.202 0.000 1.216 193 W CA 1.772 59.068 57.345 -0.082 0.000 1.223 193 W CB -0.871 28.644 29.460 0.091 0.000 1.138 193 W HN -0.022 nan 8.180 nan 0.000 0.535 194 Q N -0.730 119.114 119.800 0.073 0.000 2.247 194 Q HA 0.088 4.547 4.340 0.198 0.000 0.204 194 Q C -0.108 175.841 176.000 -0.086 0.000 0.872 194 Q CA 0.225 56.029 55.803 0.001 0.000 0.951 194 Q CB 0.198 28.963 28.738 0.045 0.000 1.099 194 Q HN 0.020 nan 8.270 nan 0.000 0.501 195 D N 0.113 120.402 120.400 -0.184 0.000 2.432 195 D HA 0.072 4.831 4.640 0.198 0.000 0.258 195 D C 0.049 176.179 176.300 -0.283 0.000 1.146 195 D CA -0.310 53.569 54.000 -0.201 0.000 1.015 195 D CB 0.955 41.647 40.800 -0.180 0.000 1.107 195 D HN 0.049 nan 8.370 nan 0.000 0.529 196 D N -0.386 119.884 120.400 -0.216 0.000 2.462 196 D HA 0.107 4.865 4.640 0.198 0.000 0.221 196 D C -0.358 175.819 176.300 -0.204 0.000 1.173 196 D CA -0.156 53.716 54.000 -0.214 0.000 0.831 196 D CB 0.097 40.806 40.800 -0.153 0.000 1.001 196 D HN 0.143 nan 8.370 nan 0.000 0.499 197 K N 0.621 120.901 120.400 -0.200 0.000 2.340 197 K HA 0.519 4.958 4.320 0.198 0.000 0.244 197 K C -2.890 173.698 176.600 -0.021 0.000 0.973 197 K CA -2.165 54.052 56.287 -0.116 0.000 0.828 197 K CB 1.855 34.314 32.500 -0.067 0.000 1.226 197 K HN -0.203 nan 8.250 nan 0.000 0.437 198 P HA -0.113 nan 4.420 nan 0.000 0.266 198 P C 0.174 177.653 177.300 0.298 0.000 1.195 198 P CA -0.094 63.094 63.100 0.146 0.000 0.768 198 P CB 0.443 32.143 31.700 0.000 0.000 0.838 199 W N 4.584 126.011 121.300 0.212 0.000 2.333 199 W HA -0.094 4.685 4.660 0.198 0.000 0.316 199 W C -0.241 176.261 176.519 -0.028 0.000 1.215 199 W CA 1.097 58.436 57.345 -0.010 0.000 1.278 199 W CB -0.210 29.035 29.460 -0.359 0.000 1.154 199 W HN 0.192 nan 8.180 nan 0.000 0.486 200 L N 1.810 123.131 121.223 0.164 0.000 2.313 200 L HA 0.389 4.848 4.340 0.198 0.000 0.283 200 L C -0.305 176.612 176.870 0.077 0.000 1.013 200 L CA -0.449 54.424 54.840 0.054 0.000 0.816 200 L CB 1.551 43.676 42.059 0.110 0.000 1.236 200 L HN -0.201 nan 8.230 nan 0.000 0.419 201 R N 3.897 124.411 120.500 0.024 0.000 2.204 201 R HA 0.350 4.809 4.340 0.198 0.000 0.341 201 R C -0.766 175.560 176.300 0.043 0.000 1.035 201 R CA -0.166 55.956 56.100 0.036 0.000 0.887 201 R CB 0.668 30.967 30.300 -0.001 0.000 1.114 201 R HN 0.552 nan 8.270 nan 0.000 0.473 202 E N 2.368 122.612 120.200 0.073 0.000 2.402 202 E HA 0.374 4.842 4.350 0.198 0.000 0.244 202 E C -1.357 175.281 176.600 0.064 0.000 0.945 202 E CA -0.390 56.051 56.400 0.069 0.000 0.774 202 E CB 1.292 31.052 29.700 0.100 0.000 1.296 202 E HN 0.685 nan 8.360 nan 0.000 0.414 203 A N 5.194 128.046 122.820 0.053 0.000 3.365 203 A HA 0.328 4.767 4.320 0.198 0.000 0.258 203 A C -2.346 175.268 177.584 0.049 0.000 0.964 203 A CA -0.890 51.178 52.037 0.053 0.000 0.988 203 A CB 0.101 19.134 19.000 0.056 0.000 1.193 203 A HN 0.461 nan 8.150 nan 0.000 0.508 204 P HA 0.159 nan 4.420 nan 0.000 0.268 204 P C -0.450 176.888 177.300 0.063 0.000 1.205 204 P CA -0.160 62.969 63.100 0.048 0.000 0.771 204 P CB 0.632 32.359 31.700 0.045 0.000 0.858 205 R N 2.269 122.804 120.500 0.058 0.000 2.340 205 R HA 0.277 4.736 4.340 0.198 0.000 0.300 205 R C -0.699 175.644 176.300 0.071 0.000 1.069 205 R CA -0.791 55.355 56.100 0.078 0.000 0.984 205 R CB 0.354 30.691 30.300 0.061 0.000 1.003 205 R HN 0.415 nan 8.270 nan 0.000 0.459 206 L N 3.917 125.199 121.223 0.098 0.000 2.265 206 L HA 0.395 4.854 4.340 0.198 0.000 0.289 206 L C -0.718 176.165 176.870 0.021 0.000 1.033 206 L CA 0.278 55.125 54.840 0.010 0.000 0.814 206 L CB 0.955 42.931 42.059 -0.137 0.000 1.203 206 L HN 0.690 nan 8.230 nan 0.000 0.423 207 E N 2.277 122.484 120.200 0.012 0.000 2.375 207 E HA 0.410 4.879 4.350 0.198 0.000 0.280 207 E C -1.327 175.288 176.600 0.024 0.000 0.972 207 E CA -0.604 55.815 56.400 0.031 0.000 0.782 207 E CB 1.822 31.560 29.700 0.064 0.000 1.229 207 E HN 0.575 nan 8.360 nan 0.000 0.439 208 S N 1.809 117.532 115.700 0.039 0.000 2.545 208 S HA 0.129 4.718 4.470 0.198 0.000 0.275 208 S C -0.095 174.554 174.600 0.082 0.000 1.299 208 S CA -0.375 57.851 58.200 0.043 0.000 1.048 208 S CB 1.135 64.359 63.200 0.041 0.000 0.938 208 S HN 0.453 nan 8.310 nan 0.000 0.496 209 E N 1.670 121.904 120.200 0.055 0.000 2.391 209 E HA 0.090 4.558 4.350 0.198 0.000 0.255 209 E C 0.186 176.838 176.600 0.088 0.000 1.187 209 E CA -0.465 55.966 56.400 0.052 0.000 0.941 209 E CB 0.492 30.208 29.700 0.027 0.000 1.010 209 E HN 0.418 nan 8.360 nan 0.000 0.458 210 K N 1.867 122.295 120.400 0.045 0.000 2.484 210 K HA -0.071 4.367 4.320 0.198 0.000 0.280 210 K C -0.628 176.061 176.600 0.148 0.000 1.013 210 K CA -0.109 56.200 56.287 0.036 0.000 1.029 210 K CB 0.489 32.924 32.500 -0.109 0.000 0.902 210 K HN 0.331 nan 8.250 nan 0.000 0.481 211 Q N 4.048 124.067 119.800 0.365 0.000 2.431 211 Q HA 0.027 4.485 4.340 0.198 0.000 0.234 211 Q C 0.364 176.558 176.000 0.322 0.000 1.203 211 Q CA 0.213 56.197 55.803 0.302 0.000 0.902 211 Q CB 0.789 29.709 28.738 0.303 0.000 1.455 211 Q HN 0.479 nan 8.270 nan 0.000 0.515 212 R N 1.359 121.969 120.500 0.184 0.000 2.303 212 R HA -0.142 4.316 4.340 0.198 0.000 0.225 212 R C 0.491 176.899 176.300 0.179 0.000 1.114 212 R CA 1.213 57.382 56.100 0.115 0.000 1.007 212 R CB 0.201 30.533 30.300 0.054 0.000 0.861 212 R HN 0.513 nan 8.270 nan 0.000 0.471 213 D N -1.840 118.775 120.400 0.359 0.000 2.559 213 D HA -0.090 4.669 4.640 0.198 0.000 0.234 213 D C 0.930 177.691 176.300 0.769 0.000 1.226 213 D CA -0.391 53.891 54.000 0.469 0.000 0.830 213 D CB -0.818 40.235 40.800 0.422 0.000 1.028 213 D HN 0.337 nan 8.370 nan 0.000 0.492 214 W N 0.213 121.819 121.300 0.510 0.000 2.418 214 W HA -0.137 4.642 4.660 0.199 0.000 0.292 214 W C 0.322 177.215 176.519 0.623 0.000 1.213 214 W CA 0.266 57.984 57.345 0.621 0.000 1.283 214 W CB -0.071 29.736 29.460 0.577 0.000 1.119 214 W HN -0.140 nan 8.180 nan 0.000 0.542 215 F N 0.185 120.186 119.950 0.084 0.000 2.216 215 F HA -0.134 4.511 4.527 0.198 0.000 0.300 215 F C 2.232 177.968 175.800 -0.107 0.000 1.085 215 F CA 0.863 58.778 58.000 -0.141 0.000 1.326 215 F CB -1.768 37.225 39.000 -0.012 0.000 1.027 215 F HN -0.101 nan 8.300 nan 0.000 0.497 216 F N -1.055 118.959 119.950 0.107 0.000 2.074 216 F HA -0.184 4.462 4.527 0.198 0.000 0.293 216 F C 2.151 177.827 175.800 -0.208 0.000 1.116 216 F CA 1.539 59.478 58.000 -0.102 0.000 1.212 216 F CB -0.669 38.239 39.000 -0.152 0.000 0.998 216 F HN -0.130 nan 8.300 nan 0.000 0.471 217 W N 1.602 123.154 121.300 0.421 0.000 2.374 217 W HA -0.120 4.659 4.660 0.199 0.000 0.288 217 W C 2.526 179.055 176.519 0.015 0.000 1.218 217 W CA 1.554 59.080 57.345 0.302 0.000 1.245 217 W CB -0.331 29.379 29.460 0.417 0.000 1.126 217 W HN 0.062 nan 8.180 nan 0.000 0.545 218 R N 0.380 120.698 120.500 -0.305 0.000 2.316 218 R HA -0.022 4.437 4.340 0.198 0.000 0.202 218 R C 1.380 177.507 176.300 -0.288 0.000 1.029 218 R CA 1.124 56.799 56.100 -0.708 0.000 1.018 218 R CB -0.556 28.673 30.300 -1.784 0.000 0.888 218 R HN 0.272 nan 8.270 nan 0.000 0.471 219 Q N 0.531 120.190 119.800 -0.235 0.000 2.402 219 Q HA 0.122 4.580 4.340 0.198 0.000 0.206 219 Q C -0.006 175.909 176.000 -0.142 0.000 0.919 219 Q CA 0.253 55.923 55.803 -0.221 0.000 0.923 219 Q CB 0.515 29.054 28.738 -0.331 0.000 1.048 219 Q HN 0.216 nan 8.270 nan 0.000 0.515 220 K N 1.035 121.369 120.400 -0.109 0.000 2.118 220 K HA 0.232 4.670 4.320 0.198 0.000 0.240 220 K C -0.062 176.384 176.600 -0.256 0.000 1.035 220 K CA -0.298 55.868 56.287 -0.202 0.000 0.899 220 K CB 0.437 32.819 32.500 -0.197 0.000 1.085 220 K HN -0.009 nan 8.250 nan 0.000 0.498 221 R N 0.789 120.937 120.500 -0.585 0.000 2.325 221 R HA 0.155 4.614 4.340 0.198 0.000 0.323 221 R C 0.515 176.036 176.300 -1.298 0.000 1.177 221 R CA -0.220 55.138 56.100 -1.238 0.000 1.018 221 R CB 0.108 29.407 30.300 -1.668 0.000 1.070 221 R HN 0.627 nan 8.270 nan 0.000 0.495 222 G N 1.090 108.748 108.800 -1.903 0.000 2.511 222 G HA2 0.503 4.582 3.960 0.198 0.000 0.316 222 G HA3 0.503 4.582 3.960 0.198 0.000 0.316 222 G C -0.753 173.605 174.900 -0.904 0.000 1.210 222 G CA -0.436 43.506 45.100 -1.931 0.000 0.969 222 G HN 0.270 nan 8.290 nan 0.000 0.492 223 V N -0.469 119.233 119.914 -0.353 0.000 2.680 223 V HA 0.504 4.743 4.120 0.198 0.000 0.309 223 V C -0.389 175.839 176.094 0.223 0.000 1.052 223 V CA -0.716 61.648 62.300 0.106 0.000 0.908 223 V CB 1.919 33.877 31.823 0.225 0.000 1.001 223 V HN 0.499 nan 8.190 nan 0.000 0.431 224 V N 4.353 124.476 119.914 0.349 0.000 2.384 224 V HA 0.483 4.722 4.120 0.198 0.000 0.287 224 V C -0.288 175.961 176.094 0.258 0.000 1.020 224 V CA -0.511 62.017 62.300 0.380 0.000 0.850 224 V CB 1.765 33.875 31.823 0.478 0.000 0.987 224 V HN 0.623 nan 8.190 nan 0.000 0.436 225 V N 4.050 124.092 119.914 0.213 0.000 2.417 225 V HA 0.778 5.017 4.120 0.198 0.000 0.291 225 V C 0.345 176.526 176.094 0.144 0.000 1.024 225 V CA -0.536 61.871 62.300 0.180 0.000 0.861 225 V CB 1.694 33.642 31.823 0.208 0.000 0.985 225 V HN 0.950 nan 8.190 nan 0.000 0.436 226 A N 3.741 126.632 122.820 0.117 0.000 2.267 226 A HA 0.841 5.280 4.320 0.198 0.000 0.315 226 A C 0.480 178.094 177.584 0.050 0.000 1.297 226 A CA 0.130 52.216 52.037 0.080 0.000 0.865 226 A CB 0.934 19.984 19.000 0.083 0.000 1.165 226 A HN 0.964 nan 8.150 nan 0.000 0.513 227 G N 0.885 109.706 108.800 0.034 0.000 2.882 227 G HA2 0.414 4.492 3.960 0.198 0.000 0.164 227 G HA3 0.414 4.492 3.960 0.198 0.000 0.164 227 G C 0.237 175.135 174.900 -0.004 0.000 1.429 227 G CA -0.694 44.416 45.100 0.016 0.000 1.059 227 G HN 0.830 nan 8.290 nan 0.000 0.581 228 R N 0.313 120.806 120.500 -0.012 0.000 2.389 228 R HA 0.458 4.917 4.340 0.198 0.000 0.295 228 R C -0.007 176.280 176.300 -0.021 0.000 1.075 228 R CA 0.310 56.397 56.100 -0.022 0.000 1.005 228 R CB 0.149 30.439 30.300 -0.016 0.000 0.987 228 R HN 0.661 nan 8.270 nan 0.000 0.452 229 M N 0.501 120.084 119.600 -0.029 0.000 3.604 229 M HA 0.323 4.921 4.480 0.198 0.000 0.301 229 M C -1.134 175.146 176.300 -0.034 0.000 1.414 229 M CA -1.001 54.283 55.300 -0.026 0.000 0.860 229 M CB 1.461 34.044 32.600 -0.028 0.000 1.797 229 M HN 0.499 nan 8.290 nan 0.000 0.489 230 S N 0.536 116.221 115.700 -0.024 0.000 2.632 230 S HA 0.711 5.300 4.470 0.198 0.000 0.271 230 S C 0.958 175.531 174.600 -0.045 0.000 1.260 230 S CA -0.194 57.990 58.200 -0.027 0.000 1.010 230 S CB 1.451 64.652 63.200 0.001 0.000 0.965 230 S HN 0.989 nan 8.310 nan 0.000 0.534 231 A N 1.614 124.393 122.820 -0.068 0.000 1.873 231 A HA -0.151 4.288 4.320 0.198 0.000 0.218 231 A C 2.176 179.742 177.584 -0.029 0.000 1.193 231 A CA 1.738 53.736 52.037 -0.065 0.000 0.629 231 A CB -1.169 17.776 19.000 -0.092 0.000 0.826 231 A HN 0.885 nan 8.150 nan 0.000 0.447 232 E N -0.097 120.092 120.200 -0.019 0.000 2.086 232 E HA -0.241 4.228 4.350 0.198 0.000 0.200 232 E C 1.916 178.515 176.600 -0.001 0.000 1.012 232 E CA 1.787 58.184 56.400 -0.006 0.000 0.812 232 E CB -0.469 29.230 29.700 -0.001 0.000 0.743 232 E HN 0.804 nan 8.360 nan 0.000 0.453 233 E N -0.296 119.900 120.200 -0.007 0.000 2.110 233 E HA -0.134 4.334 4.350 0.198 0.000 0.193 233 E C 2.107 178.708 176.600 0.000 0.000 0.988 233 E CA 0.948 57.343 56.400 -0.009 0.000 0.804 233 E CB -0.364 29.326 29.700 -0.018 0.000 0.745 233 E HN 0.343 nan 8.360 nan 0.000 0.458 234 G N 1.765 110.565 108.800 -0.000 0.000 2.553 234 G HA2 -0.362 3.716 3.960 0.198 0.000 0.218 234 G HA3 -0.362 3.716 3.960 0.198 0.000 0.218 234 G C 1.379 176.300 174.900 0.036 0.000 1.195 234 G CA 1.253 46.362 45.100 0.015 0.000 0.779 234 G HN 0.151 nan 8.290 nan 0.000 0.577 235 K N 0.267 120.685 120.400 0.029 0.000 2.020 235 K HA -0.147 4.291 4.320 0.198 0.000 0.212 235 K C 2.635 179.270 176.600 0.059 0.000 1.050 235 K CA 1.718 58.028 56.287 0.040 0.000 0.929 235 K CB -0.197 32.320 32.500 0.028 0.000 0.714 235 K HN 0.193 nan 8.250 nan 0.000 0.443 236 K N 0.439 120.869 120.400 0.050 0.000 2.032 236 K HA -0.140 4.299 4.320 0.198 0.000 0.209 236 K C 2.010 178.675 176.600 0.109 0.000 1.048 236 K CA 1.467 57.792 56.287 0.064 0.000 0.927 236 K CB -0.162 32.352 32.500 0.023 0.000 0.712 236 K HN -0.058 nan 8.250 nan 0.000 0.441 237 V N 0.991 120.956 119.914 0.085 0.000 2.392 237 V HA -0.270 3.969 4.120 0.198 0.000 0.249 237 V C 2.218 178.457 176.094 0.242 0.000 1.059 237 V CA 2.021 64.416 62.300 0.159 0.000 1.051 237 V CB -0.753 31.130 31.823 0.101 0.000 0.658 237 V HN 0.395 nan 8.190 nan 0.000 0.455 238 A N -0.500 122.415 122.820 0.159 0.000 1.969 238 A HA -0.072 4.367 4.320 0.198 0.000 