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 2xa7_1_A DATA FIRST_RESID 9 DATA SEQUENCE GMRGLAVFIS DIRNCKSKEA EIKRINKELA NIRSKFKGDK ALDGYSKKKY DATA SEQUENCE VCKLLFIFLL GHDIDFGHME AVNLLSSNRY TEKQIGYLFI SVLVNSNSEL DATA SEQUENCE IRLINNAIKN DLASRNPTFM GLALHCIANV GSREMAEAFA GEIPKILVAG DATA SEQUENCE DTMDSVKQSA ALCLLRLYRT SPDLVPMGDW TSRVVHLLND QHLGVVTAAT DATA SEQUENCE SLITTLAQKN PEEFKTSVSL AVSRLSRIVT SASTDLQDYT YYFVPAPWLS DATA SEQUENCE VKLLRLLQCY PPPEDPAVRG RLTECLETIL NKAQEPPKSK KVQHSNAKNA DATA SEQUENCE VLFEAISLII HHDSEPNLLV RACNQLGQFL QHRETNLRYL ALESMCTLAS DATA SEQUENCE SEFSHEAVKT HIETVINALK TERDVSVRQR AVDLLYAMCD RSNAQQIVAE DATA SEQUENCE MLSYLETADY SIREEIVLKV AILAEKYAVD YTWYVDTILN LIRIAGDYVS DATA SEQUENCE EEVWYRVIQI VINRDDVQGY AAKTVFEALQ APACHENLVK VGGYILGEFG DATA SEQUENCE NLIAGDPRSS PLIQFNLLHS KFHLCSVPTR ALLLSTYIKF VNLFPEVKAT DATA SEQUENCE IQDVLRSDSQ LKNADVELQQ RAVEYLRLST VASTDILATV LEEMPPFPER DATA SEQUENCE ESSILAKLKK KKG 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.949 3.960 -0.018 0.000 0.244 9 G C 0.000 174.906 174.900 0.010 0.000 0.946 9 G CA 0.000 45.109 45.100 0.016 0.000 0.502 10 M N -1.650 117.953 119.600 0.005 0.000 2.447 10 M HA 0.539 5.008 4.480 -0.018 0.000 0.292 10 M C 0.185 176.485 176.300 0.001 0.000 1.083 10 M CA -0.905 54.400 55.300 0.008 0.000 0.907 10 M CB 1.727 34.342 32.600 0.025 0.000 1.829 10 M HN 0.377 nan 8.290 nan 0.000 0.518 11 R N 1.626 122.129 120.500 0.005 0.000 2.057 11 R HA 0.091 4.420 4.340 -0.018 0.000 0.229 11 R C 1.870 178.171 176.300 0.002 0.000 1.136 11 R CA 2.115 58.217 56.100 0.004 0.000 0.952 11 R CB -0.872 29.434 30.300 0.010 0.000 0.848 11 R HN 1.111 nan 8.270 nan 0.000 0.430 12 G N 1.912 110.704 108.800 -0.013 0.000 2.514 12 G HA2 -0.283 3.666 3.960 -0.018 0.000 0.217 12 G HA3 -0.283 3.666 3.960 -0.018 0.000 0.217 12 G C 1.488 176.384 174.900 -0.007 0.000 1.198 12 G CA 0.704 45.788 45.100 -0.026 0.000 0.780 12 G HN 0.177 nan 8.290 nan 0.000 0.565 13 L N 1.455 122.641 121.223 -0.061 0.000 1.997 13 L HA -0.126 4.203 4.340 -0.018 0.000 0.216 13 L C 3.282 180.140 176.870 -0.019 0.000 1.074 13 L CA 2.425 57.215 54.840 -0.083 0.000 0.763 13 L CB -0.905 41.100 42.059 -0.090 0.000 0.890 13 L HN 0.309 nan 8.230 nan 0.000 0.434 14 A N -1.374 121.443 122.820 -0.006 0.000 1.873 14 A HA -0.215 4.093 4.320 -0.018 0.000 0.218 14 A C 2.259 179.855 177.584 0.021 0.000 1.193 14 A CA 2.451 54.492 52.037 0.007 0.000 0.629 14 A CB -1.242 17.762 19.000 0.007 0.000 0.826 14 A HN 0.304 nan 8.150 nan 0.000 0.447 15 V N -0.913 119.021 119.914 0.033 0.000 2.219 15 V HA -0.326 3.783 4.120 -0.018 0.000 0.248 15 V C 2.240 178.359 176.094 0.041 0.000 1.053 15 V CA 2.462 64.784 62.300 0.036 0.000 1.009 15 V CB -1.264 30.588 31.823 0.048 0.000 0.636 15 V HN 0.625 nan 8.190 nan 0.000 0.445 16 F N 0.531 120.432 119.950 -0.083 0.000 2.039 16 F HA -0.328 4.188 4.527 -0.018 0.000 0.296 16 F C 2.183 177.883 175.800 -0.167 0.000 1.119 16 F CA 2.527 60.459 58.000 -0.114 0.000 1.211 16 F CB -0.369 38.543 39.000 -0.148 0.000 0.956 16 F HN 0.053 nan 8.300 nan 0.000 0.496 17 I N -0.471 120.151 120.570 0.088 0.000 2.179 17 I HA -0.332 3.827 4.170 -0.018 0.000 0.242 17 I C 2.513 178.582 176.117 -0.079 0.000 1.088 17 I CA 1.385 62.634 61.300 -0.085 0.000 1.357 17 I CB -0.830 37.085 38.000 -0.142 0.000 1.051 17 I HN 0.160 nan 8.210 nan 0.000 0.409 18 S N 0.806 116.480 115.700 -0.044 0.000 2.389 18 S HA -0.284 4.175 4.470 -0.018 0.000 0.229 18 S C 1.627 176.187 174.600 -0.067 0.000 1.048 18 S CA 2.190 60.370 58.200 -0.035 0.000 1.117 18 S CB -0.525 62.662 63.200 -0.021 0.000 1.020 18 S HN 0.460 nan 8.310 nan 0.000 0.430 19 D N 0.903 121.237 120.400 -0.109 0.000 2.092 19 D HA -0.074 4.555 4.640 -0.018 0.000 0.193 19 D C 1.801 177.998 176.300 -0.171 0.000 0.994 19 D CA 0.884 54.801 54.000 -0.137 0.000 0.828 19 D CB -0.480 40.222 40.800 -0.163 0.000 0.963 19 D HN 0.248 nan 8.370 nan 0.000 0.450 20 I N 0.310 120.711 120.570 -0.282 0.000 2.335 20 I HA -0.179 3.980 4.170 -0.018 0.000 0.251 20 I C 2.335 178.410 176.117 -0.070 0.000 1.129 20 I CA 0.991 62.142 61.300 -0.248 0.000 1.402 20 I CB -0.240 37.519 38.000 -0.402 0.000 1.069 20 I HN -0.061 nan 8.210 nan 0.000 0.424 21 R N 0.738 121.218 120.500 -0.032 0.000 2.073 21 R HA -0.012 4.316 4.340 -0.018 0.000 0.229 21 R C 0.420 176.717 176.300 -0.006 0.000 1.120 21 R CA 0.806 56.915 56.100 0.015 0.000 0.967 21 R CB 0.006 30.328 30.300 0.037 0.000 0.862 21 R HN 0.303 nan 8.270 nan 0.000 0.436 22 N N 0.651 119.335 118.700 -0.027 0.000 2.971 22 N HA 0.061 4.790 4.740 -0.018 0.000 0.294 22 N C -1.024 174.467 175.510 -0.032 0.000 1.210 22 N CA 0.186 53.221 53.050 -0.025 0.000 1.157 22 N CB 0.087 38.558 38.487 -0.027 0.000 1.450 22 N HN 0.164 nan 8.380 nan 0.000 0.527 23 C N 0.097 119.384 119.300 -0.022 0.000 2.973 23 C HA 0.458 4.907 4.460 -0.018 0.000 0.329 23 C C 0.912 175.896 174.990 -0.011 0.000 1.327 23 C CA -0.769 58.235 59.018 -0.023 0.000 1.632 23 C CB 2.645 30.370 27.740 -0.025 0.000 2.098 23 C HN 0.393 nan 8.230 nan 0.000 0.469 24 K N 0.748 121.143 120.400 -0.009 0.000 2.772 24 K HA 0.327 4.636 4.320 -0.018 0.000 0.312 24 K C 0.653 177.255 176.600 0.003 0.000 0.981 24 K CA 0.093 56.379 56.287 -0.003 0.000 1.289 24 K CB -0.107 32.391 32.500 -0.004 0.000 1.516 24 K HN 0.898 nan 8.250 nan 0.000 0.674 25 S N 1.504 117.207 115.700 0.006 0.000 2.558 25 S HA -0.003 4.456 4.470 -0.018 0.000 0.287 25 S C 0.903 175.514 174.600 0.017 0.000 1.321 25 S CA -0.110 58.096 58.200 0.011 0.000 1.048 25 S CB 0.442 63.648 63.200 0.010 0.000 0.844 25 S HN 0.306 nan 8.310 nan 0.000 0.512 26 K N 1.412 121.827 120.400 0.025 0.000 2.374 26 K HA -0.174 4.135 4.320 -0.018 0.000 0.202 26 K C 1.689 178.321 176.600 0.052 0.000 1.044 26 K CA 1.245 57.558 56.287 0.043 0.000 0.933 26 K CB -0.412 32.116 32.500 0.048 0.000 0.745 26 K HN 0.691 nan 8.250 nan 0.000 0.474 27 E N 0.821 121.043 120.200 0.037 0.000 2.072 27 E HA -0.050 4.289 4.350 -0.018 0.000 0.191 27 E C 1.924 178.540 176.600 0.027 0.000 0.985 27 E CA 1.156 57.579 56.400 0.037 0.000 0.801 27 E CB -0.067 29.648 29.700 0.025 0.000 0.750 27 E HN 0.265 nan 8.360 nan 0.000 0.452 28 A N 0.963 123.792 122.820 0.013 0.000 1.933 28 A HA -0.206 4.103 4.320 -0.018 0.000 0.218 28 A C 2.143 179.721 177.584 -0.011 0.000 1.175 28 A CA 1.759 53.796 52.037 -0.001 0.000 0.628 28 A CB -0.545 18.451 19.000 -0.007 0.000 0.814 28 A HN 0.339 nan 8.150 nan 0.000 0.444 29 E N -0.153 120.044 120.200 -0.005 0.000 2.048 29 E HA -0.242 4.097 4.350 -0.018 0.000 0.202 29 E C 1.807 178.398 176.600 -0.015 0.000 1.021 29 E CA 1.844 58.236 56.400 -0.014 0.000 0.825 29 E CB -0.297 29.415 29.700 0.020 0.000 0.756 29 E HN 0.658 nan 8.360 nan 0.000 0.454 30 I N 0.666 121.258 120.570 0.037 0.000 2.208 30 I HA -0.322 3.837 4.170 -0.018 0.000 0.245 30 I C 2.451 178.588 176.117 0.034 0.000 1.097 30 I CA 1.336 62.678 61.300 0.070 0.000 1.363 30 I CB -0.210 37.876 38.000 0.144 0.000 1.051 30 I HN 0.095 nan 8.210 nan 0.000 0.413 31 K N 0.273 120.684 120.400 0.018 0.000 1.973 31 K HA -0.240 4.069 4.320 -0.018 0.000 0.212 31 K C 2.268 178.863 176.600 -0.008 0.000 1.047 31 K CA 1.602 57.893 56.287 0.007 0.000 0.937 31 K CB -0.305 32.195 32.500 -0.000 0.000 0.721 31 K HN 0.011 nan 8.250 nan 0.000 0.440 32 R N 1.548 122.030 120.500 -0.031 0.000 2.119 32 R HA -0.140 4.189 4.340 -0.018 0.000 0.246 32 R C 1.964 178.240 176.300 -0.040 0.000 1.146 32 R CA 1.487 57.551 56.100 -0.059 0.000 0.962 32 R CB -0.735 29.496 30.300 -0.115 0.000 0.863 32 R HN 0.230 nan 8.270 nan 0.000 0.442 33 I N 0.535 121.086 120.570 -0.033 0.000 2.076 33 I HA -0.349 3.810 4.170 -0.018 0.000 0.237 33 I C 1.882 178.038 176.117 0.065 0.000 1.059 33 I CA 1.829 63.142 61.300 0.022 0.000 1.317 33 I CB -0.425 37.523 38.000 -0.087 0.000 1.037 33 I HN 0.314 nan 8.210 nan 0.000 0.398 34 N N 0.767 119.495 118.700 0.046 0.000 2.272 34 N HA -0.186 4.543 4.740 -0.018 0.000 0.185 34 N C 1.713 177.240 175.510 0.029 0.000 1.014 34 N CA 1.159 54.242 53.050 0.055 0.000 0.870 34 N CB -0.170 38.349 38.487 0.053 0.000 0.975 34 N HN 0.427 nan 8.380 nan 0.000 0.433 35 K N 1.116 121.528 120.400 0.020 0.000 2.009 35 K HA -0.096 4.213 4.320 -0.018 0.000 0.210 35 K C 1.800 178.411 176.600 0.019 0.000 1.049 35 K CA 0.944 57.235 56.287 0.007 0.000 0.929 35 K CB 0.004 32.505 32.500 0.001 0.000 0.714 35 K HN 0.142 nan 8.250 nan 0.000 0.440 36 E N 0.816 121.058 120.200 0.071 0.000 2.204 36 E HA -0.131 4.208 4.350 -0.018 0.000 0.194 36 E C 2.096 178.731 176.600 0.059 0.000 0.989 36 E CA 0.784 57.252 56.400 0.115 0.000 0.824 36 E CB 0.003 29.897 29.700 0.324 0.000 0.756 36 E HN 0.295 nan 8.360 nan 0.000 0.477 37 L N 0.200 121.471 121.223 0.081 0.000 2.044 37 L HA -0.135 4.194 4.340 -0.018 0.000 0.205 37 L C 2.550 179.369 176.870 -0.086 0.000 1.075 37 L CA 1.168 56.073 54.840 0.109 0.000 0.747 37 L CB -0.401 41.770 42.059 0.186 0.000 0.903 37 L HN 0.052 nan 8.230 nan 0.000 0.435 38 A N -0.004 122.749 122.820 -0.111 0.000 1.902 38 A HA -0.276 4.033 4.320 -0.018 0.000 0.217 38 A C 2.002 179.475 177.584 -0.185 0.000 1.181 38 A CA 2.200 54.127 52.037 -0.183 0.000 0.623 38 A CB -0.916 18.015 19.000 -0.114 0.000 0.818 38 A HN 0.518 nan 8.150 nan 0.000 0.443 39 N N -0.631 117.988 118.700 -0.134 0.000 2.205 39 N HA -0.105 4.624 4.740 -0.018 0.000 0.186 39 N C 1.478 176.832 175.510 -0.260 0.000 1.015 39 N CA 1.502 54.460 53.050 -0.153 0.000 0.862 39 N CB -0.248 38.179 38.487 -0.099 0.000 0.986 39 N HN 0.527 nan 8.380 nan 0.000 0.429 40 I N -0.161 120.231 120.570 -0.296 0.000 2.480 40 I HA -0.097 4.062 4.170 -0.018 0.000 0.251 40 I C 2.475 178.305 176.117 -0.477 0.000 1.124 40 I CA 0.239 61.278 61.300 -0.436 0.000 1.444 40 I CB -0.099 37.674 38.000 -0.378 0.000 1.098 40 I HN 0.131 nan 8.210 nan 0.000 0.428 41 R N 0.028 120.238 120.500 -0.483 0.000 2.096 41 R HA -0.188 4.141 4.340 -0.018 0.000 0.240 41 R C 2.413 178.591 176.300 -0.203 0.000 1.139 41 R CA 1.778 57.571 56.100 -0.511 0.000 0.952 41 R CB -0.637 29.221 30.300 -0.736 0.000 0.854 41 R HN 0.228 nan 8.270 nan 0.000 0.436 42 S N -0.049 115.538 115.700 -0.188 0.000 2.446 42 S HA -0.039 4.420 4.470 -0.018 0.000 0.225 42 S C 1.661 176.223 174.600 -0.064 0.000 1.016 42 S CA 0.837 58.975 58.200 -0.102 0.000 0.943 42 S CB 0.147 63.285 63.200 -0.104 0.000 0.786 42 S HN 0.091 nan 8.310 nan 0.000 0.508 43 K N 0.495 120.830 120.400 -0.108 0.000 2.155 43 K HA 0.173 4.482 4.320 -0.018 0.000 0.203 43 K C 1.432 178.086 176.600 0.090 0.000 1.052 43 K CA 1.054 57.291 56.287 -0.083 0.000 0.948 43 K CB -0.343 31.968 32.500 -0.316 0.000 0.728 43 K HN 0.423 nan 8.250 nan 0.000 0.448 44 F N 1.196 121.063 119.950 -0.138 0.000 2.000 44 F HA -0.139 4.377 4.527 -0.018 0.000 0.295 44 F C 0.901 176.657 175.800 -0.075 0.000 1.159 44 F CA 0.467 58.413 58.000 -0.089 0.000 1.171 44 F CB 0.046 39.009 39.000 -0.063 0.000 0.971 44 F HN -0.267 nan 8.300 nan 0.000 0.479 45 K N 2.152 122.640 120.400 0.148 0.000 2.160 45 K HA 0.181 4.490 4.320 -0.018 0.000 0.263 45 K C 0.264 176.867 176.600 0.004 0.000 1.120 45 K CA 0.863 57.177 56.287 0.045 0.000 1.115 45 K CB -0.709 31.802 32.500 0.019 0.000 0.971 45 K HN 0.597 nan 8.250 nan 0.000 0.400 46 G N 2.269 111.061 108.800 -0.013 0.000 2.409 46 G HA2 -0.129 3.820 3.960 -0.018 0.000 0.421 46 G HA3 -0.129 3.820 3.960 -0.018 0.000 0.421 46 G C -1.098 173.787 174.900 -0.025 0.000 1.259 46 G CA -0.482 44.605 45.100 -0.021 0.000 1.011 46 G HN 0.548 nan 8.290 nan 0.000 0.497 47 D N -1.165 119.223 120.400 -0.020 0.000 5.134 47 D HA -0.143 4.486 4.640 -0.018 0.000 0.314 47 D C 0.563 176.850 176.300 -0.022 0.000 2.492 47 D CA 1.291 55.281 54.000 -0.017 0.000 1.177 47 D CB -0.093 40.701 40.800 -0.011 0.000 1.155 47 D HN 0.758 nan 8.370 nan 0.000 1.318 48 K N 0.616 121.007 120.400 -0.016 0.000 2.278 48 K HA 0.395 4.704 4.320 -0.018 0.000 0.237 48 K C -0.549 176.037 176.600 -0.023 0.000 1.229 48 K CA 0.002 56.278 56.287 -0.017 0.000 1.155 48 K CB -0.471 32.025 32.500 -0.007 0.000 1.590 48 K HN 0.398 nan 8.250 nan 0.000 0.290 49 A N 4.934 127.730 122.820 -0.039 0.000 2.500 49 A HA 0.077 4.386 4.320 -0.018 0.000 0.285 49 A C 0.529 178.080 177.584 -0.055 0.000 1.183 49 A CA -0.095 51.911 52.037 -0.052 0.000 0.851 49 A CB -0.158 18.788 19.000 -0.091 0.000 1.091 49 A HN 0.685 nan 8.150 nan 0.000 0.521 50 L N 1.469 122.661 121.223 -0.052 0.000 2.367 50 L HA 0.068 4.397 4.340 -0.018 0.000 0.215 50 L C 1.544 178.379 176.870 -0.059 0.000 1.197 50 L CA -0.221 54.587 54.840 -0.054 0.000 0.836 50 L CB 0.112 42.119 42.059 -0.086 0.000 1.242 50 L HN 0.904 nan 8.230 nan 0.000 0.553 51 D N -0.612 119.770 120.400 -0.030 0.000 2.525 51 D HA 0.031 4.660 4.640 -0.018 0.000 0.261 51 D C 1.330 177.624 176.300 -0.011 0.000 1.379 51 D CA 0.576 54.570 54.000 -0.011 0.000 1.074 51 D CB -1.043 39.772 40.800 0.025 0.000 0.939 51 D HN 0.500 nan 8.370 nan 0.000 0.272 52 G N 0.052 108.892 108.800 0.067 0.000 2.752 52 G HA2 -0.183 3.766 3.960 -0.018 0.000 0.209 52 G HA3 -0.183 3.766 3.960 -0.018 0.000 0.209 52 G C 1.657 176.600 174.900 0.073 0.000 1.392 52 G CA 1.297 46.449 45.100 0.086 0.000 0.873 52 G HN 0.578 nan 8.290 nan 0.000 0.586 53 Y N 0.917 121.183 120.300 -0.057 0.000 2.173 53 Y HA -0.204 4.335 4.550 -0.018 0.000 0.282 53 Y C 2.785 178.597 175.900 -0.147 0.000 1.192 53 Y CA 1.695 59.739 58.100 -0.093 0.000 1.176 53 Y CB -0.765 37.644 38.460 -0.084 0.000 0.969 53 Y HN 0.153 nan 8.280 nan 0.000 0.519 54 S N 1.115 116.428 115.700 -0.645 0.000 2.349 54 S HA -0.163 4.296 4.470 -0.018 0.000 0.216 54 S C 1.817 176.296 174.600 -0.203 0.000 1.033 54 S CA 1.503 59.390 58.200 -0.521 0.000 1.021 54 S CB -0.346 62.596 63.200 -0.429 0.000 0.968 54 S HN 0.448 nan 8.310 nan 0.000 0.426 55 K N 1.279 121.610 120.400 -0.114 0.000 2.009 55 K HA -0.118 4.191 4.320 -0.018 0.000 0.210 55 K C 2.333 178.896 