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 2wm0_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 ASLGNSAG 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 -0.005 0.000 1.274 24 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 24 A CB 0.000 19.001 19.000 0.001 0.000 0.831 25 A N 1.569 124.384 122.820 -0.008 0.000 2.429 25 A HA 0.642 4.962 4.320 0.001 0.000 0.242 25 A C -2.243 175.335 177.584 -0.009 0.000 1.088 25 A CA -0.595 51.435 52.037 -0.013 0.000 0.784 25 A CB -0.836 18.155 19.000 -0.016 0.000 1.038 25 A HN 0.568 nan 8.150 nan 0.000 0.501 26 P HA 0.272 nan 4.420 nan 0.000 0.272 26 P C 0.574 177.871 177.300 -0.005 0.000 1.240 26 P CA 0.283 63.377 63.100 -0.010 0.000 0.791 26 P CB 0.354 32.041 31.700 -0.021 0.000 0.978 27 G N 0.746 109.550 108.800 0.006 0.000 2.664 27 G HA2 0.087 4.047 3.960 0.001 0.000 0.242 27 G HA3 0.087 4.047 3.960 0.001 0.000 0.242 27 G C -0.503 174.401 174.900 0.007 0.000 1.225 27 G CA -0.378 44.732 45.100 0.017 0.000 0.849 27 G HN 0.472 nan 8.290 nan 0.000 0.581 28 K N 1.924 122.336 120.400 0.020 0.000 2.285 28 K HA 0.252 4.572 4.320 0.001 0.000 0.286 28 K C -2.001 174.613 176.600 0.024 0.000 1.072 28 K CA -1.551 54.742 56.287 0.009 0.000 0.913 28 K CB 0.974 33.485 32.500 0.018 0.000 1.067 28 K HN 0.241 nan 8.250 nan 0.000 0.479 29 P HA 0.099 nan 4.420 nan 0.000 0.274 29 P C -0.979 176.348 177.300 0.045 0.000 1.237 29 P CA -0.376 62.733 63.100 0.015 0.000 0.793 29 P CB 1.056 32.714 31.700 -0.070 0.000 0.977 30 T N 2.343 116.955 114.554 0.096 0.000 2.771 30 T HA 0.422 4.773 4.350 0.001 0.000 0.281 30 T C 0.583 175.335 174.700 0.086 0.000 0.982 30 T CA -0.446 61.719 62.100 0.108 0.000 0.978 30 T CB 0.283 69.313 68.868 0.270 0.000 0.930 30 T HN 0.217 nan 8.240 nan 0.000 0.447 31 I N 2.803 123.376 120.570 0.006 0.000 2.556 31 I HA 0.277 4.447 4.170 0.001 0.000 0.284 31 I C 1.107 177.174 176.117 -0.083 0.000 1.114 31 I CA -0.549 60.752 61.300 0.003 0.000 1.418 31 I CB 0.535 38.502 38.000 -0.055 0.000 1.394 31 I HN 0.660 nan 8.210 nan 0.000 0.552 32 A N 6.889 129.710 122.820 0.003 0.000 2.425 32 A HA 0.154 4.475 4.320 0.001 0.000 0.249 32 A C -0.764 176.798 177.584 -0.037 0.000 1.084 32 A CA -0.306 51.729 52.037 -0.003 0.000 0.781 32 A CB 0.063 19.092 19.000 0.048 0.000 1.019 32 A HN 0.684 nan 8.150 nan 0.000 0.490 33 W N 1.267 122.630 121.300 0.104 0.000 2.223 33 W HA 0.426 5.086 4.660 0.001 0.000 0.334 33 W C 0.927 177.492 176.519 0.075 0.000 1.334 33 W CA 1.659 59.055 57.345 0.085 0.000 1.246 33 W CB 0.570 30.076 29.460 0.077 0.000 1.184 33 W HN 1.086 nan 8.180 nan 0.000 0.563 34 G N 1.695 110.689 108.800 0.323 0.000 2.342 34 G HA2 0.033 3.993 3.960 0.001 0.000 0.297 34 G HA3 0.033 3.993 3.960 0.001 0.000 0.297 34 G C -1.175 173.814 174.900 0.149 0.000 1.313 34 G CA -1.276 43.950 45.100 0.210 0.000 0.830 34 G HN 0.367 nan 8.290 nan 0.000 0.506 35 N N 0.321 119.071 118.700 0.083 0.000 2.356 35 N HA 0.117 4.857 4.740 0.001 0.000 0.252 35 N C 1.081 176.513 175.510 -0.130 0.000 1.241 35 N CA 1.403 54.400 53.050 -0.088 0.000 0.861 35 N CB 1.068 39.457 38.487 -0.164 0.000 1.075 35 N HN 0.756 nan 8.380 nan 0.000 0.461 36 T N -1.583 112.808 114.554 -0.272 0.000 3.111 36 T HA 0.186 4.537 4.350 0.001 0.000 0.284 36 T C 0.153 174.621 174.700 -0.387 0.000 0.983 36 T CA -0.226 61.789 62.100 -0.142 0.000 0.900 36 T CB 0.386 69.265 68.868 0.018 0.000 1.132 36 T HN 0.283 nan 8.240 nan 0.000 0.531 37 K N 1.166 121.076 120.400 -0.817 0.000 2.323 37 K HA 0.666 4.987 4.320 0.001 0.000 0.259 37 K C -1.620 174.393 176.600 -0.978 0.000 0.947 37 K CA -0.614 55.284 56.287 -0.648 0.000 0.819 37 K CB 1.574 33.804 32.500 -0.450 0.000 1.109 37 K HN 0.121 nan 8.250 nan 0.000 0.429 38 F N 0.563 120.426 119.950 -0.144 0.000 2.620 38 F HA 0.695 5.223 4.527 0.001 0.000 0.320 38 F C -0.329 175.364 175.800 -0.180 0.000 1.069 38 F CA -1.064 56.846 58.000 -0.150 0.000 0.953 38 F CB 1.993 40.909 39.000 -0.140 0.000 1.322 38 F HN 0.477 nan 8.300 nan 0.000 0.479 39 A N 0.940 123.776 122.820 0.026 0.000 2.422 39 A HA 0.699 5.020 4.320 0.001 0.000 0.302 39 A C -0.031 177.554 177.584 0.001 0.000 1.041 39 A CA -0.515 51.483 52.037 -0.065 0.000 0.708 39 A CB 0.919 19.823 19.000 -0.161 0.000 1.257 39 A HN 0.787 nan 8.150 nan 0.000 0.414 40 I N 0.960 121.542 120.570 0.019 0.000 2.333 40 I HA -0.035 4.135 4.170 0.001 0.000 0.246 40 I C 0.164 176.290 176.117 0.015 0.000 1.106 40 I CA 1.111 62.423 61.300 0.019 0.000 1.411 40 I CB 0.173 38.191 38.000 0.029 0.000 1.082 40 I HN 0.350 nan 8.210 nan 0.000 0.420 41 V N 2.070 122.021 119.914 0.062 0.000 2.333 41 V HA 0.199 4.320 4.120 0.001 0.000 0.274 41 V C -0.144 176.033 176.094 0.138 0.000 1.028 41 V CA -0.540 61.778 62.300 0.028 0.000 0.851 41 V CB 1.106 32.871 31.823 -0.096 0.000 1.000 41 V HN 0.180 nan 8.190 nan 0.000 0.456 42 E N 3.462 123.698 120.200 0.060 0.000 2.216 42 E HA 0.548 4.898 4.350 0.001 0.000 0.279 42 E C -1.214 175.448 176.600 0.103 0.000 0.997 42 E CA -0.496 55.941 56.400 0.061 0.000 0.817 42 E CB 1.861 31.574 29.700 0.021 0.000 1.096 42 E HN 0.485 nan 8.360 nan 0.000 0.393 43 V N 4.633 124.625 119.914 0.130 0.000 2.347 43 V HA 0.076 4.197 4.120 0.001 0.000 0.280 43 V C -0.134 176.018 176.094 0.096 0.000 1.021 43 V CA -0.784 61.610 62.300 0.157 0.000 0.847 43 V CB 1.390 33.356 31.823 0.237 0.000 0.990 43 V HN 0.712 nan 8.190 nan 0.000 0.444 44 D N 4.353 124.801 120.400 0.080 0.000 2.371 44 D HA 0.051 4.691 4.640 0.001 0.000 0.256 44 D C 0.903 177.255 176.300 0.085 0.000 1.193 44 D CA -0.005 54.035 54.000 0.067 0.000 0.881 44 D CB 1.475 42.306 40.800 0.051 0.000 1.143 44 D HN 0.445 nan 8.370 nan 0.000 0.473 45 Q N 2.271 122.123 119.800 0.086 0.000 2.472 45 Q HA 0.078 4.418 4.340 0.001 0.000 0.208 45 Q C 0.099 176.153 176.000 0.091 0.000 0.958 45 Q CA 0.383 56.247 55.803 0.101 0.000 0.932 45 Q CB 0.482 29.286 28.738 0.109 0.000 1.007 45 Q HN 0.504 nan 8.270 nan 0.000 0.508 46 A N 0.185 123.049 122.820 0.073 0.000 3.258 46 A HA 0.695 5.016 4.320 0.001 0.000 0.318 46 A C -0.618 177.001 177.584 0.058 0.000 0.990 46 A CA -0.089 51.984 52.037 0.061 0.000 0.885 46 A CB 0.280 19.305 19.000 0.043 0.000 1.090 46 A HN 0.041 nan 8.150 nan 0.000 0.479 47 A N -0.064 122.799 122.820 0.073 0.000 2.547 47 A HA 0.698 5.019 4.320 0.001 0.000 0.297 47 A C 0.507 178.144 177.584 0.088 0.000 1.056 47 A CA 0.259 52.338 52.037 0.069 0.000 0.688 47 A CB 0.735 19.773 19.000 0.064 0.000 1.282 47 A HN 0.981 nan 8.150 nan 0.000 0.400 48 T N -1.217 113.387 114.554 0.084 0.000 3.001 48 T HA 0.514 4.864 4.350 0.001 0.000 0.251 48 T C 0.773 175.545 174.700 0.119 0.000 1.040 48 T CA 0.825 62.986 62.100 0.101 0.000 0.985 48 T CB 0.093 69.008 68.868 0.078 0.000 1.011 48 T HN 1.604 nan 8.240 nan 0.000 0.509 49 A N 0.907 123.792 122.820 0.109 0.000 2.289 49 A HA 0.575 4.896 4.320 0.001 0.000 0.298 49 A C 0.702 178.393 177.584 0.177 0.000 1.208 49 A CA -0.742 51.373 52.037 0.130 0.000 0.845 49 A CB 0.164 19.219 19.000 0.092 0.000 1.125 49 A HN 0.333 nan 8.150 nan 0.000 0.517 50 Y N 3.273 123.636 120.300 0.104 0.000 2.151 50 Y HA -0.301 4.249 4.550 0.001 0.000 0.284 50 Y C 1.865 177.845 175.900 0.133 0.000 1.166 50 Y CA 2.815 61.003 58.100 0.146 0.000 1.163 50 Y CB -0.075 38.485 38.460 0.167 0.000 0.974 50 Y HN 0.783 nan 8.280 nan 0.000 0.511 51 N N 0.376 119.167 118.700 0.152 0.000 2.205 51 N HA -0.178 4.563 4.740 0.001 0.000 0.186 51 N C 1.165 176.669 175.510 -0.010 0.000 1.015 51 N CA 1.840 54.921 53.050 0.051 0.000 0.862 51 N CB -0.509 38.034 38.487 0.092 0.000 0.986 51 N HN 0.615 nan 8.380 nan 0.000 0.429 52 N N -0.480 118.229 118.700 0.016 0.000 2.402 52 N HA 0.051 4.791 4.740 0.001 0.000 0.174 52 N C 1.470 176.982 175.510 0.004 0.000 1.027 52 N CA -0.112 52.945 53.050 0.012 0.000 0.891 52 N CB 0.127 38.634 38.487 0.033 0.000 1.016 52 N HN 0.002 nan 8.380 nan 0.000 0.439 53 L N 0.997 122.224 121.223 0.007 0.000 2.079 53 L HA -0.001 4.340 4.340 0.001 0.000 0.210 53 L C -0.010 176.860 176.870 0.001 0.000 1.081 53 L CA 1.294 56.151 54.840 0.029 0.000 0.752 53 L CB 0.055 42.156 42.059 0.069 0.000 0.896 53 L HN -0.143 nan 8.230 nan 0.000 0.433 54 V N 0.724 120.570 119.914 -0.113 0.000 2.378 54 V HA 0.329 4.449 4.120 0.001 0.000 0.288 54 V C -0.167 175.854 176.094 -0.123 0.000 1.016 54 V CA -0.771 61.455 62.300 -0.123 0.000 0.840 54 V CB 1.209 32.851 31.823 -0.301 0.000 0.994 54 V HN 0.131 nan 8.190 nan 0.000 0.431 55 K N 4.199 124.557 120.400 -0.070 0.000 2.425 55 K HA 0.604 4.925 4.320 0.001 0.000 0.259 55 K C -1.230 175.323 176.600 -0.079 0.000 0.978 55 K CA -0.492 55.757 56.287 -0.064 0.000 0.883 55 K CB 1.806 34.289 32.500 -0.028 0.000 1.110 55 K HN 0.511 nan 8.250 nan 0.000 0.436 56 V N 5.244 125.095 119.914 -0.105 0.000 2.432 56 V HA 0.222 4.343 4.120 0.001 0.000 0.271 56 V C -0.145 175.909 176.094 -0.066 0.000 1.046 56 V CA -0.280 61.952 62.300 -0.113 0.000 0.945 56 V CB 0.882 32.619 31.823 -0.144 0.000 0.992 56 V HN 0.732 nan 8.190 nan 0.000 0.471 57 K N 3.206 123.576 120.400 -0.050 0.000 2.295 57 K HA 0.451 4.771 4.320 0.001 0.000 0.239 57 K C 0.514 177.096 176.600 -0.029 0.000 0.991 57 K CA -0.712 55.555 56.287 -0.033 0.000 0.845 57 K CB 1.491 33.976 32.500 -0.024 0.000 1.197 57 K HN 0.431 nan 8.250 nan 0.000 0.441 58 N N -0.005 118.683 118.700 -0.020 0.000 2.459 58 N HA -0.031 4.709 4.740 0.001 0.000 0.181 58 N C -0.522 174.984 175.510 -0.007 0.000 1.046 58 N CA 0.464 53.506 53.050 -0.013 0.000 0.904 58 N CB 0.343 38.825 38.487 -0.008 0.000 0.964 58 N HN 0.514 nan 8.380 nan 0.000 0.444 59 A N -0.420 122.393 122.820 -0.012 0.000 2.605 59 A HA 0.722 5.043 4.320 0.001 0.000 0.294 59 A C -1.345 176.221 177.584 -0.030 0.000 1.062 59 A CA -0.799 51.230 52.037 -0.013 0.000 0.682 59 A CB 0.640 19.633 19.000 -0.011 0.000 1.278 59 A HN 0.081 nan 8.150 nan 0.000 0.410 60 A N 0.818 123.615 122.820 -0.038 0.000 2.407 60 A HA 0.545 4.866 4.320 0.001 0.000 0.248 60 A C -0.500 176.991 177.584 -0.155 0.000 1.082 60 A CA -0.136 51.866 52.037 -0.059 0.000 0.785 60 A CB 0.047 19.031 19.000 -0.027 0.000 1.020 60 A HN 0.636 nan 8.150 nan 0.000 0.489 61 D N 1.582 121.887 120.400 -0.157 0.000 2.317 61 D HA 0.425 5.066 4.640 0.001 0.000 0.234 61 D C -0.597 175.405 176.300 -0.496 0.000 1.112 61 D CA 0.220 54.065 54.000 -0.259 0.000 0.840 61 D CB 1.484 42.205 40.800 -0.132 0.000 1.078 61 D HN 0.155 nan 8.370 nan 0.000 0.486 62 V N 1.440 120.793 119.914 -0.934 0.000 2.667 62 V HA 0.524 4.644 4.120 0.001 0.000 0.308 62 V C 0.188 175.524 176.094 -1.263 0.000 1.048 62 V CA -0.560 60.744 62.300 -1.661 0.000 0.928 62 V CB 2.116 32.862 31.823 -1.795 0.000 1.004 62 V HN 0.446 nan 8.190 nan 0.000 0.444 63 S N 2.304 117.450 115.700 -0.923 0.000 2.538 63 S HA 0.846 5.317 4.470 0.001 0.000 0.288 63 S C -1.334 173.205 174.600 -0.103 0.000 1.108 63 S CA -0.411 57.581 58.200 -0.346 0.000 0.971 63 S CB 1.678 64.806 63.200 -0.119 0.000 1.041 63 S HN 0.502 nan 8.310 nan 0.000 0.483 64 V N 3.277 123.204 119.914 0.021 0.000 2.760 64 V HA 0.685 4.806 4.120 0.001 0.000 0.309 64 V C -0.326 175.841 176.094 0.121 0.000 1.077 64 V CA -0.595 61.784 62.300 0.132 0.000 0.910 64 V CB 2.210 34.160 31.823 0.212 0.000 1.008 64 V HN 0.871 nan 8.190 nan 0.000 0.424 65 S N 2.506 118.270 115.700 0.107 0.000 2.634 65 S HA 0.890 5.361 4.470 0.001 0.000 0.296 65 S C -1.420 173.262 174.600 0.137 0.000 1.104 65 S CA -0.629 57.533 58.200 -0.063 0.000 0.920 65 S CB 2.049 65.153 63.200 -0.161 0.000 1.111 65 S HN 0.860 nan 8.310 nan 0.000 0.493 66 W N 0.232 121.475 121.300 -0.095 0.000 3.074 66 W HA 0.730 5.391 4.660 0.001 0.000 0.332 66 W C -1.727 174.694 176.519 -0.163 0.000 1.253 66 W CA -0.757 56.523 57.345 -0.108 0.000 1.180 66 W CB 0.321 29.721 29.460 -0.100 0.000 1.445 66 W HN 0.533 nan 8.180 nan 0.000 0.573 67 N N 0.840 119.522 118.700 -0.030 0.000 2.265 67 N HA 0.660 5.400 4.740 0.001 0.000 0.300 67 N C -2.126 173.194 175.510 -0.316 0.000 1.148 67 N CA -0.910 51.912 53.050 -0.380 0.000 0.772 67 N CB 2.361 40.367 38.487 -0.802 0.000 1.434 67 N HN 0.514 nan 8.380 nan 0.000 0.481 68 L N 1.398 122.399 121.223 -0.371 0.000 2.319 68 L HA 0.471 4.812 4.340 0.001 0.000 0.281 68 L C -1.051 175.646 176.870 -0.287 0.000 1.005 68 L CA -0.292 54.422 54.840 -0.211 0.000 0.828 68 L CB 0.595 42.638 42.059 -0.027 0.000 1.227 68 L HN 0.776 nan 8.230 nan 0.000 0.415 69 W N 2.840 124.175 121.300 0.057 0.000 3.114 69 W HA 0.285 4.945 4.660 0.001 0.000 0.279 69 W C 0.084 176.624 176.519 0.035 0.000 1.277 69 W CA -0.347 57.024 57.345 0.043 0.000 1.630 69 W CB 0.341 29.824 29.460 0.040 0.000 1.087 69 W HN 0.477 nan 8.180 nan 0.000 0.637 70 N N -0.736 118.083 118.700 0.199 0.000 2.397 70 N HA 0.551 5.292 4.740 0.001 0.000 0.291 70 N C -0.033 175.524 175.510 0.079 0.000 1.065 70 N CA 0.235 53.363 53.050 0.130 0.000 0.884 70 N CB 2.123 40.682 38.487 0.119 0.000 1.551 70 N HN 0.034 nan 8.380 nan 0.000 0.487 71 G N 1.237 110.073 108.800 0.060 0.000 2.500 71 G HA2 -0.172 3.789 3.960 0.001 0.000 0.209 71 G HA3 -0.172 3.789 3.960 0.001 0.000 0.209 71 G C -1.603 173.315 174.900 0.030 0.000 1.283 71 G CA -0.792 44.332 45.100 0.040 0.000 0.960 71 G HN 0.598 nan 8.290 nan 0.000 0.528 72 D N 0.401 120.814 120.400 0.022 0.000 2.256 72 D HA 0.462 5.102 4.640 0.001 0.000 0.250 72 D C 1.941 178.252 176.300 0.018 0.000 1.093 72 D CA 0.562 54.573 54.000 0.017 0.000 0.882 72 D CB 1.241 42.048 40.800 0.011 0.000 1.185 72 D HN 0.795 nan 8.370 nan 0.000 0.437 73 T N 0.719 115.287 114.554 0.024 0.000 3.160 73 T HA 0.334 4.684 4.350 0.001 0.000 0.257 73 T C 1.121 175.839 174.700 0.030 0.000 1.147 73 T CA 0.356 62.479 62.100 0.039 0.000 1.064 73 T CB -0.404 68.501 68.868 0.062 0.000 0.949 73 T HN 0.726 nan 8.240 nan 0.000 0.526 74 G N 1.125 109.932 108.800 0.013 0.000 2.782 74 G HA2 -0.186 3.775 3.960 0.001 0.000 0.228 74 G HA3 -0.186 3.775 3.960 0.001 0.000 0.228 74 G C 0.523 175.426 174.900 0.007 0.000 1.372 74 G CA 0.298 45.397 45.100 -0.000 0.000 0.862 74 G HN 0.971 nan 8.290 nan 0.000 0.547 75 T N -3.972 110.578 114.554 -0.007 0.000 2.971 75 T HA 0.507 4.857 4.350 0.001 0.000 0.252 75 T C 0.839 175.531 174.700 -0.014 0.000 1.022 75 T CA 1.482 63.579 62.100 -0.005 0.000 0.980 75 T CB 0.603 69.462 68.868 -0.014 0.000 1.044 75 T HN 1.058 nan 8.240 nan 0.000 0.501 76 T N 2.034 116.568 114.554 -0.034 0.000 2.876 76 T HA 0.774 5.125 4.350 0.001 0.000 0.289 76 T C -0.919 173.745 174.700 -0.061 0.000 1.014 76 T CA -0.631 61.433 62.100 -0.059 0.000 0.986 76 T CB 1.796 70.605 68.868 -0.098 0.000 1.021 76 T HN 0.458 nan 8.240 nan 0.000 0.458 77 A N 3.044 125.845 122.820 -0.032 0.000 2.337 77 A HA 0.829 5.149 4.320 0.001 0.000 0.329 77 A C -0.488 177.064 177.584 -0.054 0.000 1.146 77 A CA -0.765 51.227 52.037 -0.076 0.000 0.800 77 A CB 0.858 19.872 19.000 0.024 0.000 1.220 77 A HN 0.758 nan 8.150 nan 0.000 0.472 78 K N 1.638 121.954 120.400 -0.139 0.000 2.426 78 K HA 0.566 4.886 4.320 0.001 0.000 0.251 78 K C -1.294 175.234 176.600 -0.119 0.000 0.941 78 K CA -0.727 55.510 56.287 -0.084 0.000 0.808 78 K CB 2.093 34.506 32.500 -0.144 0.000 1.265 78 K HN 0.499 nan 8.250 nan 0.000 0.432 79 I N 3.890 124.417 120.570 -0.071 0.000 2.321 79 I HA 0.311 4.481 4.170 0.001 0.000 0.291 79 I C -0.248 175.726 176.117 -0.238 0.000 0.998 79 I CA -0.533 60.620 61.300 -0.244 0.000 1.227 79 I CB 0.712 38.407 38.000 -0.508 0.000 1.368 79 I HN 0.443 nan 8.210 nan 0.000 0.466 80 L N 6.751 127.871 121.223 -0.172 0.000 2.317 80 L HA 0.554 4.895 4.340 0.001 0.000 0.281 80 L C -0.443 176.373 176.870 -0.089 0.000 1.024 80 L CA -0.672 54.093 54.840 -0.125 0.000 0.810 80 L CB 1.746 43.752 42.059 -0.089 0.000 1.240 80 L HN 0.335 nan 8.230 nan 0.000 0.427 81 L N 4.215 125.391 121.223 -0.078 0.000 2.316 81 L HA 0.391 4.731 4.340 0.001 0.000 0.280 81 L C -0.165 176.755 176.870 0.082 0.000 1.006 81 L CA -0.683 54.148 54.840 -0.015 0.000 0.836 81 L CB 1.167 43.096 42.059 -0.217 0.000 1.221 81 L HN 0.667 nan 8.230 nan 0.000 0.418 82 N N 3.242 122.017 118.700 0.124 0.000 2.716 82 N HA -0.231 4.509 4.740 0.001 0.000 0.250 82 N C 1.008 176.544 175.510 0.042 0.000 1.033 82 N CA 1.248 54.355 53.050 0.095 0.000 0.727 82 N CB -0.901 37.666 38.487 0.134 0.000 0.950 82 N HN 1.131 nan 8.380 nan 0.000 0.541 83 G N -1.188 107.619 108.800 0.011 0.000 2.241 83 G HA2 -0.365 3.595 3.960 0.001 0.000 0.244 83 G HA3 -0.365 3.595 3.960 0.001 0.000 0.244 83 G C 0.013 174.896 174.900 -0.029 0.000 0.998 83 G CA 0.679 45.771 45.100 -0.014 0.000 0.621 83 G HN 0.647 nan 8.290 nan 0.000 0.519 84 K N 1.412 121.797 120.400 -0.024 0.000 2.211 84 K HA 0.460 4.781 4.320 0.001 0.000 0.275 84 K C 0.339 176.892 176.600 -0.079 0.000 1.024 84 K CA -0.551 55.712 56.287 -0.040 0.000 0.887 84 K CB 0.701 33.192 32.500 -0.016 0.000 1.084 84 K HN 0.301 nan 8.250 nan 0.000 0.463 85 E N 3.181 123.326 120.200 -0.092 0.000 2.417 85 E HA -0.020 4.330 4.350 0.001 0.000 0.261 85 E C -0.215 176.299 176.600 -0.144 0.000 1.000 85 E CA 0.080 56.404 56.400 -0.127 0.000 0.919 85 E CB 0.907 30.532 29.700 -0.125 0.000 0.955 85 E HN 0.735 nan 8.360 nan 0.000 0.455 86 A N 4.960 127.647 122.820 -0.223 0.000 2.229 86 A HA 0.151 4.472 4.320 0.001 0.000 0.211 86 A C -0.402 177.041 177.584 -0.235 0.000 1.193 86 A CA -0.167 51.719 52.037 -0.252 0.000 0.879 86 A CB 0.134 18.912 19.000 -0.369 0.000 0.911 86 A HN 0.756 nan 8.150 nan 0.000 0.492 87 W N -0.444 120.567 121.300 -0.482 0.000 3.419 87 W HA 0.480 5.140 4.660 0.001 0.000 0.298 87 W C -1.175 175.188 176.519 -0.260 0.000 1.260 87 W CA 0.191 57.320 57.345 -0.359 0.000 1.199 87 W CB 0.966 30.106 29.460 -0.533 0.000 1.349 87 W HN 0.303 nan 8.180 nan 0.000 0.557 88 S N 3.317 118.395 115.700 -1.037 0.000 2.550 88 S HA 0.973 5.444 4.470 0.001 0.000 0.270 88 S C -0.771 172.893 174.600 -1.560 0.000 1.145 88 S CA -0.241 57.330 58.200 -1.048 0.000 0.852 88 S CB 1.812 64.719 63.200 -0.487 0.000 1.119 88 S HN 1.462 nan 8.310 nan 0.000 0.465 89 G N 0.331 108.458 108.800 -1.121 0.000 2.548 89 G HA2 0.727 4.688 3.960 0.001 0.000 0.301 89 G HA3 0.727 4.688 3.960 0.001 0.000 0.301 89 G C -3.548 171.232 174.900 -0.201 0.000 1.349 89 G CA -1.090 43.637 45.100 -0.623 0.000 0.792 89 G HN 0.652 nan 8.290 nan 0.000 0.481 90 P HA 0.294 nan 4.420 nan 0.000 0.275 90 P C -0.298 177.074 177.300 0.119 0.000 1.227 90 P CA 0.035 63.143 63.100 0.014 0.000 0.781 90 P CB 1.634 33.343 31.700 0.014 0.000 0.906 91 S N 1.313 117.076 115.700 0.106 0.000 2.399 91 S HA 0.274 4.745 4.470 0.001 0.000 0.301 91 S C 1.014 175.686 174.600 0.121 0.000 1.093 91 S CA -0.274 58.029 58.200 0.172 0.000 1.077 91 S CB -0.657 62.619 63.200 0.126 0.000 0.980 91 S HN 0.536 nan 8.310 nan 0.000 0.494 92 T N 1.341 115.970 114.554 0.125 0.000 3.044 92 T HA 0.556 4.907 4.350 0.001 0.000 0.260 92 T C 0.746 175.471 174.700 0.041 0.000 1.019 92 T CA 0.134 