0.218 238 A C 2.221 179.892 177.584 0.146 0.000 1.169 238 A CA 1.454 53.575 52.037 0.140 0.000 0.635 238 A CB -0.382 18.671 19.000 0.088 0.000 0.810 238 A HN 0.504 nan 8.150 nan 0.000 0.445 239 L N -2.862 118.457 121.223 0.160 0.000 2.072 239 L HA -0.124 4.335 4.340 0.198 0.000 0.205 239 L C 2.467 179.453 176.870 0.192 0.000 1.079 239 L CA 1.279 56.205 54.840 0.143 0.000 0.752 239 L CB -0.371 41.766 42.059 0.130 0.000 0.906 239 L HN 0.752 nan 8.230 nan 0.000 0.436 240 W N 0.538 121.864 121.300 0.043 0.000 2.418 240 W HA -0.131 4.648 4.660 0.199 0.000 0.292 240 W C 2.392 178.922 176.519 0.017 0.000 1.213 240 W CA 1.486 58.859 57.345 0.046 0.000 1.283 240 W CB 0.005 29.521 29.460 0.093 0.000 1.119 240 W HN 0.074 nan 8.180 nan 0.000 0.542 241 A N -0.246 122.712 122.820 0.230 0.000 1.929 241 A HA -0.216 4.223 4.320 0.198 0.000 0.216 241 A C 2.000 179.576 177.584 -0.014 0.000 1.176 241 A CA 1.694 53.772 52.037 0.068 0.000 0.628 241 A CB -0.973 18.180 19.000 0.254 0.000 0.816 241 A HN 0.522 nan 8.150 nan 0.000 0.444 242 Q N -0.625 119.189 119.800 0.024 0.000 2.119 242 Q HA -0.139 4.320 4.340 0.198 0.000 0.201 242 Q C 1.965 177.925 176.000 -0.066 0.000 0.972 242 Q CA 1.863 57.662 55.803 -0.008 0.000 0.847 242 Q CB -0.302 28.443 28.738 0.011 0.000 0.903 242 Q HN 0.560 nan 8.270 nan 0.000 0.433 243 T N 1.659 116.160 114.554 -0.090 0.000 2.624 243 T HA -0.184 4.285 4.350 0.198 0.000 0.268 243 T C 1.618 176.159 174.700 -0.265 0.000 1.041 243 T CA 1.550 63.557 62.100 -0.154 0.000 1.159 243 T CB -0.260 68.523 68.868 -0.142 0.000 0.863 243 T HN 0.283 nan 8.240 nan 0.000 0.434 244 L N 0.737 121.683 121.223 -0.461 0.000 2.622 244 L HA 0.171 4.629 4.340 0.198 0.000 0.233 244 L C 1.775 178.431 176.870 -0.356 0.000 1.156 244 L CA 0.253 54.691 54.840 -0.670 0.000 0.866 244 L CB -0.801 40.401 42.059 -1.428 0.000 0.980 244 L HN 0.477 nan 8.230 nan 0.000 0.448 245 G N -0.847 107.874 108.800 -0.132 0.000 2.379 245 G HA2 -0.267 3.812 3.960 0.198 0.000 0.297 245 G HA3 -0.267 3.812 3.960 0.198 0.000 0.297 245 G C -0.138 174.944 174.900 0.304 0.000 1.004 245 G CA -0.087 45.048 45.100 0.058 0.000 0.921 245 G HN 0.213 nan 8.290 nan 0.000 0.511 246 W N -0.286 121.046 121.300 0.053 0.000 2.332 246 W HA 0.578 5.356 4.660 0.197 0.000 0.351 246 W C -1.695 174.827 176.519 0.005 0.000 1.195 246 W CA -2.780 54.655 57.345 0.151 0.000 1.334 246 W CB 0.194 29.766 29.460 0.188 0.000 1.206 246 W HN 0.068 nan 8.180 nan 0.000 0.637 247 P HA 0.200 nan 4.420 nan 0.000 0.292 247 P C -1.009 176.373 177.300 0.135 0.000 1.287 247 P CA -0.418 62.692 63.100 0.017 0.000 0.800 247 P CB 1.606 33.199 31.700 -0.177 0.000 0.945 248 L N 4.994 126.292 121.223 0.125 0.000 2.264 248 L HA 0.380 4.839 4.340 0.198 0.000 0.289 248 L C -0.279 176.685 176.870 0.156 0.000 1.044 248 L CA -0.485 54.452 54.840 0.161 0.000 0.807 248 L CB 0.054 42.201 42.059 0.146 0.000 1.192 248 L HN 0.271 nan 8.230 nan 0.000 0.425 249 I N 5.824 126.485 120.570 0.151 0.000 2.361 249 I HA 0.317 4.606 4.170 0.198 0.000 0.282 249 I C 0.697 176.870 176.117 0.093 0.000 1.075 249 I CA -0.397 60.974 61.300 0.118 0.000 1.205 249 I CB 0.826 38.858 38.000 0.053 0.000 1.406 249 I HN 0.738 nan 8.210 nan 0.000 0.481 250 G N 4.550 113.401 108.800 0.085 0.000 2.356 250 G HA2 0.166 4.245 3.960 0.198 0.000 0.298 250 G HA3 0.166 4.245 3.960 0.198 0.000 0.298 250 G C -0.590 174.326 174.900 0.027 0.000 1.145 250 G CA -0.341 44.795 45.100 0.061 0.000 0.850 250 G HN 0.525 nan 8.290 nan 0.000 0.487 251 D N 0.675 121.086 120.400 0.018 0.000 2.329 251 D HA 0.065 4.824 4.640 0.198 0.000 0.246 251 D C 1.985 178.277 176.300 -0.013 0.000 1.111 251 D CA -0.394 53.604 54.000 -0.004 0.000 0.941 251 D CB 2.034 42.833 40.800 -0.002 0.000 1.169 251 D HN 0.153 nan 8.370 nan 0.000 0.441 252 V N 1.180 121.078 119.914 -0.027 0.000 2.469 252 V HA -0.205 4.033 4.120 0.198 0.000 0.251 252 V C 1.950 178.019 176.094 -0.043 0.000 1.064 252 V CA 1.068 63.347 62.300 -0.034 0.000 1.066 252 V CB -0.551 31.246 31.823 -0.043 0.000 0.667 252 V HN 0.408 nan 8.190 nan 0.000 0.461 253 L N 1.824 123.019 121.223 -0.047 0.000 2.622 253 L HA 0.099 4.557 4.340 0.198 0.000 0.233 253 L C 2.574 179.413 176.870 -0.051 0.000 1.156 253 L CA 1.641 56.445 54.840 -0.060 0.000 0.866 253 L CB -1.041 40.985 42.059 -0.056 0.000 0.980 253 L HN 0.708 nan 8.230 nan 0.000 0.448 254 S N -0.895 114.787 115.700 -0.029 0.000 2.458 254 S HA -0.096 4.492 4.470 0.198 0.000 0.223 254 S C 1.055 175.647 174.600 -0.014 0.000 1.019 254 S CA 0.215 58.407 58.200 -0.013 0.000 0.937 254 S CB -0.107 63.100 63.200 0.012 0.000 0.788 254 S HN 0.477 nan 8.310 nan 0.000 0.511 255 Q N 0.770 120.560 119.800 -0.018 0.000 2.461 255 Q HA -0.151 4.307 4.340 0.198 0.000 0.273 255 Q C 0.824 176.831 176.000 0.011 0.000 1.163 255 Q CA 1.080 56.878 55.803 -0.009 0.000 0.929 255 Q CB -2.666 26.051 28.738 -0.035 0.000 1.334 255 Q HN 0.887 nan 8.270 nan 0.000 0.499 256 T N -5.099 109.468 114.554 0.022 0.000 3.088 256 T HA 0.324 4.793 4.350 0.198 0.000 0.259 256 T C 1.575 176.296 174.700 0.034 0.000 1.122 256 T CA 0.559 62.682 62.100 0.039 0.000 1.095 256 T CB 0.574 69.476 68.868 0.057 0.000 0.930 256 T HN 0.995 nan 8.240 nan 0.000 0.508 257 G N 1.384 110.197 108.800 0.022 0.000 2.175 257 G HA2 -0.295 3.784 3.960 0.198 0.000 0.244 257 G HA3 -0.295 3.784 3.960 0.198 0.000 0.244 257 G C 0.061 174.969 174.900 0.014 0.000 0.982 257 G CA -0.148 44.959 45.100 0.011 0.000 0.641 257 G HN 0.640 nan 8.290 nan 0.000 0.527 258 Q N -0.985 118.832 119.800 0.029 0.000 2.407 258 Q HA -0.189 4.270 4.340 0.198 0.000 0.367 258 Q C -1.074 174.952 176.000 0.043 0.000 1.337 258 Q CA 0.652 56.482 55.803 0.045 0.000 1.105 258 Q CB -0.379 28.383 28.738 0.039 0.000 1.242 258 Q HN 0.554 nan 8.270 nan 0.000 0.311 259 P HA -0.119 nan 4.420 nan 0.000 0.239 259 P C 0.007 177.313 177.300 0.011 0.000 1.184 259 P CA 1.093 64.204 63.100 0.018 0.000 0.760 259 P CB 0.343 32.052 31.700 0.015 0.000 0.884 260 L N 0.753 122.018 121.223 0.071 0.000 2.502 260 L HA 0.382 4.841 4.340 0.198 0.000 0.249 260 L C -2.501 174.554 176.870 0.308 0.000 1.446 260 L CA -2.077 52.831 54.840 0.113 0.000 0.887 260 L CB 1.587 43.716 42.059 0.117 0.000 1.126 260 L HN -0.186 nan 8.230 nan 0.000 0.509 261 P HA 0.154 nan 4.420 nan 0.000 0.274 261 P C 0.381 177.845 177.300 0.273 0.000 1.256 261 P CA -0.131 63.078 63.100 0.182 0.000 0.795 261 P CB 0.942 32.697 31.700 0.091 0.000 1.038 262 C N -1.231 118.149 119.300 0.134 0.000 4.497 262 C HA -0.090 4.489 4.460 0.198 0.000 0.292 262 C C 2.016 176.926 174.990 -0.133 0.000 1.366 262 C CA 0.224 59.285 59.018 0.073 0.000 1.987 262 C CB -3.244 24.579 27.740 0.138 0.000 1.241 262 C HN 0.747 nan 8.230 nan 0.000 0.788 263 A N 0.023 122.628 122.820 -0.359 0.000 2.076 263 A HA -0.185 4.253 4.320 0.198 0.000 0.220 263 A C 1.780 178.831 177.584 -0.887 0.000 1.160 263 A CA 2.444 53.763 52.037 -1.198 0.000 0.653 263 A CB -0.340 18.197 19.000 -0.772 0.000 0.801 263 A HN 0.744 nan 8.150 nan 0.000 0.455 264 D N -0.631 119.516 120.400 -0.421 0.000 2.277 264 D HA -0.004 4.755 4.640 0.198 0.000 0.208 264 D C 1.679 177.853 176.300 -0.211 0.000 0.962 264 D CA 0.835 54.674 54.000 -0.269 0.000 0.865 264 D CB -0.064 40.644 40.800 -0.153 0.000 0.939 264 D HN 0.486 nan 8.370 nan 0.000 0.510 265 L N -0.371 120.741 121.223 -0.185 0.000 2.168 265 L HA 0.135 4.594 4.340 0.198 0.000 0.203 265 L C 2.246 179.094 176.870 -0.037 0.000 1.078 265 L CA 0.249 55.039 54.840 -0.084 0.000 0.780 265 L CB -0.743 41.304 42.059 -0.020 0.000 0.939 265 L HN 0.253 nan 8.230 nan 0.000 0.451 266 W N -0.219 121.044 121.300 -0.062 0.000 2.905 266 W HA 0.110 4.890 4.660 0.199 0.000 0.251 266 W C 1.407 177.877 176.519 -0.082 0.000 1.305 266 W CA -0.030 57.271 57.345 -0.074 0.000 1.465 266 W CB -0.473 28.936 29.460 -0.084 0.000 1.122 266 W HN 0.125 nan 8.180 nan 0.000 0.659 267 L N 1.693 122.708 121.223 -0.346 0.000 2.376 267 L HA 0.085 4.544 4.340 0.198 0.000 0.219 267 L C 2.653 179.488 176.870 -0.058 0.000 1.133 267 L CA 1.304 55.980 54.840 -0.275 0.000 0.816 267 L CB -0.779 41.007 42.059 -0.455 0.000 0.933 267 L HN 0.093 nan 8.230 nan 0.000 0.449 268 G N -1.003 107.774 108.800 -0.038 0.000 2.712 268 G HA2 -0.156 3.923 3.960 0.198 0.000 0.212 268 G HA3 -0.156 3.923 3.960 0.198 0.000 0.212 268 G C 0.685 175.604 174.900 0.032 0.000 1.142 268 G CA -0.216 44.883 45.100 -0.001 0.000 0.789 268 G HN 0.235 nan 8.290 nan 0.000 0.535 269 N N 0.889 119.626 118.700 0.061 0.000 2.488 269 N HA 0.288 5.146 4.740 0.198 0.000 0.274 269 N C 1.496 177.055 175.510 0.082 0.000 1.111 269 N CA 0.261 53.354 53.050 0.071 0.000 0.974 269 N CB 1.613 40.150 38.487 0.083 0.000 1.089 269 N HN -0.036 nan 8.380 nan 0.000 0.465 270 A N 4.622 127.488 122.820 0.077 0.000 2.076 270 A HA -0.159 4.279 4.320 0.198 0.000 0.220 270 A C 2.040 179.669 177.584 0.075 0.000 1.160 270 A CA 1.341 53.426 52.037 0.079 0.000 0.653 270 A CB -0.165 18.879 19.000 0.073 0.000 0.801 270 A HN 0.827 nan 8.150 nan 0.000 0.455 271 K N -0.636 119.802 120.400 0.062 0.000 2.062 271 K HA 0.028 4.466 4.320 0.198 0.000 0.205 271 K C 2.347 178.971 176.600 0.039 0.000 1.051 271 K CA 0.936 57.248 56.287 0.042 0.000 0.941 271 K CB -0.240 32.271 32.500 0.019 0.000 0.719 271 K HN 0.445 nan 8.250 nan 0.000 0.440 272 A N 1.089 123.947 122.820 0.062 0.000 1.873 272 A HA -0.165 4.274 4.320 0.198 0.000 0.215 272 A C 2.237 179.859 177.584 0.063 0.000 1.186 272 A CA 2.260 54.340 52.037 0.072 0.000 0.616 272 A CB -1.159 17.990 19.000 0.247 0.000 0.823 272 A HN 0.486 nan 8.150 nan 0.000 0.442 273 T N -3.144 111.465 114.554 0.093 0.000 2.881 273 T HA -0.079 4.390 4.350 0.198 0.000 0.270 273 T C 1.968 176.781 174.700 0.188 0.000 1.068 273 T CA 1.826 64.020 62.100 0.156 0.000 1.131 273 T CB -0.401 68.594 68.868 0.210 0.000 0.871 273 T HN 0.232 nan 8.240 nan 0.000 0.479 274 S N 1.171 116.950 115.700 0.131 0.000 2.345 274 S HA -0.028 4.561 4.470 0.198 0.000 0.219 274 S C 1.991 176.670 174.600 0.132 0.000 1.031 274 S CA 1.214 59.487 58.200 0.122 0.000 0.984 274 S CB -0.398 62.853 63.200 0.086 0.000 0.874 274 S HN 0.761 nan 8.310 nan 0.000 0.451 275 E N 1.061 121.321 120.200 0.101 0.000 2.065 275 E HA -0.196 4.273 4.350 0.198 0.000 0.201 275 E C 1.950 178.696 176.600 0.243 0.000 1.016 275 E CA 1.352 57.824 56.400 0.119 0.000 0.818 275 E CB -0.282 29.410 29.700 -0.012 0.000 0.749 275 E HN 0.394 nan 8.360 nan 0.000 0.453 276 L N 0.424 121.768 121.223 0.202 0.000 2.127 276 L HA -0.230 4.229 4.340 0.198 0.000 0.211 276 L C 2.737 179.852 176.870 0.408 0.000 1.089 276 L CA 1.228 56.267 54.840 0.332 0.000 0.757 276 L CB -0.425 41.733 42.059 0.166 0.000 0.899 276 L HN 0.312 nan 8.230 nan 0.000 0.434 277 Q N -0.309 119.685 119.800 0.322 0.000 2.325 277 Q HA -0.298 4.161 4.340 0.198 0.000 0.211 277 Q C 2.098 178.196 176.000 0.163 0.000 0.988 277 Q CA 1.425 57.371 55.803 0.238 0.000 0.887 277 Q CB -0.044 28.802 28.738 0.179 0.000 0.915 277 Q HN 0.568 nan 8.270 nan 0.000 0.440 278 Q N -0.609 119.300 119.800 0.180 0.000 2.369 278 Q HA 0.049 4.508 4.340 0.198 0.000 0.206 278 Q C 0.091 175.980 176.000 -0.185 0.000 0.963 278 Q CA 0.282 56.110 55.803 0.041 0.000 0.894 278 Q CB 0.193 29.016 28.738 0.142 0.000 0.965 278 Q HN 0.260 nan 8.270 nan 0.000 0.475 279 A N 0.752 123.496 122.820 -0.126 0.000 2.524 279 A HA -0.040 4.399 4.320 0.198 0.000 0.250 279 A C 0.441 177.915 177.584 -0.182 0.000 1.078 279 A CA 0.043 51.914 52.037 -0.276 0.000 0.761 279 A CB 0.378 19.372 19.000 -0.009 0.000 1.012 279 A HN 0.330 nan 8.150 nan 0.000 0.500 280 Q N 1.486 121.142 119.800 -0.240 0.000 2.376 280 Q HA 0.377 4.836 4.340 0.198 0.000 0.206 280 Q C 0.188 176.215 176.000 0.044 0.000 0.921 280 Q CA 0.632 56.416 55.803 -0.031 0.000 0.911 280 Q CB 0.585 29.332 28.738 0.015 0.000 1.032 280 Q HN 0.792 nan 8.270 nan 0.000 0.510 281 I N 0.111 120.591 120.570 -0.150 0.000 2.656 281 I HA 0.334 4.623 4.170 0.198 0.000 0.292 281 I C -1.703 174.173 176.117 -0.401 0.000 1.144 281 I CA -1.167 59.970 61.300 -0.272 0.000 1.038 281 I CB 2.137 39.980 38.000 -0.261 0.000 1.244 281 I HN -0.303 nan 8.210 nan 0.000 0.420 282 V N 7.496 127.144 119.914 -0.443 0.000 2.409 282 V HA 0.414 4.652 4.120 0.198 0.000 0.291 282 V C -0.487 175.336 176.094 -0.450 0.000 1.020 282 V CA -0.562 61.450 62.300 -0.480 0.000 0.848 282 V CB 1.747 33.083 31.823 -0.811 0.000 0.990 282 V HN 0.442 nan 8.190 nan 0.000 0.430 283 V N 5.507 125.352 119.914 -0.114 0.000 2.313 283 V HA 0.410 4.649 4.120 0.198 0.000 0.278 283 V C -0.040 176.116 176.094 0.104 0.000 1.017 283 