176.600 -0.061 0.000 1.049 55 K CA 1.174 57.432 56.287 -0.049 0.000 0.929 55 K CB -0.261 32.195 32.500 -0.073 0.000 0.714 55 K HN 0.200 nan 8.250 nan 0.000 0.440 56 K N 1.549 121.902 120.400 -0.079 0.000 1.977 56 K HA -0.233 4.076 4.320 -0.018 0.000 0.218 56 K C 2.208 178.751 176.600 -0.095 0.000 1.051 56 K CA 1.819 58.064 56.287 -0.070 0.000 0.953 56 K CB -0.120 32.354 32.500 -0.042 0.000 0.727 56 K HN -0.015 nan 8.250 nan 0.000 0.445 57 K N -0.354 119.952 120.400 -0.156 0.000 2.032 57 K HA -0.252 4.057 4.320 -0.018 0.000 0.218 57 K C 2.215 178.666 176.600 -0.248 0.000 1.054 57 K CA 2.357 58.492 56.287 -0.253 0.000 0.941 57 K CB -0.319 31.927 32.500 -0.423 0.000 0.720 57 K HN 0.299 nan 8.250 nan 0.000 0.449 58 Y N -0.243 120.001 120.300 -0.092 0.000 2.163 58 Y HA -0.204 4.335 4.550 -0.018 0.000 0.288 58 Y C 2.361 178.183 175.900 -0.130 0.000 1.136 58 Y CA 0.610 58.650 58.100 -0.101 0.000 1.147 58 Y CB -0.149 38.287 38.460 -0.040 0.000 0.987 58 Y HN -0.120 nan 8.280 nan 0.000 0.509 59 V N -0.917 119.001 119.914 0.007 0.000 2.282 59 V HA -0.389 3.720 4.120 -0.018 0.000 0.249 59 V C 2.402 178.435 176.094 -0.102 0.000 1.057 59 V CA 1.721 63.917 62.300 -0.173 0.000 1.032 59 V CB -0.924 30.770 31.823 -0.215 0.000 0.645 59 V HN 0.592 nan 8.190 nan 0.000 0.447 60 C N -0.339 118.939 119.300 -0.037 0.000 2.401 60 C HA -0.233 4.216 4.460 -0.018 0.000 0.276 60 C C 2.787 177.777 174.990 -0.001 0.000 1.233 60 C CA 1.553 60.578 59.018 0.013 0.000 1.753 60 C CB -1.044 26.680 27.740 -0.027 0.000 2.029 60 C HN 0.554 nan 8.230 nan 0.000 0.478 61 K N 0.105 120.437 120.400 -0.114 0.000 2.097 61 K HA -0.067 4.242 4.320 -0.018 0.000 0.205 61 K C 1.823 178.378 176.600 -0.075 0.000 1.050 61 K CA 1.049 57.169 56.287 -0.279 0.000 0.938 61 K CB -0.209 32.034 32.500 -0.428 0.000 0.718 61 K HN 0.487 nan 8.250 nan 0.000 0.442 62 L N 0.367 121.594 121.223 0.006 0.000 2.027 62 L HA -0.198 4.131 4.340 -0.018 0.000 0.206 62 L C 2.286 179.387 176.870 0.384 0.000 1.074 62 L CA 0.603 55.515 54.840 0.120 0.000 0.745 62 L CB -0.383 41.640 42.059 -0.060 0.000 0.898 62 L HN 0.158 nan 8.230 nan 0.000 0.433 63 L N -0.414 121.115 121.223 0.510 0.000 1.990 63 L HA -0.306 4.023 4.340 -0.018 0.000 0.213 63 L C 2.399 179.458 176.870 0.315 0.000 1.072 63 L CA 1.958 57.049 54.840 0.418 0.000 0.755 63 L CB -0.693 41.598 42.059 0.387 0.000 0.889 63 L HN 0.133 nan 8.230 nan 0.000 0.432 64 F N -0.356 119.663 119.950 0.115 0.000 2.091 64 F HA -0.285 4.231 4.527 -0.018 0.000 0.299 64 F C 2.233 178.110 175.800 0.127 0.000 1.103 64 F CA 1.982 60.033 58.000 0.085 0.000 1.228 64 F CB -0.201 38.793 39.000 -0.010 0.000 0.984 64 F HN 0.091 nan 8.300 nan 0.000 0.477 65 I N -0.703 120.088 120.570 0.368 0.000 2.163 65 I HA -0.316 3.843 4.170 -0.018 0.000 0.243 65 I C 2.310 178.527 176.117 0.168 0.000 1.085 65 I CA 1.610 63.070 61.300 0.267 0.000 1.347 65 I CB -0.709 37.445 38.000 0.256 0.000 1.044 65 I HN 0.220 nan 8.210 nan 0.000 0.408 66 F N 1.750 121.742 119.950 0.070 0.000 2.063 66 F HA -0.251 4.265 4.527 -0.018 0.000 0.298 66 F C 2.005 177.787 175.800 -0.031 0.000 1.109 66 F CA 1.801 59.816 58.000 0.025 0.000 1.212 66 F CB -0.280 38.706 39.000 -0.025 0.000 0.973 66 F HN -0.109 nan 8.300 nan 0.000 0.480 67 L N 0.278 121.516 121.223 0.025 0.000 2.650 67 L HA -0.048 4.281 4.340 -0.018 0.000 0.235 67 L C 1.947 178.652 176.870 -0.275 0.000 1.149 67 L CA 0.080 54.837 54.840 -0.138 0.000 0.887 67 L CB -0.497 41.539 42.059 -0.037 0.000 1.021 67 L HN 0.361 nan 8.230 nan 0.000 0.441 68 L N -0.284 120.782 121.223 -0.262 0.000 2.307 68 L HA 0.137 4.466 4.340 -0.018 0.000 0.211 68 L C 1.274 178.111 176.870 -0.054 0.000 1.099 68 L CA 1.001 55.713 54.840 -0.213 0.000 0.816 68 L CB 0.225 42.207 42.059 -0.128 0.000 0.952 68 L HN 0.417 nan 8.230 nan 0.000 0.455 69 G N -1.639 107.123 108.800 -0.063 0.000 2.174 69 G HA2 -0.146 3.803 3.960 -0.018 0.000 0.140 69 G HA3 -0.146 3.803 3.960 -0.018 0.000 0.140 69 G C -0.394 174.426 174.900 -0.134 0.000 1.031 69 G CA -0.445 44.588 45.100 -0.112 0.000 0.728 69 G HN 0.400 nan 8.290 nan 0.000 0.496 70 H N -0.331 118.642 119.070 -0.163 0.000 2.713 70 H HA 0.763 5.308 4.556 -0.018 0.000 0.340 70 H C -0.631 174.640 175.328 -0.095 0.000 1.271 70 H CA -0.393 55.609 56.048 -0.075 0.000 1.306 70 H CB 1.694 31.470 29.762 0.024 0.000 1.839 70 H HN 0.159 nan 8.280 nan 0.000 0.627 71 D N -0.373 120.120 120.400 0.155 0.000 2.350 71 D HA 0.378 5.007 4.640 -0.018 0.000 0.238 71 D C -1.069 175.390 176.300 0.264 0.000 0.989 71 D CA -0.494 53.625 54.000 0.198 0.000 0.921 71 D CB 1.144 42.022 40.800 0.130 0.000 1.297 71 D HN 0.183 nan 8.370 nan 0.000 0.490 72 I N 2.655 123.409 120.570 0.307 0.000 2.418 72 I HA 0.209 4.368 4.170 -0.018 0.000 0.287 72 I C 0.255 176.500 176.117 0.213 0.000 1.008 72 I CA -0.554 60.841 61.300 0.158 0.000 1.104 72 I CB 1.630 39.732 38.000 0.171 0.000 1.264 72 I HN 0.563 nan 8.210 nan 0.000 0.438 73 D N 4.692 125.186 120.400 0.158 0.000 2.454 73 D HA 0.030 4.659 4.640 -0.018 0.000 0.214 73 D C 0.229 176.744 176.300 0.359 0.000 1.088 73 D CA 0.315 54.491 54.000 0.293 0.000 0.855 73 D CB 0.507 41.485 40.800 0.298 0.000 1.025 73 D HN 0.326 nan 8.370 nan 0.000 0.502 74 F N -0.723 119.225 119.950 -0.005 0.000 2.631 74 F HA 0.668 5.184 4.527 -0.018 0.000 0.328 74 F C 0.808 176.257 175.800 -0.585 0.000 1.067 74 F CA -1.177 56.718 58.000 -0.175 0.000 0.969 74 F CB 0.802 39.746 39.000 -0.094 0.000 1.332 74 F HN -0.113 nan 8.300 nan 0.000 0.490 75 G N 1.659 110.500 108.800 0.069 0.000 2.101 75 G HA2 -0.269 3.680 3.960 -0.018 0.000 0.247 75 G HA3 -0.269 3.680 3.960 -0.018 0.000 0.247 75 G C -0.368 174.481 174.900 -0.084 0.000 0.740 75 G CA 1.046 46.288 45.100 0.236 0.000 1.130 75 G HN 1.079 nan 8.290 nan 0.000 0.342 76 H N 0.495 119.647 119.070 0.137 0.000 2.874 76 H HA 0.325 4.870 4.556 -0.018 0.000 0.264 76 H C 2.438 177.779 175.328 0.021 0.000 1.007 76 H CA 0.437 56.533 56.048 0.080 0.000 1.207 76 H CB 0.192 30.044 29.762 0.150 0.000 1.487 76 H HN 0.482 nan 8.280 nan 0.000 0.505 77 M N 0.486 120.153 119.600 0.112 0.000 2.123 77 M HA -0.070 4.399 4.480 -0.018 0.000 0.263 77 M C 0.875 177.124 176.300 -0.086 0.000 1.069 77 M CA 1.362 56.670 55.300 0.013 0.000 1.133 77 M CB 0.031 32.638 32.600 0.012 0.000 1.356 77 M HN 0.219 nan 8.290 nan 0.000 0.415 78 E N 0.139 120.242 120.200 -0.160 0.000 2.413 78 E HA -0.046 4.293 4.350 -0.018 0.000 0.204 78 E C 0.637 177.026 176.600 -0.352 0.000 1.275 78 E CA 0.111 56.262 56.400 -0.416 0.000 1.090 78 E CB -0.110 29.076 29.700 -0.856 0.000 1.145 78 E HN 0.455 nan 8.360 nan 0.000 0.472 79 A N -1.084 121.629 122.820 -0.179 0.000 1.792 79 A HA 0.039 4.348 4.320 -0.018 0.000 0.189 79 A C 1.636 179.148 177.584 -0.120 0.000 1.926 79 A CA -0.292 51.642 52.037 -0.171 0.000 1.493 79 A CB 0.183 19.019 19.000 -0.273 0.000 1.554 79 A HN 0.152 nan 8.150 nan 0.000 0.340 80 V N 2.138 122.010 119.914 -0.071 0.000 2.568 80 V HA -0.284 3.825 4.120 -0.018 0.000 0.253 80 V C 2.183 178.208 176.094 -0.115 0.000 1.072 80 V CA 2.158 64.411 62.300 -0.079 0.000 1.084 80 V CB -1.091 30.704 31.823 -0.046 0.000 0.676 80 V HN 0.596 nan 8.190 nan 0.000 0.469 81 N N 0.690 119.318 118.700 -0.121 0.000 2.106 81 N HA -0.290 4.439 4.740 -0.018 0.000 0.168 81 N C 1.448 176.882 175.510 -0.126 0.000 0.802 81 N CA 2.238 55.211 53.050 -0.128 0.000 0.873 81 N CB -1.007 37.390 38.487 -0.150 0.000 0.986 81 N HN 0.388 nan 8.380 nan 0.000 1.000 82 L N 0.681 121.826 121.223 -0.130 0.000 2.349 82 L HA -0.102 4.227 4.340 -0.018 0.000 0.220 82 L C 2.166 178.952 176.870 -0.141 0.000 1.130 82 L CA 0.672 55.439 54.840 -0.122 0.000 0.791 82 L CB -0.582 41.410 42.059 -0.111 0.000 0.918 82 L HN 0.196 nan 8.230 nan 0.000 0.444 83 L N -1.253 119.857 121.223 -0.188 0.000 1.921 83 L HA -0.168 4.161 4.340 -0.018 0.000 0.219 83 L C 1.278 178.032 176.870 -0.193 0.000 1.081 83 L CA 0.939 55.615 54.840 -0.274 0.000 0.771 83 L CB -0.650 41.180 42.059 -0.382 0.000 0.888 83 L HN 0.077 nan 8.230 nan 0.000 0.433 84 S N 0.136 115.739 115.700 -0.163 0.000 2.506 84 S HA 0.218 4.677 4.470 -0.018 0.000 0.291 84 S C -0.047 174.472 174.600 -0.135 0.000 1.230 84 S CA -0.031 58.084 58.200 -0.143 0.000 1.107 84 S CB 0.502 63.637 63.200 -0.109 0.000 0.942 84 S HN 0.353 nan 8.310 nan 0.000 0.502 85 S N 1.798 117.400 115.700 -0.163 0.000 2.596 85 S HA 0.412 4.871 4.470 -0.018 0.000 0.270 85 S C 0.501 175.037 174.600 -0.106 0.000 1.155 85 S CA -0.815 57.316 58.200 -0.115 0.000 0.827 85 S CB 0.923 64.070 63.200 -0.089 0.000 1.130 85 S HN 0.552 nan 8.310 nan 0.000 0.467 86 N N 0.998 119.675 118.700 -0.038 0.000 2.207 86 N HA 0.121 4.850 4.740 -0.018 0.000 0.182 86 N C 0.218 175.760 175.510 0.052 0.000 1.020 86 N CA 0.880 53.934 53.050 0.007 0.000 0.858 86 N CB -0.160 38.336 38.487 0.015 0.000 0.991 86 N HN 0.466 nan 8.380 nan 0.000 0.427 87 R N 0.130 120.657 120.500 0.046 0.000 2.459 87 R HA 0.083 4.412 4.340 -0.018 0.000 0.281 87 R C 0.813 177.191 176.300 0.131 0.000 1.050 87 R CA -0.486 55.669 56.100 0.091 0.000 1.055 87 R CB 0.792 31.127 30.300 0.058 0.000 1.045 87 R HN 0.154 nan 8.270 nan 0.000 0.495 88 Y N 2.358 122.708 120.300 0.083 0.000 2.070 88 Y HA -0.274 4.265 4.550 -0.018 0.000 0.279 88 Y C 2.354 178.298 175.900 0.073 0.000 1.134 88 Y CA 2.453 60.613 58.100 0.100 0.000 1.113 88 Y CB -0.605 37.910 38.460 0.091 0.000 0.981 88 Y HN 0.749 nan 8.280 nan 0.000 0.487 89 T N -1.752 112.695 114.554 -0.179 0.000 2.849 89 T HA -0.220 4.119 4.350 -0.018 0.000 0.270 89 T C 1.539 176.104 174.700 -0.224 0.000 1.066 89 T CA 1.813 63.718 62.100 -0.324 0.000 1.130 89 T CB -0.554 68.289 68.868 -0.042 0.000 0.864 89 T HN 0.611 nan 8.240 nan 0.000 0.481 90 E N 1.160 121.287 120.200 -0.122 0.000 2.072 90 E HA -0.052 4.287 4.350 -0.018 0.000 0.190 90 E C 2.435 178.974 176.600 -0.101 0.000 0.982 90 E CA 0.946 57.290 56.400 -0.093 0.000 0.803 90 E CB -0.057 29.607 29.700 -0.060 0.000 0.755 90 E HN 0.578 nan 8.360 nan 0.000 0.453 91 K N 0.863 121.208 120.400 -0.091 0.000 1.991 91 K HA -0.226 4.083 4.320 -0.018 0.000 0.212 91 K C 2.360 178.996 176.600 0.061 0.000 1.049 91 K CA 1.356 57.642 56.287 -0.001 0.000 0.932 91 K CB -0.204 32.339 32.500 0.072 0.000 0.717 91 K HN 0.058 nan 8.250 nan 0.000 0.441 92 Q N 1.030 120.725 119.800 -0.176 0.000 2.077 92 Q HA -0.211 4.118 4.340 -0.018 0.000 0.206 92 Q C 2.199 178.168 176.000 -0.051 0.000 0.989 92 Q CA 1.647 57.333 55.803 -0.195 0.000 0.853 92 Q CB -0.157 28.186 28.738 -0.658 0.000 0.907 92 Q HN 0.229 nan 8.270 nan 0.000 0.418 93 I N 0.333 120.847 120.570 -0.092 0.000 2.226 93 I HA -0.200 3.959 4.170 -0.018 0.000 0.245 93 I C 2.320 178.457 176.117 0.033 0.000 1.100 93 I CA 1.658 62.947 61.300 -0.019 0.000 1.374 93 I CB -0.833 37.142 38.000 -0.043 0.000 1.057 93 I HN 0.294 nan 8.210 nan 0.000 0.413 94 G N -1.078 107.715 108.800 -0.012 0.000 2.433 94 G HA2 -0.284 3.665 3.960 -0.018 0.000 0.216 94 G HA3 -0.284 3.665 3.960 -0.018 0.000 0.216 94 G C 1.713 176.608 174.900 -0.009 0.000 1.186 94 G CA 0.718 45.793 45.100 -0.041 0.000 0.779 94 G HN 0.346 nan 8.290 nan 0.000 0.543 95 Y N -0.009 120.288 120.300 -0.005 0.000 2.139 95 Y HA -0.165 4.374 4.550 -0.018 0.000 0.282 95 Y C 2.723 178.635 175.900 0.020 0.000 1.179 95 Y CA 1.090 59.192 58.100 0.004 0.000 1.161 95 Y CB -0.291 38.163 38.460 -0.009 0.000 0.970 95 Y HN 0.188 nan 8.280 nan 0.000 0.511 96 L N -1.186 120.148 121.223 0.184 0.000 1.976 96 L HA -0.248 4.081 4.340 -0.018 0.000 0.209 96 L C 2.215 179.141 176.870 0.093 0.000 1.071 96 L CA 1.684 56.596 54.840 0.120 0.000 0.746 96 L CB -0.820 41.300 42.059 0.101 0.000 0.890 96 L HN 0.214 nan 8.230 nan 0.000 0.432 97 F N 0.144 120.082 119.950 -0.020 0.000 2.161 97 F HA -0.279 4.237 4.527 -0.018 0.000 0.300 97 F C 2.198 177.946 175.800 -0.088 0.000 1.089 97 F CA 2.050 60.012 58.000 -0.063 0.000 1.282 97 F CB -0.208 38.759 39.000 -0.055 0.000 1.010 97 F HN 0.275 nan 8.300 nan 0.000 0.485 98 I N -2.514 118.114 120.570 0.097 0.000 2.439 98 I HA -0.104 4.055 4.170 -0.018 0.000 0.251 98 I C 2.194 178.280 176.117 -0.052 0.000 1.139 98 I CA 1.568 62.872 61.300 0.006 0.000 1.438 98 I CB -1.259 36.751 38.000 0.016 0.000 1.085 98 I HN -0.105 nan 8.210 nan 0.000 0.427 99 S N 0.987 116.683 115.700 -0.007 0.000 2.387 99 S HA -0.020 4.439 4.470 -0.018 0.000 0.226 99 S C 2.019 176.567 174.600 -0.086 0.000 1.026 99 S CA 1.428 59.619 58.200 -0.015 0.000 0.972 99 S CB -0.377 62.846 63.200 0.038 0.000 0.814 99 S HN 0.383 nan 8.310 nan 0.000 0.477 100 V N 0.835 120.660 119.914 -0.148 0.000 2.809 100 V HA 0.075 4.184 4.120 -0.018 0.000 0.256 100 V C 0.136 175.999 176.094 -0.384 0.000 1.080 100 V CA 1.031 63.201 62.300 -0.216 0.000 1.102 100 V CB -0.529 31.161 31.823 -0.221 0.000 0.705 100 V HN 0.242 nan 8.190 nan 0.000 0.475 101 L N -0.720 120.201 121.223 -0.503 0.000 2.470 101 L HA 0.611 4.940 4.340 -0.018 0.000 0.268 101 L C -1.103 175.557 176.870 -0.349 0.000 0.964 101 L CA -0.030 54.462 54.840 -0.580 0.000 0.839 101 L CB 2.302 43.732 42.059 -1.048 0.000 1.276 101 L HN -0.232 nan 8.230 nan 0.000 0.403 102 V N 2.947 122.716 119.914 -0.243 0.000 2.569 102 V HA 0.533 4.642 4.120 -0.018 0.000 0.301 102 V C -0.471 175.528 176.094 -0.159 0.000 1.044 102 V CA -0.853 61.343 62.300 -0.173 0.000 0.874 102 V CB 1.574 33.337 31.823 -0.099 0.000 1.002 102 V HN 0.871 nan 8.190 nan 0.000 0.424 103 N N 1.814 120.402 118.700 -0.188 0.000 2.643 103 N HA 0.247 4.976 4.740 -0.018 0.000 0.305 103 N C 0.349 175.809 175.510 -0.083 0.000 1.283 103 N CA -0.641 52.317 53.050 -0.153 0.000 0.946 103 N CB 1.469 39.812 38.487 -0.241 0.000 1.149 103 N HN 0.473 nan 8.380 nan 0.000 0.600 104 S N 0.363 116.032 115.700 -0.052 0.000 3.829 104 S HA 0.067 4.526 4.470 -0.018 0.000 0.250 104 S C -0.547 174.045 174.600 -0.014 0.000 1.263 104 S CA -0.477 57.709 58.200 -0.023 0.000 0.955 104 S