62.275 62.100 0.067 0.000 0.921 92 T CB 0.362 69.264 68.868 0.056 0.000 1.053 92 T HN 0.776 nan 8.240 nan 0.000 0.533 93 G N 0.038 108.867 108.800 0.048 0.000 2.488 93 G HA2 0.422 4.383 3.960 0.001 0.000 0.301 93 G HA3 0.422 4.383 3.960 0.001 0.000 0.301 93 G C 0.092 174.990 174.900 -0.003 0.000 1.339 93 G CA -0.160 44.942 45.100 0.004 0.000 0.803 93 G HN -0.124 nan 8.290 nan 0.000 0.482 94 S N -0.594 115.070 115.700 -0.060 0.000 2.481 94 S HA 0.231 4.701 4.470 0.001 0.000 0.231 94 S C 0.941 175.422 174.600 -0.198 0.000 0.996 94 S CA 1.031 59.166 58.200 -0.108 0.000 0.942 94 S CB -0.107 63.004 63.200 -0.149 0.000 0.768 94 S HN 0.568 nan 8.310 nan 0.000 0.520 95 S N -0.554 114.994 115.700 -0.252 0.000 2.570 95 S HA 0.773 5.244 4.470 0.001 0.000 0.286 95 S C -0.083 174.127 174.600 -0.650 0.000 1.099 95 S CA -0.753 57.169 58.200 -0.463 0.000 0.913 95 S CB 2.145 65.117 63.200 -0.380 0.000 1.085 95 S HN 0.395 nan 8.310 nan 0.000 0.480 96 G N 0.380 108.361 108.800 -1.364 0.000 2.692 96 G HA2 0.655 4.616 3.960 0.001 0.000 0.291 96 G HA3 0.655 4.616 3.960 0.001 0.000 0.291 96 G C -1.600 172.272 174.900 -1.715 0.000 1.423 96 G CA -0.496 43.711 45.100 -1.490 0.000 0.843 96 G HN 0.583 nan 8.290 nan 0.000 0.486 97 T N -0.006 113.960 114.554 -0.979 0.000 2.886 97 T HA 0.717 5.067 4.350 0.001 0.000 0.292 97 T C -0.325 174.121 174.700 -0.424 0.000 1.012 97 T CA -0.121 61.630 62.100 -0.581 0.000 0.982 97 T CB 1.736 70.410 68.868 -0.324 0.000 1.018 97 T HN 1.166 nan 8.240 nan 0.000 0.451 98 A N 3.523 126.109 122.820 -0.389 0.000 2.318 98 A HA 0.751 5.072 4.320 0.001 0.000 0.317 98 A C -0.488 176.877 177.584 -0.365 0.000 1.159 98 A CA -0.868 50.631 52.037 -0.897 0.000 0.799 98 A CB 0.575 18.729 19.000 -1.410 0.000 1.194 98 A HN 0.718 nan 8.150 nan 0.000 0.479 99 N N 2.063 120.610 118.700 -0.256 0.000 2.392 99 N HA 0.748 5.488 4.740 0.001 0.000 0.283 99 N C -1.054 174.496 175.510 0.067 0.000 1.003 99 N CA 0.078 53.052 53.050 -0.127 0.000 0.892 99 N CB 1.577 40.011 38.487 -0.088 0.000 1.193 99 N HN 0.648 nan 8.380 nan 0.000 0.487 100 F N -1.301 118.562 119.950 -0.145 0.000 2.745 100 F HA 0.594 5.121 4.527 0.001 0.000 0.316 100 F C -0.821 174.922 175.800 -0.095 0.000 1.155 100 F CA -1.233 56.750 58.000 -0.029 0.000 0.937 100 F CB 1.527 40.563 39.000 0.060 0.000 1.361 100 F HN -0.082 nan 8.300 nan 0.000 0.472 101 K N 1.245 121.688 120.400 0.072 0.000 2.207 101 K HA 0.775 5.096 4.320 0.001 0.000 0.255 101 K C -1.664 174.950 176.600 0.024 0.000 0.941 101 K CA -1.073 55.188 56.287 -0.044 0.000 0.825 101 K CB 2.520 35.023 32.500 0.006 0.000 1.119 101 K HN 0.540 nan 8.250 nan 0.000 0.430 102 V N 3.382 123.260 119.914 -0.060 0.000 2.483 102 V HA 0.115 4.236 4.120 0.001 0.000 0.297 102 V C -0.058 176.035 176.094 -0.002 0.000 1.027 102 V CA -0.911 61.373 62.300 -0.028 0.000 0.855 102 V CB 1.446 33.212 31.823 -0.094 0.000 0.995 102 V HN 0.872 nan 8.190 nan 0.000 0.424 103 N N 2.778 121.493 118.700 0.025 0.000 2.235 103 N HA 0.098 4.839 4.740 0.001 0.000 0.209 103 N C -0.045 175.505 175.510 0.067 0.000 1.122 103 N CA -0.223 52.849 53.050 0.036 0.000 0.845 103 N CB 0.490 38.993 38.487 0.028 0.000 1.004 103 N HN 0.682 nan 8.380 nan 0.000 0.499 104 K N 0.142 120.610 120.400 0.113 0.000 2.471 104 K HA 0.537 4.857 4.320 0.001 0.000 0.252 104 K C -0.183 176.561 176.600 0.240 0.000 0.938 104 K CA -0.795 55.587 56.287 0.158 0.000 0.796 104 K CB 1.647 34.252 32.500 0.175 0.000 1.161 104 K HN 0.074 nan 8.250 nan 0.000 0.425 105 G N 1.410 110.316 108.800 0.176 0.000 2.594 105 G HA2 0.500 4.461 3.960 0.001 0.000 0.243 105 G HA3 0.500 4.461 3.960 0.001 0.000 0.243 105 G C -0.068 174.906 174.900 0.124 0.000 1.229 105 G CA 0.294 45.504 45.100 0.183 0.000 0.843 105 G HN 0.874 nan 8.290 nan 0.000 0.578 106 G N -0.091 108.753 108.800 0.074 0.000 2.337 106 G HA2 0.388 4.349 3.960 0.001 0.000 0.298 106 G HA3 0.388 4.349 3.960 0.001 0.000 0.298 106 G C -1.140 173.638 174.900 -0.203 0.000 1.335 106 G CA -1.112 43.867 45.100 -0.200 0.000 0.875 106 G HN 0.702 nan 8.290 nan 0.000 0.579 107 R N -0.213 120.120 120.500 -0.279 0.000 2.338 107 R HA 0.591 4.931 4.340 0.001 0.000 0.317 107 R C -1.302 174.830 176.300 -0.280 0.000 0.968 107 R CA -0.468 55.547 56.100 -0.142 0.000 0.849 107 R CB 1.348 31.607 30.300 -0.068 0.000 1.128 107 R HN 0.506 nan 8.270 nan 0.000 0.448 108 Y N 0.750 121.084 120.300 0.057 0.000 2.446 108 Y HA 0.190 4.740 4.550 0.001 0.000 0.345 108 Y C 0.151 176.076 175.900 0.042 0.000 0.984 108 Y CA -1.018 57.112 58.100 0.050 0.000 1.058 108 Y CB 1.945 40.445 38.460 0.066 0.000 1.220 108 Y HN 0.208 nan 8.280 nan 0.000 0.455 109 Q N 3.908 123.818 119.800 0.183 0.000 2.369 109 Q HA 0.170 4.511 4.340 0.001 0.000 0.247 109 Q C -0.413 175.651 176.000 0.108 0.000 1.083 109 Q CA -0.021 55.847 55.803 0.109 0.000 0.905 109 Q CB 1.061 29.837 28.738 0.064 0.000 1.305 109 Q HN 0.589 nan 8.270 nan 0.000 0.465 110 M N 2.871 122.530 119.600 0.099 0.000 2.233 110 M HA 0.239 4.719 4.480 0.001 0.000 0.355 110 M C -0.869 175.440 176.300 0.015 0.000 1.191 110 M CA 0.112 55.450 55.300 0.062 0.000 1.101 110 M CB 0.858 33.515 32.600 0.095 0.000 1.592 110 M HN 0.557 nan 8.290 nan 0.000 0.461 111 Q N 2.333 122.117 119.800 -0.027 0.000 2.423 111 Q HA 0.633 4.973 4.340 0.001 0.000 0.278 111 Q C -1.466 174.464 176.000 -0.115 0.000 1.097 111 Q CA -0.940 54.827 55.803 -0.060 0.000 0.809 111 Q CB 3.106 31.807 28.738 -0.061 0.000 1.391 111 Q HN 0.564 nan 8.270 nan 0.000 0.428 112 V N 1.063 120.883 119.914 -0.157 0.000 2.483 112 V HA 0.783 4.903 4.120 0.001 0.000 0.295 112 V C -0.691 175.236 176.094 -0.280 0.000 1.035 112 V CA -0.447 61.672 62.300 -0.301 0.000 0.896 112 V CB 1.400 32.972 31.823 -0.419 0.000 0.986 112 V HN 0.825 nan 8.190 nan 0.000 0.447 113 A N 5.841 128.486 122.820 -0.293 0.000 2.355 113 A HA 0.893 5.213 4.320 0.001 0.000 0.317 113 A C -1.063 176.374 177.584 -0.245 0.000 1.094 113 A CA -0.585 51.323 52.037 -0.215 0.000 0.764 113 A CB 1.098 20.007 19.000 -0.151 0.000 1.230 113 A HN 0.768 nan 8.150 nan 0.000 0.448 114 L N 1.433 122.544 121.223 -0.187 0.000 2.322 114 L HA 0.552 4.892 4.340 0.001 0.000 0.281 114 L C -0.854 175.960 176.870 -0.093 0.000 1.014 114 L CA -0.521 54.233 54.840 -0.144 0.000 0.815 114 L CB 1.608 43.600 42.059 -0.112 0.000 1.247 114 L HN 0.719 nan 8.230 nan 0.000 0.421 115 c N 2.253 120.806 118.600 -0.078 0.000 2.634 115 c HA 0.700 5.270 4.570 0.001 0.000 0.313 115 c C -0.089 173.973 174.090 -0.047 0.000 1.198 115 c CA -0.768 55.522 56.329 -0.064 0.000 1.605 115 c CB 1.492 43.957 42.510 -0.074 0.000 2.196 115 c HN 0.963 nan 8.230 nan 0.000 0.486 116 N N 0.540 119.217 118.700 -0.038 0.000 3.387 116 N HA 0.578 5.319 4.740 0.001 0.000 0.322 116 N C 0.358 175.850 175.510 -0.030 0.000 1.588 116 N CA -0.183 52.849 53.050 -0.031 0.000 0.778 116 N CB 0.244 38.719 38.487 -0.021 0.000 1.883 116 N HN 0.502 nan 8.380 nan 0.000 0.628 117 A N -1.061 121.744 122.820 -0.025 0.000 2.070 117 A HA -0.076 4.244 4.320 0.001 0.000 0.220 117 A C 0.756 178.326 177.584 -0.022 0.000 1.159 117 A CA 1.395 53.418 52.037 -0.024 0.000 0.656 117 A CB -0.720 18.268 19.000 -0.020 0.000 0.800 117 A HN 0.661 nan 8.150 nan 0.000 0.453 118 D N -1.022 119.366 120.400 -0.020 0.000 2.349 118 D HA 0.364 5.004 4.640 0.001 0.000 0.214 118 D C 0.861 177.149 176.300 -0.021 0.000 1.063 118 D CA 1.132 55.122 54.000 -0.018 0.000 0.847 118 D CB 0.580 41.372 40.800 -0.013 0.000 0.933 118 D HN 0.523 nan 8.370 nan 0.000 0.513 119 G N -0.379 108.406 108.800 -0.026 0.000 2.359 119 G HA2 -0.024 3.936 3.960 0.001 0.000 0.303 119 G HA3 -0.024 3.936 3.960 0.001 0.000 0.303 119 G C -1.341 173.537 174.900 -0.037 0.000 1.293 119 G CA -0.863 44.219 45.100 -0.030 0.000 0.964 119 G HN 0.184 nan 8.290 nan 0.000 0.531 120 c N -0.050 118.525 118.600 -0.041 0.000 2.456 120 c HA 0.890 5.461 4.570 0.001 0.000 0.325 120 c C 0.262 174.322 174.090 -0.050 0.000 1.217 120 c CA -0.302 55.995 56.329 -0.053 0.000 1.687 120 c CB 1.250 43.722 42.510 -0.062 0.000 2.270 120 c HN 0.865 nan 8.230 nan 0.000 0.499 121 T N 2.537 117.056 114.554 -0.058 0.000 2.847 121 T HA 0.650 5.001 4.350 0.001 0.000 0.291 121 T C -0.241 174.416 174.700 -0.071 0.000 0.998 121 T CA -0.099 61.970 62.100 -0.051 0.000 0.967 121 T CB 1.337 70.182 68.868 -0.038 0.000 0.954 121 T HN 0.887 nan 8.240 nan 0.000 0.441 122 A N 2.924 125.706 122.820 -0.064 0.000 2.312 122 A HA 0.782 5.102 4.320 0.001 0.000 0.326 122 A C 0.731 178.278 177.584 -0.061 0.000 1.172 122 A CA -0.778 51.213 52.037 -0.077 0.000 0.821 122 A CB 0.516 19.477 19.000 -0.067 0.000 1.166 122 A HN 0.902 nan 8.150 nan 0.000 0.493 123 S N 2.094 117.749 115.700 -0.075 0.000 2.587 123 S HA 0.160 4.630 4.470 0.001 0.000 0.260 123 S C -0.098 174.480 174.600 -0.036 0.000 1.353 123 S CA -0.415 57.755 58.200 -0.050 0.000 0.995 123 S CB 0.122 63.285 63.200 -0.061 0.000 0.912 123 S HN 0.644 nan 8.310 nan 0.000 0.568 124 D N 1.072 121.458 120.400 -0.024 0.000 2.378 124 D HA 0.403 5.044 4.640 0.001 0.000 0.238 124 D C 0.371 176.656 176.300 -0.026 0.000 1.180 124 D CA 0.486 54.474 54.000 -0.021 0.000 0.895 124 D CB 0.394 41.183 40.800 -0.017 0.000 1.192 124 D HN 0.856 nan 8.370 nan 0.000 0.438 125 A N 1.316 124.127 122.820 -0.015 0.000 2.388 125 A HA 0.442 4.762 4.320 0.001 0.000 0.257 125 A C 0.157 177.738 177.584 -0.004 0.000 1.095 125 A CA -0.149 51.885 52.037 -0.005 0.000 0.791 125 A CB 0.440 19.445 19.000 0.008 0.000 1.029 125 A HN 0.391 nan 8.150 nan 0.000 0.489 126 T N 2.021 116.579 114.554 0.006 0.000 2.792 126 T HA 0.322 4.672 4.350 0.001 0.000 0.280 126 T C -0.137 174.596 174.700 0.055 0.000 0.990 126 T CA -0.351 61.756 62.100 0.013 0.000 0.960 126 T CB 1.058 69.921 68.868 -0.008 0.000 0.939 126 T HN 0.775 nan 8.240 nan 0.000 0.439 127 E N 3.821 124.056 120.200 0.057 0.000 2.376 127 E HA 0.310 4.660 4.350 0.001 0.000 0.266 127 E C -0.295 176.372 176.600 0.111 0.000 1.009 127 E CA -0.372 56.076 56.400 0.081 0.000 0.902 127 E CB 0.381 30.112 29.700 0.052 0.000 0.972 127 E HN 0.629 nan 8.360 nan 0.000 0.439 128 I N 0.761 121.434 120.570 0.173 0.000 2.693 128 I HA 0.537 4.707 4.170 0.001 0.000 0.303 128 I C -0.987 175.270 176.117 0.232 0.000 1.025 128 I CA -1.269 60.161 61.300 0.217 0.000 1.086 128 I CB 1.989 40.174 38.000 0.309 0.000 1.268 128 I HN 0.147 nan 8.210 nan 0.000 0.440 129 V N 5.090 125.118 119.914 0.191 0.000 2.398 129 V HA 0.387 4.508 4.120 0.001 0.000 0.286 129 V C -0.087 176.135 176.094 0.214 0.000 1.026 129 V CA -0.571 61.825 62.300 0.160 0.000 0.868 129 V CB 1.553 33.405 31.823 0.047 0.000 0.982 129 V HN 0.561 nan 8.190 nan 0.000 0.443 130 V N 4.882 124.940 119.914 0.240 0.000 2.325 130 V HA 0.621 4.742 4.120 0.001 0.000 0.280 130 V C 0.502 176.623 176.094 0.045 0.000 1.016 130 V CA -0.552 61.867 62.300 0.200 0.000 0.818 130 V CB 1.424 33.431 31.823 0.307 0.000 1.019 130 V HN 0.968 nan 8.190 nan 0.000 0.434 131 A N 3.663 126.362 122.820 -0.202 0.000 2.354 131 A HA 0.712 5.033 4.320 0.001 0.000 0.269 131 A C -0.357 177.128 177.584 -0.166 0.000 1.109 131 A CA -0.018 51.595 52.037 -0.707 0.000 0.800 131 A CB 0.765 19.125 19.000 -1.067 0.000 1.045 131 A HN 0.740 nan 8.150 nan 0.000 0.489 132 D N -0.641 119.787 120.400 0.047 0.000 2.583 132 D HA 0.390 5.030 4.640 0.001 0.000 0.248 132 D C 0.836 177.308 176.300 0.287 0.000 1.209 132 D CA 0.421 54.544 54.000 0.205 0.000 0.848 132 D CB 1.652 42.533 40.800 0.135 0.000 1.431 132 D HN 0.443 nan 8.370 nan 0.000 0.436 133 T N -1.821 112.796 114.554 0.104 0.000 3.194 133 T HA 0.014 4.365 4.350 0.001 0.000 0.251 133 T C 0.786 175.594 174.700 0.181 0.000 1.132 133 T CA 0.338 62.466 62.100 0.046 0.000 1.028 133 T CB -0.145 68.713 68.868 -0.016 0.000 0.976 133 T HN 0.383 nan 8.240 nan 0.000 0.535 134 D N 1.120 121.610 120.400 0.150 0.000 2.355 134 D HA 0.143 4.783 4.640 0.001 0.000 0.218 134 D C 1.674 178.032 176.300 0.097 0.000 1.004 134 D CA 0.564 54.639 54.000 0.125 0.000 0.880 134 D CB -0.849 40.003 40.800 0.085 0.000 0.911 134 D HN 0.544 nan 8.370 nan 0.000 0.528 135 G N 0.617 109.505 108.800 0.147 0.000 2.143 135 G HA2 -0.359 3.601 3.960 0.001 0.000 0.248 135 G HA3 -0.359 3.601 3.960 0.001 0.000 0.248 135 G C 1.093 175.985 174.900 -0.014 0.000 0.991 135 G CA 0.894 46.009 45.100 0.026 0.000 0.689 135 G HN 0.604 nan 8.290 nan 0.000 0.522 136 S N 0.329 116.108 115.700 0.131 0.000 2.465 136 S HA -0.159 4.312 4.470 0.001 0.000 0.241 136 S C 1.822 176.453 174.600 0.052 0.000 1.000 136 S CA 1.669 59.911 58.200 0.069 0.000 0.964 136 S CB -0.544 62.707 63.200 0.086 0.000 0.763 136 S HN 1.116 nan 8.310 nan 0.000 0.512 137 H N 0.233 119.304 119.070 0.002 0.000 2.551 137 H HA 0.467 5.024 4.556 0.001 0.000 0.271 137 H C 0.205 175.513 175.328 -0.033 0.000 0.984 137 H CA -0.533 55.504 56.048 -0.018 0.000 1.164 137 H CB -0.398 29.375 29.762 0.017 0.000 1.437 137 H HN 0.359 nan 8.280 nan 0.000 0.550 138 L N 1.644 122.552 121.223 -0.524 0.000 2.317 138 L HA 0.563 4.903 4.340 0.001 0.000 0.281 138 L C 0.428 177.162 176.870 -0.226 0.000 1.024 138 L CA -1.108 53.479 54.840 -0.422 0.000 0.810 138 L CB 1.708 43.486 42.059 -0.469 0.000 1.240 138 L HN 0.131 nan 8.230 nan 0.000 0.427 139 A N 4.854 127.572 122.820 -0.171 0.000 2.531 139 A HA 0.349 4.669 4.320 0.001 0.000 0.236 139 A C -2.201 175.300 177.584 -0.138 0.000 1.062 139 A CA -0.812 51.147 52.037 -0.131 0.000 0.760 139 A CB -0.662 18.276 19.000 -0.104 0.000 0.995 139 A HN 0.434 nan 8.150 nan 0.000 0.501 140 P HA 0.122 nan 4.420 nan 0.000 0.268 140 P C -0.647 176.580 177.300 -0.121 0.000 1.204 140 P CA -0.185 62.835 63.100 -0.132 0.000 0.768 140 P CB 0.497 32.114 31.700 -0.138 0.000 0.842 141 L N 4.528 125.680 121.223 -0.119 0.000 2.334 141 L HA 0.211 4.552 4.340 0.001 0.000 0.286 141 L C 0.143 176.972 176.870 -0.069 0.000 1.108 141 L CA 0.402 55.184 54.840 -0.098 0.000 0.875 141 L CB -0.508 41.486 42.059 -0.110 0.000 1.246 141 L HN 0.198 nan 8.230 nan 0.000 0.439 142 K N 4.737 125.095 120.400 -0.069 0.000 2.530 142 K HA 0.397 4.717 4.320 0.001 0.000 0.230 142 K C -0.790 175.794 176.600 -0.027 0.000 1.002 142 K CA -0.548 55.710 56.287 -0.048 0.000 1.014 142 K CB 1.293 33.741 32.500 -0.087 0.000 1.286 142 K HN 0.419 nan 8.250 nan 0.000 0.480 143 E N 2.748 122.944 120.200 -0.006 0.000 2.221 143 E HA 0.374 4.725 4.350 0.001 0.000 0.268 143 E C -2.187 174.407 176.600 -0.009 0.000 0.933 143 E CA -2.044 54.341 56.400 -0.025 0.000 0.809 143 E CB 1.369 31.040 29.700 -0.049 0.000 1.190 143 E HN 0.357 nan 8.360 nan 0.000 0.406 144 P HA 0.176 nan 4.420 nan 0.000 0.272 144 P C -0.056 177.242 177.300 -0.003 0.000 1.223 144 P CA -0.247 62.848 63.100 -0.007 0.000 0.784 144 P CB 0.643 32.335 31.700 -0.013 0.000 0.923 145 L N 1.394 122.623 121.223 0.010 0.000 2.456 145 L HA 0.167 4.507 4.340 0.001 0.000 0.272 145 L C 0.830 177.712 176.870 0.019 0.000 1.189 145 L CA -0.052 54.801 54.840 0.021 0.000 0.846 145 L CB -0.256 41.823 42.059 0.034 0.000 1.111 145 L HN 0.247 nan 8.230 nan 0.000 0.475 146 L N 1.943 123.183 121.223 0.029 0.000 2.298 146 L HA 0.454 4.795 4.340 0.001 0.000 0.268 146 L C 0.669 177.571 176.870 0.054 0.000 1.010 146 L CA -0.703 54.155 54.840 0.030 0.000 0.812 146 L CB 1.298 43.368 42.059 0.019 0.000 1.331 146 L HN 0.739 nan 8.230 nan 0.000 0.450 147 E N -0.077 120.154 120.200 0.051 0.000 3.374 147 E HA -0.345 4.006 4.350 0.001 0.000 0.375 147 E C 0.426 177.059 176.600 0.056 0.000 1.535 147 E CA 1.868 58.303 56.400 0.058 0.000 1.664 147 E CB -0.517 29.234 29.700 0.084 0.000 1.707 147 E HN 0.578 nan 8.360 nan 0.000 0.469 148 K N 1.314 121.757 120.400 0.071 0.000 2.387 148 K HA 0.173 4.493 4.320 0.001 0.000 0.198 148 K C -0.083 176.567 176.600 0.082 0.000 1.022 148 K CA -0.163 56.166 56.287 0.070 0.000 1.128 148 K CB -0.028 32.520 32.500 0.080 0.000 0.853 148 K HN 0.214 nan 8.250 nan 0.000 0.523 149 N N 2.688 121.441 118.700 0.088 0.000 2.454 149 N HA 0.017 4.758 4.740 0.001 0.000 0.260 149 N C -0.480 175.083 175.510 0.088 0.000 1.218 149 N CA 0.838 53.949 53.050 0.103 0.000 0.904 149 N CB 0.736 39.282 38.487 0.099 0.000 1.065 149 N HN 0.066 nan 8.380 nan 0.000 0.462 150 K N 2.158 122.630 120.400 0.120 0.000 2.267 150 K HA 0.461 4.782 4.320 0.001 0.000 0.246 150 K C -2.449 174.156 176.600 0.009 0.000 0.954 150 K CA -1.702 54.606 56.287 0.035 0.000 0.824 150 K CB 1.959 34.461 32.500 0.002 0.000 1.167 150 K HN 0.322 nan 8.250 nan 0.000 0.431 151 P HA 0.103 nan 4.420 nan 0.000 0.281 151 P C -1.413 175.708 177.300 -0.298 0.000 1.252 151 P CA 0.022 63.070 63.100 -0.088 0.000 0.778 151 P CB 0.373 32.033 31.700 -0.067 0.000 0.895 152 Y N 0.921 121.234 120.300 0.021 0.000 2.485 152 Y HA 0.388 4.938 4.550 0.001 0.000 0.345 152 Y C 0.980 176.896 175.900 0.026 0.000 0.998 152 Y CA -0.788 57.326 58.100 0.023 0.000 1.059 152 Y CB 2.346 40.819 38.460 0.023 0.000 1.234 152 Y HN 0.127 nan 8.280 nan 0.000 0.461 153 K N 1.761 122.261 120.400 0.166 0.000 2.143 153 K HA 0.265 4.586 4.320 0.001 0.000 0.272 153 K C -0.666 176.010 176.600 0.126 0.000 1.001 153 K CA -0.990 55.366 56.287 0.115 0.000 0.915 153 K CB 0.839 33.385 32.500 0.076 0.000 1.047 153 K HN 0.468 nan 8.250 nan 0.000 0.458 154 Q N 3.067 122.925 119.800 0.096 0.000 2.844 154 Q HA 0.027 4.368 4.340 0.001 0.000 0.235 154 Q C -0.030 176.013 176.000 0.073 0.000 1.336 154 Q CA 0.045 55.898 55.803 0.084 0.000 1.026 154 Q CB -0.215 28.566 28.738 0.072 0.000 1.513 154 Q HN 0.570 nan 8.270 nan 0.000 0.577 155 N N -1.667 117.077 118.700 0.074 0.000 2.170 155 N HA -0.064 4.676 4.740 0.001 0.000 0.222 155 N C 0.773 176.317 175.510 0.057 0.000 1.218 155 N CA 0.138 53.224 53.050 0.061 0.000 0.889 155 N CB 0.181 38.702 38.487 0.056 0.000 1.083 155 N HN 0.097 nan 8.380 nan 0.000 0.520 156 S N -0.835 114.900 115.700 0.060 0.000 2.489 156 S HA 0.217 4.688 4.470 0.001 0.000 0.228 156 S C 1.650 176.282 174.600 0.052 0.000 0.995 156 S CA 0.555 58.787 58.200 0.052 0.000 0.934 156 S CB -0.776 62.453 63.200 0.049 0.000 0.771 156 S HN 0.555 nan 8.310 nan 0.000 0.522 157 G N 1.132 109.968 108.800 0.060 0.000 2.155 157 G HA2 -0.233 3.728 3.960 0.001 0.000 0.257 157 G HA3 -0.233 3.728 3.960 0.001 0.000 0.257 157 G C -0.029 174.917 174.900 0.076 0.000 0.983 157 G CA 0.470 45.610 45.100 0.067 0.000 0.676 157 G HN 0.513 nan 8.290 nan 0.000 0.528 158 K N 0.157 120.599 120.400 0.071 0.000 2.118 158 K HA 0.604 4.924 4.320 0.001 0.000 0.254 158 K C 0.670 177.317 176.600 0.080 0.000 0.961 158 K CA -0.856 55.473 56.287 0.070 0.000 0.876 158 K CB 2.040 34.574 32.500 0.056 0.000 1.077 158 K HN 0.070 nan 8.250 nan 0.000 0.440 159 V N 2.067 122.014 119.914 0.054 0.000 2.599 159 V HA 0.033 4.154 4.120 0.001 0.000 0.300 159 V C 0.124 176.275 176.094 0.095 0.000 1.034 159 V CA -0.149 62.171 62.300 0.034 0.000 1.115 159 V CB 0.761 32.479 31.823 -0.175 0.000 0.934 159 V HN 