V CA -0.440 61.907 62.300 0.078 0.000 0.823 283 V CB 1.338 33.389 31.823 0.380 0.000 1.010 283 V HN 0.924 nan 8.190 nan 0.000 0.443 284 Q N 4.997 124.820 119.800 0.039 0.000 2.307 284 Q HA 0.644 5.102 4.340 0.198 0.000 0.262 284 Q C -1.608 174.401 176.000 0.015 0.000 0.961 284 Q CA -0.671 55.184 55.803 0.085 0.000 0.882 284 Q CB 1.604 30.463 28.738 0.203 0.000 1.264 284 Q HN 0.715 nan 8.270 nan 0.000 0.446 285 L N 4.118 125.343 121.223 0.002 0.000 2.287 285 L HA 0.701 5.160 4.340 0.198 0.000 0.287 285 L C 0.355 177.199 176.870 -0.042 0.000 1.022 285 L CA -0.054 54.735 54.840 -0.086 0.000 0.814 285 L CB 1.670 43.666 42.059 -0.106 0.000 1.217 285 L HN 0.968 nan 8.230 nan 0.000 0.420 286 G N 2.476 111.240 108.800 -0.061 0.000 2.756 286 G HA2 -0.027 4.052 3.960 0.198 0.000 0.678 286 G HA3 -0.027 4.052 3.960 0.198 0.000 0.678 286 G C -0.462 174.433 174.900 -0.007 0.000 1.349 286 G CA -0.305 44.776 45.100 -0.032 0.000 0.847 286 G HN 0.796 nan 8.290 nan 0.000 0.548 287 S N -1.635 114.061 115.700 -0.007 0.000 3.081 287 S HA 0.824 5.413 4.470 0.198 0.000 0.316 287 S C 0.682 175.280 174.600 -0.003 0.000 1.089 287 S CA 0.414 58.613 58.200 -0.001 0.000 0.897 287 S CB 1.102 64.296 63.200 -0.011 0.000 1.358 287 S HN 2.399 nan 8.310 nan 0.000 0.678 288 S N 1.094 116.789 115.700 -0.008 0.000 3.447 288 S HA -0.100 4.488 4.470 0.198 0.000 0.371 288 S C 0.003 174.597 174.600 -0.010 0.000 0.951 288 S CA -0.094 58.099 58.200 -0.012 0.000 1.269 288 S CB -1.775 61.416 63.200 -0.015 0.000 0.919 288 S HN 0.556 nan 8.310 nan 0.000 0.516 289 L N 1.151 122.375 121.223 0.001 0.000 2.554 289 L HA 0.027 4.485 4.340 0.198 0.000 0.293 289 L C 1.848 178.712 176.870 -0.010 0.000 1.252 289 L CA 1.202 56.047 54.840 0.007 0.000 0.862 289 L CB -0.383 41.694 42.059 0.030 0.000 1.113 289 L HN 0.523 nan 8.230 nan 0.000 0.510 290 T N 1.587 116.131 114.554 -0.018 0.000 2.914 290 T HA 0.132 4.600 4.350 0.198 0.000 0.240 290 T C 0.780 175.459 174.700 -0.034 0.000 1.025 290 T CA 0.623 62.704 62.100 -0.032 0.000 1.198 290 T CB -0.158 68.685 68.868 -0.041 0.000 0.892 290 T HN 0.750 nan 8.240 nan 0.000 0.417 291 G N 0.465 109.241 108.800 -0.040 0.000 2.507 291 G HA2 0.323 4.402 3.960 0.198 0.000 0.271 291 G HA3 0.323 4.402 3.960 0.198 0.000 0.271 291 G C 0.620 175.499 174.900 -0.035 0.000 1.189 291 G CA -0.440 44.632 45.100 -0.047 0.000 0.859 291 G HN 0.274 nan 8.290 nan 0.000 0.542 292 K N -0.015 120.365 120.400 -0.034 0.000 2.063 292 K HA -0.126 4.313 4.320 0.198 0.000 0.208 292 K C 2.542 179.137 176.600 -0.010 0.000 1.048 292 K CA 1.136 57.412 56.287 -0.019 0.000 0.928 292 K CB -0.004 32.485 32.500 -0.019 0.000 0.713 292 K HN 0.312 nan 8.250 nan 0.000 0.442 293 R N 0.301 120.782 120.500 -0.032 0.000 2.148 293 R HA -0.049 4.410 4.340 0.198 0.000 0.223 293 R C 1.956 178.268 176.300 0.020 0.000 1.088 293 R CA 0.593 56.679 56.100 -0.024 0.000 0.985 293 R CB -0.367 29.879 30.300 -0.090 0.000 0.880 293 R HN 0.209 nan 8.270 nan 0.000 0.451 294 L N -0.232 120.990 121.223 -0.001 0.000 2.179 294 L HA 0.074 4.532 4.340 0.198 0.000 0.208 294 L C 1.492 178.447 176.870 0.142 0.000 1.096 294 L CA 1.506 56.394 54.840 0.080 0.000 0.779 294 L CB -0.336 41.730 42.059 0.013 0.000 0.922 294 L HN 0.138 nan 8.230 nan 0.000 0.443 295 L N -0.826 120.437 121.223 0.066 0.000 2.017 295 L HA -0.215 4.243 4.340 0.198 0.000 0.208 295 L C 2.635 179.533 176.870 0.046 0.000 1.073 295 L CA 1.443 56.308 54.840 0.043 0.000 0.745 295 L CB -0.537 41.527 42.059 0.009 0.000 0.894 295 L HN 0.339 nan 8.230 nan 0.000 0.432 296 Q N -1.234 118.603 119.800 0.060 0.000 2.124 296 Q HA -0.263 4.196 4.340 0.198 0.000 0.202 296 Q C 1.997 178.058 176.000 0.103 0.000 0.977 296 Q CA 2.023 57.863 55.803 0.062 0.000 0.850 296 Q CB -0.239 28.536 28.738 0.061 0.000 0.901 296 Q HN 0.538 nan 8.270 nan 0.000 0.429 297 W N 1.126 122.431 121.300 0.009 0.000 2.418 297 W HA -0.140 4.638 4.660 0.197 0.000 0.292 297 W C 2.183 178.756 176.519 0.091 0.000 1.213 297 W CA 1.186 58.554 57.345 0.038 0.000 1.283 297 W CB -0.033 29.434 29.460 0.012 0.000 1.119 297 W HN 0.089 nan 8.180 nan 0.000 0.542 298 Q N 0.493 120.272 119.800 -0.034 0.000 2.050 298 Q HA -0.180 4.279 4.340 0.198 0.000 0.202 298 Q C 2.163 178.100 176.000 -0.105 0.000 0.980 298 Q CA 2.089 57.809 55.803 -0.138 0.000 0.840 298 Q CB -0.649 28.123 28.738 0.057 0.000 0.898 298 Q HN 0.315 nan 8.270 nan 0.000 0.424 299 A N 0.300 123.066 122.820 -0.090 0.000 2.121 299 A HA -0.102 4.337 4.320 0.198 0.000 0.218 299 A C 2.052 179.568 177.584 -0.113 0.000 1.154 299 A CA 1.780 53.748 52.037 -0.115 0.000 0.679 299 A CB -0.270 18.674 19.000 -0.093 0.000 0.795 299 A HN 0.532 nan 8.150 nan 0.000 0.458 300 S N -1.443 114.177 115.700 -0.133 0.000 2.524 300 S HA 0.052 4.640 4.470 0.198 0.000 0.222 300 S C 0.941 175.472 174.600 -0.115 0.000 1.040 300 S CA 0.277 58.423 58.200 -0.091 0.000 0.915 300 S CB -1.391 61.791 63.200 -0.031 0.000 0.831 300 S HN 0.871 nan 8.310 nan 0.000 0.492 301 C N 1.573 120.681 119.300 -0.321 0.000 2.656 301 C HA 0.641 5.220 4.460 0.198 0.000 0.391 301 C C 0.535 175.509 174.990 -0.028 0.000 1.300 301 C CA -0.541 58.289 59.018 -0.313 0.000 2.302 301 C CB 0.008 27.222 27.740 -0.877 0.000 2.655 301 C HN 0.546 nan 8.230 nan 0.000 0.656 302 E N 1.146 121.347 120.200 0.001 0.000 4.017 302 E HA 0.234 4.703 4.350 0.198 0.000 0.205 302 E C -2.179 174.456 176.600 0.059 0.000 1.054 302 E CA -0.736 55.709 56.400 0.076 0.000 1.398 302 E CB 0.405 30.150 29.700 0.074 0.000 1.164 302 E HN 0.716 nan 8.360 nan 0.000 0.445 303 P HA 0.036 nan 4.420 nan 0.000 0.271 303 P C 0.452 177.790 177.300 0.064 0.000 1.244 303 P CA 0.104 63.210 63.100 0.009 0.000 0.793 303 P CB 1.237 32.891 31.700 -0.077 0.000 0.984 304 E N -0.396 119.870 120.200 0.110 0.000 2.106 304 E HA -0.106 4.363 4.350 0.198 0.000 0.192 304 E C 0.312 176.975 176.600 0.105 0.000 0.984 304 E CA 1.197 57.698 56.400 0.169 0.000 0.806 304 E CB 0.120 30.015 29.700 0.326 0.000 0.750 304 E HN 0.546 nan 8.360 nan 0.000 0.458 305 E N -0.826 119.357 120.200 -0.029 0.000 2.288 305 E HA 0.315 4.784 4.350 0.198 0.000 0.268 305 E C -1.530 175.066 176.600 -0.007 0.000 0.885 305 E CA -0.770 55.593 56.400 -0.062 0.000 0.767 305 E CB 1.935 31.469 29.700 -0.277 0.000 1.220 305 E HN -0.042 nan 8.360 nan 0.000 0.427 306 Y N 1.397 121.738 120.300 0.068 0.000 2.361 306 Y HA 0.355 5.024 4.550 0.198 0.000 0.337 306 Y C -1.655 174.446 175.900 0.335 0.000 0.965 306 Y CA -0.940 57.193 58.100 0.055 0.000 1.091 306 Y CB 0.976 39.361 38.460 -0.125 0.000 1.182 306 Y HN 0.460 nan 8.280 nan 0.000 0.450 307 W N 7.508 128.810 121.300 0.005 0.000 2.471 307 W HA 0.611 5.390 4.660 0.197 0.000 0.318 307 W C -1.143 175.404 176.519 0.047 0.000 1.034 307 W CA -1.544 55.811 57.345 0.018 0.000 1.224 307 W CB 1.123 30.541 29.460 -0.070 0.000 1.335 307 W HN 0.322 nan 8.180 nan 0.000 0.452 308 I N 4.275 124.963 120.570 0.196 0.000 2.355 308 I HA 0.303 4.592 4.170 0.198 0.000 0.288 308 I C -0.455 175.584 176.117 -0.131 0.000 0.999 308 I CA -1.090 60.249 61.300 0.065 0.000 1.163 308 I CB 1.185 39.224 38.000 0.065 0.000 1.316 308 I HN -0.120 nan 8.210 nan 0.000 0.454 309 V N 5.569 125.325 119.914 -0.263 0.000 2.328 309 V HA 0.453 4.692 4.120 0.198 0.000 0.278 309 V C -0.420 175.500 176.094 -0.291 0.000 1.021 309 V CA -0.132 61.885 62.300 -0.471 0.000 0.838 309 V CB 1.401 32.620 31.823 -1.006 0.000 0.999 309 V HN 0.690 nan 8.190 nan 0.000 0.447 310 D N 2.535 122.814 120.400 -0.200 0.000 2.599 310 D HA 0.247 5.006 4.640 0.198 0.000 0.252 310 D C -0.429 175.834 176.300 -0.062 0.000 1.232 310 D CA -0.418 53.515 54.000 -0.112 0.000 0.819 310 D CB 2.760 43.519 40.800 -0.069 0.000 1.401 310 D HN 0.390 nan 8.370 nan 0.000 0.429 311 D N 0.896 121.293 120.400 -0.005 0.000 2.358 311 D HA 0.216 4.975 4.640 0.198 0.000 0.224 311 D C 0.176 176.561 176.300 0.141 0.000 1.123 311 D CA -0.137 53.911 54.000 0.080 0.000 0.833 311 D CB -0.112 40.743 40.800 0.092 0.000 0.946 311 D HN 0.356 nan 8.370 nan 0.000 0.505 312 I N 0.172 120.775 120.570 0.056 0.000 2.822 312 I HA 0.253 4.542 4.170 0.198 0.000 0.312 312 I C 0.045 176.156 176.117 -0.010 0.000 1.011 312 I CA -0.760 60.573 61.300 0.056 0.000 1.105 312 I CB 1.661 39.683 38.000 0.036 0.000 1.291 312 I HN -0.242 nan 8.210 nan 0.000 0.474 313 E N 2.790 122.975 120.200 -0.026 0.000 2.283 313 E HA 0.587 5.056 4.350 0.198 0.000 0.267 313 E C -0.171 176.400 176.600 -0.049 0.000 1.045 313 E CA 0.076 56.435 56.400 -0.069 0.000 0.884 313 E CB 1.336 30.982 29.700 -0.091 0.000 1.106 313 E HN 0.934 nan 8.360 nan 0.000 0.408 314 G N 1.160 109.926 108.800 -0.056 0.000 2.631 314 G HA2 -0.209 3.870 3.960 0.198 0.000 0.504 314 G HA3 -0.209 3.870 3.960 0.198 0.000 0.504 314 G C -0.781 174.093 174.900 -0.044 0.000 1.306 314 G CA -0.935 44.139 45.100 -0.044 0.000 0.897 314 G HN 0.468 nan 8.290 nan 0.000 0.520 315 R N -0.711 119.768 120.500 -0.034 0.000 2.590 315 R HA 0.456 4.915 4.340 0.198 0.000 0.274 315 R C 0.779 177.054 176.300 -0.043 0.000 1.061 315 R CA 0.169 56.248 56.100 -0.034 0.000 1.081 315 R CB 0.329 30.622 30.300 -0.012 0.000 0.984 315 R HN 0.436 nan 8.270 nan 0.000 0.448 316 L N 0.613 121.802 121.223 -0.057 0.000 3.217 316 L HA 0.159 4.618 4.340 0.198 0.000 0.288 316 L C -0.076 176.736 176.870 -0.098 0.000 1.202 316 L CA -0.115 54.688 54.840 -0.061 0.000 1.027 316 L CB 0.585 42.618 42.059 -0.043 0.000 1.427 316 L HN 0.503 nan 8.230 nan 0.000 0.600 317 D N 1.981 122.294 120.400 -0.144 0.000 2.456 317 D HA 0.197 4.956 4.640 0.198 0.000 0.219 317 D C -1.689 174.390 176.300 -0.369 0.000 1.126 317 D CA -2.049 51.799 54.000 -0.254 0.000 0.890 317 D CB 1.423 42.047 40.800 -0.294 0.000 1.025 317 D HN -0.069 nan 8.370 nan 0.000 0.511 318 P HA 0.061 nan 4.420 nan 0.000 0.239 318 P C 0.375 177.235 177.300 -0.733 0.000 1.184 318 P CA 0.363 63.195 63.100 -0.447 0.000 0.760 318 P CB 0.387 31.950 31.700 -0.227 0.000 0.884 319 A N -1.446 120.953 122.820 -0.701 0.000 2.469 319 A HA 0.117 4.556 4.320 0.198 0.000 0.245 319 A C 0.288 177.514 177.584 -0.597 0.000 1.221 319 A CA -0.255 51.418 52.037 -0.606 0.000 0.946 319 A CB -0.756 17.953 19.000 -0.485 0.000 1.049 319 A HN 0.231 nan 8.150 nan 0.000 0.529 320 H N 0.228 119.129 119.070 -0.283 0.000 2.626 320 H HA -0.196 4.478 4.556 0.197 0.000 0.317 320 H C -0.381 174.814 175.328 -0.222 0.000 1.140 320 H CA 1.037 56.959 56.048 -0.210 0.000 1.134 320 H CB -2.457 27.214 29.762 -0.152 0.000 1.486 320 H HN 0.771 nan 8.280 nan 0.000 0.417 321 H N 0.413 119.405 119.070 -0.129 0.000 2.913 321 H HA 0.130 4.804 4.556 0.198 0.000 0.365 321 H C 1.337 176.665 175.328 0.000 0.000 1.155 321 H CA 0.235 56.242 56.048 -0.068 0.000 1.417 321 H CB 0.599 30.306 29.762 -0.092 0.000 1.386 321 H HN 0.336 nan 8.280 nan 0.000 0.614 322 R N 0.769 121.371 120.500 0.169 0.000 2.623 322 R HA 0.329 4.788 4.340 0.198 0.000 0.271 322 R C 0.229 176.622 176.300 0.155 0.000 1.043 322 R CA 0.937 57.111 56.100 0.123 0.000 1.083 322 R CB -0.038 30.325 30.300 0.106 0.000 0.974 322 R HN 0.917 nan 8.270 nan 0.000 0.436 323 G N 2.151 111.012 108.800 0.101 0.000 2.332 323 G HA2 0.065 4.144 3.960 0.198 0.000 0.265 323 G HA3 0.065 4.144 3.960 0.198 0.000 0.265 323 G C -1.574 173.308 174.900 -0.030 0.000 1.329 323 G CA -0.938 44.224 45.100 0.104 0.000 0.949 323 G HN 0.576 nan 8.290 nan 0.000 0.476 324 R N -0.727 119.694 120.500 -0.131 0.000 2.725 324 R HA 0.747 5.205 4.340 0.198 0.000 0.277 324 R C -0.820 175.352 176.300 -0.213 0.000 0.987 324 R CA -0.988 54.937 56.100 -0.291 0.000 0.901 324 R CB 2.404 32.294 30.300 -0.684 0.000 1.207 324 R HN 0.552 nan 8.270 nan 0.000 0.463 325 R N 2.411 122.803 120.500 -0.179 0.000 2.437 325 R HA 0.475 4.934 4.340 0.198 0.000 0.310 325 R C -1.570 174.631 176.300 -0.165 0.000 0.955 325 R CA -0.320 55.698 56.100 -0.138 0.000 0.851 325 R CB 0.879 31.125 30.300 -0.090 0.000 1.161 325 R HN 0.571 nan 8.270 nan 0.000 0.446 326 L N 6.113 127.224 121.223 -0.186 0.000 2.372 326 L HA 0.508 4.967 4.340 0.198 0.000 0.273 326 L C -0.895 175.877 176.870 -0.164 0.000 0.989 326 L CA -0.995 53.732 54.840 -0.189 0.000 0.841 326 L CB 1.782 43.667 42.059 -0.291 0.000 1.225 326 L HN 0.577 nan 8.230 nan 0.000 0.414 327 I N 3.626 124.142 120.570 -0.091 0.000 2.304 327 I HA 0.730 5.019 4.170 0.198 0.000 0.291 327 I C 0.263 176.379 176.117 -0.002 0.000 1.018 327 I CA 0.246 61.507 61.300 -0.066 0.000 1.260 327 I CB 1.489 39.433 38.000 -0.093 0.000 1.390 327 I HN 0.680 nan 8.210 nan 0.000 0.475 328 A N 5.184 128.009 122.820 0.009 0.000 2.569 328 A HA 0.330 4.769 4.320 