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 1dgb_1_A DATA FIRST_RESID 4 DATA SEQUENCE SRDPASDQMQ HWKEQRAAQK ADVLTTGAGN PVGDKLNVIT VGPRGPLLVQ DATA SEQUENCE DVVFTDEMAH FDRERIPERV VHAKGAGAFG YFEVTHDITK YSKAKVFEHI DATA SEQUENCE GKKTPIAVRF STVAGESGSA DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF DATA SEQUENCE FIRDPILFPS FIHSQKRNPQ THLKDPDMVW DFWSLRPESL HQVSFLFSDR DATA SEQUENCE GIPDGHRHMN GYGSHTFKLV NANGEAVYCK FHYKTDQGIK NLSVEDAARL DATA SEQUENCE SQEDPDYGIR DLFNAIATGK YPSWTFYIQV MTFNQAETFP FNPFDLTKVW DATA SEQUENCE PHKDYPLIPV GKLVLNRNPV NYFAEVEQIA FDPSNMPPGI EASPDKMLQG DATA SEQUENCE RLFAYPDTHR HRLGPNYLHI PVNCPYRARV ANYQRDGPMC MQDNQGGAPN DATA SEQUENCE YYPNSFGAPE QQPSALEHSI QYSGEVRRFN TANDDNVTQV RAFYVNVLNE DATA SEQUENCE EQRKRLCENI AGHLKDAQIF IQKKAVKNFT EVHPDYGSHI QALLDKYN 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.620 174.600 0.034 0.000 1.055 4 S CA 0.000 58.222 58.200 0.036 0.000 1.107 4 S CB 0.000 63.240 63.200 0.067 0.000 0.593 5 R N 1.088 121.604 120.500 0.026 0.000 2.936 5 R HA 0.607 4.947 4.340 0.001 0.000 0.218 5 R C -0.591 175.737 176.300 0.048 0.000 1.528 5 R CA -0.613 55.505 56.100 0.029 0.000 1.005 5 R CB -0.286 30.023 30.300 0.015 0.000 2.099 5 R HN 0.845 nan 8.270 nan 0.000 0.527 6 D N 0.847 121.277 120.400 0.049 0.000 2.414 6 D HA -0.001 4.639 4.640 0.001 0.000 0.242 6 D C -1.792 174.571 176.300 0.105 0.000 1.129 6 D CA -1.237 52.808 54.000 0.075 0.000 0.885 6 D CB 0.683 41.522 40.800 0.066 0.000 1.198 6 D HN 0.075 nan 8.370 nan 0.000 0.437 7 P HA -0.259 nan 4.420 nan 0.000 0.218 7 P C 1.404 178.860 177.300 0.261 0.000 1.154 7 P CA 2.800 66.060 63.100 0.265 0.000 0.872 7 P CB 0.011 31.890 31.700 0.297 0.000 0.790 8 A N -0.065 122.898 122.820 0.238 0.000 1.873 8 A HA -0.264 4.057 4.320 0.001 0.000 0.218 8 A C 2.372 179.920 177.584 -0.060 0.000 1.193 8 A CA 2.948 54.994 52.037 0.015 0.000 0.629 8 A CB -1.743 17.237 19.000 -0.034 0.000 0.826 8 A HN 0.373 nan 8.150 nan 0.000 0.447 9 S N -0.473 115.214 115.700 -0.023 0.000 2.447 9 S HA -0.098 4.372 4.470 0.001 0.000 0.233 9 S C 0.801 175.362 174.600 -0.066 0.000 1.006 9 S CA 1.200 59.373 58.200 -0.045 0.000 0.957 9 S CB -0.314 62.871 63.200 -0.025 0.000 0.773 9 S HN 0.505 nan 8.310 nan 0.000 0.507 10 D N 1.172 121.521 120.400 -0.085 0.000 2.319 10 D HA 0.074 4.715 4.640 0.001 0.000 0.230 10 D C 1.765 177.913 176.300 -0.253 0.000 1.094 10 D CA 0.021 53.877 54.000 -0.240 0.000 0.856 10 D CB -0.192 40.340 40.800 -0.446 0.000 0.915 10 D HN 0.353 nan 8.370 nan 0.000 0.517 11 Q N 0.720 120.480 119.800 -0.066 0.000 1.943 11 Q HA -0.219 4.121 4.340 0.001 0.000 0.213 11 Q C 1.927 177.974 176.000 0.078 0.000 1.017 11 Q CA 1.476 57.303 55.803 0.039 0.000 0.874 11 Q CB -0.233 28.493 28.738 -0.019 0.000 0.960 11 Q HN 0.324 nan 8.270 nan 0.000 0.417 12 M N 0.023 119.635 119.600 0.019 0.000 2.082 12 M HA -0.247 4.234 4.480 0.001 0.000 0.258 12 M C 2.308 178.691 176.300 0.139 0.000 1.069 12 M CA 2.068 57.401 55.300 0.055 0.000 1.102 12 M CB -0.427 32.159 32.600 -0.024 0.000 1.336 12 M HN 0.216 nan 8.290 nan 0.000 0.404 13 Q N 0.095 119.918 119.800 0.037 0.000 2.096 13 Q HA -0.186 4.155 4.340 0.001 0.000 0.204 13 Q C 1.589 177.677 176.000 0.147 0.000 0.982 13 Q CA 2.028 57.859 55.803 0.047 0.000 0.850 13 Q CB -0.370 28.336 28.738 -0.055 0.000 0.901 13 Q HN 0.637 nan 8.270 nan 0.000 0.422 14 H N -2.370 116.791 119.070 0.152 0.000 2.357 14 H HA -0.138 4.419 4.556 0.001 0.000 0.301 14 H C 1.455 176.883 175.328 0.168 0.000 1.082 14 H CA 0.880 57.011 56.048 0.139 0.000 1.342 14 H CB -0.243 29.603 29.762 0.141 0.000 1.389 14 H HN 0.416 nan 8.280 nan 0.000 0.511 15 W N 2.605 124.002 121.300 0.161 0.000 2.335 15 W HA -0.222 4.439 4.660 0.001 0.000 0.311 15 W C 2.567 179.129 176.519 0.072 0.000 1.213 15 W CA 1.909 59.314 57.345 0.100 0.000 1.274 15 W CB 0.015 29.519 29.460 0.072 0.000 1.148 15 W HN 0.008 nan 8.180 nan 0.000 0.498 16 K N 0.490 121.170 120.400 0.466 0.000 1.987 16 K HA -0.287 4.034 4.320 0.001 0.000 0.216 16 K C 1.876 178.520 176.600 0.074 0.000 1.051 16 K CA 2.394 58.861 56.287 0.300 0.000 0.942 16 K CB -0.616 32.034 32.500 0.251 0.000 0.722 16 K HN 0.198 nan 8.250 nan 0.000 0.444 17 E N 0.401 120.659 120.200 0.095 0.000 2.130 17 E HA -0.256 4.094 4.350 0.001 0.000 0.196 17 E C 2.146 178.730 176.600 -0.026 0.000 0.998 17 E CA 1.604 58.033 56.400 0.048 0.000 0.806 17 E CB -0.069 29.690 29.700 0.097 0.000 0.738 17 E HN 0.456 nan 8.360 nan 0.000 0.459 18 Q N -0.114 119.643 119.800 -0.071 0.000 2.500 18 Q HA -0.065 4.275 4.340 0.001 0.000 0.213 18 Q C 1.194 177.060 176.000 -0.222 0.000 0.974 18 Q CA 0.735 56.449 55.803 -0.147 0.000 0.918 18 Q CB 0.161 28.791 28.738 -0.181 0.000 0.980 18 Q HN 0.100 nan 8.270 nan 0.000 0.505 19 R N -1.469 118.881 120.500 -0.250 0.000 2.535 19 R HA 0.275 4.615 4.340 0.001 0.000 0.323 19 R C 1.473 177.699 176.300 -0.123 0.000 0.979 19 R CA 0.306 56.254 56.100 -0.252 0.000 1.120 19 R CB 0.528 30.558 30.300 -0.451 0.000 1.306 19 R HN 0.072 nan 8.270 nan 0.000 0.540 20 A N 1.354 124.130 122.820 -0.074 0.000 1.997 20 A HA -0.147 4.173 4.320 0.001 0.000 0.221 20 A C 1.725 179.291 177.584 -0.030 0.000 1.172 20 A CA 1.964 53.983 52.037 -0.030 0.000 0.645 20 A CB -0.235 18.758 19.000 -0.013 0.000 0.813 20 A HN 0.306 nan 8.150 nan 0.000 0.454 21 A N -0.235 122.558 122.820 -0.045 0.000 3.163 21 A HA 0.497 4.818 4.320 0.001 0.000 0.283 21 A C 0.163 177.723 177.584 -0.040 0.000 1.412 21 A CA 0.176 52.191 52.037 -0.037 0.000 1.053 21 A CB -0.745 18.233 19.000 -0.037 0.000 1.082 21 A HN 0.739 nan 8.150 nan 0.000 0.639 22 Q N -1.091 118.686 119.800 -0.038 0.000 2.574 22 Q HA 0.337 4.677 4.340 0.001 0.000 0.265 22 Q C -1.068 174.922 176.000 -0.016 0.000 0.975 22 Q CA -0.923 54.861 55.803 -0.032 0.000 0.923 22 Q CB 0.704 29.412 28.738 -0.050 0.000 1.518 22 Q HN 0.174 nan 8.270 nan 0.000 0.401 23 K N 1.021 121.418 120.400 -0.005 0.000 2.414 23 K HA 0.443 4.764 4.320 0.001 0.000 0.272 23 K C -0.257 176.355 176.600 0.021 0.000 0.993 23 K CA 0.501 56.793 56.287 0.009 0.000 0.964 23 K CB 0.662 33.166 32.500 0.007 0.000 0.925 23 K HN 0.689 nan 8.250 nan 0.000 0.487 24 A N 4.004 126.847 122.820 0.038 0.000 2.477 24 A HA 0.050 4.370 4.320 0.001 0.000 0.246 24 A C -0.351 177.264 177.584 0.053 0.000 1.078 24 A CA -0.292 51.784 52.037 0.064 0.000 0.770 24 A CB 0.160 19.206 19.000 0.075 0.000 1.011 24 A HN 0.817 nan 8.150 nan 0.000 0.494 25 D N 0.747 121.188 120.400 0.067 0.000 2.378 25 D HA 0.191 4.831 4.640 0.001 0.000 0.238 25 D C 0.176 176.499 176.300 0.038 0.000 1.180 25 D CA 0.211 54.241 54.000 0.049 0.000 0.895 25 D CB 0.853 41.688 40.800 0.060 0.000 1.192 25 D HN 0.211 nan 8.370 nan 0.000 0.438 26 V N 2.524 122.453 119.914 0.025 0.000 2.521 26 V HA -0.049 4.072 4.120 0.001 0.000 0.286 26 V C 0.506 176.608 176.094 0.015 0.000 1.034 26 V CA -0.517 61.794 62.300 0.018 0.000 1.045 26 V CB 0.976 32.806 31.823 0.012 0.000 0.974 26 V HN 0.296 nan 8.190 nan 0.000 0.480 27 L N 7.288 128.518 121.223 0.011 0.000 2.418 27 L HA 0.427 4.767 4.340 0.001 0.000 0.274 27 L C 0.523 177.392 176.870 -0.001 0.000 1.135 27 L CA 0.814 55.656 54.840 0.003 0.000 0.870 27 L CB 0.548 42.608 42.059 0.001 0.000 1.154 27 L HN 0.952 nan 8.230 nan 0.000 0.462 28 T N 0.854 115.404 114.554 -0.007 0.000 2.926 28 T HA 0.731 5.082 4.350 0.001 0.000 0.289 28 T C 0.272 174.962 174.700 -0.017 0.000 1.054 28 T CA -0.132 61.963 62.100 -0.008 0.000 1.015 28 T CB 1.184 70.048 68.868 -0.007 0.000 1.167 28 T HN 0.765 nan 8.240 nan 0.000 0.526 29 T N -1.316 113.231 114.554 -0.013 0.000 2.754 29 T HA 0.443 4.794 4.350 0.001 0.000 0.286 29 T C 1.790 176.474 174.700 -0.026 0.000 0.997 29 T CA -0.127 61.962 62.100 -0.017 0.000 0.982 29 T CB 0.034 68.899 68.868 -0.006 0.000 1.027 29 T HN 0.946 nan 8.240 nan 0.000 0.529 30 G N -0.439 108.342 108.800 -0.032 0.000 2.448 30 G HA2 0.094 4.055 3.960 0.001 0.000 0.219 30 G HA3 0.094 4.055 3.960 0.001 0.000 0.219 30 G C 1.463 176.354 174.900 -0.016 0.000 1.127 30 G CA 0.395 45.474 45.100 -0.036 0.000 0.766 30 G HN 1.067 nan 8.290 nan 0.000 0.552 31 A N -0.297 122.519 122.820 -0.008 0.000 2.238 31 A HA 0.467 4.787 4.320 0.001 0.000 0.208 31 A C 2.043 179.626 177.584 -0.002 0.000 1.177 31 A CA 1.231 53.268 52.037 -0.001 0.000 0.804 31 A CB -0.486 18.516 19.000 0.003 0.000 0.823 31 A HN 1.515 nan 8.150 nan 0.000 0.482 32 G N -0.527 108.270 108.800 -0.006 0.000 2.179 32 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 32 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 32 G C -0.071 174.828 174.900 -0.001 0.000 0.977 32 G CA 0.168 45.265 45.100 -0.004 0.000 0.641 32 G HN 0.671 nan 8.290 nan 0.000 0.533 33 N N 2.068 120.768 118.700 -0.000 0.000 2.470 33 N HA 0.469 5.210 4.740 0.001 0.000 0.268 33 N C -2.655 172.856 175.510 0.002 0.000 1.136 33 N CA -1.269 51.782 53.050 0.002 0.000 0.961 33 N CB 1.035 39.525 38.487 0.005 0.000 1.067 33 N HN 0.109 nan 8.380 nan 0.000 0.468 34 P HA -0.010 nan 4.420 nan 0.000 0.268 34 P C -0.713 176.590 177.300 0.006 0.000 1.204 34 P CA -0.028 63.074 63.100 0.004 0.000 0.768 34 P CB 0.697 32.400 31.700 0.005 0.000 0.842 35 V N 3.433 123.350 119.914 0.006 0.000 2.439 35 V HA 0.345 4.466 4.120 0.001 0.000 0.282 35 V C 1.559 177.658 176.094 0.008 0.000 1.039 35 V CA 0.374 62.679 62.300 0.008 0.000 0.913 35 V CB 1.044 32.871 31.823 0.007 0.000 0.983 35 V HN 0.785 nan 8.190 nan 0.000 0.460 36 G N 2.405 111.210 108.800 0.009 0.000 2.453 36 G HA2 0.028 3.988 3.960 0.001 0.000 0.215 36 G HA3 0.028 3.988 3.960 0.001 0.000 0.215 36 G C 0.173 175.077 174.900 0.007 0.000 1.147 36 G CA 0.576 45.681 45.100 0.007 0.000 0.802 36 G HN 0.677 nan 8.290 nan 0.000 0.535 37 D N -1.170 119.235 120.400 0.009 0.000 2.591 37 D HA 0.154 4.794 4.640 0.001 0.000 0.222 37 D C -0.474 175.834 176.300 0.013 0.000 1.360 37 D CA -0.523 53.482 54.000 0.008 0.000 0.967 37 D CB 1.057 41.859 40.800 0.004 0.000 1.456 37 D HN -0.042 nan 8.370 nan 0.000 0.588 38 K N 3.859 124.266 120.400 0.011 0.000 2.681 38 K HA 0.293 4.614 4.320 0.001 0.000 0.211 38 K C 0.458 177.067 176.600 0.014 0.000 1.075 38 K CA -0.088 56.210 56.287 0.018 0.000 1.141 38 K CB 0.284 32.790 32.500 0.009 0.000 0.896 38 K HN 0.476 nan 8.250 nan 0.000 0.470 39 L N -0.073 121.155 121.223 0.009 0.000 2.966 39 L HA 0.257 4.598 4.340 0.001 0.000 0.262 39 L C -0.445 176.423 176.870 -0.004 0.000 1.165 39 L CA -0.130 54.711 54.840 0.001 0.000 0.978 39 L CB 0.445 42.501 42.059 -0.005 0.000 1.337 39 L HN 0.064 nan 8.230 nan 0.000 0.563 40 N N 0.150 118.849 118.700 -0.003 0.000 2.308 40 N HA 0.378 5.118 4.740 0.001 0.000 0.283 40 N C -0.767 174.727 175.510 -0.026 0.000 1.105 40 N CA -0.267 52.771 53.050 -0.021 0.000 0.840 40 N CB 3.296 41.770 38.487 -0.022 0.000 1.633 40 N HN -0.199 nan 8.380 nan 0.000 0.476 41 V N -1.096 118.776 119.914 -0.070 0.000 3.134 41 V HA 0.603 4.723 4.120 0.001 0.000 0.313 41 V C 0.584 176.630 176.094 -0.081 0.000 1.069 41 V CA -0.788 61.449 62.300 -0.106 0.000 1.048 41 V CB 0.737 32.397 31.823 -0.271 0.000 1.119 41 V HN 0.498 nan 8.190 nan 0.000 0.461 42 I N 2.871 123.399 120.570 -0.070 0.000 2.371 42 I HA 0.497 4.668 4.170 0.001 0.000 0.290 42 I C 0.466 176.544 176.117 -0.064 0.000 1.028 42 I CA 0.232 61.503 61.300 -0.047 0.000 1.345 42 I CB 1.115 39.102 38.000 -0.022 0.000 1.407 42 I HN 1.029 nan 8.210 nan 0.000 0.501 43 T N 2.311 116.833 114.554 -0.052 0.000 2.896 43 T HA 0.371 4.722 4.350 0.001 0.000 0.297 43 T C -0.588 174.092 174.700 -0.035 0.000 1.108 43 T CA -0.806 61.263 62.100 -0.052 0.000 1.004 43 T CB 2.002 70.834 68.868 -0.060 0.000 1.159 43 T HN 0.267 nan 8.240 nan 0.000 0.499 44 V N 2.386 122.282 119.914 -0.030 0.000 2.338 44 V HA 0.612 4.733 4.120 0.001 0.000 0.255 44 V C 0.709 176.790 176.094 -0.022 0.000 1.082 44 V CA 1.416 63.703 62.300 -0.022 0.000 0.951 44 V CB -0.782 31.030 31.823 -0.018 0.000 1.102 44 V HN 1.865 nan 8.190 nan 0.000 0.489 45 G N 6.881 115.669 108.800 -0.020 0.000 2.730 45 G HA2 -0.132 3.829 3.960 0.001 0.000 0.686 45 G HA3 -0.132 3.829 3.960 0.001 0.000 0.686 45 G C -1.900 172.986 174.900 -0.023 0.000 1.343 45 G CA -0.285 44.803 45.100 -0.019 0.000 0.826 45 G HN 0.553 nan 8.290 nan 0.000 0.582 46 P HA -0.004 nan 4.420 nan 0.000 0.218 46 P C 1.237 178.521 177.300 -0.026 0.000 1.149 46 P CA 1.306 64.392 63.100 -0.023 0.000 0.817 46 P CB 0.046 31.735 31.700 -0.019 0.000 0.785 47 R N -0.660 119.826 120.500 -0.024 0.000 2.816 47 R HA 0.424 4.764 4.340 0.001 0.000 0.382 47 R C 0.554 176.838 176.300 -0.026 0.000 1.140 47 R CA -0.329 55.756 56.100 -0.025 0.000 1.050 47 R CB 0.848 31.136 30.300 -0.021 0.000 1.396 47 R HN 0.105 nan 8.270 nan 0.000 0.583 48 G N 1.257 110.038 108.800 -0.030 0.000 2.552 48 G HA2 0.495 4.456 3.960 0.001 0.000 0.324 48 G HA3 0.495 4.456 3.960 0.001 0.000 0.324 48 G C -2.416 172.460 174.900 -0.039 0.000 1.217 48 G CA -1.324 43.758 45.100 -0.030 0.000 0.989 48 G HN -0.084 nan 8.290 nan 0.000 0.490 49 P HA 0.227 nan 4.420 nan 0.000 0.272 49 P C -0.546 176.720 177.300 -0.057 0.000 1.240 49 P CA -0.554 62.520 63.100 -0.044 0.000 0.791 49 P CB 1.272 32.953 31.700 -0.031 0.000 0.978 50 L N 1.337 122.515 121.223 -0.076 0.000 2.417 50 L HA 0.252 4.593 4.340 0.001 0.000 0.268 50 L C -0.405 176.429 176.870 -0.060 0.000 1.158 50 L CA -0.145 54.634 54.840 -0.102 0.000 0.819 50 L CB -0.240 41.717 42.059 -0.169 0.000 1.112 50 L HN 0.211 nan 8.230 nan 0.000 0.458 51 L N 4.956 126.148 121.223 -0.051 0.000 2.334 51 L HA 0.337 4.677 4.340 0.001 0.000 0.275 51 L C 1.055 177.931 176.870 0.010 0.000 1.036 51 L CA -0.901 53.929 54.840 -0.016 0.000 0.807 51 L CB 1.669 43.721 42.059 -0.011 0.000 1.231 51 L HN 0.480 nan 8.230 nan 0.000 0.438 52 V N 1.203 121.132 119.914 0.025 0.000 2.626 52 V HA -0.222 3.898 4.120 0.001 0.000 0.252 52 V C 2.182 178.307 176.094 0.051 0.000 1.067 52 V CA 1.465 63.794 62.300 0.048 0.000 1.081 52 V CB -0.556 31.290 31.823 0.038 0.000 0.686 52 V HN 0.844 nan 8.190 nan 0.000 0.468 53 Q N -0.267 119.553 119.800 0.033 0.000 2.217 53 Q HA -0.227 4.113 4.340 0.001 0.000 0.209 53 Q C 1.126 177.153 176.000 0.044 0.000 0.988 53 Q CA 1.302 57.124 55.803 0.031 0.000 0.878 53 Q CB -0.162 28.587 28.738 0.018 0.000 0.909 53 Q HN 0.531 nan 8.270 nan 0.000 0.424 54 D N 0.251 120.685 120.400 0.056 0.000 2.541 54 D HA -0.032 4.609 4.640 0.001 0.000 0.231 54 D C 0.953 177.332 176.300 0.132 0.000 1.163 54 D CA -0.069 53.982 54.000 0.085 0.000 1.077 54 D CB 0.641 41.487 40.800 0.078 0.000 1.110 54 D HN 0.095 nan 8.370 nan 0.000 0.499 55 V N 1.331 121.297 119.914 0.087 0.000 3.041 55 V HA -0.108 4.013 4.120 0.001 0.000 0.260 55 V C 2.055 178.189 176.094 0.067 0.000 1.105 55 V CA 0.471 62.815 62.300 0.073 0.000 1.125 55 V CB -0.355 31.494 31.823 0.044 0.000 0.730 55 V HN 0.247 nan 8.190 nan 0.000 0.479 56 V N 0.415 120.377 119.914 0.080 0.000 2.295 56 V HA -0.209 3.912 4.120 0.001 0.000 0.246 56 V C 2.317 178.458 176.094 0.079 0.000 1.049 56 V CA 2.731 65.070 62.300 0.065 0.000 1.024 56 V CB -0.914 30.950 31.823 0.067 0.000 0.648 56 V HN 0.636 nan 8.190 nan 0.000 0.447 57 F N 1.536 121.485 119.950 -0.002 0.000 2.075 57 F HA -0.217 4.310 4.527 0.001 0.000 0.297 57 F C 2.448 178.255 175.800 0.011 0.000 1.113 57 F CA 2.431 60.429 58.000 -0.003 0.000 1.218 57 F CB -0.845 38.151 39.000 -0.006 0.000 0.984 57 F HN 0.130 nan 8.300 nan 0.000 0.472 58 T N -0.096 114.401 114.554 -0.097 0.000 2.652 58 T HA -0.266 4.084 4.350 0.001 0.000 0.267 58 T C 1.483 176.083 174.700 -0.167 0.000 1.039 58 T CA 1.808 63.798 62.100 -0.184 0.000 1.153 58 T CB -0.691 68.193 68.868 0.027 0.000 0.863 58 T HN 0.449 nan 8.240 nan 0.000 0.428 59 D N 0.845 121.201 120.400 -0.073 0.000 2.103 59 D HA -0.176 4.465 4.640 0.001 0.000 0.190 59 D C 2.175 178.443 176.300 -0.054 0.000 0.997 59 D CA 1.745 55.720 54.000 -0.041 0.000 0.833 59 D CB -0.201 40.589 40.800 -0.017 0.000 0.961 59 D HN 0.547 nan 8.370 nan 0.000 0.447 60 E N -1.237 118.907 120.200 -0.093 0.000 2.051 60 E HA -0.239 4.112 4.350 0.001 0.000 0.192 60 E C 2.034 178.587 176.600 -0.078 0.000 0.991 60 E CA 1.040 57.393 56.400 -0.079 0.000 0.799 60 E CB -0.190 29.454 29.700 -0.094 0.000 0.748 60 E HN 0.257 nan 8.360 nan 0.000 0.449 61 M N 1.105 120.542 119.600 -0.272 0.000 2.065 61 M HA -0.110 4.370 4.480 0.001 0.000 0.259 61 M C 2.120 178.391 176.300 -0.048 0.000 1.069 61 M CA 2.107 57.253 55.300 -0.257 0.000 1.110 61 M CB -0.731 31.444 32.600 -0.709 0.000 1.328 61 M HN 0.172 nan 8.290 nan 0.000 0.405 62 A N -1.399 121.368 122.820 -0.087 0.000 1.927 62 A HA -0.296 4.024 4.320 0.001 0.000 0.220 62 A C 2.170 179.754 177.584 -0.000 0.000 1.185 62 A CA 2.473 54.490 52.037 -0.032 0.000 0.639 62 A CB -1.421 17.562 19.000 -0.028 0.000 0.820 62 A HN 0.812 nan 8.150 nan 0.000 0.451 63 H N -2.320 116.729 119.070 -0.034 0.000 2.363 63 H HA -0.085 4.472 4.556 0.001 0.000 0.301 63 H C 1.690 177.003 175.328 -0.025 0.000 1.074 63 H CA 1.801 57.830 56.048 -0.032 0.000 1.354 63 H CB -0.270 29.476 29.762 -0.027 0.000 1.397 63 H HN 0.479 nan 8.280 nan 0.000 0.516 64 F N 1.524 121.491 119.950 0.027 0.000 2.126 64 F HA -0.207 4.320 4.527 0.001 0.000 0.299 64 F C 1.607 177.357 175.800 -0.084 0.000 1.096 64 F CA 1.779 59.765 58.000 -0.022 0.000 1.255 64 F CB -0.378 38.595 39.000 -0.045 0.000 0.997 64 F HN 0.186 nan 8.300 