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 1ehn_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDT DATA SEQUENCE GTTAKVLLNG 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 WQFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSVET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA GQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAGVQ 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 0.000 177.582 177.584 -0.004 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 1.548 124.365 122.820 -0.006 0.000 2.455 25 A HA 0.622 4.922 4.320 -0.034 0.000 0.244 25 A C -2.225 175.355 177.584 -0.007 0.000 1.099 25 A CA -0.389 51.642 52.037 -0.010 0.000 0.786 25 A CB -0.856 18.136 19.000 -0.013 0.000 1.051 25 A HN 0.569 nan 8.150 nan 0.000 0.508 26 P HA 0.328 nan 4.420 nan 0.000 0.274 26 P C 0.489 177.787 177.300 -0.002 0.000 1.256 26 P CA 0.132 63.228 63.100 -0.007 0.000 0.795 26 P CB 0.333 32.023 31.700 -0.017 0.000 1.038 27 G N 0.336 109.141 108.800 0.007 0.000 2.636 27 G HA2 0.124 4.063 3.960 -0.034 0.000 0.246 27 G HA3 0.124 4.063 3.960 -0.034 0.000 0.246 27 G C -0.527 174.379 174.900 0.009 0.000 1.216 27 G CA -0.356 44.755 45.100 0.018 0.000 0.854 27 G HN 0.457 nan 8.290 nan 0.000 0.572 28 K N 1.814 122.226 120.400 0.021 0.000 2.285 28 K HA 0.266 4.565 4.320 -0.034 0.000 0.286 28 K C -2.022 174.595 176.600 0.028 0.000 1.072 28 K CA -1.552 54.743 56.287 0.012 0.000 0.913 28 K CB 0.978 33.490 32.500 0.021 0.000 1.067 28 K HN 0.222 nan 8.250 nan 0.000 0.479 29 P HA 0.085 nan 4.420 nan 0.000 0.274 29 P C -0.992 176.340 177.300 0.053 0.000 1.231 29 P CA -0.361 62.751 63.100 0.021 0.000 0.790 29 P CB 0.995 32.663 31.700 -0.054 0.000 0.951 30 T N 2.746 117.359 114.554 0.099 0.000 2.770 30 T HA 0.397 4.727 4.350 -0.034 0.000 0.283 30 T C 0.631 175.376 174.700 0.075 0.000 0.988 30 T CA -0.451 61.714 62.100 0.107 0.000 0.957 30 T CB 0.143 69.174 68.868 0.271 0.000 0.930 30 T HN 0.217 nan 8.240 nan 0.000 0.443 31 I N 2.830 123.403 120.570 0.004 0.000 2.710 31 I HA 0.195 4.345 4.170 -0.034 0.000 0.286 31 I C 1.147 177.210 176.117 -0.090 0.000 1.181 31 I CA -0.411 60.892 61.300 0.006 0.000 1.430 31 I CB 0.392 38.372 38.000 -0.033 0.000 1.367 31 I HN 0.636 nan 8.210 nan 0.000 0.577 32 A N 6.928 129.741 122.820 -0.010 0.000 2.425 32 A HA 0.182 4.482 4.320 -0.034 0.000 0.249 32 A C -0.747 176.807 177.584 -0.050 0.000 1.084 32 A CA -0.374 51.646 52.037 -0.028 0.000 0.781 32 A CB 0.079 19.096 19.000 0.028 0.000 1.019 32 A HN 0.683 nan 8.150 nan 0.000 0.490 33 W N 1.235 122.595 121.300 0.100 0.000 2.257 33 W HA 0.402 5.042 4.660 -0.034 0.000 0.337 33 W C 0.945 177.502 176.519 0.064 0.000 1.321 33 W CA 1.678 59.070 57.345 0.077 0.000 1.267 33 W CB 0.474 29.974 29.460 0.067 0.000 1.187 33 W HN 1.075 nan 8.180 nan 0.000 0.565 34 G N 1.769 110.755 108.800 0.311 0.000 2.328 34 G HA2 0.114 4.053 3.960 -0.034 0.000 0.295 34 G HA3 0.114 4.053 3.960 -0.034 0.000 0.295 34 G C -1.576 173.407 174.900 0.138 0.000 1.413 34 G CA -1.463 43.751 45.100 0.191 0.000 0.817 34 G HN 0.440 nan 8.290 nan 0.000 0.546 35 N N -0.394 118.350 118.700 0.073 0.000 2.412 35 N HA 0.279 4.999 4.740 -0.034 0.000 0.258 35 N C 1.285 176.702 175.510 -0.155 0.000 1.236 35 N CA 1.114 54.122 53.050 -0.070 0.000 0.882 35 N CB 0.921 39.321 38.487 -0.145 0.000 1.066 35 N HN 0.729 nan 8.380 nan 0.000 0.465 36 T N -0.590 113.818 114.554 -0.242 0.000 3.145 36 T HA 0.276 4.606 4.350 -0.034 0.000 0.281 36 T C -0.114 174.310 174.700 -0.460 0.000 1.003 36 T CA -0.306 61.692 62.100 -0.170 0.000 0.901 36 T CB -0.160 68.730 68.868 0.037 0.000 1.112 36 T HN 0.379 nan 8.240 nan 0.000 0.535 37 K N 1.237 121.144 120.400 -0.821 0.000 2.394 37 K HA 0.650 4.949 4.320 -0.034 0.000 0.260 37 K C -1.548 174.514 176.600 -0.896 0.000 0.967 37 K CA -0.610 55.297 56.287 -0.634 0.000 0.855 37 K CB 1.322 33.559 32.500 -0.438 0.000 1.101 37 K HN 0.123 nan 8.250 nan 0.000 0.433 38 F N 0.827 120.709 119.950 -0.114 0.000 2.611 38 F HA 0.726 5.233 4.527 -0.034 0.000 0.324 38 F C -0.193 175.522 175.800 -0.141 0.000 1.061 38 F CA -1.071 56.856 58.000 -0.122 0.000 0.954 38 F CB 2.002 40.938 39.000 -0.106 0.000 1.301 38 F HN 0.437 nan 8.300 nan 0.000 0.482 39 A N 1.154 124.014 122.820 0.067 0.000 2.422 39 A HA 0.688 4.988 4.320 -0.034 0.000 0.302 39 A C -0.016 177.586 177.584 0.029 0.000 1.041 39 A CA -0.519 51.504 52.037 -0.023 0.000 0.708 39 A CB 0.900 19.827 19.000 -0.123 0.000 1.257 39 A HN 0.796 nan 8.150 nan 0.000 0.414 40 I N 1.006 121.603 120.570 0.046 0.000 2.480 40 I HA -0.028 4.122 4.170 -0.034 0.000 0.251 40 I C 0.099 176.228 176.117 0.021 0.000 1.124 40 I CA 1.049 62.368 61.300 0.032 0.000 1.444 40 I CB 0.211 38.232 38.000 0.035 0.000 1.098 40 I HN 0.345 nan 8.210 nan 0.000 0.428 41 V N 2.578 122.534 119.914 0.069 0.000 2.311 41 V HA 0.183 4.282 4.120 -0.034 0.000 0.275 41 V C -0.126 176.046 176.094 0.130 0.000 1.022 41 V CA -0.578 61.743 62.300 0.035 0.000 0.830 41 V CB 0.755 32.519 31.823 -0.098 0.000 1.012 41 V HN 0.187 nan 8.190 nan 0.000 0.452 42 E N 2.981 123.208 120.200 0.046 0.000 2.343 42 E HA 0.500 4.830 4.350 -0.034 0.000 0.269 42 E C -0.931 175.713 176.600 0.074 0.000 1.047 42 E CA -0.416 56.009 56.400 0.041 0.000 0.874 42 E CB 2.063 31.771 29.700 0.013 0.000 1.033 42 E HN 0.443 nan 8.360 nan 0.000 0.409 43 V N 2.900 122.859 119.914 0.076 0.000 2.448 43 V HA 0.095 4.195 4.120 -0.034 0.000 0.295 43 V C -0.399 175.741 176.094 0.076 0.000 1.025 43 V CA -0.823 61.545 62.300 0.113 0.000 0.859 43 V CB 1.724 33.646 31.823 0.166 0.000 0.988 43 V HN 0.636 nan 8.190 nan 0.000 0.431 44 D N 3.961 124.407 120.400 0.076 0.000 2.295 44 D HA 0.163 4.783 4.640 -0.034 0.000 0.248 44 D C 0.776 177.128 176.300 0.088 0.000 1.154 44 D CA -0.205 53.836 54.000 0.068 0.000 0.857 44 D CB 1.710 42.541 40.800 0.052 0.000 1.117 44 D HN 0.409 nan 8.370 nan 0.000 0.468 45 Q N 2.281 122.136 119.800 0.091 0.000 2.482 45 Q HA 0.113 4.433 4.340 -0.034 0.000 0.209 45 Q C 0.154 176.212 176.000 0.097 0.000 0.961 45 Q CA 0.321 56.188 55.803 0.108 0.000 0.945 45 Q CB 0.504 29.316 28.738 0.122 0.000 1.012 45 Q HN 0.511 nan 8.270 nan 0.000 0.515 46 A N 0.054 122.921 122.820 0.079 0.000 3.253 46 A HA 0.693 4.993 4.320 -0.034 0.000 0.290 46 A C -0.488 177.135 177.584 0.064 0.000 0.950 46 A CA -0.087 51.990 52.037 0.067 0.000 0.986 46 A CB 0.228 19.258 19.000 0.050 0.000 1.104 46 A HN 0.041 nan 8.150 nan 0.000 0.481 47 A N -0.240 122.627 122.820 0.079 0.000 2.455 47 A HA 0.696 4.996 4.320 -0.034 0.000 0.300 47 A C 0.568 178.212 177.584 0.100 0.000 1.040 47 A CA 0.269 52.353 52.037 0.078 0.000 0.697 47 A CB 0.877 19.920 19.000 0.071 0.000 1.265 47 A HN 0.926 nan 8.150 nan 0.000 0.407 48 T N -1.270 113.340 114.554 0.094 0.000 2.985 48 T HA 0.514 4.844 4.350 -0.034 0.000 0.254 48 T C 0.782 175.558 174.700 0.127 0.000 1.021 48 T CA 0.825 62.992 62.100 0.112 0.000 0.957 48 T CB 0.042 68.963 68.868 0.088 0.000 1.047 48 T HN 1.539 nan 8.240 nan 0.000 0.511 49 A N 0.883 123.770 122.820 0.112 0.000 2.331 49 A HA 0.571 4.871 4.320 -0.034 0.000 0.283 49 A C 0.689 178.381 177.584 0.179 0.000 1.142 49 A CA -0.684 51.432 52.037 0.132 0.000 0.812 49 A CB 0.148 19.203 19.000 0.091 0.000 1.074 49 A HN 0.344 nan 8.150 nan 0.000 0.497 50 Y N 2.870 123.232 120.300 0.103 0.000 2.207 50 Y HA -0.244 4.286 4.550 -0.033 0.000 0.287 50 Y C 1.847 177.824 175.900 0.128 0.000 1.156 50 Y CA 2.534 60.719 58.100 0.142 0.000 1.182 50 Y CB -0.095 38.463 38.460 0.163 0.000 0.979 50 Y HN 0.782 nan 8.280 nan 0.000 0.521 51 N N 0.486 119.212 118.700 0.044 0.000 2.205 51 N HA -0.189 4.531 4.740 -0.034 0.000 0.186 51 N C 1.143 176.611 175.510 -0.070 0.000 1.015 51 N CA 1.873 54.897 53.050 -0.043 0.000 0.862 51 N CB -0.513 37.994 38.487 0.034 0.000 0.986 51 N HN 0.613 nan 8.380 nan 0.000 0.429 52 N N -0.481 118.207 118.700 -0.020 0.000 2.405 52 N HA 0.046 4.766 4.740 -0.034 0.000 0.175 52 N C 1.439 176.945 175.510 -0.007 0.000 1.051 52 N CA -0.138 52.907 53.050 -0.007 0.000 0.899 52 N CB 0.188 38.689 38.487 0.024 0.000 1.000 52 N HN 0.013 nan 8.380 nan 0.000 0.451 53 L N 0.659 121.879 121.223 -0.005 0.000 2.083 53 L HA 0.082 4.402 4.340 -0.034 0.000 0.209 53 L C 0.238 177.126 176.870 0.030 0.000 1.083 53 L CA 1.281 56.149 54.840 0.047 0.000 0.752 53 L CB 0.138 42.268 42.059 0.119 0.000 0.899 53 L HN -0.143 nan 8.230 nan 0.000 0.433 54 V N -0.004 119.863 119.914 -0.079 0.000 2.680 54 V HA 0.370 4.470 4.120 -0.034 0.000 0.309 54 V C -0.516 175.505 176.094 -0.121 0.000 1.052 54 V CA -0.837 61.418 62.300 -0.074 0.000 0.908 54 V CB 1.903 33.666 31.823 -0.100 0.000 1.001 54 V HN 0.197 nan 8.190 nan 0.000 0.431 55 K N 4.114 124.464 120.400 -0.084 0.000 2.604 55 K HA 0.577 4.877 4.320 -0.034 0.000 0.247 55 K C -1.473 175.073 176.600 -0.091 0.000 0.956 55 K CA -0.473 55.765 56.287 -0.082 0.000 0.896 55 K CB 1.778 34.252 32.500 -0.042 0.000 1.131 55 K HN 0.462 nan 8.250 nan 0.000 0.440 56 V N 5.320 125.159 119.914 -0.125 0.000 2.427 56 V HA 0.169 4.269 4.120 -0.034 0.000 0.268 56 V C -0.045 176.004 176.094 -0.075 0.000 1.046 56 V CA -0.132 62.092 62.300 -0.126 0.000 0.970 56 V CB 0.585 32.311 31.823 -0.161 0.000 1.001 56 V HN 0.722 nan 8.190 nan 0.000 0.476 57 K N 3.378 123.746 120.400 -0.053 0.000 2.211 57 K HA 0.438 4.737 4.320 -0.034 0.000 0.237 57 K C 0.442 177.024 176.600 -0.030 0.000 1.002 57 K CA -0.704 55.562 56.287 -0.035 0.000 0.885 57 K CB 1.222 33.707 32.500 -0.024 0.000 1.136 57 K HN 0.416 nan 8.250 nan 0.000 0.448 58 N N -0.179 118.509 118.700 -0.021 0.000 2.494 58 N HA 0.019 4.739 4.740 -0.034 0.000 0.182 58 N C -0.638 174.868 175.510 -0.005 0.000 1.076 58 N CA 0.269 53.312 53.050 -0.013 0.000 0.908 58 N CB 0.485 38.967 38.487 -0.008 0.000 0.967 58 N HN 0.514 nan 8.380 nan 0.000 0.449 59 A N -0.394 122.420 122.820 -0.009 0.000 2.612 59 A HA 0.762 5.062 4.320 -0.034 0.000 0.293 59 A C -1.436 176.134 177.584 -0.023 0.000 1.075 59 A CA -0.807 51.225 52.037 -0.008 0.000 0.680 59 A CB 0.721 19.717 19.000 -0.007 0.000 1.279 59 A HN 0.066 nan 8.150 nan 0.000 0.411 60 A N 0.942 123.744 122.820 -0.031 0.000 2.363 60 A HA 0.549 4.848 4.320 -0.034 0.000 0.270 60 A C -0.491 177.007 177.584 -0.143 0.000 1.121 60 A CA -0.345 51.661 52.037 -0.050 0.000 0.800 60 A CB -0.019 18.973 19.000 -0.014 0.000 1.052 60 A HN 0.645 nan 8.150 nan 0.000 0.493 61 D N 2.060 122.380 120.400 -0.135 0.000 2.338 61 D HA 0.323 4.943 4.640 -0.034 0.000 0.255 61 D C -0.340 175.682 176.300 -0.462 0.000 1.237 61 D CA 0.503 54.367 54.000 -0.227 0.000 0.883 61 D CB 1.187 41.915 40.800 -0.120 0.000 1.087 61 D HN 0.145 nan 8.370 nan 0.000 0.485 62 V N 1.657 121.067 119.914 -0.840 0.000 2.667 62 V HA 0.475 4.574 4.120 -0.034 0.000 0.308 62 V C 0.208 175.606 176.094 -1.160 0.000 1.048 62 V CA -0.515 60.877 62.300 -1.512 0.000 0.928 62 V CB 2.184 32.974 31.823 -1.720 0.000 1.004 62 V HN 0.463 nan 8.190 nan 0.000 0.444 63 S N 2.194 117.402 115.700 -0.820 0.000 2.548 63 S HA 0.887 5.336 4.470 -0.034 0.000 0.286 63 S C -1.389 173.130 174.600 -0.136 0.000 1.098 63 S CA -0.425 57.555 58.200 -0.367 0.000 0.930 63 S CB 1.786 64.906 63.200 -0.134 0.000 1.070 63 S HN 0.509 nan 8.310 nan 0.000 0.480 64 V N 2.717 122.613 119.914 -0.029 0.000 2.888 64 V HA 0.667 4.766 4.120 -0.034 0.000 0.309 64 V C -0.463 175.688 176.094 0.095 0.000 1.114 64 V CA -0.690 61.674 62.300 0.105 0.000 0.940 64 V CB 2.157 34.103 31.823 0.205 0.000 1.021 64 V HN 0.862 nan 8.190 nan 0.000 0.426 65 S N 2.190 117.939 115.700 0.082 0.000 2.638 65 S HA 0.892 5.342 4.470 -0.034 0.000 0.302 65 S C -1.418 173.255 174.600 0.122 0.000 1.096 65 S CA -0.646 57.505 58.200 -0.081 0.000 0.953 65 S CB 2.031 65.120 63.200 -0.185 0.000 1.107 65 S HN 0.886 nan 8.310 nan 0.000 0.503 66 W N 0.432 121.678 121.300 -0.090 0.000 3.118 66 W HA 0.718 5.358 4.660 -0.034 0.000 0.328 66 W C -1.527 174.902 176.519 -0.150 0.000 1.239 66 W CA -0.614 56.670 57.345 -0.102 0.000 1.176 66 W CB 0.662 30.067 29.460 -0.091 0.000 1.433 66 W HN 0.344 nan 8.180 nan 0.000 0.562 67 N N 1.618 120.300 118.700 -0.030 0.000 2.240 67 N HA 0.570 5.290 4.740 -0.034 0.000 0.302 67 N C -2.095 173.231 175.510 -0.307 0.000 1.106 67 N CA -0.741 52.107 53.050 -0.337 0.000 0.778 67 N CB 2.535 40.586 38.487 -0.727 0.000 1.431 67 N HN 0.621 nan 8.380 nan 0.000 0.479 68 L N 1.399 122.406 121.223 -0.360 0.000 2.316 68 L HA 0.451 4.770 4.340 -0.034 0.000 0.280 68 L C -0.275 176.398 176.870 -0.329 0.000 1.006 68 L CA -0.364 54.343 54.840 -0.222 0.000 0.836 68 L CB 0.832 42.865 42.059 -0.042 0.000 1.221 68 L HN 0.629 nan 8.230 nan 0.000 0.418 69 W N 2.582 123.913 121.300 0.051 0.000 2.640 69 W HA 0.189 4.829 4.660 -0.034 0.000 0.268 69 W C 0.276 176.815 176.519 0.033 0.000 1.263 69 W CA -0.161 57.207 57.345 0.038 0.000 1.344 69 W CB 0.308 29.789 29.460 0.034 0.000 1.093 69 W HN 0.482 nan 8.180 nan 0.000 0.603 70 N N -0.684 118.137 118.700 0.201 0.000 2.461 70 N HA 0.547 5.267 4.740 -0.034 0.000 0.284 70 N C -0.174 175.381 175.510 0.075 0.000 1.049 70 N CA 0.359 53.487 53.050 0.130 0.000 0.889 70 N CB 1.887 40.444 38.487 0.118 0.000 1.365 70 N HN 0.052 nan 8.380 nan 0.000 0.499 71 G N 1.154 109.987 108.800 0.055 0.000 2.373 71 G HA2 -0.127 3.813 3.960 -0.034 0.000 0.634 71 G HA3 -0.127 3.813 3.960 -0.034 0.000 0.634 71 G C -1.712 173.203 174.900 0.026 0.000 1.267 71 G CA -0.990 44.132 45.100 0.037 0.000 1.008 71 G HN 0.522 nan 8.290 nan 0.000 0.497 72 D N 0.150 120.562 120.400 0.020 0.000 2.350 72 D HA 0.401 5.021 4.640 -0.034 0.000 0.249 72 D C 1.929 178.239 176.300 0.017 0.000 1.119 72 D CA 0.659 54.668 54.000 0.016 0.000 0.886 72 D CB 1.226 42.033 40.800 0.011 0.000 1.195 72 D HN 0.794 nan 8.370 nan 0.000 0.437 73 T N 0.780 115.348 114.554 0.022 0.000 3.194 73 T HA 0.361 4.691 4.350 -0.034 0.000 0.251 73 T C 1.084 175.802 174.700 0.029 0.000 1.132 73 T CA 0.322 62.443 62.100 0.036 0.000 1.028 73 T CB -0.424 68.480 68.868 0.059 0.000 0.976 73 T HN 0.718 nan 8.240 nan 0.000 0.535 74 G N 1.169 109.977 108.800 0.013 0.000 2.828 74 G HA2 -0.177 3.763 3.960 -0.034 0.000 0.463 74 G HA3 -0.177 3.763 3.960 -0.034 0.000 0.463 74 G C 0.476 175.382 174.900 0.010 0.000 1.394 74 G CA 0.192 45.293 45.100 0.002 0.000 0.862 74 G HN 0.974 nan 8.290 nan 0.000 0.540 75 T N -3.846 110.707 114.554 -0.002 0.000 2.975 75 T HA 0.513 4.843 4.350 -0.034 0.000 0.257 75 T C 0.780 175.478 174.700 -0.004 0.000 1.003 75 T CA 1.388 63.489 62.100 0.002 0.000 0.932 75 T CB 0.648 69.512 68.868 -0.007 0.000 1.087 75 T HN 1.041 nan 8.240 nan 0.000 0.512 76 T N 2.058 116.599 114.554 -0.022 0.000 2.886 76 T HA 0.775 5.105 4.350 -0.034 0.000 0.292 76 T C -0.888 173.785 174.700 -0.045 0.000 1.012 76 T CA -0.615 61.460 62.100 -0.042 0.000 0.982 76 T CB 1.789 70.610 68.868 -0.079 0.000 1.018 76 T HN 0.459 nan 8.240 nan 0.000 0.451 77 A N 3.144 125.956 122.820 -0.013 0.000 2.340 77 A HA 0.871 5.171 4.320 -0.034 0.000 0.331 77 A C -0.545 177.023 177.584 -0.028 0.000 1.140 77 A CA -0.767 51.231 52.037 -0.065 0.000 0.801 77 A CB 0.999 19.995 19.000 -0.007 0.000 1.234 77 A HN 0.755 nan 8.150 nan 0.000 0.469 78 K N 0.572 120.899 120.400 -0.121 0.000 2.469 78 K HA 0.608 4.908 4.320 -0.034 0.000 0.254 78 K C -1.591 174.954 176.600 -0.092 0.000 0.939 78 K CA -0.720 55.538 56.287 -0.047 0.000 0.812 78 K CB 2.675 35.104 32.500 -0.118 0.000 1.301 78 K HN 0.386 nan 8.250 nan 0.000 0.433 79 V N 3.846 123.746 119.914 -0.022 0.000 2.398 79 V HA 0.404 4.504 4.120 -0.034 0.000 0.286 79 V C -0.411 175.552 176.094 -0.217 0.000 1.026 79 V CA -0.841 61.352 62.300 -0.177 0.000 0.868 79 V CB 1.041 32.686 31.823 -0.297 0.000 0.982 79 V HN 0.536 nan 8.190 nan 0.000 0.443 80 L N 5.766 126.895 121.223 -0.156 0.000 2.325 80 L HA 0.636 4.956 4.340 -0.034 0.000 0.278 80 L C -0.711 176.108 176.870 -0.085 0.000 1.023 80 L CA -0.613 54.154 54.840 -0.122 0.000 0.811 80 L CB 1.742 43.753 42.059 -0.080 0.000 1.249 80 L HN 0.401 nan 8.230 nan 0.000 0.431 81 L N 3.635 124.816 121.223 -0.071 0.000 2.319 81 L HA 0.404 4.724 4.340 -0.034 0.000 0.281 81 L C -0.296 176.628 176.870 0.090 0.000 1.005 81 L CA -0.688 54.157 54.840 0.009 0.000 0.828 81 L CB 1.320 43.305 42.059 -0.124 0.000 1.227 81 L HN 0.660 nan 8.230 nan 0.000 0.415 82 N N 3.150 121.920 118.700 0.117 0.000 2.727 82 N HA -0.218 4.502 4.740 -0.034 0.000 0.249 82 N C 0.977 176.512 175.510 0.041 0.000 1.048 82 N CA 1.274 54.377 53.050 0.089 0.000 0.714 82 N CB -0.935 37.628 38.487 0.128 0.000 0.959 82 N HN 1.129 nan 8.380 nan 0.000 0.544 83 G N -1.276 107.531 108.800 0.012 0.000 2.253 83 G HA2 -0.371 3.569 3.960 -0.034 0.000 0.251 83 G HA3 -0.371 3.569 3.960 -0.034 0.000 0.251 83 G C 0.035 174.920 174.900 -0.026 0.000 0.998 83 G CA 0.755 45.849 45.100 -0.010 0.000 0.621 83 G HN 0.675 nan 8.290 nan 0.000 0.524 84 K N 1.293 121.679 120.400 -0.024 0.000 2.213 84 K HA 0.486 4.786 4.320 -0.034 0.000 0.270 84 K C 0.288 176.839 176.600 -0.082 0.000 1.002 84 K CA -0.622 55.640 56.287 -0.042 0.000 0.868 84 K CB 0.811 33.299 32.500 -0.019 0.000 1.093 84 K HN 0.256 nan 8.250 nan 0.000 0.454 85 E N 3.171 123.314 120.200 -0.095 0.000 2.493 85 E HA -0.052 4.278 4.350 -0.034 0.000 0.255 85 E C -0.155 176.344 176.600 -0.169 0.000 0.999 85 E CA 0.109 56.428 56.400 -0.134 0.000 0.934 85 E CB 0.797 30.423 29.700 -0.124 0.000 0.940 85 E HN 0.738 nan 8.360 nan 0.000 0.473 86 A N 5.018 127.676 122.820 -0.270 0.000 2.197 86 A HA 0.127 4.427 4.320 -0.034 0.000 0.210 86 A C -0.334 177.051 177.584 -0.331 0.000 1.180 86 A CA -0.123 51.696 52.037 -0.363 0.000 0.846 86 A CB 0.142 18.743 19.000 -0.665 0.000 0.884 86 A HN 0.752 nan 8.150 nan 0.000 0.487 87 W N -0.439 120.563 121.300 -0.496 0.000 3.363 87 W HA 0.494 5.134 4.660 -0.034 0.000 0.306 87 W C -1.093 175.293 176.519 -0.221 0.000 1.253 87 W CA 0.158 57.305 57.345 -0.330 0.000 1.195 87 W CB 1.185 30.417 29.460 -0.380 0.000 1.366 87 W HN 0.283 nan 8.180 nan 0.000 0.551 88 S N 3.558 118.673 115.700 -0.975 0.000 2.537 88 S HA 0.954 5.404 4.470 -0.034 0.000 0.270 88 S C -0.855 172.889 174.600 -1.428 0.000 1.142 88 S CA -0.194 57.457 58.200 -0.914 0.000 0.870 88 S CB 1.680 64.612 63.200 -0.447 0.000 1.112 88 S HN 1.446 nan 8.310 nan 0.000 0.466 89 G N 0.702 108.888 108.800 -1.023 0.000 2.559 89 G HA2 0.704 4.644 3.960 -0.034 0.000 0.291 89 G HA3 0.704 4.644 3.960 -0.034 0.000 0.291 89 G C -3.641 171.171 174.900 -0.147 0.000 1.424 89 G CA -1.175 43.566 45.100 -0.598 0.000 0.786 89 G HN 0.602 nan 8.290 nan 0.000 0.485 90 P HA 0.290 nan 4.420 nan 0.000 0.271 90 P C -0.208 177.169 177.300 0.128 0.000 1.216 90 P CA -0.025 63.092 63.100 0.027 0.000 0.776 90 P CB 1.465 33.181 31.700 0.027 0.000 0.881 91 S N 1.272 117.039 115.700 0.112 0.000 2.404 91 S HA 0.268 4.718 4.470 -0.034 0.000 0.309 91 S C 0.858 175.533 174.600 0.126 0.000 1.076 91 S CA -0.286 58.020 58.200 0.176 0.000 1.095 91 S CB -0.693 62.588 63.200 0.135 0.000 0.972 91 S HN 0.494 nan 8.310 nan 0.000 0.484 92 T N 1.357 115.989 