0.198 0.000 0.292 328 A C -0.858 176.761 177.584 0.059 0.000 1.032 328 A CA -0.886 51.199 52.037 0.080 0.000 0.669 328 A CB 0.742 19.851 19.000 0.181 0.000 1.290 328 A HN 0.564 nan 8.150 nan 0.000 0.422 329 N N 1.144 119.892 118.700 0.080 0.000 2.414 329 N HA 0.027 4.885 4.740 0.198 0.000 0.268 329 N C 1.175 176.720 175.510 0.058 0.000 1.286 329 N CA 0.270 53.351 53.050 0.053 0.000 0.896 329 N CB 0.211 38.727 38.487 0.048 0.000 1.093 329 N HN 0.554 nan 8.380 nan 0.000 0.480 330 I N 4.039 124.612 120.570 0.006 0.000 2.091 330 I HA -0.410 3.879 4.170 0.198 0.000 0.240 330 I C 2.327 178.457 176.117 0.022 0.000 1.046 330 I CA 2.026 63.312 61.300 -0.023 0.000 1.306 330 I CB -0.409 37.546 38.000 -0.075 0.000 1.018 330 I HN 0.696 nan 8.210 nan 0.000 0.404 331 A N 0.463 123.288 122.820 0.007 0.000 1.873 331 A HA -0.314 4.125 4.320 0.198 0.000 0.218 331 A C 1.991 179.596 177.584 0.035 0.000 1.193 331 A CA 2.458 54.498 52.037 0.005 0.000 0.629 331 A CB -0.918 18.086 19.000 0.006 0.000 0.826 331 A HN 0.457 nan 8.150 nan 0.000 0.447 332 D N -1.715 118.720 120.400 0.059 0.000 2.149 332 D HA -0.214 4.544 4.640 0.198 0.000 0.194 332 D C 1.594 177.955 176.300 0.102 0.000 1.001 332 D CA 1.522 55.562 54.000 0.066 0.000 0.849 332 D CB -0.457 40.387 40.800 0.074 0.000 0.939 332 D HN 0.795 nan 8.370 nan 0.000 0.449 333 W N 1.365 122.638 121.300 -0.045 0.000 2.418 333 W HA -0.013 4.767 4.660 0.199 0.000 0.292 333 W C 2.150 178.646 176.519 -0.039 0.000 1.213 333 W CA 0.654 58.007 57.345 0.013 0.000 1.283 333 W CB -0.185 29.254 29.460 -0.035 0.000 1.119 333 W HN -0.116 nan 8.180 nan 0.000 0.542 334 L N 0.336 121.613 121.223 0.090 0.000 2.043 334 L HA -0.268 4.191 4.340 0.198 0.000 0.212 334 L C 2.308 179.124 176.870 -0.090 0.000 1.075 334 L CA 1.871 56.576 54.840 -0.225 0.000 0.752 334 L CB -1.029 40.844 42.059 -0.311 0.000 0.891 334 L HN 0.080 nan 8.230 nan 0.000 0.432 335 E N -0.174 120.002 120.200 -0.040 0.000 2.072 335 E HA -0.232 4.237 4.350 0.198 0.000 0.191 335 E C 2.106 178.659 176.600 -0.078 0.000 0.985 335 E CA 0.805 57.194 56.400 -0.018 0.000 0.801 335 E CB -0.076 29.621 29.700 -0.005 0.000 0.750 335 E HN 0.198 nan 8.360 nan 0.000 0.452 336 L N 0.543 121.647 121.223 -0.197 0.000 2.191 336 L HA -0.128 4.330 4.340 0.198 0.000 0.212 336 L C 0.208 176.664 176.870 -0.691 0.000 1.103 336 L CA 1.808 56.385 54.840 -0.439 0.000 0.769 336 L CB -0.220 41.492 42.059 -0.578 0.000 0.908 336 L HN 0.098 nan 8.230 nan 0.000 0.438 337 H N -0.349 118.469 119.070 -0.420 0.000 2.530 337 H HA 0.355 5.030 4.556 0.198 0.000 0.246 337 H C -2.356 173.120 175.328 0.247 0.000 1.346 337 H CA -2.294 53.471 56.048 -0.471 0.000 1.424 337 H CB 0.035 28.754 29.762 -1.738 0.000 1.445 337 H HN 0.104 nan 8.280 nan 0.000 0.511 338 P HA 0.141 nan 4.420 nan 0.000 0.275 338 P C 0.009 177.713 177.300 0.674 0.000 1.228 338 P CA -0.355 63.089 63.100 0.573 0.000 0.786 338 P CB 1.139 33.027 31.700 0.313 0.000 0.927 339 A N 2.056 125.112 122.820 0.392 0.000 2.407 339 A HA 0.255 4.694 4.320 0.198 0.000 0.248 339 A C 0.390 177.873 177.584 -0.170 0.000 1.082 339 A CA 0.069 52.014 52.037 -0.154 0.000 0.785 339 A CB -0.282 18.376 19.000 -0.570 0.000 1.020 339 A HN 0.528 nan 8.150 nan 0.000 0.489 340 E N 0.832 120.831 120.200 -0.334 0.000 2.204 340 E HA 0.432 4.900 4.350 0.198 0.000 0.276 340 E C -0.856 175.575 176.600 -0.282 0.000 0.974 340 E CA -0.416 55.797 56.400 -0.313 0.000 0.815 340 E CB 0.757 30.218 29.700 -0.398 0.000 1.119 340 E HN 0.414 nan 8.360 nan 0.000 0.393 341 K N 2.993 123.271 120.400 -0.204 0.000 2.349 341 K HA 0.305 4.744 4.320 0.198 0.000 0.288 341 K C -0.044 176.463 176.600 -0.156 0.000 1.058 341 K CA -0.044 56.143 56.287 -0.166 0.000 0.953 341 K CB 0.847 33.278 32.500 -0.115 0.000 0.997 341 K HN 0.348 nan 8.250 nan 0.000 0.477 342 R N 1.681 122.094 120.500 -0.145 0.000 2.836 342 R HA 0.194 4.653 4.340 0.198 0.000 0.269 342 R C -1.130 175.150 176.300 -0.033 0.000 1.010 342 R CA -0.922 55.123 56.100 -0.092 0.000 0.930 342 R CB 1.237 31.481 30.300 -0.093 0.000 1.218 342 R HN 0.358 nan 8.270 nan 0.000 0.473 343 Q N 2.410 122.212 119.800 0.002 0.000 2.311 343 Q HA 0.208 4.667 4.340 0.198 0.000 0.272 343 Q C -2.226 173.833 176.000 0.097 0.000 1.012 343 Q CA -1.286 54.534 55.803 0.028 0.000 0.891 343 Q CB 0.854 29.608 28.738 0.026 0.000 1.201 343 Q HN 0.292 nan 8.270 nan 0.000 0.391 344 P HA -0.140 nan 4.420 nan 0.000 0.259 344 P C 0.074 177.428 177.300 0.089 0.000 1.163 344 P CA 0.448 63.576 63.100 0.046 0.000 0.760 344 P CB 0.114 31.787 31.700 -0.046 0.000 0.762 345 W N 2.745 124.055 121.300 0.016 0.000 2.812 345 W HA 0.143 4.922 4.660 0.197 0.000 0.263 345 W C -0.756 175.742 176.519 -0.034 0.000 1.284 345 W CA -0.028 57.309 57.345 -0.013 0.000 1.430 345 W CB -1.005 28.445 29.460 -0.018 0.000 1.088 345 W HN 0.067 nan 8.180 nan 0.000 0.623 346 C N 3.173 122.040 119.300 -0.721 0.000 2.373 346 C HA 0.260 4.839 4.460 0.198 0.000 0.354 346 C C 1.971 176.749 174.990 -0.354 0.000 1.249 346 C CA -0.298 58.308 59.018 -0.687 0.000 1.784 346 C CB 0.726 27.891 27.740 -0.958 0.000 2.408 346 C HN 0.146 nan 8.230 nan 0.000 0.542 347 V N 3.177 122.947 119.914 -0.239 0.000 2.575 347 V HA -0.028 4.210 4.120 0.198 0.000 0.242 347 V C 2.078 178.057 176.094 -0.192 0.000 1.045 347 V CA 1.311 63.508 62.300 -0.171 0.000 1.065 347 V CB -0.469 31.296 31.823 -0.098 0.000 0.717 347 V HN 0.830 nan 8.190 nan 0.000 0.467 348 E N 0.316 120.397 120.200 -0.198 0.000 2.051 348 E HA -0.039 4.430 4.350 0.198 0.000 0.189 348 E C 2.125 178.559 176.600 -0.278 0.000 0.979 348 E CA 0.962 57.249 56.400 -0.189 0.000 0.803 348 E CB -0.124 29.499 29.700 -0.129 0.000 0.761 348 E HN 0.489 nan 8.360 nan 0.000 0.451 349 I N 1.135 121.476 120.570 -0.383 0.000 2.163 349 I HA -0.228 4.061 4.170 0.198 0.000 0.243 349 I C -0.972 174.743 176.117 -0.669 0.000 1.085 349 I CA 1.105 62.030 61.300 -0.625 0.000 1.347 349 I CB -0.866 36.674 38.000 -0.767 0.000 1.044 349 I HN 0.138 nan 8.210 nan 0.000 0.408 350 P HA -0.164 nan 4.420 nan 0.000 0.221 350 P C 1.468 178.582 177.300 -0.311 0.000 1.145 350 P CA 1.345 64.215 63.100 -0.383 0.000 0.795 350 P CB -0.067 31.466 31.700 -0.277 0.000 0.775 351 R N -0.397 119.937 120.500 -0.277 0.000 2.075 351 R HA 0.038 4.497 4.340 0.198 0.000 0.226 351 R C 2.171 178.348 176.300 -0.205 0.000 1.114 351 R CA 0.915 56.894 56.100 -0.200 0.000 0.972 351 R CB -0.677 29.532 30.300 -0.152 0.000 0.869 351 R HN 0.139 nan 8.270 nan 0.000 0.437 352 L N -0.008 121.056 121.223 -0.265 0.000 2.093 352 L HA -0.040 4.419 4.340 0.198 0.000 0.208 352 L C 2.652 179.355 176.870 -0.278 0.000 1.085 352 L CA 1.079 55.785 54.840 -0.223 0.000 0.755 352 L CB -0.628 41.310 42.059 -0.203 0.000 0.904 352 L HN 0.268 nan 8.230 nan 0.000 0.435 353 A N 0.272 122.760 122.820 -0.552 0.000 1.873 353 A HA -0.296 4.142 4.320 0.198 0.000 0.218 353 A C 2.304 179.792 177.584 -0.159 0.000 1.193 353 A CA 2.171 53.927 52.037 -0.468 0.000 0.629 353 A CB -0.645 18.001 19.000 -0.589 0.000 0.826 353 A HN 0.494 nan 8.150 nan 0.000 0.447 354 E N -0.702 119.402 120.200 -0.159 0.000 2.204 354 E HA -0.216 4.253 4.350 0.198 0.000 0.194 354 E C 2.071 178.636 176.600 -0.059 0.000 0.989 354 E CA 1.097 57.444 56.400 -0.087 0.000 0.824 354 E CB -0.105 29.541 29.700 -0.090 0.000 0.756 354 E HN 0.783 nan 8.360 nan 0.000 0.477 355 Q N -0.324 119.434 119.800 -0.070 0.000 2.187 355 Q HA -0.032 4.427 4.340 0.198 0.000 0.199 355 Q C 2.081 178.074 176.000 -0.012 0.000 0.957 355 Q CA 0.964 56.742 55.803 -0.041 0.000 0.857 355 Q CB 0.045 28.755 28.738 -0.046 0.000 0.929 355 Q HN 0.306 nan 8.270 nan 0.000 0.453 356 A N 0.897 123.726 122.820 0.013 0.000 1.851 356 A HA -0.256 4.182 4.320 0.198 0.000 0.216 356 A C 2.045 179.648 177.584 0.031 0.000 1.195 356 A CA 1.769 53.841 52.037 0.058 0.000 0.622 356 A CB -0.612 18.493 19.000 0.175 0.000 0.831 356 A HN 0.391 nan 8.150 nan 0.000 0.444 357 M N -0.195 119.427 119.600 0.036 0.000 2.108 357 M HA -0.224 4.374 4.480 0.198 0.000 0.261 357 M C 2.080 178.378 176.300 -0.005 0.000 1.066 357 M CA 2.144 57.462 55.300 0.029 0.000 1.107 357 M CB -0.809 31.815 32.600 0.040 0.000 1.356 357 M HN 0.536 nan 8.290 nan 0.000 0.406 358 Q N -0.753 119.039 119.800 -0.012 0.000 2.135 358 Q HA -0.151 4.308 4.340 0.198 0.000 0.204 358 Q C 2.024 178.001 176.000 -0.039 0.000 0.981 358 Q CA 1.953 57.743 55.803 -0.023 0.000 0.856 358 Q CB -0.356 28.369 28.738 -0.022 0.000 0.902 358 Q HN 0.732 nan 8.270 nan 0.000 0.425 359 A N -0.388 122.410 122.820 -0.037 0.000 1.968 359 A HA -0.088 4.351 4.320 0.198 0.000 0.217 359 A C 2.194 179.729 177.584 -0.081 0.000 1.169 359 A CA 0.976 52.986 52.037 -0.044 0.000 0.638 359 A CB -0.308 18.676 19.000 -0.028 0.000 0.812 359 A HN 0.217 nan 8.150 nan 0.000 0.446 360 V N 0.359 120.201 119.914 -0.120 0.000 2.270 360 V HA -0.243 3.996 4.120 0.198 0.000 0.245 360 V C 2.387 178.261 176.094 -0.366 0.000 1.043 360 V CA 1.909 64.064 62.300 -0.242 0.000 1.014 360 V CB -0.749 30.906 31.823 -0.280 0.000 0.645 360 V HN 0.573 nan 8.190 nan 0.000 0.447 361 I N 0.985 121.382 120.570 -0.290 0.000 2.248 361 I HA -0.313 3.976 4.170 0.198 0.000 0.248 361 I C 2.647 178.702 176.117 -0.103 0.000 1.107 361 I CA 1.568 62.767 61.300 -0.167 0.000 1.373 361 I CB -0.664 37.327 38.000 -0.015 0.000 1.055 361 I HN 0.310 nan 8.210 nan 0.000 0.418 362 A N 0.742 123.512 122.820 -0.082 0.000 2.032 362 A HA -0.180 4.258 4.320 0.198 0.000 0.221 362 A C 2.133 179.695 177.584 -0.036 0.000 1.165 362 A CA 1.560 53.570 52.037 -0.045 0.000 0.645 362 A CB -0.432 18.547 19.000 -0.034 0.000 0.807 362 A HN 0.467 nan 8.150 nan 0.000 0.453 363 R N -1.143 119.317 120.500 -0.067 0.000 2.543 363 R HA 0.102 4.561 4.340 0.198 0.000 0.323 363 R C 1.430 177.719 176.300 -0.018 0.000 1.002 363 R CA 0.312 56.392 56.100 -0.034 0.000 1.106 363 R CB 0.148 30.420 30.300 -0.047 0.000 1.280 363 R HN 0.716 nan 8.270 nan 0.000 0.549 364 R N 0.411 120.888 120.500 -0.039 0.000 2.237 364 R HA -0.048 4.410 4.340 0.198 0.000 0.219 364 R C 0.410 176.759 176.300 0.080 0.000 1.080 364 R CA 1.226 57.332 56.100 0.011 0.000 0.995 364 R CB -0.089 30.232 30.300 0.035 0.000 0.875 364 R HN 0.048 nan 8.270 nan 0.000 0.462 365 D N 1.942 122.413 120.400 0.119 0.000 2.120 365 D HA 0.034 4.793 4.640 0.198 0.000 0.202 365 D C 0.747 177.316 176.300 0.447 0.000 0.972 365 D CA 1.074 55.205 54.000 0.220 0.000 0.837 365 D CB -0.341 40.549 40.800 0.149 0.000 0.989 365 D HN 0.344 nan 8.370 nan 0.000 0.469 366 A N 0.785 123.799 122.820 0.322 0.000 2.587 366 A HA -0.117 4.322 4.320 0.198 0.000 0.233 366 A C -0.047 177.803 177.584 0.443 0.000 1.049 366 A CA 0.019 52.246 52.037 0.316 0.000 0.754 366 A CB -0.336 18.776 19.000 0.188 0.000 0.977 366 A HN 0.168 nan 8.150 nan 0.000 0.509 367 F N 3.051 123.045 119.950 0.074 0.000 2.666 367 F HA 0.454 5.100 4.527 0.198 0.000 0.362 367 F C 0.943 176.675 175.800 -0.115 0.000 1.190 367 F CA 0.416 58.278 58.000 -0.230 0.000 1.328 367 F CB -0.525 38.191 39.000 -0.472 0.000 1.682 367 F HN 0.628 nan 8.300 nan 0.000 0.623 368 G N 1.472 110.204 108.800 -0.112 0.000 3.211 368 G HA2 0.242 4.321 3.960 0.198 0.000 0.262 368 G HA3 0.242 4.321 3.960 0.198 0.000 0.262 368 G C 0.351 175.193 174.900 -0.096 0.000 1.352 368 G CA -0.196 44.831 45.100 -0.121 0.000 1.004 368 G HN 0.386 nan 8.290 nan 0.000 0.559 369 E N -1.013 119.159 120.200 -0.046 0.000 2.122 369 E HA 0.120 4.589 4.350 0.198 0.000 0.190 369 E C 2.263 178.889 176.600 0.044 0.000 0.977 369 E CA 1.012 57.405 56.400 -0.012 0.000 0.820 369 E CB -0.152 29.537 29.700 -0.018 0.000 0.770 369 E HN 0.374 nan 8.360 nan 0.000 0.462 370 A N 1.146 123.992 122.820 0.044 0.000 1.948 370 A HA -0.269 4.169 4.320 0.198 0.000 0.220 370 A C 2.128 179.775 177.584 0.105 0.000 1.177 370 A CA 1.944 54.014 52.037 0.056 0.000 0.636 370 A CB -0.463 18.557 19.000 0.033 0.000 0.815 370 A HN 0.216 nan 8.150 nan 0.000 0.449 371 Q N -0.952 118.940 119.800 0.154 0.000 2.020 371 Q HA -0.039 4.420 4.340 0.198 0.000 0.198 371 Q C 2.048 178.208 176.000 0.266 0.000 0.974 371 Q CA 1.269 57.217 55.803 0.241 0.000 0.829 371 Q CB -0.669 28.312 28.738 0.406 0.000 0.894 371 Q HN 0.543 nan 8.270 nan 0.000 0.433 372 L N 0.647 122.064 121.223 0.324 0.000 1.997 372 L HA -0.250 4.208 4.340 0.198 0.000 0.216 372 L C 2.020 178.994 176.870 0.175 0.000 1.074 372 L CA 2.370 57.392 54.840 0.304 0.000 0.763 372 L CB -1.174 41.013 42.059 0.213 0.000 0.890 372 L HN 0.232 nan 8.230 nan 0.000 0.434 373 A N -1.435 121.459 122.820 0.124 0.000 1.892 373 A HA -0.363 4.076 4.320 0.198 0.000 