nan 0.000 0.479 65 D N 0.173 120.486 120.400 -0.145 0.000 2.351 65 D HA -0.121 4.519 4.640 0.001 0.000 0.216 65 D C 1.648 177.780 176.300 -0.280 0.000 0.968 65 D CA 1.034 54.898 54.000 -0.227 0.000 0.899 65 D CB -0.229 40.531 40.800 -0.066 0.000 0.907 65 D HN 0.443 nan 8.370 nan 0.000 0.514 66 R N -0.128 120.182 120.500 -0.317 0.000 2.543 66 R HA 0.191 4.532 4.340 0.001 0.000 0.323 66 R C 1.301 177.387 176.300 -0.357 0.000 1.002 66 R CA -0.149 55.767 56.100 -0.308 0.000 1.106 66 R CB 0.578 30.704 30.300 -0.288 0.000 1.280 66 R HN 0.140 nan 8.270 nan 0.000 0.549 67 E N 1.065 121.021 120.200 -0.406 0.000 2.130 67 E HA -0.129 4.222 4.350 0.001 0.000 0.196 67 E C 0.326 176.770 176.600 -0.259 0.000 0.998 67 E CA 1.076 57.257 56.400 -0.365 0.000 0.806 67 E CB 0.172 29.659 29.700 -0.355 0.000 0.738 67 E HN 0.118 nan 8.360 nan 0.000 0.459 68 R N 1.038 121.423 120.500 -0.192 0.000 2.490 68 R HA 0.382 4.722 4.340 0.001 0.000 0.278 68 R C 0.544 176.838 176.300 -0.010 0.000 1.069 68 R CA -0.141 55.922 56.100 -0.063 0.000 1.080 68 R CB 0.535 30.790 30.300 -0.074 0.000 1.030 68 R HN 0.175 nan 8.270 nan 0.000 0.491 69 I N -1.674 118.937 120.570 0.068 0.000 3.074 69 I HA 0.553 4.723 4.170 0.001 0.000 0.310 69 I C -2.415 173.717 176.117 0.026 0.000 1.153 69 I CA -3.013 58.310 61.300 0.038 0.000 0.993 69 I CB 2.062 40.112 38.000 0.083 0.000 1.237 69 I HN 0.238 nan 8.210 nan 0.000 0.443 70 P HA 0.117 nan 4.420 nan 0.000 0.264 70 P C -0.901 176.422 177.300 0.039 0.000 1.193 70 P CA -0.004 63.104 63.100 0.013 0.000 0.763 70 P CB 0.407 32.104 31.700 -0.004 0.000 0.810 71 E N 2.857 123.091 120.200 0.057 0.000 2.392 71 E HA 0.148 4.498 4.350 0.001 0.000 0.256 71 E C -0.431 176.209 176.600 0.067 0.000 1.145 71 E CA -0.817 55.623 56.400 0.067 0.000 0.929 71 E CB 0.579 30.323 29.700 0.073 0.000 0.998 71 E HN 0.256 nan 8.360 nan 0.000 0.442 72 R N 0.899 121.443 120.500 0.073 0.000 2.583 72 R HA -0.056 4.285 4.340 0.001 0.000 0.274 72 R C 1.054 177.393 176.300 0.066 0.000 0.998 72 R CA 0.130 56.274 56.100 0.074 0.000 1.081 72 R CB 0.561 30.925 30.300 0.107 0.000 0.940 72 R HN 0.567 nan 8.270 nan 0.000 0.413 73 V N 4.083 124.022 119.914 0.042 0.000 2.568 73 V HA -0.135 3.986 4.120 0.001 0.000 0.253 73 V C 0.550 176.670 176.094 0.045 0.000 1.072 73 V CA 1.876 64.195 62.300 0.031 0.000 1.084 73 V CB 0.109 31.933 31.823 0.001 0.000 0.676 73 V HN 0.548 nan 8.190 nan 0.000 0.469 74 V N -4.689 115.282 119.914 0.094 0.000 3.147 74 V HA 0.566 4.686 4.120 0.001 0.000 0.306 74 V C -0.003 176.249 176.094 0.264 0.000 1.209 74 V CA -0.767 61.614 62.300 0.135 0.000 1.023 74 V CB 1.513 33.466 31.823 0.216 0.000 1.059 74 V HN 0.414 nan 8.190 nan 0.000 0.435 75 H N 0.425 119.551 119.070 0.093 0.000 2.826 75 H HA -0.210 4.347 4.556 0.001 0.000 0.306 75 H C 1.401 176.789 175.328 0.100 0.000 1.235 75 H CA 0.769 56.883 56.048 0.111 0.000 1.150 75 H CB -1.049 28.791 29.762 0.129 0.000 1.409 75 H HN 1.228 nan 8.280 nan 0.000 0.420 76 A N 0.423 123.338 122.820 0.158 0.000 1.897 76 A HA -0.078 4.243 4.320 0.001 0.000 0.215 76 A C 1.571 179.248 177.584 0.154 0.000 1.181 76 A CA 0.897 53.016 52.037 0.136 0.000 0.620 76 A CB 0.193 19.247 19.000 0.091 0.000 0.821 76 A HN 0.085 nan 8.150 nan 0.000 0.443 77 K N 1.217 121.703 120.400 0.144 0.000 2.310 77 K HA 0.470 4.791 4.320 0.001 0.000 0.290 77 K C -0.138 176.590 176.600 0.214 0.000 1.077 77 K CA 0.536 56.921 56.287 0.163 0.000 0.922 77 K CB 0.115 32.690 32.500 0.126 0.000 1.057 77 K HN 0.422 nan 8.250 nan 0.000 0.479 78 G N 0.786 109.738 108.800 0.253 0.000 2.682 78 G HA2 0.740 4.701 3.960 0.001 0.000 0.290 78 G HA3 0.740 4.701 3.960 0.001 0.000 0.290 78 G C -1.765 173.331 174.900 0.326 0.000 1.425 78 G CA -0.501 44.755 45.100 0.260 0.000 0.807 78 G HN 0.570 nan 8.290 nan 0.000 0.482 79 A N -1.331 121.641 122.820 0.253 0.000 2.454 79 A HA 0.995 5.315 4.320 0.001 0.000 0.302 79 A C -0.026 177.639 177.584 0.135 0.000 1.079 79 A CA -0.063 52.155 52.037 0.302 0.000 0.731 79 A CB 1.936 21.161 19.000 0.376 0.000 1.299 79 A HN 1.996 nan 8.150 nan 0.000 0.413 80 G N -0.935 107.930 108.800 0.107 0.000 2.574 80 G HA2 0.890 4.851 3.960 0.001 0.000 0.299 80 G HA3 0.890 4.851 3.960 0.001 0.000 0.299 80 G C -0.690 174.175 174.900 -0.059 0.000 1.298 80 G CA 0.015 45.059 45.100 -0.092 0.000 0.952 80 G HN 1.945 nan 8.290 nan 0.000 0.477 81 A N -0.346 122.287 122.820 -0.312 0.000 2.599 81 A HA 0.889 5.210 4.320 0.001 0.000 0.290 81 A C -1.976 175.238 177.584 -0.618 0.000 1.101 81 A CA -0.712 51.204 52.037 -0.202 0.000 0.674 81 A CB 1.125 20.144 19.000 0.031 0.000 1.277 81 A HN 0.759 nan 8.150 nan 0.000 0.419 82 F N -0.789 119.162 119.950 0.001 0.000 2.603 82 F HA 0.845 5.373 4.527 0.001 0.000 0.317 82 F C 0.892 176.668 175.800 -0.041 0.000 1.066 82 F CA 0.436 58.431 58.000 -0.008 0.000 0.941 82 F CB 2.586 41.592 39.000 0.009 0.000 1.291 82 F HN 1.157 nan 8.300 nan 0.000 0.472 83 G N 0.296 109.180 108.800 0.140 0.000 2.565 83 G HA2 0.475 4.435 3.960 0.001 0.000 0.142 83 G HA3 0.475 4.435 3.960 0.001 0.000 0.142 83 G C -2.115 172.862 174.900 0.127 0.000 1.181 83 G CA -0.256 44.860 45.100 0.026 0.000 1.066 83 G HN 0.840 nan 8.290 nan 0.000 0.530 84 Y N -1.554 118.773 120.300 0.044 0.000 2.638 84 Y HA 0.817 5.367 4.550 0.001 0.000 0.335 84 Y C -1.773 174.188 175.900 0.102 0.000 1.155 84 Y CA -2.384 55.755 58.100 0.066 0.000 1.046 84 Y CB 1.424 39.915 38.460 0.052 0.000 1.303 84 Y HN 0.796 nan 8.280 nan 0.000 0.460 85 F N 2.019 122.120 119.950 0.250 0.000 2.469 85 F HA 0.665 5.193 4.527 0.001 0.000 0.332 85 F C -0.770 175.194 175.800 0.273 0.000 1.103 85 F CA -0.659 57.448 58.000 0.178 0.000 0.979 85 F CB 1.696 40.786 39.000 0.150 0.000 1.137 85 F HN 0.772 nan 8.300 nan 0.000 0.463 86 E N 5.352 125.206 120.200 -0.576 0.000 2.234 86 E HA 0.498 4.849 4.350 0.001 0.000 0.266 86 E C -1.712 174.445 176.600 -0.738 0.000 0.877 86 E CA -0.891 55.242 56.400 -0.445 0.000 0.758 86 E CB 2.089 31.764 29.700 -0.042 0.000 1.170 86 E HN 0.558 nan 8.360 nan 0.000 0.415 87 V N 3.652 123.273 119.914 -0.489 0.000 2.614 87 V HA 0.122 4.243 4.120 0.001 0.000 0.291 87 V C 1.185 177.232 176.094 -0.078 0.000 1.049 87 V CA 0.659 62.821 62.300 -0.230 0.000 1.038 87 V CB 1.186 32.992 31.823 -0.028 0.000 0.980 87 V HN 0.973 nan 8.190 nan 0.000 0.481 88 T N -0.110 114.467 114.554 0.038 0.000 2.975 88 T HA 0.301 4.652 4.350 0.001 0.000 0.261 88 T C 0.272 174.898 174.700 -0.123 0.000 0.984 88 T CA 0.060 62.172 62.100 0.021 0.000 0.911 88 T CB 0.086 69.029 68.868 0.126 0.000 1.127 88 T HN 0.676 nan 8.240 nan 0.000 0.514 89 H N 0.119 119.238 119.070 0.081 0.000 2.985 89 H HA 0.624 5.180 4.556 0.001 0.000 0.360 89 H C -1.630 173.760 175.328 0.103 0.000 1.221 89 H CA -0.922 55.183 56.048 0.094 0.000 1.121 89 H CB 1.447 31.276 29.762 0.112 0.000 1.854 89 H HN 0.021 nan 8.280 nan 0.000 0.551 90 D N 1.873 122.399 120.400 0.210 0.000 2.274 90 D HA 0.165 4.805 4.640 0.001 0.000 0.239 90 D C 0.368 176.735 176.300 0.111 0.000 1.104 90 D CA -0.246 53.836 54.000 0.136 0.000 0.840 90 D CB 0.765 41.613 40.800 0.081 0.000 1.100 90 D HN 0.661 nan 8.370 nan 0.000 0.477 91 I N 0.956 121.581 120.570 0.092 0.000 3.817 91 I HA 0.121 4.292 4.170 0.001 0.000 0.325 91 I C 1.352 177.475 176.117 0.009 0.000 1.550 91 I CA -0.456 60.889 61.300 0.075 0.000 1.100 91 I CB 0.314 38.395 38.000 0.135 0.000 1.216 91 I HN 0.141 nan 8.210 nan 0.000 0.481 92 T N -0.819 113.741 114.554 0.011 0.000 3.025 92 T HA -0.114 4.237 4.350 0.001 0.000 0.270 92 T C 1.577 176.246 174.700 -0.051 0.000 1.126 92 T CA 1.445 63.558 62.100 0.022 0.000 1.105 92 T CB -0.442 68.452 68.868 0.043 0.000 0.884 92 T HN 0.701 nan 8.240 nan 0.000 0.522 93 K N -0.254 120.038 120.400 -0.179 0.000 2.366 93 K HA 0.028 4.348 4.320 0.001 0.000 0.198 93 K C 1.477 177.921 176.600 -0.260 0.000 1.044 93 K CA 0.793 56.918 56.287 -0.270 0.000 0.973 93 K CB -0.375 31.872 32.500 -0.421 0.000 0.767 93 K HN 0.494 nan 8.250 nan 0.000 0.475 94 Y N 0.480 120.769 120.300 -0.019 0.000 2.464 94 Y HA 0.166 4.717 4.550 0.001 0.000 0.288 94 Y C 1.133 177.007 175.900 -0.042 0.000 1.133 94 Y CA -0.421 57.657 58.100 -0.037 0.000 1.223 94 Y CB 0.936 39.371 38.460 -0.041 0.000 1.187 94 Y HN -0.024 nan 8.280 nan 0.000 0.539 95 S N 0.066 115.838 115.700 0.119 0.000 2.536 95 S HA 0.262 4.733 4.470 0.001 0.000 0.287 95 S C 0.033 174.704 174.600 0.118 0.000 1.101 95 S CA -0.897 57.364 58.200 0.102 0.000 0.950 95 S CB 1.251 64.525 63.200 0.123 0.000 1.056 95 S HN 0.361 nan 8.310 nan 0.000 0.481 96 K N 2.370 122.819 120.400 0.081 0.000 2.374 96 K HA 0.470 4.791 4.320 0.001 0.000 0.196 96 K C 0.601 177.225 176.600 0.039 0.000 1.023 96 K CA -0.062 56.259 56.287 0.057 0.000 1.103 96 K CB 0.099 32.613 32.500 0.022 0.000 0.848 96 K HN 0.511 nan 8.250 nan 0.000 0.528 97 A N 2.286 125.138 122.820 0.054 0.000 2.567 97 A HA -0.007 4.314 4.320 0.001 0.000 0.240 97 A C 0.747 178.237 177.584 -0.156 0.000 1.053 97 A CA -0.013 51.951 52.037 -0.122 0.000 0.755 97 A CB 0.258 19.082 19.000 -0.294 0.000 0.978 97 A HN 0.389 nan 8.150 nan 0.000 0.507 98 K N 1.901 122.183 120.400 -0.196 0.000 2.103 98 K HA -0.126 4.195 4.320 0.001 0.000 0.207 98 K C 1.688 178.156 176.600 -0.220 0.000 1.048 98 K CA 1.399 57.597 56.287 -0.148 0.000 0.930 98 K CB -0.222 32.208 32.500 -0.116 0.000 0.716 98 K HN 0.576 nan 8.250 nan 0.000 0.444 99 V N 0.799 120.448 119.914 -0.442 0.000 2.828 99 V HA -0.195 3.926 4.120 0.001 0.000 0.260 99 V C 0.829 176.681 176.094 -0.403 0.000 1.101 99 V CA 1.647 63.646 62.300 -0.502 0.000 1.123 99 V CB -0.306 31.011 31.823 -0.842 0.000 0.704 99 V HN 0.189 nan 8.190 nan 0.000 0.493 100 F N 0.020 119.945 119.950 -0.041 0.000 2.682 100 F HA 0.230 4.758 4.527 0.001 0.000 0.308 100 F C 1.982 177.781 175.800 -0.002 0.000 1.093 100 F CA 0.102 58.117 58.000 0.025 0.000 1.244 100 F CB -0.533 38.488 39.000 0.036 0.000 1.052 100 F HN 0.327 nan 8.300 nan 0.000 0.573 101 E N 1.556 121.819 120.200 0.104 0.000 2.169 101 E HA -0.226 4.124 4.350 0.001 0.000 0.202 101 E C 0.352 177.048 176.600 0.160 0.000 1.016 101 E CA 1.969 58.437 56.400 0.112 0.000 0.817 101 E CB -0.564 29.197 29.700 0.102 0.000 0.736 101 E HN 0.549 nan 8.360 nan 0.000 0.462 102 H N -1.744 117.380 119.070 0.090 0.000 3.046 102 H HA 0.350 4.907 4.556 0.001 0.000 0.361 102 H C -0.762 174.601 175.328 0.058 0.000 1.235 102 H CA -1.192 54.893 56.048 0.062 0.000 1.146 102 H CB 0.480 30.261 29.762 0.031 0.000 1.859 102 H HN -0.006 nan 8.280 nan 0.000 0.548 103 I N 1.614 122.289 120.570 0.175 0.000 2.710 103 I HA 0.118 4.289 4.170 0.001 0.000 0.286 103 I C 1.443 177.648 176.117 0.145 0.000 1.181 103 I CA 1.912 63.268 61.300 0.092 0.000 1.430 103 I CB 0.664 38.695 38.000 0.052 0.000 1.367 103 I HN 1.081 nan 8.210 nan 0.000 0.577 104 G N 4.598 113.415 108.800 0.029 0.000 2.217 104 G HA2 -0.285 3.676 3.960 0.001 0.000 0.246 104 G HA3 -0.285 3.676 3.960 0.001 0.000 0.246 104 G C 0.453 175.348 174.900 -0.009 0.000 0.990 104 G CA -0.113 45.007 45.100 0.034 0.000 0.627 104 G HN 0.632 nan 8.290 nan 0.000 0.522 105 K N 1.537 121.827 120.400 -0.183 0.000 2.412 105 K HA 0.362 4.682 4.320 0.001 0.000 0.284 105 K C 0.216 176.728 176.600 -0.148 0.000 1.046 105 K CA 0.088 56.195 56.287 -0.300 0.000 0.999 105 K CB 0.144 32.172 32.500 -0.786 0.000 0.941 105 K HN 0.283 nan 8.250 nan 0.000 0.474 106 K N 2.589 122.941 120.400 -0.079 0.000 2.138 106 K HA 0.288 4.609 4.320 0.001 0.000 0.263 106 K C -0.824 175.815 176.600 0.065 0.000 0.965 106 K CA -0.692 55.568 56.287 -0.045 0.000 0.868 106 K CB 2.008 34.398 32.500 -0.185 0.000 1.083 106 K HN 0.472 nan 8.250 nan 0.000 0.443 107 T N 3.490 118.168 114.554 0.206 0.000 2.928 107 T HA 0.297 4.648 4.350 0.001 0.000 0.296 107 T C -2.719 172.143 174.700 0.270 0.000 1.000 107 T CA -1.659 60.581 62.100 0.233 0.000 0.989 107 T CB 1.842 70.893 68.868 0.305 0.000 1.005 107 T HN 0.258 nan 8.240 nan 0.000 0.442 108 P HA 0.318 nan 4.420 nan 0.000 0.266 108 P C -0.631 176.864 177.300 0.326 0.000 1.195 108 P CA -0.254 63.017 63.100 0.286 0.000 0.768 108 P CB 0.249 32.105 31.700 0.260 0.000 0.838 109 I N -0.968 119.740 120.570 0.229 0.000 2.865 109 I HA 0.902 5.073 4.170 0.001 0.000 0.302 109 I C -1.313 174.854 176.117 0.082 0.000 1.140 109 I CA -1.534 59.756 61.300 -0.017 0.000 1.021 109 I CB 2.647 40.410 38.000 -0.394 0.000 1.233 109 I HN 0.220 nan 8.210 nan 0.000 0.427 110 A N 4.096 126.869 122.820 -0.079 0.000 2.365 110 A HA 0.892 5.212 4.320 0.001 0.000 0.318 110 A C -1.011 176.397 177.584 -0.293 0.000 1.091 110 A CA -0.635 51.304 52.037 -0.164 0.000 0.763 110 A CB 1.785 20.802 19.000 0.029 0.000 1.248 110 A HN 0.600 nan 8.150 nan 0.000 0.442 111 V N 1.532 121.174 119.914 -0.453 0.000 2.876 111 V HA 0.719 4.839 4.120 0.001 0.000 0.312 111 V C -0.182 175.595 176.094 -0.528 0.000 1.085 111 V CA -0.710 61.289 62.300 -0.501 0.000 0.945 111 V CB 2.134 33.596 31.823 -0.601 0.000 1.017 111 V HN 0.990 nan 8.190 nan 0.000 0.428 112 R N 2.108 122.233 120.500 -0.626 0.000 2.538 112 R HA 0.652 4.992 4.340 0.001 0.000 0.292 112 R C -1.975 173.891 176.300 -0.722 0.000 1.008 112 R CA -0.408 55.401 56.100 -0.486 0.000 0.896 112 R CB 1.530 31.776 30.300 -0.089 0.000 1.187 112 R HN 0.567 nan 8.270 nan 0.000 0.440 113 F N 1.588 121.308 119.950 -0.383 0.000 2.483 113 F HA 0.634 5.162 4.527 0.001 0.000 0.329 113 F C 0.479 176.138 175.800 -0.235 0.000 1.064 113 F CA -0.128 57.558 58.000 -0.522 0.000 0.986 113 F CB 2.229 40.436 39.000 -1.321 0.000 1.218 113 F HN 0.692 nan 8.300 nan 0.000 0.484 114 S N -1.223 114.587 115.700 0.182 0.000 2.643 114 S HA 0.559 5.029 4.470 0.001 0.000 0.266 114 S C -0.685 174.105 174.600 0.317 0.000 1.130 114 S CA -0.629 57.743 58.200 0.287 0.000 0.817 114 S CB 1.104 64.492 63.200 0.312 0.000 1.107 114 S HN 0.755 nan 8.310 nan 0.000 0.471 115 T N -1.393 113.293 114.554 0.219 0.000 2.990 115 T HA 0.788 5.138 4.350 0.001 0.000 0.296 115 T C 0.806 175.454 174.700 -0.088 0.000 1.189 115 T CA 0.241 62.404 62.100 0.106 0.000 0.938 115 T CB 0.103 69.016 68.868 0.075 0.000 1.994 115 T HN 0.958 nan 8.240 nan 0.000 0.584 116 V N -0.552 119.268 119.914 -0.156 0.000 3.629 116 V HA 0.392 4.513 4.120 0.001 0.000 0.194 116 V C 2.746 178.725 176.094 -0.192 0.000 1.343 116 V CA 0.423 62.524 62.300 -0.332 0.000 1.292 116 V CB -0.892 30.768 31.823 -0.270 0.000 1.287 116 V HN 0.946 nan 8.190 nan 0.000 0.554 117 A N 0.881 123.599 122.820 -0.170 0.000 1.897 117 A HA 0.242 4.563 4.320 0.001 0.000 0.215 117 A C 1.595 179.105 177.584 -0.123 0.000 1.181 117 A CA 1.372 53.300 52.037 -0.182 0.000 0.620 117 A CB -1.117 17.747 19.000 -0.226 0.000 0.821 117 A HN 0.663 nan 8.150 nan 0.000 0.443 118 G N 0.079 108.829 108.800 -0.083 0.000 2.491 118 G HA2 0.412 4.372 3.960 0.001 0.000 0.238 118 G HA3 0.412 4.372 3.960 0.001 0.000 0.238 118 G C -0.287 174.602 174.900 -0.018 0.000 1.277 118 G CA -0.252 44.819 45.100 -0.049 0.000 0.851 118 G HN 0.458 nan 8.290 nan 0.000 0.573 119 E N 0.009 120.203 120.200 -0.010 0.000 2.359 119 E HA 0.386 4.737 4.350 0.001 0.000 0.255 119 E C 0.498 177.121 176.600 0.038 0.000 1.191 119 E CA -0.366 56.043 56.400 0.016 0.000 0.952 119 E CB 0.467 30.177 29.700 0.016 0.000 1.152 119 E HN 0.334 nan 8.360 nan 0.000 0.496 120 S N 0.200 115.931 115.700 0.053 0.000 2.537 120 S HA 0.377 4.847 4.470 0.001 0.000 0.286 120 S C 1.050 175.676 174.600 0.043 0.000 1.299 120 S CA 0.554 58.791 58.200 0.062 0.000 1.067 120 S CB 0.292 63.536 63.200 0.074 0.000 0.864 120 S HN 0.783 nan 8.310 nan 0.000 0.494 121 G N 2.324 111.147 108.800 0.038 0.000 2.284 121 G HA2 -0.275 3.686 3.960 0.001 0.000 0.216 121 G HA3 -0.275 3.686 3.960 0.001 0.000 0.216 121 G C 0.329 175.244 174.900 0.025 0.000 1.009 121 G CA -0.067 45.048 45.100 0.025 0.000 0.625 121 G HN 1.135 nan 8.290 nan 0.000 0.501 122 S N 0.891 116.608 115.700 0.028 0.000 2.580 122 S HA 0.676 5.147 4.470 0.001 0.000 0.266 122 S C 0.783 175.402 174.600 0.032 0.000 1.354 122 S CA 0.620 58.833 58.200 0.021 0.000 1.008 122 S CB 1.491 64.698 63.200 0.012 0.000 0.898 122 S HN 1.968 nan 8.310 nan 0.000 0.555 123 A N 0.752 123.587 122.820 0.024 0.000 2.351 123 A HA 0.351 4.672 4.320 0.001 0.000 0.257 123 A C 0.753 178.363 177.584 0.044 0.000 1.087 123 A CA -0.504 51.551 52.037 0.030 0.000 0.798 123 A CB -0.078 18.930 19.000 0.013 0.000 1.033 123 A HN 0.894 nan 8.150 nan 0.000 0.488 124 D N 0.306 120.743 120.400 0.062 0.000 2.149 124 D HA -0.033 4.607 4.640 0.001 0.000 0.206 124 D C 1.240 177.568 176.300 0.046 0.000 0.967 124 D CA 2.100 56.148 54.000 0.080 0.000 0.848 124 D CB -0.315 40.551 40.800 0.110 0.000 0.998 124 D HN 0.678 nan 8.370 nan 0.000 0.474 125 T N 0.495 115.055 114.554 0.011 0.000 3.842 125 T HA 0.380 4.730 4.350 0.001 0.000 0.267 125 T C 0.273 174.954 174.700 -0.032 0.000 1.173 125 T CA -0.549 61.529 62.100 -0.036 0.000 1.142 125 T CB -0.786 68.001 68.868 -0.135 0.000 1.191 125 T HN -0.050 nan 8.240 nan 0.000 0.895 126 V N -0.078 119.829 119.914 -0.012 0.000 3.078 126 V HA 0.739 4.860 4.120 0.001 0.000 0.311 126 V C -0.141 175.935 176.094 -0.030 0.000 1.138 126 V CA -1.979 60.307 62.300 -0.023 0.000 1.007 126 V CB 1.856 33.666 31.823 -0.021 0.000 1.045 126 V HN 0.596 nan 8.190 nan 0.000 0.432 127 R N 1.858 122.321 120.500 -0.061 0.000 2.404 127 R HA 0.556 4.896 4.340 0.001 0.000 