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 2wk2_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDT DATA SEQUENCE GTTAKILLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLAPLKE PLLEKNKPYK QNSGKVVGSY FVEWGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKVSIHDPFA ALQKAQKGVT AWDDPYKGNF GQLMALKQAH PDLKILPSIG DATA SEQUENCE GWTLSDPFFF MGDKVKRDRF VGSVKEFLQT WKFFDGVDID WEFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSAET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLTQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA SQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAGV 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.581 177.584 -0.004 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 1.677 124.493 122.820 -0.007 0.000 2.386 25 A HA 0.689 5.009 4.320 0.001 0.000 0.246 25 A C -2.289 175.290 177.584 -0.009 0.000 1.089 25 A CA -0.788 51.242 52.037 -0.011 0.000 0.790 25 A CB -0.775 18.217 19.000 -0.014 0.000 1.042 25 A HN 0.566 nan 8.150 nan 0.000 0.497 26 P HA 0.280 nan 4.420 nan 0.000 0.272 26 P C 0.529 177.826 177.300 -0.005 0.000 1.240 26 P CA 0.237 63.331 63.100 -0.010 0.000 0.791 26 P CB 0.372 32.059 31.700 -0.021 0.000 0.978 27 G N 0.727 109.530 108.800 0.005 0.000 2.664 27 G HA2 0.090 4.050 3.960 0.001 0.000 0.242 27 G HA3 0.090 4.050 3.960 0.001 0.000 0.242 27 G C -0.503 174.400 174.900 0.006 0.000 1.225 27 G CA -0.399 44.711 45.100 0.016 0.000 0.849 27 G HN 0.456 nan 8.290 nan 0.000 0.581 28 K N 1.949 122.360 120.400 0.018 0.000 2.310 28 K HA 0.224 4.544 4.320 0.001 0.000 0.290 28 K C -1.958 174.656 176.600 0.022 0.000 1.077 28 K CA -1.482 54.810 56.287 0.009 0.000 0.922 28 K CB 0.816 33.328 32.500 0.020 0.000 1.057 28 K HN 0.230 nan 8.250 nan 0.000 0.479 29 P HA 0.076 nan 4.420 nan 0.000 0.274 29 P C -0.957 176.369 177.300 0.043 0.000 1.237 29 P CA -0.332 62.771 63.100 0.007 0.000 0.793 29 P CB 0.978 32.622 31.700 -0.094 0.000 0.977 30 T N 2.517 117.128 114.554 0.096 0.000 2.771 30 T HA 0.421 4.772 4.350 0.001 0.000 0.281 30 T C 0.600 175.356 174.700 0.093 0.000 0.982 30 T CA -0.448 61.720 62.100 0.113 0.000 0.978 30 T CB 0.295 69.330 68.868 0.277 0.000 0.930 30 T HN 0.217 nan 8.240 nan 0.000 0.447 31 I N 2.871 123.447 120.570 0.010 0.000 2.618 31 I HA 0.270 4.441 4.170 0.001 0.000 0.284 31 I C 1.082 177.145 176.117 -0.089 0.000 1.146 31 I CA -0.458 60.842 61.300 0.000 0.000 1.425 31 I CB 0.502 38.471 38.000 -0.053 0.000 1.383 31 I HN 0.663 nan 8.210 nan 0.000 0.562 32 A N 6.949 129.768 122.820 -0.002 0.000 2.407 32 A HA 0.188 4.508 4.320 0.001 0.000 0.248 32 A C -0.788 176.775 177.584 -0.034 0.000 1.082 32 A CA -0.336 51.696 52.037 -0.007 0.000 0.785 32 A CB 0.120 19.150 19.000 0.049 0.000 1.020 32 A HN 0.702 nan 8.150 nan 0.000 0.489 33 W N 1.181 122.543 121.300 0.105 0.000 2.223 33 W HA 0.432 5.093 4.660 0.001 0.000 0.334 33 W C 0.918 177.482 176.519 0.076 0.000 1.334 33 W CA 1.696 59.092 57.345 0.085 0.000 1.246 33 W CB 0.680 30.186 29.460 0.077 0.000 1.184 33 W HN 1.091 nan 8.180 nan 0.000 0.563 34 G N 1.808 110.807 108.800 0.333 0.000 2.320 34 G HA2 0.095 4.055 3.960 0.001 0.000 0.296 34 G HA3 0.095 4.055 3.960 0.001 0.000 0.296 34 G C -1.613 173.378 174.900 0.151 0.000 1.306 34 G CA -1.396 43.830 45.100 0.210 0.000 0.836 34 G HN 0.422 nan 8.290 nan 0.000 0.517 35 N N -0.511 118.241 118.700 0.086 0.000 2.492 35 N HA 0.358 5.099 4.740 0.001 0.000 0.262 35 N C 1.239 176.657 175.510 -0.153 0.000 1.202 35 N CA 0.991 53.994 53.050 -0.078 0.000 0.926 35 N CB 1.143 39.525 38.487 -0.175 0.000 1.078 35 N HN 0.745 nan 8.380 nan 0.000 0.454 36 T N -0.867 113.524 114.554 -0.271 0.000 3.091 36 T HA 0.262 4.612 4.350 0.001 0.000 0.277 36 T C -0.119 174.323 174.700 -0.429 0.000 0.996 36 T CA -0.229 61.772 62.100 -0.165 0.000 0.897 36 T CB -0.111 68.767 68.868 0.017 0.000 1.109 36 T HN 0.366 nan 8.240 nan 0.000 0.534 37 K N 1.218 121.104 120.400 -0.857 0.000 2.323 37 K HA 0.656 4.976 4.320 0.001 0.000 0.259 37 K C -1.576 174.448 176.600 -0.960 0.000 0.947 37 K CA -0.597 55.290 56.287 -0.667 0.000 0.819 37 K CB 1.636 33.857 32.500 -0.465 0.000 1.109 37 K HN 0.144 nan 8.250 nan 0.000 0.429 38 F N 0.434 120.298 119.950 -0.144 0.000 2.640 38 F HA 0.705 5.232 4.527 0.001 0.000 0.324 38 F C -0.354 175.339 175.800 -0.177 0.000 1.077 38 F CA -1.145 56.765 58.000 -0.149 0.000 0.965 38 F CB 1.926 40.844 39.000 -0.137 0.000 1.351 38 F HN 0.473 nan 8.300 nan 0.000 0.487 39 A N 0.756 123.594 122.820 0.030 0.000 2.455 39 A HA 0.681 5.001 4.320 0.001 0.000 0.300 39 A C -0.128 177.457 177.584 0.001 0.000 1.040 39 A CA -0.483 51.520 52.037 -0.057 0.000 0.697 39 A CB 0.897 19.809 19.000 -0.146 0.000 1.265 39 A HN 0.796 nan 8.150 nan 0.000 0.407 40 I N 1.093 121.674 120.570 0.018 0.000 2.333 40 I HA -0.035 4.135 4.170 0.001 0.000 0.246 40 I C 0.133 176.254 176.117 0.007 0.000 1.106 40 I CA 1.112 62.422 61.300 0.016 0.000 1.411 40 I CB 0.255 38.271 38.000 0.026 0.000 1.082 40 I HN 0.374 nan 8.210 nan 0.000 0.420 41 V N 2.213 122.155 119.914 0.046 0.000 2.328 41 V HA 0.213 4.333 4.120 0.001 0.000 0.278 41 V C -0.223 175.937 176.094 0.111 0.000 1.021 41 V CA -0.597 61.708 62.300 0.009 0.000 0.838 41 V CB 0.951 32.698 31.823 -0.126 0.000 0.999 41 V HN 0.162 nan 8.190 nan 0.000 0.447 42 E N 2.990 123.215 120.200 0.043 0.000 2.231 42 E HA 0.526 4.876 4.350 0.001 0.000 0.277 42 E C -1.080 175.572 176.600 0.088 0.000 0.999 42 E CA -0.569 55.862 56.400 0.051 0.000 0.827 42 E CB 2.328 32.037 29.700 0.015 0.000 1.101 42 E HN 0.460 nan 8.360 nan 0.000 0.393 43 V N 3.463 123.450 119.914 0.121 0.000 2.347 43 V HA 0.050 4.170 4.120 0.001 0.000 0.280 43 V C -0.085 176.065 176.094 0.094 0.000 1.021 43 V CA -0.740 61.649 62.300 0.148 0.000 0.847 43 V CB 1.371 33.333 31.823 0.231 0.000 0.990 43 V HN 0.649 nan 8.190 nan 0.000 0.444 44 D N 4.369 124.816 120.400 0.078 0.000 2.371 44 D HA 0.064 4.705 4.640 0.001 0.000 0.256 44 D C 0.888 177.240 176.300 0.087 0.000 1.193 44 D CA -0.055 53.986 54.000 0.067 0.000 0.881 44 D CB 1.519 42.349 40.800 0.050 0.000 1.143 44 D HN 0.441 nan 8.370 nan 0.000 0.473 45 Q N 2.278 122.131 119.800 0.088 0.000 2.472 45 Q HA 0.072 4.412 4.340 0.001 0.000 0.208 45 Q C 0.128 176.185 176.000 0.095 0.000 0.958 45 Q CA 0.397 56.264 55.803 0.106 0.000 0.932 45 Q CB 0.453 29.261 28.738 0.116 0.000 1.007 45 Q HN 0.508 nan 8.270 nan 0.000 0.508 46 A N 0.216 123.080 122.820 0.075 0.000 3.204 46 A HA 0.700 5.020 4.320 0.001 0.000 0.327 46 A C -0.601 177.018 177.584 0.059 0.000 0.998 46 A CA -0.047 52.027 52.037 0.061 0.000 0.891 46 A CB 0.235 19.261 19.000 0.044 0.000 1.061 46 A HN 0.043 nan 8.150 nan 0.000 0.478 47 A N -0.080 122.783 122.820 0.073 0.000 2.566 47 A HA 0.688 5.008 4.320 0.001 0.000 0.297 47 A C 0.424 178.062 177.584 0.089 0.000 1.059 47 A CA 0.271 52.350 52.037 0.070 0.000 0.691 47 A CB 0.589 19.628 19.000 0.064 0.000 1.282 47 A HN 0.982 nan 8.150 nan 0.000 0.401 48 T N -1.275 113.330 114.554 0.084 0.000 2.985 48 T HA 0.523 4.874 4.350 0.001 0.000 0.254 48 T C 0.771 175.543 174.700 0.119 0.000 1.021 48 T CA 0.839 63.000 62.100 0.101 0.000 0.957 48 T CB 0.135 69.049 68.868 0.077 0.000 1.047 48 T HN 1.703 nan 8.240 nan 0.000 0.511 49 A N 1.065 123.950 122.820 0.109 0.000 2.309 49 A HA 0.563 4.884 4.320 0.001 0.000 0.290 49 A C 0.745 178.434 177.584 0.175 0.000 1.206 49 A CA -0.726 51.389 52.037 0.130 0.000 0.850 49 A CB 0.049 19.103 19.000 0.091 0.000 1.118 49 A HN 0.344 nan 8.150 nan 0.000 0.523 50 Y N 3.476 123.838 120.300 0.104 0.000 2.102 50 Y HA -0.330 4.221 4.550 0.001 0.000 0.280 50 Y C 1.849 177.827 175.900 0.131 0.000 1.178 50 Y CA 2.892 61.079 58.100 0.145 0.000 1.146 50 Y CB -0.075 38.486 38.460 0.169 0.000 0.968 50 Y HN 0.778 nan 8.280 nan 0.000 0.504 51 N N 0.312 119.099 118.700 0.145 0.000 2.289 51 N HA -0.164 4.577 4.740 0.001 0.000 0.184 51 N C 1.068 176.568 175.510 -0.018 0.000 1.016 51 N CA 1.786 54.859 53.050 0.038 0.000 0.872 51 N CB -0.479 38.059 38.487 0.085 0.000 0.973 51 N HN 0.621 nan 8.380 nan 0.000 0.433 52 N N -0.573 118.134 118.700 0.011 0.000 2.415 52 N HA 0.075 4.816 4.740 0.001 0.000 0.174 52 N C 1.413 176.925 175.510 0.002 0.000 1.048 52 N CA -0.148 52.907 53.050 0.008 0.000 0.895 52 N CB 0.200 38.705 38.487 0.030 0.000 1.036 52 N HN 0.006 nan 8.380 nan 0.000 0.449 53 L N 0.792 122.018 121.223 0.005 0.000 2.083 53 L HA 0.044 4.384 4.340 0.001 0.000 0.209 53 L C -0.031 176.838 176.870 -0.003 0.000 1.083 53 L CA 1.209 56.067 54.840 0.029 0.000 0.752 53 L CB 0.181 42.287 42.059 0.077 0.000 0.899 53 L HN -0.142 nan 8.230 nan 0.000 0.433 54 V N 0.856 120.699 119.914 -0.119 0.000 2.378 54 V HA 0.317 4.438 4.120 0.001 0.000 0.288 54 V C -0.244 175.767 176.094 -0.139 0.000 1.016 54 V CA -0.759 61.461 62.300 -0.133 0.000 0.840 54 V CB 1.302 32.942 31.823 -0.304 0.000 0.994 54 V HN 0.123 nan 8.190 nan 0.000 0.431 55 K N 4.457 124.807 120.400 -0.083 0.000 2.425 55 K HA 0.610 4.930 4.320 0.001 0.000 0.259 55 K C -1.251 175.296 176.600 -0.088 0.000 0.978 55 K CA -0.477 55.765 56.287 -0.075 0.000 0.883 55 K CB 1.799 34.278 32.500 -0.035 0.000 1.110 55 K HN 0.491 nan 8.250 nan 0.000 0.436 56 V N 5.086 124.933 119.914 -0.111 0.000 2.432 56 V HA 0.243 4.363 4.120 0.001 0.000 0.271 56 V C -0.188 175.864 176.094 -0.070 0.000 1.046 56 V CA -0.325 61.905 62.300 -0.117 0.000 0.945 56 V CB 0.937 32.673 31.823 -0.144 0.000 0.992 56 V HN 0.743 nan 8.190 nan 0.000 0.471 57 K N 3.035 123.403 120.400 -0.054 0.000 2.295 57 K HA 0.460 4.780 4.320 0.001 0.000 0.239 57 K C 0.606 177.187 176.600 -0.031 0.000 0.991 57 K CA -0.688 55.578 56.287 -0.036 0.000 0.845 57 K CB 1.519 34.002 32.500 -0.027 0.000 1.197 57 K HN 0.455 nan 8.250 nan 0.000 0.441 58 N N 0.030 118.717 118.700 -0.022 0.000 2.396 58 N HA -0.025 4.716 4.740 0.001 0.000 0.180 58 N C -0.470 175.036 175.510 -0.008 0.000 1.028 58 N CA 0.404 53.446 53.050 -0.014 0.000 0.893 58 N CB 0.329 38.810 38.487 -0.009 0.000 0.967 58 N HN 0.486 nan 8.380 nan 0.000 0.440 59 A N -0.229 122.583 122.820 -0.013 0.000 2.605 59 A HA 0.719 5.039 4.320 0.001 0.000 0.294 59 A C -1.329 176.237 177.584 -0.031 0.000 1.062 59 A CA -0.798 51.231 52.037 -0.013 0.000 0.682 59 A CB 0.779 19.772 19.000 -0.011 0.000 1.278 59 A HN 0.083 nan 8.150 nan 0.000 0.410 60 A N 0.851 123.648 122.820 -0.038 0.000 2.407 60 A HA 0.535 4.855 4.320 0.001 0.000 0.248 60 A C -0.447 177.042 177.584 -0.158 0.000 1.082 60 A CA -0.159 51.842 52.037 -0.061 0.000 0.785 60 A CB 0.041 19.024 19.000 -0.028 0.000 1.020 60 A HN 0.644 nan 8.150 nan 0.000 0.489 61 D N 1.788 122.092 120.400 -0.161 0.000 2.347 61 D HA 0.383 5.023 4.640 0.001 0.000 0.235 61 D C -0.568 175.430 176.300 -0.504 0.000 1.149 61 D CA 0.245 54.088 54.000 -0.262 0.000 0.850 61 D CB 1.358 42.075 40.800 -0.138 0.000 1.061 61 D HN 0.156 nan 8.370 nan 0.000 0.487 62 V N 1.822 121.175 119.914 -0.935 0.000 2.547 62 V HA 0.433 4.553 4.120 0.001 0.000 0.299 62 V C 0.306 175.646 176.094 -1.257 0.000 1.040 62 V CA -0.477 60.850 62.300 -1.623 0.000 0.913 62 V CB 2.035 32.805 31.823 -1.755 0.000 0.992 62 V HN 0.425 nan 8.190 nan 0.000 0.449 63 S N 2.302 117.470 115.700 -0.888 0.000 2.536 63 S HA 0.835 5.306 4.470 0.001 0.000 0.287 63 S C -0.897 173.635 174.600 -0.113 0.000 1.101 63 S CA -0.585 57.400 58.200 -0.358 0.000 0.950 63 S CB 2.073 65.194 63.200 -0.130 0.000 1.056 63 S HN 0.472 nan 8.310 nan 0.000 0.481 64 V N 1.824 121.738 119.914 0.000 0.000 2.888 64 V HA 0.693 4.813 4.120 0.001 0.000 0.309 64 V C -0.414 175.750 176.094 0.117 0.000 1.114 64 V CA -0.546 61.827 62.300 0.121 0.000 0.940 64 V CB 2.302 34.245 31.823 0.199 0.000 1.021 64 V HN 0.852 nan 8.190 nan 0.000 0.426 65 S N 2.198 117.965 115.700 0.113 0.000 2.634 65 S HA 0.905 5.375 4.470 0.001 0.000 0.296 65 S C -1.515 173.178 174.600 0.154 0.000 1.104 65 S CA -0.620 57.555 58.200 -0.041 0.000 0.920 65 S CB 2.128 65.240 63.200 -0.145 0.000 1.111 65 S HN 0.886 nan 8.310 nan 0.000 0.493 66 W N 0.400 121.646 121.300 -0.089 0.000 3.066 66 W HA 0.705 5.366 4.660 0.001 0.000 0.330 66 W C -1.611 174.816 176.519 -0.154 0.000 1.253 66 W CA -0.606 56.678 57.345 -0.102 0.000 1.187 66 W CB 0.526 29.928 29.460 -0.096 0.000 1.434 66 W HN 0.377 nan 8.180 nan 0.000 0.572 67 N N 1.229 119.915 118.700 -0.023 0.000 2.265 67 N HA 0.616 5.357 4.740 0.001 0.000 0.300 67 N C -2.169 173.141 175.510 -0.334 0.000 1.148 67 N CA -0.743 52.085 53.050 -0.370 0.000 0.772 67 N CB 2.489 40.526 38.487 -0.750 0.000 1.434 67 N HN 0.592 nan 8.380 nan 0.000 0.481 68 L N 1.124 122.090 121.223 -0.428 0.000 2.342 68 L HA 0.458 4.798 4.340 0.001 0.000 0.276 68 L C -0.512 176.155 176.870 -0.338 0.000 0.997 68 L CA -0.384 54.307 54.840 -0.247 0.000 0.838 68 L CB 0.887 42.919 42.059 -0.045 0.000 1.224 68 L HN 0.647 nan 8.230 nan 0.000 0.416 69 W N 2.833 124.168 121.300 0.058 0.000 2.812 69 W HA 0.241 4.901 4.660 0.001 0.000 0.263 69 W C 0.124 176.664 176.519 0.036 0.000 1.284 69 W CA -0.289 57.082 57.345 0.043 0.000 1.430 69 W CB 0.330 29.814 29.460 0.040 0.000 1.088 69 W HN 0.477 nan 8.180 nan 0.000 0.623 70 N N -1.111 117.704 118.700 0.193 0.000 2.287 70 N HA 0.568 5.309 4.740 0.001 0.000 0.289 70 N C -0.096 175.459 175.510 0.075 0.000 1.066 70 N CA 0.128 53.253 53.050 0.126 0.000 0.841 70 N CB 2.173 40.733 38.487 0.121 0.000 1.599 70 N HN 0.036 nan 8.380 nan 0.000 0.476 71 G N 0.879 109.713 108.800 0.056 0.000 2.627 71 G HA2 -0.166 3.794 3.960 0.001 0.000 0.214 71 G HA3 -0.166 3.794 3.960 0.001 0.000 0.214 71 G C -1.544 173.373 174.900 0.027 0.000 1.331 71 G CA -0.744 44.378 45.100 0.037 0.000 0.891 71 G HN 0.658 nan 8.290 nan 0.000 0.539 72 D N 0.075 120.487 120.400 0.020 0.000 2.255 72 D HA 0.446 5.087 4.640 0.001 0.000 0.249 72 D C 1.978 178.288 176.300 0.016 0.000 1.078 72 D CA 0.552 54.561 54.000 0.016 0.000 0.896 72 D CB 1.211 42.017 40.800 0.010 0.000 1.194 72 D HN 0.787 nan 8.370 nan 0.000 0.429 73 T N 0.569 115.137 114.554 0.022 0.000 3.160 73 T HA 0.315 4.665 4.350 0.001 0.000 0.257 73 T C 1.154 175.873 174.700 0.032 0.000 1.147 73 T CA 0.402 62.525 62.100 0.038 0.000 1.064 73 T CB -0.336 68.567 68.868 0.059 0.000 0.949 73 T HN 0.734 nan 8.240 nan 0.000 0.526 74 G N 1.169 109.978 108.800 0.014 0.000 2.750 74 G HA2 -0.207 3.753 3.960 0.001 0.000 0.228 74 G HA3 -0.207 3.753 3.960 0.001 0.000 0.228 74 G C 0.562 175.467 174.900 0.008 0.000 1.367 74 G CA 0.426 45.527 45.100 0.001 0.000 0.871 74 G HN 0.975 nan 8.290 nan 0.000 0.560 75 T N -4.064 110.487 114.554 -0.005 0.000 2.955 75 T HA 0.498 4.849 4.350 0.001 0.000 0.251 75 T C 0.853 175.546 174.700 -0.010 0.000 1.002 75 T CA 1.483 63.581 62.100 -0.003 0.000 0.970 75 T CB 0.632 69.493 68.868 -0.012 0.000 1.091 75 T HN 1.013 nan 8.240 nan 0.000 0.495 76 T N 2.114 116.650 114.554 -0.030 0.000 2.876 76 T HA 0.773 5.123 4.350 0.001 0.000 0.289 76 T C -0.925 173.743 174.700 -0.053 0.000 1.014 76 T CA -0.613 61.455 62.100 -0.053 0.000 0.986 76 T CB 1.761 70.574 68.868 -0.092 0.000 1.021 76 T HN 0.463 nan 8.240 nan 0.000 0.458 77 A N 3.151 125.958 122.820 -0.022 0.000 2.330 77 A HA 0.799 5.120 4.320 0.001 0.000 0.327 77 A C -0.437 177.130 177.584 -0.028 0.000 1.155 77 A CA -0.750 51.252 52.037 -0.058 0.000 0.803 77 A CB 0.772 19.808 19.000 0.059 0.000 1.208 77 A HN 0.760 nan 8.150 nan 0.000 0.477 78 K N 1.775 122.102 120.400 -0.121 0.000 2.375 78 K HA 0.565 4.885 4.320 0.001 0.000 0.249 78 K C -1.201 175.332 176.600 -0.110 0.000 0.942 78 K CA -0.731 55.520 56.287 -0.060 0.000 0.806 78 K CB 2.060 34.485 32.500 -0.126 0.000 1.227 78 K HN 0.499 nan 8.250 nan 0.000 0.430 79 I N 4.048 124.581 120.570 -0.061 0.000 2.321 79 I HA 0.278 4.449 4.170 0.001 0.000 0.291 79 I C -0.206 175.773 176.117 -0.231 0.000 0.998 79 I CA -0.488 60.672 61.300 -0.233 0.000 1.227 79 I CB 0.581 38.297 38.000 -0.472 0.000 1.368 79 I HN 0.436 nan 8.210 nan 0.000 0.466 80 L N 6.803 127.925 121.223 -0.168 0.000 2.309 80 L HA 0.547 4.888 4.340 0.001 0.000 0.282 80 L C -0.385 176.429 176.870 -0.093 0.000 1.036 80 L CA -0.658 54.107 54.840 -0.125 0.000 0.806 80 L CB 1.600 43.606 42.059 -0.088 0.000 1.220 80 L HN 0.329 nan 8.230 nan 0.000 0.429 81 L N 4.251 125.425 121.223 -0.082 0.000 2.316 81 L HA 0.386 4.726 4.340 0.001 0.000 0.280 81 L C -0.167 176.749 176.870 0.077 0.000 1.006 81 L CA -0.637 54.192 54.840 -0.018 0.000 0.836 81 L CB 1.199 43.141 42.059 -0.196 0.000 1.221 81 L HN 0.678 nan 8.230 nan 0.000 0.418 82 N N 3.123 121.896 118.700 0.121 0.000 2.721 82 N HA -0.225 4.516 4.740 0.001 0.000 0.249 82 N C 1.014 176.548 175.510 0.040 0.000 1.072 82 N CA 1.273 54.380 53.050 0.094 0.000 0.710 82 N CB -0.907 37.660 38.487 0.134 0.000 0.993 82 N HN 1.125 nan 8.380 nan 0.000 0.547 83 G N -1.122 107.684 108.800 0.011 0.000 2.225 83 G HA2 -0.370 3.590 3.960 0.001 0.000 0.254 83 G HA3 -0.370 3.590 3.960 0.001 0.000 0.254 83 G C 0.021 174.904 174.900 -0.028 0.000 0.988 83 G CA 0.757 45.849 45.100 -0.013 0.000 0.625 83 G HN 0.672 nan 8.290 nan 0.000 0.527 84 K N 1.316 121.701 120.400 -0.024 0.000 2.183 84 K HA 0.490 4.811 4.320 0.001 0.000 0.274 84 K C 0.292 176.844 176.600 -0.080 0.000 1.009 84 K CA -0.593 55.670 56.287 -0.041 0.000 0.888 84 K CB 0.778 33.268 32.500 -0.017 0.000 1.078 84 K HN 0.272 nan 8.250 nan 0.000 0.459 85 E N 3.029 123.174 120.200 -0.092 0.000 2.376 85 E HA 0.016 4.366 4.350 0.001 0.000 0.266 85 E C -0.280 176.228 176.600 -0.152 0.000 1.009 85 E CA 0.075 56.399 56.400 -0.127 0.000 0.902 85 E CB 0.934 30.563 29.700 -0.119 0.000 0.972 85 E HN 0.740 nan 8.360 nan 0.000 0.439 86 A N 4.932 127.608 122.820 -0.241 0.000 2.324 86 A HA 0.164 4.485 4.320 0.001 0.000 0.220 86 A C -0.500 176.931 177.584 -0.254 0.000 1.209 86 A CA -0.231 51.630 52.037 -0.293 0.000 0.918 86 A CB 0.145 18.846 19.000 -0.497 0.000 0.959 86 A HN 0.745 nan 8.150 nan 0.000 0.507 87 W N -1.514 119.509 121.300 -0.463 0.000 3.464 87 W HA 0.560 5.220 4.660 0.001 0.000 0.292 87 W C -1.482 174.895 176.519 -0.237 0.000 1.262 87 W CA -0.053 57.094 57.345 -0.330 0.000 1.202 87 W CB 0.734 29.920 29.460 -0.457 0.000 1.334 87 W HN -0.038 nan 8.180 nan 0.000 0.561 88 S N 2.350 117.486 115.700 -0.939 0.000 2.536 88 S HA 0.880 5.350 4.470 0.001 0.000 0.271 88 S C -0.597 173.118 174.600 -1.475 0.000 1.134 88 S CA 0.067 57.747 58.200 -0.867 0.000 0.897 88 S CB 1.322 64.239 63.200 -0.471 0.000 1.094 88 S HN 1.178 nan 8.310 nan 0.000 0.473 89 G N 2.543 110.641 108.800 -1.171 0.000 2.663 89 G HA2 0.653 4.614 3.960 0.001 0.000 0.299 89 G HA3 0.653 4.614 3.960 0.001 0.000 0.299 89 G C -3.509 171.266 174.900 -0.209 0.000 1.372 89 G CA -1.012 43.685 45.100 -0.672 0.000 0.781 89 G HN 0.497 nan 8.290 nan 0.000 0.491 90 P HA 0.275 nan 4.420 nan 0.000 0.268 90 P C -0.271 177.098 177.300 0.114 0.000 1.204 90 P CA 0.052 63.159 63.100 0.010 0.000 0.768 90 P CB 1.308 33.018 31.700 0.017 0.000 0.842 91 S N 1.524 117.286 115.700 0.104 0.000 2.404 91 S HA 0.278 4.748 