0.353 nan 8.190 nan 0.000 0.485 160 V N 4.836 124.832 119.914 0.136 0.000 2.398 160 V HA 0.709 4.829 4.120 0.001 0.000 0.282 160 V C 0.454 176.636 176.094 0.147 0.000 1.014 160 V CA -0.155 62.214 62.300 0.116 0.000 0.838 160 V CB 1.346 33.206 31.823 0.062 0.000 1.018 160 V HN 0.993 nan 8.190 nan 0.000 0.432 161 G N 2.079 110.979 108.800 0.167 0.000 2.498 161 G HA2 0.763 4.723 3.960 0.001 0.000 0.312 161 G HA3 0.763 4.723 3.960 0.001 0.000 0.312 161 G C -1.008 173.964 174.900 0.121 0.000 1.230 161 G CA -0.580 44.601 45.100 0.135 0.000 0.968 161 G HN 0.650 nan 8.290 nan 0.000 0.481 162 S N -1.213 114.514 115.700 0.045 0.000 2.596 162 S HA 0.626 5.096 4.470 0.001 0.000 0.270 162 S C -1.913 172.669 174.600 -0.029 0.000 1.155 162 S CA -0.576 57.670 58.200 0.077 0.000 0.827 162 S CB 1.087 64.310 63.200 0.039 0.000 1.130 162 S HN 0.419 nan 8.310 nan 0.000 0.467 163 Y N 1.772 122.049 120.300 -0.039 0.000 2.330 163 Y HA 0.552 5.102 4.550 0.001 0.000 0.336 163 Y C -0.298 175.412 175.900 -0.315 0.000 1.036 163 Y CA -0.418 57.593 58.100 -0.148 0.000 1.125 163 Y CB 1.106 39.440 38.460 -0.210 0.000 1.194 163 Y HN 0.586 nan 8.280 nan 0.000 0.469 164 F N 4.950 124.757 119.950 -0.237 0.000 2.420 164 F HA 0.628 5.156 4.527 0.001 0.000 0.342 164 F C -0.668 174.786 175.800 -0.577 0.000 1.113 164 F CA -1.190 56.617 58.000 -0.321 0.000 1.059 164 F CB 0.766 39.714 39.000 -0.086 0.000 1.128 164 F HN 0.232 nan 8.300 nan 0.000 0.475 165 V N 3.655 122.679 119.914 -1.482 0.000 2.427 165 V HA 0.398 4.518 4.120 0.001 0.000 0.286 165 V C 0.984 176.094 176.094 -1.640 0.000 1.034 165 V CA -0.485 60.780 62.300 -1.725 0.000 0.893 165 V CB 1.533 32.000 31.823 -2.260 0.000 0.982 165 V HN 1.028 nan 8.190 nan 0.000 0.452 166 E N 3.583 123.084 120.200 -1.164 0.000 2.085 166 E HA -0.214 4.137 4.350 0.001 0.000 0.194 166 E C 1.444 177.887 176.600 -0.261 0.000 0.994 166 E CA 2.504 58.646 56.400 -0.430 0.000 0.801 166 E CB -0.099 29.597 29.700 -0.008 0.000 0.743 166 E HN 1.002 nan 8.360 nan 0.000 0.453 167 W N -0.667 120.556 121.300 -0.129 0.000 3.077 167 W HA 0.345 5.006 4.660 0.001 0.000 0.245 167 W C 1.509 177.962 176.519 -0.109 0.000 1.316 167 W CA 0.140 57.496 57.345 0.018 0.000 1.537 167 W CB -0.565 28.920 29.460 0.042 0.000 1.131 167 W HN -0.023 nan 8.180 nan 0.000 0.695 168 G N 1.577 109.967 108.800 -0.683 0.000 2.679 168 G HA2 -0.125 3.836 3.960 0.001 0.000 0.212 168 G HA3 -0.125 3.836 3.960 0.001 0.000 0.212 168 G C 1.235 175.935 174.900 -0.334 0.000 1.137 168 G CA 1.170 45.911 45.100 -0.599 0.000 0.787 168 G HN 0.475 nan 8.290 nan 0.000 0.534 169 V N -3.180 116.532 119.914 -0.337 0.000 3.461 169 V HA 0.226 4.347 4.120 0.001 0.000 0.267 169 V C 1.648 177.555 176.094 -0.312 0.000 1.186 169 V CA 0.148 62.268 62.300 -0.300 0.000 1.154 169 V CB -0.964 30.652 31.823 -0.346 0.000 0.802 169 V HN 0.235 nan 8.190 nan 0.000 0.474 170 Y N 2.189 122.486 120.300 -0.006 0.000 2.926 170 Y HA 0.573 5.123 4.550 0.001 0.000 0.207 170 Y C 2.690 178.586 175.900 -0.007 0.000 0.927 170 Y CA 1.147 59.264 58.100 0.027 0.000 1.055 170 Y CB -1.142 37.350 38.460 0.054 0.000 1.056 170 Y HN 0.076 nan 8.280 nan 0.000 0.462 171 G N 0.065 108.966 108.800 0.167 0.000 2.469 171 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 171 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 171 G C 1.533 176.373 174.900 -0.099 0.000 1.150 171 G CA 1.015 46.155 45.100 0.067 0.000 0.763 171 G HN 0.297 nan 8.290 nan 0.000 0.561 172 R N -0.470 119.778 120.500 -0.420 0.000 2.280 172 R HA 0.032 4.373 4.340 0.001 0.000 0.207 172 R C 1.168 177.457 176.300 -0.017 0.000 1.043 172 R CA 0.443 56.281 56.100 -0.436 0.000 1.006 172 R CB -0.151 29.761 30.300 -0.647 0.000 0.885 172 R HN 0.338 nan 8.270 nan 0.000 0.467 173 N N -0.376 118.325 118.700 0.002 0.000 2.721 173 N HA -0.255 4.485 4.740 0.001 0.000 0.249 173 N C -1.446 174.112 175.510 0.079 0.000 1.072 173 N CA 0.574 53.653 53.050 0.048 0.000 0.710 173 N CB -1.038 37.501 38.487 0.086 0.000 0.993 173 N HN 0.219 nan 8.380 nan 0.000 0.547 174 F N 0.646 120.533 119.950 -0.105 0.000 2.427 174 F HA 0.496 5.024 4.527 0.001 0.000 0.348 174 F C 0.613 176.441 175.800 0.046 0.000 1.125 174 F CA -0.039 57.930 58.000 -0.051 0.000 0.989 174 F CB 0.855 39.786 39.000 -0.116 0.000 1.165 174 F HN 0.114 nan 8.300 nan 0.000 0.442 175 T N 1.403 115.894 114.554 -0.105 0.000 2.949 175 T HA 0.357 4.708 4.350 0.001 0.000 0.287 175 T C 0.908 175.562 174.700 -0.077 0.000 1.034 175 T CA -0.772 61.352 62.100 0.041 0.000 1.018 175 T CB 1.485 70.303 68.868 -0.084 0.000 1.135 175 T HN 0.251 nan 8.240 nan 0.000 0.532 176 V N 1.729 121.517 119.914 -0.210 0.000 2.490 176 V HA -0.164 3.957 4.120 0.001 0.000 0.250 176 V C 2.515 178.438 176.094 -0.286 0.000 1.061 176 V CA 2.261 64.298 62.300 -0.438 0.000 1.064 176 V CB -0.931 30.592 31.823 -0.500 0.000 0.670 176 V HN 1.033 nan 8.190 nan 0.000 0.461 177 D N 0.151 120.410 120.400 -0.235 0.000 2.350 177 D HA -0.191 4.449 4.640 0.001 0.000 0.216 177 D C 1.626 177.791 176.300 -0.224 0.000 0.968 177 D CA 0.746 54.630 54.000 -0.193 0.000 0.894 177 D CB -0.177 40.530 40.800 -0.155 0.000 0.909 177 D HN 0.423 nan 8.370 nan 0.000 0.520 178 K N 0.211 120.389 120.400 -0.369 0.000 2.404 178 K HA 0.202 4.523 4.320 0.001 0.000 0.194 178 K C 0.786 177.198 176.600 -0.315 0.000 1.023 178 K CA -0.165 55.824 56.287 -0.495 0.000 1.094 178 K CB 0.660 32.515 32.500 -1.075 0.000 0.841 178 K HN 0.188 nan 8.250 nan 0.000 0.523 179 I N 4.241 124.718 120.570 -0.154 0.000 2.556 179 I HA 0.005 4.175 4.170 0.001 0.000 0.284 179 I C -1.834 174.293 176.117 0.017 0.000 1.114 179 I CA -1.766 59.575 61.300 0.068 0.000 1.418 179 I CB 0.503 38.512 38.000 0.015 0.000 1.394 179 I HN -0.138 nan 8.210 nan 0.000 0.552 180 P HA 0.104 nan 4.420 nan 0.000 0.237 180 P C 0.373 177.651 177.300 -0.036 0.000 1.788 180 P CA -0.090 63.028 63.100 0.029 0.000 1.061 180 P CB 0.577 32.322 31.700 0.074 0.000 1.967 181 A N 3.263 126.004 122.820 -0.131 0.000 2.015 181 A HA -0.192 4.129 4.320 0.001 0.000 0.219 181 A C 2.197 179.528 177.584 -0.421 0.000 1.163 181 A CA 1.084 52.940 52.037 -0.302 0.000 0.646 181 A CB -0.713 18.018 19.000 -0.448 0.000 0.806 181 A HN 0.504 nan 8.150 nan 0.000 0.448 182 Q N -0.612 119.006 119.800 -0.304 0.000 2.291 182 Q HA -0.124 4.217 4.340 0.001 0.000 0.206 182 Q C 0.312 176.304 176.000 -0.014 0.000 0.976 182 Q CA 1.392 57.128 55.803 -0.113 0.000 0.875 182 Q CB -0.422 28.365 28.738 0.083 0.000 0.927 182 Q HN 0.471 nan 8.270 nan 0.000 0.450 183 N N 0.394 119.095 118.700 0.001 0.000 2.313 183 N HA 0.289 5.029 4.740 0.001 0.000 0.207 183 N C -0.760 174.763 175.510 0.022 0.000 1.141 183 N CA 0.257 53.342 53.050 0.058 0.000 0.830 183 N CB 0.480 39.026 38.487 0.098 0.000 1.008 183 N HN 0.225 nan 8.380 nan 0.000 0.481 184 L N -0.871 120.349 121.223 -0.005 0.000 2.371 184 L HA 0.368 4.709 4.340 0.001 0.000 0.262 184 L C 1.314 178.199 176.870 0.025 0.000 1.006 184 L CA -0.489 54.361 54.840 0.016 0.000 0.818 184 L CB 2.216 44.273 42.059 -0.003 0.000 1.354 184 L HN -0.057 nan 8.230 nan 0.000 0.415 185 T N -3.770 110.840 114.554 0.092 0.000 3.040 185 T HA 0.157 4.508 4.350 0.001 0.000 0.252 185 T C 0.317 174.998 174.700 -0.032 0.000 1.064 185 T CA 0.454 62.605 62.100 0.085 0.000 1.110 185 T CB -0.029 68.972 68.868 0.221 0.000 0.921 185 T HN 0.511 nan 8.240 nan 0.000 0.480 186 H N 0.042 119.127 119.070 0.025 0.000 2.689 186 H HA 0.699 5.256 4.556 0.001 0.000 0.346 186 H C -1.607 173.707 175.328 -0.023 0.000 1.037 186 H CA -0.917 55.146 56.048 0.026 0.000 1.234 186 H CB 1.872 31.668 29.762 0.056 0.000 1.572 186 H HN 0.153 nan 8.280 nan 0.000 0.524 187 L N 4.171 125.432 121.223 0.063 0.000 2.343 187 L HA 0.504 4.844 4.340 0.001 0.000 0.278 187 L C -1.786 175.102 176.870 0.029 0.000 0.996 187 L CA -0.471 54.383 54.840 0.024 0.000 0.831 187 L CB 0.769 42.839 42.059 0.018 0.000 1.232 187 L HN 0.515 nan 8.230 nan 0.000 0.413 188 L N 5.353 126.499 121.223 -0.128 0.000 2.295 188 L HA 0.410 4.751 4.340 0.001 0.000 0.285 188 L C -1.066 175.834 176.870 0.049 0.000 1.035 188 L CA -0.354 54.369 54.840 -0.195 0.000 0.806 188 L CB 1.365 42.860 42.059 -0.940 0.000 1.214 188 L HN 0.534 nan 8.230 nan 0.000 0.426 189 Y N 2.177 122.555 120.300 0.130 0.000 2.454 189 Y HA 0.601 5.151 4.550 0.001 0.000 0.345 189 Y C 0.531 176.538 175.900 0.178 0.000 0.970 189 Y CA -0.791 57.461 58.100 0.253 0.000 1.204 189 Y CB 1.057 39.786 38.460 0.449 0.000 1.122 189 Y HN 0.578 nan 8.280 nan 0.000 0.514 190 G N 5.957 114.534 108.800 -0.372 0.000 2.319 190 G HA2 0.507 4.467 3.960 0.001 0.000 0.308 190 G HA3 0.507 4.467 3.960 0.001 0.000 0.308 190 G C -1.600 172.983 174.900 -0.527 0.000 1.117 190 G CA -0.191 44.424 45.100 -0.808 0.000 0.903 190 G HN 0.473 nan 8.290 nan 0.000 0.436 191 F N 1.262 121.395 119.950 0.306 0.000 2.613 191 F HA 0.443 4.971 4.527 0.001 0.000 0.310 191 F C -0.255 175.762 175.800 0.363 0.000 1.085 191 F CA -1.224 57.000 58.000 0.374 0.000 0.945 191 F CB 1.993 41.234 39.000 0.402 0.000 1.298 191 F HN 0.158 nan 8.300 nan 0.000 0.455 192 I N 4.727 125.597 120.570 0.499 0.000 2.342 192 I HA 0.279 4.449 4.170 0.001 0.000 0.291 192 I C -2.194 173.997 176.117 0.124 0.000 1.010 192 I CA -2.570 58.882 61.300 0.254 0.000 1.308 192 I CB 0.756 38.745 38.000 -0.019 0.000 1.400 192 I HN 0.240 nan 8.210 nan 0.000 0.488 193 P HA 0.443 nan 4.420 nan 0.000 0.280 193 P C -0.712 176.477 177.300 -0.185 0.000 1.272 193 P CA -0.527 62.496 63.100 -0.128 0.000 0.819 193 P CB 1.746 33.290 31.700 -0.260 0.000 1.122 194 I N 0.409 120.818 120.570 -0.269 0.000 2.378 194 I HA 0.224 4.395 4.170 0.001 0.000 0.291 194 I C 0.429 176.339 176.117 -0.346 0.000 0.992 194 I CA -0.862 60.270 61.300 -0.281 0.000 1.154 194 I CB 1.235 38.984 38.000 -0.418 0.000 1.315 194 I HN 0.254 nan 8.210 nan 0.000 0.448 195 c N 4.801 123.221 118.600 -0.301 0.000 2.657 195 c HA 0.577 5.148 4.570 0.001 0.000 0.420 195 c C 0.876 174.676 174.090 -0.483 0.000 1.323 195 c CA 0.163 56.296 56.329 -0.326 0.000 1.894 195 c CB -0.841 41.535 42.510 -0.223 0.000 2.681 195 c HN 1.016 nan 8.230 nan 0.000 0.613 196 G N 2.074 110.609 108.800 -0.441 0.000 2.405 196 G HA2 0.511 4.471 3.960 0.001 0.000 0.303 196 G HA3 0.511 4.471 3.960 0.001 0.000 0.303 196 G C -0.372 174.327 174.900 -0.336 0.000 1.644 196 G CA 0.017 44.836 45.100 -0.468 0.000 0.899 196 G HN 1.036 nan 8.290 nan 0.000 0.667 197 G N 0.295 108.968 108.800 -0.212 0.000 3.137 197 G HA2 0.434 4.395 3.960 0.001 0.000 0.163 197 G HA3 0.434 4.395 3.960 0.001 0.000 0.163 197 G C 0.173 175.220 174.900 0.245 0.000 1.602 197 G CA -0.527 44.575 45.100 0.003 0.000 1.067 197 G HN 0.688 nan 8.290 nan 0.000 0.568 198 N N 0.782 119.628 118.700 0.242 0.000 2.412 198 N HA 0.288 5.029 4.740 0.001 0.000 0.258 198 N C 1.218 176.734 175.510 0.011 0.000 1.236 198 N CA 1.306 54.413 53.050 0.094 0.000 0.882 198 N CB 0.935 39.441 38.487 0.033 0.000 1.066 198 N HN 1.024 nan 8.380 nan 0.000 0.465 199 G N 1.315 110.115 108.800 -0.000 0.000 2.205 199 G HA2 -0.281 3.679 3.960 0.001 0.000 0.261 199 G HA3 -0.281 3.679 3.960 0.001 0.000 0.261 199 G C 0.802 175.696 174.900 -0.010 0.000 0.980 199 G CA 0.480 45.592 45.100 0.019 0.000 0.632 199 G HN 0.568 nan 8.290 nan 0.000 0.533 200 I N -0.712 119.801 120.570 -0.095 0.000 3.565 200 I HA 0.231 4.401 4.170 0.001 0.000 0.287 200 I C 1.140 177.211 176.117 -0.077 0.000 1.193 200 I CA 0.285 61.444 61.300 -0.235 0.000 1.402 200 I CB 0.227 37.922 38.000 -0.508 0.000 1.284 200 I HN 0.037 nan 8.210 nan 0.000 0.454 201 N N 0.872 119.579 118.700 0.013 0.000 2.497 201 N HA 0.081 4.821 4.740 0.001 0.000 0.284 201 N C -0.044 175.566 175.510 0.166 0.000 1.459 201 N CA 0.086 53.172 53.050 0.060 0.000 0.899 201 N CB 0.571 39.050 38.487 -0.012 0.000 1.316 201 N HN 0.116 nan 8.380 nan 0.000 0.500 202 D N 0.224 120.655 120.400 0.052 0.000 2.182 202 D HA -0.073 4.568 4.640 0.001 0.000 0.201 202 D C 1.468 177.730 176.300 -0.064 0.000 0.986 202 D CA 1.124 55.081 54.000 -0.071 0.000 0.847 202 D CB 0.189 40.938 40.800 -0.086 0.000 0.942 202 D HN 0.108 nan 8.370 nan 0.000 0.467 203 S N 0.366 116.039 115.700 -0.046 0.000 2.442 203 S HA -0.067 4.404 4.470 0.001 0.000 0.236 203 S C 2.085 176.672 174.600 -0.021 0.000 1.007 203 S CA 0.283 58.440 58.200 -0.072 0.000 0.965 203 S CB -0.106 63.000 63.200 -0.156 0.000 0.773 203 S HN 0.314 nan 8.310 nan 0.000 0.504 204 L N 0.936 122.184 121.223 0.042 0.000 2.191 204 L HA -0.078 4.263 4.340 0.001 0.000 0.212 204 L C 2.179 179.110 176.870 0.102 0.000 1.103 204 L CA 1.028 55.932 54.840 0.106 0.000 0.769 204 L CB -0.357 41.830 42.059 0.215 0.000 0.908 204 L HN 0.269 nan 8.230 nan 0.000 0.438 205 K N -0.228 120.184 120.400 0.019 0.000 2.360 205 K HA -0.135 4.185 4.320 0.001 0.000 0.201 205 K C 1.657 178.244 176.600 -0.022 0.000 1.046 205 K CA 0.680 56.931 56.287 -0.059 0.000 0.945 205 K CB 0.057 32.412 32.500 -0.241 0.000 0.750 205 K HN 0.280 nan 8.250 nan 0.000 0.464 206 E N 0.346 120.545 120.200 -0.002 0.000 2.418 206 E HA -0.046 4.305 4.350 0.001 0.000 0.197 206 E C 0.234 176.849 176.600 0.024 0.000 1.026 206 E CA 0.673 57.082 56.400 0.015 0.000 0.862 206 E CB 0.061 29.784 29.700 0.038 0.000 0.799 206 E HN 0.312 nan 8.360 nan 0.000 0.518 207 I N 1.567 122.154 120.570 0.028 0.000 2.362 207 I HA 0.084 4.254 4.170 0.001 0.000 0.289 207 I C 0.418 176.548 176.117 0.022 0.000 0.994 207 I CA -0.660 60.649 61.300 0.015 0.000 1.158 207 I CB 1.586 39.583 38.000 -0.005 0.000 1.315 207 I HN -0.198 nan 8.210 nan 0.000 0.451 208 E N 4.883 125.089 120.200 0.010 0.000 2.529 208 E HA 0.104 4.454 4.350 0.001 0.000 0.259 208 E C 1.327 177.936 176.600 0.015 0.000 0.966 208 E CA 1.252 57.659 56.400 0.013 0.000 0.937 208 E CB 0.304 30.006 29.700 0.003 0.000 0.923 208 E HN 0.878 nan 8.360 nan 0.000 0.468 209 G N 3.001 111.824 108.800 0.038 0.000 2.220 209 G HA2 -0.410 3.551 3.960 0.001 0.000 0.269 209 G HA3 -0.410 3.551 3.960 0.001 0.000 0.269 209 G C 1.083 176.029 174.900 0.075 0.000 0.977 209 G CA 0.851 45.977 45.100 0.045 0.000 0.634 209 G HN 0.600 nan 8.290 nan 0.000 0.539 210 S N -0.881 114.877 115.700 0.098 0.000 2.371 210 S HA 0.101 4.571 4.470 0.001 0.000 0.224 210 S C 1.971 176.733 174.600 0.269 0.000 1.029 210 S CA 1.644 59.940 58.200 0.159 0.000 0.978 210 S CB -0.265 63.020 63.200 0.142 0.000 0.833 210 S HN 0.837 nan 8.310 nan 0.000 0.466 211 F N 2.065 122.054 119.950 0.066 0.000 2.146 211 F HA -0.071 4.456 4.527 0.001 0.000 0.298 211 F C 2.195 178.012 175.800 0.027 0.000 1.096 211 F CA 1.751 59.765 58.000 0.024 0.000 1.275 211 F CB -0.401 38.592 39.000 -0.012 0.000 1.008 211 F HN 0.236 nan 8.300 nan 0.000 0.480 212 Q N 0.674 120.589 119.800 0.192 0.000 2.119 212 Q HA -0.071 4.270 4.340 0.001 0.000 0.201 212 Q C 2.428 178.428 176.000 0.000 0.000 0.972 212 Q CA 1.656 57.501 55.803 0.071 0.000 0.847 212 Q CB -0.791 28.014 28.738 0.112 0.000 0.903 212 Q HN 0.496 nan 8.270 nan 0.000 0.433 213 A N 0.526 123.378 122.820 0.054 0.000 1.902 213 A HA -0.172 4.149 4.320 0.001 0.000 0.217 213 A C 2.032 179.665 177.584 0.082 0.000 1.181 213 A CA 1.366 53.448 52.037 0.076 0.000 0.623 213 A CB -0.701 18.350 19.000 0.086 0.000 0.818 213 A HN 0.368 nan 8.150 nan 0.000 0.443 214 L N -0.484 120.768 121.223 0.047 0.000 2.046 214 L HA -0.173 4.167 4.340 0.001 0.000 0.208 214 L C 2.389 179.139 176.870 -0.201 0.000 1.077 214 L CA 2.105 56.883 54.840 -0.104 0.000 0.747 214 L CB -0.582 41.287 42.059 -0.317 0.000 0.896 214 L HN 0.362 nan 8.230 nan 0.000 0.432 215 Q N -0.395 119.215 119.800 -0.317 0.000 2.170 215 Q HA -0.228 4.112 4.340 0.001 0.000 0.203 215 Q C 2.357 178.289 176.000 -0.114 0.000 0.976 215 Q CA 1.586 57.226 55.803 -0.272 0.000 0.858 215 Q CB -0.534 28.017 28.738 -0.313 0.000 0.907 215 Q HN 0.573 nan 8.270 nan 0.000 0.433 216 R N 0.200 120.666 120.500 -0.057 0.000 2.062 216 R HA -0.060 4.280 4.340 0.001 0.000 0.229 216 R C 2.446 178.767 176.300 0.036 0.000 1.128 216 R CA 1.346 57.446 56.100 0.001 0.000 0.960 216 R CB -0.185 30.129 30.300 0.023 0.000 0.855 216 R HN 0.174 nan 8.270 nan 0.000 0.432 217 S N -0.348 115.385 115.700 0.055 0.000 2.383 217 S HA -0.155 4.315 4.470 0.001 0.000 0.229 217 S C 1.564 176.225 174.600 0.101 0.000 1.030 217 S CA 1.443 59.710 58.200 0.111 0.000 1.002 217 S CB -0.239 63.036 63.200 0.126 0.000 0.829 217 S HN 0.611 nan 8.310 nan 0.000 0.467 218 c N 2.010 120.618 118.600 0.013 0.000 2.625 218 c HA 0.343 4.914 4.570 0.001 0.000 0.285 218 c C 0.890 174.980 174.090 -0.000 0.000 1.279 218 c CA -0.713 55.612 56.329 -0.008 0.000 1.698 218 c CB -2.039 40.408 42.510 -0.105 0.000 1.821 218 c HN 0.669 nan 8.230 nan 0.000 0.600 219 Q N 0.658 120.469 119.800 0.018 0.000 2.274 219 Q HA 0.341 4.682 4.340 0.001 0.000 0.280 219 Q C 1.290 177.310 176.000 0.033 0.000 1.047 219 Q CA 1.326 57.137 55.803 0.015 0.000 0.907 219 Q CB 0.205 28.956 28.738 0.022 0.000 1.171 219 Q HN 0.639 nan 8.270 nan 0.000 0.381 220 G N 3.508 112.320 108.800 0.021 0.000 2.184 220 G HA2 -0.344 3.617 3.960 0.001 0.000 0.264 220 G HA3 -0.344 3.617 3.960 0.001 0.000 0.264 220 G C 0.037 174.960 174.900 0.039 0.000 0.975 220 G CA 0.504 45.622 45.100 0.030 0.000 0.642 220 G HN 0.656 nan 8.290 nan 0.000 0.536 221 R N 0.837 121.359 120.500 0.036 0.000 2.589 221 R HA 0.542 4.882 4.340 0.001 0.000 0.293 221 R C 0.140 176.449 176.300 0.015 0.000 0.963 221 R CA -0.700 55.431 56.100 0.051 0.000 0.905 221 R CB 0.825 31.174 30.300 0.082 0.000 1.144 221 R HN 0.361 nan 8.270 nan 0.000 0.459 222 E N 2.225 122.442 120.200 0.028 0.000 2.413 222 E HA -0.021 4.329 4.350 0.001 0.000 0.263 222 E C -0.613 175.973 176.600 -0.023 0.000 1.015 222 E CA -0.087 56.324 56.400 0.018 0.000 0.916 222 E CB 0.541 30.272 29.700 0.052 0.000 0.947 222 E HN 0.472 nan 8.360 nan 0.000 0.440 223 D N 1.065 121.427 120.400 -0.064 0.000 2.419 223 D HA -0.055 4.586 4.640 0.001 0.000 0.236 223 D C 0.288 176.531 176.300 -0.094 0.000 1.165 223 D CA 0.502 54.362 54.000 -0.234 0.000 0.882 223 D CB 0.179 40.779 40.800 -0.334 0.000 1.201 223 D HN 0.455 nan 8.370 nan 0.000 0.443 224 F N -2.053 117.834 119.950 -0.104 0.000 2.656 224 F HA -0.277 4.251 4.527 0.001 0.000 0.381 224 F C 0.865 176.695 175.800 0.051 0.000 0.603 224 F CA 0.680 58.638 58.000 -0.070 0.000 1.335 224 F CB -1.453 37.507 39.000 -0.066 0.000 1.836 224 F HN 0.198 nan 8.300 nan 0.000 0.290 225 K N 1.193 121.643 120.400 0.082 0.000 2.118 225 K HA 0.636 4.957 4.320 0.001 0.000 0.267 225 K C 0.403 177.002 176.600 -0.003 0.000 0.991 225 K CA -0.390 55.942 56.287 0.075 0.000 0.916 225 K CB 2.030 34.565 32.500 0.058 0.000 1.041 225 K HN 0.045 nan 8.250 nan 0.000 0.455 226 V N -0.982 118.913 119.914 -0.031 0.000 3.003 226 V HA 0.401 4.522 4.120 0.001 0.000 0.305 226 V C 0.285 176.240 176.094 -0.231 0.000 1.078 226 V CA -0.247 61.967 62.300 -0.143 0.000 1.083 