114.554 0.130 0.000 3.092 92 T HA 0.576 4.905 4.350 -0.034 0.000 0.258 92 T C 0.781 175.509 174.700 0.047 0.000 1.031 92 T CA 0.103 62.246 62.100 0.072 0.000 0.925 92 T CB 0.278 69.183 68.868 0.062 0.000 1.036 92 T HN 0.825 nan 8.240 nan 0.000 0.544 93 G N 0.809 109.643 108.800 0.057 0.000 2.340 93 G HA2 0.381 4.321 3.960 -0.034 0.000 0.299 93 G HA3 0.381 4.321 3.960 -0.034 0.000 0.299 93 G C 0.265 175.170 174.900 0.008 0.000 1.291 93 G CA -0.085 45.022 45.100 0.013 0.000 0.841 93 G HN 0.188 nan 8.290 nan 0.000 0.500 94 S N -0.993 114.677 115.700 -0.051 0.000 2.522 94 S HA 0.339 4.789 4.470 -0.034 0.000 0.227 94 S C 0.948 175.446 174.600 -0.172 0.000 0.986 94 S CA 1.045 59.188 58.200 -0.095 0.000 0.929 94 S CB 0.022 63.133 63.200 -0.149 0.000 0.769 94 S HN 0.728 nan 8.310 nan 0.000 0.529 95 S N -0.369 115.196 115.700 -0.225 0.000 2.599 95 S HA 0.851 5.301 4.470 -0.034 0.000 0.287 95 S C -0.096 174.135 174.600 -0.615 0.000 1.105 95 S CA -0.498 57.443 58.200 -0.433 0.000 0.899 95 S CB 2.003 64.981 63.200 -0.370 0.000 1.100 95 S HN 0.628 nan 8.310 nan 0.000 0.482 96 G N 0.132 108.139 108.800 -1.322 0.000 2.660 96 G HA2 0.647 4.587 3.960 -0.034 0.000 0.290 96 G HA3 0.647 4.587 3.960 -0.034 0.000 0.290 96 G C -1.687 172.169 174.900 -1.741 0.000 1.432 96 G CA -0.489 43.781 45.100 -1.382 0.000 0.807 96 G HN 0.616 nan 8.290 nan 0.000 0.485 97 T N -0.283 113.655 114.554 -1.027 0.000 2.912 97 T HA 0.758 5.088 4.350 -0.034 0.000 0.299 97 T C -0.470 173.964 174.700 -0.443 0.000 1.052 97 T CA -0.011 61.712 62.100 -0.628 0.000 0.996 97 T CB 1.761 70.421 68.868 -0.346 0.000 1.070 97 T HN 1.349 nan 8.240 nan 0.000 0.465 98 A N 3.174 125.751 122.820 -0.405 0.000 2.371 98 A HA 0.833 5.132 4.320 -0.034 0.000 0.311 98 A C -0.858 176.475 177.584 -0.418 0.000 1.068 98 A CA -0.876 50.641 52.037 -0.866 0.000 0.744 98 A CB 0.958 19.089 19.000 -1.449 0.000 1.239 98 A HN 0.707 nan 8.150 nan 0.000 0.435 99 N N 1.312 119.833 118.700 -0.297 0.000 2.314 99 N HA 0.780 5.500 4.740 -0.034 0.000 0.294 99 N C -1.215 174.330 175.510 0.057 0.000 1.029 99 N CA 0.022 52.965 53.050 -0.179 0.000 0.845 99 N CB 1.941 40.369 38.487 -0.099 0.000 1.321 99 N HN 0.649 nan 8.380 nan 0.000 0.481 100 F N -1.314 118.577 119.950 -0.099 0.000 2.779 100 F HA 0.592 5.099 4.527 -0.034 0.000 0.316 100 F C -0.966 174.781 175.800 -0.088 0.000 1.164 100 F CA -1.173 56.825 58.000 -0.003 0.000 0.924 100 F CB 1.372 40.422 39.000 0.084 0.000 1.348 100 F HN -0.040 nan 8.300 nan 0.000 0.467 101 K N 1.175 121.654 120.400 0.131 0.000 2.207 101 K HA 0.783 5.083 4.320 -0.034 0.000 0.255 101 K C -1.660 174.972 176.600 0.053 0.000 0.941 101 K CA -1.097 55.186 56.287 -0.007 0.000 0.825 101 K CB 2.557 35.065 32.500 0.014 0.000 1.119 101 K HN 0.537 nan 8.250 nan 0.000 0.430 102 V N 3.314 123.203 119.914 -0.042 0.000 2.444 102 V HA 0.134 4.233 4.120 -0.034 0.000 0.294 102 V C -0.052 176.042 176.094 -0.001 0.000 1.022 102 V CA -0.860 61.422 62.300 -0.031 0.000 0.850 102 V CB 1.437 33.191 31.823 -0.115 0.000 0.992 102 V HN 0.884 nan 8.190 nan 0.000 0.426 103 N N 2.741 121.456 118.700 0.026 0.000 2.203 103 N HA 0.117 4.837 4.740 -0.034 0.000 0.207 103 N C -0.100 175.452 175.510 0.069 0.000 1.130 103 N CA -0.325 52.748 53.050 0.038 0.000 0.861 103 N CB 0.528 39.032 38.487 0.029 0.000 1.005 103 N HN 0.679 nan 8.380 nan 0.000 0.507 104 K N 0.042 120.513 120.400 0.118 0.000 2.397 104 K HA 0.601 4.901 4.320 -0.034 0.000 0.253 104 K C -0.133 176.606 176.600 0.232 0.000 0.932 104 K CA -0.839 55.544 56.287 0.160 0.000 0.795 104 K CB 1.726 34.331 32.500 0.175 0.000 1.159 104 K HN 0.049 nan 8.250 nan 0.000 0.424 105 G N 1.240 110.140 108.800 0.167 0.000 2.527 105 G HA2 0.539 4.478 3.960 -0.034 0.000 0.248 105 G HA3 0.539 4.478 3.960 -0.034 0.000 0.248 105 G C -0.038 174.944 174.900 0.136 0.000 1.231 105 G CA 0.227 45.433 45.100 0.177 0.000 0.838 105 G HN 0.926 nan 8.290 nan 0.000 0.570 106 G N 0.090 108.954 108.800 0.107 0.000 2.350 106 G HA2 0.326 4.266 3.960 -0.034 0.000 0.282 106 G HA3 0.326 4.266 3.960 -0.034 0.000 0.282 106 G C -1.116 173.705 174.900 -0.132 0.000 1.314 106 G CA -1.074 43.979 45.100 -0.078 0.000 0.915 106 G HN 0.734 nan 8.290 nan 0.000 0.499 107 R N -0.564 119.777 120.500 -0.264 0.000 2.445 107 R HA 0.651 4.971 4.340 -0.034 0.000 0.308 107 R C -1.438 174.697 176.300 -0.276 0.000 0.961 107 R CA -0.546 55.478 56.100 -0.127 0.000 0.862 107 R CB 1.624 31.895 30.300 -0.048 0.000 1.144 107 R HN 0.495 nan 8.270 nan 0.000 0.447 108 Y N 0.545 120.886 120.300 0.068 0.000 2.462 108 Y HA 0.227 4.757 4.550 -0.034 0.000 0.346 108 Y C 0.003 175.936 175.900 0.055 0.000 0.976 108 Y CA -1.091 57.045 58.100 0.060 0.000 1.044 108 Y CB 1.890 40.395 38.460 0.076 0.000 1.230 108 Y HN 0.191 nan 8.280 nan 0.000 0.455 109 Q N 3.913 123.825 119.800 0.187 0.000 2.337 109 Q HA 0.216 4.536 4.340 -0.034 0.000 0.255 109 Q C -0.508 175.563 176.000 0.118 0.000 0.997 109 Q CA -0.059 55.815 55.803 0.119 0.000 0.925 109 Q CB 1.405 30.186 28.738 0.071 0.000 1.212 109 Q HN 0.609 nan 8.270 nan 0.000 0.436 110 M N 3.021 122.686 119.600 0.108 0.000 2.336 110 M HA 0.323 4.783 4.480 -0.034 0.000 0.342 110 M C -1.234 175.087 176.300 0.035 0.000 1.128 110 M CA -0.166 55.182 55.300 0.080 0.000 1.016 110 M CB 1.273 33.944 32.600 0.119 0.000 1.665 110 M HN 0.573 nan 8.290 nan 0.000 0.445 111 Q N 2.580 122.377 119.800 -0.006 0.000 2.397 111 Q HA 0.623 4.942 4.340 -0.034 0.000 0.275 111 Q C -1.439 174.508 176.000 -0.089 0.000 1.090 111 Q CA -0.904 54.877 55.803 -0.037 0.000 0.809 111 Q CB 3.262 31.975 28.738 -0.042 0.000 1.362 111 Q HN 0.610 nan 8.270 nan 0.000 0.431 112 V N 1.407 121.244 119.914 -0.127 0.000 2.427 112 V HA 0.728 4.828 4.120 -0.034 0.000 0.286 112 V C -0.550 175.390 176.094 -0.256 0.000 1.034 112 V CA -0.405 61.734 62.300 -0.268 0.000 0.893 112 V CB 1.273 32.868 31.823 -0.380 0.000 0.982 112 V HN 0.819 nan 8.190 nan 0.000 0.452 113 A N 6.111 128.772 122.820 -0.265 0.000 2.355 113 A HA 0.880 5.180 4.320 -0.034 0.000 0.317 113 A C -0.950 176.500 177.584 -0.224 0.000 1.094 113 A CA -0.597 51.324 52.037 -0.194 0.000 0.764 113 A CB 1.002 19.921 19.000 -0.135 0.000 1.230 113 A HN 0.777 nan 8.150 nan 0.000 0.448 114 L N 1.361 122.480 121.223 -0.173 0.000 2.317 114 L HA 0.549 4.869 4.340 -0.034 0.000 0.281 114 L C -0.724 176.095 176.870 -0.085 0.000 1.024 114 L CA -0.544 54.215 54.840 -0.134 0.000 0.810 114 L CB 1.569 43.568 42.059 -0.100 0.000 1.240 114 L HN 0.702 nan 8.230 nan 0.000 0.427 115 c N 2.232 120.790 118.600 -0.070 0.000 2.634 115 c HA 0.712 5.262 4.570 -0.034 0.000 0.313 115 c C -0.150 173.916 174.090 -0.040 0.000 1.198 115 c CA -0.752 55.544 56.329 -0.056 0.000 1.605 115 c CB 1.434 43.905 42.510 -0.064 0.000 2.196 115 c HN 0.964 nan 8.230 nan 0.000 0.486 116 N N 0.517 119.197 118.700 -0.033 0.000 3.278 116 N HA 0.564 5.284 4.740 -0.034 0.000 0.307 116 N C 0.297 175.792 175.510 -0.025 0.000 1.551 116 N CA -0.204 52.831 53.050 -0.025 0.000 0.794 116 N CB 0.369 38.846 38.487 -0.017 0.000 1.770 116 N HN 0.501 nan 8.380 nan 0.000 0.612 117 A N -0.737 122.070 122.820 -0.021 0.000 1.972 117 A HA -0.116 4.184 4.320 -0.034 0.000 0.219 117 A C 0.865 178.438 177.584 -0.019 0.000 1.169 117 A CA 1.731 53.756 52.037 -0.020 0.000 0.635 117 A CB -0.792 18.198 19.000 -0.017 0.000 0.810 117 A HN 0.659 nan 8.150 nan 0.000 0.446 118 D N -1.037 119.353 120.400 -0.016 0.000 2.349 118 D HA 0.357 4.977 4.640 -0.034 0.000 0.224 118 D C 0.897 177.187 176.300 -0.017 0.000 1.029 118 D CA 1.333 55.324 54.000 -0.014 0.000 0.879 118 D CB 0.417 41.211 40.800 -0.011 0.000 0.906 118 D HN 0.561 nan 8.370 nan 0.000 0.528 119 G N -1.241 107.546 108.800 -0.021 0.000 2.352 119 G HA2 0.152 4.091 3.960 -0.034 0.000 0.302 119 G HA3 0.152 4.091 3.960 -0.034 0.000 0.302 119 G C -1.478 173.404 174.900 -0.031 0.000 1.370 119 G CA -0.834 44.252 45.100 -0.025 0.000 0.918 119 G HN 0.115 nan 8.290 nan 0.000 0.610 120 c N 0.194 118.772 118.600 -0.036 0.000 2.417 120 c HA 0.895 5.445 4.570 -0.034 0.000 0.324 120 c C 0.194 174.258 174.090 -0.043 0.000 1.240 120 c CA -0.363 55.938 56.329 -0.046 0.000 1.632 120 c CB 1.162 43.639 42.510 -0.054 0.000 2.241 120 c HN 0.846 nan 8.230 nan 0.000 0.499 121 T N 2.544 117.068 114.554 -0.051 0.000 2.847 121 T HA 0.658 4.988 4.350 -0.034 0.000 0.291 121 T C -0.267 174.398 174.700 -0.060 0.000 0.998 121 T CA -0.118 61.956 62.100 -0.043 0.000 0.967 121 T CB 1.381 70.230 68.868 -0.031 0.000 0.954 121 T HN 0.887 nan 8.240 nan 0.000 0.441 122 A N 2.882 125.671 122.820 -0.052 0.000 2.312 122 A HA 0.797 5.097 4.320 -0.034 0.000 0.326 122 A C 0.699 178.253 177.584 -0.050 0.000 1.172 122 A CA -0.794 51.205 52.037 -0.065 0.000 0.821 122 A CB 0.553 19.519 19.000 -0.056 0.000 1.166 122 A HN 0.900 nan 8.150 nan 0.000 0.493 123 S N 1.990 117.653 115.700 -0.061 0.000 2.596 123 S HA 0.188 4.638 4.470 -0.034 0.000 0.260 123 S C -0.124 174.461 174.600 -0.025 0.000 1.336 123 S CA -0.507 57.670 58.200 -0.038 0.000 0.993 123 S CB 0.120 63.295 63.200 -0.043 0.000 0.923 123 S HN 0.646 nan 8.310 nan 0.000 0.567 124 D N 1.055 121.446 120.400 -0.015 0.000 2.390 124 D HA 0.389 5.008 4.640 -0.034 0.000 0.236 124 D C 0.376 176.669 176.300 -0.012 0.000 1.189 124 D CA 0.447 54.441 54.000 -0.011 0.000 0.887 124 D CB 0.343 41.137 40.800 -0.009 0.000 1.198 124 D HN 0.846 nan 8.370 nan 0.000 0.444 125 A N 1.369 124.188 122.820 -0.001 0.000 2.401 125 A HA 0.425 4.724 4.320 -0.034 0.000 0.259 125 A C 0.183 177.777 177.584 0.015 0.000 1.103 125 A CA -0.107 51.936 52.037 0.011 0.000 0.789 125 A CB 0.406 19.418 19.000 0.020 0.000 1.035 125 A HN 0.390 nan 8.150 nan 0.000 0.491 126 T N 2.122 116.693 114.554 0.029 0.000 2.792 126 T HA 0.310 4.640 4.350 -0.034 0.000 0.280 126 T C -0.156 174.592 174.700 0.080 0.000 0.990 126 T CA -0.349 61.776 62.100 0.042 0.000 0.960 126 T CB 1.038 69.924 68.868 0.030 0.000 0.939 126 T HN 0.770 nan 8.240 nan 0.000 0.439 127 E N 3.587 123.836 120.200 0.082 0.000 2.376 127 E HA 0.319 4.649 4.350 -0.034 0.000 0.266 127 E C -0.338 176.344 176.600 0.136 0.000 1.009 127 E CA -0.352 56.110 56.400 0.103 0.000 0.902 127 E CB 0.408 30.152 29.700 0.073 0.000 0.972 127 E HN 0.621 nan 8.360 nan 0.000 0.439 128 I N 0.755 121.444 120.570 0.198 0.000 2.646 128 I HA 0.528 4.678 4.170 -0.034 0.000 0.299 128 I C -1.101 175.175 176.117 0.265 0.000 1.036 128 I CA -1.184 60.267 61.300 0.250 0.000 1.074 128 I CB 2.047 40.259 38.000 0.354 0.000 1.258 128 I HN 0.123 nan 8.210 nan 0.000 0.430 129 V N 5.804 125.848 119.914 0.216 0.000 2.378 129 V HA 0.358 4.458 4.120 -0.034 0.000 0.288 129 V C -0.072 176.152 176.094 0.217 0.000 1.016 129 V CA -0.599 61.803 62.300 0.170 0.000 0.840 129 V CB 1.516 33.375 31.823 0.060 0.000 0.994 129 V HN 0.577 nan 8.190 nan 0.000 0.431 130 V N 4.937 125.008 119.914 0.262 0.000 2.311 130 V HA 0.622 4.722 4.120 -0.034 0.000 0.275 130 V C 0.671 176.822 176.094 0.095 0.000 1.022 130 V CA -0.515 61.919 62.300 0.222 0.000 0.830 130 V CB 1.361 33.371 31.823 0.311 0.000 1.012 130 V HN 0.953 nan 8.190 nan 0.000 0.452 131 A N 3.919 126.681 122.820 -0.096 0.000 2.388 131 A HA 0.652 4.952 4.320 -0.034 0.000 0.257 131 A C -0.253 177.278 177.584 -0.088 0.000 1.095 131 A CA 0.030 51.791 52.037 -0.460 0.000 0.791 131 A CB 0.650 19.166 19.000 -0.808 0.000 1.029 131 A HN 0.771 nan 8.150 nan 0.000 0.489 132 D N -0.834 119.595 120.400 0.049 0.000 2.596 132 D HA 0.389 5.009 4.640 -0.034 0.000 0.262 132 D C 0.815 177.224 176.300 0.181 0.000 1.210 132 D CA 0.436 54.531 54.000 0.158 0.000 0.873 132 D CB 1.514 42.380 40.800 0.109 0.000 1.408 132 D HN 0.438 nan 8.370 nan 0.000 0.441 133 T N -1.898 112.647 114.554 -0.015 0.000 3.169 133 T HA 0.030 4.360 4.350 -0.034 0.000 0.250 133 T C 0.750 175.540 174.700 0.149 0.000 1.111 133 T CA 0.317 62.386 62.100 -0.052 0.000 1.010 133 T CB -0.185 68.621 68.868 -0.103 0.000 0.984 133 T HN 0.376 nan 8.240 nan 0.000 0.537 134 D N 1.098 121.574 120.400 0.126 0.000 2.355 134 D HA 0.155 4.775 4.640 -0.034 0.000 0.218 134 D C 1.679 178.041 176.300 0.103 0.000 1.004 134 D CA 0.562 54.634 54.000 0.120 0.000 0.880 134 D CB -0.831 40.016 40.800 0.079 0.000 0.911 134 D HN 0.545 nan 8.370 nan 0.000 0.528 135 G N 0.383 109.281 108.800 0.163 0.000 2.141 135 G HA2 -0.352 3.588 3.960 -0.034 0.000 0.242 135 G HA3 -0.352 3.588 3.960 -0.034 0.000 0.242 135 G C 1.111 176.012 174.900 0.001 0.000 0.982 135 G CA 0.840 45.962 45.100 0.037 0.000 0.662 135 G HN 0.613 nan 8.290 nan 0.000 0.527 136 S N 0.416 116.204 115.700 0.147 0.000 2.442 136 S HA -0.130 4.320 4.470 -0.034 0.000 0.236 136 S C 1.901 176.555 174.600 0.089 0.000 1.007 136 S CA 1.621 59.873 58.200 0.086 0.000 0.965 136 S CB -0.561 62.696 63.200 0.096 0.000 0.773 136 S HN 1.075 nan 8.310 nan 0.000 0.504 137 H N 0.506 119.589 119.070 0.021 0.000 2.548 137 H HA 0.428 4.963 4.556 -0.034 0.000 0.265 137 H C 0.477 175.794 175.328 -0.018 0.000 0.969 137 H CA -0.343 55.708 56.048 0.005 0.000 1.155 137 H CB -0.407 29.375 29.762 0.034 0.000 1.394 137 H HN 0.364 nan 8.280 nan 0.000 0.570 138 L N 1.258 122.188 121.223 -0.489 0.000 2.344 138 L HA 0.575 4.894 4.340 -0.034 0.000 0.272 138 L C 0.545 177.284 176.870 -0.218 0.000 1.035 138 L CA -1.023 53.567 54.840 -0.416 0.000 0.807 138 L CB 1.557 43.318 42.059 -0.496 0.000 1.237 138 L HN 0.144 nan 8.230 nan 0.000 0.442 139 A N 2.849 125.568 122.820 -0.168 0.000 2.366 139 A HA 0.477 4.777 4.320 -0.034 0.000 0.249 139 A C -2.349 175.149 177.584 -0.142 0.000 1.084 139 A CA -1.052 50.907 52.037 -0.129 0.000 0.794 139 A CB -0.485 18.453 19.000 -0.104 0.000 1.034 139 A HN 0.415 nan 8.150 nan 0.000 0.491 140 P HA 0.184 nan 4.420 nan 0.000 0.271 140 P C -0.664 176.555 177.300 -0.135 0.000 1.220 140 P CA -0.087 62.926 63.100 -0.144 0.000 0.768 140 P CB 0.388 31.997 31.700 -0.153 0.000 0.848 141 L N 4.858 125.999 121.223 -0.136 0.000 2.358 141 L HA 0.202 4.522 4.340 -0.034 0.000 0.274 141 L C 0.414 177.231 176.870 -0.089 0.000 1.136 141 L CA 0.089 54.862 54.840 -0.112 0.000 0.970 141 L CB -0.766 41.223 42.059 -0.117 0.000 1.314 141 L HN 0.236 nan 8.230 nan 0.000 0.427 142 K N 3.260 123.607 120.400 -0.088 0.000 2.484 142 K HA 0.444 4.744 4.320 -0.034 0.000 0.226 142 K C -0.819 175.760 176.600 -0.034 0.000 1.031 142 K CA -0.592 55.658 56.287 -0.061 0.000 1.026 142 K CB 0.931 33.359 32.500 -0.120 0.000 1.412 142 K HN 0.240 nan 8.250 nan 0.000 0.492 143 E N 3.028 123.219 120.200 -0.016 0.000 2.283 143 E HA 0.311 4.641 4.350 -0.034 0.000 0.271 143 E C -2.047 174.550 176.600 -0.006 0.000 1.031 143 E CA -2.026 54.359 56.400 -0.024 0.000 0.868 143 E CB 0.748 30.421 29.700 -0.044 0.000 1.094 143 E HN 0.558 nan 8.360 nan 0.000 0.401 144 P HA 0.112 nan 4.420 nan 0.000 0.269 144 P C -0.000 177.302 177.300 0.003 0.000 1.209 144 P CA -0.083 63.015 63.100 -0.004 0.000 0.776 144 P CB 0.515 32.210 31.700 -0.009 0.000 0.876 145 L N 2.294 123.526 121.223 0.015 0.000 2.490 145 L HA 0.090 4.409 4.340 -0.034 0.000 0.274 145 L C 0.838 177.724 176.870 0.027 0.000 1.201 145 L CA 0.154 55.011 54.840 0.028 0.000 0.869 145 L CB -0.271 41.810 42.059 0.036 0.000 1.123 145 L HN 0.259 nan 8.230 nan 0.000 0.484 146 L N 2.711 123.957 121.223 0.038 0.000 2.335 146 L HA 0.435 4.755 4.340 -0.034 0.000 0.268 146 L C 0.780 177.688 176.870 0.063 0.000 1.016 146 L CA -0.672 54.192 54.840 0.040 0.000 0.805 146 L CB 1.170 43.248 42.059 0.032 0.000 1.311 146 L HN 0.734 nan 8.230 nan 0.000 0.456 147 E N -0.074 120.161 120.200 0.058 0.000 3.360 147 E HA -0.349 3.981 4.350 -0.034 0.000 0.397 147 E C 0.454 177.091 176.600 0.061 0.000 1.549 147 E CA 1.920 58.358 56.400 0.064 0.000 1.539 147 E CB -0.542 29.213 29.700 0.091 0.000 1.621 147 E HN 0.578 nan 8.360 nan 0.000 0.465 148 K N 1.232 121.678 120.400 0.077 0.000 2.372 148 K HA 0.197 4.497 4.320 -0.034 0.000 0.200 148 K C -0.163 176.491 176.600 0.091 0.000 1.022 148 K CA -0.204 56.130 56.287 0.077 0.000 1.125 148 K CB 0.101 32.654 32.500 0.087 0.000 0.855 148 K HN 0.199 nan 8.250 nan 0.000 0.524 149 N N 2.715 121.472 118.700 0.095 0.000 2.454 149 N HA 0.025 4.745 4.740 -0.034 0.000 0.260 149 N C -0.524 175.045 175.510 0.098 0.000 1.218 149 N CA 0.806 53.922 53.050 0.110 0.000 0.904 149 N CB 0.768 39.317 38.487 0.104 0.000 1.065 149 N HN 0.069 nan 8.380 nan 0.000 0.462 150 K N 2.281 122.762 120.400 0.135 0.000 2.267 150 K HA 0.478 4.777 4.320 -0.034 0.000 0.246 150 K C -2.450 174.162 176.600 0.020 0.000 0.954 150 K CA -1.698 54.620 56.287 0.050 0.000 0.824 150 K CB 1.735 34.245 32.500 0.017 0.000 1.167 150 K HN 0.317 nan 8.250 nan 0.000 0.431 151 P HA 0.098 nan 4.420 nan 0.000 0.282 151 P C -1.421 175.690 177.300 -0.315 0.000 1.262 151 P CA 0.028 63.070 63.100 -0.096 0.000 0.773 151 P CB 0.319 31.972 31.700 -0.078 0.000 0.879 152 Y N 0.997 121.307 120.300 0.017 0.000 2.485 152 Y HA 0.386 4.916 4.550 -0.034 0.000 0.345 152 Y C 1.004 176.915 175.900 0.018 0.000 0.998 152 Y CA -0.767 57.343 58.100 0.018 0.000 1.059 152 Y CB 2.267 40.738 38.460 0.018 0.000 1.234 152 Y HN 0.148 nan 8.280 nan 0.000 0.461 153 K N 2.027 122.522 120.400 0.157 0.000 2.205 153 K HA 0.204 4.504 4.320 -0.034 0.000 0.279 153 K C -0.565 176.107 176.600 0.121 0.000 1.027 153 K CA -0.774 55.578 56.287 0.108 0.000 0.932 153 K CB 0.633 33.176 32.500 0.072 0.000 1.032 153 K HN 0.475 nan 8.250 nan 0.000 0.466 154 Q N 3.275 123.128 119.800 0.088 0.000 2.664 154 Q HA 0.007 4.327 4.340 -0.034 0.000 0.223 154 Q C -0.034 176.005 176.000 0.066 0.000 1.298 154 Q CA 0.128 55.975 55.803 0.075 0.000 0.965 154 Q CB -0.193 28.581 28.738 0.059 0.000 1.510 154 Q HN 0.563 nan 8.270 nan 0.000 0.567 155 N N -1.431 117.310 118.700 0.068 0.000 2.160 155 N HA -0.070 4.650 4.740 -0.034 0.000 0.226 155 N C 0.709 176.250 175.510 0.053 0.000 1.256 155 N CA 0.170 53.254 53.050 0.056 0.000 0.890 155 N CB 0.099 38.618 38.487 0.053 0.000 1.116 155 N HN 0.120 nan 8.380 nan 0.000 0.517 156 S N -0.677 115.056 115.700 0.055 0.000 2.489 156 S HA 0.199 4.648 4.470 -0.034 0.000 0.228 156 S C 1.663 176.291 174.600 0.047 0.000 0.995 156 S CA 0.669 58.897 58.200 0.047 0.000 0.934 156 S CB -0.829 62.397 63.200 0.043 0.000 0.771 156 S HN 0.612 nan 8.310 nan 0.000 0.522 157 G N 0.970 109.802 108.800 0.054 0.000 2.168 157 G HA2 -0.232 3.707 3.960 -0.034 0.000 0.263 157 G HA3 -0.232 3.707 3.960 -0.034 0.000 0.263 157 G C -0.009 174.933 174.900 0.070 0.000 0.977 157 G CA 0.507 45.643 45.100 0.061 0.000 0.659 157 G HN 0.517 nan 8.290 nan 0.000 0.533 158 K N 0.034 120.472 120.400 0.065 0.000 2.118 158 K HA 0.631 4.931 4.320 -0.034 0.000 0.254 158 K C 0.593 177.239 176.600 0.077 0.000 0.961 158 K CA -0.883 55.443 56.287 0.065 0.000 0.876 158 K CB 1.980 34.509 32.500 0.050 0.000 1.077 158 K HN 0.067 nan 8.250 nan 0.000 0.440 159 V N 2.009 121.959 119.914 0.060 0.000 2.585 159 V HA 0.066 4.166 4.120 -0.034 0.000 0.296 159 V C 0.034 176.188 176.094 0.100 0.000 1.035 159 V CA -0.273 62.058 62.300 0.051 0.000 1.084 159 V CB 0.910 32.664 