4.470 0.001 0.000 0.309 91 S C 0.878 175.551 174.600 0.122 0.000 1.076 91 S CA -0.212 58.092 58.200 0.174 0.000 1.095 91 S CB -0.635 62.642 63.200 0.129 0.000 0.972 91 S HN 0.533 nan 8.310 nan 0.000 0.484 92 T N 1.280 115.909 114.554 0.126 0.000 3.044 92 T HA 0.560 4.911 4.350 0.001 0.000 0.260 92 T C 0.703 175.427 174.700 0.040 0.000 1.019 92 T CA 0.132 62.272 62.100 0.067 0.000 0.921 92 T CB 0.328 69.229 68.868 0.055 0.000 1.053 92 T HN 0.773 nan 8.240 nan 0.000 0.533 93 G N -0.019 108.808 108.800 0.045 0.000 2.495 93 G HA2 0.425 4.386 3.960 0.001 0.000 0.294 93 G HA3 0.425 4.386 3.960 0.001 0.000 0.294 93 G C 0.090 174.986 174.900 -0.007 0.000 1.397 93 G CA -0.182 44.918 45.100 0.000 0.000 0.790 93 G HN -0.115 nan 8.290 nan 0.000 0.486 94 S N -0.594 115.068 115.700 -0.063 0.000 2.481 94 S HA 0.213 4.683 4.470 0.001 0.000 0.231 94 S C 0.968 175.447 174.600 -0.202 0.000 0.996 94 S CA 0.997 59.129 58.200 -0.114 0.000 0.942 94 S CB -0.088 63.023 63.200 -0.149 0.000 0.768 94 S HN 0.568 nan 8.310 nan 0.000 0.520 95 S N -0.388 115.162 115.700 -0.249 0.000 2.542 95 S HA 0.767 5.237 4.470 0.001 0.000 0.293 95 S C -0.047 174.167 174.600 -0.643 0.000 1.089 95 S CA -0.770 57.159 58.200 -0.452 0.000 0.961 95 S CB 2.121 65.098 63.200 -0.371 0.000 1.062 95 S HN 0.395 nan 8.310 nan 0.000 0.483 96 G N 0.416 108.386 108.800 -1.383 0.000 2.690 96 G HA2 0.672 4.633 3.960 0.001 0.000 0.291 96 G HA3 0.672 4.633 3.960 0.001 0.000 0.291 96 G C -1.575 172.254 174.900 -1.786 0.000 1.403 96 G CA -0.514 43.629 45.100 -1.594 0.000 0.864 96 G HN 0.580 nan 8.290 nan 0.000 0.480 97 T N -0.066 113.876 114.554 -1.021 0.000 2.886 97 T HA 0.715 5.066 4.350 0.001 0.000 0.292 97 T C -0.395 174.070 174.700 -0.392 0.000 1.012 97 T CA -0.122 61.638 62.100 -0.567 0.000 0.982 97 T CB 1.711 70.392 68.868 -0.312 0.000 1.018 97 T HN 1.169 nan 8.240 nan 0.000 0.451 98 A N 3.479 126.085 122.820 -0.358 0.000 2.343 98 A HA 0.779 5.100 4.320 0.001 0.000 0.316 98 A C -0.586 176.778 177.584 -0.366 0.000 1.104 98 A CA -0.875 50.653 52.037 -0.849 0.000 0.768 98 A CB 0.705 18.779 19.000 -1.543 0.000 1.213 98 A HN 0.707 nan 8.150 nan 0.000 0.456 99 N N 1.911 120.456 118.700 -0.259 0.000 2.417 99 N HA 0.741 5.481 4.740 0.001 0.000 0.274 99 N C -1.100 174.429 175.510 0.033 0.000 0.987 99 N CA 0.080 53.037 53.050 -0.156 0.000 0.912 99 N CB 1.543 39.975 38.487 -0.092 0.000 1.177 99 N HN 0.638 nan 8.380 nan 0.000 0.490 100 F N -1.209 118.649 119.950 -0.153 0.000 2.745 100 F HA 0.597 5.124 4.527 0.001 0.000 0.316 100 F C -0.772 174.968 175.800 -0.099 0.000 1.155 100 F CA -1.227 56.752 58.000 -0.036 0.000 0.937 100 F CB 1.466 40.492 39.000 0.044 0.000 1.361 100 F HN -0.097 nan 8.300 nan 0.000 0.472 101 K N 1.331 121.787 120.400 0.093 0.000 2.164 101 K HA 0.746 5.066 4.320 0.001 0.000 0.258 101 K C -1.610 175.017 176.600 0.045 0.000 0.951 101 K CA -1.064 55.206 56.287 -0.028 0.000 0.844 101 K CB 2.502 35.009 32.500 0.011 0.000 1.099 101 K HN 0.528 nan 8.250 nan 0.000 0.435 102 V N 3.430 123.315 119.914 -0.050 0.000 2.444 102 V HA 0.103 4.224 4.120 0.001 0.000 0.294 102 V C 0.078 176.172 176.094 0.001 0.000 1.022 102 V CA -0.901 61.386 62.300 -0.022 0.000 0.850 102 V CB 1.343 33.111 31.823 -0.092 0.000 0.992 102 V HN 0.854 nan 8.190 nan 0.000 0.426 103 N N 2.809 121.525 118.700 0.027 0.000 2.235 103 N HA 0.104 4.845 4.740 0.001 0.000 0.209 103 N C -0.081 175.471 175.510 0.069 0.000 1.122 103 N CA -0.240 52.833 53.050 0.038 0.000 0.845 103 N CB 0.474 38.978 38.487 0.029 0.000 1.004 103 N HN 0.690 nan 8.380 nan 0.000 0.499 104 K N -0.008 120.461 120.400 0.115 0.000 2.507 104 K HA 0.548 4.869 4.320 0.001 0.000 0.251 104 K C -0.236 176.510 176.600 0.242 0.000 0.943 104 K CA -0.808 55.575 56.287 0.159 0.000 0.794 104 K CB 1.701 34.305 32.500 0.174 0.000 1.188 104 K HN 0.069 nan 8.250 nan 0.000 0.428 105 G N 1.275 110.182 108.800 0.178 0.000 2.594 105 G HA2 0.539 4.499 3.960 0.001 0.000 0.243 105 G HA3 0.539 4.499 3.960 0.001 0.000 0.243 105 G C -0.125 174.847 174.900 0.119 0.000 1.229 105 G CA 0.212 45.423 45.100 0.185 0.000 0.843 105 G HN 0.871 nan 8.290 nan 0.000 0.578 106 G N -0.289 108.551 108.800 0.066 0.000 2.336 106 G HA2 0.388 4.348 3.960 0.001 0.000 0.300 106 G HA3 0.388 4.348 3.960 0.001 0.000 0.300 106 G C -1.166 173.606 174.900 -0.213 0.000 1.375 106 G CA -1.097 43.866 45.100 -0.229 0.000 0.885 106 G HN 0.686 nan 8.290 nan 0.000 0.599 107 R N -0.074 120.253 120.500 -0.288 0.000 2.295 107 R HA 0.566 4.906 4.340 0.001 0.000 0.324 107 R C -1.287 174.848 176.300 -0.276 0.000 0.968 107 R CA -0.479 55.539 56.100 -0.137 0.000 0.837 107 R CB 1.337 31.597 30.300 -0.067 0.000 1.133 107 R HN 0.510 nan 8.270 nan 0.000 0.450 108 Y N 0.875 121.211 120.300 0.060 0.000 2.429 108 Y HA 0.181 4.731 4.550 0.001 0.000 0.342 108 Y C 0.232 176.158 175.900 0.044 0.000 1.004 108 Y CA -0.992 57.139 58.100 0.052 0.000 1.075 108 Y CB 1.899 40.400 38.460 0.068 0.000 1.214 108 Y HN 0.207 nan 8.280 nan 0.000 0.455 109 Q N 4.166 124.074 119.800 0.179 0.000 2.402 109 Q HA 0.183 4.524 4.340 0.001 0.000 0.238 109 Q C -0.455 175.608 176.000 0.105 0.000 1.126 109 Q CA -0.335 55.532 55.803 0.108 0.000 0.904 109 Q CB 0.704 29.480 28.738 0.062 0.000 1.357 109 Q HN 0.717 nan 8.270 nan 0.000 0.491 110 M N 1.382 121.041 119.600 0.098 0.000 2.274 110 M HA 0.377 4.858 4.480 0.001 0.000 0.344 110 M C -0.735 175.573 176.300 0.013 0.000 1.161 110 M CA 0.363 55.699 55.300 0.060 0.000 1.126 110 M CB 1.296 33.949 32.600 0.088 0.000 1.522 110 M HN 0.253 nan 8.290 nan 0.000 0.461 111 Q N 1.753 121.536 119.800 -0.028 0.000 2.421 111 Q HA 0.721 5.061 4.340 0.001 0.000 0.280 111 Q C -1.662 174.267 176.000 -0.118 0.000 1.085 111 Q CA -1.176 54.590 55.803 -0.061 0.000 0.807 111 Q CB 3.007 31.709 28.738 -0.060 0.000 1.405 111 Q HN 0.722 nan 8.270 nan 0.000 0.419 112 V N 1.145 120.961 119.914 -0.163 0.000 2.427 112 V HA 0.772 4.893 4.120 0.001 0.000 0.286 112 V C -0.576 175.350 176.094 -0.280 0.000 1.034 112 V CA -0.445 61.667 62.300 -0.313 0.000 0.893 112 V CB 1.310 32.862 31.823 -0.453 0.000 0.982 112 V HN 0.820 nan 8.190 nan 0.000 0.452 113 A N 5.901 128.552 122.820 -0.283 0.000 2.355 113 A HA 0.886 5.207 4.320 0.001 0.000 0.317 113 A C -0.982 176.459 177.584 -0.238 0.000 1.094 113 A CA -0.598 51.312 52.037 -0.212 0.000 0.764 113 A CB 1.029 19.942 19.000 -0.146 0.000 1.230 113 A HN 0.778 nan 8.150 nan 0.000 0.448 114 L N 1.530 122.643 121.223 -0.183 0.000 2.313 114 L HA 0.507 4.848 4.340 0.001 0.000 0.283 114 L C -0.836 175.980 176.870 -0.090 0.000 1.013 114 L CA -0.522 54.233 54.840 -0.141 0.000 0.816 114 L CB 1.536 43.530 42.059 -0.110 0.000 1.236 114 L HN 0.705 nan 8.230 nan 0.000 0.419 115 c N 2.401 120.956 118.600 -0.076 0.000 2.561 115 c HA 0.703 5.274 4.570 0.001 0.000 0.319 115 c C 0.003 174.067 174.090 -0.044 0.000 1.198 115 c CA -0.735 55.557 56.329 -0.061 0.000 1.665 115 c CB 1.356 43.824 42.510 -0.070 0.000 2.258 115 c HN 0.954 nan 8.230 nan 0.000 0.493 116 N N 0.598 119.276 118.700 -0.036 0.000 3.387 116 N HA 0.568 5.309 4.740 0.001 0.000 0.322 116 N C 0.342 175.835 175.510 -0.029 0.000 1.588 116 N CA -0.214 52.818 53.050 -0.029 0.000 0.778 116 N CB 0.276 38.751 38.487 -0.019 0.000 1.883 116 N HN 0.488 nan 8.380 nan 0.000 0.628 117 A N -0.967 121.839 122.820 -0.024 0.000 2.070 117 A HA -0.094 4.227 4.320 0.001 0.000 0.220 117 A C 0.835 178.406 177.584 -0.021 0.000 1.159 117 A CA 1.433 53.456 52.037 -0.023 0.000 0.656 117 A CB -0.752 18.237 19.000 -0.019 0.000 0.800 117 A HN 0.677 nan 8.150 nan 0.000 0.453 118 D N -0.991 119.398 120.400 -0.019 0.000 2.339 118 D HA 0.349 4.990 4.640 0.001 0.000 0.217 118 D C 0.843 177.132 176.300 -0.019 0.000 1.050 118 D CA 1.122 55.112 54.000 -0.017 0.000 0.856 118 D CB 0.514 41.307 40.800 -0.013 0.000 0.922 118 D HN 0.520 nan 8.370 nan 0.000 0.518 119 G N -0.430 108.356 108.800 -0.024 0.000 2.369 119 G HA2 0.034 3.994 3.960 0.001 0.000 0.307 119 G HA3 0.034 3.994 3.960 0.001 0.000 0.307 119 G C -1.448 173.430 174.900 -0.035 0.000 1.327 119 G CA -0.867 44.217 45.100 -0.028 0.000 0.963 119 G HN 0.171 nan 8.290 nan 0.000 0.590 120 c N 0.071 118.647 118.600 -0.040 0.000 2.417 120 c HA 0.884 5.455 4.570 0.001 0.000 0.324 120 c C 0.258 174.318 174.090 -0.049 0.000 1.240 120 c CA -0.354 55.944 56.329 -0.052 0.000 1.632 120 c CB 1.205 43.679 42.510 -0.059 0.000 2.241 120 c HN 0.853 nan 8.230 nan 0.000 0.499 121 T N 2.562 117.082 114.554 -0.057 0.000 2.815 121 T HA 0.651 5.002 4.350 0.001 0.000 0.289 121 T C -0.210 174.448 174.700 -0.070 0.000 1.000 121 T CA -0.102 61.968 62.100 -0.050 0.000 0.958 121 T CB 1.338 70.184 68.868 -0.037 0.000 0.944 121 T HN 0.884 nan 8.240 nan 0.000 0.442 122 A N 2.967 125.749 122.820 -0.063 0.000 2.312 122 A HA 0.770 5.091 4.320 0.001 0.000 0.326 122 A C 0.736 178.283 177.584 -0.062 0.000 1.172 122 A CA -0.791 51.201 52.037 -0.076 0.000 0.821 122 A CB 0.495 19.457 19.000 -0.064 0.000 1.166 122 A HN 0.904 nan 8.150 nan 0.000 0.493 123 S N 2.134 117.789 115.700 -0.076 0.000 2.587 123 S HA 0.151 4.622 4.470 0.001 0.000 0.260 123 S C -0.108 174.471 174.600 -0.035 0.000 1.353 123 S CA -0.404 57.766 58.200 -0.050 0.000 0.995 123 S CB 0.112 63.276 63.200 -0.061 0.000 0.912 123 S HN 0.643 nan 8.310 nan 0.000 0.568 124 D N 1.111 121.497 120.400 -0.023 0.000 2.400 124 D HA 0.405 5.046 4.640 0.001 0.000 0.238 124 D C 0.350 176.636 176.300 -0.024 0.000 1.157 124 D CA 0.471 54.460 54.000 -0.019 0.000 0.889 124 D CB 0.483 41.274 40.800 -0.016 0.000 1.199 124 D HN 0.851 nan 8.370 nan 0.000 0.436 125 A N 1.745 124.557 122.820 -0.013 0.000 2.401 125 A HA 0.406 4.727 4.320 0.001 0.000 0.259 125 A C 0.241 177.824 177.584 -0.001 0.000 1.103 125 A CA -0.084 51.951 52.037 -0.003 0.000 0.789 125 A CB 0.348 19.353 19.000 0.009 0.000 1.035 125 A HN 0.399 nan 8.150 nan 0.000 0.491 126 T N 2.102 116.660 114.554 0.008 0.000 2.797 126 T HA 0.334 4.684 4.350 0.001 0.000 0.279 126 T C -0.092 174.643 174.700 0.058 0.000 0.991 126 T CA -0.361 61.749 62.100 0.016 0.000 0.979 126 T CB 1.077 69.942 68.868 -0.004 0.000 0.943 126 T HN 0.769 nan 8.240 nan 0.000 0.444 127 E N 3.698 123.935 120.200 0.061 0.000 2.344 127 E HA 0.367 4.717 4.350 0.001 0.000 0.270 127 E C -0.359 176.310 176.600 0.115 0.000 1.021 127 E CA -0.459 55.991 56.400 0.084 0.000 0.887 127 E CB 0.407 30.141 29.700 0.057 0.000 0.997 127 E HN 0.625 nan 8.360 nan 0.000 0.429 128 I N 0.665 121.341 120.570 0.176 0.000 2.797 128 I HA 0.573 4.743 4.170 0.001 0.000 0.307 128 I C -1.047 175.212 176.117 0.238 0.000 1.033 128 I CA -1.241 60.193 61.300 0.223 0.000 1.071 128 I CB 2.020 40.214 38.000 0.324 0.000 1.255 128 I HN 0.160 nan 8.210 nan 0.000 0.445 129 V N 4.578 124.615 119.914 0.205 0.000 2.417 129 V HA 0.412 4.532 4.120 0.001 0.000 0.291 129 V C -0.219 176.006 176.094 0.219 0.000 1.024 129 V CA -0.584 61.817 62.300 0.167 0.000 0.861 129 V CB 1.680 33.532 31.823 0.048 0.000 0.985 129 V HN 0.560 nan 8.190 nan 0.000 0.436 130 V N 4.728 124.788 119.914 0.244 0.000 2.326 130 V HA 0.633 4.754 4.120 0.001 0.000 0.281 130 V C 0.510 176.631 176.094 0.044 0.000 1.015 130 V CA -0.609 61.810 62.300 0.199 0.000 0.823 130 V CB 1.440 33.443 31.823 0.300 0.000 1.009 130 V HN 0.954 nan 8.190 nan 0.000 0.436 131 A N 3.659 126.360 122.820 -0.198 0.000 2.363 131 A HA 0.686 5.006 4.320 0.001 0.000 0.270 131 A C -0.341 177.155 177.584 -0.145 0.000 1.121 131 A CA 0.012 51.636 52.037 -0.688 0.000 0.800 131 A CB 0.673 19.065 19.000 -1.014 0.000 1.052 131 A HN 0.763 nan 8.150 nan 0.000 0.493 132 D N -0.319 120.131 120.400 0.083 0.000 2.602 132 D HA 0.394 5.035 4.640 0.001 0.000 0.236 132 D C 0.956 177.422 176.300 0.276 0.000 1.209 132 D CA 0.407 54.531 54.000 0.207 0.000 0.831 132 D CB 1.643 42.525 40.800 0.137 0.000 1.478 132 D HN 0.431 nan 8.370 nan 0.000 0.438 133 T N -1.750 112.862 114.554 0.097 0.000 3.148 133 T HA -0.016 4.335 4.350 0.001 0.000 0.253 133 T C 0.850 175.657 174.700 0.179 0.000 1.134 133 T CA 0.528 62.658 62.100 0.049 0.000 1.051 133 T CB -0.160 68.705 68.868 -0.006 0.000 0.959 133 T HN 0.400 nan 8.240 nan 0.000 0.525 134 D N 1.284 121.771 120.400 0.146 0.000 2.363 134 D HA 0.131 4.771 4.640 0.001 0.000 0.220 134 D C 1.713 178.069 176.300 0.094 0.000 0.994 134 D CA 0.645 54.719 54.000 0.123 0.000 0.890 134 D CB -0.926 39.924 40.800 0.083 0.000 0.906 134 D HN 0.561 nan 8.370 nan 0.000 0.530 135 G N 0.412 109.298 108.800 0.142 0.000 2.143 135 G HA2 -0.357 3.603 3.960 0.001 0.000 0.249 135 G HA3 -0.357 3.603 3.960 0.001 0.000 0.249 135 G C 1.093 175.977 174.900 -0.027 0.000 0.981 135 G CA 0.907 46.015 45.100 0.013 0.000 0.665 135 G HN 0.646 nan 8.290 nan 0.000 0.528 136 S N 0.429 116.198 115.700 0.115 0.000 2.493 136 S HA -0.163 4.308 4.470 0.001 0.000 0.243 136 S C 1.770 176.398 174.600 0.047 0.000 0.991 136 S CA 1.702 59.941 58.200 0.065 0.000 0.957 136 S CB -0.578 62.670 63.200 0.079 0.000 0.756 136 S HN 1.139 nan 8.310 nan 0.000 0.521 137 H N -0.155 118.916 119.070 0.001 0.000 2.586 137 H HA 0.491 5.047 4.556 0.001 0.000 0.273 137 H C 0.186 175.495 175.328 -0.032 0.000 0.997 137 H CA -0.596 55.442 56.048 -0.018 0.000 1.177 137 H CB -0.318 29.454 29.762 0.017 0.000 1.471 137 H HN 0.355 nan 8.280 nan 0.000 0.538 138 L N 1.676 122.609 121.223 -0.484 0.000 2.325 138 L HA 0.585 4.925 4.340 0.001 0.000 0.278 138 L C 0.405 177.143 176.870 -0.221 0.000 1.023 138 L CA -1.136 53.457 54.840 -0.412 0.000 0.811 138 L CB 1.767 43.543 42.059 -0.471 0.000 1.249 138 L HN 0.138 nan 8.230 nan 0.000 0.431 139 A N 4.271 126.992 122.820 -0.166 0.000 2.483 139 A HA 0.386 4.706 4.320 0.001 0.000 0.238 139 A C -2.293 175.210 177.584 -0.136 0.000 1.070 139 A CA -0.793 51.167 52.037 -0.127 0.000 0.770 139 A CB -0.605 18.335 19.000 -0.100 0.000 1.008 139 A HN 0.421 nan 8.150 nan 0.000 0.497 140 P HA 0.178 nan 4.420 nan 0.000 0.268 140 P C -0.634 176.593 177.300 -0.122 0.000 1.205 140 P CA -0.168 62.853 63.100 -0.133 0.000 0.771 140 P CB 0.400 32.018 31.700 -0.138 0.000 0.858 141 L N 2.974 124.125 121.223 -0.120 0.000 2.302 141 L HA 0.453 4.793 4.340 0.001 0.000 0.285 141 L C 0.289 177.116 176.870 -0.072 0.000 1.090 141 L CA 0.124 54.905 54.840 -0.098 0.000 0.866 141 L CB -1.010 40.986 42.059 -0.106 0.000 1.244 141 L HN 0.281 nan 8.230 nan 0.000 0.435 142 K N 4.504 124.860 120.400 -0.074 0.000 2.530 142 K HA 0.618 4.939 4.320 0.001 0.000 0.230 142 K C -0.490 176.092 176.600 -0.030 0.000 1.002 142 K CA -0.607 55.646 56.287 -0.057 0.000 1.014 142 K CB 0.523 32.964 32.500 -0.099 0.000 1.286 142 K HN 0.592 nan 8.250 nan 0.000 0.480 143 E N 2.194 122.391 120.200 -0.006 0.000 2.235 143 E HA 0.508 4.858 4.350 0.001 0.000 0.265 143 E C -2.234 174.362 176.600 -0.007 0.000 0.940 143 E CA -1.804 54.582 56.400 -0.022 0.000 0.819 143 E CB 1.845 31.518 29.700 -0.045 0.000 1.206 143 E HN 0.589 nan 8.360 nan 0.000 0.409 144 P HA 0.206 nan 4.420 nan 0.000 0.274 144 P C -0.070 177.229 177.300 -0.001 0.000 1.231 144 P CA -0.291 62.806 63.100 -0.006 0.000 0.790 144 P CB 0.672 32.365 31.700 -0.012 0.000 0.951 145 L N 1.575 122.805 121.223 0.012 0.000 2.485 145 L HA 0.135 4.475 4.340 0.001 0.000 0.275 145 L C 0.858 177.740 176.870 0.018 0.000 1.207 145 L CA 0.050 54.904 54.840 0.022 0.000 0.855 145 L CB -0.294 41.786 42.059 0.035 0.000 1.114 145 L HN 0.251 nan 8.230 nan 0.000 0.485 146 L N 2.134 123.373 121.223 0.027 0.000 2.298 146 L HA 0.442 4.783 4.340 0.001 0.000 0.268 146 L C 0.686 177.587 176.870 0.050 0.000 1.010 146 L CA -0.741 54.115 54.840 0.027 0.000 0.812 146 L CB 1.336 43.402 42.059 0.012 0.000 1.331 146 L HN 0.745 nan 8.230 nan 0.000 0.450 147 E N -0.019 120.209 120.200 0.047 0.000 3.464 147 E HA -0.331 4.020 4.350 0.001 0.000 0.362 147 E C 0.375 177.007 176.600 0.053 0.000 1.544 147 E CA 1.838 58.270 56.400 0.054 0.000 1.816 147 E CB -0.501 29.247 29.700 0.079 0.000 1.767 147 E HN 0.588 nan 8.360 nan 0.000 0.458 148 K N 1.419 121.860 120.400 0.068 0.000 2.417 148 K HA 0.161 4.481 4.320 0.001 0.000 0.196 148 K C -0.067 176.582 176.600 0.080 0.000 1.023 148 K CA -0.114 56.214 56.287 0.067 0.000 1.122 148 K CB -0.123 32.422 32.500 0.076 0.000 0.850 148 K HN 0.216 nan 8.250 nan 0.000 0.521 149 N N 2.741 121.492 118.700 0.085 0.000 2.454 149 N HA 0.024 4.765 4.740 0.001 0.000 0.260 149 N C -0.476 175.088 175.510 0.089 0.000 1.218 149 N CA 0.800 53.910 53.050 0.101 0.000 0.904 149 N CB 0.738 39.283 38.487 0.096 0.000 1.065 149 N HN 0.082 nan 8.380 nan 0.000 0.462 150 K N 2.334 122.809 120.400 0.125 0.000 2.259 150 K HA 0.466 4.787 4.320 0.001 0.000 0.249 150 K C -2.414 174.197 176.600 0.018 0.000 0.942 150 K CA -1.693 54.619 56.287 0.042 0.000 0.816 150 K CB 1.864 34.371 32.500 0.011 0.000 1.155 150 K HN 0.321 nan 8.250 nan 0.000 0.428 151 P HA 0.117 nan 4.420 nan 0.000 0.280 151 P C -1.412 175.727 177.300 -0.267 0.000 1.244 151 P CA -0.030 63.028 63.100 -0.070 0.000 0.784 151 P CB 0.406 32.074 31.700 -0.055 0.000 0.913 152 Y N 0.613 120.925 120.300 0.021 0.000 2.524 152 Y HA 0.407 4.957 4.550 0.001 0.000 0.344 152 Y C 0.983 176.897 175.900 0.025 0.000 1.012 152 Y CA -0.845 57.268 58.100 0.022 0.000 1.068 152 Y CB 2.358 40.832 38.460 0.022 0.000 1.249 152 Y HN 0.115 nan 8.280 nan 0.000 0.468 153 K N 1.670 122.170 120.400 0.168 0.000 2.143 153 K HA 0.248 4.568 4.320 0.001 0.000 0.272 153 K C -0.647 176.028 176.600 0.125 0.000 1.001 153 K CA -0.928 55.428 56.287 0.114 0.000 0.915 153 K CB 0.828 33.373 32.500 0.075 0.000 1.047 153 K HN 0.486 nan 8.250 nan 0.000 0.458 154 Q N 3.081 122.938 119.800 0.095 0.000 2.844 154 Q HA 0.028 4.369 4.340 0.001 0.000 0.235 154 Q C -0.067 175.976 176.000 0.071 0.000 1.336 154 Q CA 0.050 55.902 55.803 0.082 0.000 1.026 154 Q CB -0.180 28.600 28.738 0.070 0.000 1.513 154 Q HN 0.550 nan 8.270 nan 0.000 0.577 155 N N -1.674 117.070 118.700 0.073 0.000 2.197 155 N HA -0.062 4.678 4.740 0.001 0.000 0.228 155 N C 0.739 176.282 175.510 0.056 0.000 1.212 155 N CA 0.108 53.194 53.050 0.060 0.000 0.883 155 N CB 0.178 38.698 38.487 0.055 0.000 1.107 155 N HN 0.095 nan 8.380 nan 0.000 0.519 156 S N -0.889 114.846 115.700 0.058 0.000 2.489 156 S HA 0.212 4.683 4.470 0.001 0.000 0.228 156 S C 1.684 176.314 174.600 0.050 0.000 0.995 156 S CA 0.560 58.791 58.200 0.051 0.000 0.934 156 S CB -0.793 62.435 63.200 0.047 0.000 0.771 156 S HN 0.562 nan 8.310 nan 0.000 0.522 157 G N 1.125 109.959 108.800 0.058 0.000 2.168 157 G HA2 -0.243 3.718 3.960 0.001 0.000 0.263 157 G HA3 -0.243 3.718 3.960 0.001 0.000 0.263 157 G C 0.006 174.949 174.900 0.073 0.000 0.977 157 G CA 0.533 45.672 45.100 0.065 0.000 0.659 157 G HN 0.511 nan 8.290 nan 0.000 0.533 158 K N 0.182 120.621 120.400 0.067 0.000 2.098 158 K HA 0.596 4.916 4.320 0.001 0.000 0.258 158 K C 0.679 177.324 176.600 0.074 0.000 0.973 158 K CA -0.837 55.489 56.287 0.065 0.000 0.898 158 K CB 1.939 34.469 32.500 0.050 0.000 1.057 158 K HN 0.069 nan 8.250 