CB -1.904 61.292 63.200 -0.005 0.000 1.611 104 S HN 0.539 nan 8.310 nan 0.000 0.483 105 N N 0.427 119.115 118.700 -0.019 0.000 2.598 105 N HA 0.297 5.026 4.740 -0.018 0.000 0.263 105 N C 0.042 175.548 175.510 -0.007 0.000 1.254 105 N CA -0.192 52.854 53.050 -0.006 0.000 0.863 105 N CB 2.014 40.501 38.487 -0.000 0.000 1.586 105 N HN 0.377 nan 8.380 nan 0.000 0.491 106 S N 0.737 116.437 115.700 0.000 0.000 2.665 106 S HA 0.037 4.496 4.470 -0.018 0.000 0.240 106 S C 1.334 175.935 174.600 0.003 0.000 1.081 106 S CA 0.182 58.382 58.200 0.000 0.000 0.887 106 S CB 0.346 63.546 63.200 -0.000 0.000 0.805 106 S HN 0.591 nan 8.310 nan 0.000 0.486 107 E N 2.594 122.797 120.200 0.005 0.000 2.033 107 E HA -0.142 4.197 4.350 -0.018 0.000 0.199 107 E C 1.792 178.396 176.600 0.005 0.000 1.011 107 E CA 1.681 58.084 56.400 0.005 0.000 0.815 107 E CB -0.966 28.739 29.700 0.008 0.000 0.755 107 E HN 0.487 nan 8.360 nan 0.000 0.451 108 L N -0.312 120.916 121.223 0.009 0.000 1.997 108 L HA -0.316 4.013 4.340 -0.018 0.000 0.227 108 L C 2.563 179.434 176.870 0.002 0.000 1.087 108 L CA 1.851 56.695 54.840 0.007 0.000 0.797 108 L CB -0.633 41.432 42.059 0.009 0.000 0.902 108 L HN 0.291 nan 8.230 nan 0.000 0.441 109 I N -0.734 119.837 120.570 0.002 0.000 2.113 109 I HA -0.366 3.792 4.170 -0.018 0.000 0.242 109 I C 2.719 178.846 176.117 0.017 0.000 1.064 109 I CA 1.703 63.007 61.300 0.008 0.000 1.320 109 I CB -0.439 37.564 38.000 0.005 0.000 1.028 109 I HN 0.152 nan 8.210 nan 0.000 0.406 110 R N -0.365 120.142 120.500 0.012 0.000 2.115 110 R HA -0.058 4.271 4.340 -0.018 0.000 0.230 110 R C 2.292 178.600 176.300 0.014 0.000 1.111 110 R CA 1.012 57.121 56.100 0.014 0.000 0.976 110 R CB -0.250 30.053 30.300 0.006 0.000 0.870 110 R HN 0.360 nan 8.270 nan 0.000 0.445 111 L N 0.314 121.539 121.223 0.003 0.000 2.056 111 L HA -0.186 4.143 4.340 -0.018 0.000 0.207 111 L C 2.279 179.142 176.870 -0.013 0.000 1.078 111 L CA 1.231 56.067 54.840 -0.007 0.000 0.749 111 L CB -0.388 41.661 42.059 -0.016 0.000 0.901 111 L HN 0.184 nan 8.230 nan 0.000 0.433 112 I N 0.140 120.704 120.570 -0.011 0.000 2.163 112 I HA -0.347 3.812 4.170 -0.018 0.000 0.243 112 I C 2.041 178.173 176.117 0.025 0.000 1.085 112 I CA 1.869 63.158 61.300 -0.019 0.000 1.347 112 I CB -0.568 37.425 38.000 -0.010 0.000 1.044 112 I HN 0.326 nan 8.210 nan 0.000 0.408 113 N N 0.736 119.479 118.700 0.071 0.000 2.069 113 N HA -0.200 4.529 4.740 -0.018 0.000 0.191 113 N C 1.663 177.255 175.510 0.136 0.000 1.031 113 N CA 1.359 54.499 53.050 0.150 0.000 0.852 113 N CB -0.202 38.380 38.487 0.158 0.000 1.018 113 N HN 0.268 nan 8.380 nan 0.000 0.423 114 N N 0.947 119.690 118.700 0.072 0.000 2.021 114 N HA -0.193 4.536 4.740 -0.018 0.000 0.198 114 N C 1.632 177.163 175.510 0.035 0.000 1.041 114 N CA 1.584 54.663 53.050 0.049 0.000 0.862 114 N CB -0.692 37.805 38.487 0.017 0.000 1.048 114 N HN 0.285 nan 8.380 nan 0.000 0.427 115 A N 0.724 123.544 122.820 -0.000 0.000 1.940 115 A HA -0.131 4.178 4.320 -0.018 0.000 0.219 115 A C 2.384 179.972 177.584 0.008 0.000 1.176 115 A CA 1.160 53.175 52.037 -0.036 0.000 0.631 115 A CB -0.730 18.201 19.000 -0.115 0.000 0.814 115 A HN 0.304 nan 8.150 nan 0.000 0.446 116 I N -0.881 119.719 120.570 0.049 0.000 2.113 116 I HA -0.270 3.889 4.170 -0.018 0.000 0.238 116 I C 2.622 178.761 176.117 0.037 0.000 1.070 116 I CA 2.039 63.381 61.300 0.071 0.000 1.332 116 I CB -0.276 37.752 38.000 0.047 0.000 1.044 116 I HN 0.362 nan 8.210 nan 0.000 0.402 117 K N 0.719 121.184 120.400 0.108 0.000 2.062 117 K HA -0.146 4.163 4.320 -0.018 0.000 0.205 117 K C 1.859 178.505 176.600 0.076 0.000 1.051 117 K CA 1.340 57.703 56.287 0.126 0.000 0.941 117 K CB 0.008 32.658 32.500 0.250 0.000 0.719 117 K HN 0.166 nan 8.250 nan 0.000 0.440 118 N N 1.253 119.987 118.700 0.058 0.000 2.364 118 N HA -0.157 4.572 4.740 -0.018 0.000 0.183 118 N C 1.109 176.622 175.510 0.006 0.000 1.022 118 N CA 1.404 54.470 53.050 0.028 0.000 0.883 118 N CB -0.119 38.374 38.487 0.010 0.000 0.965 118 N HN 0.408 nan 8.380 nan 0.000 0.438 119 D N -0.389 120.018 120.400 0.011 0.000 2.216 119 D HA 0.060 4.689 4.640 -0.018 0.000 0.208 119 D C 1.949 178.282 176.300 0.056 0.000 0.960 119 D CA 0.312 54.309 54.000 -0.005 0.000 0.861 119 D CB 0.073 40.897 40.800 0.040 0.000 0.985 119 D HN 0.068 nan 8.370 nan 0.000 0.493 120 L N 0.570 121.823 121.223 0.049 0.000 2.017 120 L HA 0.007 4.336 4.340 -0.018 0.000 0.208 120 L C 1.757 178.663 176.870 0.060 0.000 1.073 120 L CA 0.986 55.848 54.840 0.036 0.000 0.745 120 L CB -0.501 41.534 42.059 -0.041 0.000 0.894 120 L HN 0.091 nan 8.230 nan 0.000 0.432 121 A N -0.078 122.779 122.820 0.061 0.000 2.558 121 A HA 0.111 4.420 4.320 -0.018 0.000 0.235 121 A C 1.033 178.664 177.584 0.078 0.000 1.677 121 A CA 0.620 52.695 52.037 0.063 0.000 1.531 121 A CB -0.918 18.119 19.000 0.060 0.000 0.841 121 A HN 0.493 nan 8.150 nan 0.000 0.631 122 S N 0.092 115.855 115.700 0.105 0.000 2.496 122 S HA 0.630 5.089 4.470 -0.018 0.000 0.260 122 S C 0.629 175.277 174.600 0.080 0.000 1.122 122 S CA -0.045 58.242 58.200 0.146 0.000 1.019 122 S CB 0.390 63.787 63.200 0.329 0.000 1.226 122 S HN 0.729 nan 8.310 nan 0.000 0.502 123 R N 0.267 120.800 120.500 0.054 0.000 2.508 123 R HA 0.375 4.704 4.340 -0.018 0.000 0.420 123 R C -1.063 175.192 176.300 -0.075 0.000 0.866 123 R CA -0.569 55.528 56.100 -0.005 0.000 1.103 123 R CB -0.722 29.582 30.300 0.006 0.000 1.657 123 R HN 0.617 nan 8.270 nan 0.000 0.562 124 N N -1.064 117.546 118.700 -0.150 0.000 2.484 124 N HA 0.403 5.132 4.740 -0.018 0.000 0.269 124 N C -2.629 172.673 175.510 -0.347 0.000 1.237 124 N CA -2.117 50.763 53.050 -0.283 0.000 0.838 124 N CB 1.439 39.677 38.487 -0.415 0.000 1.593 124 N HN -0.315 nan 8.380 nan 0.000 0.485 125 P HA -0.251 nan 4.420 nan 0.000 0.216 125 P C 0.907 178.070 177.300 -0.227 0.000 0.860 125 P CA 2.547 65.506 63.100 -0.235 0.000 1.042 125 P CB -0.624 30.942 31.700 -0.222 0.000 0.716 126 T N -1.404 113.002 114.554 -0.246 0.000 3.072 126 T HA -0.010 4.329 4.350 -0.018 0.000 0.266 126 T C 1.631 176.423 174.700 0.153 0.000 1.127 126 T CA 0.728 62.790 62.100 -0.064 0.000 1.107 126 T CB -0.779 68.098 68.868 0.015 0.000 0.910 126 T HN 0.130 nan 8.240 nan 0.000 0.513 127 F N 1.481 121.405 119.950 -0.044 0.000 2.016 127 F HA -0.016 4.500 4.527 -0.018 0.000 0.290 127 F C 2.597 178.337 175.800 -0.101 0.000 1.166 127 F CA 0.393 58.371 58.000 -0.038 0.000 1.156 127 F CB -0.608 38.391 39.000 -0.002 0.000 0.995 127 F HN 0.002 nan 8.300 nan 0.000 0.477 128 M N 1.158 120.833 119.600 0.125 0.000 2.190 128 M HA -0.274 4.195 4.480 -0.018 0.000 0.252 128 M C 2.390 178.643 176.300 -0.078 0.000 1.076 128 M CA 2.089 57.386 55.300 -0.005 0.000 1.079 128 M CB -1.669 30.911 32.600 -0.033 0.000 1.303 128 M HN 0.417 nan 8.290 nan 0.000 0.412 129 G N 0.489 109.224 108.800 -0.109 0.000 2.628 129 G HA2 -0.228 3.720 3.960 -0.018 0.000 0.217 129 G HA3 -0.228 3.720 3.960 -0.018 0.000 0.217 129 G C 1.445 176.158 174.900 -0.312 0.000 1.240 129 G CA 1.243 46.216 45.100 -0.212 0.000 0.792 129 G HN 0.397 nan 8.290 nan 0.000 0.593 130 L N 0.729 121.765 121.223 -0.312 0.000 2.042 130 L HA -0.133 4.196 4.340 -0.018 0.000 0.210 130 L C 3.469 179.899 176.870 -0.733 0.000 1.076 130 L CA 1.211 55.747 54.840 -0.506 0.000 0.749 130 L CB -0.436 41.317 42.059 -0.511 0.000 0.893 130 L HN 0.358 nan 8.230 nan 0.000 0.432 131 A N 0.011 122.463 122.820 -0.613 0.000 1.877 131 A HA -0.174 4.135 4.320 -0.018 0.000 0.216 131 A C 2.229 179.689 177.584 -0.208 0.000 1.186 131 A CA 1.391 53.185 52.037 -0.404 0.000 0.620 131 A CB -0.744 18.171 19.000 -0.143 0.000 0.822 131 A HN 0.337 nan 8.150 nan 0.000 0.443 132 L N -1.272 119.861 121.223 -0.150 0.000 2.013 132 L HA -0.285 4.044 4.340 -0.018 0.000 0.212 132 L C 2.623 179.500 176.870 0.012 0.000 1.073 132 L CA 1.892 56.691 54.840 -0.069 0.000 0.753 132 L CB -0.882 41.157 42.059 -0.034 0.000 0.890 132 L HN 0.543 nan 8.230 nan 0.000 0.432 133 H N -1.778 117.201 119.070 -0.151 0.000 2.387 133 H HA -0.246 4.299 4.556 -0.018 0.000 0.299 133 H C 2.467 177.737 175.328 -0.096 0.000 1.099 133 H CA 1.436 57.413 56.048 -0.118 0.000 1.315 133 H CB 0.033 29.724 29.762 -0.119 0.000 1.380 133 H HN 0.513 nan 8.280 nan 0.000 0.513 134 C N 0.685 119.985 119.300 0.000 0.000 2.496 134 C HA -0.119 4.330 4.460 -0.018 0.000 0.281 134 C C 2.730 177.735 174.990 0.025 0.000 1.250 134 C CA 0.713 59.756 59.018 0.041 0.000 1.717 134 C CB -1.125 26.708 27.740 0.155 0.000 2.082 134 C HN 0.421 nan 8.230 nan 0.000 0.472 135 I N 1.956 122.523 120.570 -0.004 0.000 2.113 135 I HA -0.291 3.868 4.170 -0.018 0.000 0.242 135 I C 2.816 178.931 176.117 -0.002 0.000 1.057 135 I CA 2.269 63.563 61.300 -0.010 0.000 1.314 135 I CB -0.728 37.227 38.000 -0.075 0.000 1.022 135 I HN 0.475 nan 8.210 nan 0.000 0.408 136 A N 0.089 122.896 122.820 -0.023 0.000 2.015 136 A HA -0.197 4.112 4.320 -0.018 0.000 0.219 136 A C 2.174 179.734 177.584 -0.040 0.000 1.163 136 A CA 1.702 53.718 52.037 -0.034 0.000 0.646 136 A CB -0.671 18.293 19.000 -0.061 0.000 0.806 136 A HN 0.499 nan 8.150 nan 0.000 0.448 137 N N -0.437 118.241 118.700 -0.036 0.000 2.109 137 N HA -0.058 4.671 4.740 -0.018 0.000 0.188 137 N C 1.257 176.757 175.510 -0.018 0.000 1.034 137 N CA 2.023 55.051 53.050 -0.036 0.000 0.846 137 N CB 0.105 38.577 38.487 -0.025 0.000 1.010 137 N HN 0.272 nan 8.380 nan 0.000 0.425 138 V N -1.347 118.566 119.914 -0.001 0.000 5.259 138 V HA 0.458 4.567 4.120 -0.018 0.000 0.136 138 V C 0.131 176.234 176.094 0.014 0.000 0.888 138 V CA 0.138 62.438 62.300 0.000 0.000 1.412 138 V CB -0.290 31.528 31.823 -0.008 0.000 2.358 138 V HN 0.444 nan 8.190 nan 0.000 0.398 139 G N 0.815 109.629 108.800 0.025 0.000 2.778 139 G HA2 -0.085 3.864 3.960 -0.018 0.000 0.686 139 G HA3 -0.085 3.864 3.960 -0.018 0.000 0.686 139 G C -0.134 174.787 174.900 0.035 0.000 1.309 139 G CA 0.226 45.352 45.100 0.044 0.000 0.904 139 G HN 0.787 nan 8.290 nan 0.000 0.593 140 S N 0.228 115.951 115.700 0.039 0.000 2.495 140 S HA 0.516 4.975 4.470 -0.018 0.000 0.273 140 S C 1.998 176.619 174.600 0.034 0.000 1.156 140 S CA 0.616 58.832 58.200 0.026 0.000 1.032 140 S CB 0.969 64.179 63.200 0.016 0.000 1.160 140 S HN 0.891 nan 8.310 nan 0.000 0.489 141 R N 0.262 120.774 120.500 0.019 0.000 2.073 141 R HA -0.088 4.241 4.340 -0.018 0.000 0.234 141 R C 1.930 178.239 176.300 0.015 0.000 1.134 141 R CA 2.126 58.234 56.100 0.013 0.000 0.952 141 R CB -0.618 29.682 30.300 -0.001 0.000 0.850 141 R HN 0.684 nan 8.270 nan 0.000 0.433 142 E N 0.121 120.325 120.200 0.007 0.000 2.284 142 E HA -0.247 4.092 4.350 -0.018 0.000 0.200 142 E C 1.673 178.264 176.600 -0.015 0.000 1.008 142 E CA 1.473 57.859 56.400 -0.024 0.000 0.829 142 E CB -0.259 29.432 29.700 -0.014 0.000 0.744 142 E HN 0.273 nan 8.360 nan 0.000 0.491 143 M N 0.375 120.051 119.600 0.126 0.000 2.099 143 M HA -0.007 4.462 4.480 -0.018 0.000 0.262 143 M C 2.195 178.653 176.300 0.262 0.000 1.067 143 M CA 1.811 57.317 55.300 0.343 0.000 1.124 143 M CB -0.703 32.046 32.600 0.249 0.000 1.353 143 M HN 0.215 nan 8.290 nan 0.000 0.410 144 A N -1.281 121.608 122.820 0.115 0.000 2.119 144 A HA -0.048 4.261 4.320 -0.018 0.000 0.216 144 A C 2.039 179.629 177.584 0.010 0.000 1.152 144 A CA 1.118 53.198 52.037 0.071 0.000 0.708 144 A CB -0.534 18.494 19.000 0.046 0.000 0.805 144 A HN 0.540 nan 8.150 nan 0.000 0.460 145 E N -0.506 119.670 120.200 -0.040 0.000 2.086 145 E HA 0.078 4.417 4.350 -0.018 0.000 0.190 145 E C 2.096 178.597 176.600 -0.165 0.000 0.975 145 E CA 0.765 57.117 56.400 -0.080 0.000 0.813 145 E CB -0.073 29.582 29.700 -0.075 0.000 0.768 145 E HN 0.563 nan 8.360 nan 0.000 0.457 146 A N 0.116 122.732 122.820 -0.341 0.000 2.095 146 A HA 0.069 4.378 4.320 -0.018 0.000 0.212 146 A C 0.823 177.957 177.584 -0.750 0.000 1.162 146 A CA 0.320 51.972 52.037 -0.643 0.000 0.753 146 A CB 0.051 18.466 19.000 -0.975 0.000 0.840 146 A HN 0.176 nan 8.150 nan 0.000 0.468 147 F N -1.346 118.610 119.950 0.009 0.000 2.879 147 F HA 0.528 5.044 4.527 -0.018 0.000 0.354 147 F C 1.333 177.133 175.800 -0.000 0.000 1.291 147 F CA 0.187 58.189 58.000 0.005 0.000 1.238 147 F CB 0.532 39.536 39.000 0.006 0.000 1.005 147 F HN 0.158 nan 8.300 nan 0.000 0.508 148 A N -0.017 122.860 122.820 0.094 0.000 2.140 148 A HA 0.389 4.698 4.320 -0.018 0.000 0.209 148 A C 2.078 179.699 177.584 0.061 0.000 1.181 148 A CA 0.767 52.849 52.037 0.075 0.000 0.824 148 A CB -0.340 18.693 19.000 0.056 0.000 0.879 148 A HN 0.440 nan 8.150 nan 0.000 0.480 149 G N -0.717 108.116 108.800 0.054 0.000 3.371 149 G HA2 0.281 4.230 3.960 -0.018 0.000 0.248 149 G HA3 0.281 4.230 3.960 -0.018 0.000 0.248 149 G C 0.896 175.816 174.900 0.032 0.000 1.161 149 G CA 0.665 45.796 45.100 0.051 0.000 0.796 149 G HN 0.427 nan 8.290 nan 0.000 0.539 150 E N 0.504 120.732 120.200 0.047 0.000 2.065 150 E HA 0.052 4.391 4.350 -0.018 0.000 0.191 150 E C 2.447 179.043 176.600 -0.008 0.000 0.960 150 E CA 0.246 56.686 56.400 0.066 0.000 0.824 150 E CB -0.031 29.783 29.700 0.190 0.000 0.793 150 E HN 0.195 nan 8.360 nan 0.000 0.459 151 I N 1.345 121.889 120.570 -0.043 0.000 2.252 151 I HA -0.075 4.084 4.170 -0.018 0.000 0.245 151 I C -0.767 175.213 176.117 -0.229 0.000 1.102 151 I CA 0.944 62.177 61.300 -0.111 0.000 1.385 151 I CB -2.471 35.468 38.000 -0.102 0.000 1.064 151 I HN 0.096 nan 8.210 nan 0.000 0.414 152 P HA -0.187 nan 4.420 nan 0.000 0.215 152 P C 1.694 178.786 177.300 -0.347 0.000 1.163 152 P CA 1.840 64.524 63.100 -0.694 0.000 0.894 152 P CB -0.100 31.090 31.700 -0.850 0.000 0.791 153 K N -1.024 119.280 120.400 -0.160 0.000 2.211 153 K HA -0.051 4.258 4.320 -0.018 0.000 0.203 153 K C 2.100 178.676 176.600 -0.040 0.000 1.050 153 K CA 0.858 57.117 56.287 -0.047 0.000 0.945 153 K CB -0.544 31.958 32.500 0.003 0.000 0.732 153 K HN 0.145 