31.823 -0.115 0.000 0.953 159 V HN 0.346 nan 8.190 nan 0.000 0.483 160 V N 4.877 124.869 119.914 0.131 0.000 2.357 160 V HA 0.718 4.818 4.120 -0.034 0.000 0.281 160 V C 0.468 176.647 176.094 0.142 0.000 1.015 160 V CA -0.199 62.168 62.300 0.112 0.000 0.827 160 V CB 1.277 33.134 31.823 0.057 0.000 1.018 160 V HN 0.976 nan 8.190 nan 0.000 0.432 161 G N 2.063 110.964 108.800 0.169 0.000 2.498 161 G HA2 0.759 4.699 3.960 -0.034 0.000 0.312 161 G HA3 0.759 4.699 3.960 -0.034 0.000 0.312 161 G C -1.031 173.942 174.900 0.121 0.000 1.230 161 G CA -0.621 44.561 45.100 0.136 0.000 0.968 161 G HN 0.665 nan 8.290 nan 0.000 0.481 162 S N -1.084 114.633 115.700 0.028 0.000 2.565 162 S HA 0.607 5.057 4.470 -0.034 0.000 0.269 162 S C -1.869 172.692 174.600 -0.065 0.000 1.153 162 S CA -0.594 57.645 58.200 0.064 0.000 0.835 162 S CB 1.035 64.254 63.200 0.033 0.000 1.122 162 S HN 0.426 nan 8.310 nan 0.000 0.462 163 Y N 1.840 122.092 120.300 -0.079 0.000 2.334 163 Y HA 0.582 5.112 4.550 -0.033 0.000 0.328 163 Y C -0.270 175.438 175.900 -0.320 0.000 1.130 163 Y CA -0.329 57.646 58.100 -0.208 0.000 1.163 163 Y CB 1.092 39.311 38.460 -0.401 0.000 1.207 163 Y HN 0.598 nan 8.280 nan 0.000 0.471 164 F N 4.444 124.222 119.950 -0.287 0.000 2.458 164 F HA 0.633 5.140 4.527 -0.033 0.000 0.336 164 F C -0.846 174.593 175.800 -0.601 0.000 1.114 164 F CA -1.191 56.599 58.000 -0.350 0.000 0.987 164 F CB 0.872 39.800 39.000 -0.120 0.000 1.130 164 F HN 0.225 nan 8.300 nan 0.000 0.458 165 V N 3.563 122.657 119.914 -1.368 0.000 2.435 165 V HA 0.423 4.522 4.120 -0.034 0.000 0.290 165 V C 0.934 176.118 176.094 -1.517 0.000 1.030 165 V CA -0.486 60.844 62.300 -1.616 0.000 0.881 165 V CB 1.549 32.083 31.823 -2.148 0.000 0.983 165 V HN 1.022 nan 8.190 nan 0.000 0.445 166 E N 3.667 123.218 120.200 -1.081 0.000 2.085 166 E HA -0.211 4.119 4.350 -0.034 0.000 0.194 166 E C 1.417 177.854 176.600 -0.271 0.000 0.994 166 E CA 2.484 58.654 56.400 -0.384 0.000 0.801 166 E CB -0.086 29.605 29.700 -0.014 0.000 0.743 166 E HN 1.002 nan 8.360 nan 0.000 0.453 167 W N -0.632 120.572 121.300 -0.162 0.000 3.180 167 W HA 0.366 5.005 4.660 -0.034 0.000 0.254 167 W C 1.480 177.886 176.519 -0.188 0.000 1.318 167 W CA 0.119 57.419 57.345 -0.074 0.000 1.608 167 W CB -0.550 28.926 29.460 0.025 0.000 1.124 167 W HN -0.025 nan 8.180 nan 0.000 0.694 168 G N 1.615 110.007 108.800 -0.680 0.000 2.598 168 G HA2 -0.159 3.780 3.960 -0.034 0.000 0.215 168 G HA3 -0.159 3.780 3.960 -0.034 0.000 0.215 168 G C 1.302 175.995 174.900 -0.344 0.000 1.131 168 G CA 1.304 46.053 45.100 -0.583 0.000 0.785 168 G HN 0.483 nan 8.290 nan 0.000 0.539 169 V N -2.828 116.874 119.914 -0.354 0.000 3.217 169 V HA 0.129 4.229 4.120 -0.034 0.000 0.264 169 V C 1.770 177.715 176.094 -0.249 0.000 1.135 169 V CA 0.320 62.450 62.300 -0.282 0.000 1.142 169 V CB -0.927 30.709 31.823 -0.311 0.000 0.754 169 V HN 0.241 nan 8.190 nan 0.000 0.484 170 Y N 2.288 122.589 120.300 0.002 0.000 3.173 170 Y HA 0.551 5.081 4.550 -0.034 0.000 0.210 170 Y C 2.707 178.600 175.900 -0.011 0.000 0.894 170 Y CA 1.033 59.151 58.100 0.030 0.000 0.986 170 Y CB -1.269 37.224 38.460 0.055 0.000 1.094 170 Y HN 0.086 nan 8.280 nan 0.000 0.463 171 G N -0.005 108.897 108.800 0.170 0.000 2.440 171 G HA2 -0.231 3.709 3.960 -0.034 0.000 0.218 171 G HA3 -0.231 3.709 3.960 -0.034 0.000 0.218 171 G C 1.575 176.410 174.900 -0.108 0.000 1.154 171 G CA 0.948 46.092 45.100 0.075 0.000 0.767 171 G HN 0.312 nan 8.290 nan 0.000 0.552 172 R N -0.431 119.784 120.500 -0.475 0.000 2.189 172 R HA -0.016 4.304 4.340 -0.034 0.000 0.223 172 R C 1.218 177.492 176.300 -0.044 0.000 1.092 172 R CA 0.564 56.369 56.100 -0.492 0.000 0.989 172 R CB -0.228 29.670 30.300 -0.669 0.000 0.876 172 R HN 0.357 nan 8.270 nan 0.000 0.457 173 N N -0.669 118.022 118.700 -0.016 0.000 2.721 173 N HA -0.249 4.471 4.740 -0.034 0.000 0.249 173 N C -1.451 174.095 175.510 0.059 0.000 1.072 173 N CA 0.537 53.611 53.050 0.039 0.000 0.710 173 N CB -1.069 37.466 38.487 0.081 0.000 0.993 173 N HN 0.227 nan 8.380 nan 0.000 0.547 174 F N 0.844 120.721 119.950 -0.120 0.000 2.347 174 F HA 0.462 4.969 4.527 -0.033 0.000 0.366 174 F C 0.618 176.425 175.800 0.012 0.000 1.107 174 F CA -0.072 57.882 58.000 -0.076 0.000 1.058 174 F CB 0.648 39.558 39.000 -0.150 0.000 1.236 174 F HN 0.122 nan 8.300 nan 0.000 0.456 175 T N 1.260 115.723 114.554 -0.151 0.000 2.948 175 T HA 0.343 4.673 4.350 -0.034 0.000 0.285 175 T C 1.008 175.683 174.700 -0.042 0.000 1.019 175 T CA -0.759 61.365 62.100 0.040 0.000 1.013 175 T CB 1.528 70.352 68.868 -0.074 0.000 1.117 175 T HN 0.234 nan 8.240 nan 0.000 0.533 176 V N 1.787 121.613 119.914 -0.147 0.000 2.469 176 V HA -0.169 3.931 4.120 -0.034 0.000 0.251 176 V C 2.548 178.492 176.094 -0.249 0.000 1.064 176 V CA 2.279 64.355 62.300 -0.373 0.000 1.066 176 V CB -0.949 30.603 31.823 -0.451 0.000 0.667 176 V HN 1.040 nan 8.190 nan 0.000 0.461 177 D N 0.135 120.408 120.400 -0.211 0.000 2.350 177 D HA -0.204 4.416 4.640 -0.034 0.000 0.216 177 D C 1.650 177.828 176.300 -0.203 0.000 0.968 177 D CA 0.802 54.697 54.000 -0.176 0.000 0.894 177 D CB -0.176 40.538 40.800 -0.145 0.000 0.909 177 D HN 0.425 nan 8.370 nan 0.000 0.520 178 K N 0.151 120.344 120.400 -0.344 0.000 2.426 178 K HA 0.198 4.498 4.320 -0.034 0.000 0.193 178 K C 0.823 177.275 176.600 -0.248 0.000 1.028 178 K CA -0.169 55.847 56.287 -0.453 0.000 1.047 178 K CB 0.624 32.512 32.500 -1.019 0.000 0.821 178 K HN 0.184 nan 8.250 nan 0.000 0.513 179 I N 4.034 124.549 120.570 -0.092 0.000 2.618 179 I HA -0.003 4.147 4.170 -0.034 0.000 0.284 179 I C -1.801 174.344 176.117 0.046 0.000 1.146 179 I CA -1.724 59.647 61.300 0.119 0.000 1.425 179 I CB 0.528 38.556 38.000 0.046 0.000 1.383 179 I HN -0.121 nan 8.210 nan 0.000 0.562 180 P HA 0.111 nan 4.420 nan 0.000 0.230 180 P C 0.330 177.618 177.300 -0.020 0.000 1.791 180 P CA -0.087 63.040 63.100 0.044 0.000 1.020 180 P CB 0.506 32.256 31.700 0.083 0.000 1.977 181 A N 2.841 125.601 122.820 -0.100 0.000 2.014 181 A HA -0.187 4.113 4.320 -0.034 0.000 0.218 181 A C 2.222 179.547 177.584 -0.431 0.000 1.163 181 A CA 1.061 52.941 52.037 -0.262 0.000 0.652 181 A CB -0.735 18.056 19.000 -0.347 0.000 0.808 181 A HN 0.485 nan 8.150 nan 0.000 0.449 182 Q N -0.525 119.071 119.800 -0.339 0.000 2.291 182 Q HA -0.147 4.173 4.340 -0.034 0.000 0.206 182 Q C 0.316 176.285 176.000 -0.053 0.000 0.976 182 Q CA 1.492 57.186 55.803 -0.181 0.000 0.875 182 Q CB -0.432 28.330 28.738 0.040 0.000 0.927 182 Q HN 0.470 nan 8.270 nan 0.000 0.450 183 N N 0.367 119.058 118.700 -0.016 0.000 2.313 183 N HA 0.286 5.005 4.740 -0.034 0.000 0.207 183 N C -0.710 174.806 175.510 0.010 0.000 1.141 183 N CA 0.243 53.322 53.050 0.048 0.000 0.830 183 N CB 0.434 38.977 38.487 0.093 0.000 1.008 183 N HN 0.232 nan 8.380 nan 0.000 0.481 184 L N -0.825 120.381 121.223 -0.027 0.000 2.354 184 L HA 0.373 4.693 4.340 -0.034 0.000 0.264 184 L C 1.437 178.306 176.870 -0.003 0.000 1.008 184 L CA -0.490 54.347 54.840 -0.005 0.000 0.819 184 L CB 2.109 44.154 42.059 -0.024 0.000 1.339 184 L HN -0.045 nan 8.230 nan 0.000 0.420 185 T N -3.733 110.857 114.554 0.059 0.000 3.040 185 T HA 0.144 4.474 4.350 -0.034 0.000 0.252 185 T C 0.336 174.982 174.700 -0.090 0.000 1.064 185 T CA 0.484 62.608 62.100 0.040 0.000 1.110 185 T CB -0.025 68.948 68.868 0.176 0.000 0.921 185 T HN 0.520 nan 8.240 nan 0.000 0.480 186 H N -0.172 118.900 119.070 0.003 0.000 2.759 186 H HA 0.700 5.236 4.556 -0.034 0.000 0.354 186 H C -1.712 173.587 175.328 -0.050 0.000 1.074 186 H CA -0.905 55.144 56.048 0.002 0.000 1.226 186 H CB 1.949 31.727 29.762 0.027 0.000 1.648 186 H HN 0.149 nan 8.280 nan 0.000 0.529 187 L N 4.129 125.375 121.223 0.038 0.000 2.372 187 L HA 0.482 4.802 4.340 -0.034 0.000 0.273 187 L C -1.842 175.020 176.870 -0.013 0.000 0.989 187 L CA -0.445 54.388 54.840 -0.011 0.000 0.841 187 L CB 0.688 42.742 42.059 -0.009 0.000 1.225 187 L HN 0.494 nan 8.230 nan 0.000 0.414 188 L N 5.143 126.249 121.223 -0.195 0.000 2.309 188 L HA 0.436 4.756 4.340 -0.034 0.000 0.282 188 L C -1.018 175.837 176.870 -0.025 0.000 1.036 188 L CA -0.327 54.360 54.840 -0.255 0.000 0.806 188 L CB 1.330 42.797 42.059 -0.988 0.000 1.220 188 L HN 0.540 nan 8.230 nan 0.000 0.429 189 Y N 1.761 122.097 120.300 0.060 0.000 2.369 189 Y HA 0.664 5.194 4.550 -0.033 0.000 0.337 189 Y C 0.344 176.312 175.900 0.114 0.000 0.961 189 Y CA -0.765 57.440 58.100 0.176 0.000 1.186 189 Y CB 1.249 39.926 38.460 0.360 0.000 1.139 189 Y HN 0.569 nan 8.280 nan 0.000 0.494 190 G N 5.875 114.401 108.800 -0.458 0.000 2.368 190 G HA2 0.559 4.499 3.960 -0.034 0.000 0.320 190 G HA3 0.559 4.499 3.960 -0.034 0.000 0.320 190 G C -1.747 172.834 174.900 -0.531 0.000 1.158 190 G CA -0.297 44.331 45.100 -0.787 0.000 0.912 190 G HN 0.472 nan 8.290 nan 0.000 0.456 191 F N 1.061 121.175 119.950 0.273 0.000 2.626 191 F HA 0.489 4.996 4.527 -0.034 0.000 0.311 191 F C -0.262 175.745 175.800 0.345 0.000 1.088 191 F CA -1.207 57.002 58.000 0.349 0.000 0.949 191 F CB 2.077 41.312 39.000 0.392 0.000 1.322 191 F HN 0.148 nan 8.300 nan 0.000 0.461 192 I N 4.471 125.323 120.570 0.470 0.000 2.315 192 I HA 0.298 4.448 4.170 -0.034 0.000 0.291 192 I C -2.307 173.881 176.117 0.119 0.000 1.006 192 I CA -2.671 58.767 61.300 0.230 0.000 1.265 192 I CB 0.918 38.895 38.000 -0.038 0.000 1.387 192 I HN 0.225 nan 8.210 nan 0.000 0.475 193 P HA 0.441 nan 4.420 nan 0.000 0.282 193 P C -0.706 176.494 177.300 -0.167 0.000 1.259 193 P CA -0.537 62.491 63.100 -0.120 0.000 0.826 193 P CB 1.879 33.427 31.700 -0.254 0.000 1.064 194 I N 1.222 121.643 120.570 -0.247 0.000 2.336 194 I HA 0.206 4.356 4.170 -0.034 0.000 0.292 194 I C 0.624 176.548 176.117 -0.321 0.000 0.991 194 I CA -0.785 60.361 61.300 -0.256 0.000 1.227 194 I CB 0.989 38.755 38.000 -0.390 0.000 1.366 194 I HN 0.266 nan 8.210 nan 0.000 0.466 195 c N 4.930 123.366 118.600 -0.273 0.000 2.657 195 c HA 0.561 5.111 4.570 -0.034 0.000 0.420 195 c C 0.861 174.679 174.090 -0.453 0.000 1.323 195 c CA 0.128 56.279 56.329 -0.297 0.000 1.894 195 c CB -0.884 41.513 42.510 -0.188 0.000 2.681 195 c HN 1.017 nan 8.230 nan 0.000 0.613 196 G N 2.131 110.687 108.800 -0.407 0.000 2.341 196 G HA2 0.510 4.450 3.960 -0.034 0.000 0.300 196 G HA3 0.510 4.450 3.960 -0.034 0.000 0.300 196 G C -0.389 174.328 174.900 -0.304 0.000 1.706 196 G CA 0.024 44.862 45.100 -0.437 0.000 0.916 196 G HN 1.040 nan 8.290 nan 0.000 0.716 197 G N 0.382 109.070 108.800 -0.186 0.000 3.329 197 G HA2 0.453 4.393 3.960 -0.034 0.000 0.180 197 G HA3 0.453 4.393 3.960 -0.034 0.000 0.180 197 G C 0.161 175.202 174.900 0.236 0.000 1.640 197 G CA -0.535 44.582 45.100 0.028 0.000 1.018 197 G HN 0.691 nan 8.290 nan 0.000 0.581 198 N N 0.731 119.574 118.700 0.239 0.000 2.412 198 N HA 0.288 5.008 4.740 -0.034 0.000 0.254 198 N C 1.249 176.763 175.510 0.006 0.000 1.232 198 N CA 1.325 54.427 53.050 0.086 0.000 0.880 198 N CB 0.913 39.415 38.487 0.026 0.000 1.076 198 N HN 1.034 nan 8.380 nan 0.000 0.458 199 G N 1.252 110.045 108.800 -0.010 0.000 2.234 199 G HA2 -0.286 3.654 3.960 -0.034 0.000 0.260 199 G HA3 -0.286 3.654 3.960 -0.034 0.000 0.260 199 G C 0.822 175.706 174.900 -0.027 0.000 0.987 199 G CA 0.513 45.617 45.100 0.007 0.000 0.625 199 G HN 0.564 nan 8.290 nan 0.000 0.532 200 I N -0.649 119.856 120.570 -0.108 0.000 3.565 200 I HA 0.218 4.368 4.170 -0.034 0.000 0.287 200 I C 1.097 177.158 176.117 -0.093 0.000 1.193 200 I CA 0.308 61.457 61.300 -0.252 0.000 1.402 200 I CB 0.217 37.930 38.000 -0.477 0.000 1.284 200 I HN 0.039 nan 8.210 nan 0.000 0.454 201 N N 0.926 119.631 118.700 0.008 0.000 2.480 201 N HA 0.080 4.799 4.740 -0.034 0.000 0.281 201 N C -0.033 175.567 175.510 0.151 0.000 1.381 201 N CA 0.079 53.163 53.050 0.056 0.000 0.903 201 N CB 0.566 39.055 38.487 0.003 0.000 1.274 201 N HN 0.124 nan 8.380 nan 0.000 0.505 202 D N 0.260 120.680 120.400 0.033 0.000 2.182 202 D HA -0.077 4.543 4.640 -0.034 0.000 0.201 202 D C 1.455 177.706 176.300 -0.081 0.000 0.986 202 D CA 1.107 55.048 54.000 -0.099 0.000 0.847 202 D CB 0.161 40.896 40.800 -0.109 0.000 0.942 202 D HN 0.096 nan 8.370 nan 0.000 0.467 203 S N 0.334 115.998 115.700 -0.060 0.000 2.440 203 S HA -0.079 4.371 4.470 -0.034 0.000 0.238 203 S C 1.989 176.575 174.600 -0.024 0.000 1.010 203 S CA 0.273 58.426 58.200 -0.078 0.000 0.972 203 S CB -0.074 63.031 63.200 -0.158 0.000 0.774 203 S HN 0.321 nan 8.310 nan 0.000 0.501 204 L N 0.771 122.016 121.223 0.036 0.000 2.291 204 L HA -0.007 4.313 4.340 -0.034 0.000 0.214 204 L C 2.056 178.996 176.870 0.116 0.000 1.120 204 L CA 0.940 55.843 54.840 0.104 0.000 0.799 204 L CB -0.238 41.934 42.059 0.187 0.000 0.925 204 L HN 0.262 nan 8.230 nan 0.000 0.446 205 K N -0.265 120.154 120.400 0.031 0.000 2.360 205 K HA -0.163 4.137 4.320 -0.034 0.000 0.201 205 K C 1.666 178.257 176.600 -0.016 0.000 1.046 205 K CA 0.741 56.998 56.287 -0.051 0.000 0.940 205 K CB 0.078 32.428 32.500 -0.251 0.000 0.748 205 K HN 0.229 nan 8.250 nan 0.000 0.465 206 E N 0.402 120.603 120.200 0.002 0.000 2.347 206 E HA -0.070 4.260 4.350 -0.034 0.000 0.196 206 E C 0.501 177.119 176.600 0.029 0.000 1.008 206 E CA 0.648 57.060 56.400 0.019 0.000 0.852 206 E CB 0.128 29.853 29.700 0.042 0.000 0.783 206 E HN 0.226 nan 8.360 nan 0.000 0.505 207 I N 1.845 122.436 120.570 0.035 0.000 2.336 207 I HA 0.119 4.268 4.170 -0.034 0.000 0.292 207 I C 0.714 176.847 176.117 0.027 0.000 0.991 207 I CA -0.774 60.537 61.300 0.019 0.000 1.227 207 I CB 0.853 38.853 38.000 -0.000 0.000 1.366 207 I HN -0.044 nan 8.210 nan 0.000 0.466 208 E N 4.776 124.984 120.200 0.012 0.000 2.493 208 E HA 0.150 4.480 4.350 -0.034 0.000 0.255 208 E C 1.224 177.836 176.600 0.020 0.000 0.999 208 E CA 0.869 57.278 56.400 0.016 0.000 0.934 208 E CB 0.340 30.043 29.700 0.005 0.000 0.940 208 E HN 0.917 nan 8.360 nan 0.000 0.473 209 G N 3.285 112.111 108.800 0.043 0.000 2.220 209 G HA2 -0.403 3.537 3.960 -0.034 0.000 0.269 209 G HA3 -0.403 3.537 3.960 -0.034 0.000 0.269 209 G C 1.008 175.956 174.900 0.081 0.000 0.977 209 G CA 0.778 45.908 45.100 0.050 0.000 0.634 209 G HN 0.606 nan 8.290 nan 0.000 0.539 210 S N -0.844 114.918 115.700 0.105 0.000 2.357 210 S HA 0.072 4.522 4.470 -0.034 0.000 0.221 210 S C 1.983 176.739 174.600 0.260 0.000 1.031 210 S CA 1.685 59.987 58.200 0.172 0.000 0.982 210 S CB -0.284 63.007 63.200 0.152 0.000 0.853 210 S HN 0.869 nan 8.310 nan 0.000 0.458 211 F N 2.127 122.119 119.950 0.071 0.000 2.134 211 F HA -0.125 4.381 4.527 -0.034 0.000 0.299 211 F C 2.197 178.013 175.800 0.028 0.000 1.097 211 F CA 1.960 59.975 58.000 0.025 0.000 1.264 211 F CB -0.464 38.531 39.000 -0.008 0.000 1.001 211 F HN 0.259 nan 8.300 nan 0.000 0.479 212 Q N 0.680 120.563 119.800 0.138 0.000 2.079 212 Q HA -0.049 4.271 4.340 -0.034 0.000 0.200 212 Q C 2.496 178.487 176.000 -0.015 0.000 0.974 212 Q CA 1.604 57.432 55.803 0.041 0.000 0.840 212 Q CB -0.946 27.856 28.738 0.107 0.000 0.898 212 Q HN 0.478 nan 8.270 nan 0.000 0.430 213 A N 0.943 123.793 122.820 0.051 0.000 1.896 213 A HA -0.261 4.039 4.320 -0.034 0.000 0.220 213 A C 2.078 179.710 177.584 0.079 0.000 1.206 213 A CA 1.898 53.987 52.037 0.087 0.000 0.647 213 A CB -1.016 18.059 19.000 0.127 0.000 0.828 213 A HN 0.385 nan 8.150 nan 0.000 0.455 214 L N -0.671 120.575 121.223 0.037 0.000 2.083 214 L HA -0.183 4.136 4.340 -0.034 0.000 0.209 214 L C 2.427 179.187 176.870 -0.185 0.000 1.083 214 L CA 2.218 56.992 54.840 -0.109 0.000 0.752 214 L CB -0.560 41.305 42.059 -0.323 0.000 0.899 214 L HN 0.411 nan 8.230 nan 0.000 0.433 215 Q N -0.539 119.094 119.800 -0.279 0.000 2.167 215 Q HA -0.205 4.115 4.340 -0.034 0.000 0.202 215 Q C 2.352 178.293 176.000 -0.098 0.000 0.970 215 Q CA 1.552 57.209 55.803 -0.244 0.000 0.855 215 Q CB -0.466 28.093 28.738 -0.298 0.000 0.911 215 Q HN 0.574 nan 8.270 nan 0.000 0.438 216 R N 0.292 120.765 120.500 -0.045 0.000 2.090 216 R HA -0.033 4.287 4.340 -0.034 0.000 0.228 216 R C 2.403 178.728 176.300 0.042 0.000 1.110 216 R CA 1.331 57.436 56.100 0.009 0.000 0.973 216 R CB -0.189 30.128 30.300 0.028 0.000 0.869 216 R HN 0.128 nan 8.270 nan 0.000 0.440 217 S N -0.571 115.162 115.700 0.055 0.000 2.382 217 S HA -0.129 4.321 4.470 -0.034 0.000 0.228 217 S C 1.412 176.076 174.600 0.108 0.000 1.027 217 S CA 1.321 59.587 58.200 0.110 0.000 0.991 217 S CB -0.202 63.064 63.200 0.111 0.000 0.823 217 S HN 0.617 nan 8.310 nan 0.000 0.469 218 c N 2.068 120.684 118.600 0.028 0.000 2.625 218 c HA 0.353 4.903 4.570 -0.034 0.000 0.285 218 c C 0.822 174.920 174.090 0.012 0.000 1.279 218 c CA -0.749 55.589 56.329 0.015 0.000 1.698 218 c CB -2.024 40.440 42.510 -0.077 0.000 1.821 218 c HN 0.676 nan 8.230 nan 0.000 0.600 219 Q N 0.770 120.585 119.800 0.024 0.000 2.300 219 Q HA 0.349 4.669 4.340 -0.034 0.000 0.280 219 Q C 1.273 177.292 176.000 0.033 0.000 1.033 219 Q CA 1.326 57.140 55.803 0.018 0.000 0.903 219 Q CB 0.211 28.964 28.738 0.024 0.000 1.195 219 Q HN 0.623 nan 8.270 nan 0.000 0.386 220 G N 3.475 112.288 108.800 0.021 0.000 2.168 220 G HA2 -0.352 3.588 3.960 -0.034 0.000 0.263 220 G HA3 -0.352 3.588 3.960 -0.034 0.000 0.263 220 G C 0.024 174.945 174.900 0.035 0.000 0.977 220 G CA 0.546 45.662 45.100 0.026 0.000 0.659 220 G HN 0.664 nan 8.290 nan 0.000 0.533 221 R N 0.710 121.232 120.500 0.037 0.000 2.514 221 R HA 0.518 4.838 4.340 -0.034 0.000 0.301 221 R C 0.273 176.587 176.300 0.023 0.000 0.962 221 R CA -0.715 55.417 56.100 0.053 0.000 0.882 221 R CB 0.850 31.207 30.300 0.094 0.000 1.143 221 R HN 0.373 nan 8.270 nan 0.000 0.452 222 E N 2.040 122.262 120.200 0.037 0.000 2.418 222 E HA -0.025 4.305 4.350 -0.034 0.000 0.261 222 E C -0.520 176.074 176.600 -0.009 0.000 1.070 222 E CA 0.040 56.458 56.400 0.029 0.000 0.931 222 E CB 0.602 30.338 29.700 0.061 0.000 0.954 222 E HN 0.498 nan 8.360 nan 0.000 0.439 223 D N 0.682 121.056 120.400 -0.043 0.000 2.358 223 D HA 0.055 4.674 4.640 -0.034 0.000 0.244 223 D C 0.384 176.639 176.300 -0.075 0.000 1.163 223 D CA -0.008 53.859 54.000 -0.222 0.000 0.945 223 D CB 0.374 40.925 40.800 -0.415 0.000 1.152 223 D HN 0.456 nan 8.370 nan 0.000 0.451 224 F N -2.098 117.804 119.950 -0.081 0.000 2.748 224 F HA -0.262 4.244 4.527 -0.034 0.000 0.370 224 F C 0.781 176.623 175.800 0.070 0.000 0.620 224 F CA 0.733 58.703 58.000 -0.049 0.000 1.233 224 F CB -1.469 37.505 39.000 -0.043 0.000 1.708 224 F HN 0.157 nan 8.300 nan 0.000 0.298 225 K N 0.998 121.464 120.400 0.109 0.000 2.098 225 K HA 0.641 4.941 4.320 -0.034 0.000 0.261 225 K C 0.384 177.018 176.600 0.057 0.000 0.987 225 K CA -0.369 55.989 56.287 0.117 0.000 0.916 225 K CB 1.880 34.440 32.500 0.101 0.000 1.039 225 K HN 0.035 nan 8.250 nan 0.000 0.455 226 V N -1.272 118.664 119.914 0.038 0.000 2.953 226 V HA 0.459 4.558 4.120 -0.034 0.000 0.304 226 V C 0.253 176.285 176.094 -0.103 0.000 1.073 226 V CA -0.308 61.952 62.300 -0.067 0.000 1.064 226 V CB 1.470 33.159 31.823 -0.223 0.000 1.047 226 V HN 