nan 0.000 0.447 159 V N 2.169 122.112 119.914 0.048 0.000 2.599 159 V HA 0.035 4.155 4.120 0.001 0.000 0.300 159 V C 0.111 176.256 176.094 0.084 0.000 1.034 159 V CA -0.165 62.147 62.300 0.021 0.000 1.115 159 V CB 0.759 32.468 31.823 -0.188 0.000 0.934 159 V HN 0.348 nan 8.190 nan 0.000 0.485 160 V N 4.966 124.957 119.914 0.128 0.000 2.398 160 V HA 0.700 4.821 4.120 0.001 0.000 0.282 160 V C 0.472 176.650 176.094 0.141 0.000 1.014 160 V CA -0.173 62.193 62.300 0.109 0.000 0.838 160 V CB 1.288 33.144 31.823 0.055 0.000 1.018 160 V HN 0.980 nan 8.190 nan 0.000 0.432 161 G N 2.017 110.913 108.800 0.161 0.000 2.473 161 G HA2 0.760 4.721 3.960 0.001 0.000 0.321 161 G HA3 0.760 4.721 3.960 0.001 0.000 0.321 161 G C -1.007 173.957 174.900 0.105 0.000 1.200 161 G CA -0.610 44.567 45.100 0.127 0.000 0.963 161 G HN 0.645 nan 8.290 nan 0.000 0.483 162 S N -1.204 114.511 115.700 0.025 0.000 2.570 162 S HA 0.603 5.073 4.470 0.001 0.000 0.270 162 S C -1.855 172.715 174.600 -0.051 0.000 1.149 162 S CA -0.592 57.641 58.200 0.055 0.000 0.837 162 S CB 1.042 64.259 63.200 0.028 0.000 1.124 162 S HN 0.419 nan 8.310 nan 0.000 0.465 163 Y N 1.917 122.194 120.300 -0.038 0.000 2.320 163 Y HA 0.534 5.084 4.550 0.001 0.000 0.334 163 Y C -0.251 175.465 175.900 -0.306 0.000 1.055 163 Y CA -0.292 57.720 58.100 -0.147 0.000 1.143 163 Y CB 1.008 39.354 38.460 -0.189 0.000 1.193 163 Y HN 0.590 nan 8.280 nan 0.000 0.477 164 F N 4.838 124.646 119.950 -0.236 0.000 2.436 164 F HA 0.593 5.120 4.527 0.001 0.000 0.340 164 F C -0.634 174.818 175.800 -0.579 0.000 1.113 164 F CA -1.230 56.568 58.000 -0.337 0.000 1.022 164 F CB 0.776 39.715 39.000 -0.103 0.000 1.128 164 F HN 0.236 nan 8.300 nan 0.000 0.466 165 V N 3.904 122.946 119.914 -1.453 0.000 2.407 165 V HA 0.357 4.477 4.120 0.001 0.000 0.278 165 V C 1.074 176.201 176.094 -1.611 0.000 1.037 165 V CA -0.408 60.862 62.300 -1.716 0.000 0.900 165 V CB 1.443 31.883 31.823 -2.304 0.000 0.983 165 V HN 1.041 nan 8.190 nan 0.000 0.459 166 E N 3.927 123.457 120.200 -1.116 0.000 2.114 166 E HA -0.241 4.109 4.350 0.001 0.000 0.199 166 E C 1.446 177.906 176.600 -0.234 0.000 1.008 166 E CA 2.734 58.877 56.400 -0.428 0.000 0.810 166 E CB -0.118 29.565 29.700 -0.029 0.000 0.739 166 E HN 1.016 nan 8.360 nan 0.000 0.456 167 W N -0.771 120.439 121.300 -0.150 0.000 3.047 167 W HA 0.352 5.013 4.660 0.001 0.000 0.250 167 W C 1.614 178.049 176.519 -0.140 0.000 1.314 167 W CA 0.133 57.471 57.345 -0.013 0.000 1.540 167 W CB -0.577 28.905 29.460 0.037 0.000 1.127 167 W HN -0.017 nan 8.180 nan 0.000 0.679 168 G N 1.774 110.149 108.800 -0.708 0.000 2.625 168 G HA2 -0.175 3.785 3.960 0.001 0.000 0.214 168 G HA3 -0.175 3.785 3.960 0.001 0.000 0.214 168 G C 1.294 175.990 174.900 -0.340 0.000 1.132 168 G CA 1.322 46.056 45.100 -0.610 0.000 0.782 168 G HN 0.489 nan 8.290 nan 0.000 0.538 169 V N -3.022 116.688 119.914 -0.340 0.000 3.380 169 V HA 0.159 4.279 4.120 0.001 0.000 0.268 169 V C 1.687 177.595 176.094 -0.311 0.000 1.168 169 V CA 0.349 62.465 62.300 -0.305 0.000 1.156 169 V CB -0.933 30.687 31.823 -0.337 0.000 0.785 169 V HN 0.262 nan 8.190 nan 0.000 0.487 170 Y N 2.106 122.401 120.300 -0.009 0.000 2.858 170 Y HA 0.585 5.136 4.550 0.001 0.000 0.196 170 Y C 2.684 178.573 175.900 -0.017 0.000 0.925 170 Y CA 1.026 59.139 58.100 0.022 0.000 1.172 170 Y CB -1.118 37.375 38.460 0.054 0.000 1.050 170 Y HN 0.062 nan 8.280 nan 0.000 0.460 171 G N -0.041 108.840 108.800 0.136 0.000 2.450 171 G HA2 -0.203 3.758 3.960 0.001 0.000 0.220 171 G HA3 -0.203 3.758 3.960 0.001 0.000 0.220 171 G C 1.522 176.336 174.900 -0.142 0.000 1.130 171 G CA 0.783 45.908 45.100 0.043 0.000 0.760 171 G HN 0.273 nan 8.290 nan 0.000 0.557 172 R N -0.588 119.661 120.500 -0.419 0.000 2.236 172 R HA 0.057 4.397 4.340 0.001 0.000 0.208 172 R C 1.177 177.454 176.300 -0.038 0.000 1.036 172 R CA 0.405 56.224 56.100 -0.469 0.000 1.001 172 R CB -0.097 29.812 30.300 -0.652 0.000 0.896 172 R HN 0.317 nan 8.270 nan 0.000 0.464 173 N N -0.261 118.430 118.700 -0.016 0.000 2.708 173 N HA -0.258 4.482 4.740 0.001 0.000 0.249 173 N C -1.427 174.120 175.510 0.062 0.000 1.097 173 N CA 0.525 53.595 53.050 0.033 0.000 0.710 173 N CB -1.044 37.489 38.487 0.076 0.000 1.032 173 N HN 0.202 nan 8.380 nan 0.000 0.551 174 F N 0.802 120.685 119.950 -0.112 0.000 2.375 174 F HA 0.497 5.024 4.527 0.001 0.000 0.361 174 F C 0.663 176.489 175.800 0.042 0.000 1.117 174 F CA -0.000 57.966 58.000 -0.056 0.000 1.037 174 F CB 0.731 39.659 39.000 -0.121 0.000 1.192 174 F HN 0.131 nan 8.300 nan 0.000 0.452 175 T N 1.365 115.869 114.554 -0.082 0.000 2.938 175 T HA 0.367 4.718 4.350 0.001 0.000 0.285 175 T C 0.878 175.547 174.700 -0.052 0.000 1.028 175 T CA -0.740 61.401 62.100 0.067 0.000 1.005 175 T CB 1.436 70.260 68.868 -0.074 0.000 1.157 175 T HN 0.238 nan 8.240 nan 0.000 0.550 176 V N 1.770 121.570 119.914 -0.190 0.000 2.490 176 V HA -0.140 3.981 4.120 0.001 0.000 0.250 176 V C 2.529 178.463 176.094 -0.266 0.000 1.061 176 V CA 2.226 64.278 62.300 -0.414 0.000 1.064 176 V CB -0.918 30.625 31.823 -0.467 0.000 0.670 176 V HN 1.032 nan 8.190 nan 0.000 0.461 177 D N 0.249 120.517 120.400 -0.221 0.000 2.310 177 D HA -0.205 4.435 4.640 0.001 0.000 0.212 177 D C 1.587 177.759 176.300 -0.214 0.000 0.965 177 D CA 0.794 54.684 54.000 -0.183 0.000 0.879 177 D CB -0.178 40.533 40.800 -0.148 0.000 0.921 177 D HN 0.428 nan 8.370 nan 0.000 0.510 178 K N 0.289 120.475 120.400 -0.356 0.000 2.444 178 K HA 0.208 4.528 4.320 0.001 0.000 0.193 178 K C 0.785 177.222 176.600 -0.272 0.000 1.024 178 K CA -0.154 55.850 56.287 -0.472 0.000 1.077 178 K CB 0.638 32.527 32.500 -1.018 0.000 0.833 178 K HN 0.202 nan 8.250 nan 0.000 0.517 179 I N 4.216 124.721 120.570 -0.109 0.000 2.556 179 I HA 0.009 4.179 4.170 0.001 0.000 0.284 179 I C -1.819 174.316 176.117 0.030 0.000 1.114 179 I CA -1.855 59.504 61.300 0.098 0.000 1.418 179 I CB 0.452 38.473 38.000 0.035 0.000 1.394 179 I HN -0.148 nan 8.210 nan 0.000 0.552 180 P HA 0.079 nan 4.420 nan 0.000 0.235 180 P C 0.490 177.769 177.300 -0.034 0.000 1.765 180 P CA -0.047 63.073 63.100 0.033 0.000 1.034 180 P CB 0.365 32.109 31.700 0.073 0.000 1.984 181 A N 2.938 125.684 122.820 -0.123 0.000 2.015 181 A HA -0.207 4.113 4.320 0.001 0.000 0.219 181 A C 2.193 179.524 177.584 -0.422 0.000 1.163 181 A CA 1.224 53.079 52.037 -0.303 0.000 0.646 181 A CB -0.741 17.982 19.000 -0.461 0.000 0.806 181 A HN 0.499 nan 8.150 nan 0.000 0.448 182 Q N -0.718 118.906 119.800 -0.293 0.000 2.291 182 Q HA -0.112 4.229 4.340 0.001 0.000 0.205 182 Q C 0.324 176.314 176.000 -0.018 0.000 0.970 182 Q CA 1.343 57.077 55.803 -0.115 0.000 0.876 182 Q CB -0.415 28.378 28.738 0.091 0.000 0.935 182 Q HN 0.480 nan 8.270 nan 0.000 0.455 183 N N 0.459 119.159 118.700 -0.000 0.000 2.313 183 N HA 0.276 5.017 4.740 0.001 0.000 0.207 183 N C -0.707 174.811 175.510 0.014 0.000 1.141 183 N CA 0.268 53.349 53.050 0.052 0.000 0.830 183 N CB 0.435 38.975 38.487 0.090 0.000 1.008 183 N HN 0.233 nan 8.380 nan 0.000 0.481 184 L N -0.836 120.379 121.223 -0.013 0.000 2.354 184 L HA 0.376 4.717 4.340 0.001 0.000 0.264 184 L C 1.355 178.236 176.870 0.018 0.000 1.008 184 L CA -0.486 54.359 54.840 0.008 0.000 0.819 184 L CB 2.176 44.227 42.059 -0.014 0.000 1.339 184 L HN -0.051 nan 8.230 nan 0.000 0.420 185 T N -3.795 110.811 114.554 0.087 0.000 3.040 185 T HA 0.154 4.505 4.350 0.001 0.000 0.252 185 T C 0.319 174.990 174.700 -0.049 0.000 1.064 185 T CA 0.409 62.555 62.100 0.076 0.000 1.110 185 T CB -0.022 68.977 68.868 0.217 0.000 0.921 185 T HN 0.501 nan 8.240 nan 0.000 0.480 186 H N 0.174 119.254 119.070 0.017 0.000 2.689 186 H HA 0.695 5.252 4.556 0.001 0.000 0.346 186 H C -1.560 173.749 175.328 -0.031 0.000 1.037 186 H CA -0.952 55.107 56.048 0.017 0.000 1.234 186 H CB 1.802 31.594 29.762 0.049 0.000 1.572 186 H HN 0.141 nan 8.280 nan 0.000 0.524 187 L N 4.332 125.582 121.223 0.046 0.000 2.319 187 L HA 0.457 4.797 4.340 0.001 0.000 0.281 187 L C -1.589 175.293 176.870 0.021 0.000 1.005 187 L CA -0.358 54.490 54.840 0.013 0.000 0.828 187 L CB 0.682 42.746 42.059 0.010 0.000 1.227 187 L HN 0.565 nan 8.230 nan 0.000 0.415 188 L N 5.130 126.272 121.223 -0.135 0.000 2.289 188 L HA 0.357 4.697 4.340 0.001 0.000 0.285 188 L C -1.138 175.769 176.870 0.063 0.000 1.049 188 L CA -0.747 53.968 54.840 -0.209 0.000 0.804 188 L CB 1.292 42.730 42.059 -1.034 0.000 1.195 188 L HN 0.588 nan 8.230 nan 0.000 0.428 189 Y N 1.974 122.348 120.300 0.123 0.000 2.434 189 Y HA 0.509 5.059 4.550 0.001 0.000 0.341 189 Y C 0.490 176.481 175.900 0.151 0.000 0.965 189 Y CA -0.688 57.553 58.100 0.235 0.000 1.205 189 Y CB 1.390 40.104 38.460 0.423 0.000 1.121 189 Y HN 0.546 nan 8.280 nan 0.000 0.507 190 G N 6.074 114.648 108.800 -0.376 0.000 2.329 190 G HA2 0.514 4.475 3.960 0.001 0.000 0.309 190 G HA3 0.514 4.475 3.960 0.001 0.000 0.309 190 G C -1.622 173.000 174.900 -0.463 0.000 1.110 190 G CA -0.161 44.417 45.100 -0.869 0.000 0.923 190 G HN 0.474 nan 8.290 nan 0.000 0.430 191 F N 1.306 121.446 119.950 0.316 0.000 2.654 191 F HA 0.415 4.942 4.527 0.001 0.000 0.308 191 F C -0.361 175.657 175.800 0.364 0.000 1.108 191 F CA -1.196 57.032 58.000 0.378 0.000 0.957 191 F CB 1.923 41.160 39.000 0.394 0.000 1.309 191 F HN 0.162 nan 8.300 nan 0.000 0.446 192 I N 4.763 125.631 120.570 0.498 0.000 2.342 192 I HA 0.290 4.460 4.170 0.001 0.000 0.291 192 I C -2.213 173.981 176.117 0.128 0.000 1.010 192 I CA -2.614 58.843 61.300 0.262 0.000 1.308 192 I CB 0.725 38.729 38.000 0.006 0.000 1.400 192 I HN 0.232 nan 8.210 nan 0.000 0.488 193 P HA 0.463 nan 4.420 nan 0.000 0.280 193 P C -0.726 176.458 177.300 -0.194 0.000 1.272 193 P CA -0.554 62.462 63.100 -0.141 0.000 0.819 193 P CB 1.783 33.318 31.700 -0.275 0.000 1.122 194 I N 0.477 120.880 120.570 -0.279 0.000 2.404 194 I HA 0.241 4.411 4.170 0.001 0.000 0.293 194 I C 0.488 176.393 176.117 -0.353 0.000 0.992 194 I CA -0.845 60.281 61.300 -0.291 0.000 1.149 194 I CB 1.269 39.011 38.000 -0.430 0.000 1.315 194 I HN 0.249 nan 8.210 nan 0.000 0.446 195 c N 4.530 122.944 118.600 -0.310 0.000 2.676 195 c HA 0.637 5.207 4.570 0.001 0.000 0.416 195 c C 0.825 174.623 174.090 -0.488 0.000 1.299 195 c CA 0.127 56.258 56.329 -0.330 0.000 2.048 195 c CB -0.421 41.955 42.510 -0.224 0.000 2.713 195 c HN 1.018 nan 8.230 nan 0.000 0.624 196 G N 1.863 110.399 108.800 -0.440 0.000 2.270 196 G HA2 0.495 4.456 3.960 0.001 0.000 0.295 196 G HA3 0.495 4.456 3.960 0.001 0.000 0.295 196 G C -0.350 174.346 174.900 -0.340 0.000 1.732 196 G CA -0.011 44.807 45.100 -0.471 0.000 0.909 196 G HN 1.067 nan 8.290 nan 0.000 0.730 197 G N 0.674 109.339 108.800 -0.225 0.000 3.086 197 G HA2 0.420 4.380 3.960 0.001 0.000 0.159 197 G HA3 0.420 4.380 3.960 0.001 0.000 0.159 197 G C 0.283 175.323 174.900 0.233 0.000 1.654 197 G CA -0.528 44.552 45.100 -0.033 0.000 1.078 197 G HN 0.714 nan 8.290 nan 0.000 0.558 198 N N 0.744 119.603 118.700 0.264 0.000 2.412 198 N HA 0.275 5.015 4.740 0.001 0.000 0.254 198 N C 1.236 176.762 175.510 0.026 0.000 1.232 198 N CA 1.295 54.415 53.050 0.116 0.000 0.880 198 N CB 0.937 39.452 38.487 0.047 0.000 1.076 198 N HN 1.022 nan 8.380 nan 0.000 0.458 199 G N 1.154 109.964 108.800 0.016 0.000 2.253 199 G HA2 -0.288 3.673 3.960 0.001 0.000 0.251 199 G HA3 -0.288 3.673 3.960 0.001 0.000 0.251 199 G C 0.816 175.725 174.900 0.014 0.000 0.998 199 G CA 0.484 45.602 45.100 0.030 0.000 0.621 199 G HN 0.557 nan 8.290 nan 0.000 0.524 200 I N -0.549 119.982 120.570 -0.066 0.000 3.565 200 I HA 0.229 4.399 4.170 0.001 0.000 0.287 200 I C 1.133 177.220 176.117 -0.049 0.000 1.193 200 I CA 0.347 61.535 61.300 -0.186 0.000 1.402 200 I CB 0.191 37.912 38.000 -0.465 0.000 1.284 200 I HN 0.038 nan 8.210 nan 0.000 0.454 201 N N 0.894 119.604 118.700 0.018 0.000 2.480 201 N HA 0.081 4.822 4.740 0.001 0.000 0.281 201 N C -0.046 175.573 175.510 0.182 0.000 1.381 201 N CA 0.091 53.175 53.050 0.057 0.000 0.903 201 N CB 0.558 39.024 38.487 -0.035 0.000 1.274 201 N HN 0.131 nan 8.380 nan 0.000 0.505 202 D N 0.216 120.663 120.400 0.078 0.000 2.178 202 D HA -0.063 4.577 4.640 0.001 0.000 0.201 202 D C 1.482 177.754 176.300 -0.046 0.000 0.980 202 D CA 1.049 55.026 54.000 -0.039 0.000 0.842 202 D CB 0.186 40.944 40.800 -0.071 0.000 0.948 202 D HN 0.107 nan 8.370 nan 0.000 0.472 203 S N 0.521 116.197 115.700 -0.039 0.000 2.419 203 S HA -0.097 4.374 4.470 0.001 0.000 0.235 203 S C 2.111 176.700 174.600 -0.018 0.000 1.019 203 S CA 0.384 58.543 58.200 -0.068 0.000 0.982 203 S CB -0.158 62.948 63.200 -0.156 0.000 0.789 203 S HN 0.326 nan 8.310 nan 0.000 0.490 204 L N 0.928 122.178 121.223 0.046 0.000 2.191 204 L HA -0.091 4.249 4.340 0.001 0.000 0.212 204 L C 2.221 179.155 176.870 0.106 0.000 1.103 204 L CA 1.077 55.983 54.840 0.110 0.000 0.769 204 L CB -0.425 41.761 42.059 0.211 0.000 0.908 204 L HN 0.282 nan 8.230 nan 0.000 0.438 205 K N -0.203 120.214 120.400 0.029 0.000 2.360 205 K HA -0.142 4.178 4.320 0.001 0.000 0.201 205 K C 1.706 178.290 176.600 -0.027 0.000 1.046 205 K CA 0.710 56.960 56.287 -0.061 0.000 0.945 205 K CB 0.028 32.380 32.500 -0.248 0.000 0.750 205 K HN 0.279 nan 8.250 nan 0.000 0.464 206 E N 0.375 120.571 120.200 -0.006 0.000 2.427 206 E HA -0.049 4.302 4.350 0.001 0.000 0.196 206 E C -0.040 176.573 176.600 0.022 0.000 1.028 206 E CA 0.633 57.039 56.400 0.011 0.000 0.864 206 E CB 0.126 29.845 29.700 0.032 0.000 0.813 206 E HN 0.218 nan 8.360 nan 0.000 0.514 207 I N 1.384 121.970 120.570 0.026 0.000 2.362 207 I HA 0.058 4.228 4.170 0.001 0.000 0.289 207 I C 0.323 176.452 176.117 0.019 0.000 0.994 207 I CA -0.681 60.627 61.300 0.014 0.000 1.158 207 I CB 1.539 39.537 38.000 -0.004 0.000 1.315 207 I HN -0.193 nan 8.210 nan 0.000 0.451 208 E N 5.171 125.375 120.200 0.007 0.000 2.585 208 E HA 0.183 4.534 4.350 0.001 0.000 0.252 208 E C 1.385 177.990 176.600 0.008 0.000 0.981 208 E CA 1.205 57.610 56.400 0.009 0.000 0.943 208 E CB 0.148 29.848 29.700 0.000 0.000 0.923 208 E HN 0.877 nan 8.360 nan 0.000 0.486 209 G N 3.149 111.968 108.800 0.032 0.000 2.220 209 G HA2 -0.418 3.543 3.960 0.001 0.000 0.269 209 G HA3 -0.418 3.543 3.960 0.001 0.000 0.269 209 G C 1.106 176.047 174.900 0.067 0.000 0.977 209 G CA 0.847 45.971 45.100 0.039 0.000 0.634 209 G HN 0.613 nan 8.290 nan 0.000 0.539 210 S N -0.936 114.817 115.700 0.088 0.000 2.371 210 S HA 0.112 4.582 4.470 0.001 0.000 0.224 210 S C 1.964 176.720 174.600 0.260 0.000 1.029 210 S CA 1.585 59.867 58.200 0.137 0.000 0.978 210 S CB -0.261 63.011 63.200 0.121 0.000 0.833 210 S HN 0.803 nan 8.310 nan 0.000 0.466 211 F N 2.092 122.080 119.950 0.063 0.000 2.134 211 F HA -0.093 4.435 4.527 0.001 0.000 0.299 211 F C 2.193 178.010 175.800 0.029 0.000 1.097 211 F CA 1.792 59.808 58.000 0.026 0.000 1.264 211 F CB -0.352 38.642 39.000 -0.010 0.000 1.001 211 F HN 0.242 nan 8.300 nan 0.000 0.479 212 Q N 0.570 120.486 119.800 0.193 0.000 2.167 212 Q HA -0.027 4.313 4.340 0.001 0.000 0.202 212 Q C 2.377 178.379 176.000 0.002 0.000 0.970 212 Q CA 1.456 57.303 55.803 0.074 0.000 0.855 212 Q CB -0.741 28.064 28.738 0.112 0.000 0.911 212 Q HN 0.489 nan 8.270 nan 0.000 0.438 213 A N 0.488 123.339 122.820 0.051 0.000 1.933 213 A HA -0.158 4.163 4.320 0.001 0.000 0.218 213 A C 2.003 179.637 177.584 0.083 0.000 1.175 213 A CA 1.275 53.355 52.037 0.072 0.000 0.628 213 A CB -0.627 18.415 19.000 0.070 0.000 0.814 213 A HN 0.366 nan 8.150 nan 0.000 0.444 214 L N -0.505 120.742 121.223 0.041 0.000 2.056 214 L HA -0.157 4.183 4.340 0.001 0.000 0.207 214 L C 2.406 179.160 176.870 -0.194 0.000 1.078 214 L CA 2.031 56.809 54.840 -0.102 0.000 0.749 214 L CB -0.597 41.276 42.059 -0.309 0.000 0.901 214 L HN 0.350 nan 8.230 nan 0.000 0.433 215 Q N -0.318 119.297 119.800 -0.308 0.000 2.135 215 Q HA -0.247 4.094 4.340 0.001 0.000 0.204 215 Q C 2.370 178.305 176.000 -0.108 0.000 0.981 215 Q CA 1.710 57.358 55.803 -0.259 0.000 0.856 215 Q CB -0.591 27.971 28.738 -0.292 0.000 0.902 215 Q HN 0.559 nan 8.270 nan 0.000 0.425 216 R N 0.161 120.628 120.500 -0.054 0.000 2.062 216 R HA -0.066 4.274 4.340 0.001 0.000 0.229 216 R C 2.462 178.784 176.300 0.036 0.000 1.128 216 R CA 1.370 57.471 56.100 0.002 0.000 0.960 216 R CB -0.222 30.092 30.300 0.023 0.000 0.855 216 R HN 0.200 nan 8.270 nan 0.000 0.432 217 S N -0.342 115.391 115.700 0.055 0.000 2.387 217 S HA -0.161 4.309 4.470 0.001 0.000 0.230 217 S C 1.620 176.279 174.600 0.098 0.000 1.035 217 S CA 1.476 59.742 58.200 0.109 0.000 1.014 217 S CB -0.241 63.032 63.200 0.122 0.000 0.836 217 S HN 0.609 nan 8.310 nan 0.000 0.466 218 c N 1.847 120.454 118.600 0.012 0.000 2.673 218 c HA 0.344 4.914 4.570 0.001 0.000 0.274 218 c C 0.936 175.028 174.090 0.003 0.000 1.276 218 c CA -0.709 55.616 56.329 -0.006 0.000 1.701 218 c CB -1.965 40.485 42.510 -0.100 0.000 1.836 218 c HN 0.662 nan 8.230 nan 0.000 0.596 219 Q N 0.638 120.449 119.800 0.017 0.000 2.263 219 Q HA 0.320 4.661 4.340 0.001 0.000 0.289 219 Q C 1.311 177.330 176.000 0.033 0.000 1.061 219 Q CA 1.365 57.178 55.803 0.015 0.000 0.927 219 Q CB 0.159 28.911 28.738 0.022 0.000 1.154 219 Q HN 0.656 nan 8.270 nan 0.000 0.378 220 G N 3.515 112.328 108.800 0.021 0.000 2.162 220 G HA2 -0.346 3.614 3.960 0.001 0.000 0.260 220 G HA3 -0.346 3.614 3.960 0.001 0.000 0.260 220 G C 0.011 174.934 174.900 0.039 0.000 0.976 220 G CA 0.519 45.636 45.100 0.029 0.000 0.655 220 G HN 0.645 nan 8.290 nan 0.000 0.533 221 R N 0.830 121.352 120.500 0.036 0.000 2.514 221 R HA 0.515 4.855 4.340 0.001 0.000 0.301 221 R C 0.212 176.522 176.300 0.016 0.000 0.962 221 R CA -0.724 55.408 56.100 0.052 0.000 0.882 221 R CB 0.812 31.164 30.300 0.086 0.000 1.143 221 R HN 0.364 nan 8.270 nan 0.000 0.452 222 E N 2.466 122.684 120.200 0.029 0.000 2.442 222 E HA -0.049 4.301 4.350 0.001 0.000 0.262 222 E C -0.566 176.022 176.600 -0.019 0.000 1.004 222 E CA 0.123 56.535 56.400 0.020 0.000 0.928 222 E CB 0.487 30.220 29.700 0.054 0.000 0.937 222 E HN 0.478 nan 8.360 nan 0.000 0.446 223 D N 1.080 121.446 120.400 -0.057 0.000 2.419 223 D HA -0.055 4.585 4.640 0.001 0.000 0.236 223 D C 0.376 176.619 176.300 -0.095 0.000 1.165 223 D CA 0.450 54.311 54.000 -0.232 0.000 0.882 223 D CB 0.178 40.783 40.800 -0.323 0.000 1.201 223 D HN 0.454 nan 8.370 nan 0.000 0.443 224 F N -2.110 117.780 119.950 -0.101 0.000 2.656 224 F HA -0.275 4.252 4.527 0.001 0.000 0.381 224 F C 0.817 176.647 175.800 0.050 0.000 0.603 224 F CA 0.667 58.629 58.000 -0.063 0.000 1.335 224 F CB -1.511 37.454 39.000 -0.058 0.000 1.836 224 F HN 0.192 nan 8.300 nan 0.000 0.290 225 K N 1.270 121.713 120.400 0.072 0.000 2.143 225 K HA 0.618 4.938 4.320 0.001 0.000 0.272 225 K C 0.367 176.960 176.600 -0.012 0.000 1.001 225 K CA -0.423 55.903 56.287 0.064 0.000 0.915 225 K CB 2.024 34.555 32.500 0.053 0.000 1.047 225 K HN 0.058 nan 8.250 nan 0.000 0.458 226 V N -0.530 119.361 119.914 -0.038 0.000 2.963 226 V HA 0.241 4.361 4.120 0.001 0.000 0.306 226 V C 0.258 176.212 176.094 -0.234 0.000 1.077 226 V CA -0.050 62.157 62.300 -0.154 0.000 1.124 226 V CB 1.405 33.036 31.823 -0.319 0.000 0.987 226 V HN 0.780 nan 8.190 nan 0.000 0.487 227 S N 2.532 118.053 115.700 -0.298 0.000 3.132 227 S HA 0.756 5.226 4.470 0.001 0.000 0.322 227 S C -0.826 173.624 174.600 -0.250 0.000 1.124 227 S CA -0.892 57.021 58.200 -0.479 0.000 0.906 227 S CB 1.335 64.352 63.200 -0.305 0.000 1.349 227 S HN 0.774 nan 8.310 nan 0.000 0.686 228 I N 1.477 121.970 120.570 -0.127 0.000 2.436 228 I HA 0.374 4.545 4.170 0.001 0.000 0.289 228 I C 0.897 177.141 176.117 0.212 0.000 1.010 228 I CA -0.393 60.996 61.300 0.147 0.000 1.098 228 I CB 1.880 40.001 38.000 0.201 0.000 1.266 228 I HN 0.847 nan 8.210 nan 0.000 0.434 229 H N 3.618 122.779 119.070 0.152 0.000 2.363 229 H HA -0.046 4.510 4.556 0.001 0.000 0.301 229 H C 0.209 175.630 175.328 0.154 0.000 1.074 229 H CA 0.812 56.941 56.048 0.135 0.000 1.354 229 H CB 0.635 30.504 29.762 0.178 0.000 1.397 229 H HN 0.510 nan 8.280 nan 0.000 0.516 230 D N -0.743 119.821 120.400 0.272 0.000 2.404 230 D HA 0.130 4.770 4.640 0.001 0.000 0.267 230 D C -2.120 174.304 176.300 0.206 0.000 1.194 230 D CA -2.285 51.843 54.000 0.214 0.000 0.910 230 D CB 1.332 42.270 40.800 0.230 0.000 1.090 230 D HN 0.117 nan 8.370 nan 0.000 0.511 231 P HA -0.061 nan 4.420 nan 0.000 0.220 231 P C 1.284 178.669 177.300 0.142 0.000 1.148 231 P CA 0.405 63.590 63.100 0.142 0.000 0.803 231 P CB 0.095 31.914 31.700 0.197 0.000 0.782 232 F N 1.339 121.347 119.950 0.096 0.000 2.051 232 F HA -0.143 4.385 4.527 0.001 0.000 0.296 232 F C 2.271 178.128 175.800 0.096 0.000 1.122 232 F CA 1.656 59.719 58.000 0.105 0.000 1.201 232 F CB -1.093 37.990 39.000 0.137 0.000 0.978 232 F HN -0.122 nan 8.300 nan 0.000 0.472 233 A N 0.198 123.053 122.820 0.058 0.000 1.948 233 A HA -0.107 4.213 4.320 0.001 0.000 0.220 233 A C 2.333 179.860 177.584 -0.096 0.000 1.177 233 A CA 2.089 54.083 52.037 -0.071 0.000 0.636 233 A CB -1.552 17.506 19.000 0.098 0.000 0.815 233 A HN 0.546 nan 8.150 nan 0.000 0.449 234 A N -1.662 121.099 122.820 -0.098 0.000 1.975 234 A HA 0.371 4.691 4.320 0.001 0.000 0.215 234 A C 1.856 179.209 177.584 -0.384 0.000 1.170 234 A CA 1.310 53.170 52.037 -0.295 0.000 0.656 234 A CB -0.125 18.474 19.000 -0.669 0.000 0.821 234 A HN 0.447 nan 8.150 nan 0.000 0.449 235 L N -2.853 118.213 121.223 -0.262 0.000 3.076 235 L HA 0.192 4.532 4.340 0.001 0.000 0.271 235 L C 1.890 178.718 176.870 -0.070 0.000 1.152 235 L CA 0.304 55.059 54.840 -0.143 0.000 0.996 235 L CB 0.466 42.481 42.059 -0.073 0.000 1.453 235 L HN 0.287 nan 8.230 nan 0.000 0.571 236 Q N -0.681 119.006 119.800 -0.187 0.000 2.254 236 Q HA 0.128 4.468 4.340 0.001 0.000 0.259 236 Q C 0.396 176.151 176.000 -0.409 0.000 0.815 236 Q CA -0.145 55.556 55.803 -0.170 0.000 0.961 236 Q CB 1.296 30.073 28.738 0.064 0.000 1.140 236 Q HN 0.058 nan 8.270 nan 0.000 0.502 237 K N 1.881 121.761 120.400 -0.866 0.000 2.447 237 K HA 0.243 4.564 4.320 0.001 0.000 0.281 237 K C -0.508 175.937 176.600 -0.259 0.000 1.031 237 K CA -0.175 55.651 56.287 -0.768 0.000 1.019 237 K CB 0.551 32.591 32.500 -0.768 0.000 0.918 237 K HN 0.096 nan 8.250 nan 0.000 0.476 238 A N 4.760 127.525 122.820 -0.092 0.000 2.546 238 A HA 0.054 4.375 4.320 0.001 0.000 0.243 238 A C -0.439 177.111 177.584 -0.055 0.000 1.063 238 A CA 0.215 52.231 52.037 -0.035 0.000 0.757 238 A CB 0.338 19.354 19.000 0.027 0.000 0.991 238 A HN 0.726 nan 8.150 nan 0.000 0.503 239 Q N 0.638 120.402 119.800 -0.060 0.000 2.511 239 Q HA 0.300 4.641 4.340 0.001 0.000 0.289 239 Q C -0.888 175.073 176.000 -0.065 0.000 1.021 239 Q CA -0.956 54.806 55.803 -0.069 0.000 0.785 239 Q CB 1.502 30.184 28.738 -0.092 0.000 1.472 239 Q HN 0.808 nan 8.270 nan 0.000 0.411 240 K N 0.089 120.446 120.400 -0.071 0.000 2.466 240 K HA 0.115 4.436 4.320 0.001 0.000 0.278 240 K C 0.842 177.395 176.600 -0.078 0.000 1.048 240 K CA 1.693 57.938 56.287 -0.069 0.000 1.088 240 K CB -0.338 32.115 32.500 -0.078 0.000 0.884 240 K HN 0.827 nan 8.250 nan 0.000 0.478 241 G N 1.897 110.656 108.800 -0.068 0.000 2.234 241 G HA2 -0.273 3.687 3.960 0.001 0.000 0.235 241 G HA3 -0.273 3.687 3.960 0.001 0.000 0.235 241 G C 0.062 174.919 174.900 -0.072 0.000 0.997 241 G CA 0.122 45.176 45.100 -0.076 0.000 0.623 241 G HN 0.926 nan 8.290 nan 0.000 0.514 242 V N -1.177 118.700 119.914 -0.062 0.000 2.575 242 V HA 0.697 4.818 4.120 0.001 0.000 0.281 242 V C 0.868 176.941 176.094 -0.035 0.000 1.087 242 V CA 0.865 63.136 62.300 -0.049 0.000 1.193 242 V CB -0.215 31.581 31.823 -0.044 0.000 1.426 242 V HN 0.843 nan 8.190 nan 0.000 0.623 243 T N -2.303 112.235 114.554 -0.027 0.000 3.023 243 T HA 0.534 4.884 4.350 0.001 0.000 0.253 243 T C 0.873 175.584 174.700 0.018 0.000 1.038 243 T CA 0.643 62.742 62.100 -0.001 0.000 0.962 243 T CB 0.578 69.448 68.868 0.002 0.000 1.018 243 T HN 1.093 nan 8.240 nan 0.000 0.521 244 A N 2.580 125.390 122.820 -0.017 0.000 2.401 244 A HA 0.460 4.780 4.320 0.001 0.000 0.259 244 A C 1.278 178.837 177.584 -0.043 0.000 1.103 244 A CA -0.690 51.327 52.037 -0.033 0.000 0.789 244 A CB -0.043 18.886 19.000 -0.118 0.000 1.035 244 A HN 0.639 nan 8.150 nan 0.000 0.491 245 W N 2.705 123.994 121.300 -0.019 0.000 2.350 245 W HA -0.175 4.485 4.660 0.001 0.000 0.289 245 W C 0.049 176.548 176.519 -0.032 0.000 1.215 245 W CA 1.528 58.863 57.345 -0.016 0.000 1.236 245 W CB -0.511 28.942 29.460 -0.012 0.000 1.130 245 W HN 0.752 nan 8.180 nan 0.000 0.541 246 D N 0.265 120.059 120.400 -1.010 0.000 2.328 246 D HA -0.043 4.598 4.640 0.001 0.000 0.221 246 D C -0.314 175.681 176.300 -0.507 0.000 1.072 246 D CA -0.052 53.339 54.000 -1.016 0.000 0.850 246 D CB -0.946 38.925 40.800 -1.548 0.000 0.922 246 D HN -0.149 nan 8.370 nan 0.000 0.516 247 D N 2.175 122.382 120.400 -0.322 0.000 2.451 247 D HA 0.013 4.654 4.640 0.001 0.000 0.254 247 D C -1.329 174.838 176.300 -0.221 0.000 1.204 247 D CA -1.174 52.703 54.000 -0.205 0.000 0.896 247 D CB 1.499 42.235 40.800 -0.107 0.000 1.136 247 D HN 0.063 nan 8.370 nan 0.000 0.499 248 P HA -0.101 nan 4.420 nan 0.000 0.218 248 P C -0.518 176.488 177.300 -0.490 0.000 1.149 248 P CA 1.129 63.901 63.100 -0.546 0.000 0.817 248 P CB 0.210 31.361 31.700 -0.916 0.000 0.785 249 Y N -0.915 119.427 120.300 0.069 0.000 2.350 249 Y HA 0.463 5.013 4.550 0.001 0.000 0.338 249 Y C 0.827 176.741 175.900 0.022 0.000 0.961 249 Y CA -1.152 57.000 58.100 0.087 0.000 1.100 249 Y CB 1.497 40.053 38.460 0.160 0.000 1.179 249 Y HN -0.256 nan 8.280 nan 0.000 0.454 250 K N 0.717 121.186 120.400 0.116 0.000 2.082 250 K HA 0.814 5.135 4.320 0.001 0.000 0.246 250 K C 0.429 176.999 176.600 -0.049 0.000 1.061 250 K CA -0.755 55.536 56.287 0.007 0.000 0.952 250 K CB 0.916 33.398 32.500 -0.029 0.000 1.513 250 K HN 0.747 nan 8.250 nan 0.000 0.631 251 G N 1.045 109.774 108.800 -0.118 0.000 2.578 251 G HA2 -0.319 3.641 3.960 0.001 0.000 0.275 251 G HA3 -0.319 3.641 3.960 0.001 0.000 0.275 251 G C 0.324 175.171 174.900 -0.088 0.000 1.271 251 G CA 0.512 45.522 45.100 -0.150 0.000 0.941 251 G HN 0.613 nan 8.290 nan 0.000 0.564 252 N N -0.507 118.184 118.700 -0.014 0.000 2.120 252 N HA -0.056 4.685 4.740 0.001 0.000 0.188 252 N C 2.066 177.552 175.510 -0.040 0.000 1.024 252 N CA 1.933 55.023 53.050 0.068 0.000 0.852 252 N CB -0.376 38.364 38.487 0.422 0.000 1.003 252 N HN 0.399 nan 8.380 nan 0.000 0.424 253 F N 1.044 120.769 119.950 -0.374 0.000 2.163 253 F HA 0.104 4.632 4.527 0.001 0.000 0.297 253 F C 2.556 177.949 175.800 -0.679 0.000 1.094 253 F CA 0.568 58.168 58.000 -0.666 0.000 1.290 253 F CB -1.238 37.424 39.000 -0.562 0.000 1.017 253 F HN 0.048 nan 8.300 nan 0.000 0.483 254 G N -0.755 107.963 108.800 -0.137 0.000 2.418 254 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 254 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 254 G C 1.569 176.336 174.900 -0.222 0.000 1.158 254 G CA 0.457 45.504 45.100 -0.088 0.000 0.771 254 G HN 0.335 nan 8.290 nan 0.000 0.545 255 Q N -0.295 119.363 119.800 -0.237 0.000 2.119 255 Q HA 0.073 4.413 4.340 0.001 0.000 0.201 255 Q C 2.678 178.465 176.000 -0.354 0.000 0.972 255 Q CA 0.666 56.315 55.803 -0.256 0.000 0.847 255 Q CB -0.206 28.397 28.738 -0.225 0.000 0.903 255 Q HN 0.444 nan 8.270 nan 0.000 0.433 256 L N -0.042 120.868 121.223 -0.522 0.000 2.083 256 L HA -0.197 4.143 4.340 0.001 0.000 0.209 256 L C 2.442 178.907 176.870 -0.675 0.000 1.083 256 L CA 0.987 55.442 54.840 -0.642 0.000 0.752 256 L CB -0.324 41.207 42.059 -0.880 0.000 0.899 256 L HN 0.296 nan 8.230 nan 0.000 0.433 257 M N -0.657 118.451 119.600 -0.820 0.000 2.080 257 M HA -0.226 4.255 4.480 0.001 0.000 0.260 257 M C 2.475 178.608 176.300 -0.277 0.000 1.068 257 M CA 2.103 57.104 55.300 -0.499 0.000 1.109 257 M CB -0.489 31.901 32.600 -0.351 0.000 1.342 257 M HN 0.330 nan 8.290 nan 0.000 0.405 258 A N -0.224 122.437 122.820 -0.266 0.000 1.929 258 A HA -0.089 4.232 4.320 0.001 0.000 0.216 258 A C 2.056 179.545 177.584 -0.159 0.000 1.176 258 A CA 0.990 52.906 52.037 -0.202 0.000 0.628 258 A CB -0.703 18.184 19.000 -0.189 0.000 0.816 258 A HN 0.406 nan 8.150 nan 0.000 0.444 259 L N -0.264 120.860 121.223 -0.164 0.000 2.042 259 L HA -0.167 4.174 4.340 0.001 0.000 0.210 259 L C 2.291 179.145 176.870 -0.026 0.000 1.076 259 L CA 2.433 57.227 54.840 -0.076 0.000 0.749 259 L CB -0.377 41.612 42.059 -0.117 0.000 0.893 259 L HN 0.290 nan 8.230 nan 0.000 0.432 260 K N -0.781 119.570 120.400 -0.082 0.000 2.057 260 K HA -0.166 4.155 4.320 0.001 0.000 0.207 260 K C 2.110 178.682 176.600 -0.048 0.000 1.049 260 K CA 1.400 57.664 56.287 -0.037 0.000 0.931 260 K CB -0.219 32.265 32.500 -0.028 0.000 0.714 260 K HN 0.368 nan 8.250 nan 0.000 0.440 261 Q N -0.502 119.245 119.800 -0.088 0.000 2.124 261 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 261 Q C 2.072 177.994 176.000 -0.130 0.000 0.977 261 Q CA 1.565 57.307 55.803 -0.101 0.000 0.850 261 Q CB -0.345 28.320 28.738 -0.121 0.000 0.901 261 Q HN 0.397 nan 8.270 nan 0.000 0.429 262 A N 0.578 123.299 122.820 -0.165 0.000 1.968 262 A HA -0.104 4.216 4.320 0.001 0.000 0.217 262 A C 0.722 178.003 177.584 -0.505 0.000 1.169 262 A CA 0.902 52.745 52.037 -0.324 0.000 0.638 262 A CB -0.096 18.696 19.000 -0.347 0.000 0.812 262 A HN 0.297 nan 8.150 nan 0.000 0.446 263 H N -1.126 117.907 119.070 -0.061 0.000 2.448 263 H HA 0.200 4.757 4.556 0.001 0.000 0.237 263 H C -2.162 173.138 175.328 -0.047 0.000 1.391 263 H CA -1.450 54.569 56.048 -0.048 0.000 1.477 263 H CB 0.744 30.478 29.762 -0.047 0.000 1.520 263 H HN 0.315 nan 8.280 nan 0.000 0.502 264 P HA -0.094 nan 4.420 nan 0.000 0.225 264 P C 0.656 177.958 177.300 0.003 0.000 1.148 264 P CA 1.011 64.111 63.100 -0.000 0.000 0.779 264 P CB 0.596 32.283 31.700 -0.022 0.000 0.780 265 D N -1.046 119.365 120.400 0.019 0.000 2.369 265 D HA 0.064 4.704 4.640 0.001 0.000 0.211 265 D C 0.786 177.074 176.300 -0.020 0.000 1.077 265 D CA -0.246 53.754 54.000 -0.000 0.000 0.842 265 D CB 0.028 40.836 40.800 0.012 0.000 0.947 265 D HN 0.131 nan 8.370 nan 0.000 0.509 266 L N 2.020 123.241 121.223 -0.003 0.000 2.499 266 L HA 0.024 4.365 4.340 0.001 0.000 0.273 266 L C 0.039 176.858 176.870 -0.085 0.000 1.195 266 L CA 0.169 54.978 54.840 -0.052 0.000 0.882 266 L CB 0.371 42.407 42.059 -0.038 0.000 1.133 266 L HN -0.340 nan 8.230 nan 0.000 0.483 267 K N 7.227 127.518 120.400 -0.182 0.000 2.248 267 K HA 0.425 4.746 4.320 0.001 0.000 0.281 267 K C -0.692 175.883 176.600 -0.042 0.000 1.054 267 K CA -0.034 56.155 56.287 -0.163 0.000 0.903 267 K CB 0.881 33.143 32.500 -0.397 0.000 1.077 267 K HN 0.571 nan 8.250 nan 0.000 0.474 268 I N 4.841 125.449 120.570 0.062 0.000 2.355 268 I HA 0.312 4.482 4.170 0.001 0.000 0.288 268 I C -0.244 176.070 176.117 0.327 0.000 0.999 268 I CA -0.692 60.706 61.300 0.163 0.000 1.163 268 I CB 0.877 38.962 38.000 0.141 0.000 1.316 268 I HN 0.218 nan 8.210 nan 0.000 0.454 269 L N 8.274 129.682 121.223 0.308 0.000 2.341 269 L HA 0.527 4.868 4.340 0.001 0.000 0.278 269 L C -2.422 174.542 176.870 0.156 0.000 1.005 269 L CA -1.993 52.997 54.840 0.249 0.000 0.818 269 L CB 2.189 44.384 42.059 0.227 0.000 1.259 269 L HN 0.282 nan 8.230 nan 0.000 0.418 270 P HA 0.058 nan 4.420 nan 0.000 0.282 270 P C -0.626 176.707 177.300 0.054 0.000 1.262 270 P CA -0.215 62.677 63.100 -0.347 0.000 0.773 270 P CB 1.515 32.647 31.700 -0.947 0.000 0.879 271 S N 3.855 119.722 115.700 0.279 0.000 2.422 271 S HA 0.440 4.910 4.470 0.001 0.000 0.298 271 S C -0.025 174.906 174.600 0.551 0.000 1.118 271 S CA -0.753 57.725 58.200 0.464 0.000 1.083 271 S CB -0.521 63.092 63.200 0.687 0.000 0.971 271 S HN 0.228 nan 8.310 nan 0.000 0.478 272 I N 5.483 126.321 120.570 0.446 0.000 2.304 272 I HA 0.573 4.743 4.170 0.001 0.000 0.291 272 I C 1.072 177.447 176.117 0.429 0.000 1.018 272 I CA -0.016 61.515 61.300 0.385 0.000 1.260 272 I CB 0.745 38.967 38.000 0.371 0.000 1.390 272 I HN 0.948 nan 8.210 nan 0.000 0.475 273 G N 4.332 113.257 108.800 0.208 0.000 2.637 273 G HA2 0.308 4.269 3.960 0.001 0.000 0.211 273 G HA3 0.308 4.269 3.960 0.001 0.000 0.211 273 G C 0.024 174.588 174.900 -0.561 0.000 1.213 273 G CA 0.023 45.155 45.100 0.053 0.000 1.207 273 G HN 1.454 nan 8.290 nan 0.000 0.559 274 G N -1.952 106.472 108.800 -0.627 0.000 2.712 274 G HA2 0.037 3.998 3.960 0.001 0.000 0.683 274 G HA3 0.037 3.998 3.960 0.001 0.000 0.683 274 G C 0.824 175.469 174.900 -0.425 0.000 1.320 274 G CA 0.498 44.978 45.100 -1.033 0.000 0.847 274 G HN 1.917 nan 8.290 nan 0.000 0.553 275 W N 0.096 121.126 121.300 -0.449 0.000 2.321 275 W HA -0.214 4.446 4.660 0.001 0.000 0.306 275 W C 2.389 178.787 176.519 -0.201 0.000 1.217 275 W CA 3.349 60.523 57.345 -0.284 0.000 1.257 275 W CB -0.361 28.973 29.460 -0.210 0.000 1.145 275 W HN 1.038 nan 8.180 nan 0.000 0.509 276 T N -2.278 112.183 114.554 -0.156 0.000 3.040 276 T HA 0.143 4.493 4.350 0.001 0.000 0.250 276 T C 1.351 175.945 174.700 -0.176 0.000 1.058 276 T CA 0.118 62.116 62.100 -0.170 0.000 0.988 276 T CB -0.381 68.469 68.868 -0.031 0.000 0.993 276 T HN 0.116 nan 8.240 nan 0.000 0.519 277 L N 0.796 121.888 121.223 -0.217 0.000 3.014 277 L HA 0.418 4.759 4.340 0.001 0.000 0.263 277 L C 1.720 178.452 176.870 -0.231 0.000 1.207 277 L CA -0.167 54.542 54.840 -0.218 0.000 1.017 277 L CB 0.427 42.364 42.059 -0.203 0.000 1.360 277 L HN 0.150 nan 8.230 nan 0.000 0.560 278 S N -0.436 115.167 115.700 -0.162 0.000 2.501 278 S HA -0.071 4.400 4.470 0.001 0.000 0.220 278 S C 1.198 175.786 174.600 -0.020 0.000 0.997 278 S CA 0.354 58.542 58.200 -0.020 0.000 0.919 278 S CB 0.044 63.275 63.200 0.052 0.000 0.778 278 S HN 0.404 nan 8.310 nan 0.000 0.523 279 D N 2.131 122.556 120.400 0.041 0.000 2.133 279 D HA -0.083 4.557 4.640 0.001 0.000 0.195 279 D C -0.901 175.570 176.300 0.285 0.000 0.997 279 D CA 1.243 55.410 54.000 0.278 0.000 0.840 279 D CB -1.543 39.352 40.800 0.159 0.000 0.947 279 D HN 0.335 nan 8.370 nan 0.000 0.452 280 P HA -0.076 nan 4.420 nan 0.000 0.222 280 P C 1.094 178.349 177.300 -0.074 0.000 1.147 280 P CA 0.667 63.790 63.100 0.038 0.000 0.790 280 P CB -0.095 31.369 31.700 -0.393 0.000 0.780 281 F N -1.979 117.635 119.950 -0.560 0.000 2.216 281 F HA -0.104 4.423 4.527 0.001 0.000 0.300 281 F C 1.790 176.930 175.800 -1.099 0.000 1.085 281 F CA 1.144 58.401 58.000 -1.238 0.000 1.326 281 F CB -1.399 36.130 39.000 -2.451 0.000 1.027 281 F HN -0.118 nan 8.300 nan 0.000 0.497 282 F N -1.675 118.076 119.950 -0.331 0.000 2.546 282 F HA -0.112 4.416 4.527 0.001 0.000 0.298 282 F C 1.611 177.135 175.800 -0.460 0.000 1.120 282 F CA 0.825 58.680 58.000 -0.242 0.000 1.456 282 F CB -1.041 37.806 39.000 -0.255 0.000 1.088 282 F HN -0.089 nan 8.300 nan 0.000 0.572 283 F N -1.619 118.349 119.950 0.030 0.000 2.727 283 F HA 0.125 4.652 4.527 0.001 0.000 0.302 283 F C 1.864 177.524 175.800 -0.234 0.000 1.097 283 F CA 0.217 58.164 58.000 -0.089 0.000 1.330 283 F CB -0.616 38.297 39.000 -0.145 0.000 1.084 283 F HN -0.108 nan 8.300 nan 0.000 0.578 284 M N -0.083 119.448 119.600 -0.114 0.000 2.659 284 M HA 0.061 4.542 4.480 0.001 0.000 0.243 284 M C 2.266 178.532 176.300 -0.056 0.000 1.111 284 M CA 0.518 55.732 55.300 -0.143 0.000 1.070 284 M CB -0.541 31.946 32.600 -0.189 0.000 1.525 284 M HN 0.274 nan 8.290 nan 0.000 0.517 285 G N 0.232 109.024 108.800 -0.015 0.000 2.479 285 G HA2 -0.194 3.766 3.960 0.001 0.000 0.220 285 G HA3 -0.194 3.766 3.960 0.001 0.000 0.220 285 G C 0.423 175.316 174.900 -0.010 0.000 1.115 285 G CA 0.397 45.506 45.100 0.014 0.000 0.757 285 G HN 0.366 nan 8.290 nan 0.000 0.560 286 D N 0.082 120.456 120.400 -0.043 0.000 2.344 286 D HA 0.114 4.754 4.640 0.001 0.000 0.253 286 D C 1.443 177.704 176.300 -0.064 0.000 1.255 286 D CA -0.206 53.760 54.000 -0.057 0.000 0.894 286 D CB 0.811 41.556 40.800 -0.092 0.000 1.067 286 D HN 0.177 nan 8.370 nan 0.000 0.492 287 K N 2.616 122.999 120.400 -0.029 0.000 2.211 287 K HA -0.108 4.212 4.320 0.001 0.000 0.204 287 K C 1.608 178.196 176.600 -0.020 0.000 1.047 287 K CA 0.728 57.006 56.287 -0.015 0.000 0.935 287 K CB 0.222 32.722 32.500 -0.000 0.000 0.728 287 K HN 0.316 nan 8.250 nan 0.000 0.452 288 V N 1.528 121.422 119.914 -0.034 0.000 2.287 288 V HA -0.299 3.821 4.120 0.001 0.000 0.248 288 V C 2.063 178.130 176.094 -0.045 0.000 1.053 288 V CA 2.007 64.289 62.300 -0.030 0.000 1.027 288 V CB -0.359 31.445 31.823 -0.032 0.000 0.646 288 V HN 0.373 nan 8.190 nan 0.000 0.447 289 K N -0.419 119.905 120.400 -0.127 0.000 2.062 289 K HA -0.133 4.187 4.320 0.001 0.000 0.205 289 K C 2.398 178.964 176.600 -0.056 0.000 1.051 289 K CA 1.176 57.336 56.287 -0.212 0.000 0.941 289 K CB -0.223 31.875 32.500 -0.670 0.000 0.719 289 K HN 0.279 nan 8.250 nan 0.000 0.440 290 R N 1.281 121.757 120.500 -0.041 0.000 2.081 290 R HA -0.155 4.186 4.340 0.001 0.000 0.235 290 R C 1.459 177.835 176.300 0.127 0.000 1.131 290 R CA 1.862 58.002 56.100 0.068 0.000 0.960 290 R CB -0.026 30.297 30.300 0.038 0.000 0.856 290 R HN 0.117 nan 8.270 nan 0.000 0.436 291 D N -0.217 120.221 120.400 0.063 0.000 2.117 291 D HA -0.185 4.456 4.640 0.001 0.000 0.197 291 D C 1.860 178.197 176.300 0.061 0.000 0.987 291 D CA 1.034 55.065 54.000 0.052 0.000 0.829 291 D CB -0.229 40.587 40.800 0.027 0.000 0.961 291 D HN 0.230 nan 8.370 nan 0.000 0.460 292 R N -0.431 120.115 120.500 0.077 0.000 2.091 292 R HA -0.170 4.171 4.340 0.001 0.000 0.238 292 R C 2.284 178.657 176.300 0.122 0.000 1.136 292 R CA 0.998 57.154 56.100 0.092 0.000 0.959 292 R CB -0.468 29.899 30.300 0.113 0.000 0.856 292 R HN 0.170 nan 8.270 nan 0.000 0.437 293 F N 0.832 120.801 119.950 0.031 0.000 2.075 293 F HA -0.200 4.328 4.527 0.001 0.000 0.297 293 F C 1.942 177.746 175.800 0.007 0.000 1.113 293 F CA 1.613 59.624 58.000 0.019 0.000 1.218 293 F CB -0.620 38.389 39.000 0.015 0.000 0.984 293 F HN -0.193 