226 V CB 1.462 33.108 31.823 -0.296 0.000 1.039 226 V HN 0.794 nan 8.190 nan 0.000 0.481 227 S N 1.293 116.811 115.700 -0.303 0.000 2.973 227 S HA 0.731 5.201 4.470 0.001 0.000 0.317 227 S C -1.053 173.391 174.600 -0.260 0.000 1.196 227 S CA -0.856 57.030 58.200 -0.524 0.000 0.894 227 S CB 1.347 64.364 63.200 -0.305 0.000 1.292 227 S HN 0.760 nan 8.310 nan 0.000 0.614 228 I N 1.498 121.996 120.570 -0.121 0.000 2.465 228 I HA 0.378 4.549 4.170 0.001 0.000 0.291 228 I C 0.914 177.162 176.117 0.218 0.000 1.014 228 I CA -0.431 60.964 61.300 0.159 0.000 1.093 228 I CB 1.940 40.068 38.000 0.215 0.000 1.267 228 I HN 0.867 nan 8.210 nan 0.000 0.431 229 H N 3.412 122.579 119.070 0.161 0.000 2.372 229 H HA -0.025 4.531 4.556 0.001 0.000 0.301 229 H C 0.145 175.572 175.328 0.164 0.000 1.065 229 H CA 0.715 56.850 56.048 0.144 0.000 1.364 229 H CB 0.652 30.530 29.762 0.193 0.000 1.406 229 H HN 0.510 nan 8.280 nan 0.000 0.521 230 D N -0.621 119.949 120.400 0.282 0.000 2.404 230 D HA 0.134 4.775 4.640 0.001 0.000 0.267 230 D C -2.125 174.299 176.300 0.207 0.000 1.194 230 D CA -2.347 51.786 54.000 0.221 0.000 0.910 230 D CB 1.370 42.312 40.800 0.238 0.000 1.090 230 D HN 0.113 nan 8.370 nan 0.000 0.511 231 P HA -0.047 nan 4.420 nan 0.000 0.220 231 P C 1.294 178.672 177.300 0.131 0.000 1.148 231 P CA 0.379 63.561 63.100 0.136 0.000 0.803 231 P CB 0.093 31.908 31.700 0.192 0.000 0.782 232 F N 1.304 121.311 119.950 0.094 0.000 2.051 232 F HA -0.171 4.356 4.527 0.001 0.000 0.296 232 F C 2.237 178.089 175.800 0.087 0.000 1.122 232 F CA 1.779 59.839 58.000 0.101 0.000 1.201 232 F CB -1.013 38.069 39.000 0.137 0.000 0.978 232 F HN -0.123 nan 8.300 nan 0.000 0.472 233 A N 0.161 123.017 122.820 0.061 0.000 1.933 233 A HA -0.030 4.291 4.320 0.001 0.000 0.218 233 A C 2.341 179.862 177.584 -0.105 0.000 1.175 233 A CA 1.797 53.786 52.037 -0.079 0.000 0.628 233 A CB -1.529 17.527 19.000 0.094 0.000 0.814 233 A HN 0.528 nan 8.150 nan 0.000 0.444 234 A N -1.347 121.414 122.820 -0.099 0.000 1.929 234 A HA 0.267 4.587 4.320 0.001 0.000 0.216 234 A C 1.898 179.242 177.584 -0.399 0.000 1.176 234 A CA 1.441 53.288 52.037 -0.317 0.000 0.628 234 A CB -0.193 18.400 19.000 -0.679 0.000 0.816 234 A HN 0.454 nan 8.150 nan 0.000 0.444 235 L N -3.042 118.016 121.223 -0.275 0.000 3.076 235 L HA 0.184 4.525 4.340 0.001 0.000 0.271 235 L C 1.990 178.810 176.870 -0.084 0.000 1.152 235 L CA 0.296 55.040 54.840 -0.159 0.000 0.996 235 L CB 0.429 42.434 42.059 -0.089 0.000 1.453 235 L HN 0.301 nan 8.230 nan 0.000 0.571 236 Q N -0.672 119.003 119.800 -0.208 0.000 2.313 236 Q HA 0.121 4.461 4.340 0.001 0.000 0.263 236 Q C 0.426 176.163 176.000 -0.439 0.000 0.820 236 Q CA -0.138 55.542 55.803 -0.204 0.000 0.974 236 Q CB 1.287 30.024 28.738 -0.000 0.000 1.156 236 Q HN 0.059 nan 8.270 nan 0.000 0.517 237 K N 1.768 121.641 120.400 -0.879 0.000 2.447 237 K HA 0.250 4.571 4.320 0.001 0.000 0.281 237 K C -0.566 175.874 176.600 -0.268 0.000 1.031 237 K CA -0.162 55.660 56.287 -0.775 0.000 1.019 237 K CB 0.606 32.645 32.500 -0.769 0.000 0.918 237 K HN 0.083 nan 8.250 nan 0.000 0.476 238 A N 4.631 127.390 122.820 -0.101 0.000 2.511 238 A HA 0.096 4.417 4.320 0.001 0.000 0.242 238 A C -0.497 177.049 177.584 -0.062 0.000 1.069 238 A CA 0.105 52.117 52.037 -0.042 0.000 0.763 238 A CB 0.398 19.411 19.000 0.021 0.000 1.001 238 A HN 0.726 nan 8.150 nan 0.000 0.498 239 Q N 0.580 120.340 119.800 -0.067 0.000 2.511 239 Q HA 0.298 4.638 4.340 0.001 0.000 0.289 239 Q C -0.903 175.055 176.000 -0.070 0.000 1.021 239 Q CA -0.930 54.828 55.803 -0.075 0.000 0.785 239 Q CB 1.579 30.257 28.738 -0.100 0.000 1.472 239 Q HN 0.817 nan 8.270 nan 0.000 0.411 240 K N 0.013 120.367 120.400 -0.076 0.000 2.491 240 K HA 0.110 4.431 4.320 0.001 0.000 0.279 240 K C 0.908 177.458 176.600 -0.083 0.000 1.026 240 K CA 1.730 57.973 56.287 -0.073 0.000 1.070 240 K CB -0.245 32.206 32.500 -0.081 0.000 0.887 240 K HN 0.816 nan 8.250 nan 0.000 0.481 241 G N 1.866 110.622 108.800 -0.073 0.000 2.268 241 G HA2 -0.286 3.674 3.960 0.001 0.000 0.240 241 G HA3 -0.286 3.674 3.960 0.001 0.000 0.240 241 G C 0.063 174.917 174.900 -0.076 0.000 1.010 241 G CA 0.204 45.255 45.100 -0.081 0.000 0.618 241 G HN 0.971 nan 8.290 nan 0.000 0.516 242 V N -2.650 117.224 119.914 -0.067 0.000 2.502 242 V HA 0.791 4.912 4.120 0.001 0.000 0.261 242 V C 0.540 176.610 176.094 -0.040 0.000 0.996 242 V CA 0.648 62.915 62.300 -0.055 0.000 1.095 242 V CB 0.346 32.139 31.823 -0.050 0.000 1.325 242 V HN 0.153 nan 8.190 nan 0.000 0.574 243 T N 1.087 115.621 114.554 -0.032 0.000 2.985 243 T HA 0.490 4.840 4.350 0.001 0.000 0.254 243 T C 1.052 175.759 174.700 0.012 0.000 1.021 243 T CA 0.799 62.895 62.100 -0.008 0.000 0.957 243 T CB 0.341 69.203 68.868 -0.011 0.000 1.047 243 T HN 0.911 nan 8.240 nan 0.000 0.511 244 A N 1.924 124.730 122.820 -0.022 0.000 2.401 244 A HA 0.374 4.694 4.320 0.001 0.000 0.259 244 A C 1.397 178.955 177.584 -0.042 0.000 1.103 244 A CA -0.671 51.340 52.037 -0.042 0.000 0.789 244 A CB 0.067 18.991 19.000 -0.126 0.000 1.035 244 A HN 0.716 nan 8.150 nan 0.000 0.491 245 W N 2.750 124.037 121.300 -0.022 0.000 2.350 245 W HA -0.182 4.478 4.660 0.001 0.000 0.289 245 W C 0.092 176.589 176.519 -0.037 0.000 1.215 245 W CA 1.498 58.832 57.345 -0.019 0.000 1.236 245 W CB -0.477 28.975 29.460 -0.013 0.000 1.130 245 W HN 0.761 nan 8.180 nan 0.000 0.541 246 D N 0.176 120.065 120.400 -0.852 0.000 2.339 246 D HA -0.045 4.596 4.640 0.001 0.000 0.217 246 D C -0.277 175.743 176.300 -0.466 0.000 1.050 246 D CA -0.009 53.431 54.000 -0.934 0.000 0.856 246 D CB -0.906 38.991 40.800 -1.505 0.000 0.922 246 D HN -0.141 nan 8.370 nan 0.000 0.518 247 D N 2.046 122.267 120.400 -0.298 0.000 2.434 247 D HA 0.033 4.674 4.640 0.001 0.000 0.252 247 D C -1.364 174.809 176.300 -0.210 0.000 1.185 247 D CA -1.282 52.601 54.000 -0.196 0.000 0.886 247 D CB 1.652 42.389 40.800 -0.104 0.000 1.148 247 D HN 0.047 nan 8.370 nan 0.000 0.483 248 P HA -0.083 nan 4.420 nan 0.000 0.218 248 P C -0.545 176.466 177.300 -0.481 0.000 1.149 248 P CA 1.076 63.867 63.100 -0.515 0.000 0.817 248 P CB 0.219 31.400 31.700 -0.865 0.000 0.785 249 Y N -0.936 119.404 120.300 0.066 0.000 2.376 249 Y HA 0.491 5.041 4.550 0.001 0.000 0.340 249 Y C 0.857 176.765 175.900 0.013 0.000 0.965 249 Y CA -1.060 57.085 58.100 0.076 0.000 1.078 249 Y CB 1.604 40.150 38.460 0.143 0.000 1.193 249 Y HN -0.286 nan 8.280 nan 0.000 0.452 250 K N 0.698 121.165 120.400 0.112 0.000 1.995 250 K HA 0.807 5.127 4.320 0.001 0.000 0.244 250 K C 0.262 176.826 176.600 -0.059 0.000 1.045 250 K CA -0.734 55.553 56.287 -0.001 0.000 0.905 250 K CB 1.167 33.644 32.500 -0.039 0.000 1.543 250 K HN 0.782 nan 8.250 nan 0.000 0.609 251 G N 0.977 109.698 108.800 -0.131 0.000 2.601 251 G HA2 -0.295 3.666 3.960 0.001 0.000 0.261 251 G HA3 -0.295 3.666 3.960 0.001 0.000 0.261 251 G C 0.208 175.047 174.900 -0.103 0.000 1.289 251 G CA 0.385 45.387 45.100 -0.164 0.000 0.920 251 G HN 0.596 nan 8.290 nan 0.000 0.571 252 N N -0.588 118.093 118.700 -0.031 0.000 2.188 252 N HA -0.023 4.718 4.740 0.001 0.000 0.184 252 N C 2.066 177.542 175.510 -0.057 0.000 1.018 252 N CA 1.794 54.868 53.050 0.040 0.000 0.858 252 N CB -0.344 38.373 38.487 0.384 0.000 0.989 252 N HN 0.395 nan 8.380 nan 0.000 0.426 253 F N 1.159 120.871 119.950 -0.396 0.000 2.163 253 F HA 0.095 4.623 4.527 0.001 0.000 0.297 253 F C 2.565 177.937 175.800 -0.714 0.000 1.094 253 F CA 0.631 58.208 58.000 -0.705 0.000 1.290 253 F CB -1.235 37.408 39.000 -0.595 0.000 1.017 253 F HN 0.049 nan 8.300 nan 0.000 0.483 254 G N -0.801 107.908 108.800 -0.152 0.000 2.418 254 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 254 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 254 G C 1.564 176.323 174.900 -0.235 0.000 1.158 254 G CA 0.497 45.534 45.100 -0.105 0.000 0.771 254 G HN 0.346 nan 8.290 nan 0.000 0.545 255 Q N -0.340 119.310 119.800 -0.249 0.000 2.119 255 Q HA 0.099 4.440 4.340 0.001 0.000 0.201 255 Q C 2.648 178.428 176.000 -0.367 0.000 0.972 255 Q CA 0.586 56.229 55.803 -0.267 0.000 0.847 255 Q CB -0.180 28.417 28.738 -0.236 0.000 0.903 255 Q HN 0.445 nan 8.270 nan 0.000 0.433 256 L N -0.071 120.830 121.223 -0.537 0.000 2.131 256 L HA -0.178 4.162 4.340 0.001 0.000 0.210 256 L C 2.381 178.848 176.870 -0.671 0.000 1.092 256 L CA 0.913 55.365 54.840 -0.646 0.000 0.759 256 L CB -0.298 41.246 42.059 -0.858 0.000 0.903 256 L HN 0.297 nan 8.230 nan 0.000 0.435 257 M N -0.660 118.460 119.600 -0.800 0.000 2.086 257 M HA -0.187 4.293 4.480 0.001 0.000 0.261 257 M C 2.530 178.666 176.300 -0.273 0.000 1.067 257 M CA 1.971 56.980 55.300 -0.484 0.000 1.116 257 M CB -0.507 31.889 32.600 -0.339 0.000 1.348 257 M HN 0.310 nan 8.290 nan 0.000 0.407 258 A N 0.059 122.719 122.820 -0.267 0.000 1.930 258 A HA -0.120 4.201 4.320 0.001 0.000 0.217 258 A C 2.094 179.582 177.584 -0.161 0.000 1.175 258 A CA 1.172 53.087 52.037 -0.204 0.000 0.627 258 A CB -0.746 18.139 19.000 -0.192 0.000 0.815 258 A HN 0.417 nan 8.150 nan 0.000 0.443 259 L N -0.407 120.716 121.223 -0.166 0.000 2.046 259 L HA -0.124 4.216 4.340 0.001 0.000 0.208 259 L C 2.247 179.102 176.870 -0.025 0.000 1.077 259 L CA 2.396 57.190 54.840 -0.078 0.000 0.747 259 L CB -0.386 41.603 42.059 -0.116 0.000 0.896 259 L HN 0.278 nan 8.230 nan 0.000 0.432 260 K N -0.747 119.607 120.400 -0.077 0.000 2.097 260 K HA -0.157 4.164 4.320 0.001 0.000 0.206 260 K C 2.095 178.666 176.600 -0.048 0.000 1.049 260 K CA 1.297 57.563 56.287 -0.033 0.000 0.933 260 K CB -0.181 32.303 32.500 -0.027 0.000 0.717 260 K HN 0.366 nan 8.250 nan 0.000 0.442 261 Q N -0.559 119.189 119.800 -0.087 0.000 2.124 261 Q HA -0.037 4.304 4.340 0.001 0.000 0.202 261 Q C 2.026 177.946 176.000 -0.134 0.000 0.977 261 Q CA 1.570 57.312 55.803 -0.102 0.000 0.850 261 Q CB -0.308 28.358 28.738 -0.121 0.000 0.901 261 Q HN 0.394 nan 8.270 nan 0.000 0.429 262 A N 0.306 123.024 122.820 -0.170 0.000 2.016 262 A HA -0.083 4.238 4.320 0.001 0.000 0.217 262 A C 0.644 177.898 177.584 -0.550 0.000 1.162 262 A CA 0.757 52.593 52.037 -0.336 0.000 0.662 262 A CB -0.011 18.781 19.000 -0.348 0.000 0.812 262 A HN 0.271 nan 8.150 nan 0.000 0.450 263 H N -1.002 118.032 119.070 -0.061 0.000 2.380 263 H HA 0.197 4.754 4.556 0.001 0.000 0.231 263 H C -2.198 173.102 175.328 -0.047 0.000 1.415 263 H CA -1.367 54.652 56.048 -0.048 0.000 1.433 263 H CB 0.780 30.513 29.762 -0.048 0.000 1.544 263 H HN 0.327 nan 8.280 nan 0.000 0.503 264 P HA -0.067 nan 4.420 nan 0.000 0.226 264 P C 0.641 177.942 177.300 0.002 0.000 1.153 264 P CA 0.820 63.918 63.100 -0.003 0.000 0.777 264 P CB 0.649 32.334 31.700 -0.025 0.000 0.794 265 D N -0.623 119.788 120.400 0.019 0.000 2.350 265 D HA 0.040 4.681 4.640 0.001 0.000 0.213 265 D C 0.902 177.193 176.300 -0.014 0.000 1.031 265 D CA -0.094 53.908 54.000 0.003 0.000 0.861 265 D CB -0.098 40.710 40.800 0.014 0.000 0.926 265 D HN 0.148 nan 8.370 nan 0.000 0.520 266 L N 1.547 122.773 121.223 0.005 0.000 2.490 266 L HA 0.050 4.391 4.340 0.001 0.000 0.274 266 L C 0.012 176.836 176.870 -0.076 0.000 1.201 266 L CA 0.163 54.978 54.840 -0.042 0.000 0.869 266 L CB 0.300 42.344 42.059 -0.026 0.000 1.123 266 L HN -0.308 nan 8.230 nan 0.000 0.484 267 K N 6.413 126.712 120.400 -0.169 0.000 2.253 267 K HA 0.478 4.799 4.320 0.001 0.000 0.277 267 K C -0.888 175.690 176.600 -0.036 0.000 1.053 267 K CA -0.049 56.144 56.287 -0.157 0.000 0.892 267 K CB 0.818 33.085 32.500 -0.389 0.000 1.102 267 K HN 0.550 nan 8.250 nan 0.000 0.469 268 I N 5.551 126.161 120.570 0.067 0.000 2.330 268 I HA 0.259 4.430 4.170 0.001 0.000 0.289 268 I C -0.605 175.713 176.117 0.335 0.000 1.001 268 I CA -0.650 60.752 61.300 0.171 0.000 1.193 268 I CB 0.738 38.825 38.000 0.144 0.000 1.345 268 I HN 0.348 nan 8.210 nan 0.000 0.461 269 L N 8.416 129.827 121.223 0.313 0.000 2.322 269 L HA 0.538 4.878 4.340 0.001 0.000 0.281 269 L C -2.392 174.586 176.870 0.179 0.000 1.014 269 L CA -2.011 52.988 54.840 0.264 0.000 0.815 269 L CB 2.013 44.215 42.059 0.238 0.000 1.247 269 L HN 0.292 nan 8.230 nan 0.000 0.421 270 P HA 0.064 nan 4.420 nan 0.000 0.282 270 P C -0.664 176.674 177.300 0.064 0.000 1.262 270 P CA -0.227 62.676 63.100 -0.327 0.000 0.773 270 P CB 1.568 32.672 31.700 -0.994 0.000 0.879 271 S N 3.752 119.628 115.700 0.292 0.000 2.438 271 S HA 0.464 4.935 4.470 0.001 0.000 0.293 271 S C -0.079 174.844 174.600 0.539 0.000 1.141 271 S CA -0.749 57.737 58.200 0.476 0.000 1.080 271 S CB -0.419 63.227 63.200 0.744 0.000 0.978 271 S HN 0.237 nan 8.310 nan 0.000 0.479 272 I N 5.265 126.096 120.570 0.434 0.000 2.321 272 I HA 0.591 4.762 4.170 0.001 0.000 0.291 272 I C 1.022 177.376 176.117 0.396 0.000 0.998 272 I CA 0.001 61.520 61.300 0.364 0.000 1.227 272 I CB 0.956 39.169 38.000 0.356 0.000 1.368 272 I HN 0.956 nan 8.210 nan 0.000 0.466 273 G N 4.259 113.159 108.800 0.166 0.000 2.541 273 G HA2 0.308 4.268 3.960 0.001 0.000 0.208 273 G HA3 0.308 4.268 3.960 0.001 0.000 0.208 273 G C 0.047 174.578 174.900 -0.615 0.000 1.191 273 G CA 0.018 45.123 45.100 0.009 0.000 1.217 273 G HN 1.477 nan 8.290 nan 0.000 0.566 274 G N -1.916 106.510 108.800 -0.623 0.000 2.757 274 G HA2 0.007 3.968 3.960 0.001 0.000 0.638 274 G HA3 0.007 3.968 3.960 0.001 0.000 0.638 274 G C 0.867 175.545 174.900 -0.369 0.000 1.344 274 G CA 0.533 45.077 45.100 -0.926 0.000 0.855 274 G HN 1.907 nan 8.290 nan 0.000 0.537 275 W N 0.107 121.171 121.300 -0.393 0.000 2.318 275 W HA -0.215 4.445 4.660 0.001 0.000 0.313 275 W C 2.477 178.888 176.519 -0.180 0.000 1.221 275 W CA 3.404 60.595 57.345 -0.256 0.000 1.266 275 W CB -0.407 28.941 29.460 -0.187 0.000 1.150 275 W HN 1.028 nan 8.180 nan 0.000 0.496 276 T N -2.072 112.426 114.554 -0.094 0.000 3.060 276 T HA 0.125 4.475 4.350 0.001 0.000 0.249 276 T C 1.340 175.950 174.700 -0.150 0.000 1.079 276 T CA 0.213 62.236 62.100 -0.128 0.000 1.013 276 T CB -0.364 68.502 68.868 -0.003 0.000 0.975 276 T HN 0.130 nan 8.240 nan 0.000 0.518 277 L N 0.611 121.716 121.223 -0.196 0.000 3.122 277 L HA 0.419 4.759 4.340 0.001 0.000 0.274 277 L C 1.696 178.432 176.870 -0.223 0.000 1.222 277 L CA -0.168 54.550 54.840 -0.205 0.000 1.028 277 L CB 0.482 42.426 42.059 -0.193 0.000 1.386 277 L HN 0.140 nan 8.230 nan 0.000 0.578 278 S N -0.411 115.199 115.700 -0.151 0.000 2.528 278 S HA -0.061 4.410 4.470 0.001 0.000 0.219 278 S C 1.182 175.778 174.600 -0.008 0.000 0.985 278 S CA 0.302 58.495 58.200 -0.011 0.000 0.914 278 S CB 0.056 63.297 63.200 0.068 0.000 0.776 278 S HN 0.399 nan 8.310 nan 0.000 0.526 279 D N 2.187 122.610 120.400 0.039 0.000 2.158 279 D HA -0.077 4.564 4.640 0.001 0.000 0.197 279 D C -0.911 175.563 176.300 0.290 0.000 0.995 279 D CA 1.191 55.356 54.000 0.275 0.000 0.846 279 D CB -1.546 39.357 40.800 0.172 0.000 0.941 279 D HN 0.339 nan 8.370 nan 0.000 0.456 280 P HA -0.069 nan 4.420 nan 0.000 0.222 280 P C 1.095 178.369 177.300 -0.042 0.000 1.147 280 P CA 0.656 63.784 63.100 0.048 0.000 0.790 280 P CB -0.097 31.369 31.700 -0.390 0.000 0.780 281 F N -2.003 117.624 119.950 -0.538 0.000 2.216 281 F HA -0.103 4.424 4.527 0.001 0.000 0.300 281 F C 1.768 176.951 175.800 -1.029 0.000 1.085 281 F CA 1.117 58.401 58.000 -1.193 0.000 1.326 281 F CB -1.432 36.097 39.000 -2.451 0.000 1.027 281 F HN -0.115 nan 8.300 nan 0.000 0.497 282 F N -1.746 118.035 119.950 -0.281 0.000 2.546 282 F HA -0.091 4.436 4.527 0.001 0.000 0.298 282 F C 1.601 177.123 175.800 -0.462 0.000 1.120 282 F CA 0.755 58.625 58.000 -0.216 0.000 1.456 282 F CB -1.010 37.848 39.000 -0.237 0.000 1.088 282 F HN -0.089 nan 8.300 nan 0.000 0.572 283 F N -1.639 118.328 119.950 0.028 0.000 2.749 283 F HA 0.122 4.649 4.527 0.001 0.000 0.300 283 F C 1.883 177.537 175.800 -0.244 0.000 1.103 283 F CA 0.256 58.198 58.000 -0.098 0.000 1.342 283 F CB -0.572 38.335 39.000 -0.156 0.000 1.098 283 F HN -0.115 nan 8.300 nan 0.000 0.586 284 M N -0.077 119.451 119.600 -0.120 0.000 2.659 284 M HA 0.064 4.545 4.480 0.001 0.000 0.243 284 M C 2.189 178.451 176.300 -0.062 0.000 1.111 284 M CA 0.476 55.683 55.300 -0.155 0.000 1.070 284 M CB -0.513 31.973 32.600 -0.190 0.000 1.525 284 M HN 0.257 nan 8.290 nan 0.000 0.517 285 G N 0.052 108.838 108.800 -0.023 0.000 2.509 285 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 285 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 285 G C 0.361 175.252 174.900 -0.014 0.000 1.124 285 G CA 0.249 45.354 45.100 0.008 0.000 0.776 285 G HN 0.352 nan 8.290 nan 0.000 0.547 286 D N 0.198 120.570 120.400 -0.047 0.000 2.344 286 D HA 0.110 4.750 4.640 0.001 0.000 0.253 286 D C 1.424 177.685 176.300 -0.065 0.000 1.255 286 D CA -0.221 53.745 54.000 -0.058 0.000 0.894 286 D CB 0.816 41.561 40.800 -0.090 0.000 1.067 286 D HN 0.156 nan 8.370 nan 0.000 0.492 287 K N 2.682 123.064 120.400 -0.030 0.000 2.209 287 K HA -0.102 4.218 4.320 0.001 0.000 0.204 287 K C 1.584 178.172 176.600 -0.020 0.000 1.048 287 K CA 0.676 56.953 56.287 -0.016 0.000 0.940 287 K CB 0.243 32.743 32.500 -0.000 0.000 0.729 287 K HN 0.321 nan 8.250 nan 0.000 0.451 288 V N 1.589 121.485 119.914 -0.032 0.000 2.282 288 V HA -0.309 3.812 4.120 0.001 0.000 0.249 288 V C 2.107 178.175 176.094 -0.044 0.000 1.057 288 V CA 2.015 64.298 62.300 -0.028 0.000 1.032 288 V CB -0.393 31.414 31.823 -0.027 0.000 0.645 288 V HN 0.370 nan 8.190 nan 0.000 0.447 289 K N -0.403 119.919 120.400 -0.129 0.000 2.057 289 K HA -0.156 4.164 4.320 0.001 0.000 0.206 289 K C 2.420 178.981 176.600 -0.065 0.000 1.050 289 K CA 1.351 57.507 56.287 -0.218 0.000 0.935 289 K CB -0.245 31.851 32.500 -0.673 0.000 0.715 289 K HN 0.282 nan 8.250 nan 0.000 0.439 290 R N 1.207 121.677 120.500 -0.049 0.000 2.081 290 R HA -0.158 4.183 4.340 0.001 0.000 0.235 290 R C 1.492 177.870 176.300 0.130 0.000 1.131 290 R CA 1.877 58.016 56.100 0.065 0.000 0.960 290 R CB -0.037 30.284 30.300 0.036 0.000 0.856 290 R HN 0.126 nan 8.270 nan 0.000 0.436 291 D N -0.228 120.211 120.400 0.065 0.000 2.117 291 D HA -0.189 4.452 4.640 0.001 0.000 0.197 291 D C 1.859 178.198 176.300 0.064 0.000 0.987 291 D CA 1.052 55.084 54.000 0.053 0.000 0.829 291 D CB -0.229 40.588 40.800 0.028 0.000 0.961 291 D HN 0.219 nan 8.370 nan 0.000 0.460 292 R N -0.502 120.047 120.500 0.081 0.000 2.091 292 R HA -0.162 4.179 4.340 0.001 0.000 0.238 292 R C 2.290 178.670 176.300 0.134 0.000 1.136 292 R CA 0.959 57.117 56.100 0.098 0.000 0.959 292 R CB -0.437 29.933 30.300 0.117 0.000 0.856 292 R HN 0.188 nan 8.270 nan 0.000 0.437 293 F N 0.786 120.755 119.950 0.032 0.000 2.075 293 F HA -0.187 4.341 4.527 0.001 0.000 0.297 293 F C 1.949 177.756 175.800 0.011 0.000 1.113 293 F CA 1.523 59.536 58.000 0.023 0.000 1.218 293 F CB -0.624 38.388 39.000 0.019 0.000 0.984 293 F HN -0.213 nan 8.300 nan 0.000 0.472 294 V N 0.839 120.679 119.914 -0.123 