0.802 nan 8.190 nan 0.000 0.478 227 S N 1.408 116.977 115.700 -0.218 0.000 2.973 227 S HA 0.714 5.164 4.470 -0.034 0.000 0.317 227 S C -1.067 173.326 174.600 -0.345 0.000 1.196 227 S CA -0.868 57.050 58.200 -0.469 0.000 0.894 227 S CB 1.359 64.412 63.200 -0.245 0.000 1.292 227 S HN 0.755 nan 8.310 nan 0.000 0.614 228 I N 1.631 122.013 120.570 -0.315 0.000 2.433 228 I HA 0.377 4.527 4.170 -0.034 0.000 0.292 228 I C 1.027 177.231 176.117 0.145 0.000 1.001 228 I CA -0.429 60.880 61.300 0.016 0.000 1.119 228 I CB 1.856 39.877 38.000 0.035 0.000 1.289 228 I HN 0.873 nan 8.210 nan 0.000 0.438 229 H N 3.633 122.774 119.070 0.119 0.000 2.333 229 H HA -0.047 4.489 4.556 -0.034 0.000 0.302 229 H C 0.207 175.623 175.328 0.147 0.000 1.075 229 H CA 0.800 56.921 56.048 0.122 0.000 1.348 229 H CB 0.617 30.486 29.762 0.179 0.000 1.393 229 H HN 0.514 nan 8.280 nan 0.000 0.509 230 D N -0.644 119.922 120.400 0.277 0.000 2.438 230 D HA 0.137 4.756 4.640 -0.034 0.000 0.257 230 D C -2.104 174.316 176.300 0.201 0.000 1.148 230 D CA -2.416 51.715 54.000 0.219 0.000 0.902 230 D CB 1.378 42.316 40.800 0.229 0.000 1.062 230 D HN 0.125 nan 8.370 nan 0.000 0.518 231 P HA -0.044 nan 4.420 nan 0.000 0.221 231 P C 1.260 178.650 177.300 0.149 0.000 1.150 231 P CA 0.381 63.566 63.100 0.142 0.000 0.800 231 P CB 0.108 31.928 31.700 0.200 0.000 0.787 232 F N 1.247 121.259 119.950 0.103 0.000 2.060 232 F HA -0.121 4.386 4.527 -0.034 0.000 0.295 232 F C 2.257 178.111 175.800 0.090 0.000 1.120 232 F CA 1.678 59.743 58.000 0.109 0.000 1.205 232 F CB -1.021 38.068 39.000 0.147 0.000 0.986 232 F HN -0.128 nan 8.300 nan 0.000 0.470 233 A N 0.348 123.205 122.820 0.061 0.000 1.908 233 A HA -0.084 4.215 4.320 -0.034 0.000 0.218 233 A C 2.359 179.874 177.584 -0.114 0.000 1.181 233 A CA 2.010 53.981 52.037 -0.110 0.000 0.627 233 A CB -1.602 17.403 19.000 0.009 0.000 0.818 233 A HN 0.537 nan 8.150 nan 0.000 0.445 234 A N -1.606 121.166 122.820 -0.080 0.000 1.968 234 A HA 0.275 4.575 4.320 -0.034 0.000 0.217 234 A C 1.910 179.264 177.584 -0.383 0.000 1.169 234 A CA 1.487 53.369 52.037 -0.258 0.000 0.638 234 A CB -0.186 18.484 19.000 -0.549 0.000 0.812 234 A HN 0.467 nan 8.150 nan 0.000 0.446 235 L N -2.669 118.396 121.223 -0.263 0.000 3.154 235 L HA 0.124 4.444 4.340 -0.034 0.000 0.280 235 L C 1.737 178.554 176.870 -0.088 0.000 1.134 235 L CA 0.164 54.909 54.840 -0.158 0.000 1.037 235 L CB 0.393 42.400 42.059 -0.087 0.000 1.571 235 L HN 0.199 nan 8.230 nan 0.000 0.576 236 Q N -0.199 119.494 119.800 -0.178 0.000 2.322 236 Q HA 0.141 4.460 4.340 -0.034 0.000 0.250 236 Q C 0.455 176.237 176.000 -0.363 0.000 0.853 236 Q CA 0.014 55.731 55.803 -0.143 0.000 0.951 236 Q CB 1.108 29.889 28.738 0.071 0.000 1.114 236 Q HN 0.177 nan 8.270 nan 0.000 0.523 237 K N 1.763 121.659 120.400 -0.840 0.000 2.451 237 K HA 0.239 4.539 4.320 -0.034 0.000 0.280 237 K C -0.342 176.102 176.600 -0.260 0.000 1.020 237 K CA -0.049 55.786 56.287 -0.753 0.000 1.008 237 K CB 0.594 32.581 32.500 -0.855 0.000 0.917 237 K HN 0.034 nan 8.250 nan 0.000 0.478 238 A N 4.565 127.329 122.820 -0.093 0.000 2.546 238 A HA 0.055 4.354 4.320 -0.034 0.000 0.243 238 A C -0.497 177.053 177.584 -0.057 0.000 1.063 238 A CA 0.233 52.248 52.037 -0.037 0.000 0.757 238 A CB 0.312 19.326 19.000 0.023 0.000 0.991 238 A HN 0.708 nan 8.150 nan 0.000 0.503 239 Q N 0.657 120.420 119.800 -0.062 0.000 2.511 239 Q HA 0.288 4.608 4.340 -0.034 0.000 0.289 239 Q C -0.810 175.149 176.000 -0.067 0.000 1.021 239 Q CA -0.904 54.857 55.803 -0.071 0.000 0.785 239 Q CB 1.598 30.280 28.738 -0.094 0.000 1.472 239 Q HN 0.837 nan 8.270 nan 0.000 0.411 240 K N 0.018 120.375 120.400 -0.072 0.000 2.491 240 K HA 0.121 4.420 4.320 -0.034 0.000 0.279 240 K C 0.872 177.423 176.600 -0.081 0.000 1.026 240 K CA 1.686 57.931 56.287 -0.070 0.000 1.070 240 K CB -0.229 32.225 32.500 -0.076 0.000 0.887 240 K HN 0.808 nan 8.250 nan 0.000 0.481 241 G N 1.996 110.753 108.800 -0.072 0.000 2.225 241 G HA2 -0.284 3.655 3.960 -0.034 0.000 0.254 241 G HA3 -0.284 3.655 3.960 -0.034 0.000 0.254 241 G C 0.058 174.910 174.900 -0.080 0.000 0.988 241 G CA 0.287 45.338 45.100 -0.081 0.000 0.625 241 G HN 0.988 nan 8.290 nan 0.000 0.527 242 V N -1.373 118.499 119.914 -0.071 0.000 2.468 242 V HA 0.729 4.829 4.120 -0.034 0.000 0.256 242 V C 0.852 176.919 176.094 -0.045 0.000 0.998 242 V CA 0.837 63.100 62.300 -0.060 0.000 1.114 242 V CB -0.155 31.634 31.823 -0.057 0.000 1.378 242 V HN 0.855 nan 8.190 nan 0.000 0.573 243 T N -1.847 112.685 114.554 -0.036 0.000 2.990 243 T HA 0.488 4.818 4.350 -0.034 0.000 0.250 243 T C 1.009 175.715 174.700 0.010 0.000 1.041 243 T CA 0.676 62.771 62.100 -0.009 0.000 1.010 243 T CB 0.496 69.362 68.868 -0.003 0.000 1.003 243 T HN 1.174 nan 8.240 nan 0.000 0.499 244 A N 2.617 125.424 122.820 -0.023 0.000 2.483 244 A HA 0.391 4.691 4.320 -0.034 0.000 0.238 244 A C 1.371 178.939 177.584 -0.025 0.000 1.070 244 A CA -0.226 51.793 52.037 -0.030 0.000 0.770 244 A CB -0.168 18.761 19.000 -0.118 0.000 1.008 244 A HN 0.661 nan 8.150 nan 0.000 0.497 245 W N 2.039 123.324 121.300 -0.024 0.000 2.363 245 W HA -0.154 4.486 4.660 -0.034 0.000 0.296 245 W C -0.051 176.447 176.519 -0.036 0.000 1.212 245 W CA 1.517 58.850 57.345 -0.020 0.000 1.260 245 W CB -0.670 28.780 29.460 -0.016 0.000 1.131 245 W HN 0.733 nan 8.180 nan 0.000 0.530 246 D N 0.166 119.912 120.400 -1.091 0.000 2.358 246 D HA 0.007 4.627 4.640 -0.034 0.000 0.224 246 D C -0.500 175.456 176.300 -0.572 0.000 1.123 246 D CA -0.177 53.151 54.000 -1.119 0.000 0.833 246 D CB -0.840 38.921 40.800 -1.732 0.000 0.946 246 D HN -0.173 nan 8.370 nan 0.000 0.505 247 D N 2.225 122.409 120.400 -0.359 0.000 2.371 247 D HA 0.055 4.675 4.640 -0.034 0.000 0.256 247 D C -1.158 174.985 176.300 -0.261 0.000 1.193 247 D CA -1.525 52.330 54.000 -0.243 0.000 0.881 247 D CB 1.731 42.452 40.800 -0.132 0.000 1.143 247 D HN 0.063 nan 8.370 nan 0.000 0.473 248 P HA -0.110 nan 4.420 nan 0.000 0.217 248 P C -0.260 176.778 177.300 -0.437 0.000 1.151 248 P CA 0.996 63.767 63.100 -0.547 0.000 0.828 248 P CB 0.160 31.282 31.700 -0.963 0.000 0.788 249 Y N 0.126 120.471 120.300 0.074 0.000 2.356 249 Y HA 0.424 4.954 4.550 -0.034 0.000 0.334 249 Y C 1.149 177.063 175.900 0.023 0.000 0.958 249 Y CA -0.935 57.224 58.100 0.098 0.000 1.196 249 Y CB 0.991 39.559 38.460 0.181 0.000 1.137 249 Y HN -0.202 nan 8.280 nan 0.000 0.485 250 K N 1.092 121.545 120.400 0.087 0.000 2.096 250 K HA 0.768 5.068 4.320 -0.034 0.000 0.263 250 K C 0.678 177.244 176.600 -0.058 0.000 1.013 250 K CA -0.578 55.703 56.287 -0.010 0.000 1.218 250 K CB 0.355 32.828 32.500 -0.045 0.000 1.961 250 K HN 0.726 nan 8.250 nan 0.000 0.851 251 G N 1.099 109.823 108.800 -0.125 0.000 2.598 251 G HA2 -0.312 3.628 3.960 -0.034 0.000 0.269 251 G HA3 -0.312 3.628 3.960 -0.034 0.000 0.269 251 G C 0.339 175.181 174.900 -0.097 0.000 1.289 251 G CA 0.507 45.513 45.100 -0.158 0.000 0.926 251 G HN 0.583 nan 8.290 nan 0.000 0.567 252 N N -0.639 118.043 118.700 -0.030 0.000 2.188 252 N HA -0.008 4.712 4.740 -0.034 0.000 0.184 252 N C 2.101 177.567 175.510 -0.074 0.000 1.018 252 N CA 1.729 54.794 53.050 0.025 0.000 0.858 252 N CB -0.350 38.339 38.487 0.337 0.000 0.989 252 N HN 0.392 nan 8.380 nan 0.000 0.426 253 F N 1.120 120.833 119.950 -0.395 0.000 2.186 253 F HA 0.087 4.594 4.527 -0.034 0.000 0.299 253 F C 2.514 177.907 175.800 -0.679 0.000 1.090 253 F CA 0.632 58.230 58.000 -0.669 0.000 1.307 253 F CB -1.172 37.496 39.000 -0.554 0.000 1.019 253 F HN 0.046 nan 8.300 nan 0.000 0.489 254 G N -0.828 107.895 108.800 -0.128 0.000 2.418 254 G HA2 -0.222 3.718 3.960 -0.034 0.000 0.217 254 G HA3 -0.222 3.718 3.960 -0.034 0.000 0.217 254 G C 1.576 176.339 174.900 -0.230 0.000 1.158 254 G CA 0.473 45.520 45.100 -0.088 0.000 0.771 254 G HN 0.331 nan 8.290 nan 0.000 0.545 255 Q N -0.292 119.362 119.800 -0.243 0.000 2.119 255 Q HA 0.060 4.380 4.340 -0.034 0.000 0.201 255 Q C 2.694 178.477 176.000 -0.363 0.000 0.972 255 Q CA 0.711 56.356 55.803 -0.263 0.000 0.847 255 Q CB -0.225 28.372 28.738 -0.234 0.000 0.903 255 Q HN 0.445 nan 8.270 nan 0.000 0.433 256 L N -0.015 120.890 121.223 -0.530 0.000 2.083 256 L HA -0.212 4.108 4.340 -0.034 0.000 0.209 256 L C 2.460 178.927 176.870 -0.671 0.000 1.083 256 L CA 1.050 55.502 54.840 -0.648 0.000 0.752 256 L CB -0.355 41.163 42.059 -0.902 0.000 0.899 256 L HN 0.316 nan 8.230 nan 0.000 0.433 257 M N -0.624 118.482 119.600 -0.823 0.000 2.108 257 M HA -0.211 4.249 4.480 -0.034 0.000 0.261 257 M C 2.462 178.596 176.300 -0.278 0.000 1.066 257 M CA 2.037 57.043 55.300 -0.491 0.000 1.107 257 M CB -0.525 31.878 32.600 -0.328 0.000 1.356 257 M HN 0.313 nan 8.290 nan 0.000 0.406 258 A N -0.175 122.481 122.820 -0.273 0.000 2.014 258 A HA -0.083 4.217 4.320 -0.034 0.000 0.218 258 A C 2.058 179.537 177.584 -0.175 0.000 1.163 258 A CA 0.987 52.897 52.037 -0.213 0.000 0.652 258 A CB -0.611 18.267 19.000 -0.202 0.000 0.808 258 A HN 0.409 nan 8.150 nan 0.000 0.449 259 L N -0.469 120.648 121.223 -0.177 0.000 2.093 259 L HA -0.092 4.228 4.340 -0.034 0.000 0.208 259 L C 2.094 178.941 176.870 -0.039 0.000 1.085 259 L CA 1.784 56.573 54.840 -0.085 0.000 0.755 259 L CB -0.322 41.672 42.059 -0.107 0.000 0.904 259 L HN 0.113 nan 8.230 nan 0.000 0.435 260 K N -0.511 119.837 120.400 -0.086 0.000 2.147 260 K HA -0.124 4.176 4.320 -0.034 0.000 0.205 260 K C 2.047 178.608 176.600 -0.065 0.000 1.049 260 K CA 0.961 57.221 56.287 -0.045 0.000 0.936 260 K CB -0.250 32.230 32.500 -0.034 0.000 0.722 260 K HN 0.462 nan 8.250 nan 0.000 0.446 261 Q N -0.187 119.551 119.800 -0.103 0.000 2.119 261 Q HA -0.009 4.311 4.340 -0.034 0.000 0.201 261 Q C 2.044 177.953 176.000 -0.152 0.000 0.972 261 Q CA 1.281 57.016 55.803 -0.114 0.000 0.847 261 Q CB -0.217 28.444 28.738 -0.129 0.000 0.903 261 Q HN 0.273 nan 8.270 nan 0.000 0.433 262 A N 0.643 123.338 122.820 -0.208 0.000 1.929 262 A HA -0.090 4.210 4.320 -0.034 0.000 0.216 262 A C 0.652 177.877 177.584 -0.598 0.000 1.176 262 A CA 0.832 52.632 52.037 -0.395 0.000 0.628 262 A CB -0.096 18.638 19.000 -0.443 0.000 0.816 262 A HN 0.279 nan 8.150 nan 0.000 0.444 263 H N -1.177 117.854 119.070 -0.064 0.000 2.541 263 H HA 0.227 4.762 4.556 -0.034 0.000 0.246 263 H C -2.239 173.057 175.328 -0.053 0.000 1.341 263 H CA -1.669 54.347 56.048 -0.052 0.000 1.469 263 H CB 0.781 30.512 29.762 -0.051 0.000 1.472 263 H HN 0.267 nan 8.280 nan 0.000 0.503 264 P HA -0.084 nan 4.420 nan 0.000 0.222 264 P C 0.767 178.065 177.300 -0.003 0.000 1.147 264 P CA 1.027 64.122 63.100 -0.007 0.000 0.790 264 P CB 0.617 32.303 31.700 -0.025 0.000 0.780 265 D N -1.326 119.082 120.400 0.013 0.000 2.369 265 D HA 0.068 4.688 4.640 -0.034 0.000 0.211 265 D C 0.720 177.003 176.300 -0.029 0.000 1.077 265 D CA -0.226 53.770 54.000 -0.008 0.000 0.842 265 D CB -0.097 40.706 40.800 0.005 0.000 0.947 265 D HN 0.106 nan 8.370 nan 0.000 0.509 266 L N 1.822 123.042 121.223 -0.006 0.000 2.490 266 L HA 0.042 4.362 4.340 -0.034 0.000 0.274 266 L C -0.010 176.803 176.870 -0.095 0.000 1.201 266 L CA 0.182 54.986 54.840 -0.060 0.000 0.869 266 L CB 0.391 42.428 42.059 -0.037 0.000 1.123 266 L HN -0.341 nan 8.230 nan 0.000 0.484 267 K N 7.221 127.501 120.400 -0.200 0.000 2.248 267 K HA 0.422 4.721 4.320 -0.034 0.000 0.281 267 K C -0.701 175.875 176.600 -0.039 0.000 1.054 267 K CA -0.013 56.171 56.287 -0.171 0.000 0.903 267 K CB 0.907 33.159 32.500 -0.413 0.000 1.077 267 K HN 0.592 nan 8.250 nan 0.000 0.474 268 I N 5.183 125.791 120.570 0.063 0.000 2.354 268 I HA 0.281 4.431 4.170 -0.034 0.000 0.286 268 I C -0.264 176.050 176.117 0.328 0.000 1.007 268 I CA -0.658 60.737 61.300 0.159 0.000 1.167 268 I CB 0.769 38.847 38.000 0.130 0.000 1.320 268 I HN 0.234 nan 8.210 nan 0.000 0.458 269 L N 8.401 129.803 121.223 0.298 0.000 2.329 269 L HA 0.541 4.861 4.340 -0.034 0.000 0.279 269 L C -2.355 174.607 176.870 0.154 0.000 1.014 269 L CA -2.006 52.986 54.840 0.253 0.000 0.814 269 L CB 1.950 44.144 42.059 0.224 0.000 1.257 269 L HN 0.293 nan 8.230 nan 0.000 0.424 270 P HA 0.121 nan 4.420 nan 0.000 0.282 270 P C -0.862 176.461 177.300 0.038 0.000 1.262 270 P CA -0.277 62.610 63.100 -0.355 0.000 0.773 270 P CB 1.251 32.375 31.700 -0.961 0.000 0.879 271 S N 3.721 119.571 115.700 0.250 0.000 2.429 271 S HA 0.461 4.911 4.470 -0.034 0.000 0.302 271 S C 0.347 175.263 174.600 0.527 0.000 1.115 271 S CA -0.564 57.897 58.200 0.435 0.000 1.095 271 S CB 0.131 63.715 63.200 0.639 0.000 0.987 271 S HN 0.315 nan 8.310 nan 0.000 0.474 272 I N 3.515 124.346 120.570 0.434 0.000 2.321 272 I HA 0.611 4.761 4.170 -0.034 0.000 0.291 272 I C 0.975 177.337 176.117 0.408 0.000 0.998 272 I CA 0.077 61.602 61.300 0.374 0.000 1.227 272 I CB 0.865 39.086 38.000 0.367 0.000 1.368 272 I HN 0.901 nan 8.210 nan 0.000 0.466 273 G N 4.231 113.143 108.800 0.186 0.000 2.637 273 G HA2 0.306 4.245 3.960 -0.034 0.000 0.211 273 G HA3 0.306 4.245 3.960 -0.034 0.000 0.211 273 G C 0.071 174.592 174.900 -0.632 0.000 1.213 273 G CA 0.015 45.119 45.100 0.007 0.000 1.207 273 G HN 1.467 nan 8.290 nan 0.000 0.559 274 G N -1.845 106.571 108.800 -0.639 0.000 2.728 274 G HA2 -0.002 3.938 3.960 -0.034 0.000 0.294 274 G HA3 -0.002 3.938 3.960 -0.034 0.000 0.294 274 G C 0.835 175.524 174.900 -0.352 0.000 1.342 274 G CA 0.593 45.130 45.100 -0.938 0.000 0.866 274 G HN 1.935 nan 8.290 nan 0.000 0.534 275 W N 0.217 121.285 121.300 -0.387 0.000 2.358 275 W HA -0.141 4.499 4.660 -0.033 0.000 0.303 275 W C 2.381 178.793 176.519 -0.180 0.000 1.208 275 W CA 3.146 60.338 57.345 -0.256 0.000 1.274 275 W CB -0.345 28.998 29.460 -0.195 0.000 1.138 275 W HN 0.976 nan 8.180 nan 0.000 0.515 276 T N -1.911 112.598 114.554 -0.076 0.000 3.060 276 T HA 0.142 4.472 4.350 -0.034 0.000 0.249 276 T C 1.352 175.972 174.700 -0.133 0.000 1.079 276 T CA 0.157 62.192 62.100 -0.108 0.000 1.013 276 T CB -0.359 68.523 68.868 0.023 0.000 0.975 276 T HN 0.119 nan 8.240 nan 0.000 0.518 277 L N 0.646 121.763 121.223 -0.177 0.000 3.122 277 L HA 0.418 4.738 4.340 -0.034 0.000 0.274 277 L C 1.677 178.418 176.870 -0.215 0.000 1.222 277 L CA -0.155 54.572 54.840 -0.188 0.000 1.028 277 L CB 0.476 42.432 42.059 -0.172 0.000 1.386 277 L HN 0.139 nan 8.230 nan 0.000 0.578 278 S N -0.424 115.188 115.700 -0.147 0.000 2.528 278 S HA -0.056 4.394 4.470 -0.034 0.000 0.219 278 S C 1.191 175.776 174.600 -0.026 0.000 0.985 278 S CA 0.235 58.419 58.200 -0.028 0.000 0.914 278 S CB 0.051 63.312 63.200 0.102 0.000 0.776 278 S HN 0.403 nan 8.310 nan 0.000 0.526 279 D N 2.303 122.725 120.400 0.036 0.000 2.133 279 D HA -0.087 4.533 4.640 -0.034 0.000 0.195 279 D C -0.873 175.586 176.300 0.265 0.000 0.997 279 D CA 1.243 55.399 54.000 0.260 0.000 0.840 279 D CB -1.758 39.141 40.800 0.165 0.000 0.947 279 D HN 0.327 nan 8.370 nan 0.000 0.452 280 P HA -0.104 nan 4.420 nan 0.000 0.218 280 P C 1.287 178.536 177.300 -0.085 0.000 1.148 280 P CA 0.762 63.876 63.100 0.023 0.000 0.822 280 P CB -0.164 31.304 31.700 -0.386 0.000 0.784 281 F N -1.635 117.988 119.950 -0.544 0.000 2.154 281 F HA -0.149 4.357 4.527 -0.034 0.000 0.301 281 F C 1.906 177.054 175.800 -1.085 0.000 1.087 281 F CA 1.170 58.448 58.000 -1.204 0.000 1.274 281 F CB -1.763 35.755 39.000 -2.470 0.000 1.009 281 F HN -0.131 nan 8.300 nan 0.000 0.485 282 F N -1.619 118.126 119.950 -0.341 0.000 2.449 282 F HA -0.162 4.344 4.527 -0.034 0.000 0.299 282 F C 1.661 177.194 175.800 -0.444 0.000 1.092 282 F CA 0.867 58.728 58.000 -0.231 0.000 1.446 282 F CB -1.141 37.714 39.000 -0.243 0.000 1.084 282 F HN -0.084 nan 8.300 nan 0.000 0.567 283 F N -1.608 118.348 119.950 0.009 0.000 2.727 283 F HA 0.146 4.653 4.527 -0.034 0.000 0.302 283 F C 1.792 177.454 175.800 -0.230 0.000 1.097 283 F CA 0.201 58.145 58.000 -0.094 0.000 1.330 283 F CB -0.580 38.335 39.000 -0.141 0.000 1.084 283 F HN -0.101 nan 8.300 nan 0.000 0.578 284 M N -0.184 119.352 119.600 -0.106 0.000 2.628 284 M HA 0.104 4.563 4.480 -0.034 0.000 0.232 284 M C 2.212 178.484 176.300 -0.048 0.000 1.128 284 M CA 0.425 55.645 55.300 -0.133 0.000 1.040 284 M CB -0.478 32.026 32.600 -0.160 0.000 1.608 284 M HN 0.252 nan 8.290 nan 0.000 0.507 285 G N 0.218 109.009 108.800 -0.014 0.000 2.448 285 G HA2 -0.180 3.760 3.960 -0.034 0.000 0.219 285 G HA3 -0.180 3.760 3.960 -0.034 0.000 0.219 285 G C 0.434 175.327 174.900 -0.012 0.000 1.127 285 G CA 0.280 45.387 45.100 0.011 0.000 0.766 285 G HN 0.365 nan 8.290 nan 0.000 0.552 286 D N 0.278 120.654 120.400 -0.040 0.000 2.348 286 D HA 0.072 4.692 4.640 -0.034 0.000 0.259 286 D C 1.498 177.763 176.300 -0.060 0.000 1.296 286 D CA -0.114 53.854 54.000 -0.053 0.000 0.931 286 D CB 0.748 41.498 40.800 -0.084 0.000 1.067 286 D HN 0.219 nan 8.370 nan 0.000 0.503 287 K N 2.669 123.053 120.400 -0.026 0.000 2.211 287 K HA -0.124 4.176 4.320 -0.034 0.000 0.204 287 K C 1.634 178.224 176.600 -0.017 0.000 1.047 287 K CA 0.810 57.089 56.287 -0.012 0.000 0.935 287 K CB 0.177 32.679 32.500 0.002 0.000 0.728 287 K HN 0.321 nan 8.250 nan 0.000 0.452 288 V N 1.557 121.454 119.914 -0.028 0.000 2.282 288 V HA -0.318 3.782 4.120 -0.034 0.000 0.249 288 V C 2.119 178.189 176.094 -0.040 0.000 1.057 288 V CA 2.102 64.388 62.300 -0.025 0.000 1.032 288 V CB -0.386 31.421 31.823 -0.026 0.000 0.645 288 V HN 0.387 nan 8.190 nan 0.000 0.447 289 K N -0.534 119.793 120.400 -0.123 0.000 2.103 289 K HA -0.142 4.158 4.320 -0.034 0.000 0.204 289 K C 2.405 178.972 176.600 -0.055 0.000 1.052 289 K CA 1.221 57.380 56.287 -0.212 0.000 0.945 289 K CB -0.220 31.886 32.500 -0.656 0.000 0.722 289 K HN 0.295 nan 8.250 nan 0.000 0.443 290 R N 1.203 121.682 120.500 -0.034 0.000 2.081 290 R HA -0.145 4.174 4.340 -0.034 0.000 0.235 290 R C 1.395 177.780 176.300 0.141 0.000 1.131 290 R CA 1.804 57.948 56.100 0.073 0.000 0.960 290 R CB 0.017 30.343 30.300 0.042 0.000 0.856 290 R HN 0.119 nan 8.270 nan 0.000 0.436 291 D N -0.250 120.194 120.400 0.073 0.000 2.144 291 D HA -0.154 4.466 4.640 -0.034 0.000 0.200 291 D C 1.841 178.185 176.300 0.073 0.000 0.978 291 D CA 0.852 54.890 54.000 0.063 0.000 0.833 291 D CB -0.186 40.635 40.800 0.035 0.000 0.961 291 D HN 0.236 nan 8.370 nan 0.000 0.470 292 R N -0.323 120.231 120.500 0.090 0.000 2.081 292 R HA -0.161 4.159 4.340 -0.034 0.000 0.235 292 R C 2.247 178.635 176.300 0.146 0.000 1.131 292 R CA 0.917 57.082 56.100 0.108 0.000 0.960 292 R CB -0.425 29.953 30.300 0.130 0.000 0.856 292 R HN 0.139 nan 8.270 nan 0.000 0.436 293 F N 0.862 120.842 119.950 0.050 0.000 2.075 293 F HA -0.200 4.307 4.527 -0.034 0.000 0.297 293 F C 1.934 177.753 175.800 0.031 0.000 1.113 293 F CA 1.565 59.591 58.000 0.044 0.000 1.218 293 F CB -0.616 38.411 39.000 0.045 0.000 0.984 293 F HN -0.197 nan 8.300 nan 0.000 0.472 294 V N 0.739 120.593 119.914 -0.100 0.000 2.287 294 V HA -0.280 3.820 4.120 -0.034 0.000 0.248 294 V C 2.793 178.783 176.094 -0.173 0.000 1.053 294 V CA 2.084 64.260 62.300 -0.206 0.000 1.027 294 V CB -1.779 30.029 31.823 -0.026 0.000 0.646 294 V HN 0.572 nan 8.190 nan 0.000 0.447 295 G N -0.088 108.668 108.800 -0.073 0.000 2.432 295 G HA2 -0.272 3.668 3.960 -0.034 0.000 0.219 295 G HA3 -0.272 3.668 3.960 -0.034 0.000 0.219 295 G C 1.843 176.714 174.900 -0.048 0.000 1.135 295 G CA 1.340 46.412 45.100 -0.047 0.000 0.767 295 G HN 0.659 nan 8.290 nan 0.000 0.550 296 S N 0.017 115.680 115.700 -0.063 0.000 2.428 296 S HA -0.025 4.425 4.470 -0.034 0.000 0.230 296 S C 2.234 176.803 174.600 -0.050 0.000 1.014 296 S CA 1.205 59.395 58.200 -0.017 0.000 0.957 296 S CB -0.169 63.041 63.200 0.018 0.000 0.784 296 S HN 0.089 nan 8.310 nan 0.000 0.499 297 V N 2.103 121.874 119.914 -0.239 0.000 2.453 297 V HA -0.082 4.018 4.120 -0.034 0.000 0.247 297 V C 2.760 178.830 176.094 -0.040 0.000 1.048 297 V CA 1.967 64.140 62.300 -0.212 0.000 1.049 297 V CB -0.708 30.866 31.823 -0.416 0.000 0.672 297 V HN 0.546 nan 8.190 nan 0.000 0.457 298 K N 0.228 120.581 120.400 -0.078 0.000 2.026 298 K HA -0.252 4.048 4.320 -0.034 0.000 0.208 298 K C 2.262 178.859 176.600 -0.006 0.000 1.048 298 K CA 1.953 58.202 56.287 -0.064 0.000 0.929 298 K CB -0.136 32.319 32.500 -0.074 0.000 0.713 298 K HN 0.575 nan 8.250 nan 0.000 0.439 299 E N -0.244 119.974 120.200 0.030 0.000 2.085 299 E HA -0.229 4.101 4.350 -0.034 0.000 0.194 299 E C 1.909 178.573 176.600 0.108 0.000 0.994 299 E CA 1.168 57.601 56.400 0.054 0.000 0.801 299 E CB -0.222 29.522 29.700 0.074 0.000 0.743 299 E HN 0.335 nan 8.360 nan 0.000 0.453 300 F N 1.238 121.224 119.950 0.060 0.000 2.095 300 F HA -0.187 4.320 4.527 -0.034 0.000 0.298 300 F C 1.995 177.896 175.800 0.168 0.000 1.104 300 F CA 1.511 59.625 58.000 0.191 0.000 1.232 300 F CB -0.086 39.018 39.000 0.173 0.000 0.987 300 F HN 0.015 nan 8.300 nan 0.000 0.475 301 L N -0.438 120.920 121.223 0.225 0.000 2.156 301 L HA -0.188 4.132 4.340 -0.034 0.000 0.208 301 L C 2.336 179.211 176.870 0.009 0.000 1.095 301 L CA 1.028 55.938 54.840 0.116 0.000 0.770 301 L CB -0.784 41.296 42.059 0.034 0.000 0.914 301 L HN 0.207 nan 8.230 nan 0.000 0.439 302 Q N -0.651 119.127 119.800 -0.037 0.000 2.167 302 Q HA -0.142 4.178 4.340 -0.034 0.000 0.202 302 Q C 2.093 177.995 176.000 -0.162 0.000 0.970 302 Q CA 1.785 57.545 55.803 -0.071 0.000 0.855 302 Q CB -0.111 28.589 28.738 -0.064 0.000 0.911 302 Q HN 0.470 nan 8.270 nan 0.000 0.438 303 T N -0.680 113.705 114.554 -0.283 0.000 2.894 303 T HA -0.074 4.256 4.350 -0.034 0.000 0.258 303 T C -0.154 174.092 174.700 -0.758 0.000 1.043 303 T CA 0.705 62.444 62.100 -0.602 0.000 1.141 303 T CB -0.026 68.348 68.868 -0.823 0.000 0.873 303 T HN 0.305 nan 8.240 nan 0.000 0.449 304 W N 2.294 123.451 121.300 -0.238 0.000 2.351 304 W HA 0.472 5.112 4.660 -0.033 0.000 0.320 304 W C 0.812 177.115 176.519 -0.360 0.000 0.947 304 W CA -0.980 56.173 57.345 -0.319 0.000 1.565 304 W CB 0.466 29.624 29.460 -0.503 0.000 1.409 304 W HN -0.022 nan 8.180 nan 0.000 0.399 305 K N 1.144 121.532 120.400 -0.021 0.000 2.432 305 K HA -0.088 4.212 4.320 -0.034 0.000 0.196 305 K C 1.575 178.162 176.600 -0.020 0.000 1.038 305 K CA 0.809 57.098 56.287 0.002 0.000 0.986 305 K CB -0.089 32.429 32.500 0.031 0.000 0.782 305 K HN 0.530 nan 8.250 nan 0.000 0.485 306 F N -0.289 119.596 119.950 -0.108 0.000 2.407 306 F HA 0.100 4.607 4.527 -0.034 0.000 0.299 306 F C 0.379 176.060 175.800 -0.198 0.000 1.097 306 F CA -0.269 57.604 58.000 -0.212 0.000 1.422 306 F CB -0.603 38.179 39.000 -0.362 0.000 1.067 306 F HN -0.291 nan 8.300 nan 0.000 0.539 307 F N 2.209 121.733 119.950 -0.709 0.000 2.429 307 F HA 0.188 4.694 4.527 -0.034 0.000 0.348 307 F C 1.080 176.855 175.800 -0.043 0.000 1.109 307 F CA -0.676 57.097 58.000 -0.379 0.000 1.232 307 F CB 0.305 39.083 39.000 -0.371 0.000 1.157 307 F HN 0.000 nan 8.300 nan 0.000 0.564 308 D N 1.738 122.287 120.400 0.248 0.000 2.463 308 D HA 0.343 4.963 4.640 -0.034 0.000 0.224 308 D C 0.894 177.382 176.300 0.313 0.000 1.174 308 D CA 0.384 54.467 54.000 0.138 0.000 0.829 308 D CB 0.560 41.383 40.800 0.038 0.000 0.993 308 D HN 0.735 nan 8.370 nan 0.000 0.497 309 G N -0.449 108.602 108.800 0.418 0.000 2.403 309 G HA2 0.207 4.147 3.960 -0.034 0.000 0.223 309 G HA3 0.207 4.147 3.960 -0.034 0.000 0.223 309 G C -1.885 173.127 174.900 0.187 0.000 1.287 309 G CA -0.135 45.183 45.100 0.363 0.000 0.982 309 G HN 0.147 nan 8.290 nan 0.000 0.471 310 V N 0.286 120.294 119.914 0.157 0.000 2.969 310 V HA 0.691 4.791 4.120 -0.034 0.000 0.304 310 V C -1.979 174.219 176.094 0.172 0.000 1.192 310 V CA -0.224 62.141 62.300 0.108 0.000 0.962 310 V CB 2.111 33.964 31.823 0.050 0.000 1.045 310 V HN 1.099 nan 8.190 nan 0.000 0.428 311 D N 5.340 125.863 120.400 0.205 0.000 2.344 311 D HA 0.493 5.113 4.640 -0.034 0.000 0.239 311 D C -0.812 175.673 176.300 0.308 0.000 1.064 311 D CA -0.388 53.785 54.000 0.288 0.000 0.829 311 D CB 1.256 42.258 40.800 0.337 0.000 1.129 311 D HN 0.392 nan 8.370 nan 0.000 0.506 312 I N 3.591 124.327 120.570 0.276 0.000 2.312 312 I HA 0.238 4.387 4.170 -0.034 0.000 0.290 312 I C -0.489 175.775 176.117 0.245 0.000 1.008 312 I CA -0.556 60.888 61.300 0.240 0.000 1.226 312 I CB 1.231 39.285 38.000 0.090 0.000 1.371 312 I HN 0.375 nan 8.210 nan 0.000 0.468 313 D N 6.566 127.135 120.400 0.282 0.000 2.551 313 D HA 0.075 4.695 4.640 -0.034 0.000 0.294 313 D C -0.456 175.953 176.300 0.182 0.000 1.201 313 D CA -0.181 53.982 54.000 0.272 0.000 0.941 313 D CB 0.409 41.425 40.800 0.360 0.000 0.995 313 D HN 0.355 nan 8.370 nan 0.000 0.502 314 W N 2.638 123.807 121.300 -0.218 0.000 2.416 314 W HA 0.288 4.928 4.660 -0.034 0.000 0.318 314 W C -0.654 175.741 176.519 -0.207 0.000 1.150 314 W CA -0.812 56.292 57.345 -0.402 0.000 1.392 314 W CB 0.247 29.216 29.460 -0.818 0.000 1.311 314 W HN 0.131 nan 8.180 nan 0.000 0.436 315 Q N 6.600 126.453 119.800 0.088 0.000 2.425 315 Q HA 0.415 4.735 4.340 -0.034 0.000 0.254 315 Q C -1.493 174.204 176.000 -0.505 0.000 1.032 315 Q CA -0.331 55.109 55.803 -0.605 0.000 0.798 315 Q CB 1.206 29.393 28.738 -0.919 0.000 1.210 315 Q HN 0.271 nan 8.270 nan 0.000 0.491 316 F N 1.031 121.099 119.950 0.197 0.000 2.619 316 F HA 0.410 4.917 4.527 -0.034 0.000 0.308 316 F C -2.405 173.105 175.800 -0.483 0.000 1.097 316 F CA -2.927 54.951 58.000 -0.202 0.000 0.953 316 F CB 1.190 40.124 39.000 -0.110 0.000 1.287 316 F HN 0.265 nan 8.300 nan 0.000 0.446 317 P HA 0.177 nan 4.420 nan 0.000 0.258 317 P C 0.708 177.863 177.300 -0.241 0.000 1.172 317 P CA 1.552 64.068 63.100 -0.974 0.000 0.762 317 P CB 0.267 31.273 31.700 -1.157 0.000 0.764 318 G N 2.247 111.076 108.800 0.048 0.000 2.213 318 G HA2 0.073 4.013 3.960 -0.034 0.000 0.226 318 G HA3 0.073 4.013 3.960 -0.034 0.000 0.226 318 G C 0.523 175.516 174.900 0.155 0.000 0.992 318 G CA 0.059 45.203 45.100 0.074 0.000 0.632 318 G HN 0.999 nan 8.290 nan 0.000 0.511 319 G N -0.110 108.885 108.800 0.326 0.000 2.587 319 G HA2 0.263 4.203 3.960 -0.034 0.000 0.212 319 G HA3 0.263 4.203 3.960 -0.034 0.000 0.212 319 G C 0.384 175.417 174.900 0.222 0.000 1.327 319 G CA 0.688 45.904 45.100 0.193 0.000 0.898 319 G HN 1.493 nan 8.290 nan 0.000 0.551 320 K N -1.685 118.786 120.400 0.119 0.000 3.391 320 K HA -0.148 4.151 4.320 -0.034 0.000 0.307 320 K C 1.173 177.948 176.600 0.292 0.000 1.304 320 K CA 1.590 57.980 56.287 0.172 0.000 0.904 320 K CB -1.681 30.913 32.500 0.157 0.000 1.293 320 K HN 1.665 nan 8.250 nan 0.000 0.470 321 G N -0.011 108.829 108.800 0.066 0.000 2.773 321 G HA2 0.552 4.492 3.960 -0.034 0.000 0.186 321 G HA3 0.552 4.492 3.960 -0.034 0.000 0.186 321 G C 1.076 175.531 174.900 -0.743 0.000 1.411 321 G CA 0.067 44.884 45.100 -0.472 0.000 1.054 321 G HN 0.164 nan 8.290 nan 0.000 0.579 322 A N -0.776 121.267 122.820 -1.296 0.000 1.969 322 A HA 0.046 4.346 4.320 -0.034 0.000 0.218 322 A C 1.395 178.778 177.584 -0.334 0.000 1.169 322 A CA 0.983 52.517 52.037 -0.838 0.000 0.635 322 A CB -0.386 17.989 19.000 -1.040 0.000 0.810 322 A HN 0.423 nan 8.150 nan 0.000 0.445 323 N N 0.134 118.640 118.700 -0.323 0.000 2.426 323 N HA 0.234 4.954 4.740 -0.034 0.000 0.257 323 N C -2.129 173.256 175.510 -0.208 0.000 1.002 323 N CA -1.917 50.999 53.050 -0.223 0.000 0.942 323 N CB 1.591 39.939 38.487 -0.231 0.000 1.112 323 N HN 0.028 nan 8.380 nan 0.000 0.499 324 P HA 0.018 nan 4.420 nan 0.000 0.226 324 P C 0.175 177.404 177.300 -0.118 0.000 1.153 324 P CA 0.801 63.843 63.100 -0.097 0.000 0.777 324 P CB 0.555 32.227 31.700 -0.047 0.000 0.794 325 N N -0.631 117.983 118.700 -0.144 0.000 2.280 325 N HA 0.133 4.853 4.740 -0.034 0.000 0.192 325 N C 0.578 175.962 175.510 -0.211 0.000 1.109 325 N CA 0.267 53.236 53.050 -0.136 0.000 0.855 325 N CB 0.525 38.958 38.487 -0.091 0.000 0.974 325 N HN 0.265 nan 8.380 nan 0.000 0.482 326 L N -0.349 120.656 121.223 -0.363 0.000 2.322 326 L HA 0.718 5.037 4.340 -0.034 0.000 0.269 326 L C 0.385 176.869 176.870 -0.644 0.000 1.012 326 L CA -0.781 53.687 54.840 -0.621 0.000 0.815 326 L CB 1.992 43.388 42.059 -1.104 0.000 1.295 326 L HN 0.043 nan 8.230 nan 0.000 0.438 327 G N 0.677 109.187 108.800 -0.484 0.000 2.801 327 G HA2 0.220 4.160 3.960 -0.034 0.000 0.648 327 G HA3 0.220 4.160 3.960 -0.034 0.000 0.648 327 G C -1.250 173.666 174.900 0.028 0.000 1.415 327 G CA -0.174 44.899 45.100 -0.046 0.000 0.887 327 G HN 0.730 nan 8.290 nan 0.000 0.627 328 S N 2.784 118.562 115.700 0.129 0.000 2.556 328 S HA 0.868 5.318 4.470 -0.034 0.000 0.271 328 S C -1.948 172.686 174.600 0.057 0.000 1.135 328 S CA -0.777 57.463 58.200 0.067 0.000 0.858 328 S CB 2.248 65.487 63.200 0.065 0.000 1.114 328 S HN 0.297 nan 8.310 nan 0.000 0.468 329 P HA -0.044 nan 4.420 nan 0.000 0.222 329 P C 1.165 178.467 177.300 0.004 0.000 1.147 329 P CA 0.847 63.949 63.100 0.002 0.000 0.790 329 P CB 0.064 31.762 31.700 -0.004 0.000 0.780 330 Q N -0.305 119.511 119.800 0.027 0.000 2.364 330 Q HA -0.154 4.166 4.340 -0.034 0.000 0.207 330 Q C 1.137 177.173 176.000 0.060 0.000 0.970 330 Q CA 0.983 56.809 55.803 0.039 0.000 0.888 330 Q CB -0.291 28.477 28.738 0.050 0.000 0.951 330 Q HN 0.169 nan 8.270 nan 0.000 0.469 331 D N -0.567 119.873 120.400 0.067 0.000 2.144 331 D HA -0.112 4.507 4.640 -0.034 0.000 0.199 331 D C 1.645 177.911 176.300 -0.056 0.000 0.984 331 D CA 1.278 55.330 54.000 0.087 0.000 0.834 331 D CB -0.461 40.354 40.800 0.025 0.000 0.955 331 D HN 0.453 nan 8.370 nan 0.000 0.465 332 G N 0.798 109.519 108.800 -0.132 0.000 2.446 332 G HA2 -0.322 3.617 3.960 -0.034 0.000 0.217 332 G HA3 -0.322 3.617 3.960 -0.034 0.000 0.217 332 G C 1.439 176.313 174.900 -0.042 0.000 1.168 332 G CA 0.941 45.937 45.100 -0.174 0.000 0.771 332 G HN 0.360 nan 8.290 nan 0.000 0.551 333 E N -0.135 120.062 120.200 -0.004 0.000 2.077 333 E HA -0.141 4.188 4.350 -0.034 0.000 0.193 333 E C 2.499 179.147 176.600 0.080 0.000 0.989 333 E CA 1.565 57.982 56.400 0.029 0.000 0.800 333 E CB -0.231 29.482 29.700 0.022 0.000 0.746 333 E HN 0.364 nan 8.360 nan 0.000 0.452 334 T N 0.144 114.774 114.554 0.127 0.000 2.708 334 T HA -0.206 4.124 4.350 -0.034 0.000 0.266 334 T C 1.462 176.310 174.700 0.246 0.000 1.037 334 T CA 1.503 63.715 62.100 0.186 0.000 1.146 334 T CB -0.597 68.435 68.868 0.273 0.000 0.865 334 T HN 0.348 nan 8.240 nan 0.000 0.435 335 Y N 1.860 122.260 120.300 0.166 0.000 2.097 335 Y HA -0.201 4.329 4.550 -0.034 0.000 0.282 335 Y C 2.333 178.252 175.900 0.032 0.000 1.152 335 Y CA 0.999 59.165 58.100 0.109 0.000 1.136 335 Y CB -0.723 37.643 38.460 -0.157 0.000 0.975 335 Y HN -0.026 nan 8.280 nan 0.000 0.498 336 V N 0.397 120.429 119.914 0.196 0.000 2.343 336 V HA -0.329 3.771 4.120 -0.034 0.000 0.247 336 V C 2.477 178.587 176.094 0.026 0.000 1.051 336 V CA 2.093 64.445 62.300 0.087 0.000 1.036 336 V CB -0.778 31.084 31.823 0.064 0.000 0.654 336 V HN 0.450 nan 8.190 nan 0.000 0.451 337 L N -0.899 120.350 121.223 0.042 0.000 2.056 337 L HA -0.171 4.148 4.340 -0.034 0.000 0.207 337 L C 2.442 179.326 176.870 0.023 0.000 1.078 337 L CA 1.141 56.000 54.840 0.032 0.000 0.749 337 L CB -0.602 41.483 42.059 0.044 0.000 0.901 337 L HN 0.342 nan 8.230 nan 0.000 0.433 338 L N -0.531 120.706 121.223 0.025 0.000 1.989 338 L HA -0.256 4.064 4.340 -0.034 0.000 0.211 338 L C 2.545 179.410 176.870 -0.008 0.000 1.071 338 L CA 1.958 56.818 54.840 0.033 0.000 0.749 338 L CB -0.465 41.613 42.059 0.032 0.000 0.890 338 L HN 0.155 nan 8.230 nan 0.000 0.431 339 M N -0.480 119.055 119.600 -0.108 0.000 2.080 339 M HA -0.242 4.218 4.480 -0.034 0.000 0.260 339 M C 2.291 178.573 176.300 -0.031 0.000 1.068 339 M CA 1.785 57.024 55.300 -0.102 0.000 1.109 339 M CB -1.192 31.317 32.600 -0.151 0.000 1.342 339 M HN 0.290 nan 8.290 nan 0.000 0.405 340 K N 0.104 120.495 120.400 -0.016 0.000 2.063 340 K HA -0.181 4.119 4.320 -0.034 0.000 0.208 340 K C 1.924 178.527 176.600 0.005 0.000 1.048 340 K CA 1.499 57.786 56.287 0.000 0.000 0.928 340 K CB -0.154 32.350 32.500 0.007 0.000 0.713 340 K HN 0.465 nan 8.250 nan 0.000 0.442 341 E N 0.725 120.932 120.200 0.011 0.000 2.152 341 E HA -0.120 4.210 4.350 -0.034 0.000 0.192 341 E C 2.035 178.639 176.600 0.007 0.000 0.983 341 E CA 0.619 57.028 56.400 0.015 0.000 0.818 341 E CB -0.009 29.709 29.700 0.030 0.000 0.758 341 E HN 0.204 nan 8.360 nan 0.000 0.467 342 L N 0.564 121.794 121.223 0.011 0.000 2.012 342 L HA -0.219 4.101 4.340 -0.034 0.000 0.210 342 L C 2.684 179.547 176.870 -0.010 0.000 1.073 342 L CA 1.285 56.124 54.840 -0.002 0.000 0.748 342 L CB -0.297 41.773 42.059 0.018 0.000 0.891 342 L HN 0.054 nan 8.230 nan 0.000 0.431 343 R N 0.461 120.960 120.500 -0.001 0.000 2.081 343 R HA -0.132 4.188 4.340 -0.034 0.000 0.235 343 R C 2.213 178.514 176.300 0.001 0.000 1.131 343 R CA 1.580 57.683 56.100 0.005 0.000 0.960 343 R CB -0.512 29.792 30.300 0.007 0.000 0.856 343 R HN 0.313 nan 8.270 nan 0.000 0.436 344 A N 0.979 123.798 122.820 -0.002 0.000 1.883 344 A HA -0.190 4.110 4.320 -0.034 0.000 0.217 344 A C 2.238 179.813 177.584 -0.015 0.000 1.186 344 A CA 1.713 53.748 52.037 -0.004 0.000 0.624 344 A CB -0.699 18.301 19.000 -0.001 0.000 0.822 344 A HN 0.510 nan 8.150 nan 0.000 0.444 345 M N -0.227 119.356 119.600 -0.028 0.000 2.108 345 M HA -0.106 4.354 4.480 -0.034 0.000 0.261 345 M C 1.925 178.177 176.300 -0.080 0.000 1.066 345 M CA 1.811 57.079 55.300 -0.053 0.000 1.107 345 M CB -0.748 31.811 32.600 -0.068 0.000 1.356 345 M HN 0.434 nan 8.290 nan 0.000 0.406 346 L N -0.221 120.957 121.223 -0.074 0.000 2.156 346 L HA -0.189 4.131 4.340 -0.034 0.000 0.208 346 L C 2.003 178.858 176.870 -0.024 0.000 1.095 346 L CA 0.797 55.572 54.840 -0.108 0.000 0.770 346 L CB -0.805 41.232 42.059 -0.037 0.000 0.914 346 L HN 0.222 nan 8.230 nan 0.000 0.439 347 D N -0.275 120.130 120.400 0.008 0.000 2.144 347 D HA -0.227 4.393 4.640 -0.034 0.000 0.199 347 D C 2.128 178.443 176.300 0.025 0.000 0.984 347 D CA 1.077 55.097 54.000 0.033 0.000 0.834 347 D CB 0.010 40.825 40.800 0.024 0.000 0.955 347 D HN 0.195 nan 8.370 nan 0.000 0.465 348 Q N 0.309 120.108 119.800 -0.002 0.000 2.079 348 Q HA -0.091 4.229 4.340 -0.034 0.000 0.200 348 Q C 1.979 177.975 176.000 -0.006 0.000 0.974 348 Q CA 0.814 56.614 55.803 -0.004 0.000 0.840 348 Q CB -0.490 28.238 28.738 -0.016 0.000 0.898 348 Q HN 0.211 nan 8.270 nan 0.000 0.430 349 L N -0.173 121.019 121.223 -0.051 0.000 2.093 349 L HA -0.061 4.258 4.340 -0.034 0.000 0.208 349 L C 2.092 179.008 176.870 0.077 0.000 1.085 349 L CA 1.791 56.585 54.840 -0.076 0.000 0.755 349 L CB -0.843 41.025 42.059 -0.317 0.000 0.904 349 L HN 0.142 nan 8.230 nan 0.000 0.435 350 S N -0.847 114.946 115.700 0.155 0.000 2.356 350 S HA -0.161 4.289 4.470 -0.034 0.000 0.223 350 S C 1.920 176.604 174.600 0.141 0.000 1.032 350 S CA 1.607 59.971 58.200 0.273 0.000 1.005 350 S CB -0.505 62.833 63.200 0.229 0.000 0.867 350 S HN 0.527 nan 8.310 nan 0.000 0.449 351 V N 0.124 120.089 119.914 0.086 0.000 2.871 351 V HA 0.040 4.140 4.120 -0.034 0.000 0.256 351 V C 1.683 177.807 176.094 0.051 0.000 1.082 351 V CA 1.211 63.545 62.300 0.057 0.000 1.105 351 V CB -0.788 31.058 31.823 0.039 0.000 0.713 351 V HN 0.346 nan 8.190 nan 0.000 0.473 352 E N 1.736 121.968 120.200 0.054 0.000 2.107 352 E HA -0.113 4.217 4.350 -0.034 0.000 0.191 352 E C 2.283 178.917 176.600 0.057 0.000 0.982 352 E CA 1.829 58.255 56.400 0.044 0.000 0.809 352 E CB -0.182 29.536 29.700 0.030 0.000 0.756 352 E HN 0.871 nan 8.360 nan 0.000 0.459 353 T N -3.811 110.797 114.554 0.091 0.000 3.014 353 T HA 0.269 4.598 4.350 -0.034 0.000 0.250 353 T C 1.608 176.348 174.700 0.066 0.000 1.060 353 T CA 0.383 62.539 62.100 0.094 0.000 1.040 353 T CB 0.745 69.711 68.868 0.163 0.000 0.971 353 T HN 0.255 nan 8.240 nan 0.000 0.497 354 G N 1.739 110.576 108.800 0.062 0.000 2.162 354 G HA2 -0.273 3.667 3.960 -0.034 0.000 0.260 354 G HA3 -0.273 3.667 3.960 -0.034 0.000 0.260 354 G C 0.155 175.065 174.900 0.017 0.000 0.976 354 G CA 0.175 45.297 45.100 0.036 0.000 0.655 354 G HN 0.699 nan 8.290 nan 0.000 0.533 355 R N 0.002 120.512 120.500 0.016 0.000 2.573 355 R HA 0.586 4.906 4.340 -0.034 0.000 0.272 355 R C 0.169 176.410 176.300 -0.099 0.000 1.009 355 R CA -0.696 55.345 56.100 -0.098 0.000 1.059 355 R CB 0.955 31.100 30.300 -0.259 0.000 1.112 355 R HN 0.120 nan 8.270 nan 0.000 0.517 356 K N 1.996 122.301 120.400 -0.159 0.000 2.201 356 K HA 0.246 4.546 4.320 -0.034 0.000 0.278 356 K C -1.101 175.367 176.600 -0.220 0.000 1.027 356 K CA -0.243 55.994 56.287 -0.084 0.000 0.909 356 K CB 1.052 33.530 32.500 -0.036 0.000 1.062 356 K HN 0.389 nan 8.250 nan 0.000 0.465 357 Y N 0.963 121.290 120.300 0.044 0.000 2.468 357 Y HA 0.224 4.753 4.550 -0.034 0.000 0.342 357 Y C 0.189 176.129 175.900 0.066 0.000 1.021 357 Y CA -0.688 57.446 58.100 0.057 0.000 1.079 357 Y CB 1.915 40.403 38.460 0.047 0.000 1.226 357 Y HN 0.482 nan 8.280 nan 0.000 0.460 358 E N 2.480 122.839 120.200 0.264 0.000 2.195 358 E HA 0.475 4.804 4.350 -0.034 0.000 0.271 358 E C -1.675 175.039 176.600 0.190 0.000 0.923 358 E CA -1.161 55.362 56.400 0.205 0.000 0.790 358 E CB 2.602 32.459 29.700 0.262 0.000 1.155 358 E HN 0.336 nan 8.360 nan 0.000 0.402 359 L N 2.327 123.624 121.223 0.122 0.000 2.325 359 L HA 0.443 4.762 4.340 -0.034 0.000 0.281 359 L C -0.584 176.336 176.870 0.083 0.000 1.004 359 L CA 0.039 54.940 54.840 0.102 0.000 0.823 359 L CB 1.475 43.569 42.059 0.058 0.000 1.236 359 L HN 0.679 nan 8.230 nan 0.000 0.415 360 T N 0.861 115.500 114.554 0.141 0.000 2.864 360 T HA 0.851 5.181 4.350 -0.034 0.000 0.289 360 T C -0.564 174.246 174.700 0.182 0.000 1.082 360 T CA -0.731 61.441 62.100 0.121 0.000 1.009 360 T CB 1.663 70.660 68.868 0.215 0.000 1.234 360 T HN 0.666 nan 8.240 nan 0.000 0.526 361 S N -0.726 115.079 115.700 0.175 0.000 2.533 361 S HA 0.686 5.136 4.470 -0.034 0.000 0.271 361 S C -1.275 173.511 174.600 0.311 0.000 1.143 361 S CA -0.487 57.876 58.200 0.271 0.000 0.891 361 S CB 1.123 64.491 63.200 0.279 0.000 1.105 361 S HN 1.345 nan 8.310 nan 0.000 0.468 362 A N 3.984 127.026 122.820 0.370 0.000 2.276 362 A HA 0.802 5.102 