0.315 127 R C -0.808 175.433 176.300 -0.097 0.000 1.032 127 R CA 0.996 57.031 56.100 -0.109 0.000 0.992 127 R CB -0.559 29.619 30.300 -0.204 0.000 0.959 127 R HN 1.060 nan 8.270 nan 0.000 0.428 128 D N 3.797 124.173 120.400 -0.041 0.000 2.951 128 D HA 0.171 4.811 4.640 0.001 0.000 0.262 128 D C -2.861 173.492 176.300 0.088 0.000 1.110 128 D CA -0.858 53.150 54.000 0.014 0.000 0.724 128 D CB 1.437 42.231 40.800 -0.008 0.000 1.516 128 D HN 0.275 nan 8.370 nan 0.000 0.447 129 P HA 0.316 nan 4.420 nan 0.000 0.274 129 P C -0.700 176.729 177.300 0.215 0.000 1.260 129 P CA -0.469 62.757 63.100 0.209 0.000 0.793 129 P CB 0.540 32.420 31.700 0.301 0.000 1.048 130 R N -0.239 120.425 120.500 0.273 0.000 2.534 130 R HA 0.500 4.840 4.340 0.001 0.000 0.301 130 R C 0.279 176.813 176.300 0.391 0.000 0.961 130 R CA -0.609 55.683 56.100 0.319 0.000 0.871 130 R CB 1.727 32.219 30.300 0.319 0.000 1.170 130 R HN 0.619 nan 8.270 nan 0.000 0.446 131 G N 1.623 110.690 108.800 0.444 0.000 2.390 131 G HA2 0.368 4.329 3.960 0.001 0.000 0.270 131 G HA3 0.368 4.329 3.960 0.001 0.000 0.270 131 G C -1.009 174.007 174.900 0.192 0.000 1.211 131 G CA -0.012 45.283 45.100 0.325 0.000 0.842 131 G HN 0.394 nan 8.290 nan 0.000 0.519 132 F N 2.733 122.624 119.950 -0.099 0.000 2.931 132 F HA 0.611 5.138 4.527 0.001 0.000 0.375 132 F C 0.104 175.655 175.800 -0.416 0.000 1.243 132 F CA -1.896 55.954 58.000 -0.250 0.000 1.206 132 F CB 0.726 39.715 39.000 -0.018 0.000 1.643 132 F HN 0.643 nan 8.300 nan 0.000 0.593 133 A N 3.745 126.320 122.820 -0.407 0.000 2.301 133 A HA 0.794 5.115 4.320 0.001 0.000 0.312 133 A C -1.175 175.845 177.584 -0.940 0.000 1.182 133 A CA -0.451 51.069 52.037 -0.861 0.000 0.826 133 A CB 0.965 19.017 19.000 -1.579 0.000 1.134 133 A HN 0.347 nan 8.150 nan 0.000 0.501 134 V N 2.409 121.834 119.914 -0.816 0.000 2.604 134 V HA 0.503 4.623 4.120 0.001 0.000 0.305 134 V C -0.057 175.691 176.094 -0.576 0.000 1.043 134 V CA -0.758 61.097 62.300 -0.743 0.000 0.888 134 V CB 1.784 33.035 31.823 -0.954 0.000 0.995 134 V HN 0.911 nan 8.190 nan 0.000 0.429 135 K N 3.864 123.995 120.400 -0.447 0.000 2.483 135 K HA 0.571 4.892 4.320 0.001 0.000 0.256 135 K C -1.785 174.447 176.600 -0.613 0.000 0.961 135 K CA -0.480 55.584 56.287 -0.372 0.000 0.873 135 K CB 0.888 33.204 32.500 -0.306 0.000 1.107 135 K HN 0.479 nan 8.250 nan 0.000 0.432 136 F N 4.073 123.746 119.950 -0.461 0.000 2.391 136 F HA 0.270 4.798 4.527 0.001 0.000 0.359 136 F C -0.341 175.296 175.800 -0.272 0.000 1.122 136 F CA -0.702 57.120 58.000 -0.297 0.000 1.120 136 F CB 0.511 39.381 39.000 -0.218 0.000 1.142 136 F HN 0.383 nan 8.300 nan 0.000 0.483 137 Y N 1.817 122.119 120.300 0.004 0.000 2.616 137 Y HA 0.260 4.810 4.550 0.001 0.000 0.350 137 Y C 1.057 176.877 175.900 -0.133 0.000 1.119 137 Y CA -0.631 57.383 58.100 -0.144 0.000 1.467 137 Y CB -0.124 38.114 38.460 -0.370 0.000 1.287 137 Y HN 0.588 nan 8.280 nan 0.000 0.504 138 T N -1.842 112.720 114.554 0.013 0.000 2.944 138 T HA 0.268 4.619 4.350 0.001 0.000 0.284 138 T C 0.937 175.599 174.700 -0.064 0.000 1.010 138 T CA -0.790 61.291 62.100 -0.033 0.000 1.025 138 T CB 1.341 70.163 68.868 -0.078 0.000 1.079 138 T HN 0.574 nan 8.240 nan 0.000 0.516 139 E N 0.045 120.205 120.200 -0.067 0.000 2.265 139 E HA -0.051 4.299 4.350 0.001 0.000 0.196 139 E C 0.609 177.173 176.600 -0.060 0.000 0.996 139 E CA 0.895 57.260 56.400 -0.060 0.000 0.832 139 E CB 0.033 29.706 29.700 -0.045 0.000 0.756 139 E HN 0.570 nan 8.360 nan 0.000 0.491 140 D N -0.108 120.248 120.400 -0.073 0.000 2.395 140 D HA 0.229 4.869 4.640 0.001 0.000 0.226 140 D C 0.319 176.582 176.300 -0.061 0.000 1.146 140 D CA 0.570 54.528 54.000 -0.070 0.000 0.830 140 D CB 0.374 41.119 40.800 -0.092 0.000 0.958 140 D HN 0.189 nan 8.370 nan 0.000 0.501 141 G N 0.557 109.325 108.800 -0.053 0.000 2.566 141 G HA2 -0.208 3.752 3.960 0.001 0.000 0.599 141 G HA3 -0.208 3.752 3.960 0.001 0.000 0.599 141 G C -0.538 174.345 174.900 -0.028 0.000 1.292 141 G CA -1.070 44.008 45.100 -0.038 0.000 0.922 141 G HN 0.109 nan 8.290 nan 0.000 0.514 142 N N -0.669 118.018 118.700 -0.022 0.000 2.530 142 N HA 0.536 5.276 4.740 0.001 0.000 0.277 142 N C -0.756 174.789 175.510 0.058 0.000 1.168 142 N CA -0.057 52.969 53.050 -0.039 0.000 0.979 142 N CB 1.143 39.559 38.487 -0.118 0.000 1.141 142 N HN 0.694 nan 8.380 nan 0.000 0.459 143 W N 2.267 123.478 121.300 -0.148 0.000 2.424 143 W HA 0.342 5.002 4.660 0.001 0.000 0.318 143 W C -1.443 175.043 176.519 -0.056 0.000 1.016 143 W CA -0.899 56.347 57.345 -0.164 0.000 1.268 143 W CB 0.555 29.805 29.460 -0.351 0.000 1.297 143 W HN 0.318 nan 8.180 nan 0.000 0.428 144 D N 6.007 126.284 120.400 -0.206 0.000 2.359 144 D HA 0.158 4.799 4.640 0.001 0.000 0.230 144 D C -0.780 175.187 176.300 -0.555 0.000 1.118 144 D CA -0.301 53.524 54.000 -0.291 0.000 0.844 144 D CB 1.738 42.520 40.800 -0.030 0.000 1.059 144 D HN 0.333 nan 8.370 nan 0.000 0.493 145 L N 4.349 125.107 121.223 -0.775 0.000 2.314 145 L HA 0.196 4.536 4.340 0.001 0.000 0.275 145 L C -0.707 175.890 176.870 -0.454 0.000 1.068 145 L CA -0.656 53.753 54.840 -0.719 0.000 0.894 145 L CB 0.970 42.419 42.059 -1.017 0.000 1.275 145 L HN 0.058 nan 8.230 nan 0.000 0.432 146 V N 5.548 125.274 119.914 -0.314 0.000 2.223 146 V HA 0.504 4.624 4.120 0.001 0.000 0.249 146 V C 1.125 177.132 176.094 -0.145 0.000 1.233 146 V CA 0.045 62.158 62.300 -0.312 0.000 1.131 146 V CB -0.559 31.065 31.823 -0.333 0.000 1.298 146 V HN 0.791 nan 8.190 nan 0.000 0.498 147 G N 2.861 111.596 108.800 -0.107 0.000 2.613 147 G HA2 0.589 4.549 3.960 0.001 0.000 0.303 147 G HA3 0.589 4.549 3.960 0.001 0.000 0.303 147 G C -0.608 174.323 174.900 0.052 0.000 1.312 147 G CA -0.615 44.493 45.100 0.012 0.000 1.036 147 G HN 0.490 nan 8.290 nan 0.000 0.513 148 N N -0.957 117.806 118.700 0.106 0.000 2.701 148 N HA 0.217 4.958 4.740 0.001 0.000 0.290 148 N C 0.428 176.091 175.510 0.255 0.000 1.338 148 N CA -0.775 52.405 53.050 0.217 0.000 0.799 148 N CB 1.275 39.910 38.487 0.247 0.000 1.491 148 N HN 0.526 nan 8.380 nan 0.000 0.540 149 N N -1.056 117.838 118.700 0.323 0.000 2.362 149 N HA -0.016 4.724 4.740 0.001 0.000 0.204 149 N C -0.423 175.333 175.510 0.410 0.000 1.166 149 N CA 0.086 53.356 53.050 0.368 0.000 0.831 149 N CB -0.001 38.692 38.487 0.343 0.000 1.008 149 N HN 0.409 nan 8.380 nan 0.000 0.472 150 T N -0.244 114.481 114.554 0.284 0.000 2.909 150 T HA 0.379 4.729 4.350 0.001 0.000 0.299 150 T C -2.551 171.884 174.700 -0.442 0.000 1.073 150 T CA -1.661 60.409 62.100 -0.049 0.000 0.999 150 T CB 2.393 71.244 68.868 -0.027 0.000 1.098 150 T HN -0.168 nan 8.240 nan 0.000 0.477 151 P HA 0.226 nan 4.420 nan 0.000 0.245 151 P C 0.439 177.411 177.300 -0.546 0.000 1.206 151 P CA 0.169 62.742 63.100 -0.878 0.000 0.781 151 P CB -0.066 31.034 31.700 -1.001 0.000 0.994 152 I N -5.643 114.617 120.570 -0.518 0.000 3.457 152 I HA 0.691 4.861 4.170 0.001 0.000 0.307 152 I C -1.032 174.898 176.117 -0.310 0.000 1.138 152 I CA -1.644 59.367 61.300 -0.482 0.000 0.974 152 I CB 1.755 39.301 38.000 -0.757 0.000 1.324 152 I HN -0.298 nan 8.210 nan 0.000 0.485 153 F N -0.678 118.987 119.950 -0.474 0.000 2.685 153 F HA 0.487 5.014 4.527 0.001 0.000 0.315 153 F C -0.145 175.396 175.800 -0.430 0.000 1.126 153 F CA -0.710 57.056 58.000 -0.390 0.000 0.950 153 F CB 1.910 40.838 39.000 -0.120 0.000 1.360 153 F HN 0.416 nan 8.300 nan 0.000 0.469 154 F N 2.302 121.716 119.950 -0.895 0.000 2.234 154 F HA 0.010 4.537 4.527 0.001 0.000 0.299 154 F C 0.845 176.467 175.800 -0.297 0.000 1.087 154 F CA 1.052 58.652 58.000 -0.667 0.000 1.340 154 F CB -0.306 38.069 39.000 -1.041 0.000 1.031 154 F HN 0.144 nan 8.300 nan 0.000 0.500 155 I N -1.784 118.897 120.570 0.185 0.000 3.108 155 I HA 0.491 4.662 4.170 0.001 0.000 0.312 155 I C 0.697 176.944 176.117 0.218 0.000 1.095 155 I CA -1.103 60.321 61.300 0.206 0.000 1.000 155 I CB 2.315 40.493 38.000 0.297 0.000 1.229 155 I HN -0.028 nan 8.210 nan 0.000 0.454 156 R N 0.065 120.652 120.500 0.146 0.000 2.476 156 R HA 0.372 4.712 4.340 0.001 0.000 0.276 156 R C -0.505 175.866 176.300 0.118 0.000 0.941 156 R CA -0.285 55.883 56.100 0.113 0.000 1.088 156 R CB 0.407 30.747 30.300 0.066 0.000 1.216 156 R HN 0.720 nan 8.270 nan 0.000 0.533 157 D N 0.974 121.460 120.400 0.143 0.000 2.649 157 D HA 0.254 4.894 4.640 0.001 0.000 0.249 157 D C -2.095 174.303 176.300 0.163 0.000 1.112 157 D CA -2.359 51.718 54.000 0.128 0.000 0.850 157 D CB 2.710 43.579 40.800 0.114 0.000 1.399 157 D HN -0.270 nan 8.370 nan 0.000 0.503 158 P HA -0.086 nan 4.420 nan 0.000 0.215 158 P C 1.708 179.114 177.300 0.176 0.000 1.157 158 P CA 0.697 63.871 63.100 0.123 0.000 0.874 158 P CB 0.352 32.085 31.700 0.056 0.000 0.790 159 I N -1.624 119.026 120.570 0.134 0.000 2.530 159 I HA -0.217 3.953 4.170 0.001 0.000 0.257 159 I C 1.296 177.510 176.117 0.162 0.000 1.179 159 I CA 1.177 62.552 61.300 0.123 0.000 1.440 159 I CB -0.078 37.972 38.000 0.082 0.000 1.087 159 I HN -0.111 nan 8.210 nan 0.000 0.440 160 L N -0.992 120.366 121.223 0.225 0.000 2.558 160 L HA -0.017 4.324 4.340 0.001 0.000 0.225 160 L C 1.738 178.790 176.870 0.303 0.000 1.128 160 L CA 0.631 55.640 54.840 0.282 0.000 0.868 160 L CB -0.567 41.706 42.059 0.357 0.000 1.006 160 L HN 0.145 nan 8.230 nan 0.000 0.454 161 F N 1.776 121.827 119.950 0.167 0.000 2.046 161 F HA -0.173 4.355 4.527 0.001 0.000 0.297 161 F C -0.326 175.496 175.800 0.037 0.000 1.123 161 F CA 1.834 59.946 58.000 0.187 0.000 1.199 161 F CB -1.079 38.005 39.000 0.140 0.000 0.972 161 F HN 0.112 nan 8.300 nan 0.000 0.474 162 P HA -0.194 nan 4.420 nan 0.000 0.216 162 P C 1.835 178.768 177.300 -0.613 0.000 1.157 162 P CA 2.551 65.446 63.100 -0.343 0.000 0.880 162 P CB -0.105 31.443 31.700 -0.253 0.000 0.791 163 S N -1.199 114.279 115.700 -0.371 0.000 2.351 163 S HA -0.211 4.260 4.470 0.001 0.000 0.220 163 S C 1.660 175.911 174.600 -0.580 0.000 1.035 163 S CA 1.356 59.350 58.200 -0.345 0.000 1.031 163 S CB -1.435 61.708 63.200 -0.095 0.000 0.928 163 S HN 0.181 nan 8.310 nan 0.000 0.433 164 F N 2.280 121.708 119.950 -0.871 0.000 2.043 164 F HA -0.247 4.281 4.527 0.001 0.000 0.297 164 F C 1.998 177.318 175.800 -0.799 0.000 1.118 164 F CA 1.456 58.768 58.000 -1.147 0.000 1.202 164 F CB -0.194 38.449 39.000 -0.596 0.000 0.965 164 F HN 0.107 nan 8.300 nan 0.000 0.482 165 I N 0.595 120.579 120.570 -0.977 0.000 2.163 165 I HA -0.342 3.828 4.170 0.001 0.000 0.243 165 I C 2.410 178.194 176.117 -0.554 0.000 1.085 165 I CA 1.857 62.620 61.300 -0.894 0.000 1.347 165 I CB -1.894 35.694 38.000 -0.685 0.000 1.044 165 I HN 0.374 nan 8.210 nan 0.000 0.408 166 H N 0.507 119.273 119.070 -0.507 0.000 2.353 166 H HA -0.167 4.389 4.556 0.001 0.000 0.298 166 H C 2.452 177.526 175.328 -0.423 0.000 1.103 166 H CA 1.673 57.497 56.048 -0.373 0.000 1.293 166 H CB 0.138 29.739 29.762 -0.268 0.000 1.372 166 H HN 0.406 nan 8.280 nan 0.000 0.501 167 S N 0.390 115.838 115.700 -0.419 0.000 2.447 167 S HA -0.128 4.343 4.470 0.001 0.000 0.233 167 S C 1.848 176.112 174.600 -0.561 0.000 1.006 167 S CA 0.768 58.685 58.200 -0.472 0.000 0.957 167 S CB 0.090 62.942 63.200 -0.580 0.000 0.773 167 S HN 0.363 nan 8.310 nan 0.000 0.507 168 Q N 0.972 120.353 119.800 -0.699 0.000 2.331 168 Q HA 0.260 4.601 4.340 0.001 0.000 0.203 168 Q C 0.965 176.706 176.000 -0.432 0.000 0.944 168 Q CA 0.716 56.121 55.803 -0.664 0.000 0.892 168 Q CB 0.060 28.278 28.738 -0.866 0.000 0.983 168 Q HN 0.665 nan 8.270 nan 0.000 0.482 169 K N 0.392 120.570 120.400 -0.369 0.000 2.772 169 K HA 0.306 4.626 4.320 0.001 0.000 0.312 169 K C 0.322 176.771 176.600 -0.252 0.000 0.981 169 K CA -0.609 55.511 56.287 -0.278 0.000 1.289 169 K CB 0.379 32.735 32.500 -0.239 0.000 1.516 169 K HN -0.115 nan 8.250 nan 0.000 0.674 170 R N 1.493 121.838 120.500 -0.259 0.000 2.528 170 R HA 0.121 4.462 4.340 0.001 0.000 0.271 170 R C 0.129 176.306 176.300 -0.204 0.000 1.056 170 R CA -0.670 55.269 56.100 -0.269 0.000 1.117 170 R CB 0.322 30.350 30.300 -0.453 0.000 1.085 170 R HN 0.448 nan 8.270 nan 0.000 0.530 171 N N 2.962 121.570 118.700 -0.153 0.000 2.497 171 N HA 0.012 4.752 4.740 0.001 0.000 0.268 171 N C -1.611 173.859 175.510 -0.067 0.000 1.171 171 N CA -1.424 51.565 53.050 -0.101 0.000 0.948 171 N CB 1.051 39.499 38.487 -0.065 0.000 1.069 171 N HN 0.351 nan 8.380 nan 0.000 0.460 172 P HA -0.197 nan 4.420 nan 0.000 0.218 172 P C 0.847 178.142 177.300 -0.008 0.000 1.146 172 P CA 1.470 64.540 63.100 -0.052 0.000 0.813 172 P CB 0.518 32.167 31.700 -0.085 0.000 0.778 173 Q N -0.040 119.757 119.800 -0.006 0.000 2.252 173 Q HA -0.041 4.300 4.340 0.001 0.000 0.195 173 Q C 2.290 178.304 176.000 0.024 0.000 0.974 173 Q CA 1.618 57.422 55.803 0.003 0.000 0.846 173 Q CB -0.418 28.317 28.738 -0.005 0.000 0.943 173 Q HN 0.179 nan 8.270 nan 0.000 0.516 174 T N -2.642 111.926 114.554 0.024 0.000 2.995 174 T HA -0.158 4.193 4.350 0.001 0.000 0.269 174 T C 0.449 175.211 174.700 0.103 0.000 1.091 174 T CA 1.365 63.487 62.100 0.038 0.000 1.128 174 T CB -0.308 68.568 68.868 0.013 0.000 0.891 174 T HN 0.684 nan 8.240 nan 0.000 0.492 175 H N -0.240 118.801 119.070 -0.048 0.000 2.936 175 H HA -0.096 4.460 4.556 0.001 0.000 0.276 175 H C -0.606 174.692 175.328 -0.049 0.000 1.216 175 H CA 0.625 56.641 56.048 -0.053 0.000 1.132 175 H CB -2.198 27.538 29.762 -0.043 0.000 1.303 175 H HN 0.578 nan 8.280 nan 0.000 0.370 176 L N -0.406 120.759 121.223 -0.097 0.000 2.271 176 L HA 0.497 4.837 4.340 0.001 0.000 0.265 176 L C 0.617 177.411 176.870 -0.126 0.000 1.013 176 L CA -1.533 53.244 54.840 -0.106 0.000 0.820 176 L CB 1.002 43.035 42.059 -0.043 0.000 1.352 176 L HN -0.138 nan 8.230 nan 0.000 0.443 177 K N 0.817 121.157 120.400 -0.101 0.000 2.326 177 K HA 0.189 4.510 4.320 0.001 0.000 0.275 177 K C -0.777 175.784 176.600 -0.065 0.000 1.018 177 K CA 0.137 56.370 56.287 -0.091 0.000 0.962 177 K CB 0.228 32.699 32.500 -0.048 0.000 0.953 177 K HN 0.320 nan 8.250 nan 0.000 0.475 178 D N 3.948 124.301 120.400 -0.078 0.000 2.389 178 D HA 0.206 4.847 4.640 0.001 0.000 0.256 178 D C -1.934 174.336 176.300 -0.051 0.000 1.239 178 D CA -2.191 51.772 54.000 -0.062 0.000 0.925 178 D CB 1.318 42.074 40.800 -0.073 0.000 1.145 178 D HN 0.178 nan 8.370 nan 0.000 0.542 179 P HA -0.134 nan 4.420 nan 0.000 0.218 179 P C 0.693 178.040 177.300 0.078 0.000 1.146 179 P CA 0.808 63.913 63.100 0.008 0.000 0.813 179 P CB 0.782 32.394 31.700 -0.148 0.000 0.778 180 D N -0.743 119.661 120.400 0.007 0.000 2.097 180 D HA -0.087 4.554 4.640 0.001 0.000 0.197 180 D C 2.201 178.502 176.300 0.003 0.000 0.984 180 D CA 1.147 55.148 54.000 0.002 0.000 0.826 180 D CB -0.697 40.096 40.800 -0.012 0.000 0.973 180 D HN 0.136 nan 8.370 nan 0.000 0.460 181 M N -0.173 119.403 119.600 -0.040 0.000 2.067 181 M HA -0.162 4.318 4.480 0.001 0.000 0.260 181 M C 2.258 178.462 176.300 -0.161 0.000 1.069 181 M CA 0.944 56.195 55.300 -0.082 0.000 1.117 181 M CB -0.212 32.312 32.600 -0.128 0.000 1.334 181 M HN -0.083 nan 8.290 nan 0.000 0.407 182 V N -0.779 118.979 119.914 -0.259 0.000 2.219 182 V HA -0.302 3.818 4.120 0.001 0.000 0.248 182 V C 1.804 177.523 176.094 -0.624 0.000 1.053 182 V CA 2.286 64.234 62.300 -0.586 0.000 1.009 182 V CB -0.817 30.668 31.823 -0.563 0.000 0.636 182 V HN 0.586 nan 8.190 nan 0.000 0.445 183 W N -0.156 121.090 121.300 -0.089 0.000 2.467 183 W HA -0.047 4.614 4.660 0.001 0.000 0.275 183 W C 2.287 178.838 176.519 0.053 0.000 1.239 183 W CA 0.992 58.376 57.345 0.064 0.000 1.266 183 W CB -0.383 29.120 29.460 0.070 0.000 1.112 183 W HN 0.311 nan 8.180 nan 0.000 0.576 184 D N -0.014 120.493 120.400 0.178 0.000 2.104 184 D HA -0.268 4.372 4.640 0.001 0.000 0.194 184 D C 1.853 178.253 176.300 0.167 0.000 0.994 184 D CA 1.447 55.529 54.000 0.138 0.000 0.830 184 D CB -0.526 40.340 40.800 0.110 0.000 0.959 184 D HN 0.109 nan 8.370 nan 0.000 0.452 185 F N -0.220 119.726 119.950 -0.007 0.000 2.046 185 F HA -0.187 4.340 4.527 0.001 0.000 0.297 185 F C 1.969 177.851 175.800 0.137 0.000 1.123 185 F CA 1.647 59.653 58.000 0.010 0.000 1.199 185 F CB -0.314 38.625 39.000 -0.101 0.000 0.972 185 F HN 0.041 nan 8.300 nan 0.000 0.474 186 W N 1.130 122.477 121.300 0.078 0.000 2.318 186 W HA -0.222 4.439 4.660 0.001 0.000 0.313 186 W C 3.148 179.621 176.519 -0.077 0.000 1.221 186 W CA 2.000 59.318 57.345 -0.045 0.000 1.266 186 W CB -1.842 27.608 29.460 -0.016 0.000 1.150 186 W HN 0.284 nan 8.180 nan 0.000 0.496 187 S N -0.087 115.781 115.700 0.278 0.000 2.382 187 S HA -0.178 4.292 4.470 0.001 0.000 0.228 187 S C 1.964 176.570 174.600 0.010 0.000 1.027 187 S CA 1.415 59.685 58.200 0.118 0.000 0.991 187 S CB -0.975 62.309 63.200 0.141 0.000 0.823 187 S HN 0.272 nan 8.310 nan 0.000 0.469 188 L N 0.082 121.297 121.223 -0.013 0.000 2.240 188 L HA 0.163 4.504 4.340 0.001 0.000 0.211 188 L C 0.874 177.652 176.870 -0.154 0.000 1.106 188 L CA 0.509 55.309 54.840 -0.067 0.000 0.793 188 L CB -0.090 41.936 42.059 -0.055 0.000 0.927 188 L HN 0.144 nan 8.230 nan 0.000 0.446 189 R N 0.545 120.896 120.500 -0.248 0.000 2.477 189 R HA 0.223 4.563 4.340 0.001 0.000 0.285 189 R C -1.952 174.241 176.300 -0.178 0.000 1.415 189 R CA -2.034 53.900 56.100 -0.276 0.000 1.446 189 R CB 0.180 30.147 30.300 -0.555 0.000 1.110 189 R HN -0.029 nan 