0.000 2.332 294 V HA -0.278 3.842 4.120 0.001 0.000 0.248 294 V C 2.768 178.745 176.094 -0.195 0.000 1.055 294 V CA 2.052 64.210 62.300 -0.237 0.000 1.038 294 V CB -1.759 30.042 31.823 -0.037 0.000 0.651 294 V HN 0.595 nan 8.190 nan 0.000 0.450 295 G N -0.153 108.592 108.800 -0.092 0.000 2.432 295 G HA2 -0.263 3.698 3.960 0.001 0.000 0.219 295 G HA3 -0.263 3.698 3.960 0.001 0.000 0.219 295 G C 1.863 176.726 174.900 -0.062 0.000 1.135 295 G CA 1.294 46.359 45.100 -0.059 0.000 0.767 295 G HN 0.651 nan 8.290 nan 0.000 0.550 296 S N 0.149 115.799 115.700 -0.083 0.000 2.402 296 S HA -0.057 4.413 4.470 0.001 0.000 0.229 296 S C 2.284 176.838 174.600 -0.076 0.000 1.021 296 S CA 1.318 59.492 58.200 -0.043 0.000 0.974 296 S CB -0.313 62.873 63.200 -0.024 0.000 0.800 296 S HN 0.091 nan 8.310 nan 0.000 0.484 297 V N 2.295 122.047 119.914 -0.269 0.000 2.358 297 V HA -0.125 3.996 4.120 0.001 0.000 0.246 297 V C 2.780 178.841 176.094 -0.056 0.000 1.047 297 V CA 2.109 64.266 62.300 -0.238 0.000 1.035 297 V CB -0.791 30.761 31.823 -0.451 0.000 0.658 297 V HN 0.555 nan 8.190 nan 0.000 0.452 298 K N 0.186 120.530 120.400 -0.093 0.000 2.032 298 K HA -0.273 4.048 4.320 0.001 0.000 0.209 298 K C 2.276 178.867 176.600 -0.015 0.000 1.048 298 K CA 2.108 58.350 56.287 -0.075 0.000 0.927 298 K CB -0.163 32.288 32.500 -0.082 0.000 0.712 298 K HN 0.600 nan 8.250 nan 0.000 0.441 299 E N -0.326 119.887 120.200 0.022 0.000 2.077 299 E HA -0.221 4.129 4.350 0.001 0.000 0.193 299 E C 1.903 178.566 176.600 0.105 0.000 0.989 299 E CA 1.108 57.537 56.400 0.048 0.000 0.800 299 E CB -0.224 29.518 29.700 0.070 0.000 0.746 299 E HN 0.375 nan 8.360 nan 0.000 0.452 300 F N 1.117 121.093 119.950 0.043 0.000 2.134 300 F HA -0.148 4.379 4.527 0.001 0.000 0.299 300 F C 1.917 177.804 175.800 0.146 0.000 1.097 300 F CA 1.328 59.430 58.000 0.170 0.000 1.264 300 F CB 0.010 39.114 39.000 0.173 0.000 1.001 300 F HN 0.011 nan 8.300 nan 0.000 0.479 301 L N -0.369 120.985 121.223 0.218 0.000 2.156 301 L HA -0.176 4.165 4.340 0.001 0.000 0.208 301 L C 2.342 179.210 176.870 -0.004 0.000 1.095 301 L CA 1.065 55.970 54.840 0.109 0.000 0.770 301 L CB -0.701 41.370 42.059 0.020 0.000 0.914 301 L HN 0.209 nan 8.230 nan 0.000 0.439 302 Q N -0.804 118.967 119.800 -0.048 0.000 2.172 302 Q HA -0.126 4.214 4.340 0.001 0.000 0.200 302 Q C 2.100 177.998 176.000 -0.169 0.000 0.964 302 Q CA 1.717 57.473 55.803 -0.078 0.000 0.855 302 Q CB 0.002 28.699 28.738 -0.068 0.000 0.918 302 Q HN 0.454 nan 8.270 nan 0.000 0.444 303 T N -0.623 113.754 114.554 -0.296 0.000 2.851 303 T HA -0.085 4.265 4.350 0.001 0.000 0.262 303 T C -0.153 174.060 174.700 -0.812 0.000 1.043 303 T CA 0.761 62.483 62.100 -0.629 0.000 1.140 303 T CB -0.047 68.305 68.868 -0.859 0.000 0.872 303 T HN 0.305 nan 8.240 nan 0.000 0.446 304 W N 2.354 123.507 121.300 -0.246 0.000 2.351 304 W HA 0.467 5.127 4.660 0.001 0.000 0.320 304 W C 0.837 177.133 176.519 -0.372 0.000 0.947 304 W CA -1.002 56.136 57.345 -0.345 0.000 1.565 304 W CB 0.411 29.517 29.460 -0.591 0.000 1.409 304 W HN -0.018 nan 8.180 nan 0.000 0.399 305 K N 1.158 121.545 120.400 -0.021 0.000 2.439 305 K HA -0.104 4.217 4.320 0.001 0.000 0.197 305 K C 1.482 178.071 176.600 -0.019 0.000 1.041 305 K CA 0.907 57.197 56.287 0.004 0.000 0.970 305 K CB -0.110 32.414 32.500 0.041 0.000 0.773 305 K HN 0.559 nan 8.250 nan 0.000 0.479 306 F N -0.578 119.291 119.950 -0.135 0.000 2.502 306 F HA 0.128 4.655 4.527 0.001 0.000 0.298 306 F C 0.377 176.046 175.800 -0.218 0.000 1.111 306 F CA -0.393 57.467 58.000 -0.233 0.000 1.445 306 F CB -0.418 38.347 39.000 -0.391 0.000 1.081 306 F HN -0.289 nan 8.300 nan 0.000 0.558 307 F N 2.249 121.794 119.950 -0.674 0.000 2.399 307 F HA 0.206 4.734 4.527 0.001 0.000 0.342 307 F C 0.996 176.770 175.800 -0.044 0.000 1.106 307 F CA -0.969 56.808 58.000 -0.373 0.000 1.196 307 F CB 0.398 39.174 39.000 -0.373 0.000 1.163 307 F HN 0.006 nan 8.300 nan 0.000 0.547 308 D N 1.893 122.446 120.400 0.255 0.000 2.463 308 D HA 0.346 4.986 4.640 0.001 0.000 0.224 308 D C 0.905 177.400 176.300 0.325 0.000 1.174 308 D CA 0.371 54.477 54.000 0.176 0.000 0.829 308 D CB 0.543 41.373 40.800 0.051 0.000 0.993 308 D HN 0.737 nan 8.370 nan 0.000 0.497 309 G N -0.397 108.639 108.800 0.394 0.000 2.373 309 G HA2 0.193 4.154 3.960 0.001 0.000 0.250 309 G HA3 0.193 4.154 3.960 0.001 0.000 0.250 309 G C -1.912 173.091 174.900 0.172 0.000 1.304 309 G CA -0.205 45.085 45.100 0.318 0.000 0.948 309 G HN 0.150 nan 8.290 nan 0.000 0.474 310 V N 0.348 120.351 119.914 0.149 0.000 2.891 310 V HA 0.672 4.792 4.120 0.001 0.000 0.304 310 V C -1.922 174.277 176.094 0.176 0.000 1.171 310 V CA -0.214 62.150 62.300 0.107 0.000 0.943 310 V CB 2.031 33.880 31.823 0.043 0.000 1.037 310 V HN 1.111 nan 8.190 nan 0.000 0.427 311 D N 5.578 126.107 120.400 0.215 0.000 2.256 311 D HA 0.499 5.139 4.640 0.001 0.000 0.240 311 D C -0.756 175.734 176.300 0.317 0.000 1.062 311 D CA -0.390 53.791 54.000 0.303 0.000 0.832 311 D CB 1.265 42.284 40.800 0.365 0.000 1.135 311 D HN 0.404 nan 8.370 nan 0.000 0.484 312 I N 3.595 124.335 120.570 0.284 0.000 2.328 312 I HA 0.200 4.371 4.170 0.001 0.000 0.287 312 I C -0.227 176.035 176.117 0.242 0.000 1.012 312 I CA -0.497 60.949 61.300 0.243 0.000 1.195 312 I CB 1.190 39.241 38.000 0.085 0.000 1.350 312 I HN 0.457 nan 8.210 nan 0.000 0.464 313 D N 7.506 128.072 120.400 0.277 0.000 2.514 313 D HA 0.064 4.705 4.640 0.001 0.000 0.267 313 D C -0.798 175.594 176.300 0.153 0.000 1.165 313 D CA -0.339 53.814 54.000 0.255 0.000 0.958 313 D CB 0.336 41.336 40.800 0.333 0.000 0.992 313 D HN 0.334 nan 8.370 nan 0.000 0.506 314 W N 3.321 124.469 121.300 -0.254 0.000 2.332 314 W HA 0.368 5.028 4.660 0.001 0.000 0.306 314 W C -0.776 175.571 176.519 -0.285 0.000 1.149 314 W CA -0.999 56.064 57.345 -0.470 0.000 1.271 314 W CB 0.311 29.216 29.460 -0.924 0.000 1.243 314 W HN 0.210 nan 8.180 nan 0.000 0.459 315 E N 6.789 126.997 120.200 0.014 0.000 2.256 315 E HA 0.328 4.679 4.350 0.001 0.000 0.243 315 E C -1.408 174.862 176.600 -0.549 0.000 0.925 315 E CA -0.357 55.553 56.400 -0.817 0.000 0.748 315 E CB 0.782 29.886 29.700 -0.994 0.000 1.206 315 E HN 0.148 nan 8.360 nan 0.000 0.428 316 F N 1.103 121.161 119.950 0.180 0.000 2.631 316 F HA 0.364 4.891 4.527 0.001 0.000 0.308 316 F C -2.439 173.023 175.800 -0.563 0.000 1.097 316 F CA -2.896 54.964 58.000 -0.233 0.000 0.952 316 F CB 1.279 40.210 39.000 -0.115 0.000 1.307 316 F HN 0.124 nan 8.300 nan 0.000 0.450 317 P HA 0.201 nan 4.420 nan 0.000 0.261 317 P C 0.654 177.817 177.300 -0.229 0.000 1.183 317 P CA 1.482 64.000 63.100 -0.970 0.000 0.761 317 P CB 0.403 31.421 31.700 -1.137 0.000 0.785 318 G N 2.116 110.951 108.800 0.058 0.000 2.232 318 G HA2 0.052 4.013 3.960 0.001 0.000 0.226 318 G HA3 0.052 4.013 3.960 0.001 0.000 0.226 318 G C 0.552 175.540 174.900 0.146 0.000 0.996 318 G CA 0.071 45.218 45.100 0.078 0.000 0.626 318 G HN 1.008 nan 8.290 nan 0.000 0.509 319 G N -0.155 108.833 108.800 0.313 0.000 2.482 319 G HA2 0.283 4.243 3.960 0.001 0.000 0.214 319 G HA3 0.283 4.243 3.960 0.001 0.000 0.214 319 G C 0.334 175.371 174.900 0.228 0.000 1.271 319 G CA 0.744 45.949 45.100 0.176 0.000 0.944 319 G HN 1.580 nan 8.290 nan 0.000 0.568 320 K N -1.369 119.102 120.400 0.119 0.000 3.281 320 K HA -0.119 4.202 4.320 0.001 0.000 0.295 320 K C 1.225 178.020 176.600 0.325 0.000 1.233 320 K CA 2.267 58.657 56.287 0.172 0.000 0.866 320 K CB -1.597 30.982 32.500 0.133 0.000 1.265 320 K HN 1.732 nan 8.250 nan 0.000 0.482 321 G N -0.640 108.234 108.800 0.123 0.000 2.630 321 G HA2 0.513 4.473 3.960 0.001 0.000 0.223 321 G HA3 0.513 4.473 3.960 0.001 0.000 0.223 321 G C 1.176 175.633 174.900 -0.738 0.000 1.434 321 G CA -0.124 44.740 45.100 -0.393 0.000 1.057 321 G HN 0.218 nan 8.290 nan 0.000 0.570 322 A N -0.716 121.251 122.820 -1.422 0.000 1.933 322 A HA 0.003 4.324 4.320 0.001 0.000 0.218 322 A C 1.467 178.845 177.584 -0.342 0.000 1.175 322 A CA 1.080 52.554 52.037 -0.939 0.000 0.628 322 A CB -0.422 17.890 19.000 -1.146 0.000 0.814 322 A HN 0.437 nan 8.150 nan 0.000 0.444 323 N N 0.287 118.794 118.700 -0.321 0.000 2.420 323 N HA 0.209 4.949 4.740 0.001 0.000 0.249 323 N C -2.071 173.323 175.510 -0.194 0.000 1.033 323 N CA -1.866 51.056 53.050 -0.213 0.000 0.944 323 N CB 1.481 39.842 38.487 -0.211 0.000 1.113 323 N HN 0.095 nan 8.380 nan 0.000 0.502 324 P HA 0.033 nan 4.420 nan 0.000 0.233 324 P C 0.042 177.271 177.300 -0.118 0.000 1.167 324 P CA 0.652 63.697 63.100 -0.093 0.000 0.770 324 P CB 0.565 32.239 31.700 -0.043 0.000 0.837 325 N N -0.445 118.168 118.700 -0.144 0.000 2.280 325 N HA 0.160 4.901 4.740 0.001 0.000 0.192 325 N C 0.504 175.877 175.510 -0.228 0.000 1.109 325 N CA 0.230 53.195 53.050 -0.142 0.000 0.855 325 N CB 0.603 39.033 38.487 -0.094 0.000 0.974 325 N HN 0.275 nan 8.380 nan 0.000 0.482 326 L N -0.534 120.458 121.223 -0.385 0.000 2.319 326 L HA 0.745 5.085 4.340 0.001 0.000 0.267 326 L C 0.317 176.758 176.870 -0.716 0.000 1.011 326 L CA -0.864 53.568 54.840 -0.681 0.000 0.818 326 L CB 2.084 43.462 42.059 -1.136 0.000 1.316 326 L HN 0.030 nan 8.230 nan 0.000 0.432 327 G N 0.658 109.094 108.800 -0.607 0.000 2.957 327 G HA2 0.202 4.163 3.960 0.001 0.000 0.636 327 G HA3 0.202 4.163 3.960 0.001 0.000 0.636 327 G C -1.254 173.638 174.900 -0.013 0.000 1.401 327 G CA -0.189 44.828 45.100 -0.139 0.000 0.941 327 G HN 0.696 nan 8.290 nan 0.000 0.610 328 S N 3.134 118.898 115.700 0.107 0.000 2.564 328 S HA 0.869 5.339 4.470 0.001 0.000 0.274 328 S C -1.737 172.893 174.600 0.050 0.000 1.124 328 S CA -0.924 57.308 58.200 0.054 0.000 0.869 328 S CB 2.250 65.483 63.200 0.055 0.000 1.105 328 S HN 0.279 nan 8.310 nan 0.000 0.472 329 P HA -0.082 nan 4.420 nan 0.000 0.221 329 P C 1.091 178.394 177.300 0.006 0.000 1.145 329 P CA 0.923 64.023 63.100 0.001 0.000 0.795 329 P CB 0.069 31.765 31.700 -0.006 0.000 0.775 330 Q N -0.387 119.430 119.800 0.029 0.000 2.436 330 Q HA -0.129 4.212 4.340 0.001 0.000 0.209 330 Q C 1.086 177.126 176.000 0.067 0.000 0.965 330 Q CA 0.760 56.587 55.803 0.040 0.000 0.910 330 Q CB -0.246 28.521 28.738 0.048 0.000 0.980 330 Q HN 0.175 nan 8.270 nan 0.000 0.491 331 D N -0.352 120.095 120.400 0.078 0.000 2.144 331 D HA -0.129 4.512 4.640 0.001 0.000 0.199 331 D C 1.644 177.920 176.300 -0.041 0.000 0.984 331 D CA 1.330 55.391 54.000 0.101 0.000 0.834 331 D CB -0.435 40.391 40.800 0.043 0.000 0.955 331 D HN 0.458 nan 8.370 nan 0.000 0.465 332 G N 0.717 109.450 108.800 -0.113 0.000 2.446 332 G HA2 -0.313 3.647 3.960 0.001 0.000 0.217 332 G HA3 -0.313 3.647 3.960 0.001 0.000 0.217 332 G C 1.472 176.352 174.900 -0.033 0.000 1.168 332 G CA 0.873 45.880 45.100 -0.156 0.000 0.771 332 G HN 0.342 nan 8.290 nan 0.000 0.551 333 E N -0.214 119.989 120.200 0.005 0.000 2.072 333 E HA -0.122 4.229 4.350 0.001 0.000 0.191 333 E C 2.561 179.213 176.600 0.086 0.000 0.985 333 E CA 1.452 57.872 56.400 0.034 0.000 0.801 333 E CB -0.146 29.569 29.700 0.025 0.000 0.750 333 E HN 0.360 nan 8.360 nan 0.000 0.452 334 T N 0.119 114.753 114.554 0.134 0.000 2.720 334 T HA -0.213 4.137 4.350 0.001 0.000 0.268 334 T C 1.456 176.312 174.700 0.260 0.000 1.037 334 T CA 1.513 63.730 62.100 0.195 0.000 1.144 334 T CB -0.565 68.473 68.868 0.282 0.000 0.864 334 T HN 0.345 nan 8.240 nan 0.000 0.444 335 Y N 1.581 121.977 120.300 0.160 0.000 2.128 335 Y HA -0.196 4.354 4.550 0.001 0.000 0.284 335 Y C 2.354 178.275 175.900 0.036 0.000 1.154 335 Y CA 1.064 59.231 58.100 0.111 0.000 1.149 335 Y CB -0.535 37.825 38.460 -0.168 0.000 0.976 335 Y HN -0.031 nan 8.280 nan 0.000 0.505 336 V N 0.277 120.309 119.914 0.197 0.000 2.358 336 V HA -0.315 3.805 4.120 0.001 0.000 0.246 336 V C 2.376 178.487 176.094 0.029 0.000 1.047 336 V CA 1.976 64.333 62.300 0.096 0.000 1.035 336 V CB -0.687 31.178 31.823 0.071 0.000 0.658 336 V HN 0.436 nan 8.190 nan 0.000 0.452 337 L N -0.871 120.378 121.223 0.043 0.000 2.046 337 L HA -0.177 4.163 4.340 0.001 0.000 0.208 337 L C 2.447 179.330 176.870 0.022 0.000 1.077 337 L CA 1.215 56.074 54.840 0.032 0.000 0.747 337 L CB -0.626 41.458 42.059 0.042 0.000 0.896 337 L HN 0.335 nan 8.230 nan 0.000 0.432 338 L N -0.621 120.614 121.223 0.020 0.000 2.042 338 L HA -0.231 4.109 4.340 0.001 0.000 0.210 338 L C 2.485 179.338 176.870 -0.029 0.000 1.076 338 L CA 1.902 56.753 54.840 0.019 0.000 0.749 338 L CB -0.401 41.666 42.059 0.013 0.000 0.893 338 L HN 0.170 nan 8.230 nan 0.000 0.432 339 M N -0.526 119.000 119.600 -0.123 0.000 2.132 339 M HA -0.188 4.292 4.480 0.001 0.000 0.263 339 M C 2.281 178.562 176.300 -0.031 0.000 1.065 339 M CA 1.633 56.867 55.300 -0.111 0.000 1.122 339 M CB -1.199 31.303 32.600 -0.162 0.000 1.365 339 M HN 0.349 nan 8.290 nan 0.000 0.411 340 K N 0.736 121.127 120.400 -0.015 0.000 2.057 340 K HA -0.179 4.141 4.320 0.001 0.000 0.207 340 K C 1.720 178.323 176.600 0.006 0.000 1.049 340 K CA 1.628 57.916 56.287 0.002 0.000 0.931 340 K CB 0.064 32.570 32.500 0.009 0.000 0.714 340 K HN 0.352 nan 8.250 nan 0.000 0.440 341 E N 0.532 120.739 120.200 0.011 0.000 2.107 341 E HA -0.118 4.232 4.350 0.001 0.000 0.191 341 E C 2.057 178.660 176.600 0.005 0.000 0.982 341 E CA 0.888 57.296 56.400 0.013 0.000 0.809 341 E CB 0.020 29.736 29.700 0.027 0.000 0.756 341 E HN 0.270 nan 8.360 nan 0.000 0.459 342 L N 0.488 121.717 121.223 0.010 0.000 2.046 342 L HA -0.179 4.161 4.340 0.001 0.000 0.208 342 L C 2.639 179.504 176.870 -0.009 0.000 1.077 342 L CA 1.073 55.911 54.840 -0.003 0.000 0.747 342 L CB -0.230 41.840 42.059 0.018 0.000 0.896 342 L HN 0.040 nan 8.230 nan 0.000 0.432 343 R N 0.515 121.016 120.500 0.001 0.000 2.081 343 R HA -0.157 4.183 4.340 0.001 0.000 0.235 343 R C 2.224 178.525 176.300 0.002 0.000 1.131 343 R CA 1.639 57.743 56.100 0.007 0.000 0.960 343 R CB -0.427 29.879 30.300 0.010 0.000 0.856 343 R HN 0.312 nan 8.270 nan 0.000 0.436 344 A N 0.677 123.496 122.820 -0.001 0.000 1.930 344 A HA -0.133 4.187 4.320 0.001 0.000 0.217 344 A C 2.190 179.765 177.584 -0.015 0.000 1.175 344 A CA 1.487 53.523 52.037 -0.002 0.000 0.627 344 A CB -0.594 18.406 19.000 -0.000 0.000 0.815 344 A HN 0.488 nan 8.150 nan 0.000 0.443 345 M N -0.058 119.526 119.600 -0.028 0.000 2.117 345 M HA -0.077 4.404 4.480 0.001 0.000 0.262 345 M C 1.878 178.129 176.300 -0.081 0.000 1.065 345 M CA 1.727 56.995 55.300 -0.054 0.000 1.114 345 M CB -0.795 31.764 32.600 -0.069 0.000 1.361 345 M HN 0.429 nan 8.290 nan 0.000 0.408 346 L N -0.080 121.099 121.223 -0.072 0.000 2.141 346 L HA -0.221 4.119 4.340 0.001 0.000 0.209 346 L C 2.039 178.900 176.870 -0.015 0.000 1.094 346 L CA 0.877 55.661 54.840 -0.092 0.000 0.763 346 L CB -0.913 41.140 42.059 -0.011 0.000 0.908 346 L HN 0.240 nan 8.230 nan 0.000 0.437 347 D N -0.262 120.143 120.400 0.009 0.000 2.092 347 D HA -0.193 4.448 4.640 0.001 0.000 0.193 347 D C 2.331 178.644 176.300 0.021 0.000 0.994 347 D CA 1.066 55.084 54.000 0.029 0.000 0.828 347 D CB -0.128 40.683 40.800 0.019 0.000 0.963 347 D HN 0.233 nan 8.370 nan 0.000 0.450 348 Q N -0.022 119.774 119.800 -0.006 0.000 2.061 348 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 348 Q C 2.372 178.365 176.000 -0.012 0.000 0.984 348 Q CA 0.701 56.498 55.803 -0.010 0.000 0.846 348 Q CB -0.618 28.105 28.738 -0.025 0.000 0.902 348 Q HN 0.259 nan 8.270 nan 0.000 0.421 349 L N 0.571 121.757 121.223 -0.063 0.000 2.046 349 L HA -0.125 4.215 4.340 0.001 0.000 0.208 349 L C 2.461 179.376 176.870 0.074 0.000 1.077 349 L CA 2.006 56.785 54.840 -0.102 0.000 0.747 349 L CB -0.876 40.944 42.059 -0.399 0.000 0.896 349 L HN 0.137 nan 8.230 nan 0.000 0.432 350 S N -0.923 114.874 115.700 0.162 0.000 2.382 350 S HA -0.155 4.315 4.470 0.001 0.000 0.228 350 S C 2.176 176.866 174.600 0.150 0.000 1.027 350 S CA 1.148 59.525 58.200 0.295 0.000 0.991 350 S CB -0.387 62.974 63.200 0.269 0.000 0.823 350 S HN 0.585 nan 8.310 nan 0.000 0.469 351 A N 1.051 123.925 122.820 0.090 0.000 1.902 351 A HA -0.098 4.223 4.320 0.001 0.000 0.217 351 A C 1.977 179.594 177.584 0.055 0.000 1.181 351 A CA 1.745 53.817 52.037 0.058 0.000 0.623 351 A CB -0.756 18.266 19.000 0.037 0.000 0.818 351 A HN 0.731 nan 8.150 nan 0.000 0.443 352 E N -0.918 119.315 120.200 0.055 0.000 2.106 352 E HA -0.117 4.234 4.350 0.001 0.000 0.192 352 E C 2.030 178.668 176.600 0.063 0.000 0.984 352 E CA 1.624 58.051 56.400 0.046 0.000 0.806 352 E CB -0.142 29.577 29.700 0.030 0.000 0.750 352 E HN 0.842 nan 8.360 nan 0.000 0.458 353 T N -4.232 110.384 114.554 0.103 0.000 2.990 353 T HA 0.284 4.634 4.350 0.001 0.000 0.250 353 T C 1.628 176.373 174.700 0.074 0.000 1.041 353 T CA 0.357 62.521 62.100 0.106 0.000 1.010 353 T CB 0.788 69.768 68.868 0.187 0.000 1.003 353 T HN 0.244 nan 8.240 nan 0.000 0.499 354 G N 1.941 110.784 108.800 0.072 0.000 2.189 354 G HA2 -0.283 3.678 3.960 0.001 0.000 0.267 354 G HA3 -0.283 3.678 3.960 0.001 0.000 0.267 354 G C 0.170 175.075 174.900 0.009 0.000 0.975 354 G CA 0.225 45.349 45.100 0.039 0.000 0.644 354 G HN 0.711 nan 8.290 nan 0.000 0.537 355 R N -0.074 120.421 120.500 -0.008 0.000 2.573 355 R HA 0.586 4.927 4.340 0.001 0.000 0.272 355 R C 0.380 176.557 176.300 -0.204 0.000 1.009 355 R CA -0.659 55.339 56.100 -0.170 0.000 1.059 355 R CB 1.003 31.079 30.300 -0.373 0.000 1.112 355 R HN 0.184 nan 8.270 nan 0.000 0.517 356 K N 2.008 122.269 120.400 -0.232 0.000 2.234 356 K HA 0.168 4.489 4.320 0.001 0.000 0.282 356 K C -1.323 175.098 176.600 -0.300 0.000 1.039 356 K CA -0.148 56.054 56.287 -0.143 0.000 0.928 356 K CB 0.555 33.017 32.500 -0.063 0.000 1.039 356 K HN 0.398 nan 8.250 nan 0.000 0.470 357 Y N 1.760 122.086 120.300 0.042 0.000 2.468 357 Y HA 0.275 4.826 4.550 0.001 0.000 0.342 357 Y C 0.028 175.966 175.900 0.064 0.000 1.021 357 Y CA -0.683 57.450 58.100 0.055 0.000 1.079 357 Y CB 1.934 40.422 38.460 0.046 0.000 1.226 357 Y HN 0.540 nan 8.280 nan 0.000 0.460 358 E N 2.166 122.514 120.200 0.246 0.000 2.202 358 E HA 0.483 4.833 4.350 0.001 0.000 0.272 358 E C -1.670 175.041 176.600 0.186 0.000 0.951 358 E CA -1.146 55.373 56.400 0.199 0.000 0.813 358 E CB 2.543 32.396 29.700 0.255 0.000 1.151 358 E HN 0.327 nan 8.360 nan 0.000 0.398 359 L N 2.099 123.396 121.223 0.124 0.000 2.349 359 L HA 0.450 4.790 4.340 0.001 0.000 0.278 359 L C -0.648 176.275 176.870 0.087 0.000 0.996 359 L CA -0.009 54.893 54.840 0.104 0.000 0.825 359 L CB 1.575 43.670 42.059 0.060 0.000 1.243 359 L HN 0.681 nan 8.230 nan 0.000 0.412 360 T N 0.757 115.393 114.554 0.136 0.000 2.865 360 T HA 0.843 5.194 4.350 0.001 0.000 0.294 360 T C -0.700 174.105 174.700 0.176 0.000 1.119 360 T CA -0.751 61.412 62.100 0.105 0.000 1.007 360 T CB 1.656 70.632 68.868 0.181 0.000 1.225 360 T HN 0.667 nan 8.240 nan 0.000 0.515 361 S N -0.520 115.283 115.700 0.172 0.000 2.543 361 S HA 0.679 5.149 