4.320 -0.034 0.000 0.316 362 A C -0.131 177.601 177.584 0.247 0.000 1.229 362 A CA -0.732 51.496 52.037 0.318 0.000 0.851 362 A CB -0.078 19.143 19.000 0.369 0.000 1.165 362 A HN 1.131 nan 8.150 nan 0.000 0.513 363 I N 0.016 120.686 120.570 0.167 0.000 2.785 363 I HA 0.690 4.840 4.170 -0.034 0.000 0.302 363 I C 0.096 176.271 176.117 0.097 0.000 1.069 363 I CA -0.719 60.655 61.300 0.124 0.000 1.045 363 I CB 2.079 40.057 38.000 -0.037 0.000 1.236 363 I HN 0.471 nan 8.210 nan 0.000 0.429 364 S N 2.813 118.569 115.700 0.094 0.000 2.563 364 S HA 0.361 4.811 4.470 -0.034 0.000 0.284 364 S C 0.987 175.538 174.600 -0.081 0.000 1.331 364 S CA 0.276 58.431 58.200 -0.074 0.000 1.047 364 S CB 1.023 63.924 63.200 -0.499 0.000 0.859 364 S HN 0.905 nan 8.310 nan 0.000 0.514 365 A N 3.973 126.768 122.820 -0.041 0.000 2.308 365 A HA 0.432 4.732 4.320 -0.034 0.000 0.217 365 A C 1.049 178.660 177.584 0.045 0.000 1.216 365 A CA 0.244 52.311 52.037 0.050 0.000 0.864 365 A CB -0.581 18.543 19.000 0.207 0.000 0.902 365 A HN 0.971 nan 8.150 nan 0.000 0.499 366 G N -0.393 108.358 108.800 -0.082 0.000 2.403 366 G HA2 0.325 4.265 3.960 -0.034 0.000 0.259 366 G HA3 0.325 4.265 3.960 -0.034 0.000 0.259 366 G C 0.636 175.549 174.900 0.022 0.000 1.244 366 G CA -0.163 44.896 45.100 -0.069 0.000 0.849 366 G HN 0.361 nan 8.290 nan 0.000 0.532 367 K N 1.157 121.631 120.400 0.122 0.000 2.211 367 K HA -0.126 4.173 4.320 -0.034 0.000 0.203 367 K C 1.889 178.498 176.600 0.016 0.000 1.050 367 K CA 1.667 57.979 56.287 0.041 0.000 0.945 367 K CB 0.058 32.569 32.500 0.018 0.000 0.732 367 K HN 0.671 nan 8.250 nan 0.000 0.451 368 D N 0.791 121.214 120.400 0.038 0.000 2.178 368 D HA -0.204 4.415 4.640 -0.034 0.000 0.201 368 D C 1.214 177.475 176.300 -0.066 0.000 0.980 368 D CA 1.305 55.302 54.000 -0.004 0.000 0.842 368 D CB -0.089 40.726 40.800 0.026 0.000 0.948 368 D HN 0.284 nan 8.370 nan 0.000 0.472 369 K N 0.033 120.361 120.400 -0.121 0.000 2.166 369 K HA 0.162 4.462 4.320 -0.034 0.000 0.201 369 K C 2.511 179.040 176.600 -0.118 0.000 1.052 369 K CA 0.143 56.320 56.287 -0.183 0.000 0.969 369 K CB 0.232 32.507 32.500 -0.375 0.000 0.761 369 K HN 0.110 nan 8.250 nan 0.000 0.459 370 I N 2.012 122.556 120.570 -0.044 0.000 2.163 370 I HA -0.282 3.867 4.170 -0.034 0.000 0.243 370 I C 1.155 177.291 176.117 0.031 0.000 1.085 370 I CA 1.315 62.668 61.300 0.088 0.000 1.347 370 I CB -0.172 37.873 38.000 0.075 0.000 1.044 370 I HN 0.143 nan 8.210 nan 0.000 0.408 371 D N 0.732 121.117 120.400 -0.025 0.000 2.352 371 D HA -0.060 4.560 4.640 -0.034 0.000 0.232 371 D C 1.595 177.832 176.300 -0.105 0.000 1.055 371 D CA 0.574 54.542 54.000 -0.053 0.000 0.891 371 D CB -0.004 40.776 40.800 -0.034 0.000 0.897 371 D HN 0.372 nan 8.370 nan 0.000 0.529 372 K N -0.131 120.179 120.400 -0.149 0.000 2.426 372 K HA 0.100 4.400 4.320 -0.034 0.000 0.193 372 K C 0.243 176.668 176.600 -0.291 0.000 1.028 372 K CA 0.204 56.378 56.287 -0.189 0.000 1.047 372 K CB 1.120 33.511 32.500 -0.183 0.000 0.821 372 K HN -0.086 nan 8.250 nan 0.000 0.513 373 V N 0.850 120.517 119.914 -0.412 0.000 2.604 373 V HA 0.365 4.465 4.120 -0.034 0.000 0.305 373 V C -0.543 175.230 176.094 -0.535 0.000 1.043 373 V CA -1.223 60.686 62.300 -0.651 0.000 0.888 373 V CB 1.666 32.674 31.823 -1.359 0.000 0.995 373 V HN 0.032 nan 8.190 nan 0.000 0.429 374 A N 3.230 125.827 122.820 -0.372 0.000 2.922 374 A HA 0.380 4.680 4.320 -0.034 0.000 0.298 374 A C 0.382 177.852 177.584 -0.189 0.000 1.588 374 A CA -0.071 51.839 52.037 -0.211 0.000 1.288 374 A CB -0.642 18.297 19.000 -0.102 0.000 1.130 374 A HN 0.829 nan 8.150 nan 0.000 0.557 375 Y N 1.492 121.771 120.300 -0.035 0.000 2.352 375 Y HA -0.215 4.314 4.550 -0.034 0.000 0.292 375 Y C 2.386 178.291 175.900 0.008 0.000 1.136 375 Y CA 1.623 59.721 58.100 -0.003 0.000 1.227 375 Y CB -0.221 38.223 38.460 -0.027 0.000 0.991 375 Y HN 0.803 nan 8.280 nan 0.000 0.545 376 N N -0.178 118.599 118.700 0.127 0.000 2.364 376 N HA -0.118 4.602 4.740 -0.034 0.000 0.183 376 N C 1.537 177.079 175.510 0.053 0.000 1.022 376 N CA 1.505 54.600 53.050 0.075 0.000 0.883 376 N CB -0.792 37.722 38.487 0.044 0.000 0.965 376 N HN 0.281 nan 8.380 nan 0.000 0.438 377 V N 1.220 121.159 119.914 0.042 0.000 2.426 377 V HA 0.079 4.179 4.120 -0.034 0.000 0.242 377 V C 2.791 178.918 176.094 0.054 0.000 1.036 377 V CA 1.334 63.654 62.300 0.034 0.000 1.044 377 V CB -0.925 30.907 31.823 0.015 0.000 0.688 377 V HN 0.419 nan 8.190 nan 0.000 0.462 378 A N 0.929 123.800 122.820 0.085 0.000 1.978 378 A HA -0.296 4.003 4.320 -0.034 0.000 0.220 378 A C 2.210 179.865 177.584 0.119 0.000 1.170 378 A CA 1.989 54.101 52.037 0.126 0.000 0.636 378 A CB -0.582 18.573 19.000 0.259 0.000 0.810 378 A HN 0.784 nan 8.150 nan 0.000 0.448 379 Q N -0.340 119.532 119.800 0.121 0.000 2.234 379 Q HA -0.198 4.122 4.340 -0.034 0.000 0.206 379 Q C 1.119 177.134 176.000 0.026 0.000 0.980 379 Q CA 1.514 57.358 55.803 0.069 0.000 0.869 379 Q CB -0.565 28.203 28.738 0.051 0.000 0.912 379 Q HN 0.573 nan 8.270 nan 0.000 0.436 380 N N 0.533 119.249 118.700 0.027 0.000 2.453 380 N HA -0.038 4.682 4.740 -0.034 0.000 0.183 380 N C 0.978 176.491 175.510 0.006 0.000 1.041 380 N CA 1.152 54.209 53.050 0.011 0.000 0.900 380 N CB 0.084 38.579 38.487 0.013 0.000 0.961 380 N HN 0.268 nan 8.380 nan 0.000 0.443 381 S N -0.045 115.662 115.700 0.011 0.000 2.524 381 S HA 0.253 4.703 4.470 -0.034 0.000 0.216 381 S C 0.743 175.340 174.600 -0.005 0.000 0.987 381 S CA 0.113 58.316 58.200 0.004 0.000 0.909 381 S CB 0.464 63.667 63.200 0.004 0.000 0.781 381 S HN 0.210 nan 8.310 nan 0.000 0.521 382 M N 0.879 120.470 119.600 -0.015 0.000 2.528 382 M HA 0.369 4.828 4.480 -0.034 0.000 0.321 382 M C 0.053 176.283 176.300 -0.117 0.000 1.153 382 M CA -0.515 54.761 55.300 -0.040 0.000 0.951 382 M CB 1.577 34.169 32.600 -0.014 0.000 1.705 382 M HN -0.121 nan 8.290 nan 0.000 0.451 383 D N 0.179 120.470 120.400 -0.183 0.000 2.162 383 D HA 0.028 4.648 4.640 -0.034 0.000 0.205 383 D C 0.016 175.848 176.300 -0.779 0.000 0.964 383 D CA 1.308 55.048 54.000 -0.434 0.000 0.847 383 D CB 0.461 41.035 40.800 -0.378 0.000 0.988 383 D HN 0.495 nan 8.370 nan 0.000 0.480 384 H N -0.830 118.111 119.070 -0.216 0.000 2.996 384 H HA 0.427 4.963 4.556 -0.034 0.000 0.368 384 H C -0.581 174.440 175.328 -0.512 0.000 1.185 384 H CA -0.526 55.263 56.048 -0.433 0.000 1.160 384 H CB 2.004 31.296 29.762 -0.784 0.000 1.820 384 H HN -0.149 nan 8.280 nan 0.000 0.547 385 I N 2.782 123.136 120.570 -0.360 0.000 2.382 385 I HA 0.136 4.286 4.170 -0.034 0.000 0.285 385 I C -0.630 175.262 176.117 -0.376 0.000 1.007 385 I CA -0.576 60.539 61.300 -0.308 0.000 1.142 385 I CB 0.676 38.556 38.000 -0.200 0.000 1.289 385 I HN 0.250 nan 8.210 nan 0.000 0.453 386 F N 6.853 126.713 119.950 -0.149 0.000 2.405 386 F HA 0.224 4.731 4.527 -0.034 0.000 0.358 386 F C 0.205 175.937 175.800 -0.114 0.000 1.151 386 F CA -0.576 57.166 58.000 -0.429 0.000 1.161 386 F CB 0.466 38.900 39.000 -0.944 0.000 1.245 386 F HN 0.313 nan 8.300 nan 0.000 0.545 387 L N 5.260 126.664 121.223 0.302 0.000 2.315 387 L HA 0.283 4.603 4.340 -0.034 0.000 0.283 387 L C 0.115 177.165 176.870 0.300 0.000 1.089 387 L CA 0.127 55.099 54.840 0.221 0.000 0.833 387 L CB 0.312 42.460 42.059 0.148 0.000 1.170 387 L HN 0.512 nan 8.230 nan 0.000 0.442 388 M N 4.930 124.577 119.600 0.078 0.000 3.237 388 M HA 0.104 4.564 4.480 -0.034 0.000 0.266 388 M C 0.538 176.470 176.300 -0.614 0.000 1.456 388 M CA 0.029 55.089 55.300 -0.400 0.000 1.593 388 M CB -0.378 32.038 32.600 -0.308 0.000 1.129 388 M HN 0.753 nan 8.290 nan 0.000 0.547 389 S N 1.872 117.304 115.700 -0.446 0.000 3.983 389 S HA 0.311 4.761 4.470 -0.034 0.000 0.194 389 S C -0.614 173.579 174.600 -0.678 0.000 1.464 389 S CA -0.566 57.468 58.200 -0.277 0.000 1.021 389 S CB -0.940 62.329 63.200 0.115 0.000 1.424 389 S HN 0.569 nan 8.310 nan 0.000 0.473 390 Y N -2.893 116.973 120.300 -0.723 0.000 2.744 390 Y HA 0.592 5.121 4.550 -0.034 0.000 0.330 390 Y C -0.433 175.148 175.900 -0.532 0.000 1.263 390 Y CA -1.845 55.850 58.100 -0.674 0.000 1.065 390 Y CB -0.264 38.034 38.460 -0.271 0.000 1.306 390 Y HN 0.154 nan 8.280 nan 0.000 0.459 391 D N -0.096 120.357 120.400 0.088 0.000 2.772 391 D HA -0.198 4.422 4.640 -0.034 0.000 0.233 391 D C 0.370 176.823 176.300 0.255 0.000 1.143 391 D CA 1.003 55.145 54.000 0.237 0.000 0.700 391 D CB -1.288 39.656 40.800 0.239 0.000 1.076 391 D HN 0.493 nan 8.370 nan 0.000 0.430 392 F N -0.689 119.421 119.950 0.268 0.000 2.234 392 F HA 0.021 4.527 4.527 -0.035 0.000 0.299 392 F C 1.197 177.036 175.800 0.066 0.000 1.087 392 F CA 0.869 58.959 58.000 0.149 0.000 1.340 392 F CB -0.249 38.910 39.000 0.265 0.000 1.031 392 F HN 0.111 nan 8.300 nan 0.000 0.500 393 Y N -1.895 118.690 120.300 0.474 0.000 2.715 393 Y HA 0.670 5.200 4.550 -0.032 0.000 0.331 393 Y C 0.543 176.372 175.900 -0.118 0.000 1.197 393 Y CA -0.953 57.315 58.100 0.279 0.000 1.079 393 Y CB 1.513 40.218 38.460 0.408 0.000 1.298 393 Y HN -0.082 nan 8.280 nan 0.000 0.477 394 G N -0.709 107.981 108.800 -0.182 0.000 2.369 394 G HA2 0.372 4.311 3.960 -0.034 0.000 0.293 394 G HA3 0.372 4.311 3.960 -0.034 0.000 0.293 394 G C -0.627 173.792 174.900 -0.801 0.000 1.301 394 G CA -0.270 44.376 45.100 -0.758 0.000 0.913 394 G HN 0.979 nan 8.290 nan 0.000 0.540 395 A N -0.629 121.764 122.820 -0.713 0.000 2.235 395 A HA 0.400 4.700 4.320 -0.034 0.000 0.208 395 A C 1.787 179.354 177.584 -0.029 0.000 1.172 395 A CA 1.782 53.622 52.037 -0.329 0.000 0.786 395 A CB -0.924 17.914 19.000 -0.269 0.000 0.804 395 A HN 1.468 nan 8.150 nan 0.000 0.479 396 F N -0.922 119.079 119.950 0.086 0.000 2.502 396 F HA 0.194 4.702 4.527 -0.032 0.000 0.298 396 F C 0.329 176.233 175.800 0.175 0.000 1.111 396 F CA -0.092 57.971 58.000 0.105 0.000 1.445 396 F CB -0.215 38.819 39.000 0.056 0.000 1.081 396 F HN 0.152 nan 8.300 nan 0.000 0.558 397 D N 0.653 121.137 120.400 0.139 0.000 2.620 397 D HA 0.285 4.905 4.640 -0.034 0.000 0.252 397 D C 0.223 176.692 176.300 0.283 0.000 1.207 397 D CA -0.431 53.714 54.000 0.241 0.000 0.884 397 D CB 1.551 42.511 40.800 0.267 0.000 1.262 397 D HN 0.170 nan 8.370 nan 0.000 0.552 398 L N 2.864 124.213 121.223 0.211 0.000 2.567 398 L HA 0.189 4.509 4.340 -0.034 0.000 0.225 398 L C 1.895 178.772 176.870 0.011 0.000 1.119 398 L CA 0.251 55.186 54.840 0.159 0.000 0.871 398 L CB 0.283 42.434 42.059 0.153 0.000 1.036 398 L HN 0.207 nan 8.230 nan 0.000 0.459 399 K N -0.267 120.157 120.400 0.040 0.000 2.214 399 K HA 0.127 4.427 4.320 -0.034 0.000 0.201 399 K C 0.276 176.865 176.600 -0.019 0.000 1.049 399 K CA 0.325 56.613 56.287 0.003 0.000 0.978 399 K CB 0.456 32.981 32.500 0.043 0.000 0.842 399 K HN 0.124 nan 8.250 nan 0.000 0.474 400 N N 2.016 120.750 118.700 0.057 0.000 2.707 400 N HA 0.226 4.946 4.740 -0.034 0.000 0.235 400 N C -0.887 174.709 175.510 0.143 0.000 1.028 400 N CA -0.067 53.052 53.050 0.115 0.000 0.906 400 N CB 1.002 39.625 38.487 0.227 0.000 1.131 400 N HN 0.031 nan 8.380 nan 0.000 0.509 401 L N 0.270 121.407 121.223 -0.144 0.000 2.399 401 L HA 0.843 5.163 4.340 -0.034 0.000 0.265 401 L C 1.093 177.695 176.870 -0.446 0.000 1.089 401 L CA -0.755 53.861 54.840 -0.374 0.000 0.802 401 L CB 1.311 42.856 42.059 -0.858 0.000 1.180 401 L HN 0.360 nan 8.230 nan 0.000 0.454 402 G N -1.204 107.276 108.800 -0.534 0.000 2.466 402 G HA2 0.256 4.195 3.960 -0.034 0.000 0.291 402 G HA3 0.256 4.195 3.960 -0.034 0.000 0.291 402 G C -1.543 173.004 174.900 -0.589 0.000 1.460 402 G CA -0.770 43.578 45.100 -1.253 0.000 0.791 402 G HN 0.471 nan 8.290 nan 0.000 0.505 403 H N 0.727 119.466 119.070 -0.552 0.000 2.848 403 H HA 0.101 4.638 4.556 -0.033 0.000 0.317 403 H C 1.440 176.949 175.328 0.301 0.000 1.046 403 H CA 0.774 56.749 56.048 -0.122 0.000 1.470 403 H CB 1.820 31.452 29.762 -0.216 0.000 1.483 403 H HN 0.740 nan 8.280 nan 0.000 0.548 404 Q N 1.419 121.482 119.800 0.438 0.000 2.378 404 Q HA -0.030 4.290 4.340 -0.034 0.000 0.205 404 Q C 0.932 177.042 176.000 0.183 0.000 0.954 404 Q CA 1.306 57.351 55.803 0.403 0.000 0.901 404 Q CB 0.611 29.501 28.738 0.253 0.000 0.981 404 Q HN 0.481 nan 8.270 nan 0.000 0.483 405 T N -0.801 113.864 114.554 0.185 0.000 3.567 405 T HA 0.522 4.852 4.350 -0.034 0.000 0.314 405 T C -0.330 174.469 174.700 0.164 0.000 0.942 405 T CA 0.061 62.163 62.100 0.004 0.000 0.997 405 T CB -0.014 68.806 68.868 -0.079 0.000 1.205 405 T HN 0.434 nan 8.240 nan 0.000 0.518 406 A N 1.029 124.008 122.820 0.266 0.000 2.425 406 A HA 0.532 4.832 4.320 -0.034 0.000 0.242 406 A C 1.431 179.053 177.584 0.063 0.000 1.077 406 A CA -0.258 51.804 52.037 0.041 0.000 0.781 406 A CB 0.068 19.015 19.000 -0.087 0.000 1.020 406 A HN 0.482 nan 8.150 nan 0.000 0.494 407 L N 1.371 122.547 121.223 -0.079 0.000 2.056 407 L HA 0.014 4.333 4.340 -0.034 0.000 0.207 407 L C 0.558 177.317 176.870 -0.184 0.000 1.078 407 L CA 1.688 56.438 54.840 -0.150 0.000 0.749 407 L CB -0.453 41.475 42.059 -0.217 0.000 0.901 407 L HN 0.767 nan 8.230 nan 0.000 0.433 408 N N -1.380 117.210 118.700 -0.183 0.000 2.577 408 N HA 0.508 5.228 4.740 -0.034 0.000 0.285 408 N C -0.823 174.565 175.510 -0.203 0.000 1.309 408 N CA -0.021 52.914 53.050 -0.193 0.000 0.798 408 N CB 1.310 39.687 38.487 -0.183 0.000 1.463 408 N HN 0.119 nan 8.380 nan 0.000 0.518 409 A N 1.120 123.809 122.820 -0.218 0.000 2.386 409 A HA 0.434 4.733 4.320 -0.034 0.000 0.248 409 A C -2.094 175.273 177.584 -0.362 0.000 1.082 409 A CA -0.738 51.133 52.037 -0.277 0.000 0.789 409 A CB -0.420 18.424 19.000 -0.260 0.000 1.025 409 A HN 0.413 nan 8.150 nan 0.000 0.490 410 P HA 0.257 nan 4.420 nan 0.000 0.276 410 P C 0.594 177.484 177.300 -0.683 0.000 1.252 410 P CA 0.325 62.917 63.100 -0.846 0.000 0.802 410 P CB 1.096 31.615 31.700 -1.968 0.000 1.035 411 A N 1.382 123.942 122.820 -0.434 0.000 1.972 411 A HA -0.147 4.153 4.320 -0.034 0.000 0.219 411 A C 1.750 179.273 177.584 -0.102 0.000 1.169 411 A CA 1.425 53.362 52.037 -0.167 0.000 0.635 411 A CB -1.653 17.355 19.000 0.012 0.000 0.810 411 A HN 0.818 nan 8.150 nan 0.000 0.446 412 W N -0.944 120.320 121.300 -0.060 0.000 2.937 412 W HA 0.339 4.983 4.660 -0.026 0.000 0.245 412 W C 0.460 176.931 176.519 -0.080 0.000 1.306 412 W CA 0.650 57.955 57.345 -0.065 0.000 1.470 412 W CB 0.148 29.565 29.460 -0.072 0.000 1.132 412 W HN 0.131 nan 8.180 nan 0.000 0.675 413 K N 1.280 121.416 120.400 -0.440 0.000 2.897 413 K HA 0.140 4.440 4.320 -0.034 0.000 0.243 413 K C -2.382 174.038 176.600 -0.299 0.000 1.189 413 K CA -1.043 55.080 56.287 -0.273 0.000 1.032 413 K CB 1.096 33.467 32.500 -0.216 0.000 1.302 413 K HN -0.331 nan 8.250 nan 0.000 0.568 414 P HA -0.073 nan 4.420 nan 0.000 0.237 414 P C 0.245 177.454 177.300 -0.152 0.000 1.178 414 P CA 0.773 63.764 63.100 -0.181 0.000 0.766 414 P CB 0.165 31.788 31.700 -0.127 0.000 0.876 415 D N -2.225 118.091 120.400 -0.140 0.000 2.369 415 D HA -0.012 4.607 4.640 -0.034 0.000 0.211 415 D C -0.032 176.178 176.300 -0.151 0.000 1.077 415 D CA 0.025 53.949 54.000 -0.127 0.000 0.842 415 D CB -1.192 39.550 40.800 -0.096 0.000 0.947 415 D HN -0.142 nan 8.370 nan 0.000 0.509 416 T N 0.890 115.343 114.554 -0.168 0.000 2.819 416 T HA 0.198 4.528 4.350 -0.034 0.000 0.282 416 T C 1.397 175.957 174.700 -0.233 0.000 1.013 416 T CA 0.580 62.584 62.100 -0.161 0.000 1.159 416 T CB 1.190 69.963 68.868 -0.159 0.000 1.007 416 T HN 0.311 nan 8.240 nan 0.000 0.514 417 A N 3.991 126.599 122.820 -0.353 0.000 1.872 417 A HA 0.042 4.342 4.320 -0.034 0.000 0.214 417 A C 0.395 177.626 177.584 -0.588 0.000 1.187 417 A CA 0.900 52.606 52.037 -0.552 0.000 0.614 417 A CB -0.232 18.235 19.000 -0.887 0.000 0.826 417 A HN 0.776 nan 8.150 nan 0.000 0.442 418 Y N 1.514 121.634 120.300 -0.300 0.000 2.594 418 Y HA 0.460 4.989 4.550 -0.034 0.000 0.342 418 Y C 0.757 176.037 175.900 -1.034 0.000 1.010 418 Y CA -0.521 57.197 58.100 -0.637 0.000 1.270 418 Y CB 0.087 38.238 38.460 -0.516 0.000 1.125 418 Y HN 0.276 nan 8.280 nan 0.000 0.513 419 T N -2.793 111.279 114.554 -0.803 0.000 2.901 419 T HA 0.319 4.648 4.350 -0.034 0.000 0.293 419 T C 0.972 175.422 174.700 -0.416 0.000 1.084 419 T CA -0.667 61.037 62.100 -0.660 0.000 1.008 419 T CB 1.652 70.347 68.868 -0.288 0.000 1.170 419 T HN 0.291 nan 8.240 nan 0.000 0.509 420 T N 1.017 115.571 114.554 -0.001 0.000 2.674 420 T HA -0.107 4.223 4.350 -0.034 0.000 0.265 420 T C 2.114 176.824 174.700 0.018 0.000 1.039 420 T CA 1.590 63.779 62.100 0.147 0.000 1.150 420 T CB -0.470 68.465 68.868 0.112 0.000 0.864 420 T HN 0.491 nan 8.240 nan 0.000 0.427 421 V N 2.729 122.576 119.914 -0.112 0.000 2.282 421 V HA -0.244 3.856 4.120 -0.034 0.000 0.249 421 V C 2.438 178.524 176.094 -0.013 0.000 1.057 421 V CA 1.763 64.018 62.300 -0.075 0.000 1.032 421 V CB -0.708 31.024 31.823 -0.152 0.000 0.645 421 V HN 0.463 nan 8.190 nan 0.000 0.447 422 N N 0.754 119.411 118.700 -0.071 0.000 2.166 422 N HA -0.119 4.600 4.740 -0.034 0.000 0.186 422 N C 1.841 177.340 175.510 -0.018 0.000 1.019 422 N CA 1.648 54.662 53.050 -0.061 0.000 0.856 422 N CB -0.716 37.701 38.487 -0.116 0.000 0.993 422 N HN 0.548 nan 8.380 nan 0.000 0.426 423 G N 0.636 109.437 108.800 0.002 0.000 2.394 423 G HA2 -0.130 3.810 3.960 -0.034 0.000 0.215 423 G HA3 -0.130 3.810 3.960 -0.034 0.000 0.215 423 G C 1.729 176.654 174.900 0.041 0.000 1.165 423 G CA 0.583 45.703 45.100 0.034 0.000 0.784 423 G HN 0.169 nan 8.290 nan 0.000 0.535 424 V N 1.807 121.770 119.914 0.081 0.000 2.287 424 V HA -0.240 3.860 4.120 -0.034 0.000 0.248 424 V C 2.697 178.826 176.094 0.059 0.000 1.053 424 V CA 2.072 64.428 62.300 0.094 0.000 1.027 424 V CB -0.511 31.436 31.823 0.206 0.000 0.646 424 V HN 0.310 nan 8.190 nan 0.000 0.447 425 N N 0.351 119.086 118.700 0.058 0.000 2.166 425 N HA -0.099 4.621 4.740 -0.034 0.000 0.186 425 N C 1.872 177.392 175.510 0.017 0.000 1.019 425 N CA 1.588 54.659 53.050 0.035 0.000 0.856 425 N CB -0.597 37.904 38.487 0.024 0.000 0.993 425 N HN 0.499 nan 8.380 nan 0.000 0.426 426 A N 1.333 124.160 122.820 0.012 0.000 1.908 426 A HA -0.100 4.200 4.320 -0.034 0.000 0.218 426 A C 2.364 179.961 177.584 0.021 0.000 1.181 426 A CA 1.047 53.091 52.037 0.011 0.000 0.627 426 A CB -0.786 18.220 19.000 0.010 0.000 0.818 426 A HN 0.222 nan 8.150 nan 0.000 0.445 427 L N -0.753 120.477 121.223 0.011 0.000 2.017 427 L HA -0.183 4.137 4.340 -0.034 0.000 0.208 427 L C 2.598 179.478 176.870 0.018 0.000 1.073 427 L CA 1.216 56.061 54.840 0.008 0.000 0.745 427 L CB -0.633 41.396 42.059 -0.049 0.000 0.894 427 L HN 0.375 nan 8.230 nan 0.000 0.432 428 L N -0.277 120.953 121.223 0.012 0.000 2.079 428 L HA -0.207 4.113 4.340 -0.034 0.000 0.210 428 L C 2.841 179.718 176.870 0.013 0.000 1.081 428 L CA 1.152 55.998 54.840 0.011 0.000 0.752 428 L CB -0.779 41.286 42.059 0.010 0.000 0.896 428 L HN 0.256 nan 8.230 nan 0.000 0.433 429 A N -0.586 122.243 122.820 0.014 0.000 1.969 429 A HA -0.204 4.096 4.320 -0.034 0.000 0.218 429 