8.270 nan 0.000 0.590 190 P HA -0.116 nan 4.420 nan 0.000 0.234 190 P C 0.073 177.285 177.300 -0.146 0.000 1.162 190 P CA 0.779 63.787 63.100 -0.152 0.000 0.759 190 P CB 0.532 32.148 31.700 -0.140 0.000 0.813 191 E N 0.745 120.871 120.200 -0.124 0.000 2.153 191 E HA -0.147 4.203 4.350 0.001 0.000 0.194 191 E C 2.251 178.768 176.600 -0.139 0.000 0.988 191 E CA 1.767 58.101 56.400 -0.109 0.000 0.811 191 E CB -0.921 28.738 29.700 -0.068 0.000 0.746 191 E HN 0.406 nan 8.360 nan 0.000 0.466 192 S N 0.761 116.367 115.700 -0.157 0.000 2.442 192 S HA -0.127 4.344 4.470 0.001 0.000 0.236 192 S C 1.907 176.341 174.600 -0.278 0.000 1.007 192 S CA 0.521 58.585 58.200 -0.227 0.000 0.965 192 S CB -0.519 62.509 63.200 -0.287 0.000 0.773 192 S HN 0.174 nan 8.310 nan 0.000 0.504 193 L N 0.999 122.097 121.223 -0.209 0.000 1.991 193 L HA -0.301 4.040 4.340 0.001 0.000 0.221 193 L C 2.824 179.681 176.870 -0.022 0.000 1.079 193 L CA 2.461 57.229 54.840 -0.120 0.000 0.778 193 L CB -1.040 40.946 42.059 -0.122 0.000 0.893 193 L HN 0.506 nan 8.230 nan 0.000 0.437 194 H N -0.969 117.964 119.070 -0.228 0.000 2.251 194 H HA -0.291 4.265 4.556 0.001 0.000 0.294 194 H C 2.432 177.400 175.328 -0.601 0.000 1.078 194 H CA 1.801 57.634 56.048 -0.358 0.000 1.246 194 H CB 0.198 29.685 29.762 -0.459 0.000 1.358 194 H HN 0.212 nan 8.280 nan 0.000 0.488 195 Q N 0.555 119.961 119.800 -0.656 0.000 2.170 195 Q HA -0.093 4.247 4.340 0.001 0.000 0.203 195 Q C 2.330 177.984 176.000 -0.577 0.000 0.976 195 Q CA 1.415 56.649 55.803 -0.948 0.000 0.858 195 Q CB -0.371 27.526 28.738 -1.401 0.000 0.907 195 Q HN 0.370 nan 8.270 nan 0.000 0.433 196 V N -0.049 119.661 119.914 -0.339 0.000 2.407 196 V HA -0.244 3.877 4.120 0.001 0.000 0.248 196 V C 2.213 178.485 176.094 0.298 0.000 1.055 196 V CA 1.884 64.156 62.300 -0.047 0.000 1.049 196 V CB -0.692 31.001 31.823 -0.216 0.000 0.662 196 V HN 0.332 nan 8.190 nan 0.000 0.455 197 S N -0.445 115.446 115.700 0.319 0.000 2.368 197 S HA -0.151 4.320 4.470 0.001 0.000 0.225 197 S C 1.795 176.725 174.600 0.550 0.000 1.030 197 S CA 1.664 60.203 58.200 0.565 0.000 0.999 197 S CB -0.457 63.165 63.200 0.702 0.000 0.844 197 S HN 0.581 nan 8.310 nan 0.000 0.459 198 F N 0.892 120.795 119.950 -0.078 0.000 2.102 198 F HA -0.128 4.399 4.527 0.001 0.000 0.298 198 F C 2.313 178.105 175.800 -0.013 0.000 1.105 198 F CA 0.507 58.395 58.000 -0.185 0.000 1.239 198 F CB -0.328 38.441 39.000 -0.387 0.000 0.991 198 F HN 0.186 nan 8.300 nan 0.000 0.474 199 L N -0.181 121.160 121.223 0.197 0.000 2.043 199 L HA -0.236 4.104 4.340 0.001 0.000 0.212 199 L C 1.540 178.399 176.870 -0.017 0.000 1.075 199 L CA 1.958 56.845 54.840 0.077 0.000 0.752 199 L CB -0.954 41.162 42.059 0.096 0.000 0.891 199 L HN 0.014 nan 8.230 nan 0.000 0.432 200 F N -0.612 119.458 119.950 0.199 0.000 2.797 200 F HA 0.170 4.697 4.527 0.001 0.000 0.302 200 F C 1.756 177.656 175.800 0.167 0.000 1.130 200 F CA 0.262 58.377 58.000 0.192 0.000 1.387 200 F CB -0.579 38.559 39.000 0.229 0.000 1.107 200 F HN 0.180 nan 8.300 nan 0.000 0.577 201 S N -0.760 115.116 115.700 0.293 0.000 2.625 201 S HA 0.044 4.514 4.470 0.001 0.000 0.262 201 S C 1.207 175.884 174.600 0.128 0.000 1.223 201 S CA -0.479 57.856 58.200 0.224 0.000 0.993 201 S CB 0.485 63.850 63.200 0.274 0.000 1.051 201 S HN 0.097 nan 8.310 nan 0.000 0.562 202 D N 0.327 120.779 120.400 0.086 0.000 2.219 202 D HA -0.011 4.630 4.640 0.001 0.000 0.205 202 D C 1.784 178.112 176.300 0.047 0.000 0.970 202 D CA 0.967 54.998 54.000 0.052 0.000 0.851 202 D CB -0.283 40.534 40.800 0.029 0.000 0.943 202 D HN 0.510 nan 8.370 nan 0.000 0.488 203 R N 0.356 120.886 120.500 0.051 0.000 2.328 203 R HA 0.088 4.429 4.340 0.001 0.000 0.200 203 R C 1.937 178.271 176.300 0.057 0.000 0.983 203 R CA 0.293 56.425 56.100 0.053 0.000 1.062 203 R CB -0.152 30.172 30.300 0.041 0.000 0.956 203 R HN 0.082 nan 8.270 nan 0.000 0.479 204 G N 0.995 109.820 108.800 0.043 0.000 2.471 204 G HA2 -0.104 3.857 3.960 0.001 0.000 0.219 204 G HA3 -0.104 3.857 3.960 0.001 0.000 0.219 204 G C 0.790 175.698 174.900 0.014 0.000 1.125 204 G CA 0.389 45.497 45.100 0.014 0.000 0.775 204 G HN 0.205 nan 8.290 nan 0.000 0.548 205 I N 2.048 122.632 120.570 0.023 0.000 2.714 205 I HA 0.229 4.399 4.170 0.001 0.000 0.276 205 I C -2.480 173.657 176.117 0.033 0.000 1.196 205 I CA -1.968 59.343 61.300 0.018 0.000 1.068 205 I CB 2.325 40.319 38.000 -0.009 0.000 1.291 205 I HN -0.109 nan 8.210 nan 0.000 0.530 206 P HA -0.011 nan 4.420 nan 0.000 0.272 206 P C -0.500 176.845 177.300 0.074 0.000 1.223 206 P CA -0.078 63.073 63.100 0.086 0.000 0.784 206 P CB 1.179 32.958 31.700 0.131 0.000 0.923 207 D N 1.526 121.984 120.400 0.095 0.000 2.498 207 D HA 0.308 4.948 4.640 0.001 0.000 0.229 207 D C 0.989 177.424 176.300 0.226 0.000 1.188 207 D CA 0.898 54.975 54.000 0.128 0.000 1.028 207 D CB -1.097 39.731 40.800 0.047 0.000 1.087 207 D HN 0.666 nan 8.370 nan 0.000 0.510 208 G N 3.532 112.430 108.800 0.164 0.000 2.782 208 G HA2 -0.263 3.698 3.960 0.001 0.000 0.228 208 G HA3 -0.263 3.698 3.960 0.001 0.000 0.228 208 G C 0.710 175.512 174.900 -0.163 0.000 1.372 208 G CA -0.420 44.668 45.100 -0.021 0.000 0.862 208 G HN 0.585 nan 8.290 nan 0.000 0.547 209 H N 0.434 119.401 119.070 -0.171 0.000 2.512 209 H HA 0.072 4.628 4.556 0.001 0.000 0.279 209 H C 2.725 177.843 175.328 -0.351 0.000 0.999 209 H CA 1.302 57.057 56.048 -0.487 0.000 1.283 209 H CB 0.194 29.242 29.762 -1.189 0.000 1.421 209 H HN 0.509 nan 8.280 nan 0.000 0.554 210 R N 0.211 120.631 120.500 -0.132 0.000 2.276 210 R HA 0.005 4.345 4.340 0.001 0.000 0.203 210 R C 0.256 176.338 176.300 -0.364 0.000 1.017 210 R CA 0.458 56.432 56.100 -0.209 0.000 1.010 210 R CB 0.077 30.147 30.300 -0.385 0.000 0.900 210 R HN 0.399 nan 8.270 nan 0.000 0.469 211 H N 0.254 119.351 119.070 0.046 0.000 2.507 211 H HA 0.243 4.800 4.556 0.001 0.000 0.281 211 H C -0.103 175.298 175.328 0.122 0.000 1.160 211 H CA -0.406 55.671 56.048 0.048 0.000 0.981 211 H CB 0.171 29.947 29.762 0.024 0.000 1.665 211 H HN 0.096 nan 8.280 nan 0.000 0.554 212 M N -1.869 117.914 119.600 0.304 0.000 2.618 212 M HA 0.536 5.016 4.480 0.001 0.000 0.281 212 M C -1.326 175.278 176.300 0.508 0.000 1.267 212 M CA -1.183 54.321 55.300 0.340 0.000 0.845 212 M CB 2.160 34.944 32.600 0.308 0.000 1.732 212 M HN -0.190 nan 8.290 nan 0.000 0.461 213 N N -0.073 118.847 118.700 0.367 0.000 2.448 213 N HA 0.832 5.573 4.740 0.001 0.000 0.274 213 N C -0.673 174.875 175.510 0.063 0.000 1.239 213 N CA -0.144 53.046 53.050 0.234 0.000 0.982 213 N CB 1.472 39.906 38.487 -0.088 0.000 1.199 213 N HN 0.905 nan 8.380 nan 0.000 0.576 214 G N -0.675 107.728 108.800 -0.662 0.000 2.682 214 G HA2 0.647 4.607 3.960 0.001 0.000 0.300 214 G HA3 0.647 4.607 3.960 0.001 0.000 0.300 214 G C -1.933 171.805 174.900 -1.936 0.000 1.391 214 G CA -0.358 43.985 45.100 -1.261 0.000 0.990 214 G HN 0.398 nan 8.290 nan 0.000 0.501 215 Y N -0.259 119.484 120.300 -0.928 0.000 2.562 215 Y HA 0.535 5.085 4.550 0.001 0.000 0.345 215 Y C 1.186 176.946 175.900 -0.234 0.000 1.045 215 Y CA -0.607 57.142 58.100 -0.584 0.000 1.028 215 Y CB 2.472 40.669 38.460 -0.438 0.000 1.297 215 Y HN 0.621 nan 8.280 nan 0.000 0.463 216 G N -0.294 108.621 108.800 0.192 0.000 2.712 216 G HA2 0.134 4.095 3.960 0.001 0.000 0.212 216 G HA3 0.134 4.095 3.960 0.001 0.000 0.212 216 G C 0.823 175.842 174.900 0.199 0.000 1.142 216 G CA 0.791 46.101 45.100 0.351 0.000 0.789 216 G HN 0.714 nan 8.290 nan 0.000 0.535 217 S N -0.739 114.942 115.700 -0.030 0.000 1.728 217 S HA -0.257 4.214 4.470 0.001 0.000 0.226 217 S C 0.927 175.328 174.600 -0.331 0.000 0.868 217 S CA 1.474 59.511 58.200 -0.272 0.000 1.531 217 S CB -1.253 61.733 63.200 -0.355 0.000 2.005 217 S HN 0.674 nan 8.310 nan 0.000 0.534 218 H N 2.104 121.079 119.070 -0.159 0.000 2.757 218 H HA 0.279 4.836 4.556 0.001 0.000 0.370 218 H C 0.466 175.534 175.328 -0.433 0.000 1.172 218 H CA 0.955 56.775 56.048 -0.380 0.000 1.426 218 H CB 0.111 29.453 29.762 -0.701 0.000 1.438 218 H HN 0.357 nan 8.280 nan 0.000 0.612 219 T N 3.614 117.998 114.554 -0.283 0.000 2.817 219 T HA 0.298 4.649 4.350 0.001 0.000 0.293 219 T C 0.053 174.636 174.700 -0.194 0.000 0.964 219 T CA -0.132 61.841 62.100 -0.212 0.000 1.085 219 T CB -0.005 68.850 68.868 -0.023 0.000 0.921 219 T HN 0.219 nan 8.240 nan 0.000 0.502 220 F N 1.285 121.298 119.950 0.105 0.000 2.631 220 F HA 0.624 5.151 4.527 0.001 0.000 0.350 220 F C 0.507 176.479 175.800 0.288 0.000 1.080 220 F CA -1.206 56.911 58.000 0.194 0.000 1.026 220 F CB 1.508 40.652 39.000 0.240 0.000 1.347 220 F HN 0.224 nan 8.300 nan 0.000 0.501 221 K N 1.510 122.202 120.400 0.488 0.000 2.345 221 K HA 0.646 4.966 4.320 0.001 0.000 0.255 221 K C -1.849 174.853 176.600 0.169 0.000 0.934 221 K CA -0.413 56.057 56.287 0.305 0.000 0.801 221 K CB 1.123 33.783 32.500 0.265 0.000 1.137 221 K HN 0.561 nan 8.250 nan 0.000 0.424 222 L N 4.310 125.572 121.223 0.066 0.000 2.322 222 L HA 0.552 4.892 4.340 0.001 0.000 0.281 222 L C -0.840 176.005 176.870 -0.042 0.000 1.014 222 L CA -1.279 53.581 54.840 0.034 0.000 0.815 222 L CB 1.906 43.989 42.059 0.040 0.000 1.247 222 L HN 0.338 nan 8.230 nan 0.000 0.421 223 V N 1.763 121.660 119.914 -0.028 0.000 2.604 223 V HA 0.408 4.528 4.120 0.001 0.000 0.305 223 V C -0.297 175.791 176.094 -0.010 0.000 1.043 223 V CA -0.873 61.389 62.300 -0.063 0.000 0.888 223 V CB 1.802 33.603 31.823 -0.035 0.000 0.995 223 V HN 0.897 nan 8.190 nan 0.000 0.429 224 N N 3.663 122.353 118.700 -0.017 0.000 2.538 224 N HA 0.509 5.249 4.740 0.001 0.000 0.292 224 N C 0.986 176.497 175.510 0.002 0.000 1.262 224 N CA -0.207 52.843 53.050 0.001 0.000 0.976 224 N CB 0.996 39.477 38.487 -0.011 0.000 1.161 224 N HN 0.578 nan 8.380 nan 0.000 0.598 225 A N -0.552 122.269 122.820 0.003 0.000 2.125 225 A HA -0.130 4.190 4.320 0.001 0.000 0.219 225 A C 1.275 178.860 177.584 0.000 0.000 1.156 225 A CA 1.188 53.227 52.037 0.004 0.000 0.671 225 A CB -1.164 17.838 19.000 0.003 0.000 0.794 225 A HN 0.819 nan 8.150 nan 0.000 0.459 226 N N -1.519 117.177 118.700 -0.006 0.000 2.280 226 N HA 0.289 5.030 4.740 0.001 0.000 0.192 226 N C 0.920 176.430 175.510 -0.000 0.000 1.109 226 N CA 0.375 53.420 53.050 -0.007 0.000 0.855 226 N CB 0.287 38.764 38.487 -0.018 0.000 0.974 226 N HN 0.545 nan 8.380 nan 0.000 0.482 227 G N 1.214 110.021 108.800 0.011 0.000 2.143 227 G HA2 -0.272 3.688 3.960 0.001 0.000 0.249 227 G HA3 -0.272 3.688 3.960 0.001 0.000 0.249 227 G C -0.286 174.640 174.900 0.043 0.000 0.981 227 G CA -0.119 45.010 45.100 0.049 0.000 0.665 227 G HN 0.371 nan 8.290 nan 0.000 0.528 228 E N 0.232 120.408 120.200 -0.040 0.000 2.301 228 E HA 0.644 4.994 4.350 0.001 0.000 0.275 228 E C 0.385 176.839 176.600 -0.245 0.000 1.030 228 E CA 0.174 56.500 56.400 -0.123 0.000 0.852 228 E CB 1.482 31.121 29.700 -0.101 0.000 1.060 228 E HN 0.695 nan 8.360 nan 0.000 0.401 229 A N 1.986 124.513 122.820 -0.489 0.000 2.413 229 A HA 0.745 5.065 4.320 0.001 0.000 0.307 229 A C -0.628 176.624 177.584 -0.554 0.000 1.087 229 A CA -0.658 51.009 52.037 -0.615 0.000 0.750 229 A CB 1.336 19.644 19.000 -1.152 0.000 1.296 229 A HN 0.436 nan 8.150 nan 0.000 0.423 230 V N -1.917 117.837 119.914 -0.268 0.000 3.182 230 V HA 0.827 4.948 4.120 0.001 0.000 0.308 230 V C -1.361 174.685 176.094 -0.080 0.000 1.240 230 V CA -1.034 61.209 62.300 -0.096 0.000 1.063 230 V CB 1.174 32.988 31.823 -0.015 0.000 1.076 230 V HN 0.808 nan 8.190 nan 0.000 0.446 231 Y N 0.449 120.898 120.300 0.249 0.000 2.496 231 Y HA 0.880 5.430 4.550 0.001 0.000 0.331 231 Y C 0.561 176.599 175.900 0.230 0.000 1.140 231 Y CA -0.114 58.137 58.100 0.252 0.000 1.166 231 Y CB 1.770 40.398 38.460 0.280 0.000 1.249 231 Y HN 1.279 nan 8.280 nan 0.000 0.479 232 C N -0.029 119.496 119.300 0.375 0.000 3.332 232 C HA 0.818 5.279 4.460 0.001 0.000 0.329 232 C C -1.694 173.149 174.990 -0.246 0.000 1.434 232 C CA -1.202 57.868 59.018 0.087 0.000 1.314 232 C CB 2.039 29.666 27.740 -0.188 0.000 1.664 232 C HN 0.723 nan 8.230 nan 0.000 0.457 233 K N 0.375 120.538 120.400 -0.395 0.000 2.426 233 K HA 0.709 5.030 4.320 0.001 0.000 0.251 233 K C -1.899 174.551 176.600 -0.250 0.000 0.941 233 K CA -0.160 55.884 56.287 -0.405 0.000 0.808 233 K CB 1.854 34.069 32.500 -0.474 0.000 1.265 233 K HN 0.722 nan 8.250 nan 0.000 0.432 234 F N 1.752 121.752 119.950 0.084 0.000 2.467 234 F HA 0.395 4.922 4.527 0.001 0.000 0.336 234 F C 0.506 176.283 175.800 -0.039 0.000 1.123 234 F CA -0.400 57.632 58.000 0.053 0.000 0.964 234 F CB 1.293 40.364 39.000 0.119 0.000 1.136 234 F HN 0.274 nan 8.300 nan 0.000 0.447 235 H N 3.302 122.401 119.070 0.049 0.000 2.679 235 H HA 0.365 4.922 4.556 0.001 0.000 0.360 235 H C -1.555 173.768 175.328 -0.009 0.000 1.105 235 H CA -0.888 55.129 56.048 -0.052 0.000 1.196 235 H CB 2.345 32.165 29.762 0.096 0.000 1.636 235 H HN 0.663 nan 8.280 nan 0.000 0.531 236 Y N 0.698 120.922 120.300 -0.127 0.000 2.402 236 Y HA 0.352 4.903 4.550 0.001 0.000 0.325 236 Y C -0.535 175.509 175.900 0.239 0.000 1.009 236 Y CA -1.346 56.787 58.100 0.056 0.000 1.278 236 Y CB 0.789 39.244 38.460 -0.009 0.000 1.105 236 Y HN 0.164 nan 8.280 nan 0.000 0.476 237 K N 1.937 122.598 120.400 0.435 0.000 2.249 237 K HA 0.173 4.494 4.320 0.001 0.000 0.280 237 K C 0.189 177.004 176.600 0.358 0.000 1.033 237 K CA -0.431 56.070 56.287 0.356 0.000 0.946 237 K CB 1.802 34.492 32.500 0.316 0.000 1.005 237 K HN 0.790 nan 8.250 nan 0.000 0.469 238 T N 1.637 116.308 114.554 0.195 0.000 2.867 238 T HA -0.004 4.347 4.350 0.001 0.000 0.297 238 T C 0.397 174.937 174.700 -0.267 0.000 0.989 238 T CA -0.224 61.638 62.100 -0.396 0.000 1.159 238 T CB 0.061 68.811 68.868 -0.197 0.000 0.928 238 T HN 0.297 nan 8.240 nan 0.000 0.538 239 D N 3.880 124.037 120.400 -0.406 0.000 2.349 239 D HA 0.036 4.676 4.640 0.001 0.000 0.224 239 D C 1.470 177.662 176.300 -0.180 0.000 1.029 239 D CA 0.520 54.408 54.000 -0.187 0.000 0.879 239 D CB 0.427 41.147 40.800 -0.133 0.000 0.906 239 D HN 0.607 nan 8.370 nan 0.000 0.528 240 Q N -0.094 119.543 119.800 -0.271 0.000 2.384 240 Q HA 0.337 4.678 4.340 0.001 0.000 0.207 240 Q C 0.755 176.784 176.000 0.048 0.000 0.904 240 Q CA 0.232 55.938 55.803 -0.161 0.000 0.933 240 Q CB 0.899 29.397 28.738 -0.400 0.000 1.077 240 Q HN 0.177 nan 8.270 nan 0.000 0.522 241 G N 0.728 109.544 108.800 0.026 0.000 2.722 241 G HA2 -0.177 3.784 3.960 0.001 0.000 0.686 241 G HA3 -0.177 3.784 3.960 0.001 0.000 0.686 241 G C -0.688 174.313 174.900 0.168 0.000 1.282 241 G CA -0.925 44.230 45.100 0.091 0.000 0.817 241 G HN 0.066 nan 8.290 nan 0.000 0.605 242 I N 1.326 121.966 120.570 0.116 0.000 2.598 242 I HA 0.296 4.466 4.170 0.001 0.000 0.284 242 I C 0.782 176.937 176.117 0.063 0.000 1.140 242 I CA 0.688 62.060 61.300 0.120 0.000 1.420 242 I CB 1.000 39.055 38.000 0.091 0.000 1.387 242 I HN 0.644 nan 8.210 nan 0.000 0.553 243 K N 6.336 126.768 120.400 0.054 0.000 2.565 243 K HA 0.401 4.721 4.320 0.001 0.000 0.249 243 K C -1.127 175.461 176.600 -0.019 0.000 0.958 243 K CA -0.615 55.617 56.287 -0.091 0.000 0.806 243 K CB 1.617 33.837 32.500 -0.466 0.000 1.194 243 K HN 0.551 nan 8.250 nan 0.000 0.434 244 N N 3.422 122.109 118.700 -0.020 0.000 2.402 244 N HA 0.502 5.243 4.740 0.001 0.000 0.294 244 N C -0.885 174.613 175.510 -0.020 0.000 1.203 244 N CA -0.595 52.456 53.050 0.001 0.000 0.838 244 N CB 1.424 39.919 38.487 0.014 0.000 1.306 244 N HN 0.387 nan 8.380 nan 0.000 0.510 245 L N 0.701 121.912 121.223 -0.019 0.000 2.325 245 L HA 0.384 4.725 4.340 0.001 0.000 0.278 245 L C 0.869 177.721 176.870 -0.030 0.000 1.023 245 L CA -0.765 54.050 54.840 -0.042 0.000 0.811 245 L CB 1.596 43.607 42.059 -0.079 0.000 1.249 245 L HN 0.605 nan 8.230 nan 0.000 0.431 246 S N 1.114 116.795 115.700 -0.030 0.000 2.603 246 S HA 0.208 4.679 4.470 0.001 0.000 0.268 246 S C 1.201 175.792 174.600 -0.016 0.000 1.317 246 S CA -0.901 57.291 58.200 -0.014 0.000 1.012 246 S CB 1.514 64.707 63.200 -0.012 0.000 0.926 246 S HN 0.337 nan 8.310 nan 0.000 0.539 247 V N 2.061 121.977 119.914 0.003 0.000 2.252 247 V HA -0.231 3.890 4.120 0.001 0.000 0.249 247 V C 2.627 178.719 176.094 -0.004 0.000 1.056 247 V CA 2.556 64.861 62.300 0.009 0.000 1.022 247 V CB -1.511 30.333 31.823 0.035 0.000 0.641 247 V HN 0.913 nan 8.190 nan 0.000 0.445 248 E N 0.384 120.584 120.200 -0.001 0.000 2.065 248 E HA -0.240 4.111 4.350 0.001 0.000 0.201 248 E C 1.999 178.583 176.600 -0.027 0.000 1.016 248 E CA 1.812 58.208 56.400 -0.007 0.000 0.818 248 E CB -0.480 29.218 29.700 -0.002 0.000 0.749 248 E HN 0.611 nan 8.360 nan 0.000 0.453 249 D N 0.002 120.378 120.400 -0.041 0.000 2.104 249 D HA -0.156 4.485 4.640 0.001 0.000 0.194 249 D C 1.929 178.165 176.300 -0.107 0.000 0.994 249 D CA 1.587 55.543 54.000 -0.073 0.000 0.830 249 D CB -0.474 40.276 40.800 -0.083 0.000 0.959 249 D HN 0.221 nan 8.370 nan 0.000 0.452 250 A N 1.257 124.018 122.820 -0.097 0.000 1.908 250 A HA -0.138 4.183 4.320 0.001 0.000 0.218 250 A C 2.349 179.885 177.584 -0.080 0.000 1.181 250 A CA 2.609 54.580 52.037 -0.109 0.000 0.627 250 A CB -0.783 18.175 19.000 -0.070 0.000 0.818 250 A HN 0.259 nan 8.150 nan 0.000 0.445 251 A N -0.577 122.214 122.820 -0.048 0.000 1.877 251 A HA -0.173 4.148 4.320 0.001 0.000 0.216 251 A C 2.276 179.839 