4.470 0.001 0.000 0.271 361 S C -1.009 173.778 174.600 0.312 0.000 1.148 361 S CA -0.449 57.917 58.200 0.277 0.000 0.914 361 S CB 1.036 64.421 63.200 0.308 0.000 1.096 361 S HN 1.327 nan 8.310 nan 0.000 0.471 362 A N 4.311 127.361 122.820 0.385 0.000 2.301 362 A HA 0.786 5.106 4.320 0.001 0.000 0.298 362 A C -0.020 177.729 177.584 0.274 0.000 1.185 362 A CA -0.658 51.583 52.037 0.340 0.000 0.830 362 A CB -0.158 19.078 19.000 0.392 0.000 1.112 362 A HN 1.123 nan 8.150 nan 0.000 0.508 363 I N -0.051 120.641 120.570 0.203 0.000 2.892 363 I HA 0.682 4.852 4.170 0.001 0.000 0.306 363 I C 0.089 176.284 176.117 0.130 0.000 1.078 363 I CA -0.737 60.657 61.300 0.156 0.000 1.032 363 I CB 2.058 40.045 38.000 -0.020 0.000 1.229 363 I HN 0.478 nan 8.210 nan 0.000 0.435 364 S N 2.653 118.418 115.700 0.108 0.000 2.558 364 S HA 0.340 4.810 4.470 0.001 0.000 0.288 364 S C 1.018 175.567 174.600 -0.085 0.000 1.318 364 S CA 0.265 58.396 58.200 -0.116 0.000 1.056 364 S CB 0.989 63.842 63.200 -0.579 0.000 0.853 364 S HN 0.898 nan 8.310 nan 0.000 0.505 365 A N 4.069 126.865 122.820 -0.039 0.000 2.275 365 A HA 0.405 4.725 4.320 0.001 0.000 0.212 365 A C 1.073 178.708 177.584 0.085 0.000 1.201 365 A CA 0.263 52.341 52.037 0.068 0.000 0.843 365 A CB -0.614 18.520 19.000 0.222 0.000 0.873 365 A HN 0.972 nan 8.150 nan 0.000 0.492 366 G N -0.330 108.464 108.800 -0.010 0.000 2.380 366 G HA2 0.318 4.279 3.960 0.001 0.000 0.262 366 G HA3 0.318 4.279 3.960 0.001 0.000 0.262 366 G C 0.665 175.589 174.900 0.039 0.000 1.243 366 G CA -0.112 45.024 45.100 0.060 0.000 0.865 366 G HN 0.390 nan 8.290 nan 0.000 0.513 367 K N 1.510 121.952 120.400 0.071 0.000 2.103 367 K HA -0.181 4.139 4.320 0.001 0.000 0.207 367 K C 1.971 178.572 176.600 0.002 0.000 1.048 367 K CA 1.995 58.289 56.287 0.013 0.000 0.930 367 K CB 0.051 32.539 32.500 -0.020 0.000 0.716 367 K HN 0.672 nan 8.250 nan 0.000 0.444 368 D N 0.452 120.867 120.400 0.025 0.000 2.178 368 D HA -0.193 4.448 4.640 0.001 0.000 0.202 368 D C 1.245 177.511 176.300 -0.057 0.000 0.974 368 D CA 1.300 55.295 54.000 -0.007 0.000 0.841 368 D CB -0.100 40.715 40.800 0.026 0.000 0.953 368 D HN 0.309 nan 8.370 nan 0.000 0.478 369 K N -0.022 120.317 120.400 -0.102 0.000 2.166 369 K HA 0.174 4.494 4.320 0.001 0.000 0.201 369 K C 2.472 179.009 176.600 -0.105 0.000 1.052 369 K CA 0.146 56.334 56.287 -0.164 0.000 0.969 369 K CB 0.251 32.545 32.500 -0.344 0.000 0.761 369 K HN 0.121 nan 8.250 nan 0.000 0.459 370 I N 2.546 123.094 120.570 -0.037 0.000 2.286 370 I HA -0.265 3.905 4.170 0.001 0.000 0.248 370 I C 1.377 177.520 176.117 0.042 0.000 1.115 370 I CA 1.428 62.780 61.300 0.086 0.000 1.392 370 I CB -0.373 37.665 38.000 0.062 0.000 1.065 370 I HN 0.250 nan 8.210 nan 0.000 0.418 371 D N -0.192 120.195 120.400 -0.022 0.000 2.336 371 D HA -0.095 4.545 4.640 0.001 0.000 0.229 371 D C 1.538 177.781 176.300 -0.096 0.000 1.061 371 D CA 0.331 54.303 54.000 -0.045 0.000 0.875 371 D CB -0.213 40.568 40.800 -0.032 0.000 0.904 371 D HN 0.077 nan 8.370 nan 0.000 0.525 372 K N 0.013 120.330 120.400 -0.138 0.000 2.418 372 K HA 0.159 4.480 4.320 0.001 0.000 0.195 372 K C 0.030 176.461 176.600 -0.282 0.000 1.035 372 K CA 0.118 56.294 56.287 -0.183 0.000 1.003 372 K CB 0.757 33.141 32.500 -0.193 0.000 0.793 372 K HN 0.166 nan 8.250 nan 0.000 0.494 373 V N 0.468 120.148 119.914 -0.391 0.000 2.789 373 V HA 0.423 4.544 4.120 0.001 0.000 0.311 373 V C -0.623 175.158 176.094 -0.522 0.000 1.073 373 V CA -1.476 60.447 62.300 -0.628 0.000 0.921 373 V CB 1.842 32.865 31.823 -1.333 0.000 1.009 373 V HN 0.027 nan 8.190 nan 0.000 0.426 374 A N 2.923 125.528 122.820 -0.359 0.000 2.922 374 A HA 0.400 4.721 4.320 0.001 0.000 0.298 374 A C 0.335 177.819 177.584 -0.166 0.000 1.588 374 A CA -0.063 51.861 52.037 -0.190 0.000 1.288 374 A CB -0.655 18.290 19.000 -0.092 0.000 1.130 374 A HN 0.830 nan 8.150 nan 0.000 0.557 375 Y N 1.402 121.677 120.300 -0.041 0.000 2.421 375 Y HA -0.208 4.343 4.550 0.001 0.000 0.292 375 Y C 2.365 178.269 175.900 0.007 0.000 1.136 375 Y CA 1.569 59.664 58.100 -0.009 0.000 1.255 375 Y CB -0.195 38.243 38.460 -0.035 0.000 0.991 375 Y HN 0.806 nan 8.280 nan 0.000 0.552 376 N N -0.320 118.453 118.700 0.123 0.000 2.396 376 N HA -0.098 4.642 4.740 0.001 0.000 0.180 376 N C 1.498 177.041 175.510 0.055 0.000 1.028 376 N CA 1.381 54.477 53.050 0.076 0.000 0.893 376 N CB -0.720 37.794 38.487 0.046 0.000 0.967 376 N HN 0.276 nan 8.380 nan 0.000 0.440 377 V N 1.286 121.226 119.914 0.044 0.000 2.426 377 V HA 0.071 4.192 4.120 0.001 0.000 0.242 377 V C 2.820 178.948 176.094 0.058 0.000 1.036 377 V CA 1.401 63.722 62.300 0.036 0.000 1.044 377 V CB -0.939 30.893 31.823 0.016 0.000 0.688 377 V HN 0.413 nan 8.190 nan 0.000 0.462 378 A N 0.946 123.820 122.820 0.090 0.000 1.972 378 A HA -0.286 4.034 4.320 0.001 0.000 0.219 378 A C 2.233 179.894 177.584 0.128 0.000 1.169 378 A CA 1.921 54.039 52.037 0.136 0.000 0.635 378 A CB -0.591 18.571 19.000 0.270 0.000 0.810 378 A HN 0.774 nan 8.150 nan 0.000 0.446 379 Q N -0.323 119.556 119.800 0.132 0.000 2.234 379 Q HA -0.209 4.131 4.340 0.001 0.000 0.206 379 Q C 1.147 177.169 176.000 0.037 0.000 0.980 379 Q CA 1.551 57.404 55.803 0.082 0.000 0.869 379 Q CB -0.566 28.211 28.738 0.065 0.000 0.912 379 Q HN 0.549 nan 8.270 nan 0.000 0.436 380 N N 0.511 119.233 118.700 0.037 0.000 2.443 380 N HA -0.056 4.685 4.740 0.001 0.000 0.184 380 N C 0.996 176.514 175.510 0.013 0.000 1.037 380 N CA 1.298 54.360 53.050 0.019 0.000 0.896 380 N CB 0.041 38.540 38.487 0.020 0.000 0.959 380 N HN 0.296 nan 8.380 nan 0.000 0.442 381 S N -0.169 115.542 115.700 0.020 0.000 2.517 381 S HA 0.258 4.728 4.470 0.001 0.000 0.214 381 S C 0.741 175.343 174.600 0.003 0.000 0.991 381 S CA 0.067 58.274 58.200 0.012 0.000 0.906 381 S CB 0.544 63.751 63.200 0.011 0.000 0.789 381 S HN 0.199 nan 8.310 nan 0.000 0.513 382 M N 1.070 120.668 119.600 -0.004 0.000 2.508 382 M HA 0.368 4.849 4.480 0.001 0.000 0.327 382 M C 0.084 176.323 176.300 -0.102 0.000 1.160 382 M CA -0.518 54.766 55.300 -0.027 0.000 0.980 382 M CB 1.463 34.066 32.600 0.004 0.000 1.693 382 M HN -0.118 nan 8.290 nan 0.000 0.452 383 D N 0.301 120.601 120.400 -0.166 0.000 2.137 383 D HA -0.004 4.636 4.640 0.001 0.000 0.202 383 D C 0.070 175.914 176.300 -0.759 0.000 0.970 383 D CA 1.389 55.136 54.000 -0.422 0.000 0.837 383 D CB 0.384 40.965 40.800 -0.365 0.000 0.981 383 D HN 0.494 nan 8.370 nan 0.000 0.475 384 H N -0.895 118.051 119.070 -0.206 0.000 2.996 384 H HA 0.424 4.980 4.556 0.001 0.000 0.368 384 H C -0.607 174.436 175.328 -0.476 0.000 1.185 384 H CA -0.554 55.245 56.048 -0.414 0.000 1.160 384 H CB 1.895 31.206 29.762 -0.751 0.000 1.820 384 H HN -0.147 nan 8.280 nan 0.000 0.547 385 I N 2.716 123.105 120.570 -0.302 0.000 2.355 385 I HA 0.127 4.298 4.170 0.001 0.000 0.288 385 I C -0.492 175.431 176.117 -0.324 0.000 0.999 385 I CA -0.560 60.582 61.300 -0.263 0.000 1.163 385 I CB 0.601 38.497 38.000 -0.173 0.000 1.316 385 I HN 0.255 nan 8.210 nan 0.000 0.454 386 F N 6.995 126.866 119.950 -0.133 0.000 2.464 386 F HA 0.210 4.737 4.527 0.001 0.000 0.353 386 F C 0.200 175.961 175.800 -0.066 0.000 1.191 386 F CA -0.567 57.192 58.000 -0.403 0.000 1.147 386 F CB 0.315 38.745 39.000 -0.951 0.000 1.294 386 F HN 0.302 nan 8.300 nan 0.000 0.583 387 L N 5.193 126.638 121.223 0.370 0.000 2.369 387 L HA 0.229 4.569 4.340 0.001 0.000 0.279 387 L C 0.264 177.348 176.870 0.357 0.000 1.108 387 L CA 0.236 55.247 54.840 0.285 0.000 0.852 387 L CB 0.292 42.470 42.059 0.198 0.000 1.169 387 L HN 0.505 nan 8.230 nan 0.000 0.452 388 M N 4.742 124.401 119.600 0.098 0.000 3.596 388 M HA 0.098 4.578 4.480 0.001 0.000 0.219 388 M C 0.618 176.456 176.300 -0.769 0.000 1.471 388 M CA -0.001 55.049 55.300 -0.418 0.000 1.644 388 M CB -0.544 31.883 32.600 -0.289 0.000 1.083 388 M HN 0.748 nan 8.290 nan 0.000 0.579 389 S N 1.296 116.690 115.700 -0.510 0.000 4.085 389 S HA 0.281 4.751 4.470 0.001 0.000 0.189 389 S C -0.554 173.593 174.600 -0.756 0.000 1.392 389 S CA -0.487 57.498 58.200 -0.359 0.000 0.972 389 S CB -1.063 62.180 63.200 0.072 0.000 1.482 389 S HN 0.572 nan 8.310 nan 0.000 0.446 390 Y N -3.029 116.780 120.300 -0.818 0.000 2.764 390 Y HA 0.561 5.112 4.550 0.001 0.000 0.331 390 Y C -0.331 175.244 175.900 -0.541 0.000 1.280 390 Y CA -1.665 56.015 58.100 -0.699 0.000 1.065 390 Y CB -0.274 38.014 38.460 -0.288 0.000 1.319 390 Y HN 0.135 nan 8.280 nan 0.000 0.453 391 D N -0.332 120.123 120.400 0.091 0.000 2.911 391 D HA -0.200 4.441 4.640 0.001 0.000 0.227 391 D C 0.474 176.914 176.300 0.233 0.000 1.164 391 D CA 1.151 55.286 54.000 0.225 0.000 0.782 391 D CB -1.247 39.662 40.800 0.180 0.000 1.094 391 D HN 0.500 nan 8.370 nan 0.000 0.425 392 F N -0.676 119.408 119.950 0.222 0.000 2.234 392 F HA 0.016 4.543 4.527 0.001 0.000 0.299 392 F C 1.061 176.819 175.800 -0.071 0.000 1.087 392 F CA 0.876 58.911 58.000 0.058 0.000 1.340 392 F CB -0.212 38.914 39.000 0.209 0.000 1.031 392 F HN 0.088 nan 8.300 nan 0.000 0.500 393 Y N -1.916 118.712 120.300 0.548 0.000 2.655 393 Y HA 0.639 5.190 4.550 0.001 0.000 0.336 393 Y C 0.465 176.351 175.900 -0.023 0.000 1.154 393 Y CA -0.937 57.397 58.100 0.389 0.000 1.055 393 Y CB 1.744 40.485 38.460 0.468 0.000 1.295 393 Y HN -0.114 nan 8.280 nan 0.000 0.465 394 G N -0.513 108.089 108.800 -0.330 0.000 2.317 394 G HA2 0.407 4.367 3.960 0.001 0.000 0.293 394 G HA3 0.407 4.367 3.960 0.001 0.000 0.293 394 G C -0.569 173.772 174.900 -0.933 0.000 1.287 394 G CA -0.215 44.316 45.100 -0.948 0.000 0.850 394 G HN 0.904 nan 8.290 nan 0.000 0.515 395 A N -0.642 121.688 122.820 -0.816 0.000 2.239 395 A HA 0.345 4.666 4.320 0.001 0.000 0.209 395 A C 1.849 179.399 177.584 -0.057 0.000 1.171 395 A CA 1.862 53.678 52.037 -0.368 0.000 0.768 395 A CB -0.924 17.912 19.000 -0.273 0.000 0.790 395 A HN 1.325 nan 8.150 nan 0.000 0.478 396 F N -0.749 119.265 119.950 0.106 0.000 2.502 396 F HA 0.172 4.700 4.527 0.001 0.000 0.298 396 F C 0.362 176.268 175.800 0.176 0.000 1.111 396 F CA 0.007 58.074 58.000 0.112 0.000 1.445 396 F CB -0.265 38.767 39.000 0.053 0.000 1.081 396 F HN 0.165 nan 8.300 nan 0.000 0.558 397 D N 0.627 121.140 120.400 0.188 0.000 2.542 397 D HA 0.258 4.899 4.640 0.001 0.000 0.252 397 D C 0.296 176.772 176.300 0.294 0.000 1.222 397 D CA -0.391 53.775 54.000 0.277 0.000 0.895 397 D CB 1.235 42.236 40.800 0.335 0.000 1.207 397 D HN 0.174 nan 8.370 nan 0.000 0.558 398 L N 2.736 124.088 121.223 0.216 0.000 2.554 398 L HA 0.150 4.490 4.340 0.001 0.000 0.226 398 L C 2.017 178.883 176.870 -0.005 0.000 1.137 398 L CA 0.407 55.335 54.840 0.147 0.000 0.863 398 L CB 0.212 42.357 42.059 0.144 0.000 0.985 398 L HN 0.224 nan 8.230 nan 0.000 0.451 399 K N -0.319 120.100 120.400 0.031 0.000 2.287 399 K HA 0.148 4.468 4.320 0.001 0.000 0.199 399 K C 0.191 176.777 176.600 -0.024 0.000 1.061 399 K CA 0.243 56.528 56.287 -0.004 0.000 0.976 399 K CB 0.539 33.062 32.500 0.039 0.000 0.898 399 K HN 0.237 nan 8.250 nan 0.000 0.492 400 N N 2.118 120.849 118.700 0.051 0.000 2.558 400 N HA 0.234 4.975 4.740 0.001 0.000 0.242 400 N C -0.843 174.722 175.510 0.093 0.000 0.979 400 N CA -0.132 52.975 53.050 0.094 0.000 0.931 400 N CB 1.597 40.220 38.487 0.227 0.000 1.122 400 N HN -0.015 nan 8.380 nan 0.000 0.508 401 L N 0.808 121.911 121.223 -0.199 0.000 2.360 401 L HA 0.840 5.181 4.340 0.001 0.000 0.271 401 L C 1.019 177.610 176.870 -0.464 0.000 1.057 401 L CA -0.720 53.842 54.840 -0.462 0.000 0.803 401 L CB 1.562 43.069 42.059 -0.920 0.000 1.207 401 L HN 0.479 nan 8.230 nan 0.000 0.445 402 G N -0.961 107.532 108.800 -0.511 0.000 2.495 402 G HA2 0.272 4.232 3.960 0.001 0.000 0.294 402 G HA3 0.272 4.232 3.960 0.001 0.000 0.294 402 G C -1.605 172.953 174.900 -0.571 0.000 1.397 402 G CA -0.750 43.684 45.100 -1.112 0.000 0.790 402 G HN 0.445 nan 8.290 nan 0.000 0.486 403 H N 0.651 119.385 119.070 -0.561 0.000 2.803 403 H HA 0.136 4.693 4.556 0.001 0.000 0.330 403 H C 1.416 176.920 175.328 0.294 0.000 1.057 403 H CA 0.654 56.597 56.048 -0.175 0.000 1.458 403 H CB 1.951 31.554 29.762 -0.265 0.000 1.470 403 H HN 0.722 nan 8.280 nan 0.000 0.560 404 Q N 1.444 121.509 119.800 0.442 0.000 2.378 404 Q HA -0.034 4.306 4.340 0.001 0.000 0.205 404 Q C 0.941 177.060 176.000 0.199 0.000 0.954 404 Q CA 1.396 57.449 55.803 0.418 0.000 0.901 404 Q CB 0.599 29.499 28.738 0.270 0.000 0.981 404 Q HN 0.487 nan 8.270 nan 0.000 0.483 405 T N -0.836 113.824 114.554 0.177 0.000 3.641 405 T HA 0.544 4.895 4.350 0.001 0.000 0.313 405 T C -0.336 174.448 174.700 0.140 0.000 0.952 405 T CA 0.050 62.144 62.100 -0.011 0.000 1.004 405 T CB -0.105 68.713 68.868 -0.083 0.000 1.209 405 T HN 0.448 nan 8.240 nan 0.000 0.493 406 A N 0.945 123.915 122.820 0.251 0.000 2.425 406 A HA 0.554 4.875 4.320 0.001 0.000 0.242 406 A C 1.408 179.022 177.584 0.049 0.000 1.077 406 A CA -0.254 51.799 52.037 0.026 0.000 0.781 406 A CB 0.084 19.028 19.000 -0.093 0.000 1.020 406 A HN 0.476 nan 8.150 nan 0.000 0.494 407 L N 1.247 122.413 121.223 -0.094 0.000 2.023 407 L HA 0.026 4.367 4.340 0.001 0.000 0.205 407 L C 0.700 177.458 176.870 -0.187 0.000 1.073 407 L CA 1.665 56.410 54.840 -0.158 0.000 0.745 407 L CB -0.457 41.467 42.059 -0.225 0.000 0.900 407 L HN 0.772 nan 8.230 nan 0.000 0.435 408 N N -1.067 117.519 118.700 -0.191 0.000 2.531 408 N HA 0.494 5.234 4.740 0.001 0.000 0.290 408 N C -0.677 174.706 175.510 -0.212 0.000 1.257 408 N CA -0.027 52.904 53.050 -0.197 0.000 0.863 408 N CB 1.121 39.498 38.487 -0.183 0.000 1.320 408 N HN 0.175 nan 8.380 nan 0.000 0.538 409 A N 1.061 123.744 122.820 -0.228 0.000 2.386 409 A HA 0.422 4.743 4.320 0.001 0.000 0.248 409 A C -2.098 175.259 177.584 -0.378 0.000 1.082 409 A CA -0.766 51.097 52.037 -0.291 0.000 0.789 409 A CB -0.398 18.440 19.000 -0.270 0.000 1.025 409 A HN 0.431 nan 8.150 nan 0.000 0.490 410 P HA 0.299 nan 4.420 nan 0.000 0.278 410 P C 0.592 177.467 177.300 -0.709 0.000 1.258 410 P CA 0.265 62.844 63.100 -0.870 0.000 0.811 410 P CB 1.261 31.805 31.700 -1.928 0.000 1.063 411 A N 1.589 124.143 122.820 -0.444 0.000 1.978 411 A HA -0.165 4.156 4.320 0.001 0.000 0.220 411 A C 1.763 179.297 177.584 -0.083 0.000 1.170 411 A CA 1.669 53.608 52.037 -0.162 0.000 0.636 411 A CB -1.748 17.261 19.000 0.015 0.000 0.810 411 A HN 0.823 nan 8.150 nan 0.000 0.448 412 W N -1.114 120.145 121.300 -0.069 0.000 2.937 412 W HA 0.330 4.990 4.660 0.001 0.000 0.245 412 W C 0.524 176.992 176.519 -0.086 0.000 1.306 412 W CA 0.697 57.998 57.345 -0.073 0.000 1.470 412 W CB 0.080 29.491 29.460 -0.081 0.000 1.132 412 W HN 0.158 nan 8.180 nan 0.000 0.675 413 K N 0.772 120.955 120.400 -0.362 0.000 3.098 413 K HA 0.168 4.489 4.320 0.001 0.000 0.204 413 K C -2.451 173.982 176.600 -0.279 0.000 1.210 413 K CA -0.960 55.185 56.287 -0.237 0.000 0.899 413 K CB 0.864 33.246 32.500 -0.197 0.000 1.176 413 K HN -0.328 nan 8.250 nan 0.000 0.585 414 P HA -0.086 nan 4.420 nan 0.000 0.230 414 P C 0.229 177.430 177.300 -0.164 0.000 1.158 414 P CA 0.795 63.782 63.100 -0.190 0.000 0.769 414 P CB 0.149 31.770 31.700 -0.131 0.000 0.807 415 D N -2.352 117.961 120.400 -0.145 0.000 2.328 415 D HA -0.017 4.623 4.640 0.001 0.000 0.221 415 D C -0.050 176.152 176.300 -0.164 0.000 1.072 415 D CA 0.047 53.966 54.000 -0.135 0.000 0.850 415 D CB -1.347 39.392 40.800 -0.102 0.000 0.922 415 D HN -0.109 nan 8.370 nan 0.000 0.516 416 T N 0.815 115.260 114.554 -0.182 0.000 2.819 416 T HA 0.186 4.537 4.350 0.001 0.000 0.282 416 T C 1.419 175.964 174.700 -0.258 0.000 1.013 416 T CA 0.549 62.543 62.100 -0.177 0.000 1.159 416 T CB 1.110 69.868 68.868 -0.184 0.000 1.007 416 T HN 0.321 nan 8.240 nan 0.000 0.514 417 A N 4.192 126.787 122.820 -0.376 0.000 1.872 417 A HA 0.024 4.345 4.320 0.001 0.000 0.214 417 A C 0.384 177.526 177.584 -0.736 0.000 1.187 417 A CA 0.978 52.622 52.037 -0.655 0.000 0.614 417 A CB -0.270 18.113 19.000 -1.028 0.000 0.826 417 A HN 0.788 nan 8.150 nan 0.000 0.442 418 Y N 1.355 121.461 120.300 -0.324 0.000 2.594 418 Y HA 0.472 5.022 4.550 0.001 0.000 0.342 418 Y C 0.714 175.936 175.900 -1.131 0.000 1.010 418 Y CA -0.396 57.278 58.100 -0.710 0.000 1.270 418 Y CB 0.248 38.345 38.460 -0.605 0.000 1.125 418 Y HN 0.275 nan 8.280 nan 0.000 0.513 419 T N -2.806 111.216 114.554 -0.887 0.000 2.883 419 T HA 0.303 4.654 4.350 0.001 0.000 0.296 419 T C 0.916 175.403 174.700 -0.354 0.000 1.117 419 T CA -0.684 61.024 62.100 -0.654 0.000 1.006 419 T CB 1.621 70.311 68.868 -0.298 0.000 1.191 419 T HN 0.288 nan 8.240 nan 0.000 0.508 420 T N 0.924 115.504 114.554 0.042 0.000 2.708 420 T HA -0.093 4.258 4.350 0.001 0.000 0.266 420 T C 2.054 176.764 174.700 0.016 0.000 1.037 420 T CA 1.515 63.708 62.100 0.155 0.000 1.146 420 T CB -0.395 68.525 68.868 0.087 0.000 0.865 420 T HN 0.478 nan 8.240 nan 0.000 0.435 421 V N 2.433 122.284 119.914 -0.105 0.000 2.407 421 V HA -0.169 3.952 4.120 0.001 0.000 0.248 421 V C 2.391 178.471 176.094 -0.022 0.000 1.055 421 V CA 1.462 63.720 62.300 -0.069 0.000 1.049 421 V CB -0.628 31.108 31.823 -0.145 0.000 0.662 421 V HN 0.439 nan 8.190 nan 0.000 0.455 422 N N 0.842 119.492 118.700 -0.083 0.000 2.166 422 N HA -0.103 4.637 4.740 0.001 0.000 0.186 422 N C 1.868 177.358 175.510 -0.033 0.000 1.019 422 N CA 1.561 54.562 53.050 -0.082 0.000 0.856 422 N CB -0.646 37.749 38.487 -0.153 0.000 0.993 422 N HN 0.514 nan 8.380 nan 0.000 0.426 423 G N 0.430 109.228 108.800 -0.003 0.000 2.394 423 G HA2 -0.134 3.827 3.960 0.001 0.000 0.215 423 G HA3 -0.134 3.827 3.960 0.001 0.000 0.215 423 G C 1.693 176.614 174.900 0.036 0.000 1.165 423 G CA 0.624 45.743 45.100 0.031 0.000 0.784 423 G HN 0.176 nan 8.290 nan 0.000 0.535 424 V N 1.685 121.645 119.914 0.076 0.000 2.295 424 V HA -0.192 3.928 4.120 0.001 0.000 0.246 424 V C 2.668 178.798 176.094 0.059 0.000 1.049 424 V CA 1.897 64.254 62.300 0.094 0.000 1.024 424 V CB -0.507 31.441 31.823 0.208 0.000 0.648 424 V HN 0.289 nan 8.190 nan 0.000 0.447 425 N N 0.588 119.321 118.700 0.056 0.000 2.166 425 N HA -0.118 4.622 4.740 0.001 0.000 0.186 425 N C 1.908 177.426 175.510 0.012 0.000 1.019 425 N CA 1.617 54.685 53.050 0.031 0.000 0.856 425 N CB -0.621 37.877 38.487 0.019 0.000 0.993 425 N HN 0.486 nan 8.380 nan 0.000 0.426 426 A N 1.499 124.322 122.820 0.005 0.000 1.892 426 A HA -0.142 4.179 4.320 0.001 0.000 0.218 426 A C 2.382 179.975 177.584 0.014 0.000 1.188 426 A CA 1.217 53.256 52.037 0.004 0.000 0.631 426 A CB -0.908 18.092 19.000 0.000 0.000 0.822 426 A HN 0.241 nan 8.150 nan 0.000 0.447 427 L N -0.813 120.412 121.223 0.003 0.000 2.017 427 L HA -0.194 4.147 4.340 0.001 0.000 0.208 427 L C 2.636 179.514 176.870 0.015 0.000 1.073 427 L CA 1.281 56.121 54.840 -0.000 0.000 0.745 427 L CB -0.617 41.410 42.059 -0.054 0.000 0.894 427 L HN 0.386 nan 8.230 nan 0.000 0.432 428 L N -0.846 