0.218 373 A C 2.300 179.928 177.584 0.072 0.000 1.188 373 A CA 2.158 54.243 52.037 0.080 0.000 0.631 373 A CB -1.168 17.869 19.000 0.061 0.000 0.822 373 A HN 0.771 nan 8.150 nan 0.000 0.447 374 H N -0.244 118.822 119.070 -0.008 0.000 2.293 374 H HA -0.044 4.631 4.556 0.198 0.000 0.300 374 H C 2.203 177.470 175.328 -0.100 0.000 1.082 374 H CA 2.145 58.164 56.048 -0.049 0.000 1.308 374 H CB -0.070 29.665 29.762 -0.045 0.000 1.375 374 H HN 0.377 nan 8.280 nan 0.000 0.495 375 R N -0.293 120.073 120.500 -0.224 0.000 2.148 375 R HA -0.048 4.411 4.340 0.198 0.000 0.223 375 R C 2.310 178.339 176.300 -0.452 0.000 1.088 375 R CA 0.835 56.676 56.100 -0.430 0.000 0.985 375 R CB -0.522 29.549 30.300 -0.382 0.000 0.880 375 R HN 0.325 nan 8.270 nan 0.000 0.451 376 I N 1.931 122.377 120.570 -0.207 0.000 2.237 376 I HA -0.475 3.814 4.170 0.198 0.000 0.245 376 I C 2.460 178.409 176.117 -0.281 0.000 1.013 376 I CA 1.794 63.018 61.300 -0.126 0.000 1.298 376 I CB -0.407 37.576 38.000 -0.028 0.000 0.995 376 I HN 0.340 nan 8.210 nan 0.000 0.422 377 C N -0.882 118.219 119.300 -0.331 0.000 2.409 377 C HA -0.099 4.480 4.460 0.198 0.000 0.284 377 C C 2.117 176.861 174.990 -0.410 0.000 1.354 377 C CA 0.472 59.276 59.018 -0.356 0.000 1.787 377 C CB -1.672 25.883 27.740 -0.309 0.000 1.900 377 C HN 0.489 nan 8.230 nan 0.000 0.520 378 D N -0.024 120.041 120.400 -0.558 0.000 2.347 378 D HA -0.010 4.748 4.640 0.198 0.000 0.215 378 D C 1.190 177.152 176.300 -0.564 0.000 0.976 378 D CA 1.141 54.765 54.000 -0.626 0.000 0.884 378 D CB -0.252 40.061 40.800 -0.811 0.000 0.915 378 D HN 0.652 nan 8.370 nan 0.000 0.526 379 Y N 0.032 120.171 120.300 -0.269 0.000 2.481 379 Y HA 0.301 4.970 4.550 0.197 0.000 0.247 379 Y C 0.781 176.495 175.900 -0.311 0.000 1.151 379 Y CA -0.815 57.040 58.100 -0.409 0.000 1.238 379 Y CB -0.415 37.593 38.460 -0.754 0.000 1.179 379 Y HN -0.189 nan 8.280 nan 0.000 0.524 380 L N 4.249 125.356 121.223 -0.194 0.000 2.559 380 L HA 0.037 4.496 4.340 0.198 0.000 0.282 380 L C -1.960 174.767 176.870 -0.238 0.000 1.232 380 L CA -1.426 53.267 54.840 -0.245 0.000 0.885 380 L CB -0.035 41.622 42.059 -0.671 0.000 1.131 380 L HN -0.068 nan 8.230 nan 0.000 0.498 381 P HA 0.060 nan 4.420 nan 0.000 0.275 381 P C -0.438 176.694 177.300 -0.280 0.000 1.227 381 P CA -0.373 62.313 63.100 -0.691 0.000 0.781 381 P CB 0.569 31.578 31.700 -1.151 0.000 0.906 382 E N 3.080 123.097 120.200 -0.304 0.000 2.465 382 E HA -0.075 4.394 4.350 0.198 0.000 0.260 382 E C 0.749 177.293 176.600 -0.094 0.000 0.980 382 E CA 0.524 56.848 56.400 -0.127 0.000 0.927 382 E CB 0.194 29.822 29.700 -0.120 0.000 0.934 382 E HN 0.367 nan 8.360 nan 0.000 0.459 383 Q N -0.209 119.575 119.800 -0.026 0.000 2.436 383 Q HA -0.237 4.222 4.340 0.198 0.000 0.264 383 Q C 0.408 176.335 176.000 -0.121 0.000 1.093 383 Q CA 1.336 57.097 55.803 -0.069 0.000 0.994 383 Q CB -2.130 26.573 28.738 -0.058 0.000 1.434 383 Q HN 0.690 nan 8.270 nan 0.000 0.520 384 G N -0.610 108.110 108.800 -0.133 0.000 3.008 384 G HA2 0.618 4.697 3.960 0.198 0.000 0.181 384 G HA3 0.618 4.697 3.960 0.198 0.000 0.181 384 G C -0.551 174.201 174.900 -0.245 0.000 1.309 384 G CA -0.472 44.549 45.100 -0.131 0.000 1.009 384 G HN 0.115 nan 8.290 nan 0.000 0.584 385 Q N -1.456 118.335 119.800 -0.015 0.000 2.416 385 Q HA 0.542 5.000 4.340 0.198 0.000 0.281 385 Q C -1.852 174.316 176.000 0.281 0.000 1.067 385 Q CA -0.753 55.089 55.803 0.064 0.000 0.809 385 Q CB 2.970 31.826 28.738 0.197 0.000 1.418 385 Q HN 0.359 nan 8.270 nan 0.000 0.411 386 L N 1.754 123.162 121.223 0.308 0.000 2.305 386 L HA 0.550 5.009 4.340 0.198 0.000 0.284 386 L C -1.777 175.275 176.870 0.303 0.000 1.013 386 L CA -0.335 54.684 54.840 0.300 0.000 0.819 386 L CB 0.892 43.097 42.059 0.244 0.000 1.227 386 L HN 0.576 nan 8.230 nan 0.000 0.417 387 F N 5.953 126.006 119.950 0.171 0.000 2.388 387 F HA 0.543 5.186 4.527 0.193 0.000 0.358 387 F C -0.655 175.201 175.800 0.093 0.000 1.122 387 F CA -0.565 57.517 58.000 0.137 0.000 1.056 387 F CB 1.482 40.547 39.000 0.109 0.000 1.155 387 F HN 0.282 nan 8.300 nan 0.000 0.461 388 V N 7.827 127.433 119.914 -0.514 0.000 2.347 388 V HA 0.742 4.981 4.120 0.198 0.000 0.280 388 V C 0.477 176.271 176.094 -0.500 0.000 1.021 388 V CA -0.045 62.058 62.300 -0.328 0.000 0.847 388 V CB 0.527 32.231 31.823 -0.199 0.000 0.990 388 V HN 0.892 nan 8.190 nan 0.000 0.444 389 G N 5.406 114.058 108.800 -0.247 0.000 2.647 389 G HA2 0.137 4.216 3.960 0.198 0.000 0.271 389 G HA3 0.137 4.216 3.960 0.198 0.000 0.271 389 G C 0.171 174.987 174.900 -0.141 0.000 1.300 389 G CA -0.495 44.508 45.100 -0.162 0.000 0.997 389 G HN 0.766 nan 8.290 nan 0.000 0.533 390 N N -1.138 117.506 118.700 -0.093 0.000 2.443 390 N HA 0.345 5.204 4.740 0.198 0.000 0.294 390 N C 1.055 176.519 175.510 -0.077 0.000 1.289 390 N CA 0.333 53.332 53.050 -0.085 0.000 0.966 390 N CB 0.695 39.136 38.487 -0.075 0.000 1.122 390 N HN 0.755 nan 8.380 nan 0.000 0.569 391 S N -1.027 114.622 115.700 -0.086 0.000 3.762 391 S HA -0.256 4.333 4.470 0.198 0.000 0.627 391 S C 1.509 176.054 174.600 -0.092 0.000 2.389 391 S CA 1.067 59.202 58.200 -0.109 0.000 3.978 391 S CB -1.320 61.812 63.200 -0.114 0.000 0.234 391 S HN 0.451 nan 8.310 nan 0.000 0.960 392 L N 0.810 121.981 121.223 -0.086 0.000 2.017 392 L HA -0.071 4.387 4.340 0.198 0.000 0.208 392 L C 2.740 179.581 176.870 -0.047 0.000 1.073 392 L CA 1.961 56.761 54.840 -0.065 0.000 0.745 392 L CB -0.716 41.312 42.059 -0.052 0.000 0.894 392 L HN 0.615 nan 8.230 nan 0.000 0.432 393 V N -0.478 119.412 119.914 -0.040 0.000 2.317 393 V HA -0.299 3.940 4.120 0.198 0.000 0.251 393 V C 2.421 178.492 176.094 -0.039 0.000 1.065 393 V CA 2.175 64.458 62.300 -0.028 0.000 1.049 393 V CB -0.014 31.797 31.823 -0.020 0.000 0.651 393 V HN 0.320 nan 8.190 nan 0.000 0.450 394 V N 0.029 119.907 119.914 -0.059 0.000 2.427 394 V HA -0.213 4.025 4.120 0.198 0.000 0.248 394 V C 2.625 178.686 176.094 -0.054 0.000 1.051 394 V CA 2.580 64.839 62.300 -0.068 0.000 1.048 394 V CB -0.530 31.241 31.823 -0.086 0.000 0.666 394 V HN 0.622 nan 8.190 nan 0.000 0.456 395 R N -0.802 119.667 120.500 -0.051 0.000 2.100 395 R HA 0.114 4.572 4.340 0.198 0.000 0.220 395 R C 2.245 178.522 176.300 -0.037 0.000 1.091 395 R CA 1.280 57.352 56.100 -0.047 0.000 0.986 395 R CB -0.288 29.981 30.300 -0.052 0.000 0.888 395 R HN 0.425 nan 8.270 nan 0.000 0.444 396 L N 0.557 121.763 121.223 -0.028 0.000 1.994 396 L HA -0.165 4.294 4.340 0.198 0.000 0.208 396 L C 2.422 179.291 176.870 -0.002 0.000 1.071 396 L CA 1.367 56.200 54.840 -0.011 0.000 0.745 396 L CB -0.476 41.583 42.059 0.001 0.000 0.892 396 L HN 0.158 nan 8.230 nan 0.000 0.431 397 I N 0.159 120.726 120.570 -0.006 0.000 2.208 397 I HA -0.346 3.942 4.170 0.198 0.000 0.245 397 I C 2.261 178.368 176.117 -0.017 0.000 1.097 397 I CA 1.762 63.058 61.300 -0.007 0.000 1.363 397 I CB -0.439 37.551 38.000 -0.017 0.000 1.051 397 I HN 0.378 nan 8.210 nan 0.000 0.413 398 D N 0.874 121.257 120.400 -0.029 0.000 2.116 398 D HA -0.206 4.553 4.640 0.198 0.000 0.193 398 D C 2.104 178.384 176.300 -0.034 0.000 0.998 398 D CA 1.920 55.899 54.000 -0.036 0.000 0.836 398 D CB 0.087 40.859 40.800 -0.047 0.000 0.951 398 D HN 0.333 nan 8.370 nan 0.000 0.449 399 A N -0.275 122.525 122.820 -0.033 0.000 1.854 399 A HA 0.041 4.479 4.320 0.198 0.000 0.214 399 A C 2.293 179.876 177.584 -0.001 0.000 1.192 399 A CA 1.104 53.120 52.037 -0.035 0.000 0.611 399 A CB -0.564 18.412 19.000 -0.039 0.000 0.832 399 A HN 0.351 nan 8.150 nan 0.000 0.442 400 L N -1.210 120.028 121.223 0.024 0.000 2.585 400 L HA 0.205 4.664 4.340 0.198 0.000 0.226 400 L C 0.953 177.920 176.870 0.161 0.000 1.113 400 L CA 0.044 54.928 54.840 0.073 0.000 0.876 400 L CB 0.083 42.183 42.059 0.067 0.000 1.072 400 L HN 0.275 nan 8.230 nan 0.000 0.468 401 S N -0.121 115.623 115.700 0.073 0.000 2.600 401 S HA 0.393 4.982 4.470 0.198 0.000 0.300 401 S C -0.875 173.720 174.600 -0.009 0.000 1.087 401 S CA -0.477 57.737 58.200 0.023 0.000 0.965 401 S CB 1.986 65.160 63.200 -0.044 0.000 1.089 401 S HN 0.209 nan 8.310 nan 0.000 0.496 402 Q N 3.686 123.456 119.800 -0.050 0.000 2.401 402 Q HA 0.480 4.938 4.340 0.198 0.000 0.260 402 Q C -1.508 174.440 176.000 -0.087 0.000 1.034 402 Q CA -0.477 55.299 55.803 -0.046 0.000 0.737 402 Q CB 0.658 29.377 28.738 -0.031 0.000 1.227 402 Q HN 0.651 nan 8.270 nan 0.000 0.488 403 L N 4.878 126.057 121.223 -0.072 0.000 2.379 403 L HA 0.580 5.039 4.340 0.198 0.000 0.269 403 L C -2.012 174.817 176.870 -0.069 0.000 1.084 403 L CA -2.182 52.600 54.840 -0.096 0.000 0.802 403 L CB 0.838 42.854 42.059 -0.071 0.000 1.175 403 L HN 0.545 nan 8.230 nan 0.000 0.448 404 P HA 0.126 nan 4.420 nan 0.000 0.274 404 P C -0.823 176.487 177.300 0.017 0.000 1.246 404 P CA -0.532 62.545 63.100 -0.039 0.000 0.795 404 P CB 0.500 32.167 31.700 -0.054 0.000 1.006 405 A N 1.119 123.952 122.820 0.021 0.000 2.511 405 A HA 0.426 4.865 4.320 0.198 0.000 0.242 405 A C 1.431 179.044 177.584 0.049 0.000 1.069 405 A CA 0.546 52.601 52.037 0.030 0.000 0.763 405 A CB -1.547 17.467 19.000 0.023 0.000 1.001 405 A HN 0.899 nan 8.150 nan 0.000 0.498 406 G N 0.345 109.165 108.800 0.033 0.000 2.203 406 G HA2 -0.291 3.788 3.960 0.198 0.000 0.263 406 G HA3 -0.291 3.788 3.960 0.198 0.000 0.263 406 G C -0.002 174.906 174.900 0.013 0.000 1.012 406 G CA 0.868 45.974 45.100 0.010 0.000 0.749 406 G HN 1.260 nan 8.290 nan 0.000 0.512 407 Y N 1.220 121.483 120.300 -0.062 0.000 2.365 407 Y HA 0.513 5.181 4.550 0.197 0.000 0.340 407 Y C -1.990 173.849 175.900 -0.101 0.000 1.016 407 Y CA -2.314 55.744 58.100 -0.070 0.000 1.196 407 Y CB 1.455 39.873 38.460 -0.071 0.000 1.167 407 Y HN 0.043 nan 8.280 nan 0.000 0.509 408 P HA 0.080 nan 4.420 nan 0.000 0.271 408 P C -1.353 175.732 177.300 -0.358 0.000 1.226 408 P CA 0.163 63.035 63.100 -0.381 0.000 0.765 408 P CB 0.714 32.243 31.700 -0.286 0.000 0.835 409 V N 5.551 125.190 119.914 -0.458 0.000 2.409 409 V HA 0.387 4.626 4.120 0.198 0.000 0.291 409 V C -0.559 175.184 176.094 -0.585 0.000 1.020 409 V CA -0.553 61.541 62.300 -0.343 0.000 0.848 409 V CB 0.690 32.431 31.823 -0.137 0.000 0.990 409 V HN 0.385 nan 8.190 nan 0.000 0.430 410 Y N 2.263 122.593 120.300 0.050 0.000 2.509 410 Y HA 0.831 5.499 4.550 0.197 0.000 0.341 410 Y C 0.540 176.371 175.900 -0.115 0.000 1.038 410 Y CA -0.527 57.619 58.100 0.078 0.000 1.089 410 Y CB 2.357 40.953 38.460 0.227 0.000 1.241 410 Y HN 0.805 nan 8.280 nan 0.000 0.468 411 S N 0.274 115.996 115.700 0.036 0.000 2.645 411 S HA 0.383 4.972 4.470 0.198 0.000 0.268 411 S C -1.830 172.772 174.600 0.003 0.000 1.110 411 S CA -1.236 56.781 58.200 -0.305 0.000 0.823 411 S CB 1.039 64.062 63.200 -0.295 0.000 1.091 411 S HN 0.480 nan 8.310 nan 0.000 0.466 412 N N 0.952 119.641 118.700 -0.019 0.000 3.114 412 N HA 0.370 5.228 4.740 0.198 0.000 0.289 412 N C -0.112 175.394 175.510 -0.006 0.000 1.519 412 N CA -0.471 52.611 53.050 0.053 0.000 1.026 412 N CB 0.455 39.016 38.487 0.122 0.000 1.306 412 N HN 0.375 nan 8.380 nan 0.000 0.495 413 R N -0.283 120.206 120.500 -0.019 0.000 2.466 413 R HA 0.235 4.694 4.340 0.198 0.000 0.279 413 R C 1.509 177.799 176.300 -0.016 0.000 0.976 413 R CA -0.194 55.888 56.100 -0.030 0.000 1.081 413 R CB -0.079 30.195 30.300 -0.044 0.000 1.215 413 R HN 0.344 nan 8.270 nan 0.000 0.546 414 G N 0.901 109.698 108.800 -0.005 0.000 2.556 414 G HA2 -0.196 3.883 3.960 0.198 0.000 0.215 414 G HA3 -0.196 3.883 3.960 0.198 0.000 0.215 414 G C 1.148 176.042 174.900 -0.010 0.000 1.258 414 G CA 0.857 45.954 45.100 -0.005 0.000 0.811 414 G HN 0.362 nan 8.290 nan 0.000 0.557 415 A N -1.259 121.554 122.820 -0.012 0.000 2.238 415 A HA 0.492 4.931 4.320 0.198 0.000 0.210 415 A C 1.553 179.126 177.584 -0.019 0.000 1.179 415 A CA 1.277 53.303 52.037 -0.018 0.000 0.827 415 A CB -0.001 18.980 19.000 -0.031 0.000 0.856 415 A HN 0.868 nan 8.150 nan 0.000 0.488 416 S N -1.339 114.348 115.700 -0.021 0.000 3.561 416 S HA -0.147 4.441 4.470 0.198 0.000 0.318 416 S C 0.831 175.406 174.600 -0.041 0.000 1.181 416 S CA 0.384 58.566 58.200 -0.031 0.000 0.916 416 S CB -1.883 61.300 63.200 -0.029 0.000 0.966 416 S HN 1.474 nan 8.310 nan 0.000 0.550 417 G N 0.954 109.726 108.800 -0.047 0.000 2.380 417 G HA2 0.405 4.484 3.960 0.198 0.000 0.242 417 G HA3 0.405 4.484 3.960 0.198 0.000 0.242 417 G C 0.767 175.580 174.900 -0.146 0.000 1.298 417 G CA -0.133 44.912 45.100 -0.092 0.000 0.878 417 G HN 0.864 nan 8.290 nan 0.000 0.542 418 I N 0.064 120.514 120.570 -0.200 0.000 3.806 418 I HA 0.162 4.451 4.170 0.198 