nan 8.250 nan 0.000 0.451 154 I N 0.407 120.939 120.570 -0.064 0.000 2.151 154 I HA -0.283 3.876 4.170 -0.018 0.000 0.243 154 I C 1.419 177.506 176.117 -0.050 0.000 1.080 154 I CA 1.143 62.412 61.300 -0.051 0.000 1.339 154 I CB -0.003 37.959 38.000 -0.064 0.000 1.039 154 I HN 0.117 nan 8.210 nan 0.000 0.409 155 L N -0.411 120.764 121.223 -0.079 0.000 2.693 155 L HA 0.119 4.448 4.340 -0.018 0.000 0.235 155 L C 1.495 178.372 176.870 0.011 0.000 1.127 155 L CA 0.362 55.175 54.840 -0.044 0.000 0.914 155 L CB -0.567 41.453 42.059 -0.065 0.000 1.193 155 L HN 0.049 nan 8.230 nan 0.000 0.502 156 V N -1.018 118.911 119.914 0.026 0.000 2.230 156 V HA -0.195 3.914 4.120 -0.018 0.000 0.156 156 V C 1.381 177.546 176.094 0.118 0.000 0.794 156 V CA 0.813 63.181 62.300 0.114 0.000 1.101 156 V CB -1.392 30.506 31.823 0.126 0.000 0.693 156 V HN 0.274 nan 8.190 nan 0.000 0.483 157 A N 1.058 123.941 122.820 0.106 0.000 3.118 157 A HA 0.669 4.978 4.320 -0.018 0.000 0.256 157 A C 0.463 178.086 177.584 0.066 0.000 1.667 157 A CA 0.448 52.539 52.037 0.090 0.000 1.338 157 A CB -1.615 17.430 19.000 0.076 0.000 1.127 157 A HN 1.736 nan 8.150 nan 0.000 0.634 158 G N 1.033 109.868 108.800 0.059 0.000 2.760 158 G HA2 0.511 4.460 3.960 -0.018 0.000 0.296 158 G HA3 0.511 4.460 3.960 -0.018 0.000 0.296 158 G C -1.656 173.260 174.900 0.027 0.000 1.427 158 G CA -0.637 44.485 45.100 0.038 0.000 1.109 158 G HN 0.378 nan 8.290 nan 0.000 0.553 159 D N 1.233 121.646 120.400 0.021 0.000 2.408 159 D HA 0.586 5.215 4.640 -0.018 0.000 0.243 159 D C 0.299 176.596 176.300 -0.004 0.000 1.075 159 D CA -0.453 53.554 54.000 0.012 0.000 0.832 159 D CB 1.833 42.647 40.800 0.023 0.000 1.162 159 D HN 0.453 nan 8.370 nan 0.000 0.515 160 T N -2.066 112.477 114.554 -0.018 0.000 2.883 160 T HA 0.519 4.858 4.350 -0.018 0.000 0.284 160 T C 0.917 175.591 174.700 -0.044 0.000 1.041 160 T CA -1.205 60.876 62.100 -0.032 0.000 1.007 160 T CB 1.032 69.876 68.868 -0.040 0.000 1.220 160 T HN 0.312 nan 8.240 nan 0.000 0.552 161 M N 1.973 121.538 119.600 -0.058 0.000 2.260 161 M HA 0.124 4.593 4.480 -0.018 0.000 0.348 161 M C 0.155 176.400 176.300 -0.091 0.000 1.342 161 M CA 0.018 55.276 55.300 -0.070 0.000 1.040 161 M CB -0.651 31.898 32.600 -0.086 0.000 1.810 161 M HN 0.595 nan 8.290 nan 0.000 0.453 162 D N 2.057 122.393 120.400 -0.107 0.000 2.133 162 D HA -0.166 4.463 4.640 -0.018 0.000 0.195 162 D C 2.028 178.198 176.300 -0.216 0.000 0.997 162 D CA 2.193 56.081 54.000 -0.186 0.000 0.840 162 D CB -0.153 40.472 40.800 -0.291 0.000 0.947 162 D HN 0.839 nan 8.370 nan 0.000 0.452 163 S N -0.015 115.574 115.700 -0.185 0.000 2.365 163 S HA -0.180 4.279 4.470 -0.018 0.000 0.225 163 S C 2.244 176.784 174.600 -0.101 0.000 1.039 163 S CA 1.417 59.534 58.200 -0.139 0.000 1.033 163 S CB -0.876 62.256 63.200 -0.113 0.000 0.887 163 S HN 0.141 nan 8.310 nan 0.000 0.447 164 V N 2.457 122.311 119.914 -0.100 0.000 2.237 164 V HA -0.175 3.934 4.120 -0.018 0.000 0.245 164 V C 2.760 178.809 176.094 -0.075 0.000 1.046 164 V CA 2.128 64.379 62.300 -0.082 0.000 1.007 164 V CB -0.893 30.881 31.823 -0.082 0.000 0.638 164 V HN 0.468 nan 8.190 nan 0.000 0.445 165 K N -0.399 119.951 120.400 -0.082 0.000 2.071 165 K HA -0.333 3.976 4.320 -0.018 0.000 0.217 165 K C 2.318 178.871 176.600 -0.079 0.000 1.054 165 K CA 2.416 58.657 56.287 -0.078 0.000 0.937 165 K CB -0.323 32.128 32.500 -0.082 0.000 0.719 165 K HN 0.551 nan 8.250 nan 0.000 0.454 166 Q N -0.050 119.695 119.800 -0.091 0.000 1.985 166 Q HA -0.171 4.158 4.340 -0.018 0.000 0.207 166 Q C 2.299 178.267 176.000 -0.053 0.000 0.996 166 Q CA 1.981 57.737 55.803 -0.078 0.000 0.851 166 Q CB -0.241 28.442 28.738 -0.091 0.000 0.921 166 Q HN 0.238 nan 8.270 nan 0.000 0.418 167 S N 0.572 116.257 115.700 -0.025 0.000 2.420 167 S HA -0.194 4.265 4.470 -0.018 0.000 0.237 167 S C 1.877 176.462 174.600 -0.025 0.000 1.023 167 S CA 0.962 59.169 58.200 0.011 0.000 0.991 167 S CB -0.243 63.020 63.200 0.105 0.000 0.792 167 S HN 0.476 nan 8.310 nan 0.000 0.488 168 A N 1.664 124.456 122.820 -0.047 0.000 1.854 168 A HA 0.234 4.543 4.320 -0.018 0.000 0.214 168 A C 2.397 179.938 177.584 -0.072 0.000 1.192 168 A CA 1.496 53.495 52.037 -0.063 0.000 0.611 168 A CB -1.342 17.615 19.000 -0.071 0.000 0.832 168 A HN 0.496 nan 8.150 nan 0.000 0.442 169 A N 0.076 122.851 122.820 -0.074 0.000 1.869 169 A HA -0.211 4.098 4.320 -0.018 0.000 0.218 169 A C 2.195 179.738 177.584 -0.069 0.000 1.203 169 A CA 1.905 53.896 52.037 -0.077 0.000 0.638 169 A CB -0.951 18.005 19.000 -0.072 0.000 0.831 169 A HN 0.494 nan 8.150 nan 0.000 0.450 170 L N -1.289 119.896 121.223 -0.064 0.000 2.083 170 L HA -0.230 4.099 4.340 -0.018 0.000 0.209 170 L C 2.844 179.683 176.870 -0.051 0.000 1.083 170 L CA 1.297 56.099 54.840 -0.063 0.000 0.752 170 L CB -0.829 41.184 42.059 -0.078 0.000 0.899 170 L HN 0.680 nan 8.230 nan 0.000 0.433 171 C N 0.210 119.480 119.300 -0.049 0.000 2.413 171 C HA -0.217 4.232 4.460 -0.018 0.000 0.278 171 C C 2.812 177.791 174.990 -0.018 0.000 1.224 171 C CA 1.173 60.170 59.018 -0.036 0.000 1.732 171 C CB -0.719 26.996 27.740 -0.041 0.000 2.050 171 C HN 0.514 nan 8.230 nan 0.000 0.463 172 L N 0.694 121.898 121.223 -0.033 0.000 2.079 172 L HA -0.097 4.232 4.340 -0.018 0.000 0.210 172 L C 2.136 179.024 176.870 0.031 0.000 1.081 172 L CA 1.859 56.687 54.840 -0.019 0.000 0.752 172 L CB -0.976 41.030 42.059 -0.089 0.000 0.896 172 L HN 0.387 nan 8.230 nan 0.000 0.433 173 L N -0.460 120.763 121.223 0.001 0.000 2.083 173 L HA -0.179 4.150 4.340 -0.018 0.000 0.209 173 L C 2.670 179.578 176.870 0.063 0.000 1.083 173 L CA 1.766 56.619 54.840 0.021 0.000 0.752 173 L CB -0.808 41.234 42.059 -0.029 0.000 0.899 173 L HN 0.317 nan 8.230 nan 0.000 0.433 174 R N -0.443 120.077 120.500 0.033 0.000 2.073 174 R HA -0.085 4.244 4.340 -0.018 0.000 0.234 174 R C 2.152 178.491 176.300 0.064 0.000 1.134 174 R CA 1.793 57.915 56.100 0.036 0.000 0.952 174 R CB -0.702 29.603 30.300 0.008 0.000 0.850 174 R HN 0.460 nan 8.270 nan 0.000 0.433 175 L N -0.841 120.427 121.223 0.074 0.000 2.376 175 L HA -0.094 4.235 4.340 -0.018 0.000 0.219 175 L C 1.802 178.741 176.870 0.116 0.000 1.133 175 L CA 0.904 55.794 54.840 0.084 0.000 0.816 175 L CB -0.316 41.792 42.059 0.082 0.000 0.933 175 L HN 0.263 nan 8.230 nan 0.000 0.449 176 Y N 0.202 120.520 120.300 0.030 0.000 2.448 176 Y HA -0.069 4.470 4.550 -0.018 0.000 0.289 176 Y C 2.719 178.638 175.900 0.031 0.000 1.114 176 Y CA 0.597 58.724 58.100 0.045 0.000 1.235 176 Y CB 0.140 38.638 38.460 0.062 0.000 1.045 176 Y HN -0.027 nan 8.280 nan 0.000 0.554 177 R N -0.767 119.846 120.500 0.189 0.000 2.081 177 R HA -0.124 4.205 4.340 -0.018 0.000 0.235 177 R C 1.458 177.776 176.300 0.030 0.000 1.131 177 R CA 2.223 58.389 56.100 0.111 0.000 0.960 177 R CB -0.294 30.051 30.300 0.075 0.000 0.856 177 R HN 0.173 nan 8.270 nan 0.000 0.436 178 T N -1.257 113.302 114.554 0.009 0.000 2.969 178 T HA 0.209 4.548 4.350 -0.018 0.000 0.250 178 T C -0.278 174.396 174.700 -0.043 0.000 1.021 178 T CA 0.169 62.261 62.100 -0.014 0.000 1.003 178 T CB 0.641 69.510 68.868 0.000 0.000 1.040 178 T HN 0.052 nan 8.240 nan 0.000 0.492 179 S N 2.642 118.307 115.700 -0.058 0.000 2.252 179 S HA 0.285 4.744 4.470 -0.018 0.000 0.187 179 S C -2.062 172.454 174.600 -0.140 0.000 1.587 179 S CA -1.010 57.148 58.200 -0.070 0.000 1.215 179 S CB 1.735 64.921 63.200 -0.023 0.000 1.085 179 S HN 0.210 nan 8.310 nan 0.000 0.466 180 P HA -0.114 nan 4.420 nan 0.000 0.214 180 P C 1.271 178.478 177.300 -0.155 0.000 1.162 180 P CA 1.220 64.111 63.100 -0.349 0.000 0.871 180 P CB -0.025 31.474 31.700 -0.335 0.000 0.783 181 D N 1.106 121.451 120.400 -0.091 0.000 2.149 181 D HA -0.192 4.437 4.640 -0.018 0.000 0.194 181 D C 1.338 177.629 176.300 -0.015 0.000 1.001 181 D CA 1.142 55.120 54.000 -0.038 0.000 0.849 181 D CB -1.143 39.639 40.800 -0.030 0.000 0.939 181 D HN 0.263 nan 8.370 nan 0.000 0.449 182 L N 0.846 122.057 121.223 -0.020 0.000 3.001 182 L HA 0.256 4.585 4.340 -0.018 0.000 0.234 182 L C -0.433 176.458 176.870 0.034 0.000 1.321 182 L CA -0.379 54.464 54.840 0.006 0.000 1.138 182 L CB 0.802 42.860 42.059 -0.001 0.000 1.503 182 L HN -0.172 nan 8.230 nan 0.000 0.487 183 V N 1.089 121.035 119.914 0.053 0.000 2.488 183 V HA 0.379 4.488 4.120 -0.018 0.000 0.293 183 V C -2.006 174.207 176.094 0.198 0.000 1.027 183 V CA -1.228 61.160 62.300 0.145 0.000 0.862 183 V CB 2.264 34.213 31.823 0.211 0.000 1.008 183 V HN 0.134 nan 8.190 nan 0.000 0.428 184 P HA 0.364 nan 4.420 nan 0.000 0.274 184 P C -0.504 177.027 177.300 0.385 0.000 1.231 184 P CA -0.569 62.684 63.100 0.254 0.000 0.790 184 P CB 1.019 32.862 31.700 0.239 0.000 0.951 185 M N 0.947 120.675 119.600 0.214 0.000 2.972 185 M HA 0.289 4.758 4.480 -0.018 0.000 0.323 185 M C 0.799 176.969 176.300 -0.216 0.000 1.213 185 M CA -0.805 54.505 55.300 0.017 0.000 0.935 185 M CB -0.370 32.214 32.600 -0.026 0.000 1.289 185 M HN 0.383 nan 8.290 nan 0.000 0.525 186 G N 0.253 109.018 108.800 -0.059 0.000 2.716 186 G HA2 0.191 4.140 3.960 -0.018 0.000 0.251 186 G HA3 0.191 4.140 3.960 -0.018 0.000 0.251 186 G C -0.146 174.451 174.900 -0.505 0.000 1.224 186 G CA -0.620 44.414 45.100 -0.109 0.000 0.891 186 G HN 0.594 nan 8.290 nan 0.000 0.561 187 D N -0.014 120.294 120.400 -0.153 0.000 2.597 187 D HA -0.010 4.619 4.640 -0.018 0.000 0.228 187 D C 0.710 177.036 176.300 0.044 0.000 1.120 187 D CA -0.448 53.483 54.000 -0.116 0.000 1.083 187 D CB -0.491 40.293 40.800 -0.026 0.000 1.116 187 D HN 0.746 nan 8.370 nan 0.000 0.487 188 W N 0.059 121.388 121.300 0.048 0.000 2.079 188 W HA 0.068 4.717 4.660 -0.019 0.000 0.285 188 W C 0.206 176.779 176.519 0.091 0.000 0.891 188 W CA -0.403 56.983 57.345 0.068 0.000 1.308 188 W CB -1.189 28.315 29.460 0.073 0.000 1.047 188 W HN -0.066 nan 8.180 nan 0.000 0.522 189 T N 1.530 116.044 114.554 -0.067 0.000 2.685 189 T HA -0.327 4.012 4.350 -0.018 0.000 0.268 189 T C 1.931 176.720 174.700 0.148 0.000 1.034 189 T CA 2.721 64.812 62.100 -0.014 0.000 1.149 189 T CB -0.527 68.169 68.868 -0.287 0.000 0.860 189 T HN 0.209 nan 8.240 nan 0.000 0.449 190 S N 0.372 116.133 115.700 0.103 0.000 2.383 190 S HA -0.035 4.424 4.470 -0.018 0.000 0.227 190 S C 2.158 176.884 174.600 0.210 0.000 1.026 190 S CA 0.854 59.129 58.200 0.125 0.000 0.981 190 S CB -0.104 63.137 63.200 0.068 0.000 0.818 190 S HN 0.411 nan 8.310 nan 0.000 0.472 191 R N -0.014 120.633 120.500 0.245 0.000 2.210 191 R HA 0.168 4.497 4.340 -0.018 0.000 0.203 191 R C 2.116 178.550 176.300 0.224 0.000 1.010 191 R CA 0.762 57.038 56.100 0.293 0.000 1.008 191 R CB -0.212 30.251 30.300 0.273 0.000 0.923 191 R HN 0.265 nan 8.270 nan 0.000 0.469 192 V N 0.806 120.884 119.914 0.273 0.000 2.233 192 V HA -0.195 3.914 4.120 -0.018 0.000 0.247 192 V C 1.638 177.845 176.094 0.188 0.000 1.050 192 V CA 1.927 64.378 62.300 0.250 0.000 1.010 192 V CB -0.454 31.624 31.823 0.425 0.000 0.637 192 V HN 0.271 nan 8.190 nan 0.000 0.444 193 V N -1.193 118.868 119.914 0.244 0.000 3.095 193 V HA 0.311 4.420 4.120 -0.018 0.000 0.388 193 V C 1.083 177.299 176.094 0.203 0.000 1.286 193 V CA 0.790 63.212 62.300 0.203 0.000 1.406 193 V CB -1.019 30.960 31.823 0.260 0.000 1.363 193 V HN 0.719 nan 8.190 nan 0.000 0.532 194 H N 0.975 120.104 119.070 0.099 0.000 2.381 194 H HA 0.361 4.906 4.556 -0.018 0.000 0.252 194 H C 1.127 176.492 175.328 0.062 0.000 0.920 194 H CA 0.696 56.787 56.048 0.072 0.000 1.100 194 H CB 0.008 29.809 29.762 0.066 0.000 1.435 194 H HN 0.384 nan 8.280 nan 0.000 0.454 195 L N 2.036 123.036 121.223 -0.373 0.000 2.718 195 L HA 0.108 4.437 4.340 -0.018 0.000 0.242 195 L C 1.603 178.395 176.870 -0.130 0.000 1.203 195 L CA 0.083 54.709 54.840 -0.357 0.000 1.011 195 L CB -0.016 41.869 42.059 -0.290 0.000 1.250 195 L HN 0.409 nan 8.230 nan 0.000 0.437 196 L N 0.046 121.232 121.223 -0.063 0.000 2.121 196 L HA -0.114 4.215 4.340 -0.018 0.000 0.200 196 L C 2.100 178.956 176.870 -0.024 0.000 1.077 196 L CA 1.210 56.036 54.840 -0.023 0.000 0.766 196 L CB -0.029 42.042 42.059 0.020 0.000 0.931 196 L HN 0.417 nan 8.230 nan 0.000 0.452 197 N N 0.574 119.270 118.700 -0.008 0.000 2.247 197 N HA -0.227 4.502 4.740 -0.018 0.000 0.189 197 N C 0.426 175.924 175.510 -0.019 0.000 1.009 197 N CA 0.731 53.784 53.050 0.005 0.000 0.872 197 N CB -0.288 38.227 38.487 0.047 0.000 0.980 197 N HN 0.328 nan 8.380 nan 0.000 0.436 198 D N -0.300 120.062 120.400 -0.064 0.000 2.548 198 D HA -0.108 4.521 4.640 -0.018 0.000 0.231 198 D C 1.169 177.459 176.300 -0.017 0.000 1.142 198 D CA 0.094 54.057 54.000 -0.061 0.000 0.866 198 D CB 0.668 41.406 40.800 -0.104 0.000 1.190 198 D HN 0.149 nan 8.370 nan 0.000 0.469 199 Q N 2.855 122.657 119.800 0.003 0.000 2.007 199 Q HA -0.280 4.049 4.340 -0.018 0.000 0.214 199 Q C 0.042 176.046 176.000 0.008 0.000 1.031 199 Q CA 1.932 57.742 55.803 0.011 0.000 0.886 199 Q CB -0.912 27.843 28.738 0.028 0.000 0.992 199 Q HN 0.746 nan 8.270 nan 0.000 0.415 200 H N -0.170 118.878 119.070 -0.036 0.000 2.975 200 H HA 0.069 4.614 4.556 -0.018 0.000 0.303 200 H C 0.883 176.144 175.328 -0.111 0.000 1.023 200 H CA 0.144 56.170 56.048 -0.036 0.000 1.473 200 H CB 0.283 30.041 29.762 -0.006 0.000 1.498 200 H HN 0.301 nan 8.280 nan 0.000 0.549 201 L N 3.819 124.941 121.223 -0.168 0.000 2.275 201 L HA -0.061 4.268 4.340 -0.018 0.000 0.215 201 L C 2.518 179.285 176.870 -0.171 0.000 1.119 201 L CA 0.922 55.546 54.840 -0.360 0.000 0.790 201 L CB -0.343 41.130 42.059 -0.976 0.000 0.919 201 L HN 0.852 nan 8.230 nan 0.000 0.443 202 G N -0.171 108.715 108.800 0.144 0.000 2.404 202 G HA2 -0.187 3.762 3.960 -0.018 0.000 0.215 202 G HA3 -0.187 3.762 3.960 -0.018 0.000 0.215 202 G C 1.601 176.510 174.900 0.014 0.000 1.174 202 G CA 0.782 45.959 45.100 0.127 0.000 0.780 202 G HN 0.137 nan 8.290 nan 0.000 0.537 203 