120.383 121.223 0.011 0.000 2.083 428 L HA -0.204 4.137 4.340 0.001 0.000 0.209 428 L C 2.574 179.450 176.870 0.011 0.000 1.083 428 L CA 1.443 56.288 54.840 0.010 0.000 0.752 428 L CB -0.909 41.155 42.059 0.008 0.000 0.899 428 L HN 0.275 nan 8.230 nan 0.000 0.433 429 T N -1.063 113.498 114.554 0.011 0.000 2.867 429 T HA -0.185 4.166 4.350 0.001 0.000 0.268 429 T C 1.872 176.579 174.700 0.012 0.000 1.057 429 T CA 1.013 63.118 62.100 0.008 0.000 1.136 429 T CB -0.107 68.762 68.868 0.003 0.000 0.874 429 T HN 0.394 nan 8.240 nan 0.000 0.466 430 Q N -0.013 119.801 119.800 0.023 0.000 2.224 430 Q HA 0.061 4.402 4.340 0.001 0.000 0.203 430 Q C 1.757 177.773 176.000 0.027 0.000 0.970 430 Q CA 0.933 56.754 55.803 0.030 0.000 0.865 430 Q CB 0.010 28.785 28.738 0.061 0.000 0.922 430 Q HN 0.651 nan 8.270 nan 0.000 0.445 431 G N 0.097 108.911 108.800 0.024 0.000 2.154 431 G HA2 -0.200 3.761 3.960 0.001 0.000 0.186 431 G HA3 -0.200 3.761 3.960 0.001 0.000 0.186 431 G C 0.037 174.952 174.900 0.026 0.000 1.000 431 G CA -0.111 45.001 45.100 0.020 0.000 0.664 431 G HN 0.158 nan 8.290 nan 0.000 0.513 432 V N 1.544 121.478 119.914 0.033 0.000 2.599 432 V HA 0.151 4.272 4.120 0.001 0.000 0.300 432 V C 1.224 177.324 176.094 0.009 0.000 1.034 432 V CA 0.316 62.633 62.300 0.028 0.000 1.115 432 V CB 0.834 32.670 31.823 0.021 0.000 0.934 432 V HN 0.357 nan 8.190 nan 0.000 0.485 433 K N 7.760 128.163 120.400 0.005 0.000 2.412 433 K HA 0.122 4.443 4.320 0.001 0.000 0.281 433 K C -1.306 175.289 176.600 -0.009 0.000 1.027 433 K CA -1.111 55.175 56.287 -0.003 0.000 0.989 433 K CB 0.642 33.139 32.500 -0.004 0.000 0.935 433 K HN 0.452 nan 8.250 nan 0.000 0.475 434 P HA -0.192 nan 4.420 nan 0.000 0.216 434 P C 1.220 178.512 177.300 -0.012 0.000 1.150 434 P CA 1.358 64.446 63.100 -0.021 0.000 0.837 434 P CB 0.046 31.724 31.700 -0.036 0.000 0.786 435 G N 0.282 109.078 108.800 -0.006 0.000 2.498 435 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 435 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 435 G C 1.571 176.485 174.900 0.023 0.000 1.119 435 G CA 0.410 45.517 45.100 0.011 0.000 0.766 435 G HN 0.240 nan 8.290 nan 0.000 0.552 436 K N -0.106 120.293 120.400 -0.002 0.000 2.365 436 K HA 0.164 4.484 4.320 0.001 0.000 0.197 436 K C 0.713 177.304 176.600 -0.015 0.000 1.042 436 K CA 0.049 56.324 56.287 -0.021 0.000 0.987 436 K CB 0.348 32.821 32.500 -0.045 0.000 0.779 436 K HN 0.342 nan 8.250 nan 0.000 0.484 437 I N 2.182 122.752 120.570 -0.001 0.000 2.325 437 I HA 0.066 4.237 4.170 0.001 0.000 0.291 437 I C -0.302 175.853 176.117 0.064 0.000 1.019 437 I CA -0.644 60.661 61.300 0.008 0.000 1.302 437 I CB 1.356 39.365 38.000 0.015 0.000 1.401 437 I HN -0.355 nan 8.210 nan 0.000 0.485 438 V N 7.643 127.613 119.914 0.095 0.000 2.347 438 V HA 0.256 4.377 4.120 0.001 0.000 0.280 438 V C 0.275 176.643 176.094 0.457 0.000 1.021 438 V CA -0.719 61.729 62.300 0.246 0.000 0.847 438 V CB 1.600 33.566 31.823 0.239 0.000 0.990 438 V HN 0.388 nan 8.190 nan 0.000 0.444 439 V N 4.152 124.289 119.914 0.372 0.000 2.686 439 V HA 0.504 4.625 4.120 0.001 0.000 0.295 439 V C 1.059 177.308 176.094 0.258 0.000 1.055 439 V CA 0.109 62.605 62.300 0.327 0.000 1.050 439 V CB 1.553 33.528 31.823 0.253 0.000 0.984 439 V HN 0.963 nan 8.190 nan 0.000 0.482 440 G N 2.803 111.663 108.800 0.100 0.000 2.377 440 G HA2 0.598 4.558 3.960 0.001 0.000 0.299 440 G HA3 0.598 4.558 3.960 0.001 0.000 0.299 440 G C -0.116 174.710 174.900 -0.122 0.000 1.150 440 G CA -0.090 44.770 45.100 -0.400 0.000 0.847 440 G HN 0.842 nan 8.290 nan 0.000 0.501 441 T N -1.402 113.031 114.554 -0.202 0.000 2.908 441 T HA 0.741 5.091 4.350 0.001 0.000 0.290 441 T C -0.166 174.423 174.700 -0.185 0.000 1.034 441 T CA -0.552 61.482 62.100 -0.110 0.000 1.010 441 T CB 2.083 70.882 68.868 -0.114 0.000 1.068 441 T HN 1.047 nan 8.240 nan 0.000 0.481 442 A N 2.891 125.569 122.820 -0.236 0.000 2.292 442 A HA 0.658 4.978 4.320 0.001 0.000 0.319 442 A C 0.655 178.081 177.584 -0.264 0.000 1.206 442 A CA -1.001 50.767 52.037 -0.449 0.000 0.835 442 A CB 0.356 18.841 19.000 -0.857 0.000 1.164 442 A HN 0.977 nan 8.150 nan 0.000 0.505 443 M N 2.328 121.883 119.600 -0.076 0.000 2.631 443 M HA 0.219 4.700 4.480 0.001 0.000 0.241 443 M C -0.900 175.542 176.300 0.237 0.000 1.255 443 M CA 0.305 55.630 55.300 0.043 0.000 0.983 443 M CB -0.710 31.902 32.600 0.019 0.000 1.580 443 M HN 0.752 nan 8.290 nan 0.000 0.464 444 Y N -3.516 116.867 120.300 0.138 0.000 2.638 444 Y HA 0.849 5.400 4.550 0.001 0.000 0.335 444 Y C -0.504 175.521 175.900 0.208 0.000 1.155 444 Y CA -1.819 56.379 58.100 0.164 0.000 1.046 444 Y CB 0.412 38.957 38.460 0.142 0.000 1.303 444 Y HN -0.081 nan 8.280 nan 0.000 0.460 445 G N 1.387 110.344 108.800 0.262 0.000 2.454 445 G HA2 0.718 4.679 3.960 0.001 0.000 0.329 445 G HA3 0.718 4.679 3.960 0.001 0.000 0.329 445 G C -1.350 173.700 174.900 0.251 0.000 1.177 445 G CA -1.468 43.778 45.100 0.242 0.000 0.951 445 G HN 0.679 nan 8.290 nan 0.000 0.485 446 R N -0.612 119.974 120.500 0.142 0.000 2.668 446 R HA 0.747 5.087 4.340 0.001 0.000 0.279 446 R C -0.068 176.076 176.300 -0.261 0.000 0.976 446 R CA -0.507 55.564 56.100 -0.047 0.000 0.978 446 R CB 2.246 32.473 30.300 -0.122 0.000 1.133 446 R HN 0.733 nan 8.270 nan 0.000 0.484 447 G N 0.556 109.086 108.800 -0.449 0.000 2.660 447 G HA2 0.510 4.471 3.960 0.001 0.000 0.290 447 G HA3 0.510 4.471 3.960 0.001 0.000 0.290 447 G C -1.828 172.774 174.900 -0.497 0.000 1.432 447 G CA -0.618 44.221 45.100 -0.435 0.000 0.807 447 G HN 0.357 nan 8.290 nan 0.000 0.485 448 W N -0.597 120.731 121.300 0.046 0.000 2.882 448 W HA 0.690 5.351 4.660 0.001 0.000 0.345 448 W C -0.353 176.181 176.519 0.025 0.000 1.125 448 W CA -0.588 56.770 57.345 0.022 0.000 1.167 448 W CB 2.327 31.786 29.460 -0.001 0.000 1.431 448 W HN 0.631 nan 8.180 nan 0.000 0.543 449 T N -0.751 113.948 114.554 0.241 0.000 2.932 449 T HA 0.505 4.856 4.350 0.001 0.000 0.289 449 T C 0.640 175.411 174.700 0.118 0.000 1.039 449 T CA 0.618 62.797 62.100 0.131 0.000 1.024 449 T CB 1.110 70.020 68.868 0.071 0.000 1.090 449 T HN 0.903 nan 8.240 nan 0.000 0.496 450 G N 1.429 110.268 108.800 0.065 0.000 2.179 450 G HA2 -0.203 3.758 3.960 0.001 0.000 0.257 450 G HA3 -0.203 3.758 3.960 0.001 0.000 0.257 450 G C 0.216 175.162 174.900 0.076 0.000 1.010 450 G CA 0.256 45.388 45.100 0.054 0.000 0.736 450 G HN 0.924 nan 8.290 nan 0.000 0.513 451 V N 0.892 120.874 119.914 0.113 0.000 2.673 451 V HA 0.453 4.574 4.120 0.001 0.000 0.303 451 V C 0.563 176.783 176.094 0.210 0.000 1.046 451 V CA 0.856 63.210 62.300 0.089 0.000 1.126 451 V CB 0.880 32.711 31.823 0.014 0.000 0.934 451 V HN 1.034 nan 8.190 nan 0.000 0.487 452 N N 1.560 120.367 118.700 0.179 0.000 2.859 452 N HA 0.588 5.329 4.740 0.001 0.000 0.250 452 N C 0.040 175.570 175.510 0.034 0.000 1.341 452 N CA -0.197 52.937 53.050 0.139 0.000 0.881 452 N CB 1.598 40.108 38.487 0.038 0.000 1.516 452 N HN 0.960 nan 8.380 nan 0.000 0.503 453 G N -0.895 107.811 108.800 -0.158 0.000 2.176 453 G HA2 -0.257 3.703 3.960 0.001 0.000 0.252 453 G HA3 -0.257 3.703 3.960 0.001 0.000 0.252 453 G C -0.500 174.303 174.900 -0.162 0.000 1.024 453 G CA 0.801 45.797 45.100 -0.173 0.000 0.755 453 G HN 0.969 nan 8.290 nan 0.000 0.507 454 Y N -1.458 118.745 120.300 -0.162 0.000 2.403 454 Y HA 0.865 5.416 4.550 0.001 0.000 0.323 454 Y C 0.278 176.066 175.900 -0.186 0.000 1.226 454 Y CA -1.655 56.312 58.100 -0.222 0.000 1.235 454 Y CB 0.918 39.181 38.460 -0.327 0.000 1.248 454 Y HN 0.131 nan 8.280 nan 0.000 0.489 455 Q N 0.534 120.307 119.800 -0.044 0.000 2.297 455 Q HA 0.387 4.728 4.340 0.001 0.000 0.268 455 Q C -0.465 175.508 176.000 -0.045 0.000 1.045 455 Q CA -0.802 54.954 55.803 -0.079 0.000 0.861 455 Q CB 1.073 29.761 28.738 -0.084 0.000 1.344 455 Q HN 0.741 nan 8.270 nan 0.000 0.452 456 N N 2.270 120.948 118.700 -0.036 0.000 2.708 456 N HA -0.244 4.496 4.740 0.001 0.000 0.249 456 N C -0.921 174.581 175.510 -0.013 0.000 1.097 456 N CA 0.979 54.015 53.050 -0.024 0.000 0.710 456 N CB -0.973 37.493 38.487 -0.035 0.000 1.032 456 N HN 0.805 nan 8.380 nan 0.000 0.551 457 N N -1.622 117.107 118.700 0.048 0.000 2.741 457 N HA -0.219 4.522 4.740 0.001 0.000 0.251 457 N C -0.517 174.919 175.510 -0.123 0.000 1.112 457 N CA 1.148 54.233 53.050 0.058 0.000 0.750 457 N CB -1.218 37.300 38.487 0.053 0.000 1.119 457 N HN 0.581 nan 8.380 nan 0.000 0.561 458 I N 0.907 121.335 120.570 -0.237 0.000 2.388 458 I HA 0.159 4.330 4.170 0.001 0.000 0.281 458 I C -1.446 174.205 176.117 -0.776 0.000 1.046 458 I CA -2.008 58.955 61.300 -0.561 0.000 1.187 458 I CB 1.655 39.172 38.000 -0.804 0.000 1.351 458 I HN -0.268 nan 8.210 nan 0.000 0.472 459 P HA -0.143 nan 4.420 nan 0.000 0.219 459 P C 1.364 178.001 177.300 -1.105 0.000 1.146 459 P CA 1.425 63.568 63.100 -1.595 0.000 0.808 459 P CB 0.061 30.492 31.700 -2.115 0.000 0.779 460 F N -0.113 119.285 119.950 -0.921 0.000 2.333 460 F HA -0.119 4.409 4.527 0.001 0.000 0.300 460 F C 2.128 177.569 175.800 -0.599 0.000 1.083 460 F CA 1.654 59.194 58.000 -0.766 0.000 1.395 460 F CB -1.803 36.778 39.000 -0.698 0.000 1.056 460 F HN 0.011 nan 8.300 nan 0.000 0.529 461 T N -2.671 111.605 114.554 -0.462 0.000 3.160 461 T HA 0.259 4.610 4.350 0.001 0.000 0.257 461 T C 1.283 175.873 174.700 -0.183 0.000 1.147 461 T CA 0.424 62.348 62.100 -0.293 0.000 1.064 461 T CB -0.677 68.007 68.868 -0.307 0.000 0.949 461 T HN 0.180 nan 8.240 nan 0.000 0.526 462 G N 1.146 109.827 108.800 -0.197 0.000 2.641 462 G HA2 0.581 4.542 3.960 0.001 0.000 0.239 462 G HA3 0.581 4.542 3.960 0.001 0.000 0.239 462 G C -0.371 174.424 174.900 -0.175 0.000 1.402 462 G CA -0.147 44.888 45.100 -0.109 0.000 1.046 462 G HN 0.613 nan 8.290 nan 0.000 0.565 463 T N -3.696 110.775 114.554 -0.137 0.000 2.906 463 T HA 0.748 5.099 4.350 0.001 0.000 0.295 463 T C -0.394 174.224 174.700 -0.136 0.000 1.075 463 T CA -0.090 61.917 62.100 -0.154 0.000 1.005 463 T CB 1.784 70.605 68.868 -0.078 0.000 1.136 463 T HN 1.266 nan 8.240 nan 0.000 0.498 464 A N 0.591 123.330 122.820 -0.134 0.000 2.322 464 A HA 0.789 5.110 4.320 0.001 0.000 0.327 464 A C 1.069 178.677 177.584 0.041 0.000 1.134 464 A CA -0.289 51.728 52.037 -0.033 0.000 0.831 464 A CB 1.149 20.153 19.000 0.006 0.000 1.288 464 A HN 1.333 nan 8.150 nan 0.000 0.472 465 T N -2.697 111.901 114.554 0.074 0.000 3.054 465 T HA 0.542 4.892 4.350 0.001 0.000 0.255 465 T C 0.623 175.378 174.700 0.092 0.000 1.035 465 T CA 0.666 62.808 62.100 0.069 0.000 0.941 465 T CB -0.221 68.676 68.868 0.048 0.000 1.026 465 T HN 2.086 nan 8.240 nan 0.000 0.533 466 G N 1.574 110.456 108.800 0.137 0.000 2.320 466 G HA2 0.499 4.460 3.960 0.001 0.000 0.296 466 G HA3 0.499 4.460 3.960 0.001 0.000 0.296 466 G C -3.471 171.526 174.900 0.163 0.000 1.306 466 G CA -0.965 44.214 45.100 0.131 0.000 0.836 466 G HN 0.038 nan 8.290 nan 0.000 0.517 467 P HA 0.449 nan 4.420 nan 0.000 0.279 467 P C 0.197 177.520 177.300 0.038 0.000 1.252 467 P CA -0.348 62.771 63.100 0.031 0.000 0.811 467 P CB 1.822 33.527 31.700 0.008 0.000 1.035 468 V N 2.052 121.967 119.914 0.002 0.000 2.924 468 V HA 0.057 4.177 4.120 0.001 0.000 0.305 468 V C 0.804 176.908 176.094 0.016 0.000 1.073 468 V CA -0.358 61.954 62.300 0.021 0.000 1.098 468 V CB 0.107 31.936 31.823 0.010 0.000 1.000 468 V HN 0.539 nan 8.190 nan 0.000 0.484 469 K N 3.890 124.307 120.400 0.027 0.000 2.447 469 K HA 0.343 4.664 4.320 0.001 0.000 0.281 469 K C 0.183 176.803 176.600 0.034 0.000 1.031 469 K CA 0.611 56.918 56.287 0.033 0.000 1.019 469 K CB 0.186 32.714 32.500 0.047 0.000 0.918 469 K HN 0.915 nan 8.250 nan 0.000 0.476 470 G N 1.977 110.788 108.800 0.018 0.000 2.461 470 G HA2 0.156 4.117 3.960 0.001 0.000 0.329 470 G HA3 0.156 4.117 3.960 0.001 0.000 0.329 470 G C 0.524 175.377 174.900 -0.078 0.000 1.170 470 G CA -0.613 44.489 45.100 0.004 0.000 0.935 470 G HN 0.675 nan 8.290 nan 0.000 0.492 471 T N -0.249 114.203 114.554 -0.170 0.000 2.737 471 T HA -0.092 4.258 4.350 0.001 0.000 0.265 471 T C 1.433 175.712 174.700 -0.702 0.000 1.038 471 T CA 1.607 63.390 62.100 -0.528 0.000 1.144 471 T CB -0.095 68.357 68.868 -0.693 0.000 0.866 471 T HN 0.670 nan 8.240 nan 0.000 0.434 472 W N 1.376 122.706 121.300 0.050 0.000 2.942 472 W HA 0.318 4.979 4.660 0.001 0.000 0.260 472 W C 0.629 177.176 176.519 0.046 0.000 1.101 472 W CA -0.618 56.759 57.345 0.053 0.000 1.436 472 W CB 0.779 30.280 29.460 0.069 0.000 0.883 472 W HN 0.185 nan 8.180 nan 0.000 0.646 473 E N 0.532 120.861 120.200 0.215 0.000 2.390 473 E HA 0.269 4.620 4.350 0.001 0.000 0.277 473 E C -0.810 175.837 176.600 0.078 0.000 0.939 473 E CA -1.051 55.428 56.400 0.131 0.000 0.769 473 E CB 0.739 30.513 29.700 0.125 0.000 1.251 473 E HN -0.304 nan 8.360 nan 0.000 0.450 474 N N 0.481 119.215 118.700 0.058 0.000 2.356 474 N HA 0.138 4.879 4.740 0.001 0.000 0.252 474 N C 1.029 176.550 175.510 0.019 0.000 1.241 474 N CA 2.059 55.131 53.050 0.036 0.000 0.861 474 N CB 0.683 39.193 38.487 0.039 0.000 1.075 474 N HN 0.932 nan 8.380 nan 0.000 0.461 475 G N 0.642 109.437 108.800 -0.010 0.000 2.176 475 G HA2 -0.254 3.706 3.960 0.001 0.000 0.253 475 G HA3 -0.254 3.706 3.960 0.001 0.000 0.253 475 G C -0.063 174.806 174.900 -0.051 0.000 0.979 475 G CA 0.084 45.139 45.100 -0.074 0.000 0.641 475 G HN 0.542 nan 8.290 nan 0.000 0.530 476 I N 0.035 120.619 120.570 0.024 0.000 2.607 476 I HA 0.611 4.781 4.170 0.001 0.000 0.290 476 I C -0.442 175.742 176.117 0.110 0.000 1.129 476 I CA -1.224 60.134 61.300 0.097 0.000 1.042 476 I CB 2.577 40.635 38.000 0.097 0.000 1.242 476 I HN -0.062 nan 8.210 nan 0.000 0.421 477 V N 3.565 123.573 119.914 0.155 0.000 2.638 477 V HA 0.355 4.475 4.120 0.001 0.000 0.306 477 V C -0.694 175.489 176.094 0.149 0.000 1.052 477 V CA -0.853 61.514 62.300 0.111 0.000 0.885 477 V CB 1.968 33.860 31.823 0.114 0.000 0.999 477 V HN 0.581 nan 8.190 nan 0.000 0.424 478 D N 1.660 122.121 120.400 0.101 0.000 2.472 478 D HA -0.008 4.632 4.640 0.001 0.000 0.237 478 D C 0.692 177.027 176.300 0.059 0.000 1.141 478 D CA 0.294 54.378 54.000 0.140 0.000 0.875 478 D CB 0.609 41.479 40.800 0.116 0.000 1.192 478 D HN 0.666 nan 8.370 nan 0.000 0.450 479 Y N 3.475 123.793 120.300 0.030 0.000 2.151 479 Y HA -0.275 4.275 4.550 0.001 0.000 0.284 479 Y C 2.342 178.187 175.900 -0.091 0.000 1.166 479 Y CA 1.949 60.025 58.100 -0.040 0.000 1.163 479 Y CB 0.052 38.520 38.460 0.013 0.000 0.974 479 Y HN 0.414 nan 8.280 nan 0.000 0.511 480 R N -0.194 120.212 120.500 -0.157 0.000 2.119 480 R HA -0.247 4.094 4.340 0.001 0.000 0.246 480 R C 2.077 178.155 176.300 -0.370 0.000 1.146 480 R CA 2.155 58.116 56.100 -0.231 0.000 0.962 480 R CB -0.150 30.115 30.300 -0.059 0.000 0.863 480 R HN 0.386 nan 8.270 nan 0.000 0.442 481 Q N 0.264 119.859 119.800 -0.342 0.000 2.123 481 Q HA -0.055 4.286 4.340 0.001 0.000 0.199 481 Q C 2.216 177.800 176.000 -0.692 0.000 0.966 481 Q CA 1.159 56.680 55.803 -0.469 0.000 0.845 481 Q CB -0.159 28.342 28.738 -0.395 0.000 0.907 481 Q HN 0.478 nan 8.270 nan 0.000 0.439 482 I N 0.654 120.881 120.570 -0.572 0.000 2.163 482 I HA -0.295 3.875 4.170 0.001 0.000 0.243 482 I C 2.253 177.979 176.117 -0.653 0.000 1.085 482 I CA 1.351 62.303 61.300 -0.580 0.000 1.347 482 I CB -0.472 37.106 38.000 -0.704 0.000 1.044 482 I HN 0.073 nan 8.210 nan 0.000 0.408 483 A N -0.541 121.827 122.820 -0.754 0.000 1.930 483 A HA -0.185 4.135 4.320 0.001 0.000 0.217 483 A C 2.491 179.837 177.584 -0.397 0.000 1.175 483 A CA 2.065 53.763 52.037 -0.566 0.000 0.627 483 A CB -0.640 17.960 19.000 -0.665 0.000 0.815 483 A HN 0.370 nan 8.150 nan 0.000 0.443 484 S N -1.412 114.030 115.700 -0.431 0.000 2.357 484 S HA -0.098 4.373 4.470 0.001 0.000 0.221 484 S C 2.019 176.384 174.600 -0.392 0.000 1.031 484 S CA 1.462 59.454 58.200 -0.347 0.000 0.982 484 S CB -0.132 62.871 63.200 -0.329 0.000 0.853 484 S HN 0.578 nan 8.310 nan 0.000 0.458 485 Q N -0.930 118.484 119.800 -0.643 0.000 2.378 485 Q HA 0.265 4.606 4.340 0.001 0.000 0.229 485 Q C -0.020 175.559 176.000 -0.701 0.000 0.882 485 Q CA 0.413 55.761 55.803 -0.758 0.000 0.936 485 Q CB 0.144 28.160 28.738 -1.203 0.000 1.092 485 Q HN 0.564 nan 8.270 nan 0.000 0.535 486 F N -0.388 119.225 119.950 -0.561 0.000 2.791 486 F HA 0.356 4.883 4.527 0.001 0.000 0.308 486 F C 0.671 176.121 175.800 -0.584 0.000 1.138 486 F CA -0.191 57.181 58.000 -1.046 0.000 1.294 486 F CB 0.534 38.637 39.000 -1.496 0.000 0.975 486 F HN -0.104 nan 8.300 nan 0.000 0.512 487 M N 0.501 120.015 119.600 -0.143 0.000 2.911 487 M HA 0.293 4.773 4.480 0.001 0.000 0.381 487 M C -0.053 176.280 176.300 0.056 0.000 1.287 487 M CA 0.146 55.443 55.300 -0.005 0.000 0.858 487 M CB -0.276 32.281 32.600 -0.071 0.000 1.385 487 M HN 0.140 nan 8.290 nan 0.000 0.504 488 S N -2.428 113.361 115.700 0.148 0.000 2.672 488 S HA 0.894 5.364 4.470 0.001 0.000 0.271 488 S C 0.386 175.145 174.600 0.264 0.000 1.171 488 S CA -0.100 58.195 58.200 0.160 0.000 0.817 488 S CB 1.551 64.803 63.200 0.086 0.000 1.150 488 S HN 0.621 nan 8.310 nan 0.000 0.478 489 G N 1.416 110.318 108.800 0.169 0.000 2.622 489 G HA2 -0.358 3.602 3.960 0.001 0.000 0.307 489 G HA3 -0.358 3.602 3.960 0.001 0.000 0.307 489 G C 0.576 175.543 174.900 0.111 0.000 1.226 489 G CA 0.787 45.968 45.100 0.136 0.000 0.997 489 G HN 1.092 nan 8.290 nan 0.000 0.551 490 E N -0.009 120.209 120.200 0.030 0.000 2.427 490 E HA 0.017 4.368 4.350 0.001 0.000 0.196 490 E C 0.305 176.845 176.600 -0.100 0.000 1.028 490 E CA -0.272 56.070 56.400 -0.097 0.000 0.864 490 E CB 0.050 29.602 29.700 -0.246 0.000 0.813 490 E HN 0.416 nan 8.360 nan 0.000 0.514 491 W N 1.400 122.712 121.300 0.020 0.000 2.381 491 W HA 0.143 4.803 4.660 0.001 0.000 0.321 491 W C 0.816 177.389 176.519 0.091 0.000 1.407 491 W CA 0.043 57.415 57.345 0.045 0.000 1.274 491 W CB 0.094 29.617 29.460 0.104 0.000 1.310 491 W HN -0.014 nan 8.180 nan 0.000 0.551 492 Q N 3.863 123.848 119.800 0.308 0.000 2.299 492 Q HA 0.289 4.629 4.340 0.001 0.000 0.246 492 Q C -1.621 174.584 176.000 0.340 0.000 0.935 492 Q CA -0.533 55.432 55.803 0.270 0.000 0.887 492 Q CB 1.091 29.959 28.738 0.217 0.000 1.223 492 Q HN 0.539 nan 8.270 nan 0.000 0.439 493 Y N 0.658 121.048 120.300 0.150 0.000 2.393 493 Y HA 0.671 5.221 4.550 0.001 0.000 0.341 493 Y C -0.649 175.237 175.900 -0.022 0.000 0.988 493 Y CA -0.558 57.608 58.100 0.110 0.000 1.078 493 Y CB 2.238 40.795 38.460 0.163 0.000 1.203 493 Y HN 0.666 nan 8.280 nan 0.000 0.453 494 T N 6.111 120.138 114.554 -0.878 0.000 2.921 494 T HA 0.210 4.560 4.350 0.001 0.000 0.297 494 T C -2.028 172.181 174.700 -0.817 0.000 1.013 494 T CA -0.533 61.143 62.100 -0.707 0.000 0.990 494 T CB 0.829 69.231 68.868 -0.776 0.000 1.023 494 T HN 0.535 nan 8.240 nan 0.000 0.447 495 Y N 3.012 123.094 120.300 -0.362 0.000 