0.000 0.321 418 I C 1.038 176.849 176.117 -0.511 0.000 1.315 418 I CA -0.123 61.038 61.300 -0.233 0.000 1.148 418 I CB 0.250 38.187 38.000 -0.104 0.000 1.028 418 I HN 0.384 nan 8.210 nan 0.000 0.415 419 D N 1.254 121.234 120.400 -0.701 0.000 2.347 419 D HA 0.013 4.772 4.640 0.198 0.000 0.213 419 D C 1.356 177.285 176.300 -0.618 0.000 0.985 419 D CA 0.751 54.128 54.000 -1.038 0.000 0.879 419 D CB 0.213 40.547 40.800 -0.777 0.000 0.919 419 D HN 0.454 nan 8.370 nan 0.000 0.526 420 G N 0.285 108.674 108.800 -0.684 0.000 4.867 420 G HA2 0.279 4.358 3.960 0.198 0.000 0.258 420 G HA3 0.279 4.358 3.960 0.198 0.000 0.258 420 G C 0.933 175.576 174.900 -0.428 0.000 0.999 420 G CA -0.324 44.201 45.100 -0.958 0.000 0.797 420 G HN 0.127 nan 8.290 nan 0.000 0.505 421 L N -0.035 121.074 121.223 -0.191 0.000 2.049 421 L HA 0.097 4.555 4.340 0.198 0.000 0.203 421 L C 2.751 179.569 176.870 -0.088 0.000 1.074 421 L CA 0.812 55.661 54.840 0.015 0.000 0.749 421 L CB -0.343 41.789 42.059 0.121 0.000 0.907 421 L HN 0.213 nan 8.230 nan 0.000 0.439 422 L N -0.220 120.942 121.223 -0.102 0.000 1.955 422 L HA -0.201 4.258 4.340 0.198 0.000 0.213 422 L C 2.926 179.652 176.870 -0.240 0.000 1.072 422 L CA 1.863 56.608 54.840 -0.159 0.000 0.755 422 L CB -1.361 40.627 42.059 -0.118 0.000 0.888 422 L HN 0.391 nan 8.230 nan 0.000 0.432 423 S N -0.819 114.753 115.700 -0.214 0.000 2.392 423 S HA -0.222 4.367 4.470 0.198 0.000 0.232 423 S C 1.887 176.343 174.600 -0.240 0.000 1.041 423 S CA 1.996 60.053 58.200 -0.237 0.000 1.026 423 S CB -1.129 61.963 63.200 -0.181 0.000 0.845 423 S HN 0.429 nan 8.310 nan 0.000 0.465 424 T N 2.451 116.863 114.554 -0.237 0.000 2.788 424 T HA 0.123 4.592 4.350 0.198 0.000 0.268 424 T C 2.217 176.587 174.700 -0.550 0.000 1.044 424 T CA 1.287 63.217 62.100 -0.284 0.000 1.139 424 T CB -0.735 68.038 68.868 -0.158 0.000 0.867 424 T HN 0.657 nan 8.240 nan 0.000 0.454 425 A N 1.499 123.850 122.820 -0.781 0.000 1.898 425 A HA 0.230 4.668 4.320 0.198 0.000 0.216 425 A C 2.671 179.996 177.584 -0.432 0.000 1.181 425 A CA 1.693 53.218 52.037 -0.853 0.000 0.620 425 A CB -1.172 17.412 19.000 -0.695 0.000 0.819 425 A HN 0.483 nan 8.150 nan 0.000 0.442 426 A N -0.292 122.325 122.820 -0.338 0.000 1.873 426 A HA -0.008 4.431 4.320 0.198 0.000 0.218 426 A C 2.457 179.870 177.584 -0.284 0.000 1.193 426 A CA 2.296 54.178 52.037 -0.259 0.000 0.629 426 A CB -1.544 17.301 19.000 -0.258 0.000 0.826 426 A HN 0.791 nan 8.150 nan 0.000 0.447 427 G N -0.895 107.709 108.800 -0.327 0.000 2.418 427 G HA2 -0.093 3.985 3.960 0.198 0.000 0.217 427 G HA3 -0.093 3.985 3.960 0.198 0.000 0.217 427 G C 1.510 176.209 174.900 -0.335 0.000 1.158 427 G CA 1.191 46.078 45.100 -0.356 0.000 0.771 427 G HN 0.351 nan 8.290 nan 0.000 0.545 428 V N 1.547 121.260 119.914 -0.335 0.000 2.392 428 V HA -0.274 3.965 4.120 0.198 0.000 0.249 428 V C 2.902 178.840 176.094 -0.261 0.000 1.059 428 V CA 2.577 64.677 62.300 -0.333 0.000 1.051 428 V CB -0.433 31.198 31.823 -0.320 0.000 0.658 428 V HN 0.690 nan 8.190 nan 0.000 0.455 429 Q N 0.640 120.320 119.800 -0.200 0.000 2.033 429 Q HA -0.134 4.325 4.340 0.198 0.000 0.196 429 Q C 2.210 178.143 176.000 -0.112 0.000 0.970 429 Q CA 1.565 57.299 55.803 -0.115 0.000 0.828 429 Q CB -0.596 28.108 28.738 -0.056 0.000 0.895 429 Q HN 0.442 nan 8.270 nan 0.000 0.440 430 R N 0.386 120.800 120.500 -0.142 0.000 2.133 430 R HA -0.181 4.278 4.340 0.198 0.000 0.247 430 R C 2.335 178.563 176.300 -0.120 0.000 1.151 430 R CA 1.510 57.539 56.100 -0.118 0.000 0.971 430 R CB -0.725 29.467 30.300 -0.180 0.000 0.866 430 R HN 0.509 nan 8.270 nan 0.000 0.447 431 A N 0.315 123.012 122.820 -0.205 0.000 1.933 431 A HA -0.175 4.264 4.320 0.198 0.000 0.218 431 A C 2.119 179.668 177.584 -0.058 0.000 1.175 431 A CA 2.050 53.984 52.037 -0.171 0.000 0.628 431 A CB -0.206 18.654 19.000 -0.233 0.000 0.814 431 A HN 0.475 nan 8.150 nan 0.000 0.444 432 S N -3.757 111.898 115.700 -0.074 0.000 2.554 432 S HA 0.430 5.019 4.470 0.198 0.000 0.227 432 S C 1.327 175.919 174.600 -0.014 0.000 1.050 432 S CA 1.155 59.332 58.200 -0.039 0.000 0.927 432 S CB 0.159 63.323 63.200 -0.059 0.000 0.859 432 S HN 1.964 nan 8.310 nan 0.000 0.494 433 G N 1.476 110.267 108.800 -0.015 0.000 2.137 433 G HA2 -0.222 3.856 3.960 0.198 0.000 0.237 433 G HA3 -0.222 3.856 3.960 0.198 0.000 0.237 433 G C -0.210 174.697 174.900 0.011 0.000 1.002 433 G CA 0.156 45.261 45.100 0.008 0.000 0.702 433 G HN 0.584 nan 8.290 nan 0.000 0.515 434 K N 0.622 121.022 120.400 0.002 0.000 2.110 434 K HA 0.476 4.914 4.320 0.198 0.000 0.263 434 K C -2.403 174.218 176.600 0.035 0.000 0.975 434 K CA -2.142 54.147 56.287 0.003 0.000 0.895 434 K CB 1.337 33.828 32.500 -0.015 0.000 1.060 434 K HN -0.025 nan 8.250 nan 0.000 0.448 435 P HA -0.005 nan 4.420 nan 0.000 0.265 435 P C -1.054 176.311 177.300 0.109 0.000 1.193 435 P CA 0.168 63.317 63.100 0.082 0.000 0.765 435 P CB 0.619 32.258 31.700 -0.102 0.000 0.823 436 T N 3.418 118.156 114.554 0.306 0.000 2.912 436 T HA 0.459 4.928 4.350 0.198 0.000 0.299 436 T C -1.114 173.857 174.700 0.451 0.000 1.052 436 T CA -0.365 61.913 62.100 0.297 0.000 0.996 436 T CB 0.939 69.916 68.868 0.183 0.000 1.070 436 T HN 0.099 nan 8.240 nan 0.000 0.465 437 L N 3.460 124.929 121.223 0.411 0.000 2.324 437 L HA 0.805 5.264 4.340 0.198 0.000 0.274 437 L C -0.444 176.620 176.870 0.322 0.000 1.012 437 L CA -0.628 54.459 54.840 0.410 0.000 0.859 437 L CB 0.215 42.523 42.059 0.415 0.000 1.224 437 L HN 0.815 nan 8.230 nan 0.000 0.429 438 A N 6.489 129.475 122.820 0.277 0.000 2.288 438 A HA 0.829 5.268 4.320 0.198 0.000 0.320 438 A C -0.656 177.055 177.584 0.212 0.000 1.217 438 A CA -0.444 51.776 52.037 0.304 0.000 0.840 438 A CB 0.431 19.591 19.000 0.267 0.000 1.179 438 A HN 0.649 nan 8.150 nan 0.000 0.504 439 I N 1.923 122.602 120.570 0.183 0.000 2.474 439 I HA 0.688 4.977 4.170 0.198 0.000 0.294 439 I C -0.778 175.380 176.117 0.068 0.000 1.005 439 I CA -1.014 60.350 61.300 0.106 0.000 1.113 439 I CB 2.056 40.111 38.000 0.092 0.000 1.289 439 I HN 0.327 nan 8.210 nan 0.000 0.436 440 V N 3.340 123.273 119.914 0.032 0.000 2.950 440 V HA 0.515 4.754 4.120 0.198 0.000 0.295 440 V C 0.068 176.151 176.094 -0.018 0.000 1.297 440 V CA -0.493 61.816 62.300 0.015 0.000 0.962 440 V CB 2.290 34.131 31.823 0.031 0.000 1.081 440 V HN 0.928 nan 8.190 nan 0.000 0.432 441 G N 2.070 110.868 108.800 -0.003 0.000 2.507 441 G HA2 0.366 4.445 3.960 0.198 0.000 0.271 441 G HA3 0.366 4.445 3.960 0.198 0.000 0.271 441 G C 0.852 175.777 174.900 0.042 0.000 1.189 441 G CA 0.417 45.523 45.100 0.011 0.000 0.859 441 G HN 0.871 nan 8.290 nan 0.000 0.542 442 D N 0.587 121.045 120.400 0.096 0.000 2.106 442 D HA -0.217 4.542 4.640 0.198 0.000 0.191 442 D C 2.270 178.741 176.300 0.286 0.000 0.997 442 D CA 1.133 55.282 54.000 0.248 0.000 0.834 442 D CB -0.322 40.644 40.800 0.277 0.000 0.956 442 D HN 0.365 nan 8.370 nan 0.000 0.448 443 L N 0.560 121.898 121.223 0.193 0.000 2.127 443 L HA -0.133 4.326 4.340 0.198 0.000 0.211 443 L C 2.841 179.844 176.870 0.222 0.000 1.089 443 L CA 1.091 56.048 54.840 0.195 0.000 0.757 443 L CB -0.415 41.750 42.059 0.177 0.000 0.899 443 L HN 0.033 nan 8.230 nan 0.000 0.434 444 S N -0.185 115.615 115.700 0.166 0.000 2.402 444 S HA -0.082 4.507 4.470 0.198 0.000 0.229 444 S C 2.115 176.798 174.600 0.138 0.000 1.021 444 S CA 1.098 59.377 58.200 0.132 0.000 0.974 444 S CB -0.083 63.150 63.200 0.055 0.000 0.800 444 S HN 0.505 nan 8.310 nan 0.000 0.484 445 A N 0.806 123.705 122.820 0.132 0.000 2.016 445 A HA 0.197 4.636 4.320 0.198 0.000 0.217 445 A C 1.978 179.743 177.584 0.301 0.000 1.162 445 A CA 0.618 52.730 52.037 0.125 0.000 0.662 445 A CB -0.402 18.509 19.000 -0.148 0.000 0.812 445 A HN 0.429 nan 8.150 nan 0.000 0.450 446 L N -2.342 119.085 121.223 0.339 0.000 2.109 446 L HA -0.128 4.331 4.340 0.198 0.000 0.207 446 L C 2.439 179.417 176.870 0.181 0.000 1.086 446 L CA 1.141 56.125 54.840 0.241 0.000 0.760 446 L CB -0.541 41.606 42.059 0.147 0.000 0.910 446 L HN 0.457 nan 8.230 nan 0.000 0.437 447 Y N 0.105 120.461 120.300 0.093 0.000 2.207 447 Y HA -0.280 4.346 4.550 0.127 0.000 0.287 447 Y C 1.963 177.891 175.900 0.047 0.000 1.156 447 Y CA 1.665 59.801 58.100 0.060 0.000 1.182 447 Y CB 0.030 38.513 38.460 0.039 0.000 0.979 447 Y HN 0.147 nan 8.280 nan 0.000 0.521 448 D N -1.087 119.454 120.400 0.235 0.000 2.538 448 D HA 0.017 4.776 4.640 0.198 0.000 0.231 448 D C 1.704 178.057 176.300 0.088 0.000 1.229 448 D CA -0.026 54.053 54.000 0.131 0.000 0.828 448 D CB -0.201 40.615 40.800 0.026 0.000 1.035 448 D HN 0.289 nan 8.370 nan 0.000 0.495 449 L N 1.697 122.995 121.223 0.125 0.000 2.051 449 L HA -0.254 4.205 4.340 0.198 0.000 0.214 449 L C 1.715 178.594 176.870 0.014 0.000 1.076 449 L CA 1.984 56.886 54.840 0.105 0.000 0.758 449 L CB -0.608 41.550 42.059 0.164 0.000 0.890 449 L HN 0.129 nan 8.230 nan 0.000 0.433 450 N N 0.089 118.861 118.700 0.121 0.000 2.519 450 N HA -0.122 4.737 4.740 0.198 0.000 0.186 450 N C 1.526 177.071 175.510 0.058 0.000 1.062 450 N CA 1.289 54.467 53.050 0.214 0.000 0.910 450 N CB -0.736 38.067 38.487 0.527 0.000 0.958 450 N HN 0.410 nan 8.380 nan 0.000 0.445 451 A N 0.567 123.353 122.820 -0.057 0.000 2.168 451 A HA 0.114 4.553 4.320 0.198 0.000 0.215 451 A C 2.161 179.575 177.584 -0.282 0.000 1.152 451 A CA 0.320 52.235 52.037 -0.203 0.000 0.716 451 A CB -0.700 18.187 19.000 -0.189 0.000 0.794 451 A HN 0.344 nan 8.150 nan 0.000 0.465 452 L N -0.856 120.128 121.223 -0.399 0.000 2.129 452 L HA -0.291 4.168 4.340 0.198 0.000 0.212 452 L C 3.047 179.602 176.870 -0.525 0.000 1.087 452 L CA 1.114 55.620 54.840 -0.557 0.000 0.757 452 L CB -0.668 40.870 42.059 -0.869 0.000 0.896 452 L HN 0.464 nan 8.230 nan 0.000 0.434 453 A N 0.181 122.706 122.820 -0.492 0.000 1.908 453 A HA -0.200 4.239 4.320 0.198 0.000 0.218 453 A C 2.236 179.861 177.584 0.067 0.000 1.181 453 A CA 1.652 53.773 52.037 0.139 0.000 0.627 453 A CB -0.680 18.634 19.000 0.524 0.000 0.818 453 A HN 0.406 nan 8.150 nan 0.000 0.445 454 L N -1.052 120.099 121.223 -0.119 0.000 2.291 454 L HA 0.026 4.484 4.340 0.198 0.000 0.214 454 L C 1.441 178.250 176.870 -0.100 0.000 1.120 454 L CA 0.429 55.171 54.840 -0.164 0.000 0.799 454 L CB -0.126 41.703 42.059 -0.383 0.000 0.925 454 L HN 0.323 nan 8.230 nan 0.000 0.446 455 L N -0.780 120.386 121.223 -0.096 0.000 2.685 455 L HA 0.084 4.543 4.340 0.198 0.000 0.233 455 L C 1.712 178.583 176.870 0.001 0.000 1.173 455 L CA 0.024 54.825 54.840 -0.064 0.000 0.961 455 L CB -0.122 41.883 42.059 -0.089 0.000 1.217 455 L HN 0.119 nan 8.230 nan 0.000 0.478 456 R N -0.595 119.930 120.500 0.041 0.000 2.280 456 R HA 0.103 4.562 4.340 0.198 0.000 0.195 456 R C 0.221 176.562 176.300 0.069 0.000 0.935 456 R CA 0.378 56.528 56.100 0.083 0.000 1.033 456 R CB 0.283 30.667 30.300 0.139 0.000 0.964 456 R HN 0.322 nan 8.270 nan 0.000 0.489 457 Q N 1.418 121.249 119.800 0.050 0.000 2.456 457 Q HA 0.291 4.749 4.340 0.198 0.000 0.252 457 Q C -1.238 174.782 176.000 0.034 0.000 1.042 457 Q CA -0.490 55.344 55.803 0.053 0.000 0.766 457 Q CB 2.017 30.796 28.738 0.070 0.000 1.196 457 Q HN -0.006 nan 8.270 nan 0.000 0.504 458 V N -1.093 118.845 119.914 0.040 0.000 2.656 458 V HA 0.385 4.624 4.120 0.198 0.000 0.307 458 V C 1.005 177.130 176.094 0.051 0.000 1.051 458 V CA -0.715 61.606 62.300 0.035 0.000 0.893 458 V CB 1.708 33.551 31.823 0.034 0.000 0.999 458 V HN 0.670 nan 8.190 nan 0.000 0.426 459 S N 1.798 117.528 115.700 0.049 0.000 2.489 459 S HA 0.497 5.086 4.470 0.198 0.000 0.228 459 S C 0.731 175.370 174.600 0.064 0.000 0.995 459 S CA 0.519 58.753 58.200 0.055 0.000 0.934 459 S CB -0.027 63.203 63.200 0.051 0.000 0.771 459 S HN 1.977 nan 8.310 nan 0.000 0.522 460 A N 1.218 124.083 122.820 0.076 0.000 2.574 460 A HA 0.724 5.163 4.320 0.198 0.000 0.297 460 A C -3.280 174.398 177.584 0.156 0.000 1.062 460 A CA -1.987 50.112 52.037 0.104 0.000 0.686 460 A CB 0.718 19.769 19.000 0.086 0.000 1.285 460 A HN 0.116 nan 8.150 nan 0.000 0.403 461 P HA 0.309 nan 4.420 nan 0.000 0.265 461 P C -0.733 176.791 177.300 0.372 0.000 1.187 461 P CA 0.281 63.560 63.100 0.298 0.000 0.766 461 P CB 0.447 32.438 31.700 0.485 0.000 0.820 462 L N 3.252 124.611 121.223 0.227 0.000 2.438 462 L HA 0.499 4.958 4.340 0.198 0.000 0.270 462 L C -1.221 175.692 176.870 0.072 0.000 0.972 462 L CA -0.992 53.979 54.840 0.219 0.000 0.831 462 L CB 1.983 44.117 42.059 0.124 0.000 1.273 462 L HN 0.002 nan 8.230 nan 0.000 0.405 463 V N 5.226 125.178 119.914 0.062 0.000 2.427 