nan 8.300 nan 0.000 0.472 294 V N 0.788 120.619 119.914 -0.138 0.000 2.287 294 V HA -0.271 3.850 4.120 0.001 0.000 0.248 294 V C 2.802 178.778 176.094 -0.196 0.000 1.053 294 V CA 2.046 64.206 62.300 -0.234 0.000 1.027 294 V CB -1.785 30.018 31.823 -0.033 0.000 0.646 294 V HN 0.581 nan 8.190 nan 0.000 0.447 295 G N -0.027 108.717 108.800 -0.093 0.000 2.442 295 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 295 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 295 G C 1.874 176.734 174.900 -0.067 0.000 1.141 295 G CA 1.428 46.491 45.100 -0.062 0.000 0.763 295 G HN 0.655 nan 8.290 nan 0.000 0.554 296 S N 0.013 115.659 115.700 -0.091 0.000 2.402 296 S HA -0.043 4.428 4.470 0.001 0.000 0.229 296 S C 2.279 176.822 174.600 -0.095 0.000 1.021 296 S CA 1.315 59.484 58.200 -0.053 0.000 0.974 296 S CB -0.261 62.917 63.200 -0.037 0.000 0.800 296 S HN 0.096 nan 8.310 nan 0.000 0.484 297 V N 2.226 121.963 119.914 -0.294 0.000 2.358 297 V HA -0.117 4.004 4.120 0.001 0.000 0.246 297 V C 2.772 178.824 176.094 -0.070 0.000 1.047 297 V CA 2.070 64.212 62.300 -0.264 0.000 1.035 297 V CB -0.772 30.765 31.823 -0.478 0.000 0.658 297 V HN 0.559 nan 8.190 nan 0.000 0.452 298 K N 0.254 120.593 120.400 -0.102 0.000 2.009 298 K HA -0.284 4.037 4.320 0.001 0.000 0.210 298 K C 2.283 178.874 176.600 -0.015 0.000 1.049 298 K CA 2.211 58.451 56.287 -0.079 0.000 0.929 298 K CB -0.215 32.235 32.500 -0.083 0.000 0.714 298 K HN 0.592 nan 8.250 nan 0.000 0.440 299 E N -0.333 119.880 120.200 0.021 0.000 2.077 299 E HA -0.227 4.123 4.350 0.001 0.000 0.193 299 E C 1.931 178.599 176.600 0.113 0.000 0.989 299 E CA 1.144 57.575 56.400 0.052 0.000 0.800 299 E CB -0.233 29.509 29.700 0.070 0.000 0.746 299 E HN 0.373 nan 8.360 nan 0.000 0.452 300 F N 1.123 121.101 119.950 0.046 0.000 2.126 300 F HA -0.153 4.375 4.527 0.001 0.000 0.299 300 F C 1.942 177.834 175.800 0.154 0.000 1.096 300 F CA 1.362 59.465 58.000 0.172 0.000 1.255 300 F CB 0.005 39.096 39.000 0.153 0.000 0.997 300 F HN 0.016 nan 8.300 nan 0.000 0.479 301 L N -0.526 120.828 121.223 0.217 0.000 2.240 301 L HA -0.151 4.189 4.340 0.001 0.000 0.211 301 L C 2.317 179.189 176.870 0.004 0.000 1.106 301 L CA 0.902 55.810 54.840 0.113 0.000 0.793 301 L CB -0.650 41.424 42.059 0.026 0.000 0.927 301 L HN 0.174 nan 8.230 nan 0.000 0.446 302 Q N -0.732 119.044 119.800 -0.040 0.000 2.167 302 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 302 Q C 2.084 177.991 176.000 -0.154 0.000 0.970 302 Q CA 1.785 57.547 55.803 -0.069 0.000 0.855 302 Q CB -0.044 28.656 28.738 -0.063 0.000 0.911 302 Q HN 0.444 nan 8.270 nan 0.000 0.438 303 T N -0.673 113.719 114.554 -0.271 0.000 2.851 303 T HA -0.081 4.269 4.350 0.001 0.000 0.262 303 T C -0.185 174.052 174.700 -0.772 0.000 1.043 303 T CA 0.748 62.496 62.100 -0.586 0.000 1.140 303 T CB -0.032 68.360 68.868 -0.794 0.000 0.872 303 T HN 0.302 nan 8.240 nan 0.000 0.446 304 W N 2.190 123.348 121.300 -0.236 0.000 2.406 304 W HA 0.481 5.141 4.660 0.001 0.000 0.308 304 W C 0.823 177.133 176.519 -0.348 0.000 0.965 304 W CA -1.004 56.144 57.345 -0.328 0.000 1.589 304 W CB 0.501 29.624 29.460 -0.562 0.000 1.417 304 W HN -0.036 nan 8.180 nan 0.000 0.415 305 K N 1.138 121.535 120.400 -0.005 0.000 2.365 305 K HA -0.108 4.212 4.320 0.001 0.000 0.199 305 K C 1.564 178.164 176.600 0.001 0.000 1.045 305 K CA 0.980 57.279 56.287 0.021 0.000 0.962 305 K CB -0.101 32.430 32.500 0.051 0.000 0.759 305 K HN 0.558 nan 8.250 nan 0.000 0.469 306 F N -0.460 119.425 119.950 -0.108 0.000 2.502 306 F HA 0.122 4.650 4.527 0.001 0.000 0.298 306 F C 0.329 176.007 175.800 -0.203 0.000 1.111 306 F CA -0.335 57.539 58.000 -0.211 0.000 1.445 306 F CB -0.421 38.363 39.000 -0.360 0.000 1.081 306 F HN -0.292 nan 8.300 nan 0.000 0.558 307 F N 2.099 121.661 119.950 -0.646 0.000 2.399 307 F HA 0.216 4.743 4.527 0.001 0.000 0.342 307 F C 1.053 176.833 175.800 -0.033 0.000 1.106 307 F CA -0.871 56.914 58.000 -0.358 0.000 1.196 307 F CB 0.409 39.189 39.000 -0.366 0.000 1.163 307 F HN -0.019 nan 8.300 nan 0.000 0.547 308 D N 1.489 122.044 120.400 0.258 0.000 2.424 308 D HA 0.342 4.983 4.640 0.001 0.000 0.220 308 D C 0.900 177.386 176.300 0.310 0.000 1.150 308 D CA 0.416 54.511 54.000 0.159 0.000 0.831 308 D CB 0.618 41.448 40.800 0.049 0.000 0.981 308 D HN 0.726 nan 8.370 nan 0.000 0.500 309 G N -0.378 108.657 108.800 0.391 0.000 2.373 309 G HA2 0.203 4.163 3.960 0.001 0.000 0.250 309 G HA3 0.203 4.163 3.960 0.001 0.000 0.250 309 G C -1.912 173.093 174.900 0.176 0.000 1.304 309 G CA -0.140 45.157 45.100 0.329 0.000 0.948 309 G HN 0.154 nan 8.290 nan 0.000 0.474 310 V N 0.254 120.260 119.914 0.152 0.000 2.932 310 V HA 0.690 4.811 4.120 0.001 0.000 0.307 310 V C -1.936 174.266 176.094 0.180 0.000 1.147 310 V CA -0.215 62.151 62.300 0.109 0.000 0.951 310 V CB 2.070 33.921 31.823 0.047 0.000 1.031 310 V HN 1.105 nan 8.190 nan 0.000 0.426 311 D N 5.513 126.041 120.400 0.214 0.000 2.344 311 D HA 0.459 5.099 4.640 0.001 0.000 0.239 311 D C -0.636 175.855 176.300 0.318 0.000 1.064 311 D CA -0.413 53.767 54.000 0.300 0.000 0.829 311 D CB 1.218 42.229 40.800 0.351 0.000 1.129 311 D HN 0.405 nan 8.370 nan 0.000 0.506 312 I N 3.725 124.466 120.570 0.285 0.000 2.291 312 I HA 0.166 4.336 4.170 0.001 0.000 0.290 312 I C -0.013 176.243 176.117 0.231 0.000 1.050 312 I CA -0.387 61.059 61.300 0.243 0.000 1.245 312 I CB 0.807 38.862 38.000 0.092 0.000 1.405 312 I HN 0.457 nan 8.210 nan 0.000 0.478 313 D N 7.625 128.188 120.400 0.272 0.000 2.540 313 D HA 0.061 4.702 4.640 0.001 0.000 0.251 313 D C -0.779 175.589 176.300 0.113 0.000 1.159 313 D CA -0.335 53.807 54.000 0.236 0.000 0.974 313 D CB 0.277 41.279 40.800 0.336 0.000 0.996 313 D HN 0.329 nan 8.370 nan 0.000 0.512 314 W N 3.675 124.793 121.300 -0.304 0.000 2.308 314 W HA 0.378 5.038 4.660 0.001 0.000 0.311 314 W C -0.860 175.462 176.519 -0.329 0.000 1.088 314 W CA -1.126 55.889 57.345 -0.550 0.000 1.309 314 W CB 0.305 29.171 29.460 -0.991 0.000 1.229 314 W HN 0.213 nan 8.180 nan 0.000 0.427 315 E N 6.697 126.865 120.200 -0.053 0.000 2.173 315 E HA 0.334 4.684 4.350 0.001 0.000 0.249 315 E C -1.381 174.858 176.600 -0.601 0.000 0.923 315 E CA -0.339 55.543 56.400 -0.863 0.000 0.754 315 E CB 0.747 29.821 29.700 -1.043 0.000 1.177 315 E HN 0.138 nan 8.360 nan 0.000 0.430 316 F N 1.237 121.300 119.950 0.189 0.000 2.631 316 F HA 0.357 4.884 4.527 0.001 0.000 0.308 316 F C -2.428 173.061 175.800 -0.517 0.000 1.097 316 F CA -2.944 54.933 58.000 -0.204 0.000 0.952 316 F CB 1.300 40.241 39.000 -0.099 0.000 1.307 316 F HN 0.129 nan 8.300 nan 0.000 0.450 317 P HA 0.213 nan 4.420 nan 0.000 0.263 317 P C 0.661 177.827 177.300 -0.223 0.000 1.195 317 P CA 1.331 63.856 63.100 -0.958 0.000 0.762 317 P CB 0.432 31.450 31.700 -1.137 0.000 0.799 318 G N 1.973 110.811 108.800 0.064 0.000 2.213 318 G HA2 0.068 4.029 3.960 0.001 0.000 0.226 318 G HA3 0.068 4.029 3.960 0.001 0.000 0.226 318 G C 0.533 175.525 174.900 0.154 0.000 0.992 318 G CA 0.088 45.239 45.100 0.084 0.000 0.632 318 G HN 1.010 nan 8.290 nan 0.000 0.511 319 G N 0.013 109.007 108.800 0.323 0.000 2.482 319 G HA2 0.238 4.198 3.960 0.001 0.000 0.214 319 G HA3 0.238 4.198 3.960 0.001 0.000 0.214 319 G C 0.468 175.512 174.900 0.240 0.000 1.271 319 G CA 0.694 45.901 45.100 0.179 0.000 0.944 319 G HN 1.468 nan 8.290 nan 0.000 0.568 320 K N -1.313 119.166 120.400 0.131 0.000 3.274 320 K HA -0.182 4.139 4.320 0.001 0.000 0.300 320 K C 1.252 178.063 176.600 0.351 0.000 1.230 320 K CA 1.546 57.949 56.287 0.192 0.000 0.884 320 K CB -1.739 30.850 32.500 0.148 0.000 1.242 320 K HN 1.636 nan 8.250 nan 0.000 0.467 321 G N 0.271 109.169 108.800 0.164 0.000 2.582 321 G HA2 0.456 4.416 3.960 0.001 0.000 0.232 321 G HA3 0.456 4.416 3.960 0.001 0.000 0.232 321 G C 1.188 175.690 174.900 -0.663 0.000 1.458 321 G CA 0.164 45.048 45.100 -0.361 0.000 1.062 321 G HN 0.179 nan 8.290 nan 0.000 0.566 322 A N -0.713 121.298 122.820 -1.348 0.000 1.933 322 A HA -0.026 4.295 4.320 0.001 0.000 0.218 322 A C 1.508 178.902 177.584 -0.318 0.000 1.175 322 A CA 1.159 52.676 52.037 -0.865 0.000 0.628 322 A CB -0.410 17.952 19.000 -1.064 0.000 0.814 322 A HN 0.450 nan 8.150 nan 0.000 0.444 323 N N 0.267 118.784 118.700 -0.305 0.000 2.437 323 N HA 0.205 4.946 4.740 0.001 0.000 0.243 323 N C -2.070 173.326 175.510 -0.190 0.000 1.041 323 N CA -1.893 51.033 53.050 -0.207 0.000 0.940 323 N CB 1.422 39.783 38.487 -0.210 0.000 1.133 323 N HN 0.095 nan 8.380 nan 0.000 0.506 324 P HA 0.008 nan 4.420 nan 0.000 0.230 324 P C 0.114 177.346 177.300 -0.114 0.000 1.158 324 P CA 0.727 63.775 63.100 -0.087 0.000 0.769 324 P CB 0.534 32.211 31.700 -0.039 0.000 0.807 325 N N -0.447 118.168 118.700 -0.141 0.000 2.270 325 N HA 0.153 4.893 4.740 0.001 0.000 0.198 325 N C 0.520 175.891 175.510 -0.232 0.000 1.117 325 N CA 0.259 53.223 53.050 -0.142 0.000 0.845 325 N CB 0.543 38.972 38.487 -0.095 0.000 0.980 325 N HN 0.282 nan 8.380 nan 0.000 0.486 326 L N -0.695 120.292 121.223 -0.393 0.000 2.303 326 L HA 0.747 5.088 4.340 0.001 0.000 0.266 326 L C 0.324 176.771 176.870 -0.705 0.000 1.011 326 L CA -0.881 53.546 54.840 -0.688 0.000 0.818 326 L CB 2.127 43.477 42.059 -1.181 0.000 1.326 326 L HN 0.012 nan 8.230 nan 0.000 0.435 327 G N 0.602 109.057 108.800 -0.574 0.000 2.957 327 G HA2 0.221 4.182 3.960 0.001 0.000 0.636 327 G HA3 0.221 4.182 3.960 0.001 0.000 0.636 327 G C -1.242 173.658 174.900 -0.001 0.000 1.401 327 G CA -0.170 44.871 45.100 -0.097 0.000 0.941 327 G HN 0.709 nan 8.290 nan 0.000 0.610 328 S N 3.322 119.087 115.700 0.107 0.000 2.564 328 S HA 0.875 5.345 4.470 0.001 0.000 0.274 328 S C -1.620 173.011 174.600 0.051 0.000 1.124 328 S CA -0.838 57.395 58.200 0.056 0.000 0.869 328 S CB 2.342 65.578 63.200 0.061 0.000 1.105 328 S HN 0.343 nan 8.310 nan 0.000 0.472 329 P HA -0.097 nan 4.420 nan 0.000 0.221 329 P C 1.103 178.407 177.300 0.006 0.000 1.145 329 P CA 0.941 64.042 63.100 0.002 0.000 0.795 329 P CB 0.063 31.760 31.700 -0.005 0.000 0.775 330 Q N -0.258 119.561 119.800 0.030 0.000 2.369 330 Q HA -0.133 4.207 4.340 0.001 0.000 0.206 330 Q C 1.208 177.248 176.000 0.067 0.000 0.963 330 Q CA 0.837 56.666 55.803 0.042 0.000 0.894 330 Q CB -0.228 28.542 28.738 0.053 0.000 0.965 330 Q HN 0.180 nan 8.270 nan 0.000 0.475 331 D N -0.371 120.076 120.400 0.079 0.000 2.149 331 D HA -0.145 4.496 4.640 0.001 0.000 0.198 331 D C 1.647 177.912 176.300 -0.058 0.000 0.990 331 D CA 1.362 55.419 54.000 0.094 0.000 0.839 331 D CB -0.483 40.336 40.800 0.032 0.000 0.948 331 D HN 0.456 nan 8.370 nan 0.000 0.460 332 G N 0.674 109.402 108.800 -0.121 0.000 2.440 332 G HA2 -0.316 3.644 3.960 0.001 0.000 0.218 332 G HA3 -0.316 3.644 3.960 0.001 0.000 0.218 332 G C 1.485 176.364 174.900 -0.036 0.000 1.154 332 G CA 0.896 45.899 45.100 -0.162 0.000 0.767 332 G HN 0.348 nan 8.290 nan 0.000 0.552 333 E N -0.291 119.912 120.200 0.005 0.000 2.072 333 E HA -0.107 4.243 4.350 0.001 0.000 0.191 333 E C 2.579 179.232 176.600 0.088 0.000 0.985 333 E CA 1.377 57.798 56.400 0.035 0.000 0.801 333 E CB -0.110 29.606 29.700 0.027 0.000 0.750 333 E HN 0.353 nan 8.360 nan 0.000 0.452 334 T N 0.155 114.792 114.554 0.138 0.000 2.684 334 T HA -0.218 4.132 4.350 0.001 0.000 0.267 334 T C 1.452 176.312 174.700 0.267 0.000 1.036 334 T CA 1.544 63.766 62.100 0.203 0.000 1.148 334 T CB -0.588 68.466 68.868 0.309 0.000 0.863 334 T HN 0.337 nan 8.240 nan 0.000 0.436 335 Y N 1.605 122.012 120.300 0.178 0.000 2.081 335 Y HA -0.215 4.336 4.550 0.001 0.000 0.280 335 Y C 2.372 178.297 175.900 0.040 0.000 1.163 335 Y CA 1.152 59.324 58.100 0.119 0.000 1.135 335 Y CB -0.605 37.746 38.460 -0.183 0.000 0.970 335 Y HN -0.028 nan 8.280 nan 0.000 0.498 336 V N 0.292 120.323 119.914 0.194 0.000 2.343 336 V HA -0.318 3.802 4.120 0.001 0.000 0.247 336 V C 2.400 178.513 176.094 0.032 0.000 1.051 336 V CA 1.980 64.337 62.300 0.096 0.000 1.036 336 V CB -0.701 31.163 31.823 0.069 0.000 0.654 336 V HN 0.444 nan 8.190 nan 0.000 0.451 337 L N -0.857 120.394 121.223 0.046 0.000 2.046 337 L HA -0.184 4.156 4.340 0.001 0.000 0.208 337 L C 2.440 179.325 176.870 0.024 0.000 1.077 337 L CA 1.221 56.081 54.840 0.035 0.000 0.747 337 L CB -0.597 41.489 42.059 0.045 0.000 0.896 337 L HN 0.343 nan 8.230 nan 0.000 0.432 338 L N -0.647 120.588 121.223 0.019 0.000 2.046 338 L HA -0.208 4.132 4.340 0.001 0.000 0.208 338 L C 2.485 179.343 176.870 -0.019 0.000 1.077 338 L CA 1.841 56.694 54.840 0.021 0.000 0.747 338 L CB -0.393 41.678 42.059 0.019 0.000 0.896 338 L HN 0.158 nan 8.230 nan 0.000 0.432 339 M N -0.486 119.048 119.600 -0.110 0.000 2.175 339 M HA -0.195 4.286 4.480 0.001 0.000 0.264 339 M C 2.249 178.536 176.300 -0.022 0.000 1.063 339 M CA 1.492 56.736 55.300 -0.093 0.000 1.119 339 M CB -1.234 31.285 32.600 -0.136 0.000 1.377 339 M HN 0.349 nan 8.290 nan 0.000 0.415 340 K N 0.742 121.137 120.400 -0.008 0.000 2.057 340 K HA -0.174 4.147 4.320 0.001 0.000 0.206 340 K C 1.723 178.329 176.600 0.010 0.000 1.050 340 K CA 1.514 57.805 56.287 0.007 0.000 0.935 340 K CB 0.071 32.578 32.500 0.012 0.000 0.715 340 K HN 0.370 nan 8.250 nan 0.000 0.439 341 E N 0.617 120.826 120.200 0.015 0.000 2.107 341 E HA -0.119 4.232 4.350 0.001 0.000 0.191 341 E C 2.115 178.721 176.600 0.010 0.000 0.982 341 E CA 0.849 57.260 56.400 0.017 0.000 0.809 341 E CB 0.012 29.730 29.700 0.031 0.000 0.756 341 E HN 0.248 nan 8.360 nan 0.000 0.459 342 L N 0.524 121.757 121.223 0.017 0.000 2.046 342 L HA -0.188 4.153 4.340 0.001 0.000 0.208 342 L C 2.644 179.513 176.870 -0.002 0.000 1.077 342 L CA 1.100 55.943 54.840 0.004 0.000 0.747 342 L CB -0.236 41.840 42.059 0.028 0.000 0.896 342 L HN 0.047 nan 8.230 nan 0.000 0.432 343 R N 0.530 121.034 120.500 0.007 0.000 2.096 343 R HA -0.137 4.204 4.340 0.001 0.000 0.235 343 R C 2.187 178.491 176.300 0.007 0.000 1.127 343 R CA 1.578 57.685 56.100 0.012 0.000 0.968 343 R CB -0.375 29.933 30.300 0.014 0.000 0.861 343 R HN 0.301 nan 8.270 nan 0.000 0.440 344 A N 0.702 123.523 122.820 0.002 0.000 1.968 344 A HA -0.094 4.227 4.320 0.001 0.000 0.217 344 A C 2.175 179.752 177.584 -0.012 0.000 1.169 344 A CA 1.382 53.419 52.037 0.000 0.000 0.638 344 A CB -0.560 18.441 19.000 0.002 0.000 0.812 344 A HN 0.484 nan 8.150 nan 0.000 0.446 345 M N -0.017 119.568 119.600 -0.025 0.000 2.099 345 M HA -0.065 4.415 4.480 0.001 0.000 0.262 345 M C 1.893 178.147 176.300 -0.078 0.000 1.067 345 M CA 1.717 56.986 55.300 -0.052 0.000 1.124 345 M CB -0.807 31.753 32.600 -0.066 0.000 1.353 345 M HN 0.417 nan 8.290 nan 0.000 0.410 346 L N 0.122 121.303 121.223 -0.070 0.000 2.083 346 L HA -0.237 4.104 4.340 0.001 0.000 0.209 346 L C 2.036 178.899 176.870 -0.011 0.000 1.083 346 L CA 1.167 55.955 54.840 -0.087 0.000 0.752 346 L CB -0.944 41.111 42.059 -0.005 0.000 0.899 346 L HN 0.248 nan 8.230 nan 0.000 0.433 347 D N -0.541 119.869 120.400 0.016 0.000 2.144 347 D HA -0.204 4.437 4.640 0.001 0.000 0.200 347 D C 2.156 178.473 176.300 0.030 0.000 0.978 347 D CA 0.957 54.981 54.000 0.040 0.000 0.833 347 D CB -0.011 40.807 40.800 0.030 0.000 0.961 347 D HN 0.213 nan 8.370 nan 0.000 0.470 348 Q N 0.417 120.217 119.800 0.000 0.000 2.079 348 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 348 Q C 1.990 177.984 176.000 -0.010 0.000 0.974 348 Q CA 0.856 56.657 55.803 -0.005 0.000 0.840 348 Q CB -0.539 28.189 28.738 -0.017 0.000 0.898 348 Q HN 0.197 nan 8.270 nan 0.000 0.430 349 L N -0.011 121.176 121.223 -0.060 0.000 2.046 349 L HA -0.119 4.222 4.340 0.001 0.000 0.208 349 L C 2.136 179.055 176.870 0.082 0.000 1.077 349 L CA 2.014 56.795 54.840 -0.097 0.000 0.747 349 L CB -0.844 40.977 42.059 -0.396 0.000 0.896 349 L HN 0.182 nan 8.230 nan 0.000 0.432 350 S N -0.372 115.441 115.700 0.188 0.000 2.370 350 S HA -0.196 4.274 4.470 0.001 0.000 0.226 350 S C 2.103 176.792 174.600 0.149 0.000 1.033 350 S CA 1.163 59.536 58.200 0.288 0.000 1.011 350 S CB -0.644 62.694 63.200 0.230 0.000 0.852 350 S HN 0.639 nan 8.310 nan 0.000 0.457 351 A N 1.581 124.457 122.820 0.092 0.000 1.902 351 A HA -0.149 4.172 4.320 0.001 0.000 0.217 351 A C 2.008 179.625 177.584 0.056 0.000 1.181 351 A CA 1.526 53.599 52.037 0.060 0.000 0.623 351 A CB -0.559 18.465 19.000 0.039 0.000 0.818 351 A HN 0.562 nan 8.150 nan 0.000 0.443 352 E N -0.798 119.435 120.200 0.055 0.000 2.106 352 E HA -0.127 4.223 4.350 0.001 0.000 0.192 352 E C 2.032 178.670 176.600 0.063 0.000 0.984 352 E CA 1.681 58.109 56.400 0.046 0.000 0.806 352 E CB -0.176 29.542 29.700 0.030 0.000 0.750 352 E HN 0.838 nan 8.360 nan 0.000 0.458 353 T N -4.117 110.499 114.554 0.104 0.000 2.990 353 T HA 0.285 4.635 4.350 0.001 0.000 0.250 353 T C 1.584 176.333 174.700 0.082 0.000 1.041 353 T CA 0.312 62.478 62.100 0.111 0.000 1.010 353 T CB 0.789 69.777 68.868 0.200 0.000 1.003 353 T HN 0.250 nan 8.240 nan 0.000 0.499 354 G N 1.883 110.730 108.800 0.078 0.000 2.148 354 G HA2 -0.262 3.699 3.960 0.001 0.000 0.254 354 G HA3 -0.262 3.699 3.960 0.001 0.000 0.254 354 G C 0.079 174.989 174.900 0.017 0.000 0.981 354 G CA 0.135 45.261 45.100 0.044 0.000 0.670 354 G HN 0.718 nan 8.290 nan 0.000 0.528 355 R N -0.392 120.114 120.500 0.009 0.000 2.720 355 R HA 0.635 4.976 4.340 0.001 0.000 0.272 355 R C 0.219 176.416 176.300 -0.171 0.000 0.991 355 R CA -0.853 55.160 56.100 -0.145 0.000 1.010 355 R CB 1.232 31.329 30.300 -0.340 0.000 1.141 355 R HN 0.131 nan 8.270 nan 0.000 0.494 356 K N 1.825 122.098 120.400 -0.212 0.000 2.258 356 K HA 0.191 4.512 4.320 0.001 0.000 0.284 356 K C -1.298 175.131 176.600 -0.285 0.000 1.051 356 K CA -0.126 56.084 56.287 -0.128 0.000 0.923 356 K CB 0.561 33.022 32.500 -0.065 0.000 1.046 356 K HN 0.404 nan 8.250 nan 0.000 0.474 357 Y N 1.726 122.052 120.300 0.043 0.000 2.429 357 Y HA 0.257 4.808 4.550 0.001 0.000 0.342 357 Y C 0.040 175.978 175.900 0.064 0.000 1.004 357 Y CA -0.651 57.482 58.100 0.055 0.000 1.075 357 Y CB 1.892 40.379 38.460 0.046 0.000 1.214 357 Y HN 0.522 nan 8.280 nan 0.000 0.455 358 E N 2.388 122.737 120.200 0.248 0.000 2.202 358 E HA 0.480 4.830 4.350 0.001 0.000 0.272 358 E C -1.664 175.050 176.600 0.190 0.000 0.951 358 E CA -1.131 55.389 56.400 0.200 0.000 0.813 358 E CB 2.511 32.365 29.700 0.255 0.000 1.151 358 E HN 0.325 nan 8.360 nan 0.000 0.398 359 L N 2.375 123.676 121.223 0.130 0.000 2.349 359 L HA 0.430 4.771 4.340 0.001 0.000 0.278 359 L C -0.660 176.267 176.870 0.095 0.000 0.996 359 L CA -0.005 54.901 54.840 0.111 0.000 0.825 359 L CB 1.536 43.635 42.059 0.066 0.000 1.243 359 L HN 0.679 nan 8.230 nan 0.000 0.412 360 T N 0.703 115.347 114.554 0.150 0.000 2.838 360 T HA 0.844 5.195 4.350 0.001 0.000 0.292 360 T C -0.701 174.116 174.700 0.196 0.000 1.113 360 T CA -0.768 61.408 62.100 0.126 0.000 1.008 360 T CB 1.694 70.686 68.868 0.206 0.000 1.259 360 T HN 0.627 nan 8.240 nan 0.000 0.520 361 S N -0.513 115.303 115.700 0.194 0.000 2.566 361 S HA 0.671 5.142 