2.385 495 Y HA 0.368 4.919 4.550 0.001 0.000 0.341 495 Y C -0.044 175.848 175.900 -0.014 0.000 0.965 495 Y CA -0.951 57.052 58.100 -0.162 0.000 1.180 495 Y CB 0.663 39.161 38.460 0.064 0.000 1.139 495 Y HN 0.549 nan 8.280 nan 0.000 0.502 496 D N 5.006 125.183 120.400 -0.372 0.000 2.344 496 D HA 0.160 4.801 4.640 0.001 0.000 0.253 496 D C 0.457 176.560 176.300 -0.328 0.000 1.255 496 D CA 0.350 54.257 54.000 -0.155 0.000 0.894 496 D CB 1.410 42.236 40.800 0.043 0.000 1.067 496 D HN 0.764 nan 8.370 nan 0.000 0.492 497 A N 3.220 126.048 122.820 0.013 0.000 2.178 497 A HA -0.004 4.317 4.320 0.001 0.000 0.211 497 A C 1.937 179.535 177.584 0.024 0.000 1.157 497 A CA 0.578 52.701 52.037 0.144 0.000 0.780 497 A CB 0.062 19.209 19.000 0.244 0.000 0.828 497 A HN 0.578 nan 8.150 nan 0.000 0.476 498 T N 0.083 114.611 114.554 -0.043 0.000 2.770 498 T HA 0.069 4.420 4.350 0.001 0.000 0.258 498 T C 2.241 176.846 174.700 -0.157 0.000 1.039 498 T CA 1.383 63.432 62.100 -0.084 0.000 1.143 498 T CB -0.275 68.535 68.868 -0.097 0.000 0.866 498 T HN 0.508 nan 8.240 nan 0.000 0.428 499 A N 0.697 123.371 122.820 -0.244 0.000 2.016 499 A HA 0.050 4.370 4.320 0.001 0.000 0.217 499 A C 0.523 177.917 177.584 -0.318 0.000 1.162 499 A CA 0.561 52.409 52.037 -0.315 0.000 0.662 499 A CB -0.095 18.648 19.000 -0.428 0.000 0.812 499 A HN 0.457 nan 8.150 nan 0.000 0.450 500 E N -1.795 118.207 120.200 -0.330 0.000 2.484 500 E HA -0.144 4.206 4.350 0.001 0.000 0.181 500 E C -0.295 176.006 176.600 -0.499 0.000 1.458 500 E CA 0.877 57.110 56.400 -0.278 0.000 0.667 500 E CB -2.192 27.474 29.700 -0.057 0.000 1.125 500 E HN 1.326 nan 8.360 nan 0.000 0.384 501 A N 1.631 123.863 122.820 -0.980 0.000 2.500 501 A HA 0.609 4.930 4.320 0.001 0.000 0.291 501 A C -2.780 174.315 177.584 -0.815 0.000 1.048 501 A CA -1.062 50.474 52.037 -0.835 0.000 0.791 501 A CB 1.909 20.179 19.000 -1.217 0.000 1.309 501 A HN 0.025 nan 8.150 nan 0.000 0.397 502 P HA 0.664 nan 4.420 nan 0.000 0.284 502 P C -1.465 175.588 177.300 -0.412 0.000 1.258 502 P CA -0.089 62.683 63.100 -0.547 0.000 0.824 502 P CB 0.939 32.368 31.700 -0.452 0.000 1.038 503 Y N -0.592 119.508 120.300 -0.333 0.000 2.581 503 Y HA 0.631 5.181 4.550 0.001 0.000 0.337 503 Y C -1.183 174.888 175.900 0.285 0.000 1.108 503 Y CA -1.673 56.510 58.100 0.138 0.000 1.033 503 Y CB 0.694 39.388 38.460 0.390 0.000 1.318 503 Y HN 0.341 nan 8.280 nan 0.000 0.459 504 V N 0.284 120.585 119.914 0.644 0.000 2.815 504 V HA 0.841 4.962 4.120 0.001 0.000 0.314 504 V C -1.584 174.936 176.094 0.710 0.000 1.064 504 V CA -0.957 61.680 62.300 0.561 0.000 0.952 504 V CB 2.095 34.221 31.823 0.506 0.000 1.020 504 V HN 0.937 nan 8.190 nan 0.000 0.439 505 F N 2.372 122.586 119.950 0.439 0.000 2.588 505 F HA 0.648 5.176 4.527 0.001 0.000 0.314 505 F C -0.567 175.195 175.800 -0.063 0.000 1.134 505 F CA -1.024 57.088 58.000 0.187 0.000 0.961 505 F CB 2.151 41.176 39.000 0.042 0.000 1.239 505 F HN 0.751 nan 8.300 nan 0.000 0.448 506 K N 8.057 127.818 120.400 -1.065 0.000 2.464 506 K HA 0.449 4.770 4.320 0.001 0.000 0.252 506 K C -2.347 173.480 176.600 -1.290 0.000 1.000 506 K CA -1.902 53.639 56.287 -1.243 0.000 0.951 506 K CB 1.617 33.095 32.500 -1.703 0.000 1.183 506 K HN 0.263 nan 8.250 nan 0.000 0.445 507 P HA -0.166 nan 4.420 nan 0.000 0.220 507 P C 1.005 178.059 177.300 -0.409 0.000 1.148 507 P CA 0.989 63.617 63.100 -0.785 0.000 0.803 507 P CB 0.258 31.817 31.700 -0.236 0.000 0.782 508 S N -1.371 114.106 115.700 -0.371 0.000 2.453 508 S HA -0.085 4.386 4.470 0.001 0.000 0.231 508 S C 1.640 176.108 174.600 -0.219 0.000 1.005 508 S CA 1.676 59.734 58.200 -0.236 0.000 0.949 508 S CB -1.660 61.416 63.200 -0.206 0.000 0.774 508 S HN 0.282 nan 8.310 nan 0.000 0.510 509 T N -3.807 110.565 114.554 -0.303 0.000 3.010 509 T HA 0.525 4.875 4.350 0.001 0.000 0.257 509 T C 1.487 176.078 174.700 -0.182 0.000 1.020 509 T CA 0.429 62.400 62.100 -0.216 0.000 0.938 509 T CB -0.034 68.696 68.868 -0.230 0.000 1.049 509 T HN 1.128 nan 8.240 nan 0.000 0.522 510 G N 2.317 110.950 108.800 -0.277 0.000 2.179 510 G HA2 -0.205 3.755 3.960 0.001 0.000 0.257 510 G HA3 -0.205 3.755 3.960 0.001 0.000 0.257 510 G C -0.479 174.405 174.900 -0.027 0.000 1.010 510 G CA 0.024 45.058 45.100 -0.110 0.000 0.736 510 G HN 0.593 nan 8.290 nan 0.000 0.513 511 D N -0.136 120.133 120.400 -0.219 0.000 2.371 511 D HA 0.401 5.041 4.640 0.001 0.000 0.256 511 D C 0.245 176.663 176.300 0.196 0.000 1.193 511 D CA 0.231 54.212 54.000 -0.032 0.000 0.881 511 D CB 1.756 42.488 40.800 -0.114 0.000 1.143 511 D HN 0.269 nan 8.370 nan 0.000 0.473 512 L N 4.092 125.541 121.223 0.377 0.000 2.376 512 L HA 0.494 4.834 4.340 0.001 0.000 0.275 512 L C -1.309 175.827 176.870 0.443 0.000 0.987 512 L CA -0.481 54.643 54.840 0.473 0.000 0.828 512 L CB 1.378 43.597 42.059 0.266 0.000 1.249 512 L HN 0.260 nan 8.230 nan 0.000 0.409 513 I N 3.629 124.471 120.570 0.452 0.000 2.498 513 I HA 0.417 4.588 4.170 0.001 0.000 0.290 513 I C -0.340 176.146 176.117 0.616 0.000 1.032 513 I CA -0.526 61.007 61.300 0.388 0.000 1.073 513 I CB 2.239 40.371 38.000 0.219 0.000 1.251 513 I HN 0.598 nan 8.210 nan 0.000 0.426 514 T N 6.593 121.470 114.554 0.539 0.000 2.779 514 T HA 0.769 5.119 4.350 0.001 0.000 0.280 514 T C -0.826 174.152 174.700 0.463 0.000 0.987 514 T CA -0.311 62.125 62.100 0.559 0.000 0.966 514 T CB 0.443 69.656 68.868 0.576 0.000 0.933 514 T HN 0.432 nan 8.240 nan 0.000 0.442 515 F N 1.302 121.371 119.950 0.199 0.000 2.789 515 F HA 0.775 5.303 4.527 0.001 0.000 0.319 515 F C -1.099 174.745 175.800 0.073 0.000 1.168 515 F CA -1.442 56.619 58.000 0.101 0.000 0.934 515 F CB 0.470 39.577 39.000 0.179 0.000 1.375 515 F HN 0.253 nan 8.300 nan 0.000 0.480 516 D N 0.819 121.297 120.400 0.130 0.000 2.193 516 D HA 0.418 5.058 4.640 0.001 0.000 0.249 516 D C -1.045 175.352 176.300 0.162 0.000 1.034 516 D CA 0.264 54.271 54.000 0.011 0.000 0.902 516 D CB 1.740 42.504 40.800 -0.061 0.000 1.182 516 D HN 0.731 nan 8.370 nan 0.000 0.436 517 D N -1.064 119.398 120.400 0.103 0.000 2.781 517 D HA 0.396 5.037 4.640 0.001 0.000 0.295 517 D C 0.580 176.908 176.300 0.046 0.000 1.143 517 D CA -0.661 53.435 54.000 0.160 0.000 1.076 517 D CB 0.329 41.433 40.800 0.507 0.000 1.444 517 D HN 0.199 nan 8.370 nan 0.000 0.567 518 A N -0.180 122.668 122.820 0.047 0.000 1.948 518 A HA -0.203 4.117 4.320 0.001 0.000 0.220 518 A C 2.181 179.768 177.584 0.006 0.000 1.177 518 A CA 2.188 54.228 52.037 0.004 0.000 0.636 518 A CB -0.760 18.253 19.000 0.022 0.000 0.815 518 A HN 0.578 nan 8.150 nan 0.000 0.449 519 R N -0.008 120.500 120.500 0.015 0.000 2.073 519 R HA -0.103 4.238 4.340 0.001 0.000 0.229 519 R C 2.521 178.850 176.300 0.049 0.000 1.120 519 R CA 1.752 57.805 56.100 -0.078 0.000 0.967 519 R CB -0.256 29.808 30.300 -0.393 0.000 0.862 519 R HN 0.660 nan 8.270 nan 0.000 0.436 520 S N -0.398 115.439 115.700 0.229 0.000 2.402 520 S HA -0.067 4.403 4.470 0.001 0.000 0.229 520 S C 2.013 176.656 174.600 0.072 0.000 1.021 520 S CA 1.129 59.455 58.200 0.210 0.000 0.974 520 S CB -0.340 62.929 63.200 0.114 0.000 0.800 520 S HN 0.136 nan 8.310 nan 0.000 0.484 521 V N 1.836 121.770 119.914 0.033 0.000 2.343 521 V HA -0.182 3.939 4.120 0.001 0.000 0.247 521 V C 2.935 179.038 176.094 0.015 0.000 1.051 521 V CA 2.200 64.501 62.300 0.001 0.000 1.036 521 V CB -1.022 30.777 31.823 -0.039 0.000 0.654 521 V HN 0.484 nan 8.190 nan 0.000 0.451 522 Q N -0.216 119.592 119.800 0.013 0.000 2.167 522 Q HA -0.102 4.238 4.340 0.001 0.000 0.202 522 Q C 2.184 178.208 176.000 0.040 0.000 0.970 522 Q CA 1.680 57.491 55.803 0.015 0.000 0.855 522 Q CB -0.387 28.350 28.738 -0.002 0.000 0.911 522 Q HN 0.655 nan 8.270 nan 0.000 0.438 523 A N 0.459 123.312 122.820 0.055 0.000 1.898 523 A HA -0.203 4.117 4.320 0.001 0.000 0.216 523 A C 1.869 179.506 177.584 0.089 0.000 1.181 523 A CA 1.565 53.645 52.037 0.072 0.000 0.620 523 A CB -0.331 18.721 19.000 0.087 0.000 0.819 523 A HN 0.289 nan 8.150 nan 0.000 0.442 524 K N -0.734 119.710 120.400 0.074 0.000 2.057 524 K HA -0.098 4.223 4.320 0.001 0.000 0.207 524 K C 2.143 178.843 176.600 0.167 0.000 1.049 524 K CA 1.140 57.497 56.287 0.116 0.000 0.931 524 K CB -0.457 32.087 32.500 0.074 0.000 0.714 524 K HN 0.464 nan 8.250 nan 0.000 0.440 525 G N 1.852 110.712 108.800 0.099 0.000 2.418 525 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 525 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 525 G C 1.415 176.368 174.900 0.088 0.000 1.158 525 G CA 0.832 45.980 45.100 0.080 0.000 0.771 525 G HN 0.238 nan 8.290 nan 0.000 0.545 526 K N -0.562 119.894 120.400 0.093 0.000 2.063 526 K HA -0.211 4.110 4.320 0.001 0.000 0.208 526 K C 2.197 178.870 176.600 0.122 0.000 1.048 526 K CA 1.530 57.870 56.287 0.089 0.000 0.928 526 K CB -0.403 32.147 32.500 0.083 0.000 0.713 526 K HN 0.375 nan 8.250 nan 0.000 0.442 527 Y N 1.212 121.527 120.300 0.024 0.000 2.181 527 Y HA -0.209 4.342 4.550 0.001 0.000 0.288 527 Y C 1.899 177.816 175.900 0.028 0.000 1.146 527 Y CA 1.385 59.500 58.100 0.025 0.000 1.164 527 Y CB -0.353 38.123 38.460 0.027 0.000 0.982 527 Y HN -0.149 nan 8.280 nan 0.000 0.515 528 V N 0.844 120.782 119.914 0.040 0.000 2.287 528 V HA -0.368 3.753 4.120 0.001 0.000 0.248 528 V C 2.518 178.564 176.094 -0.080 0.000 1.053 528 V CA 2.254 64.520 62.300 -0.056 0.000 1.027 528 V CB -0.836 31.022 31.823 0.059 0.000 0.646 528 V HN 0.484 nan 8.190 nan 0.000 0.447 529 L N -0.177 121.032 121.223 -0.023 0.000 2.046 529 L HA -0.204 4.137 4.340 0.001 0.000 0.208 529 L C 2.418 179.261 176.870 -0.046 0.000 1.077 529 L CA 2.129 56.957 54.840 -0.020 0.000 0.747 529 L CB -0.788 41.276 42.059 0.008 0.000 0.896 529 L HN 0.404 nan 8.230 nan 0.000 0.432 530 D N 0.222 120.588 120.400 -0.057 0.000 2.117 530 D HA -0.173 4.467 4.640 0.001 0.000 0.197 530 D C 1.846 178.076 176.300 -0.117 0.000 0.987 530 D CA 1.205 55.167 54.000 -0.062 0.000 0.829 530 D CB 0.203 40.986 40.800 -0.028 0.000 0.961 530 D HN -0.046 nan 8.370 nan 0.000 0.460 531 K N 0.293 120.553 120.400 -0.233 0.000 2.404 531 K HA 0.116 4.437 4.320 0.001 0.000 0.194 531 K C 0.181 176.686 176.600 -0.158 0.000 1.023 531 K CA 0.051 56.188 56.287 -0.250 0.000 1.094 531 K CB 0.089 32.296 32.500 -0.488 0.000 0.841 531 K HN 0.344 nan 8.250 nan 0.000 0.523 532 Q N 0.538 120.272 119.800 -0.111 0.000 2.475 532 Q HA -0.198 4.143 4.340 0.001 0.000 0.280 532 Q C -0.283 175.685 176.000 -0.053 0.000 1.234 532 Q CA 0.361 56.128 55.803 -0.061 0.000 0.873 532 Q CB -2.132 26.581 28.738 -0.040 0.000 1.256 532 Q HN 0.298 nan 8.270 nan 0.000 0.475 533 L N -1.541 119.637 121.223 -0.076 0.000 2.482 533 L HA 0.235 4.576 4.340 0.001 0.000 0.242 533 L C 1.828 178.705 176.870 0.011 0.000 1.210 533 L CA 0.604 55.422 54.840 -0.037 0.000 0.819 533 L CB 0.015 42.046 42.059 -0.048 0.000 1.203 533 L HN 0.278 nan 8.230 nan 0.000 0.495 534 G N -1.512 107.313 108.800 0.042 0.000 2.603 534 G HA2 0.427 4.388 3.960 0.001 0.000 0.214 534 G HA3 0.427 4.388 3.960 0.001 0.000 0.214 534 G C 0.480 175.419 174.900 0.064 0.000 1.140 534 G CA 0.693 45.832 45.100 0.065 0.000 0.800 534 G HN 0.951 nan 8.290 nan 0.000 0.533 535 G N -1.155 107.695 108.800 0.083 0.000 2.332 535 G HA2 0.296 4.256 3.960 0.001 0.000 0.265 535 G HA3 0.296 4.256 3.960 0.001 0.000 0.265 535 G C -1.742 173.254 174.900 0.159 0.000 1.329 535 G CA -0.854 44.304 45.100 0.097 0.000 0.949 535 G HN 0.395 nan 8.290 nan 0.000 0.476 536 L N 0.108 121.436 121.223 0.174 0.000 2.371 536 L HA 0.895 5.235 4.340 0.001 0.000 0.262 536 L C -0.461 176.595 176.870 0.309 0.000 1.006 536 L CA -0.980 53.987 54.840 0.212 0.000 0.818 536 L CB 2.191 44.310 42.059 0.100 0.000 1.354 536 L HN 0.866 nan 8.230 nan 0.000 0.415 537 F N -0.248 119.808 119.950 0.176 0.000 2.664 537 F HA 0.907 5.434 4.527 0.001 0.000 0.317 537 F C -0.780 175.136 175.800 0.192 0.000 1.108 537 F CA -0.863 57.221 58.000 0.140 0.000 0.957 537 F CB 1.743 40.789 39.000 0.077 0.000 1.365 537 F HN 0.416 nan 8.300 nan 0.000 0.475 538 S N 0.632 116.335 115.700 0.006 0.000 2.588 538 S HA 0.573 5.043 4.470 0.001 0.000 0.275 538 S C -2.165 172.564 174.600 0.214 0.000 1.130 538 S CA -0.626 57.533 58.200 -0.069 0.000 0.855 538 S CB 2.123 65.299 63.200 -0.040 0.000 1.116 538 S HN 1.170 nan 8.310 nan 0.000 0.472 539 W N 2.941 124.174 121.300 -0.112 0.000 2.683 539 W HA 0.523 5.184 4.660 0.001 0.000 0.329 539 W C -1.354 175.165 176.519 0.001 0.000 1.037 539 W CA -0.492 56.821 57.345 -0.052 0.000 1.232 539 W CB 1.722 31.040 29.460 -0.236 0.000 1.390 539 W HN 1.075 nan 8.180 nan 0.000 0.465 540 E N 4.068 124.002 120.200 -0.444 0.000 2.317 540 E HA 0.277 4.627 4.350 0.001 0.000 0.270 540 E C 0.053 176.349 176.600 -0.507 0.000 0.885 540 E CA -0.854 55.026 56.400 -0.867 0.000 0.760 540 E CB 2.523 31.244 29.700 -1.633 0.000 1.227 540 E HN 0.243 nan 8.360 nan 0.000 0.434 541 I N 2.084 122.390 120.570 -0.439 0.000 2.361 541 I HA -0.246 3.925 4.170 0.001 0.000 0.251 541 I C 1.661 177.376 176.117 -0.671 0.000 1.133 541 I CA 1.771 62.871 61.300 -0.334 0.000 1.413 541 I CB -0.452 37.483 38.000 -0.109 0.000 1.073 541 I HN 0.751 nan 8.210 nan 0.000 0.424 542 D N 0.321 120.091 120.400 -1.049 0.000 2.264 542 D HA -0.143 4.497 4.640 0.001 0.000 0.208 542 D C 1.793 177.680 176.300 -0.689 0.000 0.966 542 D CA 1.110 54.133 54.000 -1.628 0.000 0.864 542 D CB -0.201 39.889 40.800 -1.184 0.000 0.933 542 D HN 0.446 nan 8.370 nan 0.000 0.499 543 A N 0.390 122.988 122.820 -0.371 0.000 2.169 543 A HA -0.003 4.317 4.320 0.001 0.000 0.212 543 A C 0.861 178.464 177.584 0.032 0.000 1.153 543 A CA 0.092 52.083 52.037 -0.076 0.000 0.756 543 A CB -0.081 18.937 19.000 0.031 0.000 0.813 543 A HN 0.098 nan 8.150 nan 0.000 0.471 544 D N 0.059 120.451 120.400 -0.014 0.000 2.313 544 D HA 0.168 4.808 4.640 0.001 0.000 0.247 544 D C 0.726 177.113 176.300 0.145 0.000 1.094 544 D CA -0.091 53.975 54.000 0.111 0.000 0.925 544 D CB 0.665 41.477 40.800 0.020 0.000 1.188 544 D HN 0.276 nan 8.370 nan 0.000 0.430 545 N N 1.794 120.636 118.700 0.237 0.000 2.280 545 N HA 0.165 4.905 4.740 0.001 0.000 0.192 545 N C 1.143 176.741 175.510 0.148 0.000 1.109 545 N CA 0.558 53.707 53.050 0.165 0.000 0.855 545 N CB 0.852 39.414 38.487 0.125 0.000 0.974 545 N HN 0.552 nan 8.380 nan 0.000 0.482 546 G N 0.100 108.983 108.800 0.137 0.000 2.352 546 G HA2 -0.259 3.701 3.960 0.001 0.000 0.204 546 G HA3 -0.259 3.701 3.960 0.001 0.000 0.204 546 G C 0.629 175.579 174.900 0.083 0.000 1.004 546 G CA 0.233 45.397 45.100 0.107 0.000 0.648 546 G HN 0.272 nan 8.290 nan 0.000 0.491 547 D N 0.871 121.335 120.400 0.106 0.000 2.123 547 D HA -0.046 4.595 4.640 0.001 0.000 0.196 547 D C 2.586 178.846 176.300 -0.067 0.000 0.992 547 D CA 1.180 55.215 54.000 0.057 0.000 0.833 547 D CB -0.042 40.847 40.800 0.147 0.000 0.954 547 D HN 0.393 nan 8.370 nan 0.000 0.455 548 I N 0.328 120.794 120.570 -0.172 0.000 2.233 548 I HA -0.156 4.015 4.170 0.001 0.000 0.243 548 I C 2.399 178.447 176.117 -0.116 0.000 1.093 548 I CA 0.558 61.728 61.300 -0.217 0.000 1.380 548 I CB -0.989 36.835 38.000 -0.294 0.000 1.067 548 I HN 0.055 nan 8.210 nan 0.000 0.413 549 L N 1.484 122.665 121.223 -0.070 0.000 2.093 549 L HA -0.127 4.214 4.340 0.001 0.000 0.208 549 L C 2.106 178.917 176.870 -0.098 0.000 1.085 549 L CA 1.674 56.478 54.840 -0.059 0.000 0.755 549 L CB -0.902 41.150 42.059 -0.012 0.000 0.904 549 L HN 0.171 nan 8.230 nan 0.000 0.435 550 N N -0.734 117.941 118.700 -0.042 0.000 2.069 550 N HA -0.215 4.525 4.740 0.001 0.000 0.191 550 N C 2.086 177.479 175.510 -0.195 0.000 1.031 550 N CA 1.645 54.668 53.050 -0.045 0.000 0.852 550 N CB -0.660 37.907 38.487 0.134 0.000 1.018 550 N HN 0.416 nan 8.380 nan 0.000 0.423 551 S N 0.299 115.938 115.700 -0.101 0.000 2.382 551 S HA -0.016 4.454 4.470 0.001 0.000 0.228 551 S C 1.965 176.489 174.600 -0.127 0.000 1.027 551 S CA 0.852 58.995 58.200 -0.095 0.000 0.991 551 S CB -0.091 63.075 63.200 -0.057 0.000 0.823 551 S HN 0.205 nan 8.310 nan 0.000 0.469 552 M N 1.411 120.933 119.600 -0.131 0.000 2.082 552 M HA -0.146 4.334 4.480 0.001 0.000 0.258 552 M C 2.210 178.410 176.300 -0.166 0.000 1.069 552 M CA 1.638 56.873 55.300 -0.109 0.000 1.102 552 M CB -0.604 31.950 32.600 -0.077 0.000 1.336 552 M HN 0.339 nan 8.290 nan 0.000 0.404 553 N N 0.337 118.842 118.700 -0.325 0.000 2.084 553 N HA -0.110 4.631 4.740 0.001 0.000 0.190 553 N C 1.762 177.018 175.510 -0.423 0.000 1.030 553 N CA 1.807 54.569 53.050 -0.480 0.000 0.849 553 N CB -0.220 37.663 38.487 -1.007 0.000 1.012 553 N HN 0.342 nan 8.380 nan 0.000 0.423 554 A N 1.028 123.570 122.820 -0.462 0.000 1.902 554 A HA -0.136 4.185 4.320 0.001 0.000 0.217 554 A C 2.384 179.947 177.584 -0.036 0.000 1.181 554 A CA 2.123 54.092 52.037 -0.113 0.000 0.623 554 A CB -0.756 18.256 19.000 0.020 0.000 0.818 554 A HN 0.481 nan 8.150 nan 0.000 0.443 555 S N -0.505 115.164 115.700 -0.052 0.000 2.481 555 S HA 0.061 4.532 4.470 0.001 0.000 0.231 555 S C 1.498 176.099 174.600 0.002 0.000 0.996 555 S CA 1.128 59.322 58.200 -0.010 0.000 0.942 555 S CB -0.438 62.759 63.200 -0.005 0.000 0.768 555 S HN 0.421 nan 8.310 nan 0.000 0.520 556 L N 0.725 121.939 121.223 -0.014 0.000 2.592 556 L HA 0.351 4.691 4.340 0.001 0.000 0.227 556 L C 1.745 178.627 176.870 0.019 0.000 1.127 556 L CA 0.374 55.219 54.840 0.008 0.000 0.884 556 L CB -0.294 41.770 42.059 0.008 0.000 1.065 556 L HN 0.594 nan 8.230 nan 0.000 0.457 557 G N -0.196 108.617 108.800 0.022 0.000 2.141 557 G HA2 -0.243 3.718 3.960 0.001 0.000 0.231 557 G HA3 -0.243 3.718 3.960 0.001 0.000 0.231 557 G C 0.012 174.953 174.900 0.068 0.000 0.984 557 G CA -0.377 44.751 45.100 0.046 0.000 0.660 557 G HN 0.310 nan 8.290 nan 0.000 0.525 558 N N 1.118 119.860 118.700 0.070 0.000 2.492 558 N HA 0.392 5.133 4.740 0.001 0.000 0.262 558 N C 0.582 176.230 175.510 0.230 0.000 1.202 558 N CA 0.473 53.601 53.050 0.130 0.000 0.926 558 N CB 0.962 39.521 38.487 0.119 0.000 1.078 558 N HN 0.301 nan 8.380 nan 0.000 0.454 559 S N 0.726 116.530 115.700 0.174 0.000 2.580 559 S HA 0.393 4.864 4.470 0.001 0.000 0.274 559 S C 0.423 175.084 174.600 0.101 0.000 1.329 559 S CA -0.871 57.407 58.200 0.130 0.000 1.036 559 S CB 0.863 64.103 63.200 0.066 0.000 0.919 559 S HN 0.643 nan 8.310 nan 0.000 0.515 560 A N 1.955 124.755 122.820 -0.033 0.000 2.445 560 A HA 0.673 4.993 4.320 0.001 0.000 0.242 560 A C 0.901 178.386 177.584 -0.165 0.000 1.075 560 A CA 0.424 52.291 52.037 -0.283 0.000 0.777 560 A CB -0.521 18.312 19.000 -0.278 0.000 1.013 560 A HN 1.467 nan 8.150 nan 0.000 0.493 561 G N 0.000 108.681 108.800 -0.198 0.000 5.446 561 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 561 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 561 G CA 0.000 45.036 45.100 -0.107 0.000 0.502 561 G HN 0.000 nan 8.290 nan 0.000 0.925