A C 2.224 179.816 177.584 0.014 0.000 1.169 429 A CA 1.187 53.231 52.037 0.010 0.000 0.635 429 A CB -0.357 18.646 19.000 0.006 0.000 0.810 429 A HN 0.483 nan 8.150 nan 0.000 0.445 430 Q N -1.752 118.063 119.800 0.025 0.000 2.226 430 Q HA 0.054 4.373 4.340 -0.034 0.000 0.204 430 Q C 1.290 177.306 176.000 0.026 0.000 0.975 430 Q CA 0.944 56.765 55.803 0.031 0.000 0.866 430 Q CB -0.115 28.660 28.738 0.062 0.000 0.915 430 Q HN 0.925 nan 8.270 nan 0.000 0.440 431 G N -0.185 108.629 108.800 0.025 0.000 2.183 431 G HA2 -0.179 3.761 3.960 -0.034 0.000 0.168 431 G HA3 -0.179 3.761 3.960 -0.034 0.000 0.168 431 G C -0.004 174.910 174.900 0.024 0.000 1.008 431 G CA -0.185 44.927 45.100 0.020 0.000 0.677 431 G HN 0.141 nan 8.290 nan 0.000 0.498 432 V N 1.519 121.452 119.914 0.031 0.000 2.585 432 V HA 0.238 4.338 4.120 -0.034 0.000 0.296 432 V C 1.047 177.144 176.094 0.005 0.000 1.035 432 V CA 0.225 62.540 62.300 0.025 0.000 1.084 432 V CB 0.974 32.807 31.823 0.018 0.000 0.953 432 V HN 0.366 nan 8.190 nan 0.000 0.483 433 K N 7.533 127.933 120.400 -0.000 0.000 2.350 433 K HA 0.189 4.489 4.320 -0.034 0.000 0.279 433 K C -1.460 175.130 176.600 -0.016 0.000 1.027 433 K CA -1.203 55.079 56.287 -0.008 0.000 0.969 433 K CB 0.576 33.070 32.500 -0.010 0.000 0.954 433 K HN 0.413 nan 8.250 nan 0.000 0.474 434 P HA -0.171 nan 4.420 nan 0.000 0.217 434 P C 1.202 178.487 177.300 -0.026 0.000 1.150 434 P CA 1.262 64.344 63.100 -0.031 0.000 0.832 434 P CB 0.032 31.706 31.700 -0.043 0.000 0.787 435 G N 0.398 109.187 108.800 -0.018 0.000 2.535 435 G HA2 -0.203 3.737 3.960 -0.034 0.000 0.218 435 G HA3 -0.203 3.737 3.960 -0.034 0.000 0.218 435 G C 1.595 176.497 174.900 0.003 0.000 1.122 435 G CA 0.452 45.550 45.100 -0.004 0.000 0.769 435 G HN 0.222 nan 8.290 nan 0.000 0.549 436 K N -0.102 120.286 120.400 -0.019 0.000 2.305 436 K HA 0.158 4.458 4.320 -0.034 0.000 0.199 436 K C 0.822 177.398 176.600 -0.039 0.000 1.047 436 K CA 0.075 56.337 56.287 -0.041 0.000 0.976 436 K CB 0.252 32.718 32.500 -0.057 0.000 0.765 436 K HN 0.337 nan 8.250 nan 0.000 0.474 437 I N 2.269 122.825 120.570 -0.024 0.000 2.312 437 I HA 0.057 4.207 4.170 -0.034 0.000 0.291 437 I C -0.300 175.836 176.117 0.032 0.000 1.031 437 I CA -0.617 60.672 61.300 -0.019 0.000 1.293 437 I CB 1.312 39.307 38.000 -0.008 0.000 1.403 437 I HN -0.351 nan 8.210 nan 0.000 0.484 438 V N 7.706 127.653 119.914 0.054 0.000 2.370 438 V HA 0.258 4.358 4.120 -0.034 0.000 0.279 438 V C 0.299 176.636 176.094 0.406 0.000 1.029 438 V CA -0.694 61.729 62.300 0.206 0.000 0.870 438 V CB 1.662 33.602 31.823 0.195 0.000 0.984 438 V HN 0.376 nan 8.190 nan 0.000 0.451 439 V N 4.068 124.181 119.914 0.333 0.000 2.649 439 V HA 0.518 4.617 4.120 -0.034 0.000 0.292 439 V C 1.019 177.236 176.094 0.205 0.000 1.055 439 V CA 0.031 62.504 62.300 0.288 0.000 1.023 439 V CB 1.649 33.608 31.823 0.226 0.000 0.992 439 V HN 0.983 nan 8.190 nan 0.000 0.480 440 G N 2.764 111.577 108.800 0.021 0.000 2.372 440 G HA2 0.565 4.505 3.960 -0.034 0.000 0.283 440 G HA3 0.565 4.505 3.960 -0.034 0.000 0.283 440 G C -0.070 174.717 174.900 -0.188 0.000 1.177 440 G CA -0.073 44.738 45.100 -0.482 0.000 0.842 440 G HN 0.834 nan 8.290 nan 0.000 0.503 441 T N -1.059 113.370 114.554 -0.208 0.000 2.887 441 T HA 0.729 5.058 4.350 -0.034 0.000 0.288 441 T C -0.122 174.526 174.700 -0.087 0.000 1.021 441 T CA -0.562 61.484 62.100 -0.090 0.000 1.000 441 T CB 2.085 70.892 68.868 -0.102 0.000 1.034 441 T HN 0.996 nan 8.240 nan 0.000 0.467 442 A N 3.311 126.027 122.820 -0.174 0.000 2.276 442 A HA 0.640 4.940 4.320 -0.034 0.000 0.316 442 A C 0.698 178.106 177.584 -0.292 0.000 1.229 442 A CA -0.983 50.799 52.037 -0.426 0.000 0.851 442 A CB 0.262 18.780 19.000 -0.803 0.000 1.165 442 A HN 0.981 nan 8.150 nan 0.000 0.513 443 M N 2.331 121.858 119.600 -0.121 0.000 2.571 443 M HA 0.202 4.662 4.480 -0.034 0.000 0.235 443 M C -0.815 175.592 176.300 0.177 0.000 1.216 443 M CA 0.316 55.612 55.300 -0.006 0.000 0.979 443 M CB -0.684 31.917 32.600 0.001 0.000 1.616 443 M HN 0.758 nan 8.290 nan 0.000 0.469 444 Y N -3.344 117.022 120.300 0.109 0.000 2.615 444 Y HA 0.895 5.425 4.550 -0.034 0.000 0.341 444 Y C -0.277 175.728 175.900 0.176 0.000 1.089 444 Y CA -1.850 56.336 58.100 0.143 0.000 1.049 444 Y CB 0.460 38.990 38.460 0.118 0.000 1.296 444 Y HN -0.089 nan 8.280 nan 0.000 0.470 445 G N 1.289 110.243 108.800 0.256 0.000 2.441 445 G HA2 0.698 4.638 3.960 -0.034 0.000 0.334 445 G HA3 0.698 4.638 3.960 -0.034 0.000 0.334 445 G C -1.265 173.780 174.900 0.243 0.000 1.161 445 G CA -1.444 43.789 45.100 0.223 0.000 0.935 445 G HN 0.666 nan 8.290 nan 0.000 0.488 446 R N -0.709 119.872 120.500 0.134 0.000 2.668 446 R HA 0.741 5.061 4.340 -0.034 0.000 0.279 446 R C -0.017 176.130 176.300 -0.255 0.000 0.976 446 R CA -0.394 55.674 56.100 -0.052 0.000 0.978 446 R CB 2.172 32.410 30.300 -0.103 0.000 1.133 446 R HN 0.750 nan 8.270 nan 0.000 0.484 447 G N 0.459 108.993 108.800 -0.444 0.000 2.600 447 G HA2 0.471 4.411 3.960 -0.034 0.000 0.293 447 G HA3 0.471 4.411 3.960 -0.034 0.000 0.293 447 G C -1.885 172.696 174.900 -0.532 0.000 1.408 447 G CA -0.633 44.173 45.100 -0.490 0.000 0.782 447 G HN 0.360 nan 8.290 nan 0.000 0.482 448 W N -0.693 120.624 121.300 0.028 0.000 2.882 448 W HA 0.704 5.345 4.660 -0.031 0.000 0.345 448 W C -0.333 176.191 176.519 0.009 0.000 1.125 448 W CA -0.552 56.799 57.345 0.011 0.000 1.167 448 W CB 2.252 31.709 29.460 -0.006 0.000 1.431 448 W HN 0.656 nan 8.180 nan 0.000 0.543 449 T N -0.891 113.804 114.554 0.234 0.000 2.930 449 T HA 0.514 4.844 4.350 -0.034 0.000 0.290 449 T C 0.581 175.348 174.700 0.112 0.000 1.052 449 T CA 0.572 62.745 62.100 0.122 0.000 1.017 449 T CB 1.134 70.035 68.868 0.055 0.000 1.137 449 T HN 0.923 nan 8.240 nan 0.000 0.511 450 G N 1.410 110.245 108.800 0.058 0.000 2.198 450 G HA2 -0.194 3.746 3.960 -0.034 0.000 0.260 450 G HA3 -0.194 3.746 3.960 -0.034 0.000 0.260 450 G C 0.184 175.128 174.900 0.073 0.000 1.025 450 G CA 0.233 45.362 45.100 0.049 0.000 0.769 450 G HN 0.934 nan 8.290 nan 0.000 0.507 451 V N 0.832 120.812 119.914 0.111 0.000 2.673 451 V HA 0.465 4.565 4.120 -0.034 0.000 0.303 451 V C 0.559 176.778 176.094 0.208 0.000 1.046 451 V CA 0.833 63.187 62.300 0.090 0.000 1.126 451 V CB 0.996 32.834 31.823 0.024 0.000 0.934 451 V HN 1.068 nan 8.190 nan 0.000 0.487 452 N N 1.557 120.359 118.700 0.171 0.000 2.859 452 N HA 0.562 5.282 4.740 -0.034 0.000 0.250 452 N C -0.060 175.464 175.510 0.024 0.000 1.341 452 N CA -0.143 52.982 53.050 0.125 0.000 0.881 452 N CB 1.555 40.063 38.487 0.034 0.000 1.516 452 N HN 1.000 nan 8.380 nan 0.000 0.503 453 G N -0.384 108.318 108.800 -0.163 0.000 2.246 453 G HA2 -0.236 3.704 3.960 -0.034 0.000 0.273 453 G HA3 -0.236 3.704 3.960 -0.034 0.000 0.273 453 G C -0.676 174.127 174.900 -0.162 0.000 1.055 453 G CA 0.765 45.757 45.100 -0.180 0.000 0.851 453 G HN 1.012 nan 8.290 nan 0.000 0.500 454 Y N -1.041 119.158 120.300 -0.167 0.000 2.457 454 Y HA 0.806 5.347 4.550 -0.015 0.000 0.333 454 Y C 0.400 176.186 175.900 -0.190 0.000 1.119 454 Y CA -1.566 56.398 58.100 -0.226 0.000 1.143 454 Y CB 1.027 39.285 38.460 -0.336 0.000 1.230 454 Y HN 0.342 nan 8.280 nan 0.000 0.469 455 Q N 1.074 120.844 119.800 -0.049 0.000 2.205 455 Q HA 0.311 4.631 4.340 -0.034 0.000 0.249 455 Q C -0.480 175.500 176.000 -0.033 0.000 0.948 455 Q CA -0.872 54.888 55.803 -0.071 0.000 0.895 455 Q CB 0.945 29.640 28.738 -0.072 0.000 1.249 455 Q HN 0.942 nan 8.270 nan 0.000 0.458 456 N N 1.344 120.027 118.700 -0.028 0.000 2.725 456 N HA -0.213 4.507 4.740 -0.034 0.000 0.249 456 N C -0.720 174.788 175.510 -0.003 0.000 1.103 456 N CA 1.002 54.043 53.050 -0.015 0.000 0.707 456 N CB -1.205 37.268 38.487 -0.023 0.000 1.043 456 N HN 0.850 nan 8.380 nan 0.000 0.553 457 N N -1.368 117.358 118.700 0.043 0.000 2.693 457 N HA -0.211 4.509 4.740 -0.034 0.000 0.249 457 N C -0.678 174.761 175.510 -0.117 0.000 1.119 457 N CA 0.982 54.062 53.050 0.050 0.000 0.717 457 N CB -0.730 37.788 38.487 0.052 0.000 1.071 457 N HN 0.458 nan 8.380 nan 0.000 0.555 458 I N 0.638 121.076 120.570 -0.220 0.000 2.359 458 I HA 0.188 4.338 4.170 -0.034 0.000 0.284 458 I C -1.401 174.259 176.117 -0.762 0.000 1.018 458 I CA -2.004 58.981 61.300 -0.526 0.000 1.173 458 I CB 1.295 38.847 38.000 -0.747 0.000 1.326 458 I HN -0.284 nan 8.210 nan 0.000 0.462 459 P HA -0.090 nan 4.420 nan 0.000 0.220 459 P C 1.490 178.124 177.300 -1.110 0.000 1.148 459 P CA 1.315 63.453 63.100 -1.603 0.000 0.803 459 P CB 0.088 30.471 31.700 -2.195 0.000 0.782 460 F N -0.077 119.314 119.950 -0.931 0.000 2.546 460 F HA -0.069 4.439 4.527 -0.031 0.000 0.298 460 F C 2.040 177.458 175.800 -0.636 0.000 1.120 460 F CA 1.462 58.984 58.000 -0.796 0.000 1.456 460 F CB -1.597 36.933 39.000 -0.783 0.000 1.088 460 F HN 0.007 nan 8.300 nan 0.000 0.572 461 T N -2.853 111.405 114.554 -0.493 0.000 3.148 461 T HA 0.287 4.616 4.350 -0.034 0.000 0.253 461 T C 1.289 175.879 174.700 -0.184 0.000 1.134 461 T CA 0.356 62.277 62.100 -0.300 0.000 1.051 461 T CB -0.568 68.126 68.868 -0.290 0.000 0.959 461 T HN 0.154 nan 8.240 nan 0.000 0.525 462 G N 1.303 109.985 108.800 -0.197 0.000 2.543 462 G HA2 0.555 4.495 3.960 -0.034 0.000 0.267 462 G HA3 0.555 4.495 3.960 -0.034 0.000 0.267 462 G C -0.294 174.502 174.900 -0.174 0.000 1.406 462 G CA -0.129 44.904 45.100 -0.110 0.000 1.048 462 G HN 0.599 nan 8.290 nan 0.000 0.548 463 T N -3.740 110.731 114.554 -0.137 0.000 2.901 463 T HA 0.752 5.082 4.350 -0.034 0.000 0.293 463 T C -0.323 174.293 174.700 -0.140 0.000 1.084 463 T CA -0.103 61.903 62.100 -0.157 0.000 1.008 463 T CB 1.818 70.638 68.868 -0.080 0.000 1.170 463 T HN 1.241 nan 8.240 nan 0.000 0.509 464 A N 0.548 123.286 122.820 -0.137 0.000 2.313 464 A HA 0.772 5.071 4.320 -0.034 0.000 0.323 464 A C 1.146 178.755 177.584 0.042 0.000 1.133 464 A CA -0.250 51.764 52.037 -0.039 0.000 0.847 464 A CB 1.117 20.114 19.000 -0.006 0.000 1.308 464 A HN 1.296 nan 8.150 nan 0.000 0.475 465 T N -2.735 111.864 114.554 0.075 0.000 3.040 465 T HA 0.529 4.858 4.350 -0.034 0.000 0.250 465 T C 0.707 175.464 174.700 0.094 0.000 1.058 465 T CA 0.788 62.929 62.100 0.070 0.000 0.988 465 T CB -0.166 68.731 68.868 0.048 0.000 0.993 465 T HN 2.156 nan 8.240 nan 0.000 0.519 466 G N 1.514 110.399 108.800 0.142 0.000 2.315 466 G HA2 0.475 4.415 3.960 -0.034 0.000 0.294 466 G HA3 0.475 4.415 3.960 -0.034 0.000 0.294 466 G C -3.487 171.508 174.900 0.158 0.000 1.300 466 G CA -0.925 44.254 45.100 0.131 0.000 0.843 466 G HN 0.060 nan 8.290 nan 0.000 0.527 467 P HA 0.465 nan 4.420 nan 0.000 0.281 467 P C 0.278 177.589 177.300 0.019 0.000 1.249 467 P CA -0.353 62.755 63.100 0.014 0.000 0.810 467 P CB 1.902 33.595 31.700 -0.012 0.000 1.008 468 V N 2.589 122.492 119.914 -0.018 0.000 2.963 468 V HA 0.003 4.102 4.120 -0.034 0.000 0.306 468 V C 0.883 176.970 176.094 -0.011 0.000 1.077 468 V CA -0.215 62.081 62.300 -0.007 0.000 1.124 468 V CB -0.002 31.804 31.823 -0.027 0.000 0.987 468 V HN 0.549 nan 8.190 nan 0.000 0.487 469 K N 4.142 124.541 120.400 -0.002 0.000 2.395 469 K HA 0.278 4.578 4.320 -0.034 0.000 0.283 469 K C 0.289 176.893 176.600 0.007 0.000 1.068 469 K CA 0.449 56.741 56.287 0.008 0.000 1.039 469 K CB -0.092 32.424 32.500 0.026 0.000 0.924 469 K HN 0.901 nan 8.250 nan 0.000 0.468 470 G N 2.319 111.117 108.800 -0.003 0.000 2.547 470 G HA2 0.070 4.010 3.960 -0.034 0.000 0.291 470 G HA3 0.070 4.010 3.960 -0.034 0.000 0.291 470 G C 0.648 175.490 174.900 -0.096 0.000 1.211 470 G CA -0.584 44.508 45.100 -0.014 0.000 0.950 470 G HN 0.672 nan 8.290 nan 0.000 0.504 471 T N -0.486 113.955 114.554 -0.189 0.000 2.737 471 T HA -0.096 4.233 4.350 -0.034 0.000 0.265 471 T C 1.557 175.753 174.700 -0.839 0.000 1.038 471 T CA 1.609 63.363 62.100 -0.577 0.000 1.144 471 T CB -0.103 68.362 68.868 -0.671 0.000 0.866 471 T HN 0.665 nan 8.240 nan 0.000 0.434 472 W N 1.405 122.734 121.300 0.047 0.000 3.063 472 W HA 0.312 4.953 4.660 -0.032 0.000 0.246 472 W C 0.860 177.402 176.519 0.040 0.000 1.145 472 W CA -0.581 56.794 57.345 0.050 0.000 1.510 472 W CB 0.695 30.195 29.460 0.067 0.000 0.904 472 W HN 0.194 nan 8.180 nan 0.000 0.679 473 E N 0.633 120.958 120.200 0.208 0.000 2.408 473 E HA 0.291 4.621 4.350 -0.034 0.000 0.275 473 E C -0.741 175.895 176.600 0.061 0.000 0.935 473 E CA -1.017 55.455 56.400 0.120 0.000 0.775 473 E CB 0.768 30.536 29.700 0.112 0.000 1.277 473 E HN -0.288 nan 8.360 nan 0.000 0.455 474 N N 0.338 119.063 118.700 0.041 0.000 2.412 474 N HA 0.185 4.904 4.740 -0.034 0.000 0.254 474 N C 0.979 176.489 175.510 -0.001 0.000 1.232 474 N CA 1.746 54.808 53.050 0.019 0.000 0.880 474 N CB 0.768 39.269 38.487 0.023 0.000 1.076 474 N HN 0.932 nan 8.380 nan 0.000 0.458 475 G N 0.595 109.377 108.800 -0.030 0.000 2.176 475 G HA2 -0.260 3.680 3.960 -0.034 0.000 0.253 475 G HA3 -0.260 3.680 3.960 -0.034 0.000 0.253 475 G C -0.028 174.829 174.900 -0.072 0.000 0.979 475 G CA 0.027 45.071 45.100 -0.093 0.000 0.641 475 G HN 0.541 nan 8.290 nan 0.000 0.530 476 I N 0.186 120.754 120.570 -0.004 0.000 2.582 476 I HA 0.610 4.760 4.170 -0.034 0.000 0.292 476 I C -0.494 175.675 176.117 0.086 0.000 1.066 476 I CA -1.255 60.080 61.300 0.059 0.000 1.053 476 I CB 2.584 40.610 38.000 0.042 0.000 1.241 476 I HN -0.082 nan 8.210 nan 0.000 0.421 477 V N 4.032 124.028 119.914 0.137 0.000 2.577 477 V HA 0.314 4.413 4.120 -0.034 0.000 0.303 477 V C -0.689 175.501 176.094 0.160 0.000 1.042 477 V CA -0.876 61.490 62.300 0.111 0.000 0.872 477 V CB 1.905 33.784 31.823 0.093 0.000 0.998 477 V HN 0.588 nan 8.190 nan 0.000 0.423 478 D N 1.707 122.187 120.400 0.134 0.000 2.449 478 D HA -0.019 4.601 4.640 -0.034 0.000 0.236 478 D C 0.665 177.024 176.300 0.099 0.000 1.149 478 D CA 0.251 54.354 54.000 0.172 0.000 0.878 478 D CB 0.737 41.631 40.800 0.157 0.000 1.198 478 D HN 0.657 nan 8.370 nan 0.000 0.446 479 Y N 2.771 123.094 120.300 0.039 0.000 2.224 479 Y HA -0.222 4.307 4.550 -0.034 0.000 0.289 479 Y C 2.376 178.239 175.900 -0.063 0.000 1.146 479 Y CA 1.800 59.886 58.100 -0.023 0.000 1.182 479 Y CB 0.042 38.520 38.460 0.030 0.000 0.983 479 Y HN 0.396 nan 8.280 nan 0.000 0.524 480 R N 0.289 120.728 120.500 -0.102 0.000 2.113 480 R HA -0.313 4.007 4.340 -0.034 0.000 0.244 480 R C 2.448 178.561 176.300 -0.312 0.000 1.142 480 R CA 2.379 58.365 56.100 -0.189 0.000 0.953 480 R CB -0.488 29.794 30.300 -0.030 0.000 0.860 480 R HN 0.587 nan 8.270 nan 0.000 0.438 481 Q N 0.153 119.782 119.800 -0.285 0.000 2.172 481 Q HA -0.099 4.220 4.340 -0.034 0.000 0.200 481 Q C 2.132 177.762 176.000 -0.617 0.000 0.964 481 Q CA 1.346 56.894 55.803 -0.426 0.000 0.855 481 Q CB 0.006 28.538 28.738 -0.342 0.000 0.918 481 Q HN 0.480 nan 8.270 nan 0.000 0.444 482 I N 0.630 120.912 120.570 -0.480 0.000 2.127 482 I HA -0.295 3.855 4.170 -0.034 0.000 0.241 482 I C 2.433 178.211 176.117 -0.565 0.000 1.075 482 I CA 1.226 62.218 61.300 -0.513 0.000 1.334 482 I CB -0.515 37.071 38.000 -0.691 0.000 1.040 482 I HN 0.249 nan 8.210 nan 0.000 0.405 483 A N 0.817 123.244 122.820 -0.656 0.000 1.930 483 A HA -0.068 4.232 4.320 -0.034 0.000 0.217 483 A C 2.405 179.783 177.584 -0.344 0.000 1.175 483 A CA 1.801 53.559 52.037 -0.465 0.000 0.627 483 A CB -1.255 17.408 19.000 -0.562 0.000 0.815 483 A HN 0.483 nan 8.150 nan 0.000 0.443 484 G N -1.788 106.778 108.800 -0.390 0.000 2.430 484 G HA2 -0.002 3.938 3.960 -0.034 0.000 0.216 484 G HA3 -0.002 3.938 3.960 -0.034 0.000 0.216 484 G C 1.508 176.192 174.900 -0.360 0.000 1.146 484 G CA 0.989 45.901 45.100 -0.313 0.000 0.793 484 G HN 0.565 nan 8.290 nan 0.000 0.537 485 Q N -1.715 117.732 119.800 -0.588 0.000 2.313 485 Q HA 0.247 4.566 4.340 -0.034 0.000 0.263 485 Q C 0.444 176.073 176.000 -0.619 0.000 0.820 485 Q CA -0.135 55.267 55.803 -0.668 0.000 0.974 485 Q CB 0.767 28.842 28.738 -1.105 0.000 1.156 485 Q HN 0.419 nan 8.270 nan 0.000 0.517 486 F N -0.371 119.260 119.950 -0.532 0.000 2.708 486 F HA 0.375 4.883 4.527 -0.032 0.000 0.300 486 F C 0.545 175.964 175.800 -0.634 0.000 1.118 486 F CA 0.128 57.477 58.000 -1.085 0.000 1.307 486 F CB 0.512 38.600 39.000 -1.519 0.000 0.986 486 F HN -0.056 nan 8.300 nan 0.000 0.522 487 M N 0.344 119.871 119.600 -0.121 0.000 2.876 487 M HA 0.250 4.710 4.480 -0.034 0.000 0.367 487 M C -0.141 176.215 176.300 0.093 0.000 1.242 487 M CA -0.067 55.284 55.300 0.085 0.000 0.889 487 M CB 0.358 33.001 32.600 0.073 0.000 1.353 487 M HN 0.083 nan 8.290 nan 0.000 0.511 488 S N -2.149 113.641 115.700 0.150 0.000 2.643 488 S HA 0.928 5.378 4.470 -0.034 0.000 0.270 488 S C 0.188 174.956 174.600 0.280 0.000 1.166 488 S CA -0.115 58.183 58.200 0.164 0.000 0.815 488 S CB 1.545 64.794 63.200 0.081 0.000 1.139 488 S HN 0.599 nan 8.310 nan 0.000 0.472 489 G N 1.470 110.381 108.800 0.184 0.000 2.561 489 G HA2 -0.316 3.623 3.960 -0.034 0.000 0.289 489 G HA3 -0.316 3.623 3.960 -0.034 0.000 0.289 489 G C 0.515 175.499 174.900 0.139 0.000 1.169 489 G CA 0.611 45.809 45.100 0.162 0.000 0.980 489 G HN 1.055 nan 8.290 nan 0.000 0.550 490 E N 0.036 120.275 120.200 0.065 0.000 2.435 490 E HA 0.043 4.372 4.350 -0.034 0.000 0.195 490 E C 0.207 176.764 176.600 -0.071 0.000 1.029 490 E CA -0.306 56.052 56.400 -0.069 0.000 0.865 490 E CB 0.083 29.653 29.700 -0.218 0.000 0.833 490 E HN 0.402 nan 8.360 nan 0.000 0.510 491 W N 2.378 123.696 121.300 0.029 0.000 2.308 491 W HA 0.065 4.710 4.660 -0.026 0.000 0.324 491 W C 0.313 176.889 176.519 0.094 0.000 1.387 491 W CA -0.256 57.115 57.345 0.045 0.000 1.250 491 W CB 0.366 29.888 29.460 0.103 0.000 1.257 491 W HN -0.033 nan 8.180 nan 0.000 0.554 492 Q N 2.544 122.529 119.800 0.309 0.000 2.327 492 Q HA 0.200 4.520 4.340 -0.034 0.000 0.254 492 Q C -1.157 175.040 176.000 0.328 0.000 0.952 492 Q CA -0.510 55.457 55.803 0.273 0.000 0.884 492 Q CB 1.126 30.004 28.738 0.234 0.000 1.224 492 Q HN 0.452 nan 8.270 nan 0.000 0.422 493 Y N 0.955 121.347 120.300 0.153 0.000 2.341 493 Y HA 0.351 4.880 4.550 -0.034 0.000 0.338 493 Y C -0.939 174.956 175.900 -0.008 0.000 0.965 493 Y CA -0.380 57.791 58.100 0.118 0.000 1.108 493 Y CB 1.854 40.408 38.460 0.156 0.000 1.180 493 Y HN 0.522 nan 8.280 nan 0.000 0.458 494 T N 5.941 120.410 114.554 -0.143 0.000 2.881 494 T HA 0.211 4.541 4.350 -0.034 0.000 0.290 494 T C -1.894 172.751 174.700 -0.093 0.000 1.000 494 T CA -0.536 61.459 62.100 -0.176 0.000 0.978 494 T CB 0.754 69.264 68.868 -0.597 0.000 0.997 494 T HN 0.469 nan 8.240 nan 0.000 0.443 495 Y N 3.154 123.492 120.300 0.063 0.000 2.385 495 Y HA 0.336 4.866 4.550 -0.034 0.000 0.341 495 Y C 0.064 176.024 175.900 0.100 0.000 0.965 495 Y CA -0.951 57.199 58.100 0.082 0.000 1.180 495 Y CB 0.593 39.128 38.460 0.124 0.000 1.139 495 Y HN 0.528 nan 8.280 nan 0.000 0.502 496 D N 4.988 125.229 120.400 -0.264 0.000 2.344 496 D HA 0.153 4.773 4.640 -0.034 0.000 0.253 496 D C 0.508 176.646 176.300 -0.271 0.000 1.255 496 D CA 0.325 54.276 54.000 -0.082 0.000 0.894 496 D CB 1.401 42.250 