4.470 0.001 0.000 0.273 361 S C -0.952 173.839 174.600 0.318 0.000 1.157 361 S CA -0.448 57.923 58.200 0.286 0.000 0.938 361 S CB 1.004 64.390 63.200 0.311 0.000 1.087 361 S HN 1.315 nan 8.310 nan 0.000 0.474 362 A N 4.448 127.495 122.820 0.378 0.000 2.328 362 A HA 0.765 5.086 4.320 0.001 0.000 0.284 362 A C 0.024 177.761 177.584 0.254 0.000 1.160 362 A CA -0.612 51.620 52.037 0.326 0.000 0.818 362 A CB -0.245 18.981 19.000 0.377 0.000 1.087 362 A HN 1.103 nan 8.150 nan 0.000 0.504 363 I N -0.085 120.595 120.570 0.182 0.000 2.892 363 I HA 0.676 4.847 4.170 0.001 0.000 0.306 363 I C 0.094 176.281 176.117 0.116 0.000 1.078 363 I CA -0.758 60.627 61.300 0.143 0.000 1.032 363 I CB 2.037 40.020 38.000 -0.027 0.000 1.229 363 I HN 0.462 nan 8.210 nan 0.000 0.435 364 S N 2.422 118.184 115.700 0.103 0.000 2.558 364 S HA 0.339 4.809 4.470 0.001 0.000 0.288 364 S C 1.020 175.569 174.600 -0.084 0.000 1.318 364 S CA 0.268 58.404 58.200 -0.106 0.000 1.056 364 S CB 0.966 63.852 63.200 -0.522 0.000 0.853 364 S HN 0.879 nan 8.310 nan 0.000 0.505 365 A N 4.142 126.934 122.820 -0.045 0.000 2.251 365 A HA 0.394 4.715 4.320 0.001 0.000 0.209 365 A C 1.093 178.724 177.584 0.079 0.000 1.187 365 A CA 0.302 52.374 52.037 0.058 0.000 0.823 365 A CB -0.592 18.526 19.000 0.196 0.000 0.846 365 A HN 0.955 nan 8.150 nan 0.000 0.486 366 G N -0.337 108.456 108.800 -0.012 0.000 2.380 366 G HA2 0.315 4.276 3.960 0.001 0.000 0.262 366 G HA3 0.315 4.276 3.960 0.001 0.000 0.262 366 G C 0.656 175.583 174.900 0.044 0.000 1.243 366 G CA -0.083 45.057 45.100 0.066 0.000 0.865 366 G HN 0.393 nan 8.290 nan 0.000 0.513 367 K N 1.421 121.865 120.400 0.075 0.000 2.103 367 K HA -0.176 4.144 4.320 0.001 0.000 0.207 367 K C 1.996 178.597 176.600 0.002 0.000 1.048 367 K CA 2.004 58.300 56.287 0.016 0.000 0.930 367 K CB 0.061 32.552 32.500 -0.015 0.000 0.716 367 K HN 0.660 nan 8.250 nan 0.000 0.444 368 D N 0.480 120.892 120.400 0.021 0.000 2.178 368 D HA -0.191 4.449 4.640 0.001 0.000 0.202 368 D C 1.289 177.558 176.300 -0.052 0.000 0.974 368 D CA 1.340 55.335 54.000 -0.008 0.000 0.841 368 D CB -0.161 40.652 40.800 0.022 0.000 0.953 368 D HN 0.285 nan 8.370 nan 0.000 0.478 369 K N -0.014 120.331 120.400 -0.093 0.000 2.186 369 K HA 0.164 4.485 4.320 0.001 0.000 0.202 369 K C 2.427 178.967 176.600 -0.100 0.000 1.052 369 K CA 0.229 56.423 56.287 -0.155 0.000 0.965 369 K CB 0.166 32.466 32.500 -0.333 0.000 0.746 369 K HN 0.130 nan 8.250 nan 0.000 0.457 370 I N 1.714 122.263 120.570 -0.035 0.000 2.361 370 I HA -0.248 3.922 4.170 0.001 0.000 0.251 370 I C 1.121 177.263 176.117 0.041 0.000 1.133 370 I CA 1.154 62.504 61.300 0.083 0.000 1.413 370 I CB -0.098 37.939 38.000 0.062 0.000 1.073 370 I HN 0.114 nan 8.210 nan 0.000 0.424 371 D N 0.652 121.038 120.400 -0.024 0.000 2.349 371 D HA -0.057 4.584 4.640 0.001 0.000 0.224 371 D C 1.723 177.965 176.300 -0.096 0.000 1.029 371 D CA 0.601 54.573 54.000 -0.047 0.000 0.879 371 D CB 0.062 40.841 40.800 -0.034 0.000 0.906 371 D HN 0.306 nan 8.370 nan 0.000 0.528 372 K N -0.219 120.099 120.400 -0.136 0.000 2.459 372 K HA 0.092 4.412 4.320 0.001 0.000 0.193 372 K C 0.135 176.566 176.600 -0.282 0.000 1.030 372 K CA 0.269 56.448 56.287 -0.180 0.000 1.026 372 K CB 1.038 33.431 32.500 -0.178 0.000 0.809 372 K HN -0.093 nan 8.250 nan 0.000 0.504 373 V N 0.529 120.211 119.914 -0.387 0.000 2.709 373 V HA 0.355 4.475 4.120 0.001 0.000 0.308 373 V C -0.739 175.046 176.094 -0.516 0.000 1.062 373 V CA -1.314 60.612 62.300 -0.624 0.000 0.901 373 V CB 1.760 32.776 31.823 -1.345 0.000 1.003 373 V HN 0.010 nan 8.190 nan 0.000 0.425 374 A N 2.990 125.598 122.820 -0.353 0.000 2.990 374 A HA 0.367 4.688 4.320 0.001 0.000 0.282 374 A C 0.395 177.884 177.584 -0.158 0.000 1.688 374 A CA -0.015 51.910 52.037 -0.187 0.000 1.391 374 A CB -0.706 18.239 19.000 -0.091 0.000 1.112 374 A HN 0.830 nan 8.150 nan 0.000 0.588 375 Y N 1.359 121.635 120.300 -0.041 0.000 2.421 375 Y HA -0.214 4.337 4.550 0.001 0.000 0.292 375 Y C 2.383 178.286 175.900 0.006 0.000 1.136 375 Y CA 1.593 59.687 58.100 -0.010 0.000 1.255 375 Y CB -0.209 38.229 38.460 -0.036 0.000 0.991 375 Y HN 0.801 nan 8.280 nan 0.000 0.552 376 N N -0.201 118.574 118.700 0.125 0.000 2.309 376 N HA -0.108 4.632 4.740 0.001 0.000 0.182 376 N C 1.524 177.067 175.510 0.054 0.000 1.018 376 N CA 1.517 54.612 53.050 0.075 0.000 0.876 376 N CB -0.798 37.716 38.487 0.045 0.000 0.972 376 N HN 0.277 nan 8.380 nan 0.000 0.434 377 V N 1.362 121.301 119.914 0.042 0.000 2.331 377 V HA 0.054 4.175 4.120 0.001 0.000 0.242 377 V C 2.855 178.984 176.094 0.058 0.000 1.034 377 V CA 1.457 63.778 62.300 0.035 0.000 1.027 377 V CB -1.040 30.792 31.823 0.015 0.000 0.667 377 V HN 0.420 nan 8.190 nan 0.000 0.457 378 A N 0.945 123.818 122.820 0.089 0.000 1.972 378 A HA -0.295 4.026 4.320 0.001 0.000 0.219 378 A C 2.251 179.913 177.584 0.130 0.000 1.169 378 A CA 1.968 54.087 52.037 0.136 0.000 0.635 378 A CB -0.633 18.524 19.000 0.263 0.000 0.810 378 A HN 0.777 nan 8.150 nan 0.000 0.446 379 Q N -0.103 119.777 119.800 0.133 0.000 2.197 379 Q HA -0.246 4.094 4.340 0.001 0.000 0.207 379 Q C 1.153 177.175 176.000 0.036 0.000 0.984 379 Q CA 1.719 57.570 55.803 0.080 0.000 0.869 379 Q CB -0.634 28.142 28.738 0.062 0.000 0.906 379 Q HN 0.578 nan 8.270 nan 0.000 0.426 380 N N 0.470 119.191 118.700 0.036 0.000 2.443 380 N HA -0.066 4.675 4.740 0.001 0.000 0.184 380 N C 1.073 176.592 175.510 0.014 0.000 1.037 380 N CA 1.363 54.425 53.050 0.019 0.000 0.896 380 N CB -0.012 38.487 38.487 0.020 0.000 0.959 380 N HN 0.313 nan 8.380 nan 0.000 0.442 381 S N -0.125 115.588 115.700 0.021 0.000 2.517 381 S HA 0.249 4.719 4.470 0.001 0.000 0.214 381 S C 0.771 175.375 174.600 0.007 0.000 0.991 381 S CA 0.061 58.270 58.200 0.015 0.000 0.906 381 S CB 0.494 63.703 63.200 0.016 0.000 0.789 381 S HN 0.206 nan 8.310 nan 0.000 0.513 382 M N 1.343 120.944 119.600 0.000 0.000 2.404 382 M HA 0.353 4.834 4.480 0.001 0.000 0.338 382 M C 0.125 176.364 176.300 -0.101 0.000 1.150 382 M CA -0.469 54.817 55.300 -0.022 0.000 1.016 382 M CB 1.390 33.997 32.600 0.013 0.000 1.672 382 M HN -0.088 nan 8.290 nan 0.000 0.448 383 D N 0.622 120.922 120.400 -0.166 0.000 2.103 383 D HA -0.018 4.623 4.640 0.001 0.000 0.199 383 D C 0.117 175.969 176.300 -0.747 0.000 0.978 383 D CA 1.404 55.145 54.000 -0.431 0.000 0.829 383 D CB 0.355 40.913 40.800 -0.404 0.000 0.981 383 D HN 0.529 nan 8.370 nan 0.000 0.464 384 H N -0.894 118.053 119.070 -0.206 0.000 2.930 384 H HA 0.443 5.000 4.556 0.001 0.000 0.371 384 H C -0.547 174.502 175.328 -0.465 0.000 1.169 384 H CA -0.581 55.222 56.048 -0.408 0.000 1.157 384 H CB 2.039 31.350 29.762 -0.751 0.000 1.789 384 H HN -0.141 nan 8.280 nan 0.000 0.547 385 I N 2.473 122.866 120.570 -0.296 0.000 2.355 385 I HA 0.129 4.300 4.170 0.001 0.000 0.288 385 I C -0.566 175.354 176.117 -0.328 0.000 0.999 385 I CA -0.563 60.580 61.300 -0.261 0.000 1.163 385 I CB 0.668 38.559 38.000 -0.181 0.000 1.316 385 I HN 0.248 nan 8.210 nan 0.000 0.454 386 F N 6.930 126.799 119.950 -0.134 0.000 2.423 386 F HA 0.234 4.761 4.527 0.001 0.000 0.356 386 F C 0.170 175.907 175.800 -0.104 0.000 1.170 386 F CA -0.610 57.150 58.000 -0.401 0.000 1.163 386 F CB 0.487 38.937 39.000 -0.917 0.000 1.318 386 F HN 0.299 nan 8.300 nan 0.000 0.569 387 L N 5.229 126.646 121.223 0.325 0.000 2.385 387 L HA 0.235 4.576 4.340 0.001 0.000 0.281 387 L C 0.307 177.369 176.870 0.321 0.000 1.106 387 L CA 0.238 55.227 54.840 0.249 0.000 0.856 387 L CB 0.241 42.404 42.059 0.173 0.000 1.186 387 L HN 0.508 nan 8.230 nan 0.000 0.453 388 M N 4.703 124.356 119.600 0.089 0.000 3.596 388 M HA 0.073 4.553 4.480 0.001 0.000 0.212 388 M C 0.645 176.492 176.300 -0.754 0.000 1.519 388 M CA 0.057 55.121 55.300 -0.394 0.000 1.670 388 M CB -0.617 31.821 32.600 -0.270 0.000 1.113 388 M HN 0.758 nan 8.290 nan 0.000 0.565 389 S N 1.402 116.788 115.700 -0.524 0.000 4.069 389 S HA 0.290 4.760 4.470 0.001 0.000 0.192 389 S C -0.570 173.605 174.600 -0.708 0.000 1.441 389 S CA -0.504 57.483 58.200 -0.356 0.000 0.994 389 S CB -1.006 62.232 63.200 0.064 0.000 1.456 389 S HN 0.569 nan 8.310 nan 0.000 0.458 390 Y N -3.056 116.762 120.300 -0.803 0.000 2.788 390 Y HA 0.549 5.100 4.550 0.001 0.000 0.335 390 Y C -0.370 175.204 175.900 -0.544 0.000 1.287 390 Y CA -1.652 56.033 58.100 -0.691 0.000 1.068 390 Y CB -0.277 38.019 38.460 -0.273 0.000 1.340 390 Y HN 0.143 nan 8.280 nan 0.000 0.449 391 D N -0.319 120.125 120.400 0.074 0.000 2.911 391 D HA -0.198 4.442 4.640 0.001 0.000 0.227 391 D C 0.439 176.855 176.300 0.193 0.000 1.164 391 D CA 1.139 55.255 54.000 0.194 0.000 0.782 391 D CB -1.290 39.596 40.800 0.142 0.000 1.094 391 D HN 0.502 nan 8.370 nan 0.000 0.425 392 F N -0.663 119.423 119.950 0.226 0.000 2.234 392 F HA 0.019 4.546 4.527 0.001 0.000 0.299 392 F C 1.033 176.875 175.800 0.071 0.000 1.087 392 F CA 0.863 58.924 58.000 0.102 0.000 1.340 392 F CB -0.187 38.974 39.000 0.268 0.000 1.031 392 F HN 0.081 nan 8.300 nan 0.000 0.500 393 Y N -1.878 118.739 120.300 0.529 0.000 2.625 393 Y HA 0.638 5.188 4.550 0.001 0.000 0.338 393 Y C 0.432 176.356 175.900 0.041 0.000 1.123 393 Y CA -1.078 57.252 58.100 0.382 0.000 1.046 393 Y CB 1.742 40.472 38.460 0.449 0.000 1.299 393 Y HN -0.121 nan 8.280 nan 0.000 0.464 394 G N -0.538 108.061 108.800 -0.335 0.000 2.320 394 G HA2 0.429 4.389 3.960 0.001 0.000 0.296 394 G HA3 0.429 4.389 3.960 0.001 0.000 0.296 394 G C -0.530 173.821 174.900 -0.916 0.000 1.306 394 G CA -0.230 44.364 45.100 -0.844 0.000 0.836 394 G HN 0.887 nan 8.290 nan 0.000 0.517 395 A N -0.650 121.700 122.820 -0.783 0.000 2.248 395 A HA 0.294 4.615 4.320 0.001 0.000 0.210 395 A C 1.785 179.325 177.584 -0.074 0.000 1.174 395 A CA 1.919 53.728 52.037 -0.379 0.000 0.750 395 A CB -0.947 17.890 19.000 -0.272 0.000 0.780 395 A HN 1.313 nan 8.150 nan 0.000 0.478 396 F N -1.052 118.956 119.950 0.096 0.000 2.661 396 F HA 0.251 4.778 4.527 0.001 0.000 0.298 396 F C 0.276 176.175 175.800 0.164 0.000 1.137 396 F CA -0.268 57.794 58.000 0.103 0.000 1.454 396 F CB -0.180 38.850 39.000 0.051 0.000 1.103 396 F HN 0.149 nan 8.300 nan 0.000 0.577 397 D N 0.670 121.107 120.400 0.061 0.000 2.575 397 D HA 0.272 4.913 4.640 0.001 0.000 0.250 397 D C 0.194 176.645 176.300 0.252 0.000 1.279 397 D CA -0.385 53.738 54.000 0.204 0.000 0.925 397 D CB 1.285 42.241 40.800 0.260 0.000 1.261 397 D HN 0.177 nan 8.370 nan 0.000 0.567 398 L N 2.566 123.908 121.223 0.199 0.000 2.529 398 L HA 0.118 4.458 4.340 0.001 0.000 0.223 398 L C 1.841 178.713 176.870 0.003 0.000 1.113 398 L CA 0.266 55.195 54.840 0.149 0.000 0.861 398 L CB 0.101 42.248 42.059 0.147 0.000 1.012 398 L HN 0.116 nan 8.230 nan 0.000 0.461 399 K N 0.120 120.542 120.400 0.037 0.000 2.168 399 K HA 0.165 4.485 4.320 0.001 0.000 0.201 399 K C 0.427 177.015 176.600 -0.020 0.000 1.049 399 K CA 0.615 56.904 56.287 0.002 0.000 0.974 399 K CB 0.090 32.614 32.500 0.040 0.000 0.792 399 K HN 0.212 nan 8.250 nan 0.000 0.463 400 N N 1.674 120.406 118.700 0.052 0.000 2.511 400 N HA 0.241 4.981 4.740 0.001 0.000 0.249 400 N C -0.579 175.013 175.510 0.136 0.000 0.971 400 N CA -0.208 52.904 53.050 0.103 0.000 0.938 400 N CB 1.749 40.363 38.487 0.212 0.000 1.131 400 N HN -0.056 nan 8.380 nan 0.000 0.505 401 L N 0.814 121.951 121.223 -0.142 0.000 2.344 401 L HA 0.861 5.202 4.340 0.001 0.000 0.272 401 L C 0.921 177.507 176.870 -0.473 0.000 1.035 401 L CA -0.823 53.775 54.840 -0.402 0.000 0.807 401 L CB 1.722 43.251 42.059 -0.884 0.000 1.237 401 L HN 0.503 nan 8.230 nan 0.000 0.442 402 G N -1.057 107.368 108.800 -0.624 0.000 2.506 402 G HA2 0.273 4.234 3.960 0.001 0.000 0.292 402 G HA3 0.273 4.234 3.960 0.001 0.000 0.292 402 G C -1.575 172.855 174.900 -0.783 0.000 1.425 402 G CA -0.767 43.537 45.100 -1.327 0.000 0.788 402 G HN 0.460 nan 8.290 nan 0.000 0.490 403 H N 0.745 119.399 119.070 -0.693 0.000 2.848 403 H HA 0.110 4.666 4.556 0.001 0.000 0.317 403 H C 1.473 176.954 175.328 0.256 0.000 1.046 403 H CA 0.707 56.611 56.048 -0.240 0.000 1.470 403 H CB 1.852 31.440 29.762 -0.291 0.000 1.483 403 H HN 0.732 nan 8.280 nan 0.000 0.548 404 Q N 1.529 121.584 119.800 0.426 0.000 2.378 404 Q HA -0.037 4.303 4.340 0.001 0.000 0.205 404 Q C 0.915 177.043 176.000 0.213 0.000 0.954 404 Q CA 1.409 57.469 55.803 0.428 0.000 0.901 404 Q CB 0.587 29.494 28.738 0.281 0.000 0.981 404 Q HN 0.473 nan 8.270 nan 0.000 0.483 405 T N -0.721 113.950 114.554 0.194 0.000 3.641 405 T HA 0.561 4.912 4.350 0.001 0.000 0.313 405 T C -0.395 174.405 174.700 0.168 0.000 0.952 405 T CA 0.041 62.152 62.100 0.019 0.000 1.004 405 T CB -0.055 68.773 68.868 -0.066 0.000 1.209 405 T HN 0.451 nan 8.240 nan 0.000 0.493 406 A N 0.806 123.797 122.820 0.285 0.000 2.366 406 A HA 0.604 4.925 4.320 0.001 0.000 0.249 406 A C 1.366 178.988 177.584 0.063 0.000 1.084 406 A CA -0.318 51.747 52.037 0.047 0.000 0.794 406 A CB 0.141 19.092 19.000 -0.082 0.000 1.034 406 A HN 0.460 nan 8.150 nan 0.000 0.491 407 L N 1.027 122.200 121.223 -0.084 0.000 2.023 407 L HA 0.042 4.382 4.340 0.001 0.000 0.205 407 L C 0.708 177.465 176.870 -0.188 0.000 1.073 407 L CA 1.638 56.384 54.840 -0.156 0.000 0.745 407 L CB -0.435 41.495 42.059 -0.215 0.000 0.900 407 L HN 0.768 nan 8.230 nan 0.000 0.435 408 N N -1.027 117.561 118.700 -0.187 0.000 2.619 408 N HA 0.497 5.238 4.740 0.001 0.000 0.294 408 N C -0.649 174.740 175.510 -0.203 0.000 1.279 408 N CA -0.022 52.913 53.050 -0.191 0.000 0.867 408 N CB 0.988 39.371 38.487 -0.173 0.000 1.329 408 N HN 0.194 nan 8.380 nan 0.000 0.557 409 A N 0.926 123.616 122.820 -0.217 0.000 2.332 409 A HA 0.455 4.775 4.320 0.001 0.000 0.258 409 A C -2.148 175.222 177.584 -0.357 0.000 1.087 409 A CA -0.816 51.055 52.037 -0.278 0.000 0.802 409 A CB -0.408 18.435 19.000 -0.262 0.000 1.042 409 A HN 0.433 nan 8.150 nan 0.000 0.489 410 P HA 0.305 nan 4.420 nan 0.000 0.279 410 P C 0.596 177.502 177.300 -0.657 0.000 1.252 410 P CA 0.272 62.879 63.100 -0.821 0.000 0.811 410 P CB 1.251 31.805 31.700 -1.910 0.000 1.035 411 A N 1.918 124.513 122.820 -0.375 0.000 1.948 411 A HA -0.175 4.145 4.320 0.001 0.000 0.220 411 A C 1.736 179.287 177.584 -0.055 0.000 1.177 411 A CA 1.818 53.779 52.037 -0.126 0.000 0.636 411 A CB -1.783 17.239 19.000 0.036 0.000 0.815 411 A HN 0.832 nan 8.150 nan 0.000 0.449 412 W N -1.215 120.046 121.300 -0.065 0.000 3.077 412 W HA 0.347 5.007 4.660 0.001 0.000 0.245 412 W C 0.498 176.967 176.519 -0.082 0.000 1.316 412 W CA 0.672 57.975 57.345 -0.070 0.000 1.537 412 W CB 0.083 29.495 29.460 -0.079 0.000 1.131 412 W HN 0.148 nan 8.180 nan 0.000 0.695 413 K N 1.290 121.472 120.400 -0.363 0.000 3.204 413 K HA 0.106 4.427 4.320 0.001 0.000 0.196 413 K C -2.136 174.294 176.600 -0.285 0.000 1.229 413 K CA -0.816 55.321 56.287 -0.252 0.000 0.820 413 K CB 0.737 33.099 32.500 -0.230 0.000 1.130 413 K HN -0.307 nan 8.250 nan 0.000 0.569 414 P HA -0.142 nan 4.420 nan 0.000 0.228 414 P C 0.264 177.467 177.300 -0.161 0.000 1.151 414 P CA 1.040 64.029 63.100 -0.186 0.000 0.770 414 P CB 0.185 31.809 31.700 -0.126 0.000 0.786 415 D N -1.535 118.778 120.400 -0.144 0.000 2.342 415 D HA -0.009 4.632 4.640 0.001 0.000 0.221 415 D C -0.081 176.125 176.300 -0.157 0.000 1.101 415 D CA -0.131 53.790 54.000 -0.131 0.000 0.837 415 D CB -1.191 39.549 40.800 -0.100 0.000 0.938 415 D HN -0.124 nan 8.370 nan 0.000 0.508 416 T N 0.800 115.246 114.554 -0.180 0.000 2.849 416 T HA 0.229 4.579 4.350 0.001 0.000 0.289 416 T C 1.406 175.961 174.700 -0.241 0.000 1.010 416 T CA 0.489 62.483 62.100 -0.176 0.000 1.161 416 T CB 1.281 70.040 68.868 -0.182 0.000 0.989 416 T HN 0.307 nan 8.240 nan 0.000 0.523 417 A N 4.095 126.711 122.820 -0.340 0.000 1.854 417 A HA 0.027 4.348 4.320 0.001 0.000 0.214 417 A C 0.394 177.628 177.584 -0.584 0.000 1.192 417 A CA 0.941 52.654 52.037 -0.541 0.000 0.611 417 A CB -0.344 18.147 19.000 -0.848 0.000 0.832 417 A HN 0.784 nan 8.150 nan 0.000 0.442 418 Y N 1.622 121.726 120.300 -0.328 0.000 2.650 418 Y HA 0.449 4.999 4.550 0.001 0.000 0.343 418 Y C 0.814 176.037 175.900 -1.129 0.000 1.078 418 Y CA -0.369 57.317 58.100 -0.690 0.000 1.356 418 Y CB -0.110 38.013 38.460 -0.563 0.000 1.204 418 Y HN 0.299 nan 8.280 nan 0.000 0.508 419 T N -2.877 111.161 114.554 -0.861 0.000 2.901 419 T HA 0.307 4.657 4.350 0.001 0.000 0.293 419 T C 1.007 175.485 174.700 -0.370 0.000 1.084 419 T CA -0.668 61.020 62.100 -0.687 0.000 1.008 419 T CB 1.616 70.301 68.868 -0.305 0.000 1.170 419 T HN 0.296 nan 8.240 nan 0.000 0.509 420 T N 1.014 115.591 114.554 0.038 0.000 2.684 420 T HA -0.110 4.240 4.350 0.001 0.000 0.267 420 T C 2.067 176.772 174.700 0.008 0.000 1.036 420 T CA 1.641 63.830 62.100 0.148 0.000 1.148 420 T CB -0.453 68.468 68.868 0.088 0.000 0.863 420 T HN 0.493 nan 8.240 nan 0.000 0.436 421 V N 2.427 122.274 119.914 -0.112 0.000 2.407 421 V HA -0.167 3.953 4.120 0.001 0.000 0.248 421 V C 2.394 178.478 176.094 -0.018 0.000 1.055 421 V CA 1.468 63.724 62.300 -0.073 0.000 1.049 421 V CB -0.669 31.069 31.823 -0.142 0.000 0.662 421 V HN 0.431 nan 8.190 nan 0.000 0.455 422 N N 0.857 119.513 118.700 -0.073 0.000 2.223 422 N HA -0.099 4.642 4.740 0.001 0.000 0.185 422 N C 1.846 177.343 175.510 -0.021 0.000 1.016 422 N CA 1.513 54.523 53.050 -0.067 0.000 0.863 422 N CB -0.550 37.860 38.487 -0.129 0.000 0.983 422 N HN 0.526 nan 8.380 nan 0.000 0.429 423 G N 0.166 108.971 108.800 0.009 0.000 2.395 423 G HA2 -0.112 3.848 3.960 0.001 0.000 0.214 423 G HA3 -0.112 3.848 3.960 0.001 0.000 0.214 423 G C 1.671 176.595 174.900 0.041 0.000 1.177 423 G CA 0.493 45.617 45.100 0.040 0.000 0.794 423 G HN 0.170 nan 8.290 nan 0.000 0.532 424 V N 1.705 121.667 119.914 0.080 0.000 2.358 424 V HA -0.172 3.948 4.120 0.001 0.000 0.246 424 V C 2.636 178.769 176.094 0.064 0.000 1.047 424 V CA 1.803 64.161 62.300 0.096 0.000 1.035 424 V CB -0.484 31.466 31.823 0.211 0.000 0.658 424 V HN 0.282 nan 8.190 nan 0.000 0.452 425 N N 0.656 119.394 118.700 0.062 0.000 2.166 425 N HA -0.113 4.627 4.740 0.001 0.000 0.186 425 N C 1.882 177.402 175.510 0.017 0.000 1.019 425 N CA 1.584 54.656 53.050 0.037 0.000 0.856 425 N CB -0.531 37.971 38.487 0.025 0.000 0.993 425 N HN 0.495 nan 8.380 nan 0.000 0.426 426 A N 1.250 124.077 122.820 0.011 0.000 1.908 426 A HA -0.091 4.229 4.320 0.001 0.000 0.218 426 A C 2.364 179.959 177.584 0.018 0.000 1.181 426 A CA 1.033 53.075 52.037 0.009 0.000 0.627 426 A CB -0.755 18.249 19.000 0.006 0.000 0.818 426 A HN 0.222 nan 8.150 nan 0.000 0.445 427 L N -0.772 120.457 121.223 0.010 0.000 2.027 427 L HA -0.164 4.177 4.340 0.001 0.000 0.206 427 L C 2.578 179.459 176.870 0.018 0.000 1.074 427 L CA 1.079 55.924 54.840 0.007 0.000 0.745 427 L CB -0.601 41.430 42.059 -0.047 0.000 0.898 427 L HN 0.359 nan 8.230 nan 0.000 0.433 428 L N -0.803 120.428 121.223 0.013 0.000 2.083 428 L HA -0.197 4.143 4.340 0.001 0.000 0.209 428 L C 2.591 