463 V HA 0.389 4.628 4.120 0.198 0.000 0.286 463 V C -0.398 175.731 176.094 0.058 0.000 1.034 463 V CA -0.567 61.703 62.300 -0.051 0.000 0.893 463 V CB 1.676 33.403 31.823 -0.160 0.000 0.982 463 V HN 0.540 nan 8.190 nan 0.000 0.452 464 L N 6.818 128.048 121.223 0.010 0.000 2.294 464 L HA 0.561 5.020 4.340 0.198 0.000 0.283 464 L C -0.329 176.535 176.870 -0.011 0.000 1.015 464 L CA 0.040 54.889 54.840 0.015 0.000 0.831 464 L CB 0.842 42.890 42.059 -0.020 0.000 1.217 464 L HN 0.497 nan 8.230 nan 0.000 0.420 465 I N 5.917 126.503 120.570 0.026 0.000 2.352 465 I HA 0.246 4.535 4.170 0.198 0.000 0.290 465 I C -0.433 175.653 176.117 -0.052 0.000 1.036 465 I CA -0.625 60.670 61.300 -0.008 0.000 1.336 465 I CB 1.222 39.257 38.000 0.058 0.000 1.407 465 I HN 0.244 nan 8.210 nan 0.000 0.497 466 V N 7.678 127.524 119.914 -0.114 0.000 2.350 466 V HA 0.227 4.465 4.120 0.198 0.000 0.276 466 V C 0.170 176.210 176.094 -0.090 0.000 1.028 466 V CA -0.700 61.488 62.300 -0.187 0.000 0.860 466 V CB 1.415 32.946 31.823 -0.487 0.000 0.990 466 V HN 0.379 nan 8.190 nan 0.000 0.453 467 V N 4.631 124.516 119.914 -0.049 0.000 2.348 467 V HA 0.323 4.561 4.120 0.198 0.000 0.270 467 V C 0.268 176.383 176.094 0.034 0.000 1.037 467 V CA -0.317 61.977 62.300 -0.009 0.000 0.872 467 V CB 1.149 32.965 31.823 -0.012 0.000 1.002 467 V HN 0.862 nan 8.190 nan 0.000 0.464 468 N N 4.620 123.366 118.700 0.077 0.000 2.707 468 N HA 0.194 5.052 4.740 0.198 0.000 0.235 468 N C 0.269 175.833 175.510 0.090 0.000 1.028 468 N CA -0.558 52.572 53.050 0.133 0.000 0.906 468 N CB 0.707 39.333 38.487 0.231 0.000 1.131 468 N HN 0.696 nan 8.380 nan 0.000 0.509 469 N N 2.173 120.913 118.700 0.067 0.000 2.376 469 N HA 0.082 4.941 4.740 0.198 0.000 0.249 469 N C -0.276 175.265 175.510 0.051 0.000 1.140 469 N CA -0.453 52.627 53.050 0.051 0.000 0.870 469 N CB -0.428 38.081 38.487 0.036 0.000 1.124 469 N HN 0.308 nan 8.380 nan 0.000 0.505 470 N N 0.272 119.001 118.700 0.049 0.000 2.678 470 N HA -0.165 4.694 4.740 0.198 0.000 0.268 470 N C 0.064 175.604 175.510 0.049 0.000 1.010 470 N CA 1.496 54.564 53.050 0.030 0.000 0.784 470 N CB -1.204 37.288 38.487 0.008 0.000 0.905 470 N HN 0.915 nan 8.380 nan 0.000 0.552 471 G N -1.388 107.455 108.800 0.071 0.000 2.359 471 G HA2 0.380 4.459 3.960 0.198 0.000 0.303 471 G HA3 0.380 4.459 3.960 0.198 0.000 0.303 471 G C 0.081 175.045 174.900 0.107 0.000 1.293 471 G CA -0.070 45.088 45.100 0.096 0.000 0.964 471 G HN 0.814 nan 8.290 nan 0.000 0.531 472 G N -0.140 108.755 108.800 0.159 0.000 3.343 472 G HA2 0.427 4.506 3.960 0.198 0.000 0.264 472 G HA3 0.427 4.506 3.960 0.198 0.000 0.264 472 G C 0.857 175.789 174.900 0.053 0.000 0.884 472 G CA 0.042 45.217 45.100 0.125 0.000 1.916 472 G HN 0.485 nan 8.290 nan 0.000 0.618 473 Q N 0.604 120.417 119.800 0.022 0.000 2.561 473 Q HA -0.114 4.345 4.340 0.198 0.000 0.217 473 Q C 2.116 178.084 176.000 -0.054 0.000 0.980 473 Q CA 0.189 56.002 55.803 0.016 0.000 0.927 473 Q CB -0.041 28.708 28.738 0.018 0.000 0.980 473 Q HN 0.726 nan 8.270 nan 0.000 0.525 474 I N -0.661 119.787 120.570 -0.204 0.000 2.614 474 I HA -0.187 4.101 4.170 0.198 0.000 0.258 474 I C 0.980 176.945 176.117 -0.254 0.000 1.189 474 I CA 1.016 62.137 61.300 -0.297 0.000 1.462 474 I CB -0.136 37.588 38.000 -0.460 0.000 1.092 474 I HN -0.077 nan 8.210 nan 0.000 0.442 475 F N -0.165 119.812 119.950 0.045 0.000 2.789 475 F HA 0.134 4.777 4.527 0.192 0.000 0.300 475 F C 2.427 178.214 175.800 -0.022 0.000 1.132 475 F CA 0.468 58.484 58.000 0.026 0.000 1.404 475 F CB -0.945 38.121 39.000 0.111 0.000 1.114 475 F HN 0.003 nan 8.300 nan 0.000 0.584 476 S N -0.145 115.629 115.700 0.123 0.000 2.478 476 S HA -0.005 4.584 4.470 0.198 0.000 0.222 476 S C 1.946 176.564 174.600 0.029 0.000 1.008 476 S CA 0.146 58.382 58.200 0.061 0.000 0.928 476 S CB -0.151 63.079 63.200 0.050 0.000 0.781 476 S HN 0.289 nan 8.310 nan 0.000 0.518 477 L N 1.672 122.901 121.223 0.011 0.000 2.044 477 L HA 0.211 4.670 4.340 0.198 0.000 0.205 477 L C 0.381 177.257 176.870 0.010 0.000 1.075 477 L CA 1.297 56.136 54.840 -0.003 0.000 0.747 477 L CB -0.378 41.664 42.059 -0.028 0.000 0.903 477 L HN 0.198 nan 8.230 nan 0.000 0.435 478 L N 1.240 122.483 121.223 0.033 0.000 2.452 478 L HA 0.197 4.656 4.340 0.198 0.000 0.267 478 L C -1.516 175.367 176.870 0.022 0.000 1.188 478 L CA -1.418 53.450 54.840 0.047 0.000 0.821 478 L CB -0.182 41.943 42.059 0.111 0.000 1.102 478 L HN 0.059 nan 8.230 nan 0.000 0.470 479 P HA 0.013 nan 4.420 nan 0.000 0.246 479 P C 0.165 177.431 177.300 -0.057 0.000 1.686 479 P CA -0.244 62.845 63.100 -0.017 0.000 0.867 479 P CB -0.909 30.787 31.700 -0.007 0.000 1.733 480 T N -1.028 113.463 114.554 -0.105 0.000 2.855 480 T HA 0.172 4.641 4.350 0.198 0.000 0.314 480 T C -2.067 172.504 174.700 -0.215 0.000 1.077 480 T CA -1.326 60.613 62.100 -0.267 0.000 1.095 480 T CB -0.543 67.974 68.868 -0.585 0.000 0.987 480 T HN 0.075 nan 8.240 nan 0.000 0.546 481 P HA 0.182 nan 4.420 nan 0.000 0.281 481 P C 0.764 178.028 177.300 -0.060 0.000 1.286 481 P CA -0.317 62.724 63.100 -0.098 0.000 0.772 481 P CB 0.843 32.514 31.700 -0.048 0.000 0.862 482 Q N 1.393 121.176 119.800 -0.027 0.000 2.197 482 Q HA -0.175 4.284 4.340 0.198 0.000 0.207 482 Q C 1.947 177.968 176.000 0.035 0.000 0.984 482 Q CA 1.755 57.558 55.803 0.001 0.000 0.869 482 Q CB -0.389 28.352 28.738 0.006 0.000 0.906 482 Q HN 0.500 nan 8.270 nan 0.000 0.426 483 S N 0.776 116.503 115.700 0.046 0.000 2.368 483 S HA -0.134 4.455 4.470 0.198 0.000 0.225 483 S C 1.564 176.242 174.600 0.130 0.000 1.030 483 S CA 1.456 59.700 58.200 0.073 0.000 0.999 483 S CB 0.120 63.357 63.200 0.062 0.000 0.844 483 S HN 0.490 nan 8.310 nan 0.000 0.459 484 E N 0.192 120.506 120.200 0.189 0.000 2.562 484 E HA 0.140 4.609 4.350 0.198 0.000 0.214 484 E C 1.712 178.588 176.600 0.460 0.000 0.979 484 E CA -0.135 56.489 56.400 0.375 0.000 1.002 484 E CB -0.409 29.539 29.700 0.413 0.000 1.048 484 E HN 0.455 nan 8.360 nan 0.000 0.488 485 R N 2.396 123.060 120.500 0.272 0.000 2.136 485 R HA -0.264 4.195 4.340 0.198 0.000 0.242 485 R C 2.215 178.674 176.300 0.266 0.000 1.131 485 R CA 2.473 58.708 56.100 0.226 0.000 0.937 485 R CB -0.335 29.987 30.300 0.037 0.000 0.863 485 R HN 0.263 nan 8.270 nan 0.000 0.435 486 E N -0.132 120.157 120.200 0.149 0.000 2.058 486 E HA -0.270 4.198 4.350 0.198 0.000 0.194 486 E C 2.039 178.649 176.600 0.017 0.000 0.997 486 E CA 1.807 58.257 56.400 0.082 0.000 0.801 486 E CB -0.117 29.607 29.700 0.040 0.000 0.746 486 E HN 0.561 nan 8.360 nan 0.000 0.450 487 R N -1.168 119.278 120.500 -0.090 0.000 2.254 487 R HA 0.030 4.488 4.340 0.198 0.000 0.195 487 R C 0.811 176.822 176.300 -0.480 0.000 0.957 487 R CA 0.569 56.467 56.100 -0.338 0.000 1.024 487 R CB 0.079 30.054 30.300 -0.543 0.000 0.952 487 R HN 0.132 nan 8.270 nan 0.000 0.484 488 F N -1.157 118.776 119.950 -0.029 0.000 2.682 488 F HA 0.383 5.026 4.527 0.195 0.000 0.308 488 F C 0.235 175.698 175.800 -0.562 0.000 1.093 488 F CA -0.341 57.506 58.000 -0.255 0.000 1.244 488 F CB 0.612 39.427 39.000 -0.309 0.000 1.052 488 F HN -0.099 nan 8.300 nan 0.000 0.573 489 Y N -2.044 118.249 120.300 -0.011 0.000 3.324 489 Y HA 0.192 4.862 4.550 0.200 0.000 0.187 489 Y C 1.760 177.701 175.900 0.068 0.000 0.920 489 Y CA -0.334 57.646 58.100 -0.200 0.000 1.710 489 Y CB -0.063 38.252 38.460 -0.242 0.000 1.461 489 Y HN -0.312 nan 8.280 nan 0.000 0.360 490 L N 0.983 122.408 121.223 0.337 0.000 2.201 490 L HA -0.117 4.342 4.340 0.198 0.000 0.212 490 L C 0.409 177.396 176.870 0.196 0.000 1.105 490 L CA 0.759 55.782 54.840 0.306 0.000 0.775 490 L CB -0.738 41.443 42.059 0.203 0.000 0.913 490 L HN 0.365 nan 8.230 nan 0.000 0.440 491 M N 0.737 120.404 119.600 0.111 0.000 2.592 491 M HA -0.139 4.459 4.480 0.198 0.000 0.174 491 M C -2.126 174.199 176.300 0.041 0.000 1.069 491 M CA -0.250 55.074 55.300 0.039 0.000 0.619 491 M CB -1.856 30.760 32.600 0.028 0.000 1.146 491 M HN 0.017 nan 8.290 nan 0.000 0.822 492 P HA -0.001 nan 4.420 nan 0.000 0.267 492 P C 0.099 177.392 177.300 -0.013 0.000 1.205 492 P CA 0.333 63.444 63.100 0.018 0.000 0.765 492 P CB 0.761 32.468 31.700 0.011 0.000 0.828 493 Q N 1.396 121.183 119.800 -0.022 0.000 2.352 493 Q HA 0.063 4.522 4.340 0.198 0.000 0.212 493 Q C -0.039 175.912 176.000 -0.082 0.000 0.888 493 Q CA 0.056 55.829 55.803 -0.050 0.000 0.934 493 Q CB -0.107 28.602 28.738 -0.047 0.000 1.093 493 Q HN 0.487 nan 8.270 nan 0.000 0.523 494 N N 0.245 118.890 118.700 -0.090 0.000 2.708 494 N HA -0.156 4.703 4.740 0.198 0.000 0.255 494 N C -1.005 174.400 175.510 -0.175 0.000 1.046 494 N CA 0.486 53.466 53.050 -0.118 0.000 0.715 494 N CB -1.345 37.097 38.487 -0.075 0.000 0.895 494 N HN 0.066 nan 8.380 nan 0.000 0.545 495 V N 0.225 119.974 119.914 -0.275 0.000 3.188 495 V HA 0.525 4.764 4.120 0.198 0.000 0.305 495 V C -0.724 175.079 176.094 -0.484 0.000 1.232 495 V CA -0.713 61.399 62.300 -0.315 0.000 1.043 495 V CB 2.650 34.297 31.823 -0.294 0.000 1.068 495 V HN 0.431 nan 8.190 nan 0.000 0.439 496 H N 2.303 121.239 119.070 -0.224 0.000 2.869 496 H HA 0.523 5.198 4.556 0.198 0.000 0.342 496 H C -0.908 174.213 175.328 -0.346 0.000 1.250 496 H CA -0.331 55.641 56.048 -0.126 0.000 1.217 496 H CB 1.863 31.649 29.762 0.041 0.000 1.917 496 H HN 0.581 nan 8.280 nan 0.000 0.586 497 F N -0.602 119.447 119.950 0.165 0.000 2.688 497 F HA 0.145 4.787 4.527 0.192 0.000 0.310 497 F C 2.010 177.598 175.800 -0.353 0.000 1.098 497 F CA -0.166 57.844 58.000 0.016 0.000 1.228 497 F CB 0.320 39.389 39.000 0.114 0.000 1.042 497 F HN 0.541 nan 8.300 nan 0.000 0.557 498 E N 0.412 120.242 120.200 -0.617 0.000 2.065 498 E HA -0.264 4.205 4.350 0.198 0.000 0.201 498 E C 1.979 178.210 176.600 -0.615 0.000 1.016 498 E CA 2.140 57.779 56.400 -1.269 0.000 0.818 498 E CB -0.083 29.097 29.700 -0.867 0.000 0.749 498 E HN 0.435 nan 8.360 nan 0.000 0.453 499 H N -0.793 118.132 119.070 -0.243 0.000 2.357 499 H HA -0.021 4.653 4.556 0.197 0.000 0.301 499 H C 2.071 177.383 175.328 -0.026 0.000 1.082 499 H CA 1.198 57.175 56.048 -0.117 0.000 1.342 499 H CB -0.327 29.384 29.762 -0.085 0.000 1.389 499 H HN 0.346 nan 8.280 nan 0.000 0.511 500 A N 1.505 124.416 122.820 0.152 0.000 1.883 500 A HA -0.167 4.271 4.320 0.198 0.000 0.217 500 A C 2.728 180.492 177.584 0.300 0.000 1.186 500 A CA 1.953 54.147 52.037 0.262 0.000 0.624 500 A CB -0.902 18.275 19.000 0.295 0.000 0.822 500 A HN 0.442 nan 8.150 nan 0.000 0.444 501 A N -0.190 122.722 122.820 0.153 0.000 1.883 501 A HA 0.109 4.548 4.320 0.198 0.000 0.217 501 A C 2.540 180.192 177.584 0.114 0.000 1.186 501 A CA 2.348 54.466 52.037 0.135 0.000 0.624 501 A CB -1.126 17.916 19.000 0.071 0.000 0.822 501 A HN 1.160 nan 8.150 nan 0.000 0.444 502 A N -0.705 122.125 122.820 0.017 0.000 1.908 502 A HA -0.192 4.247 4.320 0.198 0.000 0.218 502 A C 2.282 179.882 177.584 0.026 0.000 1.181 502 A CA 2.006 54.045 52.037 0.003 0.000 0.627 502 A CB -0.578 18.392 19.000 -0.050 0.000 0.818 502 A HN 0.634 nan 8.150 nan 0.000 0.445 503 M N -1.697 117.927 119.600 0.040 0.000 2.149 503 M HA -0.129 4.470 4.480 0.198 0.000 0.261 503 M C 0.541 176.649 176.300 -0.321 0.000 1.064 503 M CA 1.753 56.963 55.300 -0.149 0.000 1.102 503 M CB -0.107 32.373 32.600 -0.201 0.000 1.369 503 M HN 0.396 nan 8.290 nan 0.000 0.408 504 F N 0.417 120.398 119.950 0.051 0.000 2.647 504 F HA 0.253 4.899 4.527 0.199 0.000 0.300 504 F C 0.307 176.135 175.800 0.046 0.000 1.106 504 F CA -0.253 57.783 58.000 0.061 0.000 1.313 504 F CB 0.014 39.063 39.000 0.082 0.000 1.007 504 F HN 0.174 nan 8.300 nan 0.000 0.536 505 E N 0.899 121.175 120.200 0.127 0.000 2.476 505 E HA -0.223 4.245 4.350 0.198 0.000 0.251 505 E C -0.584 176.072 176.600 0.093 0.000 1.130 505 E CA 0.130 56.579 56.400 0.082 0.000 0.736 505 E CB -1.624 28.114 29.700 0.063 0.000 1.298 505 E HN 0.420 nan 8.360 nan 0.000 0.400 506 L N 0.806 122.097 121.223 0.114 0.000 2.282 506 L HA 0.331 4.790 4.340 0.198 0.000 0.288 506 L C 0.586 177.491 176.870 0.058 0.000 1.033 506 L CA -0.907 53.987 54.840 0.089 0.000 0.807 506 L CB 0.983 43.106 42.059 0.108 0.000 1.209 506 L HN -0.111 nan 8.230 nan 0.000 0.423 507 K N 2.241 122.654 120.400 0.020 0.000 2.524 507 K HA -0.017 4.422 4.320 0.198 0.000 0.279 507 K C -0.922 175.636 176.600 -0.070 0.000 0.993 507 K CA 0.734 56.994 56.287 -0.045 0.000 1.030 507 K CB 0.077 32.544 32.500 -0.054 0.000 0.891 507 K HN 0.275 nan 8.250 nan 0.000 0.488 508 Y N 3.400 123.489 120.300 -0.352 0.000 2.446 508 Y HA 0.373 5.042 4.550 0.197 0.000 0.345 508 