177.584 -0.035 0.000 1.186 251 A CA 1.783 53.802 52.037 -0.029 0.000 0.620 251 A CB -0.524 18.470 19.000 -0.010 0.000 0.822 251 A HN 0.558 nan 8.150 nan 0.000 0.443 252 R N -0.439 120.035 120.500 -0.043 0.000 2.070 252 R HA -0.082 4.258 4.340 0.001 0.000 0.232 252 R C 2.140 178.409 176.300 -0.053 0.000 1.138 252 R CA 1.710 57.786 56.100 -0.040 0.000 0.936 252 R CB -0.496 29.780 30.300 -0.040 0.000 0.839 252 R HN 0.519 nan 8.270 nan 0.000 0.429 253 L N 0.881 122.044 121.223 -0.100 0.000 2.043 253 L HA -0.220 4.121 4.340 0.001 0.000 0.212 253 L C 2.591 179.417 176.870 -0.073 0.000 1.075 253 L CA 1.801 56.563 54.840 -0.131 0.000 0.752 253 L CB -0.617 41.242 42.059 -0.332 0.000 0.891 253 L HN 0.405 nan 8.230 nan 0.000 0.432 254 S N -1.264 114.396 115.700 -0.067 0.000 2.462 254 S HA -0.262 4.208 4.470 0.001 0.000 0.243 254 S C 1.838 176.433 174.600 -0.009 0.000 1.003 254 S CA 1.368 59.551 58.200 -0.029 0.000 0.970 254 S CB -0.205 62.979 63.200 -0.026 0.000 0.762 254 S HN 0.507 nan 8.310 nan 0.000 0.510 255 Q N 1.175 120.968 119.800 -0.012 0.000 2.388 255 Q HA 0.092 4.433 4.340 0.001 0.000 0.204 255 Q C 1.894 177.898 176.000 0.007 0.000 0.946 255 Q CA 0.991 56.794 55.803 -0.001 0.000 0.880 255 Q CB -0.244 28.492 28.738 -0.003 0.000 0.997 255 Q HN 0.750 nan 8.270 nan 0.000 0.552 256 E N 0.593 120.796 120.200 0.005 0.000 2.153 256 E HA -0.130 4.221 4.350 0.001 0.000 0.194 256 E C -0.138 176.484 176.600 0.037 0.000 0.988 256 E CA 1.014 57.424 56.400 0.018 0.000 0.811 256 E CB 0.223 29.933 29.700 0.017 0.000 0.746 256 E HN 0.118 nan 8.360 nan 0.000 0.466 257 D N -1.563 118.865 120.400 0.047 0.000 2.351 257 D HA 0.118 4.759 4.640 0.001 0.000 0.235 257 D C -2.389 173.964 176.300 0.088 0.000 1.331 257 D CA -1.793 52.257 54.000 0.083 0.000 0.959 257 D CB 1.176 42.069 40.800 0.155 0.000 1.432 257 D HN -0.277 nan 8.370 nan 0.000 0.544 258 P HA 0.019 nan 4.420 nan 0.000 0.222 258 P C 0.149 177.497 177.300 0.079 0.000 1.147 258 P CA 0.793 63.925 63.100 0.053 0.000 0.790 258 P CB 0.366 32.086 31.700 0.034 0.000 0.780 259 D N -2.623 117.829 120.400 0.087 0.000 2.388 259 D HA 0.021 4.662 4.640 0.001 0.000 0.221 259 D C 1.243 177.615 176.300 0.119 0.000 1.133 259 D CA -0.344 53.709 54.000 0.089 0.000 0.831 259 D CB -0.565 40.259 40.800 0.040 0.000 0.962 259 D HN 0.182 nan 8.370 nan 0.000 0.502 260 Y N 2.231 122.534 120.300 0.005 0.000 2.173 260 Y HA -0.317 4.234 4.550 0.001 0.000 0.282 260 Y C 2.239 178.128 175.900 -0.018 0.000 1.192 260 Y CA 2.243 60.341 58.100 -0.004 0.000 1.176 260 Y CB -0.218 38.232 38.460 -0.017 0.000 0.969 260 Y HN 0.074 nan 8.280 nan 0.000 0.519 261 G N 0.313 109.167 108.800 0.090 0.000 2.433 261 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 261 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 261 G C 1.689 176.593 174.900 0.007 0.000 1.186 261 G CA 1.376 46.408 45.100 -0.113 0.000 0.779 261 G HN 0.510 nan 8.290 nan 0.000 0.543 262 I N 0.237 120.883 120.570 0.126 0.000 2.099 262 I HA -0.218 3.953 4.170 0.001 0.000 0.239 262 I C 2.837 179.037 176.117 0.139 0.000 1.066 262 I CA 1.630 63.040 61.300 0.185 0.000 1.324 262 I CB -0.372 37.718 38.000 0.149 0.000 1.037 262 I HN 0.141 nan 8.210 nan 0.000 0.401 263 R N 1.127 121.651 120.500 0.040 0.000 2.097 263 R HA -0.293 4.047 4.340 0.001 0.000 0.236 263 R C 2.054 178.365 176.300 0.017 0.000 1.135 263 R CA 2.704 58.817 56.100 0.021 0.000 0.934 263 R CB -0.511 29.759 30.300 -0.050 0.000 0.846 263 R HN 0.383 nan 8.270 nan 0.000 0.431 264 D N -0.330 119.973 120.400 -0.163 0.000 2.126 264 D HA -0.242 4.398 4.640 0.001 0.000 0.190 264 D C 1.941 178.228 176.300 -0.022 0.000 1.001 264 D CA 1.740 55.628 54.000 -0.187 0.000 0.841 264 D CB -0.145 40.425 40.800 -0.384 0.000 0.949 264 D HN 0.227 nan 8.370 nan 0.000 0.446 265 L N -0.583 120.664 121.223 0.041 0.000 2.046 265 L HA -0.052 4.288 4.340 0.001 0.000 0.208 265 L C 2.028 178.992 176.870 0.157 0.000 1.077 265 L CA 1.661 56.568 54.840 0.112 0.000 0.747 265 L CB -1.034 41.141 42.059 0.193 0.000 0.896 265 L HN 0.222 nan 8.230 nan 0.000 0.432 266 F N 0.454 120.456 119.950 0.087 0.000 2.075 266 F HA -0.254 4.273 4.527 0.001 0.000 0.297 266 F C 2.377 178.233 175.800 0.094 0.000 1.113 266 F CA 1.998 60.064 58.000 0.110 0.000 1.218 266 F CB -0.390 38.674 39.000 0.108 0.000 0.984 266 F HN 0.232 nan 8.300 nan 0.000 0.472 267 N N 0.730 119.596 118.700 0.276 0.000 2.149 267 N HA -0.182 4.559 4.740 0.001 0.000 0.188 267 N C 1.964 177.503 175.510 0.050 0.000 1.019 267 N CA 1.400 54.550 53.050 0.166 0.000 0.857 267 N CB -0.874 37.694 38.487 0.136 0.000 0.997 267 N HN 0.423 nan 8.380 nan 0.000 0.426 268 A N 1.492 124.332 122.820 0.033 0.000 1.865 268 A HA -0.092 4.228 4.320 0.001 0.000 0.217 268 A C 2.336 179.929 177.584 0.014 0.000 1.191 268 A CA 1.067 53.108 52.037 0.008 0.000 0.623 268 A CB -0.714 18.291 19.000 0.009 0.000 0.826 268 A HN 0.221 nan 8.150 nan 0.000 0.444 269 I N -0.379 120.217 120.570 0.043 0.000 2.315 269 I HA -0.235 3.935 4.170 0.001 0.000 0.248 269 I C 2.853 179.012 176.117 0.070 0.000 1.117 269 I CA 0.976 62.361 61.300 0.142 0.000 1.404 269 I CB -0.346 37.692 38.000 0.063 0.000 1.071 269 I HN 0.370 nan 8.210 nan 0.000 0.419 270 A N 0.460 123.223 122.820 -0.096 0.000 2.067 270 A HA -0.151 4.169 4.320 0.001 0.000 0.219 270 A C 2.048 179.631 177.584 -0.002 0.000 1.158 270 A CA 1.935 53.924 52.037 -0.080 0.000 0.661 270 A CB -0.794 18.151 19.000 -0.091 0.000 0.801 270 A HN 0.515 nan 8.150 nan 0.000 0.452 271 T N -5.279 109.263 114.554 -0.019 0.000 3.214 271 T HA 0.456 4.806 4.350 0.001 0.000 0.264 271 T C 1.219 175.838 174.700 -0.135 0.000 1.012 271 T CA 0.896 62.971 62.100 -0.042 0.000 0.901 271 T CB 0.120 68.975 68.868 -0.021 0.000 1.070 271 T HN 1.571 nan 8.240 nan 0.000 0.561 272 G N 2.266 110.923 108.800 -0.238 0.000 2.205 272 G HA2 -0.287 3.673 3.960 0.001 0.000 0.261 272 G HA3 -0.287 3.673 3.960 0.001 0.000 0.261 272 G C 0.247 174.672 174.900 -0.792 0.000 0.980 272 G CA 0.085 44.801 45.100 -0.641 0.000 0.632 272 G HN 0.613 nan 8.290 nan 0.000 0.533 273 K N 1.250 121.424 120.400 -0.376 0.000 2.480 273 K HA 0.299 4.619 4.320 0.001 0.000 0.241 273 K C -0.272 176.252 176.600 -0.126 0.000 1.261 273 K CA -0.297 55.847 56.287 -0.237 0.000 1.193 273 K CB -0.248 32.184 32.500 -0.114 0.000 1.598 273 K HN 0.536 nan 8.250 nan 0.000 0.278 274 Y N 2.932 123.224 120.300 -0.015 0.000 2.569 274 Y HA 0.028 4.578 4.550 0.001 0.000 0.332 274 Y C -1.356 174.529 175.900 -0.025 0.000 1.120 274 Y CA -2.228 55.869 58.100 -0.006 0.000 1.416 274 Y CB -0.121 38.341 38.460 0.002 0.000 1.210 274 Y HN 0.355 nan 8.280 nan 0.000 0.528 275 P HA 0.156 nan 4.420 nan 0.000 0.277 275 P C -0.818 176.512 177.300 0.050 0.000 1.240 275 P CA -0.335 62.746 63.100 -0.032 0.000 0.798 275 P CB 1.762 33.466 31.700 0.007 0.000 0.979 276 S N 0.644 116.211 115.700 -0.221 0.000 2.579 276 S HA 0.680 5.151 4.470 0.001 0.000 0.272 276 S C -1.617 172.930 174.600 -0.087 0.000 1.141 276 S CA -0.807 57.446 58.200 0.088 0.000 0.843 276 S CB 1.532 64.772 63.200 0.067 0.000 1.122 276 S HN 0.551 nan 8.310 nan 0.000 0.468 277 W N 0.575 121.983 121.300 0.180 0.000 2.936 277 W HA 0.431 5.092 4.660 0.001 0.000 0.338 277 W C -0.897 175.745 176.519 0.204 0.000 1.121 277 W CA -0.780 56.704 57.345 0.232 0.000 1.209 277 W CB 2.537 32.209 29.460 0.353 0.000 1.420 277 W HN 0.632 nan 8.180 nan 0.000 0.516 278 T N 2.718 117.487 114.554 0.357 0.000 2.743 278 T HA 0.228 4.578 4.350 0.001 0.000 0.293 278 T C -0.733 174.053 174.700 0.144 0.000 0.945 278 T CA -0.139 62.049 62.100 0.147 0.000 1.030 278 T CB 0.474 69.330 68.868 -0.019 0.000 0.912 278 T HN 0.132 nan 8.240 nan 0.000 0.483 279 F N 4.401 124.366 119.950 0.026 0.000 2.411 279 F HA 0.506 5.034 4.527 0.001 0.000 0.355 279 F C -0.739 175.065 175.800 0.008 0.000 1.117 279 F CA -0.551 57.557 58.000 0.180 0.000 1.139 279 F CB 0.273 39.520 39.000 0.410 0.000 1.120 279 F HN 0.523 nan 8.300 nan 0.000 0.493 280 Y N 5.310 125.609 120.300 -0.002 0.000 2.662 280 Y HA 0.719 5.270 4.550 0.001 0.000 0.335 280 Y C -0.277 175.629 175.900 0.011 0.000 1.066 280 Y CA -1.322 56.806 58.100 0.048 0.000 1.116 280 Y CB 1.708 40.169 38.460 0.003 0.000 1.308 280 Y HN 0.448 nan 8.280 nan 0.000 0.502 281 I N -1.423 119.294 120.570 0.245 0.000 2.841 281 I HA 0.581 4.752 4.170 0.001 0.000 0.298 281 I C -1.744 174.416 176.117 0.073 0.000 1.304 281 I CA -1.061 60.307 61.300 0.113 0.000 1.019 281 I CB 2.483 40.493 38.000 0.017 0.000 1.282 281 I HN 0.508 nan 8.210 nan 0.000 0.432 282 Q N 3.012 122.861 119.800 0.083 0.000 2.266 282 Q HA 0.790 5.131 4.340 0.001 0.000 0.261 282 Q C -1.295 174.833 176.000 0.213 0.000 0.985 282 Q CA -1.057 54.864 55.803 0.196 0.000 0.873 282 Q CB 3.280 32.239 28.738 0.368 0.000 1.306 282 Q HN 0.592 nan 8.270 nan 0.000 0.447 283 V N 2.509 122.532 119.914 0.181 0.000 2.735 283 V HA 0.577 4.697 4.120 0.001 0.000 0.310 283 V C -0.696 175.446 176.094 0.080 0.000 1.061 283 V CA -0.762 61.572 62.300 0.057 0.000 0.913 283 V CB 1.986 33.617 31.823 -0.320 0.000 1.005 283 V HN 0.781 nan 8.190 nan 0.000 0.428 284 M N 4.119 123.708 119.600 -0.018 0.000 2.267 284 M HA 0.531 5.011 4.480 0.001 0.000 0.289 284 M C -0.232 176.104 176.300 0.061 0.000 1.043 284 M CA -0.262 54.935 55.300 -0.171 0.000 0.928 284 M CB 2.210 34.266 32.600 -0.908 0.000 1.613 284 M HN 0.886 nan 8.290 nan 0.000 0.450 285 T N 0.825 115.442 114.554 0.105 0.000 2.899 285 T HA 0.344 4.694 4.350 0.001 0.000 0.284 285 T C 0.800 175.691 174.700 0.319 0.000 1.004 285 T CA -0.476 61.737 62.100 0.188 0.000 1.043 285 T CB 0.542 69.486 68.868 0.126 0.000 1.013 285 T HN 0.533 nan 8.240 nan 0.000 0.518 286 F N 1.317 121.292 119.950 0.041 0.000 2.192 286 F HA -0.084 4.444 4.527 0.001 0.000 0.301 286 F C 2.317 178.171 175.800 0.090 0.000 1.079 286 F CA 1.029 59.098 58.000 0.114 0.000 1.303 286 F CB -1.153 37.882 39.000 0.058 0.000 1.024 286 F HN 0.549 nan 8.300 nan 0.000 0.494 287 N N -0.018 118.824 118.700 0.237 0.000 2.188 287 N HA -0.137 4.604 4.740 0.001 0.000 0.184 287 N C 1.816 177.382 175.510 0.094 0.000 1.018 287 N CA 0.934 54.064 53.050 0.134 0.000 0.858 287 N CB -0.479 38.065 38.487 0.095 0.000 0.989 287 N HN 0.442 nan 8.380 nan 0.000 0.426 288 Q N 0.305 120.162 119.800 0.095 0.000 2.123 288 Q HA 0.111 4.452 4.340 0.001 0.000 0.199 288 Q C 1.962 177.963 176.000 0.001 0.000 0.966 288 Q CA 1.101 56.945 55.803 0.068 0.000 0.845 288 Q CB -0.091 28.706 28.738 0.098 0.000 0.907 288 Q HN 0.349 nan 8.270 nan 0.000 0.439 289 A N 1.183 123.981 122.820 -0.037 0.000 2.076 289 A HA -0.195 4.125 4.320 0.001 0.000 0.220 289 A C 1.739 179.272 177.584 -0.084 0.000 1.160 289 A CA 1.240 53.179 52.037 -0.164 0.000 0.653 289 A CB -0.132 18.807 19.000 -0.101 0.000 0.801 289 A HN 0.195 nan 8.150 nan 0.000 0.455 290 E N -0.868 119.333 120.200 0.001 0.000 2.318 290 E HA -0.053 4.298 4.350 0.001 0.000 0.193 290 E C 1.888 178.495 176.600 0.011 0.000 0.998 290 E CA 1.399 57.806 56.400 0.012 0.000 0.859 290 E CB -0.316 29.405 29.700 0.035 0.000 0.812 290 E HN 0.780 nan 8.360 nan 0.000 0.492 291 T N -2.120 112.451 114.554 0.028 0.000 3.086 291 T HA 0.113 4.464 4.350 0.001 0.000 0.250 291 T C 0.546 175.255 174.700 0.015 0.000 1.074 291 T CA -0.499 61.608 62.100 0.012 0.000 0.988 291 T CB -0.532 68.347 68.868 0.018 0.000 0.988 291 T HN -0.058 nan 8.240 nan 0.000 0.530 292 F N 3.287 123.158 119.950 -0.132 0.000 2.543 292 F HA 0.281 4.809 4.527 0.001 0.000 0.375 292 F C -1.329 174.354 175.800 -0.196 0.000 1.075 292 F CA -2.267 55.638 58.000 -0.158 0.000 1.225 292 F CB 1.143 39.999 39.000 -0.239 0.000 1.099 292 F HN -0.002 nan 8.300 nan 0.000 0.561 293 P HA -0.179 nan 4.420 nan 0.000 0.218 293 P C -0.588 176.102 177.300 -1.016 0.000 1.146 293 P CA 1.632 64.149 63.100 -0.972 0.000 0.820 293 P CB 0.049 30.968 31.700 -1.302 0.000 0.778 294 F N -3.013 116.646 119.950 -0.486 0.000 2.782 294 F HA 0.394 4.922 4.527 0.001 0.000 0.366 294 F C 0.707 176.575 175.800 0.112 0.000 1.171 294 F CA -1.428 56.498 58.000 -0.124 0.000 1.064 294 F CB -0.421 38.539 39.000 -0.066 0.000 1.449 294 F HN -0.477 nan 8.300 nan 0.000 0.520 295 N N 3.104 121.995 118.700 0.317 0.000 2.401 295 N HA 0.217 4.957 4.740 0.001 0.000 0.255 295 N C -1.784 173.756 175.510 0.050 0.000 1.110 295 N CA -2.371 50.748 53.050 0.115 0.000 0.949 295 N CB 0.730 39.276 38.487 0.100 0.000 1.110 295 N HN 0.126 nan 8.380 nan 0.000 0.490 296 P HA -0.121 nan 4.420 nan 0.000 0.223 296 P C 0.181 177.205 177.300 -0.460 0.000 1.144 296 P CA 1.118 63.867 63.100 -0.585 0.000 0.783 296 P CB -0.045 31.006 31.700 -1.082 0.000 0.771 297 F N -0.549 119.365 119.950 -0.061 0.000 2.727 297 F HA 0.217 4.745 4.527 0.001 0.000 0.302 297 F C 0.938 176.710 175.800 -0.046 0.000 1.097 297 F CA -1.149 56.789 58.000 -0.103 0.000 1.330 297 F CB -0.880 38.035 39.000 -0.142 0.000 1.084 297 F HN -0.137 nan 8.300 nan 0.000 0.578 298 D N 1.450 121.902 120.400 0.087 0.000 2.339 298 D HA 0.003 4.643 4.640 0.001 0.000 0.256 298 D C 1.209 177.510 176.300 0.001 0.000 1.214 298 D CA 0.033 54.070 54.000 0.062 0.000 0.877 298 D CB 0.988 41.824 40.800 0.061 0.000 1.111 298 D HN 0.092 nan 8.370 nan 0.000 0.478 299 L N 4.076 125.296 121.223 -0.004 0.000 2.450 299 L HA -0.078 4.263 4.340 0.001 0.000 0.224 299 L C 1.979 178.774 176.870 -0.125 0.000 1.149 299 L CA 1.626 56.420 54.840 -0.076 0.000 0.816 299 L CB -0.632 41.405 42.059 -0.037 0.000 0.932 299 L HN 0.618 nan 8.230 nan 0.000 0.449 300 T N -4.280 110.217 114.554 -0.095 0.000 3.122 300 T HA 0.160 4.511 4.350 0.001 0.000 0.250 300 T C 0.614 175.261 174.700 -0.087 0.000 1.067 300 T CA -0.350 61.669 62.100 -0.135 0.000 0.966 300 T CB -0.023 68.782 68.868 -0.105 0.000 1.002 300 T HN -0.061 nan 8.240 nan 0.000 0.542 301 K N 1.933 122.278 120.400 -0.091 0.000 2.259 301 K HA 0.672 4.993 4.320 0.001 0.000 0.249 301 K C -0.216 176.368 176.600 -0.026 0.000 0.942 301 K CA -0.795 55.479 56.287 -0.022 0.000 0.816 301 K CB 2.496 35.031 32.500 0.058 0.000 1.155 301 K HN 0.190 nan 8.250 nan 0.000 0.428 302 V N -2.076 117.890 119.914 0.087 0.000 3.096 302 V HA 0.644 4.764 4.120 0.001 0.000 0.319 302 V C -1.117 175.193 176.094 0.360 0.000 1.103 302 V CA -0.981 61.343 62.300 0.039 0.000 1.016 302 V CB 1.725 33.562 31.823 0.024 0.000 1.090 302 V HN 0.552 nan 8.190 nan 0.000 0.449 303 W N 1.024 122.331 121.300 0.013 0.000 2.329 303 W HA 0.614 5.275 4.660 0.001 0.000 0.312 303 W C -2.575 174.030 176.519 0.143 0.000 1.054 303 W CA -2.812 54.580 57.345 0.078 0.000 1.245 303 W CB 0.283 29.625 29.460 -0.198 0.000 1.255 303 W HN 0.425 nan 8.180 nan 0.000 0.436 304 P HA -0.050 nan 4.420 nan 0.000 0.261 304 P C 0.803 178.260 177.300 0.261 0.000 1.183 304 P CA 0.727 63.996 63.100 0.282 0.000 0.761 304 P CB 0.587 32.462 31.700 0.291 0.000 0.785 305 H N 1.782 120.992 119.070 0.233 0.000 2.353 305 H HA -0.228 4.329 4.556 0.001 0.000 0.298 305 H C 1.969 177.357 175.328 0.099 0.000 1.103 305 H CA 1.678 57.816 56.048 0.149 0.000 1.293 305 H CB 0.109 29.919 29.762 0.081 0.000 1.372 305 H HN 0.294 nan 8.280 nan 0.000 0.501 306 K N 0.924 121.447 120.400 0.204 0.000 2.063 306 K HA -0.154 4.166 4.320 0.001 0.000 0.208 306 K C 1.268 177.875 176.600 0.011 0.000 1.048 306 K CA 2.041 58.385 56.287 0.094 0.000 0.928 306 K CB -0.174 32.372 32.500 0.077 0.000 0.713 306 K HN 0.343 nan 8.250 nan 0.000 0.442 307 D N -1.397 118.989 120.400 -0.023 0.000 2.213 307 D HA -0.082 4.558 4.640 0.001 0.000 0.205 307 D C -0.089 175.832 176.300 -0.632 0.000 0.961 307 D CA 0.922 54.732 54.000 -0.317 0.000 0.853 307 D CB 0.170 40.778 40.800 -0.320 0.000 0.967 307 D HN 0.234 nan 8.370 nan 0.000 0.496 308 Y N 0.269 120.630 120.300 0.102 0.000 2.681 308 Y HA 0.334 4.884 4.550 0.001 0.000 0.347 308 Y C -2.400 173.583 175.900 0.139 0.000 1.029 308 Y CA -2.476 55.687 58.100 0.105 0.000 1.279 308 Y CB 1.541 40.091 38.460 0.150 0.000 1.096 308 Y HN -0.214 nan 8.280 nan 0.000 0.580 309 P HA 0.033 nan 4.420 nan 0.000 0.269 309 P C -0.201 177.154 177.300 0.091 0.000 1.215 309 P CA -0.082 63.086 63.100 0.115 0.000 0.780 309 P CB 0.948 32.684 31.700 0.060 0.000 0.898 310 L N 2.888 124.102 121.223 -0.015 0.000 2.367 310 L HA 0.285 4.625 4.340 0.001 0.000 0.275 310 L C 0.371 177.250 176.870 0.015 0.000 1.129 310 L CA -0.008 54.759 54.840 -0.121 0.000 0.839 310 L CB -0.043 41.706 42.059 -0.516 0.000 1.133 310 L HN 0.240 nan 8.230 nan 0.000 0.453 311 I N 5.429 126.080 120.570 0.136 0.000 2.355 311 I HA 0.296 4.466 4.170 0.001 0.000 0.288 311 I C -2.076 174.211 176.117 0.283 0.000 0.999 311 I CA -2.114 59.294 61.300 0.180 0.000 1.163 311 I CB 1.884 39.974 38.000 0.149 0.000 1.316 311 I HN 0.352 nan 8.210 nan 0.000 0.454 312 P HA 0.058 nan 4.420 nan 0.000 0.268 312 P C 0.072 177.328 177.300 -0.074 0.000 1.204 312 P CA 0.111 63.150 63.100 -0.102 0.000 0.768 312 P CB 2.270 33.657 31.700 -0.523 0.000 0.842 313 V N 2.284 122.266 119.914 0.113 0.000 3.161 313 V HA 0.425 4.546 4.120 0.001 0.000 0.221 313 V C 1.115 177.431 176.094 0.370 0.000 1.296 313 V CA 1.340 63.839 62.300 0.331 0.000 1.306 313 V CB 0.077 32.209 31.823 0.514 0.000 1.171 313 V HN 0.821 nan 8.190 nan 0.000 0.513 314 G N -0.395 108.628 108.800 0.373 0.000 2.664 314 G HA2 0.533 4.494 3.960 0.001 0.000 0.303 314 G HA3 0.533 4.494 3.960 0.001 0.000 0.303 314 G C -1.879 173.110 174.900 0.148 0.000 1.243 314 G CA -0.415 44.759 45.100 0.123 0.000 0.826 314 G HN -0.023 nan 8.290 nan 0.000 0.498 315 K N -0.002 120.382 120.400 -0.027 0.000 2.422 315 K HA 0.554 4.875 4.320 0.001 0.000 0.251 315 K C -1.333 175.376 176.600 0.181 0.000 0.933 315 K CA -0.580 55.786 56.287 0.131 0.000 0.798 315 K CB 2.595 35.148 32.500 0.088 0.000 1.238 315 K HN 0.321 nan 8.250 nan 0.000 0.428 316 L N 2.560 123.964 121.223 0.301 0.000 2.287 316 L HA 0.509 4.849 4.340 0.001 0.000 0.287 316 L C -0.620 176.369 176.870 0.198 0.000 1.022 316 L CA -1.056 53.934 54.840 0.250 0.000 0.814 316 L CB 1.718 43.935 42.059 0.264 0.000 1.217 316 L HN 0.168 nan 8.230 nan 0.000 0.420 317 V N 4.971 124.832 119.914 -0.088 0.000 2.656 317 V HA 0.496 4.616 4.120 0.001 0.000 0.307 317 V C -0.330 175.639 176.094 -0.207 0.000 1.051 317 V CA -0.535 61.642 62.300 -0.205 0.000 0.893 317 V CB 2.493 33.896 31.823 -0.699 0.000 0.999 317 V HN 0.511 nan 8.190 nan 0.000 0.426 318 L N 4.615 125.825 121.223 -0.021 0.000 2.343 318 L HA 0.555 4.895 4.340 0.001 0.000 0.278 318 L C 0.000 176.801 176.870 -0.116 0.000 0.996 318 L CA -0.372 54.459 54.840 -0.015 0.000 0.831 318 L CB 1.699 43.846 42.059 0.146 0.000 1.232 318 L HN 0.878 nan 8.230 nan 0.000 0.413 319 N N 1.733 120.252 118.700 -0.302 0.000 2.143 319 N HA 0.111 4.851 4.740 0.001 0.000 0.229 319 N C -0.053 175.258 175.510 -0.332 0.000 1.294 319 N CA -0.507 52.091 53.050 -0.754 0.000 0.883 319 N CB 0.653 38.400 38.487 -1.234 0.000 1.148 319 N HN 0.459 nan 8.380 nan 0.000 0.511 320 R N 0.521 120.983 120.500 -0.064 0.000 2.502 320 R HA 0.365 4.706 4.340 0.001 0.000 0.298 320 R C -1.240 175.175 176.300 0.193 0.000 1.018 320 R CA -0.520 55.609 56.100 0.049 0.000 0.899 320 R CB 0.724 31.064 30.300 0.067 0.000 1.181 320 R HN -0.004 nan 8.270 nan 0.000 0.444 321 N N 3.507 122.262 118.700 0.091 0.000 2.467 321 N HA 0.285 5.025 4.740 0.001 0.000 0.262 321 N C -2.430 173.266 175.510 0.310 0.000 1.234 321 N CA -1.473 51.664 53.050 0.146 0.000 0.952 321 N CB 0.813 39.184 38.487 -0.193 0.000 1.158 321 N HN 0.381 nan 8.380 nan 0.000 0.463 322 P HA 0.110 nan 4.420 nan 0.000 0.274 322 P C 0.552 178.029 177.300 0.296 0.000 1.231 322 P CA -0.319 63.022 63.100 0.401 0.000 0.790 322 P CB 0.893 32.849 31.700 0.426 0.000 0.951 323 V N 0.603 120.620 119.914 0.171 0.000 2.685 323 V HA 0.054 4.175 4.120 0.001 0.000 0.244 323 V C 0.861 177.069 176.094 0.190 0.000 1.054 323 V CA 1.186 63.590 62.300 0.172 0.000 1.076 323 V CB -0.497 31.382 31.823 0.093 0.000 0.725 323 V HN 0.647 nan 8.190 nan 0.000 0.467 324 N N -0.991 117.816 118.700 0.178 0.000 2.540 324 N HA 0.121 4.861 4.740 0.001 0.000 0.275 324 N C 0.318 175.985 175.510 0.261 0.000 1.053 324 N CA -0.372 52.800 53.050 0.203 0.000 0.876 324 N CB 1.703 40.290 38.487 0.167 0.000 1.284 324 N HN 0.238 nan 8.380 nan 0.000 0.518 325 Y N 4.638 125.045 120.300 0.178 0.000 2.040 325 Y HA -0.323 4.227 4.550 0.001 0.000 0.275 325 Y C 1.780 177.790 175.900 0.183 0.000 1.171 325 Y CA 2.146 60.355 58.100 0.183 0.000 1.123 325 Y CB -0.268 38.286 38.460 0.157 0.000 0.963 325 Y HN 0.646 nan 8.280 nan 0.000 0.493 326 F N 0.428 120.573 119.950 0.325 0.000 2.043 326 F HA -0.321 4.206 4.527 0.001 0.000 0.297 326 F C 2.386 178.224 175.800 0.063 0.000 1.121 326 F CA 2.323 60.441 58.000 0.195 0.000 1.199 326 F CB -0.902 38.197 39.000 0.165 0.000 0.968 326 F HN 0.108 nan 8.300 nan 0.000 0.478 327 A N -0.750 122.216 122.820 0.243 0.000 2.015 327 A HA -0.148 4.173 4.320 0.001 0.000 0.219 327 A C 2.007 179.582 177.584 -0.016 0.000 1.163 327 A CA 1.909 54.002 52.037 0.093 0.000 0.646 327 A CB -0.625 18.479 19.000 0.173 0.000 0.806 327 A HN 0.641 nan 8.150 nan 0.000 0.448 328 E N -1.399 118.805 120.200 0.008 0.000 2.290 328 E HA 0.086 4.436 4.350 0.001 0.000 0.197 328 E C 1.522 178.111 176.600 -0.020 0.000 0.948 328 E CA 0.665 57.105 56.400 0.066 0.000 0.895 328 E CB 0.407 30.222 29.700 0.192 0.000 0.865 328 E HN 0.403 nan 8.360 nan 0.000 0.486 329 V N 0.417 120.174 119.914 -0.262 0.000 2.743 329 V HA -0.047 4.073 4.120 0.001 0.000 0.237 329 V C 2.038 177.865 176.094 -0.444 0.000 1.113 329 V CA 0.882 62.900 62.300 -0.469 0.000 1.141 329 V CB -0.002 31.227 31.823 -0.989 0.000 0.873 329 V HN 0.022 nan 8.190 nan 0.000 0.486 330 E N 0.935 120.839 120.200 -0.492 0.000 2.110 330 E HA -0.222 4.129 4.350 0.001 0.000 0.193 330 E C 2.164 178.553 176.600 -0.351 0.000 0.988 330 E CA 1.651 57.872 56.400 -0.297 0.000 0.804 330 E CB -0.175 29.395 29.700 -0.217 0.000 0.745 330 E HN 0.614 nan 8.360 nan 0.000 0.458 331 Q N -0.286 119.241 119.800 -0.455 0.000 2.432 331 Q HA 0.099 4.439 4.340 0.001 0.000 0.205 331 Q C 0.742 176.580 176.000 -0.271 0.000 0.945 331 Q CA -0.141 55.441 55.803 -0.368 0.000 0.924 331 Q CB 0.165 28.682 28.738 -0.368 0.000 1.016 331 Q HN 0.376 nan 8.270 nan 0.000 0.503 332 I N 0.908 121.312 120.570 -0.276 0.000 2.948 332 I HA 0.007 4.177 4.170 0.001 0.000 0.290 332 I C -0.638 175.195 176.117 -0.473 0.000 1.226 332 I CA -0.027 61.056 61.300 -0.361 0.000 1.413 332 I CB 0.525 38.282 38.000 -0.405 0.000 1.352 332 I HN -0.018 nan 8.210 nan 0.000 0.597 333 A N 7.041 129.458 122.820 -0.671 0.000 2.408 333 A HA 0.672 4.992 4.320 0.001 0.000 0.295 333 A C -1.443 175.731 177.584 -0.683 0.000 1.040 333 A CA -0.428 51.167 52.037 -0.737 0.000 0.707 333 A CB 0.729 19.118 19.000 -1.018 0.000 1.235 333 A HN 0.543 nan 8.150 nan 0.000 0.418 334 F N 1.494 121.418 119.950 -0.044 0.000 2.458 334 F HA 0.501 5.029 4.527 0.001 0.000 0.336 334 F C -0.265 175.633 175.800 0.163 0.000 1.114 334 F CA -0.396 57.598 58.000 -0.009 0.000 0.987 334 F CB 2.237 41.178 39.000 -0.098 0.000 1.130 334 F HN 0.419 nan 8.300 nan 0.000 0.458 335 D N 4.881 125.409 120.400 0.213 0.000 2.471 335 D HA 0.239 4.879 4.640 0.001 0.000 0.245 335 D C -2.046 174.238 176.300 -0.026 0.000 1.116 335 D CA -1.528 52.559 54.000 0.145 0.000 0.853 335 D CB 2.138 43.073 40.800 0.226 0.000 1.123 335 D HN 0.156 nan 8.370 nan 0.000 0.540 336 P HA -0.168 nan 4.420 nan 0.000 0.217 336 P C 1.402 178.717 177.300 0.025 0.000 1.148 336 P CA 1.122 64.136 63.100 -0.143 0.000 0.828 336 P CB 0.270 31.797 31.700 -0.288 0.000 0.783 337 S N -1.964 113.755 115.700 0.031 0.000 2.507 337 S HA -0.099 4.371 4.470 0.001 0.000 0.235 337 S C 0.856 175.514 174.600 0.098 0.000 0.988 337 S CA 0.409 58.658 58.200 0.081 0.000 0.944 337 S CB -1.398 61.854 63.200 0.086 0.000 0.762 337 S HN 0.233 nan 8.310 nan 0.000 0.526 338 N N 1.723 120.482 118.700 0.099 0.000 2.549 338 N HA 0.323 5.064 4.740 0.001 0.000 0.267 338 N C -1.019 174.603 175.510 0.186 0.000 1.182 338 N CA 0.116 53.231 53.050 0.108 0.000 1.019 338 N CB 0.049 38.585 38.487 0.082 0.000 1.380 338 N HN 0.401 nan 8.380 nan 0.000 0.505 339 M N 2.147 121.821 119.600 0.124 0.000 2.259 339 M HA 0.436 4.916 4.480 0.001 0.000 0.304 339 M C -2.494 173.771 176.300 -0.057 0.000 1.019 339 M CA -1.798 53.536 55.300 0.056 0.000 0.922 339 M CB 2.181 34.821 32.600 0.067 0.000 1.600 339 M HN 0.146 nan 8.290 nan 0.000 0.433 340 P HA 0.470 nan 4.420 nan 0.000 0.278 340 P C -2.681 174.521 177.300 -0.163 0.000 1.266 340 P CA -1.400 61.596 63.100 -0.174 0.000 0.807 340 P CB -0.329 31.213 31.700 -0.263 0.000 1.094 341 P HA 0.137 nan 4.420 nan 0.000 0.266 341 P C 0.868 178.114 177.300 -0.090 0.000 1.195 341 P CA 1.278 64.337 63.100 -0.067 0.000 0.768 341 P CB 0.034 31.708 31.700 -0.045 0.000 0.838 342 G N 2.083 110.855 108.800 -0.047 0.000 2.238 342 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 342 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 342 G C -0.038 174.845 174.900 -0.028 0.000 0.996 342 G CA -0.336 44.748 45.100 -0.028 0.000 0.632 342 G HN 0.486 nan 8.290 nan 0.000 0.503 343 I N 1.004 121.523 120.570 -0.086 0.000 2.499 343 I HA 0.613 4.783 4.170 0.001 0.000 0.288 343 I C -0.318 175.811 176.117 0.020 0.000 1.048 343 I CA -0.686 60.573 61.300 -0.068 0.000 1.062 343 I CB 2.044 39.835 38.000 -0.348 0.000 1.238 343 I HN 0.131 nan 8.210 nan 0.000 0.426 344 E N 3.057 123.344 120.200 0.145 0.000 2.450 344 E HA 0.769 5.120 4.350 0.001 0.000 0.272 344 E C -0.965 175.832 176.600 0.329 0.000 0.967 344 E CA -1.036 55.481 56.400 0.195 0.000 0.818 344 E CB 2.312 32.113 29.700 0.167 0.000 1.401 344 E HN 0.633 nan 8.360 nan 0.000 0.450 345 A N 0.686 123.660 122.820 0.256 0.000 2.286 345 A HA 0.584 4.905 4.320 0.001 0.000 0.286 345 A C -0.065 177.600 177.584 0.136 0.000 1.097 345 A CA -0.263 51.894 52.037 0.199 0.000 0.821 345 A CB 0.696 19.751 19.000 0.091 0.000 1.076 345 A HN 0.503 nan 8.150 nan 0.000 0.490 346 S N 0.396 116.093 115.700 -0.005 0.000 2.739 346 S HA 0.673 5.144 4.470 0.001 0.000 0.306 346 S C -2.276 172.146 174.600 -0.296 0.000 1.115 346 S CA -1.168 56.978 58.200 -0.090 0.000 0.985 346 S CB 1.421 64.544 63.200 -0.129 0.000 1.133 346 S HN 0.487 nan 8.310 nan 0.000 0.541 347 P HA 0.068 nan 4.420 nan 0.000 0.252 347 P C -0.323 176.747 177.300 -0.382 0.000 1.265 347 P CA 0.138 62.922 63.100 -0.525 0.000 0.775 347 P CB -0.586 30.709 31.700 -0.676 0.000 1.128 348 D N 1.285 121.508 120.400 -0.295 0.000 2.412 348 D HA -0.030 4.610 4.640 0.001 0.000 0.257 348 D C 1.155 177.387 176.300 -0.114 0.000 1.217 348 D CA 0.274 54.213 54.000 -0.101 0.000 0.897 348 D CB 0.805 41.565 40.800 -0.067 0.000 1.132 348 D HN 0.003 nan 8.370 nan 0.000 0.493 349 K N 3.492 123.865 120.400 -0.044 0.000 2.020 349 K HA -0.194 4.127 4.320 0.001 0.000 0.212 349 K C 2.095 178.674 176.600 -0.035 0.000 1.050 349 K CA 1.144 57.412 56.287 -0.031 0.000 0.929 349 K CB -0.122 32.390 32.500 0.020 0.000 0.714 349 K HN 0.502 nan 8.250 nan 0.000 0.443 350 M N 0.620 120.226 119.600 0.010 0.000 2.089 350 M HA -0.205 4.276 4.480 0.001 0.000 0.257 350 M C 2.399 178.643 176.300 -0.093 0.000 1.071 350 M CA 1.433 56.750 55.300 0.028 0.000 1.096 350 M CB -1.043 31.654 32.600 0.162 0.000 1.330 350 M HN 0.192 nan 8.290 nan 0.000 0.403 351 L N 0.820 121.852 121.223 -0.318 0.000 1.994 351 L HA -0.187 4.153 4.340 0.001 0.000 0.208 351 L C 2.503 179.209 176.870 -0.274 0.000 1.071 351 L CA 1.870 56.328 54.840 -0.637 0.000 0.745 351 L CB -0.974 40.533 42.059 -0.920 0.000 0.892 351 L HN 0.309 nan 8.230 nan 0.000 0.431 352 Q N -0.108 119.578 119.800 -0.189 0.000 2.133 352 Q HA -0.212 4.129 4.340 0.001 0.000 0.208 352 Q C 2.072 178.050 176.000 -0.036 0.000 0.991 352 Q CA 1.878 57.622 55.803 -0.098 0.000 0.867 352 Q CB -0.955 27.728 28.738 -0.091 0.000 0.911 352 Q HN 0.718 nan 8.270 nan 0.000 0.417 353 G N 0.801 109.581 108.800 -0.033 0.000 2.404 353 G HA2 -0.248 3.713 3.960 0.001 0.000 0.215 353 G HA3 -0.248 3.713 3.960 0.001 0.000 0.215 353 G C 1.479 176.419 174.900 0.067 0.000 1.174 353 G CA 0.507 45.622 45.100 0.024 0.000 0.780 353 G HN 0.294 nan 8.290 nan 0.000 0.537 354 R N -0.460 120.046 120.500 0.011 0.000 2.159 354 R HA -0.029 4.311 4.340 0.001 0.000 0.237 354 R C 2.343 178.726 176.300 0.139 0.000 1.131 354 R CA 0.537 56.711 56.100 0.123 0.000 0.982 354 R CB -0.439 29.876 30.300 0.025 0.000 0.868 354 R HN 0.229 nan 8.270 nan 0.000 0.453 355 L N -0.219 121.040 121.223 0.061 0.000 2.129 355 L HA -0.192 4.148 4.340 0.001 0.000 0.212 355 L C 1.923 178.888 176.870 0.158 0.000 1.087 355 L CA 1.674 56.564 54.840 0.082 0.000 0.757 355 L CB -0.594 41.501 42.059 0.060 0.000 0.896 355 L HN 0.145 nan 8.230 nan 0.000 0.434 356 F N -0.771 119.202 119.950 0.038 0.000 2.343 356 F HA 0.210 4.737 4.527 0.001 0.000 0.286 356 F C 2.265 178.082 175.800 0.028 0.000 1.057 356 F CA 0.723 58.743 58.000 0.033 0.000 1.365 356 F CB -0.495 38.510 39.000 0.007 0.000 1.114 356 F HN -0.043 nan 8.300 nan 0.000 0.545 357 A N 0.851 123.561 122.820 -0.184 0.000 1.869 357 A HA -0.265 4.055 4.320 0.001 0.000 0.218 357 A C 2.081 179.383 177.584 -0.469 0.000 1.203 357 A CA 2.339 54.140 52.037 -0.394 0.000 0.638 357 A CB -1.813 17.062 19.000 -0.209 0.000 0.831 357 A HN 0.602 nan 8.150 nan 0.000 0.450 358 Y N 0.472 120.558 120.300 -0.357 0.000 2.030 358 Y HA -0.188 4.362 4.550 0.001 0.000 0.274 358 Y C 0.172 175.715 175.900 -0.594 0.000 1.153 358 Y CA 2.196 60.021 58.100 -0.458 0.000 1.115 358 Y CB -1.474 36.872 38.460 -0.191 0.000 0.969 358 Y HN 0.344 nan 8.280 nan 0.000 0.488 359 P HA -0.156 nan 4.420 nan 0.000 0.220 359 P C 0.664 177.852 177.300 -0.188 0.000 1.148 359 P CA 2.108 65.227 63.100 0.031 0.000 0.803 359 P CB 0.012 31.821 31.700 0.181 0.000 0.782 360 D N -0.380 119.783 120.400 -0.395 0.000 2.097 360 D HA -0.141 4.500 4.640 0.001 0.000 0.195 360 D C 2.132 178.225 176.300 -0.345 0.000 0.989 360 D CA 1.676 55.404 54.000 -0.454 0.000 0.827 360 D CB -0.812 39.401 40.800 -0.977 0.000 0.966 360 D HN -0.027 nan 8.370 nan 0.000 0.456 361 T N -1.917 112.366 114.554 -0.452 0.000 2.962 361 T HA -0.110 4.240 4.350 0.001 0.000 0.270 361 T C 1.454 175.989 174.700 -0.275 0.000 1.088 361 T CA 1.309 63.201 62.100 -0.347 0.000 1.127 361 T CB -0.394 68.221 68.868 -0.422 0.000 0.883 361 T HN 0.347 nan 8.240 nan 0.000 0.493 362 H N -0.143 118.705 119.070 -0.370 0.000 2.428 362 H HA 0.172 4.728 4.556 0.001 0.000 0.296 362 H C 2.529 177.551 175.328 -0.510 0.000 1.062 362 H CA 0.690 56.352 56.048 -0.644 0.000 1.350 362 H CB 0.191 29.102 29.762 -1.420 0.000 1.403 362 H HN 0.233 nan 8.280 nan 0.000 0.533 363 R N -0.460 119.943 120.500 -0.162 0.000 2.237 363 R HA -0.112 4.228 4.340 0.001 0.000 0.219 363 R C 1.657 177.978 176.300 0.035 0.000 1.080 363 R CA 1.151 57.270 56.100 0.031 0.000 0.995 363 R CB -0.020 30.326 30.300 0.077 0.000 0.875 363 R HN 0.482 nan 8.270 nan 0.000 0.462 364 H N 1.087 120.106 119.070 -0.085 0.000 2.297 364 H HA 0.017 4.573 4.556 0.001 0.000 0.317 364 H C 2.106 177.405 175.328 -0.048 0.000 1.062 364 H CA 1.347 57.359 56.048 -0.059 0.000 1.431 364 H CB 0.090 29.807 29.762 -0.074 0.000 1.452 364 H HN 0.013 nan 8.280 nan 0.000 0.565 365 R N 0.204 120.615 120.500 -0.148 0.000 2.237 365 R HA 0.018 4.359 4.340 0.001 0.000 0.219 365 R C 1.041 177.261 176.300 -0.134 0.000 1.080 365 R CA 1.771 57.758 56.100 -0.187 0.000 0.995 365 R CB -0.097 30.196 30.300 -0.013 0.000 0.875 365 R HN 0.411 nan 8.270 nan 0.000 0.462 366 L N -1.082 120.080 121.223 -0.101 0.000 2.675 366 L HA 0.462 4.802 4.340 0.001 0.000 0.178 366 L C 0.801 177.663 176.870 -0.013 0.000 1.135 366 L CA 0.291 55.099 54.840 -0.054 0.000 0.855 366 L CB 0.491 42.523 42.059 -0.045 0.000 1.235 366 L HN 0.434 nan 8.230 nan 0.000 0.499 367 G N -1.424 107.390 108.800 0.023 0.000 2.345 367 G HA2 0.059 4.019 3.960 0.001 0.000 0.310 367 G HA3 0.059 4.019 3.960 0.001 0.000 0.310 367 G C -2.749 172.224 174.900 0.121 0.000 1.476 367 G CA -0.718 44.409 45.100 0.044 0.000 0.978 367 G HN -0.226 nan 8.290 nan 0.000 0.656 368 P HA -0.107 nan 4.420 nan 0.000 0.216 368 P C 1.011 178.318 177.300 0.011 0.000 1.157 368 P CA 1.597 64.736 63.100 0.065 0.000 0.880 368 P CB -0.011 31.696 31.700 0.013 0.000 0.791 369 N N -1.489 117.149 118.700 -0.104 0.000 2.466 369 N HA 0.035 4.775 4.740 0.001 0.000 0.251 369 N C 0.805 176.164 175.510 -0.253 0.000 1.164 369 N CA -0.315 52.516 53.050 -0.366 0.000 0.888 369 N CB -0.526 37.595 38.487 -0.610 0.000 1.177 369 N HN 0.333 nan 8.380 nan 0.000 0.498 370 Y N -1.157 119.064 120.300 -0.131 0.000 2.384 370 Y HA -0.071 4.480 4.550 0.001 0.000 0.289 370 Y C 1.180 177.037 175.900 -0.072 0.000 1.152 370 Y CA 0.715 58.759 58.100 -0.092 0.000 1.258 370 Y CB -0.278 38.134 38.460 -0.080 0.000 0.979 370 Y HN 0.140 nan 8.280 nan 0.000 0.549 371 L N 0.173 121.039 121.223 -0.596 0.000 2.552 371 L HA -0.062 4.279 4.340 0.001 0.000 0.227 371 L C 1.771 178.646 176.870 0.008 0.000 1.146 371 L CA 0.673 55.299 54.840 -0.357 0.000 0.858 371 L CB -0.615 41.202 42.059 -0.404 0.000 0.969 371 L HN 0.472 nan 8.230 nan 0.000 0.451 372 H N -0.367 118.631 119.070 -0.120 0.000 2.548 372 H HA 0.152 4.708 4.556 0.001 0.000 0.268 372 H C 0.758 176.067 175.328 -0.033 0.000 0.975 372 H CA -0.474 55.539 56.048 -0.060 0.000 1.195 372 H CB 0.434 30.172 29.762 -0.041 0.000 1.397 372 H HN 0.229 nan 8.280 nan 0.000 0.572 373 I N 2.738 123.364 120.570 0.092 0.000 2.587 373 I HA -0.057 4.113 4.170 0.001 0.000 0.284 373 I C -1.411 174.726 176.117 0.033 0.000 1.134 373 I CA -1.526 59.803 61.300 0.049 0.000 1.410 373 I CB 0.855 38.868 38.000 0.022 0.000 1.392 373 I HN -0.066 nan 8.210 nan 0.000 0.545 374 P HA -0.282 nan 4.420 nan 0.000 0.221 374 P C 1.762 179.077 177.300 0.026 0.000 1.160 374 P CA 1.231 64.325 63.100 -0.009 0.000 0.933 374 P CB 0.152 31.822 31.700 -0.049 0.000 0.793 375 V N -0.658 119.275 119.914 0.030 0.000 2.568 375 V HA -0.214 3.906 4.120 0.001 0.000 0.253 375 V C 1.532 177.735 176.094 0.182 0.000 1.072 375 V CA 2.123 64.490 62.300 0.111 0.000 1.084 375 V CB -0.939 30.935 31.823 0.085 0.000 0.676 375 V HN 0.139 nan 8.190 nan 0.000 0.469 376 N N -1.274 117.473 118.700 0.078 0.000 2.356 376 N HA 0.054 4.794 4.740 0.001 0.000 0.178 376 N C 0.737 176.304 175.510 0.096 0.000 1.075 376 N CA 0.591 53.658 53.050 0.029 0.000 0.889 376 N CB -0.435 38.019 38.487 -0.054 0.000 0.999 376 N HN 0.495 nan 8.380 nan 0.000 0.464 377 C N 4.440 123.820 119.300 0.134 0.000 2.611 377 C HA 0.078 4.538 4.460 0.001 0.000 0.416 377 C C -1.668 173.465 174.990 0.239 0.000 1.366 377 C CA -0.945 58.152 59.018 0.132 0.000 1.761 377 C CB 0.122 27.922 27.740 0.099 0.000 2.619 377 C HN 0.271 