V N 0.898 120.816 119.914 0.006 0.000 2.231 203 V HA -0.247 3.862 4.120 -0.018 0.000 0.248 203 V C 3.112 179.184 176.094 -0.036 0.000 1.054 203 V CA 1.933 64.211 62.300 -0.037 0.000 1.015 203 V CB -0.777 31.029 31.823 -0.027 0.000 0.638 203 V HN 0.267 nan 8.190 nan 0.000 0.444 204 V N -0.110 119.786 119.914 -0.030 0.000 2.317 204 V HA -0.344 3.765 4.120 -0.018 0.000 0.251 204 V C 2.374 178.443 176.094 -0.041 0.000 1.065 204 V CA 2.660 64.936 62.300 -0.041 0.000 1.049 204 V CB -1.528 30.263 31.823 -0.053 0.000 0.651 204 V HN 0.665 nan 8.190 nan 0.000 0.450 205 T N 0.688 115.218 114.554 -0.040 0.000 2.520 205 T HA -0.181 4.158 4.350 -0.018 0.000 0.258 205 T C 2.133 176.808 174.700 -0.041 0.000 1.125 205 T CA 1.915 63.998 62.100 -0.029 0.000 1.206 205 T CB -0.807 68.051 68.868 -0.018 0.000 0.864 205 T HN 0.591 nan 8.240 nan 0.000 0.400 206 A N 1.896 124.688 122.820 -0.048 0.000 1.881 206 A HA -0.142 4.167 4.320 -0.018 0.000 0.219 206 A C 2.674 180.217 177.584 -0.069 0.000 1.215 206 A CA 2.925 54.926 52.037 -0.060 0.000 0.648 206 A CB -1.532 17.430 19.000 -0.063 0.000 0.832 206 A HN 0.629 nan 8.150 nan 0.000 0.455 207 A N -1.463 121.318 122.820 -0.065 0.000 1.869 207 A HA -0.205 4.104 4.320 -0.018 0.000 0.218 207 A C 2.324 179.852 177.584 -0.092 0.000 1.203 207 A CA 2.839 54.833 52.037 -0.072 0.000 0.638 207 A CB -1.677 17.290 19.000 -0.054 0.000 0.831 207 A HN 0.519 nan 8.150 nan 0.000 0.450 208 T N 0.258 114.768 114.554 -0.074 0.000 2.685 208 T HA -0.189 4.150 4.350 -0.018 0.000 0.268 208 T C 2.236 176.874 174.700 -0.103 0.000 1.034 208 T CA 1.907 63.960 62.100 -0.079 0.000 1.149 208 T CB -0.448 68.393 68.868 -0.045 0.000 0.860 208 T HN 0.543 nan 8.240 nan 0.000 0.449 209 S N 1.176 116.824 115.700 -0.088 0.000 2.344 209 S HA -0.052 4.407 4.470 -0.018 0.000 0.217 209 S C 1.940 176.462 174.600 -0.131 0.000 1.033 209 S CA 1.108 59.252 58.200 -0.094 0.000 1.017 209 S CB -0.701 62.456 63.200 -0.071 0.000 0.941 209 S HN 0.361 nan 8.310 nan 0.000 0.430 210 L N 1.984 123.127 121.223 -0.133 0.000 1.963 210 L HA -0.184 4.145 4.340 -0.018 0.000 0.220 210 L C 2.091 178.799 176.870 -0.270 0.000 1.076 210 L CA 1.848 56.587 54.840 -0.168 0.000 0.772 210 L CB -0.652 41.324 42.059 -0.137 0.000 0.892 210 L HN 0.304 nan 8.230 nan 0.000 0.435 211 I N -0.919 119.463 120.570 -0.314 0.000 2.185 211 I HA -0.399 3.760 4.170 -0.018 0.000 0.246 211 I C 2.345 178.181 176.117 -0.469 0.000 1.088 211 I CA 1.906 62.886 61.300 -0.535 0.000 1.347 211 I CB -0.761 36.983 38.000 -0.427 0.000 1.041 211 I HN 0.411 nan 8.210 nan 0.000 0.415 212 T N -0.099 114.278 114.554 -0.295 0.000 2.635 212 T HA -0.232 4.106 4.350 -0.018 0.000 0.267 212 T C 1.919 176.483 174.700 -0.226 0.000 1.040 212 T CA 2.306 64.260 62.100 -0.242 0.000 1.156 212 T CB -0.356 68.412 68.868 -0.166 0.000 0.863 212 T HN 0.403 nan 8.240 nan 0.000 0.430 213 T N 2.089 116.516 114.554 -0.213 0.000 2.737 213 T HA 0.084 4.423 4.350 -0.018 0.000 0.265 213 T C 2.017 176.570 174.700 -0.245 0.000 1.038 213 T CA 0.811 62.802 62.100 -0.181 0.000 1.144 213 T CB -0.421 68.364 68.868 -0.138 0.000 0.866 213 T HN 0.241 nan 8.240 nan 0.000 0.434 214 L N 0.874 121.865 121.223 -0.387 0.000 2.012 214 L HA -0.138 4.191 4.340 -0.018 0.000 0.210 214 L C 2.986 179.859 176.870 0.004 0.000 1.073 214 L CA 1.539 56.178 54.840 -0.336 0.000 0.748 214 L CB -0.698 41.144 42.059 -0.362 0.000 0.891 214 L HN 0.235 nan 8.230 nan 0.000 0.431 215 A N -1.345 121.411 122.820 -0.106 0.000 2.066 215 A HA -0.172 4.137 4.320 -0.018 0.000 0.218 215 A C 2.271 179.885 177.584 0.050 0.000 1.157 215 A CA 0.876 53.019 52.037 0.176 0.000 0.670 215 A CB -0.361 18.691 19.000 0.087 0.000 0.804 215 A HN 0.396 nan 8.150 nan 0.000 0.453 216 Q N -0.225 119.544 119.800 -0.052 0.000 2.084 216 Q HA -0.177 4.152 4.340 -0.018 0.000 0.202 216 Q C 1.687 177.719 176.000 0.052 0.000 0.978 216 Q CA 1.682 57.468 55.803 -0.028 0.000 0.844 216 Q CB -0.041 28.666 28.738 -0.050 0.000 0.898 216 Q HN 0.448 nan 8.270 nan 0.000 0.426 217 K N 0.178 120.634 120.400 0.092 0.000 2.356 217 K HA 0.068 4.377 4.320 -0.018 0.000 0.195 217 K C -0.295 176.400 176.600 0.158 0.000 1.037 217 K CA 0.307 56.682 56.287 0.146 0.000 1.014 217 K CB 0.365 33.004 32.500 0.232 0.000 0.815 217 K HN -0.008 nan 8.250 nan 0.000 0.507 218 N N 0.138 118.952 118.700 0.189 0.000 2.762 218 N HA 0.237 4.966 4.740 -0.018 0.000 0.252 218 N C -2.462 173.196 175.510 0.247 0.000 1.269 218 N CA -1.723 51.438 53.050 0.185 0.000 0.799 218 N CB 1.687 40.268 38.487 0.157 0.000 1.173 218 N HN -0.133 nan 8.380 nan 0.000 0.516 219 P HA -0.209 nan 4.420 nan 0.000 0.210 219 P C 1.424 178.850 177.300 0.211 0.000 1.185 219 P CA 1.324 64.648 63.100 0.373 0.000 0.924 219 P CB 0.249 32.120 31.700 0.285 0.000 0.786 220 E N 1.063 121.295 120.200 0.053 0.000 2.233 220 E HA -0.313 4.026 4.350 -0.018 0.000 0.210 220 E C 1.843 178.376 176.600 -0.112 0.000 1.046 220 E CA 2.207 58.578 56.400 -0.049 0.000 0.844 220 E CB -1.185 28.484 29.700 -0.051 0.000 0.741 220 E HN 0.290 nan 8.360 nan 0.000 0.465 221 E N -0.145 119.953 120.200 -0.170 0.000 2.110 221 E HA -0.109 4.230 4.350 -0.018 0.000 0.193 221 E C 1.128 177.340 176.600 -0.647 0.000 0.988 221 E CA 1.524 57.617 56.400 -0.512 0.000 0.804 221 E CB -0.269 28.953 29.700 -0.798 0.000 0.745 221 E HN 0.451 nan 8.360 nan 0.000 0.458 222 F N -0.000 120.008 119.950 0.098 0.000 2.661 222 F HA 0.277 4.793 4.527 -0.018 0.000 0.306 222 F C 1.511 177.401 175.800 0.151 0.000 1.094 222 F CA -0.421 57.667 58.000 0.147 0.000 1.254 222 F CB 0.249 39.361 39.000 0.187 0.000 1.040 222 F HN -0.107 nan 8.300 nan 0.000 0.562 223 K N 1.313 121.740 120.400 0.046 0.000 2.412 223 K HA -0.281 4.028 4.320 -0.018 0.000 0.202 223 K C 1.172 177.757 176.600 -0.026 0.000 1.042 223 K CA 2.200 58.384 56.287 -0.173 0.000 0.934 223 K CB -0.701 31.684 32.500 -0.193 0.000 0.742 223 K HN 0.414 nan 8.250 nan 0.000 0.492 224 T N -0.926 113.670 114.554 0.070 0.000 2.894 224 T HA -0.121 4.217 4.350 -0.018 0.000 0.258 224 T C 2.139 176.926 174.700 0.144 0.000 1.043 224 T CA 1.339 63.492 62.100 0.088 0.000 1.141 224 T CB -0.564 68.356 68.868 0.087 0.000 0.873 224 T HN 0.433 nan 8.240 nan 0.000 0.449 225 S N 2.782 118.620 115.700 0.231 0.000 2.401 225 S HA -0.261 4.198 4.470 -0.018 0.000 0.236 225 S C 1.869 176.587 174.600 0.196 0.000 1.058 225 S CA 1.935 60.270 58.200 0.226 0.000 1.151 225 S CB -1.562 61.799 63.200 0.269 0.000 1.049 225 S HN 0.401 nan 8.310 nan 0.000 0.432 226 V N 1.864 121.941 119.914 0.271 0.000 2.345 226 V HA -0.381 3.728 4.120 -0.018 0.000 0.235 226 V C 2.652 178.824 176.094 0.129 0.000 0.972 226 V CA 2.741 65.169 62.300 0.213 0.000 1.087 226 V CB -2.031 29.878 31.823 0.143 0.000 0.765 226 V HN 0.793 nan 8.190 nan 0.000 0.522 227 S N -0.236 115.519 115.700 0.092 0.000 2.381 227 S HA -0.243 4.216 4.470 -0.018 0.000 0.230 227 S C 1.756 176.395 174.600 0.065 0.000 1.052 227 S CA 2.653 60.893 58.200 0.066 0.000 1.068 227 S CB -0.566 62.663 63.200 0.049 0.000 0.918 227 S HN 0.431 nan 8.310 nan 0.000 0.448 228 L N 0.813 122.080 121.223 0.075 0.000 2.017 228 L HA -0.072 4.257 4.340 -0.018 0.000 0.208 228 L C 2.982 179.888 176.870 0.059 0.000 1.073 228 L CA 1.276 56.156 54.840 0.067 0.000 0.745 228 L CB -0.780 41.325 42.059 0.077 0.000 0.894 228 L HN 0.434 nan 8.230 nan 0.000 0.432 229 A N -0.146 122.716 122.820 0.070 0.000 1.908 229 A HA -0.156 4.153 4.320 -0.018 0.000 0.218 229 A C 2.323 179.939 177.584 0.053 0.000 1.181 229 A CA 1.898 53.969 52.037 0.058 0.000 0.627 229 A CB -0.857 18.184 19.000 0.068 0.000 0.818 229 A HN 0.202 nan 8.150 nan 0.000 0.445 230 V N 1.005 120.956 119.914 0.062 0.000 2.220 230 V HA -0.303 3.806 4.120 -0.018 0.000 0.246 230 V C 3.029 179.144 176.094 0.036 0.000 1.049 230 V CA 2.638 64.968 62.300 0.049 0.000 1.003 230 V CB -1.422 30.430 31.823 0.050 0.000 0.634 230 V HN 0.816 nan 8.190 nan 0.000 0.444 231 S N 0.623 116.344 115.700 0.035 0.000 2.370 231 S HA -0.270 4.189 4.470 -0.018 0.000 0.226 231 S C 2.071 176.687 174.600 0.025 0.000 1.033 231 S CA 1.333 59.549 58.200 0.028 0.000 1.011 231 S CB -0.579 62.638 63.200 0.028 0.000 0.852 231 S HN 0.445 nan 8.310 nan 0.000 0.457 232 R N 0.947 121.464 120.500 0.027 0.000 2.103 232 R HA 0.027 4.356 4.340 -0.018 0.000 0.242 232 R C 2.283 178.595 176.300 0.020 0.000 1.142 232 R CA 1.218 57.331 56.100 0.021 0.000 0.960 232 R CB -1.686 28.625 30.300 0.018 0.000 0.858 232 R HN 0.481 nan 8.270 nan 0.000 0.439 233 L N 1.083 122.320 121.223 0.024 0.000 1.973 233 L HA -0.155 4.174 4.340 -0.018 0.000 0.208 233 L C 2.514 179.397 176.870 0.021 0.000 1.073 233 L CA 2.439 57.294 54.840 0.024 0.000 0.746 233 L CB -1.249 40.827 42.059 0.028 0.000 0.891 233 L HN 0.311 nan 8.230 nan 0.000 0.433 234 S N -0.502 115.210 115.700 0.019 0.000 2.372 234 S HA -0.292 4.167 4.470 -0.018 0.000 0.227 234 S C 2.210 176.820 174.600 0.016 0.000 1.044 234 S CA 1.234 59.443 58.200 0.015 0.000 1.050 234 S CB -0.612 62.595 63.200 0.012 0.000 0.901 234 S HN 0.456 nan 8.310 nan 0.000 0.447 235 R N 0.943 121.454 120.500 0.017 0.000 2.115 235 R HA -0.066 4.263 4.340 -0.018 0.000 0.239 235 R C 2.420 178.733 176.300 0.021 0.000 1.133 235 R CA 2.001 58.112 56.100 0.018 0.000 0.935 235 R CB -1.195 29.115 30.300 0.017 0.000 0.853 235 R HN 0.567 nan 8.270 nan 0.000 0.433 236 I N 0.678 121.262 120.570 0.023 0.000 2.163 236 I HA -0.278 3.881 4.170 -0.018 0.000 0.243 236 I C 2.317 178.455 176.117 0.036 0.000 1.085 236 I CA 1.444 62.763 61.300 0.031 0.000 1.347 236 I CB -0.236 37.783 38.000 0.032 0.000 1.044 236 I HN -0.013 nan 8.210 nan 0.000 0.408 237 V N -1.030 118.901 119.914 0.029 0.000 2.488 237 V HA -0.085 4.024 4.120 -0.018 0.000 0.246 237 V C 0.772 176.882 176.094 0.027 0.000 1.046 237 V CA 1.320 63.637 62.300 0.029 0.000 1.053 237 V CB -0.860 30.976 31.823 0.021 0.000 0.679 237 V HN 0.399 nan 8.190 nan 0.000 0.458 238 T N 0.381 114.947 114.554 0.021 0.000 3.060 238 T HA 0.480 4.819 4.350 -0.018 0.000 0.367 238 T C 0.623 175.333 174.700 0.017 0.000 1.229 238 T CA 0.251 62.362 62.100 0.018 0.000 1.104 238 T CB 1.308 70.183 68.868 0.011 0.000 1.083 238 T HN 0.474 nan 8.240 nan 0.000 0.524 239 S N 1.751 117.463 115.700 0.021 0.000 3.036 239 S HA 0.848 5.307 4.470 -0.018 0.000 0.194 239 S C 0.603 175.211 174.600 0.014 0.000 0.797 239 S CA 0.096 58.307 58.200 0.020 0.000 0.822 239 S CB 0.227 63.443 63.200 0.027 0.000 0.810 239 S HN 0.996 nan 8.310 nan 0.000 0.629 240 A N 0.369 123.198 122.820 0.015 0.000 2.597 240 A HA 0.694 5.003 4.320 -0.018 0.000 0.292 240 A C 0.010 177.597 177.584 0.004 0.000 1.057 240 A CA -0.319 51.722 52.037 0.006 0.000 0.674 240 A CB 0.462 19.464 19.000 0.002 0.000 1.278 240 A HN 0.245 nan 8.150 nan 0.000 0.416 241 S N 0.622 116.315 115.700 -0.012 0.000 2.805 241 S HA 0.083 4.542 4.470 -0.018 0.000 0.230 241 S C 0.999 175.572 174.600 -0.045 0.000 0.968 241 S CA 1.373 59.555 58.200 -0.029 0.000 0.976 241 S CB -0.667 62.503 63.200 -0.051 0.000 0.787 241 S HN 1.307 nan 8.310 nan 0.000 0.533 242 T N -3.021 111.521 114.554 -0.020 0.000 3.567 242 T HA 0.223 4.562 4.350 -0.018 0.000 0.314 242 T C -0.801 173.909 174.700 0.016 0.000 0.942 242 T CA -0.591 61.499 62.100 -0.016 0.000 0.997 242 T CB 0.182 69.034 68.868 -0.028 0.000 1.205 242 T HN -0.097 nan 8.240 nan 0.000 0.518 243 D N 1.697 122.117 120.400 0.033 0.000 2.225 243 D HA 0.410 5.039 4.640 -0.018 0.000 0.248 243 D C 0.613 176.957 176.300 0.074 0.000 1.096 243 D CA -0.587 53.440 54.000 0.045 0.000 0.863 243 D CB 1.280 42.102 40.800 0.037 0.000 1.156 243 D HN 0.329 nan 8.370 nan 0.000 0.450 244 L N 2.451 123.717 121.223 0.072 0.000 3.844 244 L HA -0.278 4.051 4.340 -0.018 0.000 0.580 244 L C 1.897 178.847 176.870 0.135 0.000 1.156 244 L CA -0.237 54.665 54.840 0.103 0.000 0.848 244 L CB -0.134 41.997 42.059 0.119 0.000 1.283 244 L HN 0.580 nan 8.230 nan 0.000 0.803 245 Q N -0.139 119.716 119.800 0.093 0.000 2.181 245 Q HA -0.262 4.067 4.340 -0.018 0.000 0.205 245 Q C 1.351 177.403 176.000 0.086 0.000 0.980 245 Q CA 2.110 57.966 55.803 0.088 0.000 0.862 245 Q CB -0.328 28.442 28.738 0.054 0.000 0.905 245 Q HN 0.767 nan 8.270 nan 0.000 0.429 246 D N -0.095 120.339 120.400 0.056 0.000 2.203 246 D HA -0.192 4.437 4.640 -0.018 0.000 0.199 246 D C -0.097 176.113 176.300 -0.150 0.000 0.997 246 D CA 0.936 54.910 54.000 -0.043 0.000 0.863 246 D CB 0.002 40.776 40.800 -0.044 0.000 0.928 246 D HN 0.417 nan 8.370 nan 0.000 0.458 247 Y N -0.261 120.101 120.300 0.103 0.000 2.516 247 Y HA 0.231 4.770 4.550 -0.019 0.000 0.341 247 Y C -0.518 175.503 175.900 0.201 0.000 0.912 247 Y CA -0.466 57.725 58.100 0.151 0.000 1.167 247 Y CB 1.051 39.575 38.460 0.107 0.000 1.195 247 Y HN -0.293 nan 8.280 nan 0.000 0.610 248 T N -0.528 114.219 114.554 0.320 0.000 2.879 248 T HA 0.238 4.577 4.350 -0.018 0.000 0.290 248 T C -1.545 173.382 174.700 0.379 0.000 0.993 248 T CA -0.668 61.620 62.100 0.314 0.000 0.975 248 T CB 1.392 70.412 68.868 0.252 0.000 0.981 248 T HN 0.148 nan 8.240 nan 0.000 0.439 249 Y N 2.750 123.191 120.300 0.236 0.000 2.342 249 Y HA 0.393 4.931 4.550 -0.019 0.000 0.334 249 Y C -0.221 175.820 175.900 0.236 0.000 1.067 249 Y CA -1.501 56.727 58.100 0.214 0.000 1.128 249 Y CB 0.485 39.023 38.460 0.130 0.000 1.200 249 Y HN 0.661 nan 8.280 nan 0.000 0.464 250 Y N 8.199 128.206 120.300 -0.489 0.000 3.029 250 Y HA -0.365 4.174 4.550 -0.019 0.000 0.220 250 Y C 0.803 176.559 175.900 -0.239 0.000 1.079 250 Y CA 1.396 59.170 58.100 -0.543 0.000 0.772 250 Y CB -1.937 36.110 38.460 -0.688 0.000 1.094 250 Y HN 0.946 nan 8.280 nan 0.000 0.423 251 F N -4.235 115.771 119.950 0.093 0.000 2.552 251 F HA -0.377 4.139 4.527 -0.019 0.000 0.588 251 F C 0.852 176.722 175.800 0.117 0.000 0.507 251 F CA 0.242 58.261 58.000 0.031 0.000 1.012 251 F CB -1.299 37.603 39.000 -0.163 0.000 1.788 251 F HN -0.054 nan 8.300 nan 0.000 0.260 252 V N 3.440 123.577 119.914 0.371 0.000 2.572 252 V HA 0.142 4.251 4.120 -0.018 0.000 0.291 252 V C -1.622 174.592 176.094 0.199 0.000 1.039 252 V CA -1.019 61.432 62.300 0.252 0.000 1.055 252 V CB 0.672 32.604 31.823 0.181 0.000 0.969 252 V HN -0.135 nan 8.190 nan 0.000 0.482 253 P HA 0.271 nan 4.420 nan 0.000 0.281 253 P C 0.036 177.417 177.300 0.134 0.000 1.286 253 P CA 0.317 63.508 63.100 0.150 0.000 0.772 253 P CB 1.024 32.792 31.700 0.112 0.000 0.862 254 A N 5.083 128.029 122.820 0.210 0.000 2.362 254 A HA -0.149 4.160 4.320 -0.018 0.000 0.290 254 A C -1.517 176.152 177.584 0.141 0.000 1.441 254 A CA 0.169 52.355 52.037 0.249 0.000 0.743 254 A CB -2.197 16.903 19.000 0.167 0.000 1.125 254 A HN 0.409 nan 8.150 nan 0.000 0.378 255 P HA -0.081 nan 4.420 nan 0.000 0.219 255 P C 1.547 178.745 177.300 -0.169 0.000 1.154 255 P CA 1.233 64.195 63.100 -0.231 0.000 0.826 255 P CB -0.121 31.262 31.700 -0.528 0.000 0.795 256 W N -0.708 120.600 121.300 0.013 0.000 2.467 256 W HA 0.073 4.722 4.660 -0.018 0.000 0.275 256 W C 1.914 178.430 176.519 -0.005 0.000 1.239 256 W CA 0.026 57.366 57.345 -0.009 0.000 1.266 256 W CB -1.086 28.356 29.460 -0.030 0.000 1.112 256 W HN -0.014 nan 8.180 nan 0.000 0.576 257 L N 0.920 122.306 121.223 0.273 0.000 2.027 257 L HA -0.207 4.122 4.340 -0.018 0.000 0.206 257 L C 2.621 179.537 176.870 0.076 0.000 1.074 257 L CA 1.670 56.587 54.840 0.128 0.000 0.745 257 L CB -0.551 41.552 42.059 0.073 0.000 0.898 257 L HN -0.220 nan 8.230 nan 0.000 0.433 258 S N -1.019 114.719 115.700 0.063 0.000 2.359 258 S HA -0.225 4.234 4.470 -0.018 0.000 0.223 258 S C 1.893 176.514 174.600 0.035 0.000 1.039 258 S CA 1.552 59.774 58.200 0.036 0.000 1.042 258 S CB -0.674 62.537 63.200 0.018 0.000 0.915 258 S HN 0.290 nan 8.310 nan 0.000 0.439 259 V N 2.209 122.144 119.914 0.037 0.000 2.407 259 V HA -0.132 3.977 4.120 -0.018 0.000 0.248 259 V C 2.349 178.468 176.094 0.042 0.000 1.055 259 V CA 1.475 63.797 62.300 0.036 0.000 1.049 259 V CB -0.442 31.395 31.823 0.023 0.000 0.662 259 V HN 0.389 nan 8.190 nan 0.000 0.455 260 K N -0.364 120.070 120.400 0.056 0.000 2.217 260 K HA 0.004 4.313 4.320 -0.018 0.000 0.202 260 K C 1.935 178.538 176.600 0.005 0.000 1.051 260 K CA 1.024 57.328 56.287 0.029 0.000 0.952 260 K CB -0.250 32.270 32.500 0.034 0.000 0.736 260 K HN 0.403 nan 8.250 nan 0.000 0.453 261 L N 0.356 121.589 121.223 0.016 0.000 2.068 261 L HA -0.061 4.268 4.340 -0.018 0.000 0.204 261 L C 2.392 179.273 176.870 0.019 0.000 1.076 261 L CA 0.588 55.435 54.840 0.012 0.000 0.753 261 L CB -0.693 41.380 42.059 0.023 0.000 0.910 261 L HN -0.034 nan 8.230 nan 0.000 0.439 262 L N -0.058 121.185 121.223 0.032 0.000 2.011 262 L HA -0.330 3.999 4.340 -0.018 0.000 0.225 262 L C 2.905 179.788 176.870 0.022 0.000 1.084 262 L CA 1.616 56.483 54.840 0.044 0.000 0.791 262 L CB -0.446 41.641 42.059 0.047 0.000 0.898 262 L HN 0.234 nan 8.230 nan 0.000 0.440 263 R N -0.000 120.500 120.500 0.001 0.000 2.105 263 R HA -0.201 4.128 4.340 -0.018 0.000 0.239 263 R C 2.085 178.338 176.300 -0.078 0.000 1.135 263 R CA 1.542 57.622 56.100 -0.034 0.000 0.967 263 R CB -0.611 29.672 30.300 -0.028 0.000 0.861 263 R HN 0.321 nan 8.270 nan 0.000 0.442 264 L N -0.196 120.984 121.223 -0.072 0.000 2.201 264 L HA 0.015 4.344 4.340 -0.018 0.000 0.212 264 L C 1.578 178.360 176.870 -0.146 0.000 1.105 264 L CA 1.507 56.272 54.840 -0.125 0.000 0.775 264 L CB -0.054 41.949 42.059 -0.094 0.000 0.913 264 L HN 0.252 nan 8.230 nan 0.000 0.440 265 L N -1.118 120.084 121.223 -0.036 0.000 2.341 265 L HA -0.057 4.272 4.340 -0.018 0.000 0.214 265 L C 2.309 179.192 176.870 0.022 0.000 1.115 265 L CA 0.444 55.315 54.840 0.052 0.000 0.820 265 L CB -0.491 41.677 42.059 0.182 0.000 0.944 265 L HN 0.346 nan 8.230 nan 0.000 0.452 266 Q N -0.120 119.627 119.800 -0.087 0.000 2.508 266 Q HA -0.158 4.171 4.340 -0.018 0.000 0.214 266 Q C 2.165 177.800 176.000 -0.607 0.000 0.979 266 Q CA 1.371 56.965 55.803 -0.348 0.000 0.911 266 Q CB -0.226 28.354 28.738 -0.264 0.000 0.969 266 Q HN 0.741 nan 8.270 nan 0.000 0.504 267 C N -2.005 117.081 119.300 -0.356 0.000 2.696 267 C HA 0.213 4.662 4.460 -0.018 0.000 0.264 267 C C 0.304 175.253 174.990 -0.068 0.000 1.288 267 C CA -0.908 57.932 59.018 -0.297 0.000 1.717 267 C CB -0.909 26.622 27.740 -0.349 0.000 1.893 267 C HN 0.107 nan 8.230 nan 0.000 0.577 268 Y N 1.884 122.216 120.300 0.054 0.000 2.328 268 Y HA 0.547 5.086 4.550 -0.019 0.000 0.337 268 Y C -2.494 173.509 175.900 0.172 0.000 0.966 268 Y CA -3.610 54.558 58.100 0.113 0.000 1.136 268 Y CB 0.150 38.668 38.460 0.096 0.000 1.170 268 Y HN -0.020 nan 8.280 nan 0.000 0.470 269 P HA 0.107 nan 4.420 nan 0.000 0.271 269 P C -2.443 174.867 177.300 0.017 0.000 1.218 269 P CA -1.031 62.064 63.100 -0.009 0.000 0.780 269 P CB 0.066 31.780 31.700 0.023 0.000 0.901 270 P HA -0.149 nan 4.420 nan 0.000 0.235 270 P C -2.034 175.375 177.300 0.182 0.000 1.053 270 P CA 0.069 63.342 63.100 0.288 0.000 0.833 270 P CB -1.432 30.382 31.700 0.190 0.000 0.737 271 P HA -0.153 nan 4.420 nan 0.000 0.262 271 P C 1.015 178.347 177.300 0.053 0.000 1.151 271 P CA 0.840 64.012 63.100 0.120 0.000 0.757 271 P CB 0.824 32.593 31.700 0.114 0.000 0.754 272 E N 1.552 121.764 120.200 0.020 0.000 2.179 272 E HA -0.084 4.255 4.350 -0.018 0.000 0.236 272 E C 0.164 176.766 176.600 0.003 0.000 0.843 272 E CA -0.124 56.278 56.400 0.003 0.000 1.245 272 E CB -0.367 29.323 29.700 -0.017 0.000 1.113 272 E HN 0.539 nan 8.360 nan 0.000 0.548 273 D N 1.798 122.196 120.400 -0.002 0.000 3.683 273 D HA -0.123 4.506 4.640 -0.018 0.000 0.201 273 D C -1.742 174.559 176.300 0.002 0.000 1.100 273 D CA -0.278 53.721 54.000 -0.001 0.000 0.742 273 D CB 0.677 41.477 40.800 -0.001 0.000 1.168 273 D HN -0.011 nan 8.370 nan 0.000 0.585 274 P HA 0.070 nan 4.420 nan 0.000 0.240 274 P C 0.842 178.138 177.300 -0.006 0.000 1.190 274 P CA 0.447 63.544 63.100 -0.005 0.000 0.781 274 P CB 0.243 31.939 31.700 -0.006 0.000 0.931 275 A N 0.321 123.139 122.820 -0.003 0.000 1.969 275 A HA -0.068 4.241 4.320 -0.018 0.000 0.218 275 A C 2.261 179.845 177.584 -0.000 0.000 1.169 275 A CA 1.496 53.532 52.037 -0.002 0.000 0.635 275 A CB -1.517 17.483 19.000 0.001 0.000 0.810 275 A HN 0.045 nan 8.150 nan 0.000 0.445 276 V N 0.338 120.255 119.914 0.005 0.000 2.237 276 V HA -0.238 3.871 4.120 -0.018 0.000 0.245 276 V C 2.682 178.778 176.094 0.003 0.000 1.046 276 V CA 2.063 64.370 62.300 0.012 0.000 1.007 276 V CB -0.881 30.955 31.823 0.022 0.000 0.638 276 V HN 0.598 nan 8.190 nan 0.000 0.445 277 R N 0.792 121.290 120.500 -0.003 0.000 2.117 277 R HA -0.171 4.158 4.340 -0.018 0.000 0.243 277 R C 2.277 178.553 176.300 -0.041 0.000 1.143 277 R CA 1.951 58.036 56.100 -0.026 0.000 0.968 277 R CB -1.076 29.209 30.300 -0.024 0.000 0.863 277 R HN 0.568 nan 8.270 nan 0.000 0.444 278 G N 0.949 109.733 108.800 -0.027 0.000 2.511 278 G HA2 -0.271 3.678 3.960 -0.018 0.000 0.216 278 G HA3 -0.271 3.678 3.960 -0.018 0.000 0.216 278 G C 1.629 176.513 174.900 -0.026 0.000 1.218 278 G CA 0.513 45.597 45.100 -0.027 0.000 0.788 278 G HN 0.281 nan 8.290 nan 0.000 0.560 279 R N -0.202 120.289 120.500 -0.015 0.000 2.083 279 R HA -0.090 4.239 4.340 -0.018 0.000 0.237 279 R C 2.647 178.937 176.300 -0.016 0.000 1.137 279 R CA 1.531 57.625 56.100 -0.010 0.000 0.951 279 R CB -0.794 29.507 30.300 0.001 0.000 0.851 279 R HN 0.433 nan 8.270 nan 0.000 0.434 280 L N 0.974 122.185 121.223 -0.021 0.000 1.997 280 L HA -0.244 4.085 4.340 -0.018 0.000 0.216 280 L C 2.039 178.873 176.870 -0.059 0.000 1.074 280 L CA 2.496 57.315 54.840 -0.035 0.000 0.763 280 L CB -0.969 41.060 42.059 -0.050 0.000 0.890 280 L HN 0.190 nan 8.230 nan 0.000 0.434 281 T N -0.871 113.637 114.554 -0.077 0.000 2.545 281 T HA -0.263 4.076 4.350 -0.018 0.000 0.261 281 T C 1.592 176.261 174.700 -0.051 0.000 1.097 281 T CA 1.569 63.622 62.100 -0.078 0.000 1.189 281 T CB -0.906 67.915 68.868 -0.078 0.000 0.863 281 T HN 0.515 nan 8.240 nan 0.000 0.405 282 E N 0.253 120.429 120.200 -0.039 0.000 2.245 282 E HA -0.286 4.053 4.350 -0.018 0.000 0.217 282 E C 2.478 179.064 176.600 -0.023 0.000 1.069 282 E CA 1.605 57.988 56.400 -0.027 0.000 0.877 282 E CB -0.595 29.093 29.700 -0.020 0.000 0.757 282 E HN 0.653 nan 8.360 nan 0.000 0.464 283 C N 0.323 119.610 119.300 -0.022 0.000 2.587 283 C HA -0.011 4.438 4.460 -0.018 0.000 0.282 283 C C 2.492 177.472 174.990 -0.017 0.000 1.277 283 C CA 0.428 59.438 59.018 -0.014 0.000 1.702 283 C CB -1.089 26.647 27.740 -0.006 0.000 2.113 283 C HN 0.438 nan 8.230 nan 0.000 0.490 284 L N 1.247 122.456 121.223 -0.023 0.000 2.054 284 L HA -0.293 4.036 4.340 -0.018 0.000 0.220 284 L C 2.801 179.653 176.870 -0.030 0.000 1.081 284 L CA 2.549 57.373 54.840 -0.026 0.000 0.780 284 L CB -0.988 41.046 42.059 -0.042 0.000 0.893 284 L HN 0.558 nan 8.230 nan 0.000 0.438 285 E N -0.575 119.604 120.200 -0.035 0.000 2.035 285 E HA -0.260 4.079 4.350 -0.018 0.000 0.204 285 E C 1.967 178.551 176.600 -0.026 0.000 1.025 285 E CA 2.104 58.484 56.400 -0.033 0.000 0.835 285 E CB -0.442 29.239 29.700 -0.032 0.000 0.764 285 E HN 0.532 nan 8.360 nan 0.000 0.457 286 T N 1.915 116.457 114.554 -0.019 0.000 2.536 286 T HA -0.254 4.085 4.350 -0.018 0.000 0.263 286 T C 2.053 176.746 174.700 -0.012 0.000 1.115 286 T CA 1.911 64.004 62.100 -0.012 0.000 1.180 286 T CB -0.616 68.248 68.868 -0.006 0.000 0.864 286 T HN 0.125 nan 8.240 nan 0.000 0.419 287 I N 0.642 121.205 120.570 -0.012 0.000 2.091 287 I HA -0.278 3.881 4.170 -0.018 0.000 0.240 287 I C 2.423 178.523 176.117 -0.028 0.000 1.046 287 I CA 1.502 62.793 61.300 -0.014 0.000 1.306 287 I CB -0.545 37.447 38.000 -0.013 0.000 1.018 287 I HN 0.185 nan 8.210 nan 0.000 0.404 288 L N 0.315 121.516 121.223 -0.037 0.000 1.997 288 L HA -0.320 4.009 4.340 -0.018 0.000 0.216 288 L C 2.265 179.105 176.870 -0.050 0.000 1.074 288 L CA 2.004 56.812 54.840 -0.054 0.000 0.763 288 L CB -0.758 41.270 42.059 -0.052 0.000 0.890 288 L HN 0.349 nan 8.230 nan 0.000 0.434 289 N N -0.737 117.943 118.700 -0.034 0.000 2.309 289 N HA -0.166 4.563 4.740 -0.018 0.000 0.182 289 N C 1.764 177.264 175.510 -0.015 0.000 1.018 289 N CA 0.921 53.955 53.050 -0.026 0.000 0.876 289 N CB 0.031 38.506 38.487 -0.020 0.000 0.972 289 N HN 0.379 nan 8.380 nan 0.000 0.434 290 K N 1.090 121.485 120.400 -0.008 0.000 2.103 290 K HA 0.042 4.350 4.320 -0.018 0.000 0.204 290 K C 2.145 178.751 176.600 0.010 0.000 1.052 290 K CA 0.846 57.139 56.287 0.010 0.000 0.945 290 K CB -0.030 32.483 32.500 0.021 0.000 0.722 290 K HN 0.072 nan 8.250 nan 0.000 0.443 291 A N 1.344 124.156 122.820 -0.014 0.000 1.940 291 A HA -0.277 4.032 4.320 -0.018 0.000 0.219 291 A C 1.994 179.560 177.584 -0.029 0.000 1.176 291 A CA 1.456 53.478 52.037 -0.024 0.000 0.631 291 A CB -0.510 18.447 19.000 -0.072 0.000 0.814 291 A HN 0.323 nan 8.150 nan 0.000 0.446 292 Q N -0.016 119.759 119.800 -0.041 0.000 2.047 292 Q HA -0.248 4.081 4.340 -0.018 0.000 0.211 292 Q C 1.341 177.338 176.000 -0.004 0.000 1.005 292 Q CA 1.850 57.633 55.803 -0.033 0.000 0.866 292 Q CB -0.310 28.411 28.738 -0.029 0.000 0.938 292 Q HN 0.806 nan 8.270 nan 0.000 0.414 293 E N 0.188 120.396 120.200 0.013 0.000 4.491 293 E HA -0.126 4.213 4.350 -0.018 0.000 0.579 293 E C -1.992 174.636 176.600 0.046 0.000 1.456 293 E CA 0.212 56.629 56.400 0.030 0.000 3.929 293 E CB -0.318 29.407 29.700 0.042 0.000 1.222 293 E HN 0.285 nan 8.360 nan 0.000 0.316 294 P HA 0.322 nan 4.420 nan 0.000 0.328 294 P C -2.805 174.575 177.300 0.133 0.000 1.359 294 P CA -1.743 61.407 63.100 0.082 0.000 1.283 294 P CB 1.157 32.891 31.700 0.056 0.000 2.072 295 P HA 0.058 nan 4.420 nan 0.000 0.259 295 P C 0.288 177.680 177.300 0.154 0.000 1.163 295 P CA 0.506 63.746 63.100 0.233 0.000 0.760 295 P CB 0.258 32.059 31.700 0.168 0.000 0.762 296 K N 0.360 120.813 120.400 0.089 0.000 2.367 296 K HA 0.188 4.497 4.320 -0.018 0.000 0.194 296 K C 0.446 177.049 176.600 0.006 0.000 1.027 296 K CA 0.236 56.502 56.287 -0.036 0.000 1.075 296 K CB 0.494 32.957 32.500 -0.062 0.000 0.845 296 K HN 0.298 nan 8.250 nan 0.000 0.529 297 S N -0.227 115.390 115.700 -0.139 0.000 2.566 297 S HA 0.252 4.711 4.470 -0.018 0.000 0.273 297 S C -0.273 174.329 174.600 0.003 0.000 1.157 297 S CA -0.754 57.376 58.200 -0.116 0.000 0.938 297 S CB 1.042 63.916 63.200 -0.543 0.000 1.087 297 S HN -0.024 nan 8.310 nan 0.000 0.474 298 K N 2.082 122.480 120.400 -0.004 0.000 2.442 298 K HA 0.037 4.346 4.320 -0.018 0.000 0.198 298 K C 0.089 176.704 176.600 0.024 0.000 1.044 298 K CA 0.883 57.185 56.287 0.025 0.000 0.948 298 K CB -0.046 32.460 32.500 0.011 0.000 0.762 298 K HN 0.374 nan 8.250 nan 0.000 0.472 299 K N 0.549 120.935 120.400 -0.023 0.000 2.339 299 K HA 0.014 4.323 4.320 -0.018 0.000 0.286 299 K C 1.005 177.663 176.600 0.097 0.000 1.050 299 K CA -0.177 56.116 56.287 0.009 0.000 0.956 299 K CB 1.440 33.883 32.500 -0.096 0.000 0.990 299 K HN -0.180 nan 8.250 nan 0.000 0.475 300 V N 3.835 123.801 119.914 0.087 0.000 2.380 300 V HA -0.356 3.753 4.120 -0.018 0.000 0.251 300 V C 1.468 177.603 176.094 0.068 0.000 1.063 300 V CA 1.983 64.325 62.300 0.070 0.000 1.055 300 V CB -0.163 31.689 31.823 0.048 0.000 0.657 300 V HN 0.797 nan 8.190 nan 0.000 0.455 301 Q N -0.328 119.533 119.800 0.103 0.000 2.061 301 Q HA -0.239 4.090 4.340 -0.018 0.000 0.204 301 Q C 2.039 178.082 176.000 0.072 0.000 0.984 301 Q CA 2.391 58.234 55.803 0.067 0.000 0.846 301 Q CB -0.651 28.014 28.738 -0.122 0.000 0.902 301 Q HN 0.987 nan 8.270 nan 0.000 0.421 302 H N 0.190 119.279 119.070 0.032 0.000 2.265 302 H HA -0.166 4.379 4.556 -0.018 0.000 0.295 302 H C 2.148 177.492 175.328 0.026 0.000 1.084 302 H CA 2.331 58.380 56.048 0.001 0.000 1.261 302 H CB -0.708 29.013 29.762 -0.068 0.000 1.360 302 H HN 0.214 nan 8.280 nan 0.000 0.487 303 