Y C -0.770 174.700 175.900 -0.716 0.000 0.984 508 Y CA -0.685 57.195 58.100 -0.366 0.000 1.058 508 Y CB 1.228 39.575 38.460 -0.189 0.000 1.220 508 Y HN 0.611 nan 8.280 nan 0.000 0.455 509 H N 5.019 123.604 119.070 -0.809 0.000 2.865 509 H HA 0.380 5.055 4.556 0.198 0.000 0.362 509 H C -1.035 173.742 175.328 -0.919 0.000 1.114 509 H CA -0.942 54.660 56.048 -0.744 0.000 1.208 509 H CB 2.206 31.721 29.762 -0.411 0.000 1.727 509 H HN 0.622 nan 8.280 nan 0.000 0.534 510 R N 3.352 123.555 120.500 -0.495 0.000 2.790 510 R HA 0.226 4.685 4.340 0.198 0.000 0.274 510 R C -2.479 173.731 176.300 -0.149 0.000 1.334 510 R CA -1.588 54.356 56.100 -0.261 0.000 1.543 510 R CB 0.275 30.506 30.300 -0.115 0.000 1.154 510 R HN 0.375 nan 8.270 nan 0.000 0.601 511 P HA -0.016 nan 4.420 nan 0.000 0.268 511 P C -0.439 176.742 177.300 -0.199 0.000 1.205 511 P CA 0.182 63.182 63.100 -0.167 0.000 0.771 511 P CB 1.083 32.694 31.700 -0.149 0.000 0.858 512 Q N 1.197 120.766 119.800 -0.385 0.000 2.392 512 Q HA 0.068 4.527 4.340 0.198 0.000 0.219 512 Q C 0.318 175.539 176.000 -1.298 0.000 0.895 512 Q CA 0.384 55.852 55.803 -0.559 0.000 0.929 512 Q CB 0.098 28.636 28.738 -0.332 0.000 1.077 512 Q HN 0.622 nan 8.270 nan 0.000 0.532 513 N N -1.918 116.047 118.700 -1.224 0.000 3.157 513 N HA 0.110 4.968 4.740 0.198 0.000 0.291 513 N C -0.521 174.548 175.510 -0.734 0.000 1.515 513 N CA -0.871 51.358 53.050 -1.369 0.000 0.807 513 N CB -0.349 37.778 38.487 -0.600 0.000 1.672 513 N HN -0.051 nan 8.380 nan 0.000 0.592 514 W N -0.635 120.622 121.300 -0.071 0.000 2.374 514 W HA 0.023 4.801 4.660 0.197 0.000 0.288 514 W C 2.244 178.796 176.519 0.055 0.000 1.218 514 W CA 0.469 57.917 57.345 0.171 0.000 1.245 514 W CB 0.022 29.616 29.460 0.223 0.000 1.126 514 W HN 0.565 nan 8.180 nan 0.000 0.545 515 Q N 1.093 120.996 119.800 0.171 0.000 2.020 515 Q HA -0.219 4.239 4.340 0.198 0.000 0.202 515 Q C 1.856 177.858 176.000 0.003 0.000 0.982 515 Q CA 1.801 57.656 55.803 0.086 0.000 0.838 515 Q CB -0.294 28.464 28.738 0.034 0.000 0.899 515 Q HN 0.429 nan 8.270 nan 0.000 0.423 516 E N 0.306 120.455 120.200 -0.086 0.000 2.110 516 E HA -0.191 4.278 4.350 0.198 0.000 0.193 516 E C 2.117 178.606 176.600 -0.185 0.000 0.988 516 E CA 0.824 57.132 56.400 -0.152 0.000 0.804 516 E CB -0.103 29.476 29.700 -0.202 0.000 0.745 516 E HN 0.181 nan 8.360 nan 0.000 0.458 517 L N 1.704 122.851 121.223 -0.127 0.000 1.994 517 L HA -0.218 4.241 4.340 0.198 0.000 0.208 517 L C 1.942 178.620 176.870 -0.321 0.000 1.071 517 L CA 1.891 56.593 54.840 -0.231 0.000 0.745 517 L CB -0.177 41.873 42.059 -0.015 0.000 0.892 517 L HN 0.022 nan 8.230 nan 0.000 0.431 518 E N -1.262 118.922 120.200 -0.027 0.000 2.110 518 E HA -0.193 4.276 4.350 0.198 0.000 0.193 518 E C 1.920 178.547 176.600 0.045 0.000 0.988 518 E CA 1.564 58.037 56.400 0.120 0.000 0.804 518 E CB -0.361 29.451 29.700 0.188 0.000 0.745 518 E HN 0.554 nan 8.360 nan 0.000 0.458 519 T N 1.370 115.898 114.554 -0.044 0.000 2.597 519 T HA -0.283 4.186 4.350 0.198 0.000 0.267 519 T C 2.094 176.671 174.700 -0.205 0.000 1.053 519 T CA 1.765 63.806 62.100 -0.099 0.000 1.165 519 T CB -0.446 68.344 68.868 -0.131 0.000 0.863 519 T HN 0.330 nan 8.240 nan 0.000 0.427 520 A N 0.733 123.322 122.820 -0.386 0.000 1.940 520 A HA -0.062 4.377 4.320 0.198 0.000 0.219 520 A C 2.021 179.376 177.584 -0.382 0.000 1.176 520 A CA 1.500 53.187 52.037 -0.584 0.000 0.631 520 A CB -1.015 17.535 19.000 -0.751 0.000 0.814 520 A HN 0.430 nan 8.150 nan 0.000 0.446 521 F N 0.141 119.914 119.950 -0.295 0.000 2.134 521 F HA -0.110 4.535 4.527 0.197 0.000 0.299 521 F C 2.748 178.367 175.800 -0.301 0.000 1.097 521 F CA 0.600 58.401 58.000 -0.331 0.000 1.264 521 F CB -0.928 37.970 39.000 -0.169 0.000 1.001 521 F HN 0.280 nan 8.300 nan 0.000 0.479 522 A N 0.096 122.969 122.820 0.090 0.000 1.828 522 A HA -0.248 4.191 4.320 0.198 0.000 0.215 522 A C 2.247 179.865 177.584 0.057 0.000 1.203 522 A CA 1.849 53.963 52.037 0.129 0.000 0.614 522 A CB -1.340 17.726 19.000 0.109 0.000 0.844 522 A HN 0.445 nan 8.150 nan 0.000 0.445 523 D N 0.412 120.805 120.400 -0.010 0.000 2.228 523 D HA -0.150 4.608 4.640 0.198 0.000 0.203 523 D C 1.874 178.165 176.300 -0.015 0.000 0.988 523 D CA 1.573 55.572 54.000 -0.001 0.000 0.864 523 D CB -0.159 40.632 40.800 -0.015 0.000 0.928 523 D HN 0.341 nan 8.370 nan 0.000 0.469 524 A N 0.208 122.954 122.820 -0.124 0.000 1.969 524 A HA -0.121 4.318 4.320 0.198 0.000 0.218 524 A C 1.821 179.320 177.584 -0.141 0.000 1.169 524 A CA 0.868 52.773 52.037 -0.219 0.000 0.635 524 A CB -1.282 17.448 19.000 -0.450 0.000 0.810 524 A HN 0.484 nan 8.150 nan 0.000 0.445 525 W N -0.762 120.596 121.300 0.096 0.000 3.292 525 W HA 0.207 4.985 4.660 0.197 0.000 0.263 525 W C 1.824 178.381 176.519 0.064 0.000 1.318 525 W CA -0.243 57.151 57.345 0.081 0.000 1.663 525 W CB 0.186 29.693 29.460 0.078 0.000 1.114 525 W HN 0.199 nan 8.180 nan 0.000 0.706 526 R N -0.145 120.486 120.500 0.219 0.000 2.334 526 R HA 0.080 4.539 4.340 0.198 0.000 0.216 526 R C 0.490 176.863 176.300 0.122 0.000 0.905 526 R CA 0.587 56.780 56.100 0.155 0.000 1.064 526 R CB 0.239 30.607 30.300 0.114 0.000 1.046 526 R HN -0.092 nan 8.270 nan 0.000 0.508 527 T N -2.240 112.387 114.554 0.123 0.000 2.912 527 T HA 0.344 4.812 4.350 0.198 0.000 0.299 527 T C -2.844 171.922 174.700 0.110 0.000 1.052 527 T CA -2.410 59.748 62.100 0.098 0.000 0.996 527 T CB 2.616 71.528 68.868 0.072 0.000 1.070 527 T HN -0.289 nan 8.240 nan 0.000 0.465 528 P HA 0.225 nan 4.420 nan 0.000 0.232 528 P C -0.141 177.207 177.300 0.081 0.000 1.738 528 P CA 0.055 63.212 63.100 0.095 0.000 0.948 528 P CB -0.801 30.945 31.700 0.077 0.000 1.943 529 T N -3.924 110.678 114.554 0.081 0.000 2.883 529 T HA 0.454 4.923 4.350 0.198 0.000 0.296 529 T C -0.277 174.455 174.700 0.053 0.000 1.117 529 T CA -0.710 61.427 62.100 0.062 0.000 1.006 529 T CB 0.913 69.814 68.868 0.054 0.000 1.191 529 T HN -0.248 nan 8.240 nan 0.000 0.508 530 T N 2.459 117.037 114.554 0.040 0.000 2.794 530 T HA 0.515 4.983 4.350 0.198 0.000 0.296 530 T C -0.263 174.443 174.700 0.009 0.000 0.949 530 T CA -0.154 61.959 62.100 0.022 0.000 1.101 530 T CB 0.531 69.409 68.868 0.017 0.000 0.905 530 T HN 0.723 nan 8.240 nan 0.000 0.516 531 T N 3.440 117.980 114.554 -0.023 0.000 2.786 531 T HA 0.422 4.891 4.350 0.198 0.000 0.283 531 T C -0.003 174.677 174.700 -0.035 0.000 0.992 531 T CA -0.497 61.586 62.100 -0.030 0.000 0.954 531 T CB 1.171 70.010 68.868 -0.049 0.000 0.934 531 T HN 0.297 nan 8.240 nan 0.000 0.440 532 V N 5.125 125.038 119.914 -0.002 0.000 2.509 532 V HA 0.491 4.730 4.120 0.198 0.000 0.284 532 V C -0.137 175.925 176.094 -0.053 0.000 1.047 532 V CA -0.455 61.852 62.300 0.012 0.000 0.952 532 V CB 1.079 32.974 31.823 0.120 0.000 0.988 532 V HN 0.765 nan 8.190 nan 0.000 0.469 533 I N 4.423 124.934 120.570 -0.099 0.000 2.468 533 I HA 0.367 4.655 4.170 0.198 0.000 0.284 533 I C -0.227 175.804 176.117 -0.143 0.000 1.038 533 I CA -0.282 60.906 61.300 -0.187 0.000 1.083 533 I CB 1.833 39.682 38.000 -0.251 0.000 1.223 533 I HN 0.597 nan 8.210 nan 0.000 0.443 534 E N 7.577 127.689 120.200 -0.145 0.000 2.081 534 E HA 0.355 4.824 4.350 0.198 0.000 0.281 534 E C -0.896 175.704 176.600 0.000 0.000 0.986 534 E CA -0.618 55.785 56.400 0.004 0.000 0.796 534 E CB 1.187 31.043 29.700 0.260 0.000 1.085 534 E HN 0.520 nan 8.360 nan 0.000 0.398 535 M N 5.859 125.456 119.600 -0.006 0.000 2.063 535 M HA 0.235 4.833 4.480 0.198 0.000 0.348 535 M C -1.382 174.946 176.300 0.047 0.000 1.180 535 M CA -0.698 54.597 55.300 -0.008 0.000 1.059 535 M CB 0.884 33.410 32.600 -0.122 0.000 1.544 535 M HN 0.275 nan 8.290 nan 0.000 0.447 536 V N 6.456 126.436 119.914 0.111 0.000 2.461 536 V HA 0.460 4.699 4.120 0.198 0.000 0.275 536 V C -0.113 176.039 176.094 0.096 0.000 1.047 536 V CA -0.442 61.944 62.300 0.143 0.000 0.955 536 V CB 1.133 33.084 31.823 0.214 0.000 0.988 536 V HN 0.708 nan 8.190 nan 0.000 0.471 537 V N 2.323 122.276 119.914 0.065 0.000 3.078 537 V HA 0.667 4.905 4.120 0.198 0.000 0.311 537 V C -0.430 175.693 176.094 0.047 0.000 1.138 537 V CA -1.300 61.021 62.300 0.035 0.000 1.007 537 V CB 2.368 34.179 31.823 -0.020 0.000 1.045 537 V HN 0.644 nan 8.190 nan 0.000 0.432 538 N N 2.725 121.451 118.700 0.044 0.000 2.431 538 N HA 0.105 4.963 4.740 0.198 0.000 0.265 538 N C 0.652 176.183 175.510 0.034 0.000 1.184 538 N CA 0.482 53.557 53.050 0.042 0.000 0.943 538 N CB 1.190 39.702 38.487 0.041 0.000 1.080 538 N HN 0.965 nan 8.380 nan 0.000 0.477 539 D N 0.836 121.257 120.400 0.036 0.000 2.218 539 D HA -0.238 4.521 4.640 0.198 0.000 0.194 539 D C 1.194 177.512 176.300 0.030 0.000 1.007 539 D CA 2.052 56.073 54.000 0.035 0.000 0.879 539 D CB -0.572 40.252 40.800 0.040 0.000 0.918 539 D HN 0.591 nan 8.370 nan 0.000 0.449 540 T N -4.072 110.500 114.554 0.029 0.000 3.069 540 T HA 0.104 4.572 4.350 0.198 0.000 0.252 540 T C 1.003 175.715 174.700 0.021 0.000 1.053 540 T CA -0.121 61.995 62.100 0.026 0.000 0.964 540 T CB 0.244 69.129 68.868 0.028 0.000 1.005 540 T HN -0.123 nan 8.240 nan 0.000 0.532 541 D N 2.081 122.495 120.400 0.022 0.000 2.178 541 D HA 0.037 4.796 4.640 0.198 0.000 0.202 541 D C 2.227 178.538 176.300 0.018 0.000 0.974 541 D CA 1.244 55.258 54.000 0.023 0.000 0.841 541 D CB -0.628 40.190 40.800 0.029 0.000 0.953 541 D HN 0.553 nan 8.370 nan 0.000 0.478 542 G N 1.125 109.932 108.800 0.012 0.000 2.505 542 G HA2 -0.164 3.915 3.960 0.198 0.000 0.214 542 G HA3 -0.164 3.915 3.960 0.198 0.000 0.214 542 G C 1.746 176.647 174.900 0.002 0.000 1.237 542 G CA 1.555 46.660 45.100 0.007 0.000 0.802 542 G HN 0.363 nan 8.290 nan 0.000 0.549 543 A N 0.457 123.277 122.820 -0.001 0.000 1.881 543 A HA -0.281 4.158 4.320 0.198 0.000 0.219 543 A C 2.351 179.935 177.584 -0.001 0.000 1.215 543 A CA 2.508 54.542 52.037 -0.005 0.000 0.648 543 A CB -0.850 18.149 19.000 -0.001 0.000 0.832 543 A HN 0.489 nan 8.150 nan 0.000 0.455 544 Q N -1.484 118.319 119.800 0.006 0.000 2.061 544 Q HA -0.154 4.305 4.340 0.198 0.000 0.204 544 Q C 2.331 178.333 176.000 0.003 0.000 0.984 544 Q CA 2.157 57.964 55.803 0.007 0.000 0.846 544 Q CB -0.447 28.299 28.738 0.013 0.000 0.902 544 Q HN 0.737 nan 8.270 nan 0.000 0.421 545 T N 1.309 115.866 114.554 0.005 0.000 2.684 545 T HA -0.176 4.293 4.350 0.198 0.000 0.267 545 T C 1.708 176.402 174.700 -0.010 0.000 1.036 545 T CA 1.183 63.284 62.100 0.002 0.000 1.148 545 T CB -0.350 68.522 68.868 0.008 0.000 0.863 545 T HN 0.126 nan 8.240 nan 0.000 0.436 546 L N 1.179 122.395 121.223 -0.011 0.000 1.989 546 L HA -0.152 4.307 4.340 0.198 0.000 0.211 546 L C 2.529 179.385 176.870 -0.023 0.000 1.071 546 L CA 1.831 56.659 54.840 -0.020 0.000 0.749 546 L CB -0.844 41.202 42.059 -0.020 0.000 0.890 546 L HN 0.291 nan 8.230 nan 0.000 0.431 547 Q N -1.082 118.708 119.800 -0.017 0.000 2.045 547 Q HA -0.301 4.157 4.340 0.198 0.000 0.206 547 Q C 2.216 178.203 176.000 -0.022 0.000 0.991 547 Q CA 2.350 58.143 55.803 -0.017 0.000 0.851 547 Q CB -0.269 28.465 28.738 -0.007 0.000 0.911 547 Q HN 0.664 nan 8.270 nan 0.000 0.418 548 Q N 0.262 120.053 119.800 -0.015 0.000 2.096 548 Q HA -0.173 4.286 4.340 0.198 0.000 0.204 548 Q C 2.179 178.158 176.000 -0.035 0.000 0.982 548 Q CA 1.193 56.986 55.803 -0.015 0.000 0.850 548 Q CB -0.169 28.567 28.738 -0.003 0.000 0.901 548 Q HN 0.370 nan 8.270 nan 0.000 0.422 549 L N 0.389 121.591 121.223 -0.035 0.000 2.056 549 L HA -0.168 4.291 4.340 0.198 0.000 0.207 549 L C 2.331 179.165 176.870 -0.061 0.000 1.078 549 L CA 0.565 55.379 54.840 -0.044 0.000 0.749 549 L CB -0.361 41.674 42.059 -0.041 0.000 0.901 549 L HN 0.362 nan 8.230 nan 0.000 0.433 550 L N -0.186 121.001 121.223 -0.061 0.000 2.129 550 L HA -0.250 4.208 4.340 0.198 0.000 0.212 550 L C 2.495 179.290 176.870 -0.125 0.000 1.087 550 L CA 2.031 56.827 54.840 -0.075 0.000 0.757 550 L CB -0.557 41.468 42.059 -0.058 0.000 0.896 550 L HN 0.297 nan 8.230 nan 0.000 0.434 551 A N -0.826 121.908 122.820 -0.144 0.000 1.878 551 A HA -0.229 4.210 4.320 0.198 0.000 0.213 551 A C 2.175 179.474 177.584 -0.476 0.000 1.192 551 A CA 1.099 52.969 52.037 -0.278 0.000 0.619 551 A CB -0.498 18.431 19.000 -0.119 0.000 0.837 551 A HN 0.554 nan 8.150 nan 0.000 0.446 552 Q N 0.004 119.681 119.800 -0.204 0.000 2.112 552 Q HA -0.160 4.299 4.340 0.198 0.000 0.206 552 Q C 1.699 177.628 176.000 -0.120 0.000 0.987 552 Q CA 2.287 58.024 55.803 -0.110 0.000 0.858 552 Q CB -0.195 28.523 28.738 -0.033 0.000 0.905 552 Q HN 0.379 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