nan 8.230 nan 0.000 0.606 378 P HA 0.111 nan 4.420 nan 0.000 0.214 378 P C 0.125 177.453 177.300 0.047 0.000 1.826 378 P CA 0.003 63.163 63.100 0.100 0.000 0.977 378 P CB -0.630 31.083 31.700 0.021 0.000 1.930 379 Y N 0.456 120.782 120.300 0.044 0.000 2.446 379 Y HA -0.085 4.466 4.550 0.001 0.000 0.287 379 Y C 1.919 177.805 175.900 -0.024 0.000 1.159 379 Y CA 0.758 58.839 58.100 -0.032 0.000 1.297 379 Y CB -0.841 37.556 38.460 -0.105 0.000 0.974 379 Y HN -0.024 nan 8.280 nan 0.000 0.557 380 R N 0.975 121.231 120.500 -0.407 0.000 2.310 380 R HA 0.437 4.777 4.340 0.001 0.000 0.202 380 R C -0.149 176.086 176.300 -0.107 0.000 0.933 380 R CA 0.445 56.388 56.100 -0.261 0.000 1.054 380 R CB 0.017 30.106 30.300 -0.352 0.000 0.985 380 R HN 0.428 nan 8.270 nan 0.000 0.489 381 A N 0.242 123.018 122.820 -0.074 0.000 2.423 381 A HA 0.478 4.799 4.320 0.001 0.000 0.304 381 A C -1.094 176.472 177.584 -0.030 0.000 1.104 381 A CA -0.796 51.214 52.037 -0.046 0.000 0.757 381 A CB 1.201 20.173 19.000 -0.047 0.000 1.313 381 A HN 0.258 nan 8.150 nan 0.000 0.423 382 R N 1.654 122.133 120.500 -0.034 0.000 2.233 382 R HA 0.478 4.819 4.340 0.001 0.000 0.334 382 R C -1.339 174.933 176.300 -0.047 0.000 1.037 382 R CA -0.279 55.798 56.100 -0.037 0.000 0.920 382 R CB 0.281 30.559 30.300 -0.037 0.000 1.137 382 R HN 0.487 nan 8.270 nan 0.000 0.492 383 V N 3.909 123.794 119.914 -0.049 0.000 2.446 383 V HA 0.327 4.448 4.120 0.001 0.000 0.276 383 V C 0.230 176.275 176.094 -0.081 0.000 1.030 383 V CA 0.104 62.369 62.300 -0.059 0.000 1.033 383 V CB 0.815 32.607 31.823 -0.051 0.000 0.993 383 V HN 0.848 nan 8.190 nan 0.000 0.477 384 A N 6.255 129.015 122.820 -0.101 0.000 2.429 384 A HA 0.821 5.141 4.320 0.001 0.000 0.289 384 A C -0.319 177.142 177.584 -0.205 0.000 1.043 384 A CA -0.637 51.310 52.037 -0.151 0.000 0.722 384 A CB 1.212 20.128 19.000 -0.139 0.000 1.243 384 A HN 0.929 nan 8.150 nan 0.000 0.415 385 N N -0.071 118.452 118.700 -0.296 0.000 3.517 385 N HA 0.241 4.981 4.740 0.001 0.000 0.329 385 N C -0.971 174.160 175.510 -0.632 0.000 1.569 385 N CA -0.574 52.250 53.050 -0.378 0.000 0.852 385 N CB 0.535 38.948 38.487 -0.125 0.000 1.955 385 N HN 0.304 nan 8.380 nan 0.000 0.555 386 Y N 0.151 120.424 120.300 -0.045 0.000 2.555 386 Y HA 0.307 4.857 4.550 0.001 0.000 0.259 386 Y C 0.254 176.169 175.900 0.025 0.000 1.179 386 Y CA -0.352 57.748 58.100 -0.000 0.000 1.230 386 Y CB 0.467 38.941 38.460 0.023 0.000 1.146 386 Y HN 0.178 nan 8.280 nan 0.000 0.526 387 Q N 1.190 121.029 119.800 0.064 0.000 2.259 387 Q HA 0.533 4.874 4.340 0.001 0.000 0.246 387 Q C -0.148 175.881 176.000 0.048 0.000 0.920 387 Q CA -0.425 55.417 55.803 0.065 0.000 0.895 387 Q CB 1.256 30.021 28.738 0.044 0.000 1.220 387 Q HN 0.110 nan 8.270 nan 0.000 0.439 388 R N 1.257 121.792 120.500 0.057 0.000 2.752 388 R HA 0.300 4.641 4.340 0.001 0.000 0.271 388 R C -0.829 175.500 176.300 0.049 0.000 1.026 388 R CA -0.656 55.476 56.100 0.053 0.000 0.901 388 R CB 0.948 31.282 30.300 0.057 0.000 1.243 388 R HN 0.732 nan 8.270 nan 0.000 0.463 389 D N -0.075 120.354 120.400 0.050 0.000 3.395 389 D HA -0.177 4.463 4.640 0.001 0.000 0.238 389 D C 0.367 176.682 176.300 0.026 0.000 1.741 389 D CA 2.208 56.233 54.000 0.041 0.000 1.135 389 D CB -0.976 39.845 40.800 0.036 0.000 0.767 389 D HN 0.932 nan 8.370 nan 0.000 0.934 390 G N -1.430 107.380 108.800 0.017 0.000 2.719 390 G HA2 0.162 4.123 3.960 0.001 0.000 0.686 390 G HA3 0.162 4.123 3.960 0.001 0.000 0.686 390 G C -2.931 171.966 174.900 -0.005 0.000 1.201 390 G CA -0.443 44.656 45.100 -0.001 0.000 0.768 390 G HN 0.476 nan 8.290 nan 0.000 0.629 391 P HA 0.217 nan 4.420 nan 0.000 0.266 391 P C 0.988 178.285 177.300 -0.005 0.000 1.186 391 P CA 0.342 63.442 63.100 0.001 0.000 0.767 391 P CB 0.246 31.947 31.700 0.002 0.000 0.820 392 M N -0.698 118.911 119.600 0.014 0.000 2.206 392 M HA -0.196 4.284 4.480 0.001 0.000 0.197 392 M C -0.123 176.211 176.300 0.056 0.000 0.375 392 M CA 0.393 55.712 55.300 0.031 0.000 0.410 392 M CB -2.371 30.245 32.600 0.028 0.000 1.204 392 M HN 0.421 nan 8.290 nan 0.000 0.932 393 C N 1.768 121.110 119.300 0.071 0.000 2.551 393 C HA 0.238 4.699 4.460 0.001 0.000 0.378 393 C C 1.618 176.716 174.990 0.180 0.000 1.101 393 C CA -0.288 58.824 59.018 0.157 0.000 1.360 393 C CB -0.797 27.010 27.740 0.111 0.000 1.895 393 C HN 0.522 nan 8.230 nan 0.000 0.540 394 M N 3.800 123.560 119.600 0.267 0.000 2.686 394 M HA 0.193 4.674 4.480 0.001 0.000 0.216 394 M C 0.749 177.043 176.300 -0.010 0.000 1.221 394 M CA 0.900 56.268 55.300 0.113 0.000 0.992 394 M CB -0.762 31.901 32.600 0.106 0.000 1.739 394 M HN 0.721 nan 8.290 nan 0.000 0.461 395 Q N -1.083 118.686 119.800 -0.052 0.000 3.017 395 Q HA 0.234 4.574 4.340 0.001 0.000 0.299 395 Q C 0.436 176.398 176.000 -0.062 0.000 1.046 395 Q CA -0.674 55.048 55.803 -0.134 0.000 0.821 395 Q CB 0.786 29.338 28.738 -0.311 0.000 1.481 395 Q HN 0.231 nan 8.270 nan 0.000 0.494 396 D N -0.330 120.028 120.400 -0.070 0.000 2.363 396 D HA -0.138 4.503 4.640 0.001 0.000 0.226 396 D C 0.013 176.295 176.300 -0.029 0.000 1.020 396 D CA 0.302 54.278 54.000 -0.041 0.000 0.892 396 D CB -0.369 40.405 40.800 -0.044 0.000 0.900 396 D HN 0.800 nan 8.370 nan 0.000 0.531 397 N N 0.891 119.573 118.700 -0.031 0.000 2.735 397 N HA -0.299 4.442 4.740 0.001 0.000 0.248 397 N C -0.676 174.822 175.510 -0.020 0.000 1.083 397 N CA 0.629 53.678 53.050 -0.003 0.000 0.703 397 N CB -0.791 37.709 38.487 0.022 0.000 1.005 397 N HN 0.329 nan 8.380 nan 0.000 0.550 398 Q N -3.066 116.706 119.800 -0.045 0.000 2.481 398 Q HA -0.262 4.079 4.340 0.001 0.000 0.258 398 Q C 1.040 177.015 176.000 -0.042 0.000 0.961 398 Q CA 1.030 56.798 55.803 -0.057 0.000 1.121 398 Q CB -1.801 26.890 28.738 -0.079 0.000 1.503 398 Q HN 0.884 nan 8.270 nan 0.000 0.544 399 G N -0.605 108.177 108.800 -0.029 0.000 2.602 399 G HA2 -0.344 3.616 3.960 0.001 0.000 0.306 399 G HA3 -0.344 3.616 3.960 0.001 0.000 0.306 399 G C 0.492 175.384 174.900 -0.012 0.000 1.301 399 G CA 0.211 45.299 45.100 -0.020 0.000 0.974 399 G HN 0.899 nan 8.290 nan 0.000 0.547 400 G N 0.372 109.165 108.800 -0.011 0.000 3.440 400 G HA2 0.645 4.605 3.960 0.001 0.000 0.263 400 G HA3 0.645 4.605 3.960 0.001 0.000 0.263 400 G C 0.583 175.480 174.900 -0.006 0.000 1.236 400 G CA 1.252 46.349 45.100 -0.006 0.000 0.927 400 G HN 1.692 nan 8.290 nan 0.000 0.530 401 A N 0.959 123.772 122.820 -0.012 0.000 2.425 401 A HA 0.584 4.904 4.320 0.001 0.000 0.249 401 A C -2.025 175.565 177.584 0.009 0.000 1.084 401 A CA -1.033 50.995 52.037 -0.015 0.000 0.781 401 A CB 0.247 19.215 19.000 -0.053 0.000 1.019 401 A HN 0.191 nan 8.150 nan 0.000 0.490 402 P HA -0.025 nan 4.420 nan 0.000 0.258 402 P C 0.276 177.666 177.300 0.150 0.000 1.172 402 P CA 0.513 63.660 63.100 0.077 0.000 0.762 402 P CB 0.154 31.859 31.700 0.009 0.000 0.764 403 N N 2.544 121.408 118.700 0.273 0.000 2.314 403 N HA -0.009 4.732 4.740 0.001 0.000 0.200 403 N C -0.380 175.456 175.510 0.543 0.000 1.135 403 N CA -0.518 52.742 53.050 0.350 0.000 0.835 403 N CB -0.182 38.447 38.487 0.237 0.000 0.989 403 N HN 0.443 nan 8.380 nan 0.000 0.478 404 Y N -2.542 117.968 120.300 0.350 0.000 2.512 404 Y HA 0.624 5.174 4.550 0.001 0.000 0.348 404 Y C -1.693 174.117 175.900 -0.150 0.000 0.990 404 Y CA -1.807 56.351 58.100 0.098 0.000 1.033 404 Y CB 0.954 39.452 38.460 0.064 0.000 1.259 404 Y HN -0.091 nan 8.280 nan 0.000 0.461 405 Y N 4.953 124.875 120.300 -0.630 0.000 2.391 405 Y HA 0.677 5.227 4.550 0.001 0.000 0.341 405 Y C -2.536 173.216 175.900 -0.246 0.000 0.965 405 Y CA -2.850 54.816 58.100 -0.722 0.000 1.067 405 Y CB 1.770 39.463 38.460 -1.279 0.000 1.199 405 Y HN 0.760 nan 8.280 nan 0.000 0.450 406 P HA 0.394 nan 4.420 nan 0.000 0.276 406 P C -1.818 175.361 177.300 -0.201 0.000 1.261 406 P CA -0.471 62.259 63.100 -0.616 0.000 0.800 406 P CB 1.698 33.066 31.700 -0.554 0.000 1.066 407 N N -2.589 116.019 118.700 -0.153 0.000 2.591 407 N HA 0.264 5.005 4.740 0.001 0.000 0.263 407 N C -0.748 174.769 175.510 0.012 0.000 1.308 407 N CA -0.893 52.128 53.050 -0.049 0.000 0.837 407 N CB 0.816 39.050 38.487 -0.422 0.000 1.548 407 N HN 0.056 nan 8.380 nan 0.000 0.493 408 S N 0.008 115.712 115.700 0.006 0.000 2.618 408 S HA 0.273 4.743 4.470 0.001 0.000 0.242 408 S C -0.585 173.703 174.600 -0.521 0.000 0.972 408 S CA -0.397 57.645 58.200 -0.263 0.000 1.004 408 S CB -0.889 62.087 63.200 -0.374 0.000 0.778 408 S HN 0.531 nan 8.310 nan 0.000 0.459 409 F N 0.832 120.794 119.950 0.019 0.000 2.698 409 F HA 0.378 4.905 4.527 0.001 0.000 0.304 409 F C 1.522 177.335 175.800 0.021 0.000 1.108 409 F CA -0.418 57.597 58.000 0.026 0.000 1.263 409 F CB 0.405 39.431 39.000 0.043 0.000 1.013 409 F HN 0.290 nan 8.300 nan 0.000 0.532 410 G N 0.872 109.744 108.800 0.121 0.000 2.147 410 G HA2 -0.133 3.828 3.960 0.001 0.000 0.244 410 G HA3 -0.133 3.828 3.960 0.001 0.000 0.244 410 G C 0.412 175.368 174.900 0.093 0.000 1.005 410 G CA -0.049 45.107 45.100 0.093 0.000 0.713 410 G HN 0.661 nan 8.290 nan 0.000 0.515 411 A N 0.039 122.936 122.820 0.127 0.000 2.296 411 A HA 0.764 5.084 4.320 0.001 0.000 0.264 411 A C -1.039 176.601 177.584 0.092 0.000 1.097 411 A CA -0.699 51.392 52.037 0.090 0.000 0.811 411 A CB 0.008 19.111 19.000 0.172 0.000 1.072 411 A HN 0.239 nan 8.150 nan 0.000 0.495 412 P HA 0.058 nan 4.420 nan 0.000 0.266 412 P C -0.411 176.894 177.300 0.008 0.000 1.180 412 P CA 0.593 63.652 63.100 -0.069 0.000 0.765 412 P CB 0.342 31.900 31.700 -0.236 0.000 0.806 413 E N 1.331 121.533 120.200 0.003 0.000 2.244 413 E HA 0.158 4.509 4.350 0.001 0.000 0.266 413 E C -0.158 176.437 176.600 -0.007 0.000 0.914 413 E CA -0.702 55.731 56.400 0.056 0.000 0.794 413 E CB 1.480 31.256 29.700 0.127 0.000 1.210 413 E HN 0.465 nan 8.360 nan 0.000 0.414 414 Q N 0.695 120.525 119.800 0.049 0.000 2.373 414 Q HA 0.235 4.575 4.340 0.001 0.000 0.255 414 Q C -0.413 175.618 176.000 0.053 0.000 0.980 414 Q CA -0.368 55.460 55.803 0.042 0.000 0.882 414 Q CB 0.799 29.609 28.738 0.120 0.000 1.249 414 Q HN 0.165 nan 8.270 nan 0.000 0.438 415 Q N 2.590 122.408 119.800 0.029 0.000 2.400 415 Q HA 0.259 4.600 4.340 0.001 0.000 0.255 415 Q C -2.155 173.862 176.000 0.028 0.000 1.008 415 Q CA -2.091 53.726 55.803 0.024 0.000 0.841 415 Q CB 1.544 30.287 28.738 0.008 0.000 1.220 415 Q HN 0.491 nan 8.270 nan 0.000 0.474 416 P HA -0.205 nan 4.420 nan 0.000 0.217 416 P C 0.497 177.809 177.300 0.022 0.000 1.148 416 P CA 1.485 64.602 63.100 0.028 0.000 0.834 416 P CB 0.264 31.980 31.700 0.026 0.000 0.783 417 S N -1.798 113.912 115.700 0.017 0.000 2.660 417 S HA 0.196 4.666 4.470 0.001 0.000 0.223 417 S C 1.502 176.110 174.600 0.013 0.000 0.963 417 S CA 0.453 58.661 58.200 0.013 0.000 0.932 417 S CB -0.675 62.530 63.200 0.009 0.000 0.775 417 S HN 0.105 nan 8.310 nan 0.000 0.531 418 A N 0.678 123.507 122.820 0.015 0.000 2.430 418 A HA 0.521 4.842 4.320 0.001 0.000 0.243 418 A C 0.546 178.144 177.584 0.024 0.000 1.254 418 A CA -0.506 51.539 52.037 0.013 0.000 0.914 418 A CB -0.107 18.897 19.000 0.007 0.000 0.998 418 A HN 0.523 nan 8.150 nan 0.000 0.515 419 L N 1.278 122.518 121.223 0.029 0.000 2.485 419 L HA 0.095 4.436 4.340 0.001 0.000 0.275 419 L C 0.048 176.946 176.870 0.048 0.000 1.207 419 L CA -0.272 54.589 54.840 0.036 0.000 0.855 419 L CB 0.526 42.603 42.059 0.029 0.000 1.114 419 L HN 0.339 nan 8.230 nan 0.000 0.485 420 E N 1.760 121.994 120.200 0.057 0.000 2.373 420 E HA 0.048 4.398 4.350 0.001 0.000 0.267 420 E C -0.063 176.598 176.600 0.100 0.000 1.032 420 E CA -0.208 56.244 56.400 0.086 0.000 0.889 420 E CB 0.330 30.083 29.700 0.088 0.000 0.984 420 E HN 0.299 nan 8.360 nan 0.000 0.425 421 H N 1.982 121.079 119.070 0.044 0.000 2.964 421 H HA 0.040 4.596 4.556 0.001 0.000 0.328 421 H C -0.671 174.696 175.328 0.064 0.000 1.030 421 H CA -0.008 56.063 56.048 0.039 0.000 1.445 421 H CB 0.549 30.331 29.762 0.032 0.000 1.449 421 H HN 0.503 nan 8.280 nan 0.000 0.581 422 S N 5.967 121.394 115.700 -0.455 0.000 2.489 422 S HA 0.567 5.038 4.470 0.001 0.000 0.291 422 S C -0.004 174.421 174.600 -0.292 0.000 1.151 422 S CA -0.978 57.079 58.200 -0.239 0.000 1.082 422 S CB 1.456 64.588 63.200 -0.113 0.000 1.019 422 S HN 0.550 nan 8.310 nan 0.000 0.492 423 I N 1.722 122.272 120.570 -0.033 0.000 2.530 423 I HA 0.368 4.538 4.170 0.001 0.000 0.297 423 I C -0.076 175.936 176.117 -0.175 0.000 1.011 423 I CA -0.826 60.441 61.300 -0.054 0.000 1.107 423 I CB 2.127 40.106 38.000 -0.035 0.000 1.285 423 I HN 0.659 nan 8.210 nan 0.000 0.436 424 Q N 3.956 123.633 119.800 -0.205 0.000 2.288 424 Q HA 0.357 4.698 4.340 0.001 0.000 0.254 424 Q C -1.898 173.910 176.000 -0.321 0.000 0.932 424 Q CA 0.339 56.055 55.803 -0.146 0.000 0.902 424 Q CB 0.792 29.489 28.738 -0.068 0.000 1.203 424 Q HN 0.413 nan 8.270 nan 0.000 0.415 425 Y N 0.683 121.002 120.300 0.033 0.000 2.609 425 Y HA 0.670 5.221 4.550 0.001 0.000 0.342 425 Y C -0.636 175.276 175.900 0.020 0.000 1.058 425 Y CA -0.840 57.273 58.100 0.020 0.000 1.055 425 Y CB 2.757 41.222 38.460 0.009 0.000 1.292 425 Y HN 0.606 nan 8.280 nan 0.000 0.476 426 S N 0.353 116.179 115.700 0.210 0.000 2.563 426 S HA 0.761 5.232 4.470 0.001 0.000 0.279 426 S C -0.843 173.816 174.600 0.099 0.000 1.155 426 S CA 0.197 58.470 58.200 0.122 0.000 0.928 426 S CB 1.033 64.283 63.200 0.083 0.000 1.107 426 S HN 1.436 nan 8.310 nan 0.000 0.462 427 G N 2.852 111.711 108.800 0.098 0.000 2.337 427 G HA2 0.275 4.236 3.960 0.001 0.000 0.298 427 G HA3 0.275 4.236 3.960 0.001 0.000 0.298 427 G C -1.940 173.055 174.900 0.159 0.000 1.335 427 G CA -0.847 44.325 45.100 0.120 0.000 0.875 427 G HN 0.673 nan 8.290 nan 0.000 0.579 428 E N -0.849 119.498 120.200 0.245 0.000 2.366 428 E HA 0.383 4.733 4.350 0.001 0.000 0.266 428 E C -0.121 176.595 176.600 0.193 0.000 1.051 428 E CA -0.515 55.995 56.400 0.184 0.000 0.884 428 E CB 2.236 32.014 29.700 0.131 0.000 1.006 428 E HN 0.207 nan 8.360 nan 0.000 0.417 429 V N 4.884 124.841 119.914 0.072 0.000 2.287 429 V HA 0.115 4.236 4.120 0.001 0.000 0.246 429 V C 0.213 176.271 176.094 -0.060 0.000 1.165 429 V CA 0.444 62.765 62.300 0.036 0.000 1.088 429 V CB -1.135 30.695 31.823 0.012 0.000 1.242 429 V HN 0.608 nan 8.190 nan 0.000 0.497 430 R N 3.435 123.836 120.500 -0.165 0.000 2.929 430 R HA 0.683 5.023 4.340 0.001 0.000 0.259 430 R C -0.838 175.177 176.300 -0.474 0.000 1.141 430 R CA -1.226 54.646 56.100 -0.380 0.000 0.991 430 R CB 1.539 31.513 30.300 -0.544 0.000 1.287 430 R HN 0.196 nan 8.270 nan 0.000 0.450 431 R N 0.885 121.121 120.500 -0.440 0.000 2.280 431 R HA 0.311 4.651 4.340 0.001 0.000 0.326 431 R C -1.082 175.032 176.300 -0.309 0.000 1.080 431 R CA -0.333 55.612 56.100 -0.258 0.000 1.002 431 R CB 0.293 30.516 30.300 -0.128 0.000 1.136 431 R HN 0.273 nan 8.270 nan 0.000 0.509 432 F N 1.254 121.208 119.950 0.007 0.000 2.412 432 F HA 0.150 4.678 4.527 0.001 0.000 0.348 432 F C 1.105 176.916 175.800 0.018 0.000 1.102 432 F CA -0.738 57.270 58.000 0.014 0.000 1.196 432 F CB 0.491 39.501 39.000 0.018 0.000 1.144 432 F HN 0.331 nan 8.300 nan 0.000 0.541 433 N N 0.832 119.634 118.700 0.170 0.000 2.514 433 N HA 0.159 4.899 4.740 0.001 0.000 0.277 433 N C 0.493 176.069 175.510 0.111 0.000 1.126 433 N CA 0.064 53.179 53.050 0.108 0.000 0.978 433 N CB 0.953 39.481 38.487 0.068 0.000 1.106 433 N HN 0.723 nan 8.380 nan 0.000 0.461 434 T N -0.582 114.024 114.554 0.087 0.000 3.043 434 T HA 0.295 4.645 4.350 0.001 0.000 0.272 434 T C 1.437 176.164 174.700 0.045 0.000 0.990 434 T CA 0.204 62.347 62.100 0.073 0.000 0.897 434 T CB -0.028 68.887 68.868 0.078 0.000 1.111 434 T HN 0.348 nan 8.240 nan 0.000 0.529 435 A N 2.866 125.708 122.820 0.035 0.000 1.986 435 A HA -0.087 4.234 4.320 0.001 0.000 0.220 435 A C 1.958 179.542 177.584 0.000 0.000 1.171 435 A CA 1.300 53.343 52.037 0.009 0.000 0.640 435 A CB -0.570 18.432 19.000 0.002 0.000 0.811 435 A HN 0.521 nan 8.150 nan 0.000 0.451 436 N N 0.739 119.447 118.700 0.014 0.000 2.295 436 N HA 0.088 4.828 4.740 0.001 0.000 0.221 436 N C -0.840 174.681 175.510 0.019 0.000 1.129 436 N CA 0.002 53.057 53.050 0.010 0.000 0.836 436 N CB 0.051 38.546 38.487 0.013 0.000 1.040 436 N HN 0.443 nan 8.380 nan 0.000 0.494 437 D N 0.390 120.804 120.400 0.023 0.000 2.393 437 D HA -0.019 4.621 4.640 0.001 0.000 0.246 437 D C 0.343 176.655 176.300 0.019 0.000 1.275 437 D CA 0.070 54.094 54.000 0.039 0.000 0.979 437 D CB 0.702 41.529 40.800 0.044 0.000 1.101 437 D HN 0.022 nan 8.370 nan 0.000 0.505 438 D N 0.253 120.681 120.400 0.047 0.000 2.450 438 D HA -0.049 4.591 4.640 0.001 0.000 0.247 438 D C -0.099 176.139 176.300 -0.103 0.000 1.162 438 D CA 0.200 54.205 54.000 0.009 0.000 0.879 438 D CB 0.398 41.266 40.800 0.114 0.000 1.163 438 D HN 0.174 nan 8.370 nan 0.000 0.472 439 N N 2.823 121.467 118.700 -0.094 0.000 2.171 439 N HA 0.013 4.753 4.740 0.001 0.000 0.212 439 N C 1.056 176.482 175.510 -0.141 0.000 1.184 439 N CA 0.190 53.164 53.050 -0.127 0.000 0.888 439 N CB 1.272 39.697 38.487 -0.103 0.000 1.038 439 N HN 0.432 nan 8.380 nan 0.000 0.517 440 V N -4.187 115.654 119.914 -0.121 0.000 3.251 440 V HA 0.170 4.290 4.120 0.001 0.000 0.239 440 V C 1.947 177.994 176.094 -0.077 0.000 1.332 440 V CA 0.338 62.586 62.300 -0.088 0.000 1.224 440 V CB -0.227 31.576 31.823 -0.033 