S N -0.025 115.456 115.700 -0.365 0.000 2.380 303 S HA -0.326 4.133 4.470 -0.018 0.000 0.229 303 S C 2.095 176.556 174.600 -0.232 0.000 1.050 303 S CA 2.009 60.007 58.200 -0.337 0.000 1.100 303 S CB -0.541 62.614 63.200 -0.075 0.000 0.984 303 S HN 0.669 nan 8.310 nan 0.000 0.434 304 N N 2.248 120.878 118.700 -0.116 0.000 2.013 304 N HA -0.026 4.703 4.740 -0.018 0.000 0.195 304 N C 2.165 177.618 175.510 -0.095 0.000 1.051 304 N CA 1.664 54.664 53.050 -0.082 0.000 0.851 304 N CB -1.543 36.921 38.487 -0.039 0.000 1.044 304 N HN 0.593 nan 8.380 nan 0.000 0.422 305 A N 1.447 124.220 122.820 -0.077 0.000 1.893 305 A HA -0.339 3.970 4.320 -0.018 0.000 0.222 305 A C 2.154 179.649 177.584 -0.148 0.000 1.309 305 A CA 2.493 54.437 52.037 -0.156 0.000 0.681 305 A CB -1.043 17.923 19.000 -0.057 0.000 0.842 305 A HN 0.399 nan 8.150 nan 0.000 0.468 306 K N -0.919 119.394 120.400 -0.145 0.000 2.015 306 K HA -0.251 4.058 4.320 -0.018 0.000 0.220 306 K C 1.947 178.495 176.600 -0.086 0.000 1.055 306 K CA 2.036 58.252 56.287 -0.118 0.000 0.951 306 K CB -0.302 32.094 32.500 -0.172 0.000 0.725 306 K HN 0.609 nan 8.250 nan 0.000 0.449 307 N N 0.273 118.921 118.700 -0.086 0.000 2.205 307 N HA -0.193 4.535 4.740 -0.018 0.000 0.186 307 N C 1.688 177.226 175.510 0.047 0.000 1.015 307 N CA 1.246 54.267 53.050 -0.048 0.000 0.862 307 N CB -0.325 38.129 38.487 -0.054 0.000 0.986 307 N HN 0.298 nan 8.380 nan 0.000 0.429 308 A N 1.363 124.199 122.820 0.027 0.000 1.859 308 A HA -0.141 4.167 4.320 -0.018 0.000 0.217 308 A C 2.615 180.227 177.584 0.048 0.000 1.198 308 A CA 1.752 53.819 52.037 0.051 0.000 0.629 308 A CB -1.035 17.916 19.000 -0.081 0.000 0.830 308 A HN 0.095 nan 8.150 nan 0.000 0.446 309 V N -0.129 119.770 119.914 -0.026 0.000 2.231 309 V HA -0.298 3.811 4.120 -0.018 0.000 0.248 309 V C 2.515 178.615 176.094 0.010 0.000 1.054 309 V CA 2.228 64.521 62.300 -0.011 0.000 1.015 309 V CB -1.015 30.790 31.823 -0.030 0.000 0.638 309 V HN 0.639 nan 8.190 nan 0.000 0.444 310 L N -0.336 120.868 121.223 -0.031 0.000 2.010 310 L HA -0.265 4.064 4.340 -0.018 0.000 0.219 310 L C 2.200 179.029 176.870 -0.069 0.000 1.077 310 L CA 2.309 57.098 54.840 -0.084 0.000 0.773 310 L CB -0.752 41.210 42.059 -0.162 0.000 0.892 310 L HN 0.273 nan 8.230 nan 0.000 0.436 311 F N -0.309 119.671 119.950 0.050 0.000 2.095 311 F HA -0.270 4.245 4.527 -0.019 0.000 0.298 311 F C 2.621 178.439 175.800 0.030 0.000 1.104 311 F CA 1.655 59.682 58.000 0.046 0.000 1.232 311 F CB -0.303 38.714 39.000 0.028 0.000 0.987 311 F HN 0.196 nan 8.300 nan 0.000 0.475 312 E N 0.307 120.633 120.200 0.210 0.000 2.153 312 E HA -0.169 4.170 4.350 -0.018 0.000 0.194 312 E C 2.087 178.748 176.600 0.101 0.000 0.988 312 E CA 1.088 57.563 56.400 0.125 0.000 0.811 312 E CB -0.228 29.520 29.700 0.080 0.000 0.746 312 E HN 0.321 nan 8.360 nan 0.000 0.466 313 A N 0.576 123.442 122.820 0.077 0.000 1.851 313 A HA -0.208 4.101 4.320 -0.018 0.000 0.216 313 A C 2.242 179.868 177.584 0.071 0.000 1.195 313 A CA 1.623 53.695 52.037 0.058 0.000 0.622 313 A CB -0.932 18.081 19.000 0.022 0.000 0.831 313 A HN 0.334 nan 8.150 nan 0.000 0.444 314 I N 0.448 121.058 120.570 0.067 0.000 2.103 314 I HA -0.398 3.761 4.170 -0.018 0.000 0.241 314 I C 2.833 179.015 176.117 0.108 0.000 1.036 314 I CA 2.149 63.496 61.300 0.078 0.000 1.300 314 I CB -0.228 37.839 38.000 0.112 0.000 1.010 314 I HN 0.379 nan 8.210 nan 0.000 0.406 315 S N 0.426 116.204 115.700 0.131 0.000 2.368 315 S HA -0.277 4.182 4.470 -0.018 0.000 0.226 315 S C 1.885 176.575 174.600 0.150 0.000 1.044 315 S CA 1.794 60.069 58.200 0.125 0.000 1.062 315 S CB -0.798 62.464 63.200 0.104 0.000 0.931 315 S HN 0.360 nan 8.310 nan 0.000 0.440 316 L N 1.747 123.066 121.223 0.160 0.000 2.013 316 L HA -0.096 4.233 4.340 -0.018 0.000 0.212 316 L C 2.044 179.101 176.870 0.311 0.000 1.073 316 L CA 1.509 56.501 54.840 0.253 0.000 0.753 316 L CB -0.699 41.500 42.059 0.234 0.000 0.890 316 L HN 0.247 nan 8.230 nan 0.000 0.432 317 I N -0.686 119.989 120.570 0.174 0.000 2.181 317 I HA -0.387 3.772 4.170 -0.018 0.000 0.247 317 I C 2.195 178.381 176.117 0.115 0.000 1.081 317 I CA 2.015 63.380 61.300 0.109 0.000 1.340 317 I CB -0.412 37.613 38.000 0.041 0.000 1.036 317 I HN 0.282 nan 8.210 nan 0.000 0.417 318 I N -0.870 119.775 120.570 0.124 0.000 2.235 318 I HA -0.259 3.900 4.170 -0.018 0.000 0.241 318 I C 2.635 178.820 176.117 0.114 0.000 1.085 318 I CA 1.450 62.815 61.300 0.108 0.000 1.378 318 I CB -0.828 37.233 38.000 0.101 0.000 1.076 318 I HN 0.197 nan 8.210 nan 0.000 0.415 319 H N 0.666 119.768 119.070 0.054 0.000 2.394 319 H HA -0.279 4.266 4.556 -0.019 0.000 0.297 319 H C 2.161 177.465 175.328 -0.040 0.000 1.113 319 H CA 2.280 58.327 56.048 -0.001 0.000 1.277 319 H CB -0.355 29.385 29.762 -0.037 0.000 1.370 319 H HN 0.428 nan 8.280 nan 0.000 0.506 320 H N -0.559 118.364 119.070 -0.246 0.000 2.326 320 H HA -0.037 4.508 4.556 -0.019 0.000 0.301 320 H C 0.936 176.166 175.328 -0.164 0.000 1.081 320 H CA 1.404 57.294 56.048 -0.264 0.000 1.334 320 H CB -0.043 29.642 29.762 -0.130 0.000 1.385 320 H HN 0.422 nan 8.280 nan 0.000 0.504 321 D N -1.421 118.994 120.400 0.026 0.000 2.997 321 D HA -0.220 4.409 4.640 -0.018 0.000 0.226 321 D C 1.263 177.499 176.300 -0.107 0.000 1.189 321 D CA 1.065 55.061 54.000 -0.008 0.000 0.834 321 D CB -0.902 39.951 40.800 0.088 0.000 1.105 321 D HN 0.505 nan 8.370 nan 0.000 0.415 322 S N -1.495 114.153 115.700 -0.087 0.000 2.503 322 S HA 0.087 4.546 4.470 -0.018 0.000 0.217 322 S C 0.633 175.085 174.600 -0.247 0.000 0.999 322 S CA -0.082 58.040 58.200 -0.130 0.000 0.914 322 S CB 0.554 63.734 63.200 -0.033 0.000 0.782 322 S HN 0.162 nan 8.310 nan 0.000 0.520 323 E N 2.328 122.362 120.200 -0.276 0.000 2.092 323 E HA 0.422 4.761 4.350 -0.018 0.000 0.271 323 E C -2.055 174.308 176.600 -0.396 0.000 0.919 323 E CA -2.480 53.750 56.400 -0.284 0.000 0.760 323 E CB 1.896 31.486 29.700 -0.184 0.000 1.106 323 E HN 0.179 nan 8.360 nan 0.000 0.408 324 P HA -0.085 nan 4.420 nan 0.000 0.213 324 P C 0.995 178.226 177.300 -0.115 0.000 1.169 324 P CA 0.808 63.687 63.100 -0.368 0.000 0.885 324 P CB 0.240 31.831 31.700 -0.182 0.000 0.779 325 N N -0.092 118.558 118.700 -0.084 0.000 2.021 325 N HA -0.190 4.539 4.740 -0.018 0.000 0.198 325 N C 1.841 177.323 175.510 -0.046 0.000 1.041 325 N CA 1.601 54.624 53.050 -0.045 0.000 0.862 325 N CB -1.093 37.367 38.487 -0.045 0.000 1.048 325 N HN -0.160 nan 8.380 nan 0.000 0.427 326 L N 0.248 121.429 121.223 -0.068 0.000 1.978 326 L HA -0.222 4.107 4.340 -0.018 0.000 0.218 326 L C 2.469 179.314 176.870 -0.041 0.000 1.075 326 L CA 1.690 56.494 54.840 -0.060 0.000 0.767 326 L CB -1.300 40.711 42.059 -0.080 0.000 0.890 326 L HN 0.418 nan 8.230 nan 0.000 0.434 327 L N -1.128 120.066 121.223 -0.047 0.000 1.990 327 L HA -0.282 4.047 4.340 -0.018 0.000 0.213 327 L C 2.581 179.462 176.870 0.018 0.000 1.072 327 L CA 1.194 56.032 54.840 -0.004 0.000 0.755 327 L CB -0.578 41.486 42.059 0.009 0.000 0.889 327 L HN 0.065 nan 8.230 nan 0.000 0.432 328 V N -0.283 119.644 119.914 0.022 0.000 2.324 328 V HA -0.336 3.773 4.120 -0.018 0.000 0.250 328 V C 2.582 178.684 176.094 0.014 0.000 1.060 328 V CA 1.941 64.261 62.300 0.034 0.000 1.042 328 V CB -0.677 31.168 31.823 0.036 0.000 0.650 328 V HN 0.436 nan 8.190 nan 0.000 0.450 329 R N -0.158 120.337 120.500 -0.009 0.000 2.115 329 R HA -0.039 4.290 4.340 -0.018 0.000 0.230 329 R C 2.400 178.675 176.300 -0.041 0.000 1.111 329 R CA 1.237 57.321 56.100 -0.026 0.000 0.976 329 R CB -0.503 29.774 30.300 -0.038 0.000 0.870 329 R HN 0.550 nan 8.270 nan 0.000 0.445 330 A N 0.954 123.756 122.820 -0.030 0.000 1.873 330 A HA -0.210 4.099 4.320 -0.018 0.000 0.215 330 A C 2.414 179.978 177.584 -0.034 0.000 1.186 330 A CA 1.444 53.460 52.037 -0.035 0.000 0.616 330 A CB -1.068 17.930 19.000 -0.004 0.000 0.823 330 A HN 0.516 nan 8.150 nan 0.000 0.442 331 C N 0.044 119.341 119.300 -0.005 0.000 2.367 331 C HA -0.208 4.241 4.460 -0.018 0.000 0.276 331 C C 2.580 177.559 174.990 -0.018 0.000 1.195 331 C CA 1.894 60.908 59.018 -0.006 0.000 1.756 331 C CB -1.659 26.106 27.740 0.043 0.000 2.046 331 C HN 0.657 nan 8.230 nan 0.000 0.453 332 N N 0.214 118.920 118.700 0.011 0.000 2.132 332 N HA -0.175 4.553 4.740 -0.018 0.000 0.191 332 N C 1.701 177.173 175.510 -0.062 0.000 1.015 332 N CA 1.897 54.957 53.050 0.018 0.000 0.864 332 N CB -0.579 37.907 38.487 -0.001 0.000 1.006 332 N HN 0.762 nan 8.380 nan 0.000 0.430 333 Q N 0.550 120.262 119.800 -0.146 0.000 2.008 333 Q HA 0.136 4.465 4.340 -0.018 0.000 0.196 333 Q C 2.015 177.776 176.000 -0.399 0.000 0.973 333 Q CA 0.945 56.560 55.803 -0.312 0.000 0.826 333 Q CB -0.480 28.052 28.738 -0.343 0.000 0.894 333 Q HN 0.313 nan 8.270 nan 0.000 0.439 334 L N 0.118 121.199 121.223 -0.238 0.000 2.197 334 L HA -0.230 4.099 4.340 -0.018 0.000 0.215 334 L C 2.105 178.943 176.870 -0.053 0.000 1.095 334 L CA 1.303 56.111 54.840 -0.054 0.000 0.764 334 L CB -0.957 41.108 42.059 0.010 0.000 0.897 334 L HN 0.498 nan 8.230 nan 0.000 0.436 335 G N -1.189 107.531 108.800 -0.134 0.000 2.464 335 G HA2 -0.308 3.641 3.960 -0.018 0.000 0.214 335 G HA3 -0.308 3.641 3.960 -0.018 0.000 0.214 335 G C 1.361 176.296 174.900 0.058 0.000 1.218 335 G CA 0.408 45.444 45.100 -0.107 0.000 0.794 335 G HN 0.215 nan 8.290 nan 0.000 0.542 336 Q N 0.188 119.993 119.800 0.009 0.000 2.156 336 Q HA -0.108 4.221 4.340 -0.018 0.000 0.211 336 Q C 2.203 178.288 176.000 0.141 0.000 0.995 336 Q CA 1.462 57.273 55.803 0.013 0.000 0.877 336 Q CB -0.672 28.005 28.738 -0.102 0.000 0.920 336 Q HN 0.663 nan 8.270 nan 0.000 0.416 337 F N -0.784 119.221 119.950 0.092 0.000 2.333 337 F HA -0.151 4.365 4.527 -0.019 0.000 0.300 337 F C 1.506 177.400 175.800 0.158 0.000 1.083 337 F CA -0.048 58.046 58.000 0.156 0.000 1.395 337 F CB 0.022 39.099 39.000 0.129 0.000 1.056 337 F HN 0.078 nan 8.300 nan 0.000 0.529 338 L N -0.551 120.848 121.223 0.292 0.000 2.549 338 L HA -0.165 4.164 4.340 -0.018 0.000 0.229 338 L C 1.224 178.194 176.870 0.167 0.000 1.158 338 L CA 1.034 55.989 54.840 0.191 0.000 0.842 338 L CB -0.429 41.701 42.059 0.118 0.000 0.952 338 L HN 0.210 nan 8.230 nan 0.000 0.452 339 Q N -1.818 118.091 119.800 0.181 0.000 2.135 339 Q HA 0.135 4.464 4.340 -0.018 0.000 0.231 339 Q C -0.074 176.004 176.000 0.130 0.000 0.817 339 Q CA -0.217 55.663 55.803 0.129 0.000 1.073 339 Q CB 0.624 29.417 28.738 0.092 0.000 1.176 339 Q HN 0.350 nan 8.270 nan 0.000 0.478 340 H N 2.376 121.510 119.070 0.106 0.000 2.897 340 H HA 0.014 4.559 4.556 -0.019 0.000 0.347 340 H C 1.262 176.621 175.328 0.051 0.000 1.068 340 H CA 0.832 56.933 56.048 0.089 0.000 1.426 340 H CB 0.770 30.573 29.762 0.069 0.000 1.410 340 H HN 0.269 nan 8.280 nan 0.000 0.597 341 R N 3.045 123.569 120.500 0.040 0.000 2.122 341 R HA -0.216 4.113 4.340 -0.018 0.000 0.236 341 R C 0.579 177.006 176.300 0.212 0.000 1.129 341 R CA 1.258 57.427 56.100 0.115 0.000 0.925 341 R CB -0.972 29.358 30.300 0.049 0.000 0.850 341 R HN 0.574 nan 8.270 nan 0.000 0.431 342 E N 1.129 121.553 120.200 0.374 0.000 2.829 342 E HA -0.126 4.213 4.350 -0.018 0.000 0.264 342 E C 0.193 176.823 176.600 0.050 0.000 0.922 342 E CA 0.982 57.462 56.400 0.134 0.000 0.960 342 E CB 0.719 30.358 29.700 -0.102 0.000 0.918 342 E HN 0.244 nan 8.360 nan 0.000 0.497 343 T N 4.011 118.567 114.554 0.003 0.000 2.976 343 T HA -0.030 4.309 4.350 -0.018 0.000 0.257 343 T C 1.170 175.855 174.700 -0.025 0.000 1.051 343 T CA 0.561 62.662 62.100 0.002 0.000 1.141 343 T CB -0.049 68.815 68.868 -0.007 0.000 0.881 343 T HN 0.420 nan 8.240 nan 0.000 0.461 344 N N 1.827 120.478 118.700 -0.082 0.000 2.137 344 N HA -0.056 4.673 4.740 -0.018 0.000 0.190 344 N C 1.842 177.309 175.510 -0.071 0.000 1.017 344 N CA 1.026 54.020 53.050 -0.093 0.000 0.859 344 N CB -0.404 38.011 38.487 -0.120 0.000 1.002 344 N HN 0.353 nan 8.380 nan 0.000 0.428 345 L N 1.005 122.120 121.223 -0.180 0.000 2.027 345 L HA -0.082 4.247 4.340 -0.018 0.000 0.206 345 L C 2.617 179.442 176.870 -0.075 0.000 1.074 345 L CA 0.921 55.595 54.840 -0.278 0.000 0.745 345 L CB -0.282 41.316 42.059 -0.769 0.000 0.898 345 L HN 0.109 nan 8.230 nan 0.000 0.433 346 R N -0.683 119.828 120.500 0.017 0.000 2.115 346 R HA -0.280 4.049 4.340 -0.018 0.000 0.239 346 R C 2.310 178.669 176.300 0.098 0.000 1.133 346 R CA 2.457 58.620 56.100 0.105 0.000 0.935 346 R CB -0.988 29.381 30.300 0.115 0.000 0.853 346 R HN 0.331 nan 8.270 nan 0.000 0.433 347 Y N 1.552 121.822 120.300 -0.050 0.000 2.070 347 Y HA -0.248 4.291 4.550 -0.018 0.000 0.280 347 Y C 2.204 178.034 175.900 -0.117 0.000 1.148 347 Y CA 1.612 59.671 58.100 -0.068 0.000 1.125 347 Y CB -0.492 37.925 38.460 -0.071 0.000 0.975 347 Y HN -0.021 nan 8.280 nan 0.000 0.492 348 L N 0.373 121.617 121.223 0.035 0.000 2.085 348 L HA -0.403 3.926 4.340 -0.018 0.000 0.218 348 L C 2.792 179.463 176.870 -0.333 0.000 1.080 348 L CA 1.526 56.147 54.840 -0.366 0.000 0.776 348 L CB -0.935 40.731 42.059 -0.654 0.000 0.891 348 L HN 0.552 nan 8.230 nan 0.000 0.437 349 A N -0.405 122.455 122.820 0.067 0.000 1.858 349 A HA -0.186 4.123 4.320 -0.018 0.000 0.216 349 A C 2.192 179.816 177.584 0.066 0.000 1.190 349 A CA 1.469 53.670 52.037 0.274 0.000 0.617 349 A CB -0.682 18.526 19.000 0.347 0.000 0.827 349 A HN 0.354 nan 8.150 nan 0.000 0.443 350 L N -0.708 120.502 121.223 -0.021 0.000 1.956 350 L HA -0.293 4.036 4.340 -0.018 0.000 0.216 350 L C 2.775 179.568 176.870 -0.129 0.000 1.073 350 L CA 2.236 57.030 54.840 -0.078 0.000 0.762 350 L CB -0.673 41.321 42.059 -0.109 0.000 0.889 350 L HN 0.648 nan 8.230 nan 0.000 0.433 351 E N -0.351 119.694 120.200 -0.259 0.000 2.086 351 E HA -0.336 4.003 4.350 -0.018 0.000 0.205 351 E C 2.249 178.777 176.600 -0.119 0.000 1.027 351 E CA 2.210 58.462 56.400 -0.246 0.000 0.830 351 E CB -0.104 29.374 