179.469 176.870 0.012 0.000 1.083 428 L CA 1.433 56.279 54.840 0.011 0.000 0.752 428 L CB -0.898 41.168 42.059 0.011 0.000 0.899 428 L HN 0.262 nan 8.230 nan 0.000 0.433 429 T N -1.101 113.461 114.554 0.013 0.000 2.867 429 T HA -0.186 4.165 4.350 0.001 0.000 0.268 429 T C 1.878 176.585 174.700 0.012 0.000 1.057 429 T CA 1.009 63.114 62.100 0.009 0.000 1.136 429 T CB -0.113 68.757 68.868 0.004 0.000 0.874 429 T HN 0.382 nan 8.240 nan 0.000 0.466 430 Q N 0.027 119.841 119.800 0.023 0.000 2.226 430 Q HA 0.024 4.364 4.340 0.001 0.000 0.204 430 Q C 1.755 177.771 176.000 0.026 0.000 0.975 430 Q CA 1.014 56.834 55.803 0.030 0.000 0.866 430 Q CB -0.060 28.714 28.738 0.060 0.000 0.915 430 Q HN 0.662 nan 8.270 nan 0.000 0.440 431 G N -0.011 108.803 108.800 0.024 0.000 2.148 431 G HA2 -0.199 3.761 3.960 0.001 0.000 0.203 431 G HA3 -0.199 3.761 3.960 0.001 0.000 0.203 431 G C 0.018 174.933 174.900 0.025 0.000 0.993 431 G CA -0.100 45.011 45.100 0.020 0.000 0.661 431 G HN 0.163 nan 8.290 nan 0.000 0.518 432 V N 1.478 121.411 119.914 0.032 0.000 2.599 432 V HA 0.170 4.290 4.120 0.001 0.000 0.300 432 V C 1.202 177.301 176.094 0.008 0.000 1.034 432 V CA 0.307 62.623 62.300 0.027 0.000 1.115 432 V CB 0.943 32.778 31.823 0.020 0.000 0.934 432 V HN 0.350 nan 8.190 nan 0.000 0.485 433 K N 7.720 128.122 120.400 0.004 0.000 2.412 433 K HA 0.146 4.467 4.320 0.001 0.000 0.281 433 K C -1.334 175.260 176.600 -0.011 0.000 1.027 433 K CA -1.178 55.106 56.287 -0.004 0.000 0.989 433 K CB 0.734 33.230 32.500 -0.006 0.000 0.935 433 K HN 0.445 nan 8.250 nan 0.000 0.475 434 P HA -0.175 nan 4.420 nan 0.000 0.216 434 P C 1.193 178.483 177.300 -0.018 0.000 1.150 434 P CA 1.259 64.344 63.100 -0.024 0.000 0.837 434 P CB 0.050 31.726 31.700 -0.039 0.000 0.786 435 G N 0.297 109.090 108.800 -0.011 0.000 2.535 435 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 435 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 435 G C 1.580 176.487 174.900 0.012 0.000 1.122 435 G CA 0.416 45.518 45.100 0.003 0.000 0.769 435 G HN 0.261 nan 8.290 nan 0.000 0.549 436 K N -0.254 120.140 120.400 -0.009 0.000 2.356 436 K HA 0.195 4.515 4.320 0.001 0.000 0.195 436 K C 0.598 177.181 176.600 -0.029 0.000 1.037 436 K CA -0.022 56.247 56.287 -0.030 0.000 1.014 436 K CB 0.526 32.997 32.500 -0.048 0.000 0.815 436 K HN 0.332 nan 8.250 nan 0.000 0.507 437 I N 2.295 122.858 120.570 -0.012 0.000 2.312 437 I HA 0.072 4.243 4.170 0.001 0.000 0.291 437 I C -0.305 175.841 176.117 0.048 0.000 1.031 437 I CA -0.624 60.675 61.300 -0.002 0.000 1.293 437 I CB 1.314 39.318 38.000 0.008 0.000 1.403 437 I HN -0.353 nan 8.210 nan 0.000 0.484 438 V N 7.611 127.568 119.914 0.073 0.000 2.357 438 V HA 0.276 4.396 4.120 0.001 0.000 0.284 438 V C 0.245 176.598 176.094 0.432 0.000 1.018 438 V CA -0.724 61.709 62.300 0.222 0.000 0.841 438 V CB 1.660 33.606 31.823 0.204 0.000 0.991 438 V HN 0.386 nan 8.190 nan 0.000 0.437 439 V N 4.103 124.233 119.914 0.361 0.000 2.583 439 V HA 0.570 4.691 4.120 0.001 0.000 0.287 439 V C 1.002 177.243 176.094 0.246 0.000 1.051 439 V CA 0.067 62.553 62.300 0.310 0.000 1.010 439 V CB 1.628 33.597 31.823 0.244 0.000 0.988 439 V HN 0.965 nan 8.190 nan 0.000 0.478 440 G N 2.655 111.504 108.800 0.081 0.000 2.367 440 G HA2 0.622 4.582 3.960 0.001 0.000 0.314 440 G HA3 0.622 4.582 3.960 0.001 0.000 0.314 440 G C -0.173 174.659 174.900 -0.113 0.000 1.130 440 G CA -0.133 44.713 45.100 -0.423 0.000 0.864 440 G HN 0.833 nan 8.290 nan 0.000 0.486 441 T N -1.515 112.939 114.554 -0.168 0.000 2.908 441 T HA 0.743 5.093 4.350 0.001 0.000 0.290 441 T C -0.212 174.403 174.700 -0.142 0.000 1.034 441 T CA -0.550 61.504 62.100 -0.078 0.000 1.010 441 T CB 2.070 70.880 68.868 -0.097 0.000 1.068 441 T HN 1.089 nan 8.240 nan 0.000 0.481 442 A N 3.001 125.699 122.820 -0.202 0.000 2.276 442 A HA 0.660 4.981 4.320 0.001 0.000 0.316 442 A C 0.657 178.101 177.584 -0.233 0.000 1.229 442 A CA -1.006 50.791 52.037 -0.399 0.000 0.851 442 A CB 0.416 18.924 19.000 -0.820 0.000 1.165 442 A HN 0.978 nan 8.150 nan 0.000 0.513 443 M N 2.335 121.905 119.600 -0.051 0.000 2.631 443 M HA 0.215 4.696 4.480 0.001 0.000 0.241 443 M C -0.855 175.592 176.300 0.245 0.000 1.255 443 M CA 0.312 55.645 55.300 0.054 0.000 0.983 443 M CB -0.718 31.894 32.600 0.020 0.000 1.580 443 M HN 0.756 nan 8.290 nan 0.000 0.464 444 Y N -3.461 116.920 120.300 0.134 0.000 2.638 444 Y HA 0.842 5.393 4.550 0.001 0.000 0.335 444 Y C -0.540 175.485 175.900 0.209 0.000 1.155 444 Y CA -1.818 56.380 58.100 0.163 0.000 1.046 444 Y CB 0.411 38.956 38.460 0.142 0.000 1.303 444 Y HN -0.080 nan 8.280 nan 0.000 0.460 445 G N 1.480 110.427 108.800 0.245 0.000 2.454 445 G HA2 0.714 4.675 3.960 0.001 0.000 0.329 445 G HA3 0.714 4.675 3.960 0.001 0.000 0.329 445 G C -1.367 173.679 174.900 0.244 0.000 1.177 445 G CA -1.461 43.774 45.100 0.225 0.000 0.951 445 G HN 0.679 nan 8.290 nan 0.000 0.485 446 R N -0.612 119.977 120.500 0.149 0.000 2.732 446 R HA 0.738 5.079 4.340 0.001 0.000 0.278 446 R C -0.112 176.055 176.300 -0.222 0.000 0.976 446 R CA -0.489 55.604 56.100 -0.012 0.000 0.963 446 R CB 2.265 32.538 30.300 -0.046 0.000 1.150 446 R HN 0.743 nan 8.270 nan 0.000 0.478 447 G N 0.745 109.293 108.800 -0.419 0.000 2.623 447 G HA2 0.464 4.425 3.960 0.001 0.000 0.290 447 G HA3 0.464 4.425 3.960 0.001 0.000 0.290 447 G C -1.765 172.822 174.900 -0.522 0.000 1.437 447 G CA -0.663 44.157 45.100 -0.466 0.000 0.798 447 G HN 0.365 nan 8.290 nan 0.000 0.488 448 W N -0.413 120.914 121.300 0.044 0.000 2.719 448 W HA 0.684 5.345 4.660 0.001 0.000 0.352 448 W C -0.202 176.334 176.519 0.028 0.000 1.085 448 W CA -0.598 56.759 57.345 0.019 0.000 1.187 448 W CB 2.328 31.780 29.460 -0.013 0.000 1.417 448 W HN 0.609 nan 8.180 nan 0.000 0.557 449 T N -0.750 113.955 114.554 0.253 0.000 2.932 449 T HA 0.495 4.845 4.350 0.001 0.000 0.289 449 T C 0.680 175.459 174.700 0.132 0.000 1.039 449 T CA 0.617 62.805 62.100 0.146 0.000 1.024 449 T CB 1.086 70.002 68.868 0.080 0.000 1.090 449 T HN 0.878 nan 8.240 nan 0.000 0.496 450 G N 1.416 110.265 108.800 0.081 0.000 2.153 450 G HA2 -0.210 3.751 3.960 0.001 0.000 0.252 450 G HA3 -0.210 3.751 3.960 0.001 0.000 0.252 450 G C 0.207 175.155 174.900 0.080 0.000 0.994 450 G CA 0.220 45.358 45.100 0.064 0.000 0.698 450 G HN 0.969 nan 8.290 nan 0.000 0.521 451 V N 0.894 120.874 119.914 0.109 0.000 2.599 451 V HA 0.429 4.550 4.120 0.001 0.000 0.300 451 V C 0.565 176.771 176.094 0.187 0.000 1.034 451 V CA 0.885 63.221 62.300 0.060 0.000 1.115 451 V CB 0.652 32.432 31.823 -0.072 0.000 0.934 451 V HN 1.020 nan 8.190 nan 0.000 0.485 452 N N 1.622 120.422 118.700 0.166 0.000 2.710 452 N HA 0.621 5.362 4.740 0.001 0.000 0.257 452 N C 0.016 175.573 175.510 0.078 0.000 1.327 452 N CA -0.260 52.892 53.050 0.170 0.000 0.861 452 N CB 1.747 40.265 38.487 0.051 0.000 1.532 452 N HN 0.964 nan 8.380 nan 0.000 0.499 453 G N -0.958 107.780 108.800 -0.104 0.000 2.149 453 G HA2 -0.232 3.729 3.960 0.001 0.000 0.235 453 G HA3 -0.232 3.729 3.960 0.001 0.000 0.235 453 G C -0.603 174.218 174.900 -0.131 0.000 1.018 453 G CA 0.583 45.600 45.100 -0.138 0.000 0.728 453 G HN 0.952 nan 8.290 nan 0.000 0.508 454 Y N -1.214 118.990 120.300 -0.159 0.000 2.403 454 Y HA 0.879 5.430 4.550 0.001 0.000 0.323 454 Y C 0.203 175.997 175.900 -0.177 0.000 1.226 454 Y CA -1.779 56.192 58.100 -0.215 0.000 1.235 454 Y CB 0.964 39.235 38.460 -0.316 0.000 1.248 454 Y HN 0.101 nan 8.280 nan 0.000 0.489 455 Q N 0.885 120.659 119.800 -0.042 0.000 2.257 455 Q HA 0.377 4.717 4.340 0.001 0.000 0.262 455 Q C -0.475 175.499 176.000 -0.044 0.000 0.997 455 Q CA -0.753 55.003 55.803 -0.078 0.000 0.873 455 Q CB 0.996 29.685 28.738 -0.081 0.000 1.312 455 Q HN 0.738 nan 8.270 nan 0.000 0.450 456 N N 2.638 121.317 118.700 -0.035 0.000 2.721 456 N HA -0.252 4.489 4.740 0.001 0.000 0.249 456 N C -0.895 174.617 175.510 0.003 0.000 1.072 456 N CA 0.898 53.938 53.050 -0.016 0.000 0.710 456 N CB -0.966 37.506 38.487 -0.025 0.000 0.993 456 N HN 0.795 nan 8.380 nan 0.000 0.547 457 N N -1.498 117.244 118.700 0.070 0.000 2.708 457 N HA -0.201 4.539 4.740 0.001 0.000 0.251 457 N C -0.660 174.818 175.510 -0.054 0.000 1.123 457 N CA 0.983 54.096 53.050 0.105 0.000 0.739 457 N CB -0.732 37.807 38.487 0.087 0.000 1.113 457 N HN 0.481 nan 8.380 nan 0.000 0.561 458 I N 0.817 121.280 120.570 -0.178 0.000 2.347 458 I HA 0.166 4.337 4.170 0.001 0.000 0.283 458 I C -1.360 174.327 176.117 -0.717 0.000 1.058 458 I CA -1.756 59.246 61.300 -0.497 0.000 1.202 458 I CB 1.111 38.660 38.000 -0.751 0.000 1.386 458 I HN -0.287 nan 8.210 nan 0.000 0.475 459 P HA -0.146 nan 4.420 nan 0.000 0.218 459 P C 1.560 178.176 177.300 -1.141 0.000 1.146 459 P CA 1.493 63.613 63.100 -1.633 0.000 0.813 459 P CB 0.066 30.471 31.700 -2.159 0.000 0.778 460 F N 0.035 119.423 119.950 -0.938 0.000 2.333 460 F HA -0.109 4.419 4.527 0.001 0.000 0.300 460 F C 2.131 177.566 175.800 -0.608 0.000 1.083 460 F CA 1.662 59.191 58.000 -0.785 0.000 1.395 460 F CB -1.781 36.789 39.000 -0.716 0.000 1.056 460 F HN 0.012 nan 8.300 nan 0.000 0.529 461 T N -2.787 111.484 114.554 -0.472 0.000 3.148 461 T HA 0.279 4.629 4.350 0.001 0.000 0.253 461 T C 1.307 175.896 174.700 -0.186 0.000 1.134 461 T CA 0.421 62.340 62.100 -0.302 0.000 1.051 461 T CB -0.622 68.056 68.868 -0.318 0.000 0.959 461 T HN 0.185 nan 8.240 nan 0.000 0.525 462 G N 1.241 109.917 108.800 -0.206 0.000 2.695 462 G HA2 0.590 4.550 3.960 0.001 0.000 0.213 462 G HA3 0.590 4.550 3.960 0.001 0.000 0.213 462 G C -0.407 174.386 174.900 -0.178 0.000 1.406 462 G CA -0.133 44.898 45.100 -0.115 0.000 1.049 462 G HN 0.617 nan 8.290 nan 0.000 0.573 463 T N -3.626 110.842 114.554 -0.143 0.000 2.896 463 T HA 0.740 5.090 4.350 0.001 0.000 0.297 463 T C -0.461 174.155 174.700 -0.141 0.000 1.108 463 T CA -0.085 61.920 62.100 -0.158 0.000 1.004 463 T CB 1.764 70.584 68.868 -0.080 0.000 1.159 463 T HN 1.269 nan 8.240 nan 0.000 0.499 464 A N 0.688 123.423 122.820 -0.141 0.000 2.322 464 A HA 0.812 5.132 4.320 0.001 0.000 0.327 464 A C 1.057 178.666 177.584 0.041 0.000 1.134 464 A CA -0.283 51.728 52.037 -0.042 0.000 0.831 464 A CB 1.216 20.203 19.000 -0.021 0.000 1.288 464 A HN 1.383 nan 8.150 nan 0.000 0.472 465 T N -2.718 111.882 114.554 0.077 0.000 3.044 465 T HA 0.544 4.894 4.350 0.001 0.000 0.260 465 T C 0.587 175.342 174.700 0.093 0.000 1.019 465 T CA 0.678 62.821 62.100 0.071 0.000 0.921 465 T CB -0.238 68.660 68.868 0.051 0.000 1.053 465 T HN 2.090 nan 8.240 nan 0.000 0.533 466 G N 1.592 110.474 108.800 0.137 0.000 2.322 466 G HA2 0.514 4.475 3.960 0.001 0.000 0.295 466 G HA3 0.514 4.475 3.960 0.001 0.000 0.295 466 G C -3.512 171.482 174.900 0.157 0.000 1.369 466 G CA -0.964 44.212 45.100 0.128 0.000 0.821 466 G HN 0.041 nan 8.290 nan 0.000 0.536 467 P HA 0.460 nan 4.420 nan 0.000 0.281 467 P C 0.223 177.539 177.300 0.027 0.000 1.249 467 P CA -0.374 62.736 63.100 0.018 0.000 0.810 467 P CB 1.947 33.648 31.700 0.002 0.000 1.008 468 V N 2.365 122.272 119.914 -0.011 0.000 2.963 468 V HA 0.024 4.145 4.120 0.001 0.000 0.306 468 V C 0.848 176.948 176.094 0.010 0.000 1.077 468 V CA -0.243 62.065 62.300 0.014 0.000 1.124 468 V CB 0.026 31.851 31.823 0.004 0.000 0.987 468 V HN 0.570 nan 8.190 nan 0.000 0.487 469 K N 4.065 124.476 120.400 0.018 0.000 2.447 469 K HA 0.353 4.674 4.320 0.001 0.000 0.281 469 K C 0.155 176.771 176.600 0.027 0.000 1.031 469 K CA 0.539 56.842 56.287 0.026 0.000 1.019 469 K CB 0.185 32.708 32.500 0.038 0.000 0.918 469 K HN 0.900 nan 8.250 nan 0.000 0.476 470 G N 2.098 110.912 108.800 0.022 0.000 2.461 470 G HA2 0.154 4.114 3.960 0.001 0.000 0.329 470 G HA3 0.154 4.114 3.960 0.001 0.000 0.329 470 G C 0.560 175.428 174.900 -0.054 0.000 1.170 470 G CA -0.625 44.484 45.100 0.016 0.000 0.935 470 G HN 0.683 nan 8.290 nan 0.000 0.492 471 T N -0.080 114.390 114.554 -0.140 0.000 2.674 471 T HA -0.132 4.218 4.350 0.001 0.000 0.265 471 T C 1.487 175.797 174.700 -0.650 0.000 1.039 471 T CA 1.831 63.637 62.100 -0.491 0.000 1.150 471 T CB -0.126 68.329 68.868 -0.688 0.000 0.864 471 T HN 0.678 nan 8.240 nan 0.000 0.427 472 W N 1.364 122.700 121.300 0.059 0.000 2.968 472 W HA 0.318 4.979 4.660 0.001 0.000 0.253 472 W C 0.733 177.286 176.519 0.057 0.000 1.150 472 W CA -0.582 56.800 57.345 0.062 0.000 1.463 472 W CB 0.712 30.217 29.460 0.076 0.000 0.906 472 W HN 0.205 nan 8.180 nan 0.000 0.650 473 E N 0.700 121.041 120.200 0.236 0.000 2.356 473 E HA 0.260 4.610 4.350 0.001 0.000 0.275 473 E C -0.600 176.056 176.600 0.094 0.000 0.904 473 E CA -0.940 55.550 56.400 0.149 0.000 0.757 473 E CB 0.822 30.608 29.700 0.143 0.000 1.232 473 E HN -0.245 nan 8.360 nan 0.000 0.442 474 N N 0.821 119.562 118.700 0.068 0.000 2.356 474 N HA 0.073 4.814 4.740 0.001 0.000 0.252 474 N C 0.956 176.482 175.510 0.027 0.000 1.241 474 N CA 2.101 55.177 53.050 0.044 0.000 0.861 474 N CB 0.833 39.346 38.487 0.042 0.000 1.075 474 N HN 0.952 nan 8.380 nan 0.000 0.461 475 G N 1.116 109.915 108.800 -0.002 0.000 2.176 475 G HA2 -0.261 3.700 3.960 0.001 0.000 0.253 475 G HA3 -0.261 3.700 3.960 0.001 0.000 0.253 475 G C -0.053 174.828 174.900 -0.031 0.000 0.979 475 G CA -0.011 45.051 45.100 -0.062 0.000 0.641 475 G HN 0.558 nan 8.290 nan 0.000 0.530 476 I N 0.035 120.630 120.570 0.042 0.000 2.569 476 I HA 0.594 4.765 4.170 0.001 0.000 0.290 476 I C -0.407 175.787 176.117 0.128 0.000 1.088 476 I CA -1.185 60.185 61.300 0.117 0.000 1.047 476 I CB 2.561 40.633 38.000 0.121 0.000 1.237 476 I HN -0.071 nan 8.210 nan 0.000 0.421 477 V N 3.859 123.876 119.914 0.171 0.000 2.588 477 V HA 0.341 4.461 4.120 0.001 0.000 0.304 477 V C -0.671 175.521 176.094 0.162 0.000 1.042 477 V CA -0.869 61.506 62.300 0.126 0.000 0.877 477 V CB 1.919 33.824 31.823 0.137 0.000 0.996 477 V HN 0.585 nan 8.190 nan 0.000 0.425 478 D N 1.885 122.353 120.400 0.112 0.000 2.525 478 D HA -0.042 4.598 4.640 0.001 0.000 0.235 478 D C 0.692 177.029 176.300 0.061 0.000 1.137 478 D CA 0.375 54.460 54.000 0.141 0.000 0.868 478 D CB 0.518 41.385 40.800 0.112 0.000 1.180 478 D HN 0.659 nan 8.370 nan 0.000 0.465 479 Y N 3.661 123.979 120.300 0.030 0.000 2.151 479 Y HA -0.290 4.260 4.550 0.001 0.000 0.284 479 Y C 2.361 178.205 175.900 -0.093 0.000 1.166 479 Y CA 2.029 60.106 58.100 -0.038 0.000 1.163 479 Y CB 0.026 38.496 38.460 0.017 0.000 0.974 479 Y HN 0.424 nan 8.280 nan 0.000 0.511 480 R N -0.160 120.257 120.500 -0.138 0.000 2.134 480 R HA -0.262 4.079 4.340 0.001 0.000 0.248 480 R C 2.087 178.166 176.300 -0.368 0.000 1.143 480 R CA 2.278 58.246 56.100 -0.220 0.000 0.957 480 R CB -0.189 30.080 30.300 -0.052 0.000 0.867 480 R HN 0.418 nan 8.270 nan 0.000 0.441 481 Q N 0.189 119.780 119.800 -0.347 0.000 2.123 481 Q HA -0.065 4.275 4.340 0.001 0.000 0.199 481 Q C 2.262 177.813 176.000 -0.750 0.000 0.966 481 Q CA 1.165 56.672 55.803 -0.493 0.000 0.845 481 Q CB -0.158 28.330 28.738 -0.417 0.000 0.907 481 Q HN 0.490 nan 8.270 nan 0.000 0.439 482 I N 0.857 121.060 120.570 -0.611 0.000 2.163 482 I HA -0.299 3.871 4.170 0.001 0.000 0.243 482 I C 2.335 178.038 176.117 -0.690 0.000 1.085 482 I CA 1.375 62.304 61.300 -0.618 0.000 1.347 482 I CB -0.510 37.068 38.000 -0.703 0.000 1.044 482 I HN 0.077 nan 8.210 nan 0.000 0.408 483 A N 0.568 122.924 122.820 -0.774 0.000 1.898 483 A HA -0.197 4.123 4.320 0.001 0.000 0.216 483 A C 2.481 179.816 177.584 -0.416 0.000 1.181 483 A CA 2.155 53.845 52.037 -0.579 0.000 0.620 483 A CB -0.719 17.887 19.000 -0.657 0.000 0.819 483 A HN 0.530 nan 8.150 nan 0.000 0.442 484 S N -1.598 113.837 115.700 -0.441 0.000 2.446 484 S HA -0.015 4.456 4.470 0.001 0.000 0.225 484 S C 1.743 176.104 174.600 -0.399 0.000 1.016 484 S CA 1.043 59.038 58.200 -0.341 0.000 0.943 484 S CB -0.107 62.929 63.200 -0.273 0.000 0.786 484 S HN 0.638 nan 8.310 nan 0.000 0.508 485 Q N -1.046 118.360 119.800 -0.657 0.000 2.353 485 Q HA 0.325 4.666 4.340 0.001 0.000 0.240 485 Q C -0.222 175.346 176.000 -0.721 0.000 0.868 485 Q CA 0.254 55.595 55.803 -0.770 0.000 0.944 485 Q CB 0.464 28.500 28.738 -1.169 0.000 1.104 485 Q HN 0.631 nan 8.270 nan 0.000 0.531 486 F N -0.510 119.099 119.950 -0.568 0.000 2.791 486 F HA 0.346 4.874 4.527 0.001 0.000 0.308 486 F C 0.442 175.863 175.800 -0.632 0.000 1.138 486 F CA -0.049 57.302 58.000 -1.081 0.000 1.294 486 F CB 0.671 38.703 39.000 -1.612 0.000 0.975 486 F HN -0.048 nan 8.300 nan 0.000 0.512 487 M N 0.832 120.326 119.600 -0.176 0.000 2.963 487 M HA 0.303 4.784 4.480 0.001 0.000 0.350 487 M C -0.085 176.243 176.300 0.047 0.000 1.253 487 M CA 0.184 55.470 55.300 -0.023 0.000 0.856 487 M CB -0.142 32.405 32.600 -0.089 0.000 1.356 487 M HN 0.180 nan 8.290 nan 0.000 0.510 488 S N -2.382 113.405 115.700 0.145 0.000 2.661 488 S HA 0.869 5.339 4.470 0.001 0.000 0.268 488 S C 0.321 175.078 174.600 0.262 0.000 1.162 488 S CA -0.060 58.233 58.200 0.155 0.000 0.817 488 S CB 1.505 64.753 63.200 0.081 0.000 1.141 488 S HN 0.612 nan 8.310 nan 0.000 0.477 489 G N 1.495 110.395 108.800 0.167 0.000 2.622 489 G HA2 -0.356 3.605 3.960 0.001 0.000 0.307 489 G HA3 -0.356 3.605 3.960 0.001 0.000 0.307 489 G C 0.574 175.537 174.900 0.105 0.000 1.226 489 G CA 0.784 45.963 45.100 0.133 0.000 0.997 489 G HN 1.116 nan 8.290 nan 0.000 0.551 490 E N 0.091 120.306 120.200 0.025 0.000 2.481 490 E HA 0.028 4.379 4.350 0.001 0.000 0.195 490 E C 0.235 176.777 176.600 -0.097 0.000 1.047 490 E CA -0.347 55.997 56.400 -0.093 0.000 0.867 490 E CB 0.061 29.625 29.700 -0.226 0.000 0.858 490 E HN 0.423 nan 8.360 nan 0.000 0.513 491 W N 2.950 124.259 121.300 0.016 0.000 2.565 491 W HA 0.027 4.688 4.660 0.001 0.000 0.325 491 W C 0.299 176.873 176.519 0.091 0.000 1.408 491 W CA -0.239 57.134 57.345 0.047 0.000 1.350 491 W CB 0.199 29.725 29.460 0.109 0.000 1.426 491 W HN 0.005 nan 8.180 nan 0.000 0.538 492 Q N 2.826 122.796 119.800 0.283 0.000 2.373 492 Q HA 0.140 4.480 4.340 0.001 0.000 0.255 492 Q C -0.890 175.320 176.000 0.349 0.000 0.980 492 Q CA -0.329 55.634 55.803 0.267 0.000 0.882 492 Q CB 0.935 29.802 28.738 0.216 0.000 1.249 492 Q HN 0.558 nan 8.270 nan 0.000 0.438 493 Y N 0.409 120.803 120.300 0.156 0.000 2.446 493 Y HA 0.443 4.994 4.550 0.001 0.000 0.345 493 Y C -1.152 174.739 175.900 -0.015 0.000 0.984 493 Y CA -0.400 57.771 58.100 0.119 0.000 1.058 493 Y CB 2.072 40.628 38.460 0.160 0.000 1.220 493 Y HN 0.559 nan 8.280 nan 0.000 0.455 494 T N 5.691 119.670 114.554 -0.958 0.000 2.971 494 T HA 0.193 4.544 4.350 0.001 0.000 0.304 494 T C -2.070 172.071 174.700 -0.932 0.000 1.038 494 T CA -0.540 61.079 62.100 -0.803 0.000 1.007 494 T CB 0.808 69.149 68.868 -0.879 0.000 1.055 494 T HN 0.543 nan 8.240 nan 0.000 0.451 495 Y N 3.011 123.037 120.300 -0.457 0.000 2.385 495 Y HA 0.367 4.918 4.550 0.001 0.000 0.341 495 Y C -0.003 175.868 175.900 -0.048 0.000 0.965 495 Y CA -0.922 57.052 58.100 -0.211 0.000 1.180 495 Y CB 0.645 39.125 38.460 