0.000 1.004 440 V HN -0.135 nan 8.190 nan 0.000 0.464 441 T N 1.158 115.681 114.554 -0.051 0.000 2.570 441 T HA -0.312 4.039 4.350 0.001 0.000 0.266 441 T C 1.916 176.595 174.700 -0.036 0.000 1.071 441 T CA 2.854 64.965 62.100 0.018 0.000 1.172 441 T CB -0.541 68.430 68.868 0.171 0.000 0.864 441 T HN 0.599 nan 8.240 nan 0.000 0.421 442 Q N 0.195 119.870 119.800 -0.208 0.000 2.291 442 Q HA -0.053 4.287 4.340 0.001 0.000 0.206 442 Q C 2.513 178.310 176.000 -0.339 0.000 0.976 442 Q CA 0.860 56.512 55.803 -0.251 0.000 0.875 442 Q CB -0.290 28.205 28.738 -0.404 0.000 0.927 442 Q HN 0.424 nan 8.270 nan 0.000 0.450 443 V N 0.402 120.092 119.914 -0.374 0.000 2.407 443 V HA -0.212 3.909 4.120 0.001 0.000 0.245 443 V C 2.267 178.487 176.094 0.210 0.000 1.041 443 V CA 1.676 63.907 62.300 -0.114 0.000 1.040 443 V CB -0.564 31.228 31.823 -0.051 0.000 0.671 443 V HN 0.293 nan 8.190 nan 0.000 0.455 444 R N 0.658 121.248 120.500 0.149 0.000 2.081 444 R HA -0.162 4.179 4.340 0.001 0.000 0.235 444 R C 2.314 178.749 176.300 0.226 0.000 1.131 444 R CA 1.668 57.897 56.100 0.215 0.000 0.960 444 R CB -0.463 29.940 30.300 0.171 0.000 0.856 444 R HN 0.468 nan 8.270 nan 0.000 0.436 445 A N 0.722 123.654 122.820 0.188 0.000 1.883 445 A HA -0.221 4.100 4.320 0.001 0.000 0.217 445 A C 1.983 179.706 177.584 0.232 0.000 1.186 445 A CA 1.484 53.633 52.037 0.187 0.000 0.624 445 A CB -0.890 18.218 19.000 0.179 0.000 0.822 445 A HN 0.549 nan 8.150 nan 0.000 0.444 446 F N -0.757 119.300 119.950 0.178 0.000 2.069 446 F HA -0.229 4.299 4.527 0.001 0.000 0.298 446 F C 2.153 178.035 175.800 0.137 0.000 1.113 446 F CA 1.923 60.047 58.000 0.206 0.000 1.214 446 F CB -0.877 38.354 39.000 0.386 0.000 0.978 446 F HN 0.372 nan 8.300 nan 0.000 0.474 447 Y N 0.223 120.448 120.300 -0.125 0.000 2.145 447 Y HA -0.202 4.349 4.550 0.001 0.000 0.286 447 Y C 2.234 177.950 175.900 -0.308 0.000 1.145 447 Y CA 2.402 60.296 58.100 -0.343 0.000 1.148 447 Y CB -0.570 37.767 38.460 -0.205 0.000 0.981 447 Y HN -0.044 nan 8.280 nan 0.000 0.507 448 V N 0.300 120.200 119.914 -0.024 0.000 2.346 448 V HA -0.238 3.883 4.120 0.001 0.000 0.244 448 V C 1.385 177.410 176.094 -0.116 0.000 1.037 448 V CA 2.364 64.612 62.300 -0.087 0.000 1.029 448 V CB -0.592 31.262 31.823 0.053 0.000 0.663 448 V HN 0.426 nan 8.190 nan 0.000 0.454 449 N N -0.625 118.046 118.700 -0.050 0.000 2.432 449 N HA 0.015 4.755 4.740 0.001 0.000 0.174 449 N C 1.553 177.028 175.510 -0.059 0.000 1.037 449 N CA 0.488 53.518 53.050 -0.032 0.000 0.892 449 N CB 0.392 38.901 38.487 0.036 0.000 1.049 449 N HN 0.219 nan 8.380 nan 0.000 0.442 450 V N 1.481 121.341 119.914 -0.089 0.000 2.379 450 V HA 0.052 4.173 4.120 0.001 0.000 0.243 450 V C 0.881 176.828 176.094 -0.244 0.000 1.035 450 V CA 0.859 63.100 62.300 -0.097 0.000 1.035 450 V CB -0.206 31.652 31.823 0.059 0.000 0.673 450 V HN 0.178 nan 8.190 nan 0.000 0.457 451 L N 1.744 122.686 121.223 -0.469 0.000 2.395 451 L HA 0.313 4.654 4.340 0.001 0.000 0.269 451 L C 0.258 176.910 176.870 -0.363 0.000 1.133 451 L CA -0.320 54.238 54.840 -0.471 0.000 0.812 451 L CB 0.576 42.215 42.059 -0.700 0.000 1.125 451 L HN 0.444 nan 8.230 nan 0.000 0.452 452 N N -0.047 118.489 118.700 -0.273 0.000 2.538 452 N HA 0.087 4.828 4.740 0.001 0.000 0.292 452 N C 0.510 175.878 175.510 -0.238 0.000 1.262 452 N CA -0.668 52.253 53.050 -0.215 0.000 0.976 452 N CB 0.477 38.881 38.487 -0.138 0.000 1.161 452 N HN 0.633 nan 8.380 nan 0.000 0.598 453 E N -0.321 119.774 120.200 -0.175 0.000 2.012 453 E HA -0.333 4.017 4.350 0.001 0.000 0.197 453 E C 1.343 177.869 176.600 -0.122 0.000 1.007 453 E CA 1.869 58.177 56.400 -0.152 0.000 0.816 453 E CB -0.215 29.427 29.700 -0.097 0.000 0.762 453 E HN 0.817 nan 8.360 nan 0.000 0.451 454 E N 0.110 120.257 120.200 -0.087 0.000 2.160 454 E HA -0.279 4.072 4.350 0.001 0.000 0.195 454 E C 2.094 178.649 176.600 -0.074 0.000 0.991 454 E CA 1.328 57.693 56.400 -0.058 0.000 0.810 454 E CB -0.254 29.421 29.700 -0.041 0.000 0.742 454 E HN 0.400 nan 8.360 nan 0.000 0.466 455 Q N 0.532 120.261 119.800 -0.119 0.000 2.079 455 Q HA -0.064 4.277 4.340 0.001 0.000 0.200 455 Q C 2.334 178.233 176.000 -0.170 0.000 0.974 455 Q CA 1.397 57.121 55.803 -0.132 0.000 0.840 455 Q CB -0.051 28.585 28.738 -0.169 0.000 0.898 455 Q HN 0.290 nan 8.270 nan 0.000 0.430 456 R N 0.836 121.176 120.500 -0.266 0.000 2.073 456 R HA -0.136 4.204 4.340 0.001 0.000 0.234 456 R C 2.313 178.537 176.300 -0.128 0.000 1.134 456 R CA 1.340 57.245 56.100 -0.324 0.000 0.952 456 R CB -0.258 29.722 30.300 -0.532 0.000 0.850 456 R HN 0.132 nan 8.270 nan 0.000 0.433 457 K N 1.176 121.544 120.400 -0.053 0.000 2.001 457 K HA -0.214 4.106 4.320 0.001 0.000 0.214 457 K C 2.166 178.731 176.600 -0.058 0.000 1.050 457 K CA 1.654 57.950 56.287 0.014 0.000 0.934 457 K CB -0.042 32.505 32.500 0.078 0.000 0.718 457 K HN 0.087 nan 8.250 nan 0.000 0.443 458 R N 0.348 120.832 120.500 -0.027 0.000 2.083 458 R HA -0.169 4.171 4.340 0.001 0.000 0.237 458 R C 2.465 178.781 176.300 0.027 0.000 1.137 458 R CA 1.462 57.565 56.100 0.006 0.000 0.951 458 R CB -0.610 29.700 30.300 0.016 0.000 0.851 458 R HN 0.242 nan 8.270 nan 0.000 0.434 459 L N 1.010 122.243 121.223 0.018 0.000 1.997 459 L HA -0.276 4.065 4.340 0.001 0.000 0.216 459 L C 2.186 179.087 176.870 0.051 0.000 1.074 459 L CA 1.816 56.707 54.840 0.086 0.000 0.763 459 L CB -0.813 41.274 42.059 0.047 0.000 0.890 459 L HN 0.227 nan 8.230 nan 0.000 0.434 460 C N -0.243 119.012 119.300 -0.075 0.000 2.425 460 C HA -0.138 4.323 4.460 0.001 0.000 0.277 460 C C 2.511 177.422 174.990 -0.132 0.000 1.280 460 C CA 0.949 59.866 59.018 -0.169 0.000 1.744 460 C CB -1.190 26.282 27.740 -0.446 0.000 1.989 460 C HN 0.617 nan 8.230 nan 0.000 0.491 461 E N 1.144 121.293 120.200 -0.085 0.000 2.110 461 E HA -0.164 4.186 4.350 0.001 0.000 0.193 461 E C 1.801 178.464 176.600 0.105 0.000 0.988 461 E CA 1.033 57.451 56.400 0.030 0.000 0.804 461 E CB -0.204 29.526 29.700 0.050 0.000 0.745 461 E HN 0.626 nan 8.360 nan 0.000 0.458 462 N N 0.748 119.538 118.700 0.151 0.000 2.188 462 N HA -0.088 4.652 4.740 0.001 0.000 0.184 462 N C 1.896 177.586 175.510 0.300 0.000 1.018 462 N CA 0.852 54.092 53.050 0.317 0.000 0.858 462 N CB -0.097 38.677 38.487 0.477 0.000 0.989 462 N HN 0.189 nan 8.380 nan 0.000 0.426 463 I N 1.115 121.666 120.570 -0.033 0.000 2.163 463 I HA -0.213 3.958 4.170 0.001 0.000 0.240 463 I C 2.325 178.303 176.117 -0.233 0.000 1.081 463 I CA 1.033 62.061 61.300 -0.453 0.000 1.353 463 I CB -0.374 37.309 38.000 -0.528 0.000 1.054 463 I HN 0.049 nan 8.210 nan 0.000 0.407 464 A N 0.989 123.720 122.820 -0.148 0.000 1.940 464 A HA -0.161 4.160 4.320 0.001 0.000 0.219 464 A C 2.410 179.877 177.584 -0.195 0.000 1.176 464 A CA 1.929 53.909 52.037 -0.095 0.000 0.631 464 A CB -1.491 17.586 19.000 0.128 0.000 0.814 464 A HN 0.496 nan 8.150 nan 0.000 0.446 465 G N -1.870 106.860 108.800 -0.116 0.000 2.462 465 G HA2 -0.284 3.677 3.960 0.001 0.000 0.220 465 G HA3 -0.284 3.677 3.960 0.001 0.000 0.220 465 G C 1.575 176.423 174.900 -0.086 0.000 1.121 465 G CA 1.304 46.270 45.100 -0.223 0.000 0.758 465 G HN 0.765 nan 8.290 nan 0.000 0.559 466 H N -0.668 118.406 119.070 0.007 0.000 2.379 466 H HA 0.122 4.679 4.556 0.001 0.000 0.308 466 H C 2.441 177.803 175.328 0.056 0.000 1.047 466 H CA 0.565 56.708 56.048 0.159 0.000 1.371 466 H CB 0.070 30.141 29.762 0.514 0.000 1.449 466 H HN 0.175 nan 8.280 nan 0.000 0.564 467 L N 2.895 124.035 121.223 -0.138 0.000 2.129 467 L HA -0.212 4.128 4.340 0.001 0.000 0.212 467 L C 2.493 179.124 176.870 -0.399 0.000 1.087 467 L CA 2.062 56.535 54.840 -0.611 0.000 0.757 467 L CB -0.601 40.878 42.059 -0.967 0.000 0.896 467 L HN 0.370 nan 8.230 nan 0.000 0.434 468 K N -1.676 118.540 120.400 -0.306 0.000 2.218 468 K HA -0.197 4.123 4.320 0.001 0.000 0.205 468 K C 1.088 177.580 176.600 -0.181 0.000 1.046 468 K CA 1.859 58.009 56.287 -0.229 0.000 0.933 468 K CB -0.596 31.709 32.500 -0.324 0.000 0.728 468 K HN 0.377 nan 8.250 nan 0.000 0.454 469 D N 0.938 121.216 120.400 -0.204 0.000 2.340 469 D HA 0.113 4.754 4.640 0.001 0.000 0.220 469 D C 0.374 176.595 176.300 -0.131 0.000 1.039 469 D CA 0.352 54.263 54.000 -0.149 0.000 0.866 469 D CB 0.402 41.114 40.800 -0.147 0.000 0.913 469 D HN 0.425 nan 8.370 nan 0.000 0.523 470 A N 0.458 123.181 122.820 -0.161 0.000 2.257 470 A HA 0.285 4.606 4.320 0.001 0.000 0.289 470 A C 0.467 177.958 177.584 -0.155 0.000 1.095 470 A CA -0.457 51.496 52.037 -0.140 0.000 0.836 470 A CB 0.815 19.725 19.000 -0.149 0.000 1.111 470 A HN -0.044 nan 8.150 nan 0.000 0.497 471 Q N 0.240 119.921 119.800 -0.198 0.000 2.337 471 Q HA 0.087 4.427 4.340 0.001 0.000 0.270 471 Q C 0.888 176.757 176.000 -0.219 0.000 1.002 471 Q CA -0.528 55.173 55.803 -0.169 0.000 0.888 471 Q CB 0.605 29.257 28.738 -0.142 0.000 1.222 471 Q HN 0.641 nan 8.270 nan 0.000 0.400 472 I N 2.717 123.259 120.570 -0.047 0.000 2.181 472 I HA -0.357 3.813 4.170 0.001 0.000 0.247 472 I C 2.072 178.192 176.117 0.006 0.000 1.081 472 I CA 1.808 63.102 61.300 -0.011 0.000 1.340 472 I CB -1.272 36.761 38.000 0.056 0.000 1.036 472 I HN 0.749 nan 8.210 nan 0.000 0.417 473 F N 1.011 120.961 119.950 -0.000 0.000 2.216 473 F HA -0.112 4.416 4.527 0.001 0.000 0.300 473 F C 2.358 178.164 175.800 0.010 0.000 1.085 473 F CA 1.166 59.168 58.000 0.004 0.000 1.326 473 F CB -1.242 37.763 39.000 0.008 0.000 1.027 473 F HN -0.065 nan 8.300 nan 0.000 0.497 474 I N 0.724 120.850 120.570 -0.738 0.000 2.252 474 I HA -0.240 3.931 4.170 0.001 0.000 0.245 474 I C 2.570 178.566 176.117 -0.201 0.000 1.102 474 I CA 1.329 62.336 61.300 -0.488 0.000 1.385 474 I CB -0.770 36.906 38.000 -0.541 0.000 1.064 474 I HN 0.274 nan 8.210 nan 0.000 0.414 475 Q N 0.815 120.490 119.800 -0.208 0.000 2.061 475 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 475 Q C 2.242 178.193 176.000 -0.081 0.000 0.984 475 Q CA 1.276 56.981 55.803 -0.164 0.000 0.846 475 Q CB -0.175 28.479 28.738 -0.141 0.000 0.902 475 Q HN 0.382 nan 8.270 nan 0.000 0.421 476 K N 1.186 121.566 120.400 -0.033 0.000 2.026 476 K HA -0.161 4.160 4.320 0.001 0.000 0.208 476 K C 1.947 178.548 176.600 0.002 0.000 1.048 476 K CA 1.270 57.560 56.287 0.005 0.000 0.929 476 K CB -0.343 32.184 32.500 0.045 0.000 0.713 476 K HN 0.098 nan 8.250 nan 0.000 0.439 477 K N 0.753 121.161 120.400 0.014 0.000 2.026 477 K HA -0.099 4.221 4.320 0.001 0.000 0.208 477 K C 2.089 178.662 176.600 -0.046 0.000 1.048 477 K CA 1.358 57.648 56.287 0.006 0.000 0.929 477 K CB -0.192 32.335 32.500 0.044 0.000 0.713 477 K HN 0.120 nan 8.250 nan 0.000 0.439 478 A N 0.401 123.194 122.820 -0.046 0.000 1.865 478 A HA -0.158 4.163 4.320 0.001 0.000 0.217 478 A C 2.275 179.776 177.584 -0.139 0.000 1.191 478 A CA 1.983 53.958 52.037 -0.102 0.000 0.623 478 A CB -0.913 18.068 19.000 -0.031 0.000 0.826 478 A HN 0.169 nan 8.150 nan 0.000 0.444 479 V N 0.324 120.244 119.914 0.010 0.000 2.332 479 V HA -0.310 3.810 4.120 0.001 0.000 0.248 479 V C 2.555 178.657 176.094 0.012 0.000 1.055 479 V CA 2.490 64.844 62.300 0.090 0.000 1.038 479 V CB -0.722 31.127 31.823 0.044 0.000 0.651 479 V HN 0.710 nan 8.190 nan 0.000 0.450 480 K N 0.145 120.525 120.400 -0.033 0.000 2.044 480 K HA -0.260 4.060 4.320 0.001 0.000 0.210 480 K C 2.046 178.588 176.600 -0.097 0.000 1.049 480 K CA 2.045 58.304 56.287 -0.045 0.000 0.927 480 K CB -0.197 32.281 32.500 -0.037 0.000 0.713 480 K HN 0.456 nan 8.250 nan 0.000 0.443 481 N N 0.376 118.961 118.700 -0.192 0.000 2.043 481 N HA -0.163 4.577 4.740 0.001 0.000 0.193 481 N C 1.641 176.954 175.510 -0.329 0.000 1.037 481 N CA 1.452 54.321 53.050 -0.301 0.000 0.851 481 N CB -0.590 37.623 38.487 -0.457 0.000 1.027 481 N HN 0.140 nan 8.380 nan 0.000 0.422 482 F N 1.331 121.136 119.950 -0.241 0.000 2.216 482 F HA -0.088 4.440 4.527 0.001 0.000 0.300 482 F C 2.449 178.089 175.800 -0.267 0.000 1.085 482 F CA 0.899 58.630 58.000 -0.449 0.000 1.326 482 F CB -1.159 37.437 39.000 -0.674 0.000 1.027 482 F HN 0.029 nan 8.300 nan 0.000 0.497 483 T N -0.771 113.794 114.554 0.018 0.000 2.821 483 T HA -0.169 4.181 4.350 0.001 0.000 0.267 483 T C 1.758 176.459 174.700 0.001 0.000 1.046 483 T CA 1.386 63.500 62.100 0.023 0.000 1.139 483 T CB -0.299 68.576 68.868 0.011 0.000 0.871 483 T HN 0.332 nan 8.240 nan 0.000 0.454 484 E N 0.482 120.666 120.200 -0.028 0.000 2.209 484 E HA -0.089 4.261 4.350 0.001 0.000 0.196 484 E C 2.209 178.810 176.600 0.002 0.000 0.993 484 E CA 0.696 57.080 56.400 -0.027 0.000 0.819 484 E CB -0.166 29.504 29.700 -0.050 0.000 0.745 484 E HN 0.294 nan 8.360 nan 0.000 0.477 485 V N -0.446 119.485 119.914 0.028 0.000 2.323 485 V HA -0.112 4.008 4.120 0.001 0.000 0.244 485 V C 0.616 176.812 176.094 0.170 0.000 1.041 485 V CA 1.510 63.871 62.300 0.102 0.000 1.025 485 V CB -0.251 31.679 31.823 0.179 0.000 0.656 485 V HN 0.298 nan 8.190 nan 0.000 0.451 486 H N -2.603 116.485 119.070 0.030 0.000 3.139 486 H HA 0.249 4.806 4.556 0.001 0.000 0.325 486 H C -2.598 172.744 175.328 0.022 0.000 1.146 486 H CA -0.888 55.169 56.048 0.015 0.000 1.351 486 H CB 2.056 31.790 29.762 -0.047 0.000 2.005 486 H HN -0.199 nan 8.280 nan 0.000 0.517 487 P HA -0.134 nan 4.420 nan 0.000 0.215 487 P C 0.710 178.114 177.300 0.174 0.000 1.153 487 P CA 1.464 64.552 63.100 -0.019 0.000 0.853 487 P CB 0.308 31.929 31.700 -0.131 0.000 0.788 488 D N -2.078 118.589 120.400 0.444 0.000 2.178 488 D HA -0.189 4.452 4.640 0.001 0.000 0.201 488 D C 1.866 178.358 176.300 0.320 0.000 0.980 488 D CA 1.033 55.266 54.000 0.389 0.000 0.842 488 D CB -0.939 40.125 40.800 0.439 0.000 0.948 488 D HN 0.297 nan 8.370 nan 0.000 0.472 489 Y N 1.170 121.473 120.300 0.003 0.000 2.060 489 Y HA -0.222 4.328 4.550 0.001 0.000 0.276 489 Y C 2.565 178.444 175.900 -0.035 0.000 1.127 489 Y CA 1.394 59.361 58.100 -0.222 0.000 1.104 489 Y CB -0.272 37.898 38.460 -0.484 0.000 0.983 489 Y HN 0.022 nan 8.280 nan 0.000 0.483 490 G N -0.534 108.380 108.800 0.189 0.000 2.446 490 G HA2 -0.358 3.603 3.960 0.001 0.000 0.217 490 G HA3 -0.358 3.603 3.960 0.001 0.000 0.217 490 G C 1.759 176.729 174.900 0.117 0.000 1.168 490 G CA 1.360 46.528 45.100 0.113 0.000 0.771 490 G HN 0.547 nan 8.290 nan 0.000 0.551 491 S N 0.009 115.788 115.700 0.132 0.000 2.359 491 S HA -0.261 4.209 4.470 0.001 0.000 0.224 491 S C 2.152 176.844 174.600 0.154 0.000 1.035 491 S CA 1.766 60.032 58.200 0.111 0.000 1.018 491 S CB -0.793 62.462 63.200 0.090 0.000 0.876 491 S HN 0.451 nan 8.310 nan 0.000 0.448 492 H N 2.150 121.269 119.070 0.081 0.000 2.319 492 H HA 0.078 4.635 4.556 0.001 0.000 0.299 492 H C 1.975 177.328 175.328 0.042 0.000 1.092 492 H CA 1.880 57.968 56.048 0.067 0.000 1.302 492 H CB -0.708 29.112 29.762 0.097 0.000 1.373 492 H HN 0.492 nan 8.280 nan 0.000 0.497 493 I N 0.188 120.844 120.570 0.144 0.000 2.179 493 I HA -0.285 3.886 4.170 0.001 0.000 0.242 493 I C 2.652 178.790 176.117 0.036 0.000 1.088 493 I CA 1.558 62.859 61.300 0.002 0.000 1.357 493 I CB -0.277 37.649 38.000 -0.123 0.000 1.051 493 I HN 0.250 nan 8.210 nan 0.000 0.409 494 Q N 1.294 121.126 119.800 0.053 0.000 2.061 494 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 494 Q C 2.189 178.218 176.000 0.049 0.000 0.984 494 Q CA 2.340 58.167 55.803 0.040 0.000 0.846 494 Q CB -0.417 28.345 28.738 0.040 0.000 0.902 494 Q HN 0.486 nan 8.270 nan 0.000 0.421 495 A N 0.196 123.060 122.820 0.073 0.000 1.892 495 A HA -0.215 4.105 4.320 0.001 0.000 0.218 495 A C 2.159 179.762 177.584 0.032 0.000 1.188 495 A CA 1.818 53.889 52.037 0.057 0.000 0.631 495 A CB -0.967 18.083 19.000 0.083 0.000 0.822 495 A HN 0.468 nan 8.150 nan 0.000 0.447 496 L N -0.835 120.425 121.223 0.061 0.000 2.056 496 L HA -0.150 4.191 4.340 0.001 0.000 0.207 496 L C 2.589 179.472 176.870 0.022 0.000 1.078 496 L CA 0.924 55.758 54.840 -0.011 0.000 0.749 496 L CB -0.489 41.615 42.059 0.075 0.000 0.901 496 L HN 0.382 nan 8.230 nan 0.000 0.433 497 L N -0.385 120.905 121.223 0.112 0.000 2.042 497 L HA -0.254 4.086 4.340 0.001 0.000 0.210 497 L C 2.232 179.151 176.870 0.082 0.000 1.076 497 L CA 1.156 56.082 54.840 0.144 0.000 0.749 497 L CB -0.718 41.368 42.059 0.045 0.000 0.893 497 L HN 0.322 nan 8.230 nan 0.000 0.432 498 D N -0.053 120.363 120.400 0.026 0.000 2.182 498 D HA -0.215 4.426 4.640 0.001 0.000 0.201 498 D C 2.072 178.359 176.300 -0.020 0.000 0.986 498 D CA 1.213 55.216 54.000 0.005 0.000 0.847 498 D CB -0.019 40.780 40.800 -0.002 0.000 0.942 498 D HN 0.314 nan 8.370 nan 0.000 0.467 499 K N -0.401 119.949 120.400 -0.084 0.000 2.044 499 K HA -0.117 4.203 4.320 0.001 0.000 0.204 499 K C 2.033 178.561 176.600 -0.122 0.000 1.049 499 K CA 0.600 56.796 56.287 -0.151 0.000 0.945 499 K CB -0.098 32.235 32.500 -0.278 0.000 0.724 499 K HN 0.020 nan 8.250 nan 0.000 0.440 500 Y N 1.664 121.961 120.300 -0.005 0.000 2.256 500 Y HA -0.143 4.408 4.550 0.001 0.000 0.288 500 Y C 1.160 177.053 175.900 -0.011 0.000 1.155 500 Y CA 0.708 58.803 58.100 -0.009 0.000 1.203 500 Y CB -0.524 37.925 38.460 -0.018 0.000 0.980 500 Y HN 0.126 nan 8.280 nan 0.000 0.530 501 N N 0.000 118.777 118.700 0.129 0.000 1.763 501 N HA 0.000 4.741 4.740 0.001 0.000 0.220 501 N CA 0.000 53.092 53.050 0.070 0.000 0.885 501 N CB 0.000 38.516 38.487 0.048 0.000 1.341 501 N HN 0.000 nan 8.380 nan 0.000 0.667