40.800 0.081 0.000 1.067 496 D HN 0.759 nan 8.370 nan 0.000 0.492 497 A N 3.260 126.106 122.820 0.044 0.000 2.169 497 A HA -0.019 4.281 4.320 -0.034 0.000 0.212 497 A C 1.956 179.557 177.584 0.028 0.000 1.153 497 A CA 0.682 52.809 52.037 0.151 0.000 0.756 497 A CB 0.019 19.154 19.000 0.226 0.000 0.813 497 A HN 0.582 nan 8.150 nan 0.000 0.471 498 T N 0.107 114.642 114.554 -0.031 0.000 2.770 498 T HA 0.059 4.389 4.350 -0.034 0.000 0.258 498 T C 2.291 176.901 174.700 -0.150 0.000 1.039 498 T CA 1.411 63.465 62.100 -0.076 0.000 1.143 498 T CB -0.332 68.483 68.868 -0.087 0.000 0.866 498 T HN 0.520 nan 8.240 nan 0.000 0.428 499 A N 0.742 123.423 122.820 -0.233 0.000 1.969 499 A HA 0.003 4.303 4.320 -0.034 0.000 0.218 499 A C 0.591 177.988 177.584 -0.312 0.000 1.169 499 A CA 0.784 52.632 52.037 -0.316 0.000 0.635 499 A CB -0.150 18.564 19.000 -0.477 0.000 0.810 499 A HN 0.499 nan 8.150 nan 0.000 0.445 500 E N -1.865 118.140 120.200 -0.324 0.000 2.326 500 E HA -0.126 4.204 4.350 -0.034 0.000 0.195 500 E C -0.302 176.027 176.600 -0.451 0.000 1.367 500 E CA 0.846 57.091 56.400 -0.259 0.000 0.666 500 E CB -2.212 27.463 29.700 -0.041 0.000 1.147 500 E HN 1.386 nan 8.360 nan 0.000 0.384 501 A N 1.410 123.680 122.820 -0.916 0.000 2.530 501 A HA 0.639 4.939 4.320 -0.034 0.000 0.297 501 A C -2.834 174.310 177.584 -0.733 0.000 1.059 501 A CA -1.080 50.500 52.037 -0.760 0.000 0.782 501 A CB 1.971 20.379 19.000 -0.987 0.000 1.301 501 A HN 0.012 nan 8.150 nan 0.000 0.394 502 P HA 0.677 nan 4.420 nan 0.000 0.284 502 P C -1.516 175.582 177.300 -0.336 0.000 1.258 502 P CA -0.117 62.717 63.100 -0.443 0.000 0.824 502 P CB 0.917 32.259 31.700 -0.597 0.000 1.038 503 Y N -0.749 119.404 120.300 -0.246 0.000 2.581 503 Y HA 0.628 5.156 4.550 -0.036 0.000 0.337 503 Y C -1.240 174.744 175.900 0.140 0.000 1.108 503 Y CA -1.661 56.505 58.100 0.110 0.000 1.033 503 Y CB 0.778 39.462 38.460 0.373 0.000 1.318 503 Y HN 0.315 nan 8.280 nan 0.000 0.459 504 V N 0.475 120.653 119.914 0.440 0.000 2.680 504 V HA 0.821 4.921 4.120 -0.034 0.000 0.309 504 V C -1.546 174.923 176.094 0.624 0.000 1.052 504 V CA -0.934 61.587 62.300 0.368 0.000 0.908 504 V CB 1.932 33.896 31.823 0.236 0.000 1.001 504 V HN 0.925 nan 8.190 nan 0.000 0.431 505 F N 2.970 123.161 119.950 0.402 0.000 2.561 505 F HA 0.659 5.160 4.527 -0.042 0.000 0.313 505 F C -0.449 175.322 175.800 -0.048 0.000 1.126 505 F CA -0.979 57.126 58.000 0.174 0.000 0.918 505 F CB 2.143 41.161 39.000 0.029 0.000 1.199 505 F HN 0.722 nan 8.300 nan 0.000 0.444 506 K N 8.382 128.114 120.400 -1.113 0.000 2.347 506 K HA 0.430 4.729 4.320 -0.034 0.000 0.262 506 K C -2.181 173.642 176.600 -1.294 0.000 1.052 506 K CA -1.995 53.527 56.287 -1.275 0.000 0.946 506 K CB 1.417 32.848 32.500 -1.782 0.000 1.220 506 K HN 0.270 nan 8.250 nan 0.000 0.450 507 P HA -0.173 nan 4.420 nan 0.000 0.220 507 P C 0.868 177.962 177.300 -0.343 0.000 1.148 507 P CA 1.086 63.817 63.100 -0.615 0.000 0.803 507 P CB 0.249 31.873 31.700 -0.125 0.000 0.782 508 S N -1.603 113.890 115.700 -0.345 0.000 2.446 508 S HA -0.050 4.399 4.470 -0.034 0.000 0.225 508 S C 1.729 176.201 174.600 -0.212 0.000 1.016 508 S CA 1.436 59.504 58.200 -0.221 0.000 0.943 508 S CB -1.615 61.465 63.200 -0.199 0.000 0.786 508 S HN 0.261 nan 8.310 nan 0.000 0.508 509 T N -2.977 111.394 114.554 -0.305 0.000 3.015 509 T HA 0.497 4.826 4.350 -0.034 0.000 0.250 509 T C 1.560 176.147 174.700 -0.188 0.000 1.057 509 T CA 0.506 62.471 62.100 -0.224 0.000 1.066 509 T CB -0.239 68.482 68.868 -0.244 0.000 0.959 509 T HN 1.223 nan 8.240 nan 0.000 0.488 510 G N 2.165 110.786 108.800 -0.299 0.000 2.182 510 G HA2 -0.171 3.769 3.960 -0.034 0.000 0.248 510 G HA3 -0.171 3.769 3.960 -0.034 0.000 0.248 510 G C -0.599 174.241 174.900 -0.100 0.000 1.042 510 G CA -0.158 44.847 45.100 -0.159 0.000 0.775 510 G HN 0.556 nan 8.290 nan 0.000 0.501 511 D N -0.102 120.118 120.400 -0.300 0.000 2.348 511 D HA 0.435 5.055 4.640 -0.034 0.000 0.253 511 D C 0.237 176.605 176.300 0.112 0.000 1.161 511 D CA 0.179 54.127 54.000 -0.086 0.000 0.876 511 D CB 1.859 42.563 40.800 -0.159 0.000 1.160 511 D HN 0.288 nan 8.370 nan 0.000 0.459 512 L N 4.002 125.427 121.223 0.338 0.000 2.381 512 L HA 0.512 4.832 4.340 -0.034 0.000 0.274 512 L C -1.307 175.810 176.870 0.412 0.000 0.988 512 L CA -0.459 54.652 54.840 0.450 0.000 0.824 512 L CB 1.357 43.594 42.059 0.296 0.000 1.263 512 L HN 0.272 nan 8.230 nan 0.000 0.410 513 I N 3.737 124.542 120.570 0.392 0.000 2.466 513 I HA 0.391 4.541 4.170 -0.034 0.000 0.289 513 I C -0.379 176.049 176.117 0.519 0.000 1.026 513 I CA -0.492 60.989 61.300 0.302 0.000 1.078 513 I CB 2.266 40.323 38.000 0.095 0.000 1.249 513 I HN 0.605 nan 8.210 nan 0.000 0.429 514 T N 6.521 121.363 114.554 0.480 0.000 2.797 514 T HA 0.786 5.116 4.350 -0.034 0.000 0.279 514 T C -0.824 174.151 174.700 0.458 0.000 0.991 514 T CA -0.290 62.132 62.100 0.536 0.000 0.979 514 T CB 0.550 69.754 68.868 0.559 0.000 0.943 514 T HN 0.424 nan 8.240 nan 0.000 0.444 515 F N 1.107 121.154 119.950 0.161 0.000 2.745 515 F HA 0.734 5.240 4.527 -0.035 0.000 0.316 515 F C -1.111 174.714 175.800 0.041 0.000 1.155 515 F CA -1.435 56.604 58.000 0.065 0.000 0.937 515 F CB 0.472 39.548 39.000 0.125 0.000 1.361 515 F HN 0.269 nan 8.300 nan 0.000 0.472 516 D N 1.003 121.432 120.400 0.049 0.000 2.193 516 D HA 0.391 5.011 4.640 -0.034 0.000 0.249 516 D C -0.977 175.364 176.300 0.067 0.000 1.034 516 D CA 0.284 54.252 54.000 -0.053 0.000 0.902 516 D CB 1.727 42.474 40.800 -0.089 0.000 1.182 516 D HN 0.717 nan 8.370 nan 0.000 0.436 517 D N -1.115 119.317 120.400 0.052 0.000 2.758 517 D HA 0.406 5.026 4.640 -0.034 0.000 0.279 517 D C 0.591 176.928 176.300 0.062 0.000 1.111 517 D CA -0.708 53.398 54.000 0.177 0.000 1.109 517 D CB 0.292 41.378 40.800 0.476 0.000 1.428 517 D HN 0.196 nan 8.370 nan 0.000 0.586 518 A N -0.262 122.608 122.820 0.083 0.000 1.940 518 A HA -0.189 4.111 4.320 -0.034 0.000 0.219 518 A C 2.166 179.754 177.584 0.008 0.000 1.176 518 A CA 2.108 54.158 52.037 0.022 0.000 0.631 518 A CB -0.780 18.245 19.000 0.041 0.000 0.814 518 A HN 0.581 nan 8.150 nan 0.000 0.446 519 R N 0.191 120.688 120.500 -0.005 0.000 2.092 519 R HA -0.117 4.203 4.340 -0.034 0.000 0.231 519 R C 2.438 178.755 176.300 0.030 0.000 1.119 519 R CA 1.856 57.897 56.100 -0.099 0.000 0.970 519 R CB -0.252 29.784 30.300 -0.441 0.000 0.864 519 R HN 0.661 nan 8.270 nan 0.000 0.440 520 S N -0.545 115.271 115.700 0.194 0.000 2.406 520 S HA -0.059 4.391 4.470 -0.034 0.000 0.228 520 S C 2.009 176.649 174.600 0.067 0.000 1.020 520 S CA 1.044 59.363 58.200 0.199 0.000 0.965 520 S CB -0.289 62.985 63.200 0.123 0.000 0.798 520 S HN 0.131 nan 8.310 nan 0.000 0.488 521 V N 2.463 122.393 119.914 0.026 0.000 2.343 521 V HA -0.214 3.886 4.120 -0.034 0.000 0.247 521 V C 2.973 179.075 176.094 0.012 0.000 1.051 521 V CA 2.201 64.500 62.300 -0.002 0.000 1.036 521 V CB -0.997 30.802 31.823 -0.041 0.000 0.654 521 V HN 0.636 nan 8.190 nan 0.000 0.451 522 Q N 0.165 119.970 119.800 0.008 0.000 2.096 522 Q HA -0.247 4.072 4.340 -0.034 0.000 0.204 522 Q C 2.248 178.270 176.000 0.037 0.000 0.982 522 Q CA 2.189 57.998 55.803 0.011 0.000 0.850 522 Q CB -0.325 28.409 28.738 -0.006 0.000 0.901 522 Q HN 0.611 nan 8.270 nan 0.000 0.422 523 A N 1.129 123.979 122.820 0.050 0.000 1.917 523 A HA -0.243 4.057 4.320 -0.034 0.000 0.219 523 A C 1.998 179.635 177.584 0.089 0.000 1.182 523 A CA 1.905 53.983 52.037 0.068 0.000 0.633 523 A CB -0.467 18.579 19.000 0.077 0.000 0.819 523 A HN 0.406 nan 8.150 nan 0.000 0.448 524 K N -0.958 119.490 120.400 0.079 0.000 2.097 524 K HA -0.076 4.224 4.320 -0.034 0.000 0.206 524 K C 2.156 178.860 176.600 0.173 0.000 1.049 524 K CA 1.001 57.367 56.287 0.132 0.000 0.933 524 K CB -0.420 32.130 32.500 0.084 0.000 0.717 524 K HN 0.479 nan 8.250 nan 0.000 0.442 525 G N 1.889 110.748 108.800 0.098 0.000 2.421 525 G HA2 -0.300 3.640 3.960 -0.034 0.000 0.216 525 G HA3 -0.300 3.640 3.960 -0.034 0.000 0.216 525 G C 1.415 176.361 174.900 0.076 0.000 1.171 525 G CA 0.852 45.995 45.100 0.072 0.000 0.775 525 G HN 0.238 nan 8.290 nan 0.000 0.543 526 K N -0.621 119.828 120.400 0.082 0.000 2.063 526 K HA -0.203 4.097 4.320 -0.034 0.000 0.208 526 K C 2.197 178.863 176.600 0.111 0.000 1.048 526 K CA 1.449 57.784 56.287 0.079 0.000 0.928 526 K CB -0.401 32.143 32.500 0.073 0.000 0.713 526 K HN 0.357 nan 8.250 nan 0.000 0.442 527 Y N 1.217 121.529 120.300 0.019 0.000 2.181 527 Y HA -0.219 4.311 4.550 -0.033 0.000 0.288 527 Y C 1.870 177.784 175.900 0.024 0.000 1.146 527 Y CA 1.439 59.551 58.100 0.020 0.000 1.164 527 Y CB -0.432 38.041 38.460 0.022 0.000 0.982 527 Y HN -0.143 nan 8.280 nan 0.000 0.515 528 V N 0.743 120.641 119.914 -0.027 0.000 2.287 528 V HA -0.356 3.744 4.120 -0.034 0.000 0.248 528 V C 2.542 178.571 176.094 -0.108 0.000 1.053 528 V CA 2.236 64.465 62.300 -0.119 0.000 1.027 528 V CB -0.823 31.008 31.823 0.013 0.000 0.646 528 V HN 0.478 nan 8.190 nan 0.000 0.447 529 L N -0.463 120.738 121.223 -0.038 0.000 2.046 529 L HA -0.185 4.135 4.340 -0.034 0.000 0.208 529 L C 2.404 179.247 176.870 -0.046 0.000 1.077 529 L CA 1.661 56.486 54.840 -0.026 0.000 0.747 529 L CB -0.857 41.204 42.059 0.002 0.000 0.896 529 L HN 0.330 nan 8.230 nan 0.000 0.432 530 D N 0.231 120.602 120.400 -0.048 0.000 2.123 530 D HA -0.148 4.472 4.640 -0.034 0.000 0.196 530 D C 1.890 178.134 176.300 -0.093 0.000 0.992 530 D CA 1.224 55.197 54.000 -0.046 0.000 0.833 530 D CB -0.024 40.774 40.800 -0.004 0.000 0.954 530 D HN 0.109 nan 8.370 nan 0.000 0.455 531 K N 0.412 120.692 120.400 -0.201 0.000 2.417 531 K HA 0.124 4.423 4.320 -0.034 0.000 0.196 531 K C 0.122 176.629 176.600 -0.156 0.000 1.023 531 K CA -0.044 56.112 56.287 -0.219 0.000 1.122 531 K CB 0.305 32.545 32.500 -0.432 0.000 0.850 531 K HN 0.244 nan 8.250 nan 0.000 0.521 532 Q N 0.565 120.297 119.800 -0.114 0.000 2.487 532 Q HA -0.184 4.136 4.340 -0.034 0.000 0.279 532 Q C -0.375 175.586 176.000 -0.065 0.000 1.228 532 Q CA 0.301 56.063 55.803 -0.067 0.000 0.873 532 Q CB -1.964 26.747 28.738 -0.045 0.000 1.260 532 Q HN 0.299 nan 8.270 nan 0.000 0.471 533 L N -1.823 119.345 121.223 -0.092 0.000 2.543 533 L HA 0.306 4.626 4.340 -0.034 0.000 0.231 533 L C 1.808 178.673 176.870 -0.009 0.000 1.194 533 L CA 0.498 55.302 54.840 -0.060 0.000 0.823 533 L CB 0.053 42.057 42.059 -0.092 0.000 1.374 533 L HN 0.270 nan 8.230 nan 0.000 0.507 534 G N -1.575 107.237 108.800 0.021 0.000 2.539 534 G HA2 0.427 4.367 3.960 -0.034 0.000 0.215 534 G HA3 0.427 4.367 3.960 -0.034 0.000 0.215 534 G C 0.472 175.405 174.900 0.055 0.000 1.141 534 G CA 0.714 45.844 45.100 0.050 0.000 0.806 534 G HN 0.932 nan 8.290 nan 0.000 0.533 535 G N -1.127 107.715 108.800 0.071 0.000 2.373 535 G HA2 0.311 4.251 3.960 -0.034 0.000 0.250 535 G HA3 0.311 4.251 3.960 -0.034 0.000 0.250 535 G C -1.817 173.170 174.900 0.144 0.000 1.304 535 G CA -0.830 44.323 45.100 0.088 0.000 0.948 535 G HN 0.396 nan 8.290 nan 0.000 0.474 536 L N 0.370 121.693 121.223 0.168 0.000 2.388 536 L HA 0.849 5.169 4.340 -0.034 0.000 0.264 536 L C -0.542 176.511 176.870 0.306 0.000 0.998 536 L CA -0.949 54.010 54.840 0.197 0.000 0.817 536 L CB 2.173 44.285 42.059 0.087 0.000 1.338 536 L HN 0.822 nan 8.230 nan 0.000 0.414 537 F N 0.045 120.104 119.950 0.182 0.000 2.650 537 F HA 0.923 5.430 4.527 -0.033 0.000 0.320 537 F C -0.650 175.279 175.800 0.215 0.000 1.091 537 F CA -0.900 57.198 58.000 0.163 0.000 0.962 537 F CB 1.773 40.847 39.000 0.123 0.000 1.363 537 F HN 0.402 nan 8.300 nan 0.000 0.482 538 S N 0.613 116.331 115.700 0.030 0.000 2.569 538 S HA 0.542 4.992 4.470 -0.034 0.000 0.280 538 S C -2.105 172.663 174.600 0.280 0.000 1.111 538 S CA -0.625 57.574 58.200 -0.002 0.000 0.887 538 S CB 2.042 65.239 63.200 -0.005 0.000 1.095 538 S HN 1.117 nan 8.310 nan 0.000 0.476 539 W N 3.130 124.437 121.300 0.011 0.000 2.600 539 W HA 0.506 5.146 4.660 -0.034 0.000 0.325 539 W C -1.276 175.276 176.519 0.055 0.000 1.034 539 W CA -0.492 56.868 57.345 0.024 0.000 1.226 539 W CB 1.688 31.047 29.460 -0.168 0.000 1.379 539 W HN 1.064 nan 8.180 nan 0.000 0.466 540 E N 4.228 124.213 120.200 -0.358 0.000 2.317 540 E HA 0.256 4.586 4.350 -0.034 0.000 0.270 540 E C 0.131 176.449 176.600 -0.470 0.000 0.885 540 E CA -0.840 55.076 56.400 -0.807 0.000 0.760 540 E CB 2.484 31.315 29.700 -1.448 0.000 1.227 540 E HN 0.244 nan 8.360 nan 0.000 0.434 541 I N 2.414 122.732 120.570 -0.421 0.000 2.264 541 I HA -0.278 3.872 4.170 -0.034 0.000 0.248 541 I C 1.796 177.515 176.117 -0.662 0.000 1.111 541 I CA 1.948 63.047 61.300 -0.335 0.000 1.382 541 I CB -0.518 37.405 38.000 -0.129 0.000 1.060 541 I HN 0.796 nan 8.210 nan 0.000 0.418 542 D N 0.320 120.092 120.400 -1.046 0.000 2.263 542 D HA -0.179 4.441 4.640 -0.034 0.000 0.208 542 D C 1.771 177.665 176.300 -0.676 0.000 0.971 542 D CA 1.220 54.279 54.000 -1.569 0.000 0.867 542 D CB -0.233 39.881 40.800 -1.144 0.000 0.929 542 D HN 0.454 nan 8.370 nan 0.000 0.492 543 A N 0.344 122.959 122.820 -0.342 0.000 2.178 543 A HA 0.007 4.307 4.320 -0.034 0.000 0.211 543 A C 0.829 178.437 177.584 0.041 0.000 1.157 543 A CA 0.092 52.094 52.037 -0.059 0.000 0.780 543 A CB -0.090 18.939 19.000 0.049 0.000 0.828 543 A HN 0.126 nan 8.150 nan 0.000 0.476 544 D N 0.092 120.487 120.400 -0.007 0.000 2.304 544 D HA 0.172 4.792 4.640 -0.034 0.000 0.247 544 D C 0.751 177.139 176.300 0.148 0.000 1.089 544 D CA -0.048 54.025 54.000 0.122 0.000 0.910 544 D CB 0.657 41.476 40.800 0.031 0.000 1.199 544 D HN 0.277 nan 8.370 nan 0.000 0.426 545 N N 1.908 120.750 118.700 0.237 0.000 2.280 545 N HA 0.172 4.892 4.740 -0.034 0.000 0.192 545 N C 1.141 176.743 175.510 0.154 0.000 1.109 545 N CA 0.542 53.689 53.050 0.163 0.000 0.855 545 N CB 0.899 39.455 38.487 0.116 0.000 0.974 545 N HN 0.549 nan 8.380 nan 0.000 0.482 546 G N 0.177 109.068 108.800 0.151 0.000 2.481 546 G HA2 -0.255 3.685 3.960 -0.034 0.000 0.200 546 G HA3 -0.255 3.685 3.960 -0.034 0.000 0.200 546 G C 0.624 175.588 174.900 0.106 0.000 1.012 546 G CA 0.222 45.395 45.100 0.121 0.000 0.676 546 G HN 0.255 nan 8.290 nan 0.000 0.488 547 D N 0.965 121.453 120.400 0.146 0.000 2.123 547 D HA -0.059 4.560 4.640 -0.034 0.000 0.196 547 D C 2.579 178.870 176.300 -0.015 0.000 0.992 547 D CA 1.233 55.302 54.000 0.114 0.000 0.833 547 D CB -0.036 40.917 40.800 0.255 0.000 0.954 547 D HN 0.394 nan 8.370 nan 0.000 0.455 548 I N 0.329 120.824 120.570 -0.125 0.000 2.193 548 I HA -0.160 3.990 4.170 -0.034 0.000 0.240 548 I C 2.415 178.471 176.117 -0.101 0.000 1.084 548 I CA 0.573 61.757 61.300 -0.192 0.000 1.365 548 I CB -1.097 36.727 38.000 -0.293 0.000 1.064 548 I HN 0.053 nan 8.210 nan 0.000 0.410 549 L N 1.486 122.673 121.223 -0.060 0.000 2.141 549 L HA -0.131 4.188 4.340 -0.034 0.000 0.209 549 L C 2.113 178.927 176.870 -0.092 0.000 1.094 549 L CA 1.651 56.459 54.840 -0.053 0.000 0.763 549 L CB -0.941 41.114 42.059 -0.007 0.000 0.908 549 L HN 0.182 nan 8.230 nan 0.000 0.437 550 N N -0.769 117.909 118.700 -0.036 0.000 2.036 550 N HA -0.215 4.505 4.740 -0.034 0.000 0.195 550 N C 2.085 177.482 175.510 -0.189 0.000 1.037 550 N CA 1.680 54.702 53.050 -0.047 0.000 0.855 550 N CB -0.645 37.915 38.487 0.122 0.000 1.033 550 N HN 0.403 nan 8.380 nan 0.000 0.423 551 S N 0.220 115.861 115.700 -0.098 0.000 2.383 551 S HA 0.015 4.464 4.470 -0.034 0.000 0.227 551 S C 1.975 176.500 174.600 -0.125 0.000 1.026 551 S CA 0.751 58.895 58.200 -0.093 0.000 0.981 551 S CB -0.085 63.085 63.200 -0.051 0.000 0.818 551 S HN 0.205 nan 8.310 nan 0.000 0.472 552 M N 1.438 120.962 119.600 -0.126 0.000 2.082 552 M HA -0.156 4.304 4.480 -0.034 0.000 0.258 552 M C 2.165 178.372 176.300 -0.155 0.000 1.069 552 M CA 1.639 56.877 55.300 -0.104 0.000 1.102 552 M CB -0.611 31.943 32.600 -0.076 0.000 1.336 552 M HN 0.364 nan 8.290 nan 0.000 0.404 553 N N 0.308 118.827 118.700 -0.302 0.000 2.058 553 N HA -0.123 4.597 4.740 -0.034 0.000 0.191 553 N C 1.747 177.011 175.510 -0.409 0.000 1.037 553 N CA 1.819 54.599 53.050 -0.450 0.000 0.848 553 N CB -0.223 37.713 38.487 -0.919 0.000 1.021 553 N HN 0.341 nan 8.380 nan 0.000 0.422 554 A N 1.108 123.656 122.820 -0.452 0.000 1.898 554 A HA -0.131 4.169 4.320 -0.034 0.000 0.216 554 A C 2.415 179.970 177.584 -0.048 0.000 1.181 554 A CA 2.047 54.004 52.037 -0.134 0.000 0.620 554 A CB -0.748 18.241 19.000 -0.020 0.000 0.819 554 A HN 0.475 nan 8.150 nan 0.000 0.442 555 S N -0.225 115.440 115.700 -0.060 0.000 2.423 555 S HA -0.002 4.448 4.470 -0.034 0.000 0.231 555 S C 1.564 176.163 174.600 -0.003 0.000 1.014 555 S CA 1.303 59.494 58.200 -0.016 0.000 0.965 555 S CB -0.529 62.664 63.200 -0.011 0.000 0.785 555 S HN 0.429 nan 8.310 nan 0.000 0.495 556 L N 0.776 121.989 121.223 -0.017 0.000 2.591 556 L HA 0.343 4.662 4.340 -0.034 0.000 0.228 556 L C 1.798 178.676 176.870 0.014 0.000 1.133 556 L CA 0.375 55.216 54.840 0.003 0.000 0.880 556 L CB -0.439 41.621 42.059 0.002 0.000 1.033 556 L HN 0.605 nan 8.230 nan 0.000 0.450 557 G N -0.302 108.508 108.800 0.017 0.000 2.141 557 G HA2 -0.236 3.704 3.960 -0.034 0.000 0.231 557 G HA3 -0.236 3.704 3.960 -0.034 0.000 0.231 557 G C -0.012 174.925 174.900 0.061 0.000 0.984 557 G CA -0.430 44.694 45.100 0.040 0.000 0.660 557 G HN 0.305 nan 8.290 nan 0.000 0.525 558 N N 1.091 119.830 118.700 0.066 0.000 2.492 558 N HA 0.408 5.128 4.740 -0.034 0.000 0.262 558 N C 0.475 176.122 175.510 0.228 0.000 1.202 558 N CA 0.369 53.495 53.050 0.127 0.000 0.926 558 N CB 1.061 39.619 38.487 0.118 0.000 1.078 558 N HN 0.260 nan 8.380 nan 0.000 0.454 559 S N 0.854 116.657 115.700 0.172 0.000 2.549 559 S HA 0.334 4.784 4.470 -0.034 0.000 0.279 559 S C 0.483 175.143 174.600 0.099 0.000 1.321 559 S CA -0.871 57.407 58.200 0.130 0.000 1.054 559 S CB 0.704 63.943 63.200 0.064 0.000 0.899 559 S HN 0.647 nan 8.310 nan 0.000 0.497 560 A N 2.681 125.481 122.820 -0.034 0.000 2.555 560 A HA 0.555 4.855 4.320 -0.034 0.000 0.233 560 A C 1.118 178.589 177.584 -0.187 0.000 1.060 560 A CA 0.607 52.449 52.037 -0.326 0.000 0.759 560 A CB -0.817 18.013 19.000 -0.283 0.000 0.995 560 A HN 1.629 nan 8.150 nan 0.000 0.506 561 G N -1.118 107.547 108.800 -0.226 0.000 2.352 561 G HA2 0.341 4.281 3.960 -0.034 0.000 0.324 561 G HA3 0.341 4.281 3.960 -0.034 0.000 0.324 561 G C -0.628 174.236 174.900 -0.059 0.000 1.249 561 G CA -0.109 44.924 45.100 -0.112 0.000 1.053 561 G HN 2.094 nan 8.290 nan 0.000 0.492 562 V N 0.150 120.048 119.914 -0.027 0.000 2.914 562 V HA 0.817 4.917 4.120 -0.034 0.000 0.314 562 V C 0.160 176.259 176.094 0.007 0.000 1.084 562 V CA -0.271 62.029 62.300 -0.000 0.000 0.963 562 V CB 1.807 33.629 31.823 -0.001 0.000 1.025 562 V HN 1.037 nan 8.190 nan 0.000 0.432 563 Q N 0.000 119.812 119.800 0.020 0.000 2.315 563 Q HA 0.000 4.320 4.340 -0.034 0.000 0.214 563 Q CA 0.000 55.812 55.803 0.015 0.000 1.022 563 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 563 Q HN 0.000 nan 8.270 nan 0.000 0.481