0.033 0.000 1.139 495 Y HN 0.555 nan 8.280 nan 0.000 0.502 496 D N 4.968 125.127 120.400 -0.402 0.000 2.344 496 D HA 0.151 4.791 4.640 0.001 0.000 0.253 496 D C 0.501 176.600 176.300 -0.336 0.000 1.255 496 D CA 0.384 54.279 54.000 -0.175 0.000 0.894 496 D CB 1.408 42.218 40.800 0.017 0.000 1.067 496 D HN 0.768 nan 8.370 nan 0.000 0.492 497 A N 3.235 126.069 122.820 0.024 0.000 2.123 497 A HA -0.018 4.303 4.320 0.001 0.000 0.214 497 A C 1.969 179.577 177.584 0.040 0.000 1.152 497 A CA 0.669 52.808 52.037 0.169 0.000 0.728 497 A CB 0.057 19.202 19.000 0.241 0.000 0.814 497 A HN 0.579 nan 8.150 nan 0.000 0.464 498 T N 0.063 114.600 114.554 -0.027 0.000 2.770 498 T HA 0.076 4.426 4.350 0.001 0.000 0.258 498 T C 2.267 176.885 174.700 -0.136 0.000 1.039 498 T CA 1.386 63.447 62.100 -0.065 0.000 1.143 498 T CB -0.295 68.530 68.868 -0.072 0.000 0.866 498 T HN 0.509 nan 8.240 nan 0.000 0.428 499 A N 0.742 123.432 122.820 -0.217 0.000 1.968 499 A HA 0.032 4.352 4.320 0.001 0.000 0.217 499 A C 0.540 177.943 177.584 -0.302 0.000 1.169 499 A CA 0.658 52.519 52.037 -0.294 0.000 0.638 499 A CB -0.104 18.649 19.000 -0.413 0.000 0.812 499 A HN 0.475 nan 8.150 nan 0.000 0.446 500 E N -1.809 118.201 120.200 -0.316 0.000 2.484 500 E HA -0.134 4.217 4.350 0.001 0.000 0.181 500 E C -0.299 176.017 176.600 -0.473 0.000 1.458 500 E CA 0.868 57.114 56.400 -0.257 0.000 0.667 500 E CB -2.218 27.457 29.700 -0.041 0.000 1.125 500 E HN 1.372 nan 8.360 nan 0.000 0.384 501 A N 1.572 123.822 122.820 -0.952 0.000 2.511 501 A HA 0.611 4.931 4.320 0.001 0.000 0.292 501 A C -2.814 174.268 177.584 -0.835 0.000 1.045 501 A CA -1.068 50.467 52.037 -0.837 0.000 0.870 501 A CB 1.842 20.139 19.000 -1.171 0.000 1.361 501 A HN 0.024 nan 8.150 nan 0.000 0.396 502 P HA 0.689 nan 4.420 nan 0.000 0.282 502 P C -1.446 175.639 177.300 -0.358 0.000 1.259 502 P CA -0.156 62.628 63.100 -0.526 0.000 0.826 502 P CB 0.875 32.310 31.700 -0.441 0.000 1.064 503 Y N -0.818 119.325 120.300 -0.261 0.000 2.552 503 Y HA 0.629 5.179 4.550 0.001 0.000 0.337 503 Y C -1.155 174.946 175.900 0.336 0.000 1.094 503 Y CA -1.699 56.521 58.100 0.201 0.000 1.028 503 Y CB 0.658 39.362 38.460 0.407 0.000 1.321 503 Y HN 0.340 nan 8.280 nan 0.000 0.456 504 V N 0.508 120.830 119.914 0.680 0.000 2.815 504 V HA 0.852 4.973 4.120 0.001 0.000 0.314 504 V C -1.554 174.987 176.094 0.745 0.000 1.064 504 V CA -0.938 61.722 62.300 0.601 0.000 0.952 504 V CB 2.087 34.219 31.823 0.515 0.000 1.020 504 V HN 0.946 nan 8.190 nan 0.000 0.439 505 F N 2.361 122.599 119.950 0.480 0.000 2.588 505 F HA 0.628 5.155 4.527 0.001 0.000 0.314 505 F C -0.660 175.107 175.800 -0.055 0.000 1.134 505 F CA -1.104 57.021 58.000 0.207 0.000 0.961 505 F CB 2.116 41.155 39.000 0.065 0.000 1.239 505 F HN 0.763 nan 8.300 nan 0.000 0.448 506 K N 8.131 127.906 120.400 -1.041 0.000 2.473 506 K HA 0.443 4.763 4.320 0.001 0.000 0.246 506 K C -2.337 173.495 176.600 -1.280 0.000 1.011 506 K CA -1.892 53.656 56.287 -1.232 0.000 0.984 506 K CB 1.614 33.097 32.500 -1.696 0.000 1.250 506 K HN 0.255 nan 8.250 nan 0.000 0.454 507 P HA -0.181 nan 4.420 nan 0.000 0.220 507 P C 1.121 178.174 177.300 -0.412 0.000 1.148 507 P CA 1.071 63.669 63.100 -0.837 0.000 0.803 507 P CB 0.249 31.747 31.700 -0.336 0.000 0.782 508 S N -0.781 114.695 115.700 -0.373 0.000 2.368 508 S HA -0.131 4.340 4.470 0.001 0.000 0.224 508 S C 1.804 176.279 174.600 -0.208 0.000 1.029 508 S CA 2.001 60.061 58.200 -0.233 0.000 0.988 508 S CB -1.984 61.091 63.200 -0.208 0.000 0.838 508 S HN 0.294 nan 8.310 nan 0.000 0.462 509 T N -3.078 111.307 114.554 -0.281 0.000 3.060 509 T HA 0.505 4.856 4.350 0.001 0.000 0.249 509 T C 1.536 176.144 174.700 -0.153 0.000 1.079 509 T CA 0.454 62.437 62.100 -0.195 0.000 1.013 509 T CB -0.199 68.543 68.868 -0.210 0.000 0.975 509 T HN 1.187 nan 8.240 nan 0.000 0.518 510 G N 2.203 110.871 108.800 -0.220 0.000 2.203 510 G HA2 -0.219 3.742 3.960 0.001 0.000 0.263 510 G HA3 -0.219 3.742 3.960 0.001 0.000 0.263 510 G C -0.439 174.507 174.900 0.076 0.000 1.012 510 G CA 0.047 45.135 45.100 -0.020 0.000 0.749 510 G HN 0.585 nan 8.290 nan 0.000 0.512 511 D N -0.124 120.199 120.400 -0.128 0.000 2.358 511 D HA 0.382 5.022 4.640 0.001 0.000 0.258 511 D C 0.338 176.807 176.300 0.282 0.000 1.223 511 D CA 0.217 54.233 54.000 0.025 0.000 0.886 511 D CB 1.538 42.273 40.800 -0.108 0.000 1.120 511 D HN 0.288 nan 8.370 nan 0.000 0.482 512 L N 4.210 125.678 121.223 0.408 0.000 2.356 512 L HA 0.502 4.843 4.340 0.001 0.000 0.277 512 L C -1.222 175.916 176.870 0.445 0.000 0.996 512 L CA -0.493 54.622 54.840 0.459 0.000 0.822 512 L CB 1.273 43.429 42.059 0.162 0.000 1.256 512 L HN 0.258 nan 8.230 nan 0.000 0.413 513 I N 3.784 124.633 120.570 0.465 0.000 2.436 513 I HA 0.378 4.548 4.170 0.001 0.000 0.289 513 I C -0.291 176.202 176.117 0.627 0.000 1.010 513 I CA -0.545 60.998 61.300 0.406 0.000 1.098 513 I CB 2.174 40.316 38.000 0.236 0.000 1.266 513 I HN 0.604 nan 8.210 nan 0.000 0.434 514 T N 6.543 121.428 114.554 0.552 0.000 2.797 514 T HA 0.776 5.127 4.350 0.001 0.000 0.279 514 T C -0.798 174.189 174.700 0.478 0.000 0.991 514 T CA -0.280 62.162 62.100 0.570 0.000 0.979 514 T CB 0.567 69.787 68.868 0.586 0.000 0.943 514 T HN 0.446 nan 8.240 nan 0.000 0.444 515 F N 1.185 121.256 119.950 0.201 0.000 2.831 515 F HA 0.748 5.276 4.527 0.001 0.000 0.318 515 F C -1.294 174.550 175.800 0.073 0.000 1.174 515 F CA -1.427 56.634 58.000 0.101 0.000 0.918 515 F CB 0.480 39.587 39.000 0.177 0.000 1.364 515 F HN 0.273 nan 8.300 nan 0.000 0.475 516 D N 0.942 121.401 120.400 0.098 0.000 2.163 516 D HA 0.409 5.050 4.640 0.001 0.000 0.248 516 D C -1.098 175.275 176.300 0.122 0.000 1.035 516 D CA 0.242 54.234 54.000 -0.013 0.000 0.872 516 D CB 1.743 42.505 40.800 -0.064 0.000 1.183 516 D HN 0.720 nan 8.370 nan 0.000 0.445 517 D N -0.769 119.680 120.400 0.082 0.000 2.714 517 D HA 0.419 5.059 4.640 0.001 0.000 0.278 517 D C 0.711 177.036 176.300 0.042 0.000 1.102 517 D CA -0.704 53.389 54.000 0.155 0.000 1.108 517 D CB 0.385 41.460 40.800 0.460 0.000 1.444 517 D HN 0.198 nan 8.370 nan 0.000 0.568 518 A N -0.087 122.755 122.820 0.036 0.000 1.958 518 A HA -0.255 4.066 4.320 0.001 0.000 0.221 518 A C 2.169 179.757 177.584 0.006 0.000 1.178 518 A CA 2.340 54.380 52.037 0.004 0.000 0.642 518 A CB -0.804 18.210 19.000 0.024 0.000 0.816 518 A HN 0.606 nan 8.150 nan 0.000 0.453 519 R N -0.120 120.390 120.500 0.017 0.000 2.073 519 R HA -0.099 4.241 4.340 0.001 0.000 0.229 519 R C 2.514 178.850 176.300 0.061 0.000 1.120 519 R CA 1.712 57.771 56.100 -0.069 0.000 0.967 519 R CB -0.242 29.834 30.300 -0.373 0.000 0.862 519 R HN 0.677 nan 8.270 nan 0.000 0.436 520 S N -0.401 115.439 115.700 0.233 0.000 2.383 520 S HA -0.071 4.399 4.470 0.001 0.000 0.227 520 S C 2.023 176.667 174.600 0.074 0.000 1.026 520 S CA 1.125 59.448 58.200 0.205 0.000 0.981 520 S CB -0.394 62.863 63.200 0.095 0.000 0.818 520 S HN 0.126 nan 8.310 nan 0.000 0.472 521 V N 2.499 122.433 119.914 0.033 0.000 2.343 521 V HA -0.224 3.897 4.120 0.001 0.000 0.247 521 V C 2.967 179.070 176.094 0.015 0.000 1.051 521 V CA 2.215 64.517 62.300 0.002 0.000 1.036 521 V CB -1.036 30.765 31.823 -0.038 0.000 0.654 521 V HN 0.624 nan 8.190 nan 0.000 0.451 522 Q N 0.047 119.855 119.800 0.013 0.000 2.096 522 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 522 Q C 2.226 178.250 176.000 0.040 0.000 0.982 522 Q CA 2.123 57.935 55.803 0.015 0.000 0.850 522 Q CB -0.274 28.463 28.738 -0.002 0.000 0.901 522 Q HN 0.630 nan 8.270 nan 0.000 0.422 523 A N 1.068 123.921 122.820 0.055 0.000 1.902 523 A HA -0.200 4.121 4.320 0.001 0.000 0.217 523 A C 1.975 179.615 177.584 0.093 0.000 1.181 523 A CA 1.645 53.726 52.037 0.073 0.000 0.623 523 A CB -0.402 18.650 19.000 0.087 0.000 0.818 523 A HN 0.369 nan 8.150 nan 0.000 0.443 524 K N -0.776 119.670 120.400 0.077 0.000 2.044 524 K HA -0.148 4.172 4.320 0.001 0.000 0.210 524 K C 2.127 178.825 176.600 0.163 0.000 1.049 524 K CA 1.327 57.685 56.287 0.119 0.000 0.927 524 K CB -0.516 32.029 32.500 0.076 0.000 0.713 524 K HN 0.480 nan 8.250 nan 0.000 0.443 525 G N 1.735 110.593 108.800 0.097 0.000 2.402 525 G HA2 -0.291 3.669 3.960 0.001 0.000 0.216 525 G HA3 -0.291 3.669 3.960 0.001 0.000 0.216 525 G C 1.417 176.367 174.900 0.083 0.000 1.162 525 G CA 0.831 45.977 45.100 0.077 0.000 0.777 525 G HN 0.250 nan 8.290 nan 0.000 0.539 526 K N -0.545 119.908 120.400 0.088 0.000 2.063 526 K HA -0.221 4.099 4.320 0.001 0.000 0.208 526 K C 2.186 178.857 176.600 0.119 0.000 1.048 526 K CA 1.550 57.889 56.287 0.086 0.000 0.928 526 K CB -0.418 32.130 32.500 0.081 0.000 0.713 526 K HN 0.362 nan 8.250 nan 0.000 0.442 527 Y N 1.227 121.541 120.300 0.023 0.000 2.181 527 Y HA -0.232 4.319 4.550 0.001 0.000 0.288 527 Y C 1.898 177.814 175.900 0.027 0.000 1.146 527 Y CA 1.510 59.624 58.100 0.024 0.000 1.164 527 Y CB -0.381 38.095 38.460 0.026 0.000 0.982 527 Y HN -0.137 nan 8.280 nan 0.000 0.515 528 V N 0.805 120.732 119.914 0.023 0.000 2.255 528 V HA -0.365 3.756 4.120 0.001 0.000 0.247 528 V C 2.522 178.563 176.094 -0.088 0.000 1.051 528 V CA 2.260 64.520 62.300 -0.067 0.000 1.018 528 V CB -0.858 30.995 31.823 0.049 0.000 0.641 528 V HN 0.485 nan 8.190 nan 0.000 0.445 529 L N -0.066 121.141 121.223 -0.027 0.000 2.042 529 L HA -0.222 4.118 4.340 0.001 0.000 0.210 529 L C 2.379 179.219 176.870 -0.049 0.000 1.076 529 L CA 2.214 57.040 54.840 -0.023 0.000 0.749 529 L CB -0.774 41.288 42.059 0.005 0.000 0.893 529 L HN 0.410 nan 8.230 nan 0.000 0.432 530 D N -0.038 120.326 120.400 -0.060 0.000 2.219 530 D HA -0.146 4.494 4.640 0.001 0.000 0.205 530 D C 1.766 177.995 176.300 -0.119 0.000 0.970 530 D CA 0.990 54.952 54.000 -0.062 0.000 0.851 530 D CB 0.257 41.044 40.800 -0.021 0.000 0.943 530 D HN 0.014 nan 8.370 nan 0.000 0.488 531 K N 0.171 120.432 120.400 -0.230 0.000 2.372 531 K HA 0.131 4.451 4.320 0.001 0.000 0.200 531 K C 0.107 176.611 176.600 -0.159 0.000 1.022 531 K CA -0.003 56.138 56.287 -0.245 0.000 1.125 531 K CB 0.380 32.594 32.500 -0.475 0.000 0.855 531 K HN 0.265 nan 8.250 nan 0.000 0.524 532 Q N 0.887 120.619 119.800 -0.113 0.000 2.475 532 Q HA -0.190 4.150 4.340 0.001 0.000 0.280 532 Q C -0.223 175.742 176.000 -0.058 0.000 1.234 532 Q CA 0.362 56.127 55.803 -0.064 0.000 0.873 532 Q CB -2.048 26.665 28.738 -0.042 0.000 1.256 532 Q HN 0.315 nan 8.270 nan 0.000 0.475 533 L N -1.536 119.638 121.223 -0.081 0.000 2.470 533 L HA 0.208 4.548 4.340 0.001 0.000 0.243 533 L C 1.846 178.719 176.870 0.004 0.000 1.227 533 L CA 0.628 55.442 54.840 -0.044 0.000 0.824 533 L CB 0.000 42.026 42.059 -0.056 0.000 1.175 533 L HN 0.312 nan 8.230 nan 0.000 0.503 534 G N -1.512 107.308 108.800 0.032 0.000 2.551 534 G HA2 0.417 4.377 3.960 0.001 0.000 0.216 534 G HA3 0.417 4.377 3.960 0.001 0.000 0.216 534 G C 0.501 175.434 174.900 0.055 0.000 1.137 534 G CA 0.695 45.827 45.100 0.054 0.000 0.798 534 G HN 0.966 nan 8.290 nan 0.000 0.536 535 G N -1.171 107.673 108.800 0.073 0.000 2.332 535 G HA2 0.259 4.220 3.960 0.001 0.000 0.265 535 G HA3 0.259 4.220 3.960 0.001 0.000 0.265 535 G C -1.646 173.341 174.900 0.145 0.000 1.329 535 G CA -0.824 44.328 45.100 0.087 0.000 0.949 535 G HN 0.407 nan 8.290 nan 0.000 0.476 536 L N 0.101 121.419 121.223 0.158 0.000 2.354 536 L HA 0.907 5.248 4.340 0.001 0.000 0.264 536 L C -0.407 176.637 176.870 0.290 0.000 1.008 536 L CA -0.996 53.960 54.840 0.194 0.000 0.819 536 L CB 2.172 44.285 42.059 0.090 0.000 1.339 536 L HN 0.877 nan 8.230 nan 0.000 0.420 537 F N -0.298 119.757 119.950 0.176 0.000 2.664 537 F HA 0.904 5.432 4.527 0.001 0.000 0.317 537 F C -0.793 175.129 175.800 0.202 0.000 1.108 537 F CA -0.841 57.246 58.000 0.145 0.000 0.957 537 F CB 1.792 40.847 39.000 0.091 0.000 1.365 537 F HN 0.414 nan 8.300 nan 0.000 0.475 538 S N 0.820 116.526 115.700 0.011 0.000 2.556 538 S HA 0.559 5.029 4.470 0.001 0.000 0.271 538 S C -2.192 172.558 174.600 0.250 0.000 1.135 538 S CA -0.627 57.549 58.200 -0.041 0.000 0.858 538 S CB 2.086 65.267 63.200 -0.031 0.000 1.114 538 S HN 1.194 nan 8.310 nan 0.000 0.468 539 W N 3.159 124.420 121.300 -0.065 0.000 2.600 539 W HA 0.532 5.193 4.660 0.001 0.000 0.325 539 W C -1.256 175.258 176.519 -0.009 0.000 1.034 539 W CA -0.510 56.816 57.345 -0.032 0.000 1.226 539 W CB 1.751 31.088 29.460 -0.205 0.000 1.379 539 W HN 1.073 nan 8.180 nan 0.000 0.466 540 E N 4.018 123.929 120.200 -0.482 0.000 2.312 540 E HA 0.288 4.638 4.350 0.001 0.000 0.267 540 E C 0.124 176.417 176.600 -0.511 0.000 0.894 540 E CA -0.862 55.015 56.400 -0.871 0.000 0.773 540 E CB 2.506 31.230 29.700 -1.626 0.000 1.241 540 E HN 0.238 nan 8.360 nan 0.000 0.432 541 I N 2.034 122.327 120.570 -0.460 0.000 2.361 541 I HA -0.244 3.927 4.170 0.001 0.000 0.251 541 I C 1.698 177.400 176.117 -0.692 0.000 1.133 541 I CA 1.735 62.821 61.300 -0.357 0.000 1.413 541 I CB -0.524 37.389 38.000 -0.145 0.000 1.073 541 I HN 0.759 nan 8.210 nan 0.000 0.424 542 D N 0.360 120.099 120.400 -1.101 0.000 2.263 542 D HA -0.155 4.485 4.640 0.001 0.000 0.208 542 D C 1.748 177.674 176.300 -0.624 0.000 0.971 542 D CA 1.149 54.206 54.000 -1.572 0.000 0.867 542 D CB -0.211 39.886 40.800 -1.172 0.000 0.929 542 D HN 0.445 nan 8.370 nan 0.000 0.492 543 A N 0.328 122.940 122.820 -0.346 0.000 2.218 543 A HA 0.018 4.339 4.320 0.001 0.000 0.209 543 A C 0.777 178.385 177.584 0.041 0.000 1.168 543 A CA 0.017 52.017 52.037 -0.062 0.000 0.804 543 A CB -0.054 18.970 19.000 0.040 0.000 0.834 543 A HN 0.107 nan 8.150 nan 0.000 0.482 544 D N 0.019 120.417 120.400 -0.004 0.000 2.264 544 D HA 0.190 4.831 4.640 0.001 0.000 0.249 544 D C 0.721 177.112 176.300 0.151 0.000 1.070 544 D CA -0.137 53.931 54.000 0.114 0.000 0.912 544 D CB 0.705 41.520 40.800 0.026 0.000 1.193 544 D HN 0.255 nan 8.370 nan 0.000 0.427 545 N N 1.807 120.648 118.700 0.234 0.000 2.280 545 N HA 0.173 4.913 4.740 0.001 0.000 0.192 545 N C 1.168 176.765 175.510 0.145 0.000 1.109 545 N CA 0.542 53.689 53.050 0.161 0.000 0.855 545 N CB 0.853 39.412 38.487 0.119 0.000 0.974 545 N HN 0.555 nan 8.380 nan 0.000 0.482 546 G N 0.048 108.931 108.800 0.138 0.000 2.352 546 G HA2 -0.261 3.700 3.960 0.001 0.000 0.204 546 G HA3 -0.261 3.700 3.960 0.001 0.000 0.204 546 G C 0.626 175.576 174.900 0.083 0.000 1.004 546 G CA 0.232 45.395 45.100 0.105 0.000 0.648 546 G HN 0.264 nan 8.290 nan 0.000 0.491 547 D N 0.880 121.345 120.400 0.108 0.000 2.123 547 D HA -0.059 4.581 4.640 0.001 0.000 0.196 547 D C 2.580 178.841 176.300 -0.064 0.000 0.992 547 D CA 1.223 55.260 54.000 0.061 0.000 0.833 547 D CB -0.042 40.851 40.800 0.156 0.000 0.954 547 D HN 0.397 nan 8.370 nan 0.000 0.455 548 I N 0.328 120.796 120.570 -0.170 0.000 2.193 548 I HA -0.155 4.016 4.170 0.001 0.000 0.240 548 I C 2.408 178.457 176.117 -0.114 0.000 1.084 548 I CA 0.562 61.733 61.300 -0.215 0.000 1.365 548 I CB -1.041 36.788 38.000 -0.285 0.000 1.064 548 I HN 0.054 nan 8.210 nan 0.000 0.410 549 L N 1.502 122.683 121.223 -0.071 0.000 2.093 549 L HA -0.116 4.224 4.340 0.001 0.000 0.208 549 L C 2.097 178.907 176.870 -0.101 0.000 1.085 549 L CA 1.671 56.474 54.840 -0.061 0.000 0.755 549 L CB -0.896 41.153 42.059 -0.017 0.000 0.904 549 L HN 0.174 nan 8.230 nan 0.000 0.435 550 N N -0.748 117.926 118.700 -0.044 0.000 2.069 550 N HA -0.206 4.534 4.740 0.001 0.000 0.191 550 N C 2.069 177.467 175.510 -0.187 0.000 1.031 550 N CA 1.608 54.631 53.050 -0.044 0.000 0.852 550 N CB -0.608 37.964 38.487 0.141 0.000 1.018 550 N HN 0.421 nan 8.380 nan 0.000 0.423 551 S N 0.354 115.996 115.700 -0.098 0.000 2.383 551 S HA 0.005 4.475 4.470 0.001 0.000 0.227 551 S C 1.966 176.491 174.600 -0.125 0.000 1.026 551 S CA 0.764 58.910 58.200 -0.090 0.000 0.981 551 S CB -0.069 63.098 63.200 -0.055 0.000 0.818 551 S HN 0.196 nan 8.310 nan 0.000 0.472 552 M N 1.407 120.928 119.600 -0.132 0.000 2.080 552 M HA -0.135 4.345 4.480 0.001 0.000 0.260 552 M C 2.198 178.396 176.300 -0.169 0.000 1.068 552 M CA 1.578 56.812 55.300 -0.111 0.000 1.109 552 M CB -0.587 31.965 32.600 -0.081 0.000 1.342 552 M HN 0.343 nan 8.290 nan 0.000 0.405 553 N N 0.345 118.847 118.700 -0.331 0.000 2.084 553 N HA -0.104 4.636 4.740 0.001 0.000 0.190 553 N C 1.764 177.020 175.510 -0.424 0.000 1.030 553 N CA 1.769 54.523 53.050 -0.494 0.000 0.849 553 N CB -0.188 37.680 38.487 -1.032 0.000 1.012 553 N HN 0.334 nan 8.380 nan 0.000 0.423 554 A N 1.098 123.654 122.820 -0.439 0.000 1.873 554 A HA -0.133 4.188 4.320 0.001 0.000 0.215 554 A C 2.374 179.939 177.584 -0.031 0.000 1.186 554 A CA 2.093 54.072 52.037 -0.097 0.000 0.616 554 A CB -0.825 18.197 19.000 0.037 0.000 0.823 554 A HN 0.468 nan 8.150 nan 0.000 0.442 555 S N -0.494 115.177 115.700 -0.048 0.000 2.474 555 S HA 0.035 4.505 4.470 0.001 0.000 0.235 555 S C 1.442 176.043 174.600 0.002 0.000 0.997 555 S CA 1.233 59.428 58.200 -0.009 0.000 0.949 555 S CB -0.441 62.756 63.200 -0.006 0.000 0.766 555 S HN 0.418 nan 8.310 nan 0.000 0.517 556 L N 0.643 121.858 121.223 -0.014 0.000 2.607 556 L HA 0.366 4.707 4.340 0.001 0.000 0.228 556 L C 1.664 178.545 176.870 0.017 0.000 1.123 556 L CA 0.310 55.154 54.840 0.007 0.000 0.890 556 L CB -0.212 41.850 42.059 0.005 0.000 1.103 556 L HN 0.577 nan 8.230 nan 0.000 0.468 557 G N 0.017 108.830 108.800 0.021 0.000 2.132 557 G HA2 -0.246 3.715 3.960 0.001 0.000 0.234 557 G HA3 -0.246 3.715 3.960 0.001 0.000 0.234 557 G C 0.005 174.946 174.900 0.068 0.000 0.989 557 G CA -0.346 44.781 45.100 0.045 0.000 0.676 557 G HN 0.318 nan 8.290 nan 0.000 0.522 558 N N 1.091 119.834 118.700 0.071 0.000 2.492 558 N HA 0.396 5.136 4.740 0.001 0.000 0.262 558 N C 0.645 176.298 175.510 0.238 0.000 1.202 558 N CA 0.477 53.607 53.050 0.133 0.000 0.926 558 N CB 0.990 39.551 38.487 0.124 0.000 1.078 558 N HN 0.353 nan 8.380 nan 0.000 0.454 559 S N 0.673 116.479 115.700 0.176 0.000 2.576 559 S HA 0.401 4.871 4.470 0.001 0.000 0.276 559 S C 0.571 175.225 174.600 0.090 0.000 1.339 559 S CA -0.918 57.359 58.200 0.128 0.000 1.039 559 S CB 0.971 64.208 63.200 0.063 0.000 0.902 559 S HN 0.655 nan 8.310 nan 0.000 0.516 560 A N 1.724 124.511 122.820 -0.056 0.000 2.386 560 A HA 0.669 4.990 4.320 0.001 0.000 0.246 560 A C 0.939 178.415 177.584 -0.181 0.000 1.089 560 A CA 0.251 52.103 52.037 -0.309 0.000 0.790 560 A CB -0.759 18.066 19.000 -0.291 0.000 1.042 560 A HN 1.959 nan 8.150 nan 0.000 0.497 561 G N -1.097 107.572 108.800 -0.217 0.000 2.712 561 G HA2 0.335 4.295 3.960 0.001 0.000 0.686 561 G HA3 0.335 4.295 3.960 0.001 0.000 0.686 561 G C -0.098 174.763 174.900 -0.065 0.000 1.181 561 G CA -0.093 44.939 45.100 -0.113 0.000 0.762 561 G HN 2.319 nan 8.290 nan 0.000 0.641 562 V N 0.000 119.890 119.914 -0.040 0.000 2.409 562 V HA 0.000 4.120 4.120 0.001 0.000 0.244 562 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 562 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 562 V HN 0.000 nan 8.190 nan 0.000 0.556