29.700 -0.369 0.000 0.751 351 E HN 0.382 nan 8.360 nan 0.000 0.456 352 S N 0.007 115.655 115.700 -0.086 0.000 2.351 352 S HA -0.220 4.239 4.470 -0.018 0.000 0.220 352 S C 2.143 176.772 174.600 0.049 0.000 1.035 352 S CA 1.801 60.015 58.200 0.023 0.000 1.031 352 S CB -0.382 62.931 63.200 0.188 0.000 0.928 352 S HN 0.436 nan 8.310 nan 0.000 0.433 353 M N 0.534 120.165 119.600 0.050 0.000 2.144 353 M HA -0.154 4.315 4.480 -0.018 0.000 0.260 353 M C 2.431 178.740 176.300 0.015 0.000 1.067 353 M CA 1.847 57.160 55.300 0.021 0.000 1.095 353 M CB -0.632 31.955 32.600 -0.022 0.000 1.365 353 M HN 0.674 nan 8.290 nan 0.000 0.406 354 C N 0.261 119.561 119.300 0.001 0.000 2.440 354 C HA -0.206 4.243 4.460 -0.018 0.000 0.282 354 C C 2.584 177.590 174.990 0.026 0.000 1.223 354 C CA 2.132 61.158 59.018 0.012 0.000 1.744 354 C CB -1.163 26.574 27.740 -0.004 0.000 2.061 354 C HN 0.651 nan 8.230 nan 0.000 0.456 355 T N 1.336 115.900 114.554 0.018 0.000 2.684 355 T HA -0.279 4.060 4.350 -0.018 0.000 0.267 355 T C 1.630 176.361 174.700 0.052 0.000 1.032 355 T CA 1.989 64.109 62.100 0.034 0.000 1.155 355 T CB -0.598 68.292 68.868 0.036 0.000 0.857 355 T HN 0.633 nan 8.240 nan 0.000 0.457 356 L N 0.806 122.063 121.223 0.056 0.000 1.943 356 L HA -0.180 4.149 4.340 -0.018 0.000 0.215 356 L C 2.833 179.746 176.870 0.071 0.000 1.074 356 L CA 1.849 56.729 54.840 0.067 0.000 0.759 356 L CB -0.914 41.183 42.059 0.064 0.000 0.888 356 L HN 0.353 nan 8.230 nan 0.000 0.433 357 A N -0.255 122.605 122.820 0.067 0.000 2.156 357 A HA -0.361 3.948 4.320 -0.018 0.000 0.226 357 A C 2.129 179.747 177.584 0.057 0.000 1.199 357 A CA 2.480 54.565 52.037 0.079 0.000 0.689 357 A CB -1.161 17.881 19.000 0.071 0.000 0.823 357 A HN 0.747 nan 8.150 nan 0.000 0.495 358 S N -1.043 114.685 115.700 0.047 0.000 2.515 358 S HA 0.124 4.583 4.470 -0.018 0.000 0.231 358 S C 0.992 175.619 174.600 0.046 0.000 0.987 358 S CA 0.580 58.797 58.200 0.029 0.000 0.936 358 S CB -0.322 62.899 63.200 0.035 0.000 0.766 358 S HN 0.544 nan 8.310 nan 0.000 0.528 359 S N 1.168 116.921 115.700 0.089 0.000 2.474 359 S HA 0.233 4.692 4.470 -0.018 0.000 0.276 359 S C 0.734 175.415 174.600 0.135 0.000 1.227 359 S CA -0.584 57.703 58.200 0.144 0.000 1.050 359 S CB 0.819 64.142 63.200 0.204 0.000 0.939 359 S HN 0.364 nan 8.310 nan 0.000 0.490 360 E N 3.497 123.732 120.200 0.059 0.000 2.274 360 E HA -0.039 4.300 4.350 -0.018 0.000 0.194 360 E C 0.734 177.317 176.600 -0.028 0.000 0.996 360 E CA 0.933 57.317 56.400 -0.028 0.000 0.840 360 E CB -0.079 29.529 29.700 -0.154 0.000 0.772 360 E HN 0.846 nan 8.360 nan 0.000 0.491 361 F N 0.504 120.485 119.950 0.051 0.000 2.202 361 F HA -0.174 4.342 4.527 -0.018 0.000 0.301 361 F C 1.973 177.805 175.800 0.053 0.000 1.082 361 F CA 1.146 59.173 58.000 0.045 0.000 1.313 361 F CB -0.035 38.983 39.000 0.031 0.000 1.024 361 F HN -0.041 nan 8.300 nan 0.000 0.495 362 S N -2.155 113.696 115.700 0.252 0.000 2.588 362 S HA 0.086 4.545 4.470 -0.018 0.000 0.245 362 S C 0.998 175.690 174.600 0.153 0.000 1.021 362 S CA -0.268 58.034 58.200 0.170 0.000 1.006 362 S CB -0.722 62.564 63.200 0.142 0.000 0.830 362 S HN 0.472 nan 8.310 nan 0.000 0.468 363 H N 1.901 120.997 119.070 0.044 0.000 2.415 363 H HA 0.206 4.752 4.556 -0.017 0.000 0.297 363 H C 1.788 177.124 175.328 0.012 0.000 1.048 363 H CA 1.585 57.644 56.048 0.018 0.000 1.365 363 H CB 0.131 29.888 29.762 -0.009 0.000 1.421 363 H HN 0.238 nan 8.280 nan 0.000 0.533 364 E N 0.909 120.969 120.200 -0.232 0.000 2.033 364 E HA -0.032 4.307 4.350 -0.018 0.000 0.189 364 E C 2.459 178.996 176.600 -0.105 0.000 0.979 364 E CA 0.813 57.067 56.400 -0.243 0.000 0.802 364 E CB -0.861 28.751 29.700 -0.148 0.000 0.763 364 E HN 0.503 nan 8.360 nan 0.000 0.449 365 A N 1.910 124.715 122.820 -0.025 0.000 1.887 365 A HA -0.318 3.991 4.320 -0.018 0.000 0.225 365 A C 2.618 180.260 177.584 0.097 0.000 1.464 365 A CA 3.042 55.101 52.037 0.037 0.000 0.717 365 A CB -1.356 17.684 19.000 0.066 0.000 0.848 365 A HN 0.133 nan 8.150 nan 0.000 0.477 366 V N -0.215 119.758 119.914 0.098 0.000 2.215 366 V HA -0.383 3.726 4.120 -0.018 0.000 0.249 366 V C 2.383 178.555 176.094 0.129 0.000 1.054 366 V CA 2.777 65.163 62.300 0.145 0.000 1.012 366 V CB -0.977 30.902 31.823 0.093 0.000 0.639 366 V HN 0.658 nan 8.190 nan 0.000 0.448 367 K N 0.222 120.605 120.400 -0.027 0.000 2.248 367 K HA -0.317 3.992 4.320 -0.018 0.000 0.208 367 K C 2.038 178.617 176.600 -0.036 0.000 1.044 367 K CA 2.243 58.490 56.287 -0.066 0.000 0.933 367 K CB -0.694 31.689 32.500 -0.196 0.000 0.723 367 K HN 0.843 nan 8.250 nan 0.000 0.475 368 T N -1.859 112.658 114.554 -0.061 0.000 2.869 368 T HA -0.186 4.153 4.350 -0.018 0.000 0.270 368 T C 1.372 175.935 174.700 -0.228 0.000 1.082 368 T CA 1.261 63.257 62.100 -0.174 0.000 1.123 368 T CB -0.266 68.434 68.868 -0.279 0.000 0.856 368 T HN 0.326 nan 8.240 nan 0.000 0.499 369 H N -0.643 118.412 119.070 -0.025 0.000 2.622 369 H HA 0.396 4.943 4.556 -0.016 0.000 0.269 369 H C 2.058 177.381 175.328 -0.009 0.000 0.977 369 H CA -0.054 55.988 56.048 -0.010 0.000 1.179 369 H CB 0.156 29.919 29.762 0.001 0.000 1.458 369 H HN 0.345 nan 8.280 nan 0.000 0.531 370 I N 1.453 122.069 120.570 0.075 0.000 2.103 370 I HA -0.396 3.763 4.170 -0.018 0.000 0.241 370 I C 2.441 178.577 176.117 0.032 0.000 1.036 370 I CA 1.676 63.000 61.300 0.041 0.000 1.300 370 I CB 0.213 38.217 38.000 0.008 0.000 1.010 370 I HN 0.076 nan 8.210 nan 0.000 0.406 371 E N 0.477 120.684 120.200 0.011 0.000 2.082 371 E HA -0.281 4.058 4.350 -0.018 0.000 0.215 371 E C 2.079 178.696 176.600 0.027 0.000 1.048 371 E CA 2.450 58.856 56.400 0.010 0.000 0.869 371 E CB -0.929 28.766 29.700 -0.007 0.000 0.773 371 E HN 0.552 nan 8.360 nan 0.000 0.466 372 T N 0.001 114.583 114.554 0.048 0.000 2.565 372 T HA -0.221 4.118 4.350 -0.018 0.000 0.265 372 T C 1.936 176.670 174.700 0.056 0.000 1.082 372 T CA 2.028 64.169 62.100 0.069 0.000 1.173 372 T CB -0.656 68.288 68.868 0.127 0.000 0.864 372 T HN 0.011 nan 8.240 nan 0.000 0.425 373 V N 1.000 120.949 119.914 0.058 0.000 2.261 373 V HA -0.139 3.970 4.120 -0.018 0.000 0.246 373 V C 2.405 178.501 176.094 0.004 0.000 1.047 373 V CA 1.648 63.965 62.300 0.029 0.000 1.015 373 V CB -0.551 31.289 31.823 0.028 0.000 0.642 373 V HN 0.495 nan 8.190 nan 0.000 0.446 374 I N 0.568 121.142 120.570 0.008 0.000 2.335 374 I HA -0.288 3.871 4.170 -0.018 0.000 0.251 374 I C 2.286 178.403 176.117 -0.001 0.000 1.129 374 I CA 2.109 63.406 61.300 -0.004 0.000 1.402 374 I CB -0.449 37.555 38.000 0.007 0.000 1.069 374 I HN 0.472 nan 8.210 nan 0.000 0.424 375 N N 0.852 119.559 118.700 0.012 0.000 2.250 375 N HA -0.100 4.629 4.740 -0.018 0.000 0.181 375 N C 1.888 177.407 175.510 0.016 0.000 1.017 375 N CA 1.260 54.321 53.050 0.017 0.000 0.866 375 N CB -0.037 38.464 38.487 0.024 0.000 0.985 375 N HN 0.258 nan 8.380 nan 0.000 0.429 376 A N 1.077 123.906 122.820 0.015 0.000 1.883 376 A HA -0.136 4.173 4.320 -0.018 0.000 0.217 376 A C 2.268 179.848 177.584 -0.007 0.000 1.186 376 A CA 1.504 53.549 52.037 0.014 0.000 0.624 376 A CB -1.120 17.890 19.000 0.017 0.000 0.822 376 A HN 0.499 nan 8.150 nan 0.000 0.444 377 L N -0.983 120.212 121.223 -0.048 0.000 2.083 377 L HA -0.107 4.222 4.340 -0.018 0.000 0.209 377 L C 2.288 179.127 176.870 -0.053 0.000 1.083 377 L CA 2.341 57.108 54.840 -0.121 0.000 0.752 377 L CB -0.227 41.693 42.059 -0.232 0.000 0.899 377 L HN 0.362 nan 8.230 nan 0.000 0.433 378 K N -1.420 118.974 120.400 -0.010 0.000 2.365 378 K HA -0.063 4.246 4.320 -0.018 0.000 0.199 378 K C 1.256 177.886 176.600 0.049 0.000 1.045 378 K CA 1.466 57.776 56.287 0.038 0.000 0.962 378 K CB 0.201 32.720 32.500 0.031 0.000 0.759 378 K HN 0.378 nan 8.250 nan 0.000 0.469 379 T N -1.279 113.298 114.554 0.038 0.000 3.388 379 T HA -0.014 4.325 4.350 -0.018 0.000 0.254 379 T C 0.686 175.410 174.700 0.040 0.000 1.002 379 T CA 0.086 62.209 62.100 0.038 0.000 1.164 379 T CB -0.253 68.634 68.868 0.032 0.000 1.184 379 T HN 0.083 nan 8.240 nan 0.000 0.399 380 E N 2.151 122.373 120.200 0.038 0.000 2.464 380 E HA -0.305 4.034 4.350 -0.018 0.000 0.250 380 E C 0.411 177.034 176.600 0.039 0.000 1.063 380 E CA 2.198 58.623 56.400 0.041 0.000 1.155 380 E CB -0.284 29.443 29.700 0.044 0.000 1.041 380 E HN 0.451 nan 8.360 nan 0.000 0.495 381 R N -0.311 120.217 120.500 0.046 0.000 3.651 381 R HA -0.184 4.145 4.340 -0.018 0.000 0.292 381 R C -0.702 175.614 176.300 0.026 0.000 1.161 381 R CA 0.682 56.805 56.100 0.039 0.000 0.787 381 R CB -1.960 28.360 30.300 0.034 0.000 1.249 381 R HN 0.290 nan 8.270 nan 0.000 0.476 382 D N -1.677 118.740 120.400 0.028 0.000 2.539 382 D HA 0.482 5.111 4.640 -0.018 0.000 0.280 382 D C 1.085 177.408 176.300 0.038 0.000 1.208 382 D CA -0.462 53.550 54.000 0.021 0.000 1.088 382 D CB 1.073 41.881 40.800 0.013 0.000 1.149 382 D HN -0.096 nan 8.370 nan 0.000 0.596 383 V N -0.792 119.145 119.914 0.037 0.000 3.229 383 V HA -0.062 4.047 4.120 -0.018 0.000 0.239 383 V C 1.935 178.076 176.094 0.079 0.000 1.390 383 V CA 0.386 62.719 62.300 0.055 0.000 1.231 383 V CB 0.117 31.958 31.823 0.029 0.000 1.025 383 V HN 0.419 nan 8.190 nan 0.000 0.461 384 S N 1.040 116.789 115.700 0.081 0.000 2.399 384 S HA -0.271 4.188 4.470 -0.018 0.000 0.235 384 S C 1.849 176.591 174.600 0.237 0.000 1.063 384 S CA 2.103 60.406 58.200 0.171 0.000 1.070 384 S CB -0.392 62.894 63.200 0.143 0.000 0.904 384 S HN 0.391 nan 8.310 nan 0.000 0.456 385 V N 2.190 122.225 119.914 0.203 0.000 2.221 385 V HA -0.225 3.884 4.120 -0.018 0.000 0.240 385 V C 2.362 178.494 176.094 0.064 0.000 1.041 385 V CA 2.072 64.477 62.300 0.175 0.000 0.991 385 V CB -0.851 31.054 31.823 0.138 0.000 0.634 385 V HN 0.363 nan 8.190 nan 0.000 0.450 386 R N 0.132 120.662 120.500 0.048 0.000 2.134 386 R HA -0.264 4.065 4.340 -0.018 0.000 0.248 386 R C 2.357 178.639 176.300 -0.029 0.000 1.143 386 R CA 1.919 58.013 56.100 -0.010 0.000 0.957 386 R CB -0.674 29.656 30.300 0.050 0.000 0.867 386 R HN 0.484 nan 8.270 nan 0.000 0.441 387 Q N 0.350 120.173 119.800 0.038 0.000 2.112 387 Q HA -0.144 4.185 4.340 -0.018 0.000 0.206 387 Q C 2.107 178.090 176.000 -0.027 0.000 0.987 387 Q CA 1.437 57.254 55.803 0.023 0.000 0.858 387 Q CB -0.276 28.489 28.738 0.045 0.000 0.905 387 Q HN 0.268 nan 8.270 nan 0.000 0.420 388 R N 0.241 120.710 120.500 -0.052 0.000 2.103 388 R HA -0.086 4.243 4.340 -0.018 0.000 0.242 388 R C 2.112 178.361 176.300 -0.084 0.000 1.142 388 R CA 1.407 57.437 56.100 -0.117 0.000 0.960 388 R CB -1.116 29.041 30.300 -0.239 0.000 0.858 388 R HN 0.327 nan 8.270 nan 0.000 0.439 389 A N 0.321 123.096 122.820 -0.076 0.000 1.902 389 A HA -0.109 4.200 4.320 -0.018 0.000 0.217 389 A C 2.526 180.058 177.584 -0.088 0.000 1.181 389 A CA 1.714 53.703 52.037 -0.079 0.000 0.623 389 A CB -0.524 18.419 19.000 -0.096 0.000 0.818 389 A HN 0.122 nan 8.150 nan 0.000 0.443 390 V N 0.198 120.036 119.914 -0.127 0.000 2.323 390 V HA -0.191 3.918 4.120 -0.018 0.000 0.244 390 V C 2.213 178.302 176.094 -0.009 0.000 1.041 390 V CA 2.001 64.228 62.300 -0.121 0.000 1.025 390 V CB -0.796 30.902 31.823 -0.209 0.000 0.656 390 V HN 0.479 nan 8.190 nan 0.000 0.451 391 D N 0.014 120.409 120.400 -0.008 0.000 2.170 391 D HA -0.221 4.408 4.640 -0.018 0.000 0.193 391 D C 1.983 178.345 176.300 0.103 0.000 1.004 391 D CA 1.537 55.566 54.000 0.048 0.000 0.860 391 D CB -0.151 40.654 40.800 0.008 0.000 0.931 391 D HN 0.286 nan 8.370 nan 0.000 0.448 392 L N 0.559 121.806 121.223 0.039 0.000 2.056 392 L HA -0.107 4.222 4.340 -0.018 0.000 0.207 392 L C 2.361 179.269 176.870 0.063 0.000 1.078 392 L CA 1.189 56.054 54.840 0.042 0.000 0.749 392 L CB -0.531 41.530 42.059 0.004 0.000 0.901 392 L HN 0.045 nan 8.230 nan 0.000 0.433 393 L N -2.180 119.077 121.223 0.057 0.000 1.994 393 L HA -0.269 4.060 4.340 -0.018 0.000 0.208 393 L C 2.482 179.425 176.870 0.121 0.000 1.071 393 L CA 1.825 56.707 54.840 0.071 0.000 0.745 393 L CB -1.293 40.800 42.059 0.057 0.000 0.892 393 L HN 0.281 nan 8.230 nan 0.000 0.431 394 Y N 1.236 121.552 120.300 0.028 0.000 2.014 394 Y HA -0.415 4.123 4.550 -0.019 0.000 0.272 394 Y C 2.542 178.481 175.900 0.065 0.000 1.164 394 Y CA 1.521 59.655 58.100 0.057 0.000 1.114 394 Y CB -0.874 37.615 38.460 0.048 0.000 0.961 394 Y HN 0.138 nan 8.280 nan 0.000 0.489 395 A N 1.348 124.224 122.820 0.094 0.000 1.886 395 A HA -0.436 3.873 4.320 -0.018 0.000 0.240 395 A C 2.380 179.942 177.584 -0.036 0.000 1.875 395 A CA 3.873 55.910 52.037 0.001 0.000 0.760 395 A CB -1.580 17.467 19.000 0.078 0.000 0.849 395 A HN 0.844 nan 8.150 nan 0.000 0.505 396 M N -1.756 117.855 119.600 0.019 0.000 2.561 396 M HA 0.282 4.751 4.480 -0.018 0.000 0.238 396 M C 0.766 177.101 176.300 0.058 0.000 1.131 396 M CA 0.100 55.438 55.300 0.064 0.000 1.046 396 M CB -0.453 32.188 32.600 0.069 0.000 1.532 396 M HN 0.366 nan 8.290 nan 0.000 0.497 397 C N 3.469 122.753 119.300 -0.026 0.000 2.629 397 C HA 0.323 4.772 4.460 -0.018 0.000 0.410 397 C C 0.323 175.164 174.990 -0.248 0.000 1.339 397 C CA -0.266 58.696 59.018 -0.095 0.000 1.810 397 C CB -0.688 27.012 27.740 -0.068 0.000 2.549 397 C HN 0.848 nan 8.230 nan 0.000 0.589 398 D N 3.147 123.362 120.400 -0.307 0.000 2.808 398 D HA 0.328 4.957 4.640 -0.018 0.000 0.249 398 D C 1.099 177.030 176.300 -0.616 0.000 1.151 398 D CA -0.668 52.981 54.000 -0.585 0.000 1.089 398 D CB 0.251 40.950 40.800 -0.167 0.000 1.295 398 D HN 0.364 nan 8.370 nan 0.000 0.631 399 R N -0.076 120.178 120.500 -0.411 0.000 2.075 399 R HA -0.118 4.210 4.340 -0.018 0.000 0.230 399 R C 2.280 178.444 176.300 -0.227 0.000 1.140 399 R CA 2.572 58.505 56.100 -0.280 0.000 0.928 399 R CB -0.605 29.608 30.300 -0.144 0.000 0.834 399 R HN 0.585 nan 8.270 nan 0.000 0.429 400 S N 1.255 116.849 115.700 -0.177 0.000 2.435 400 S HA -0.325 4.134 4.470 -0.018 0.000 0.250 400 S C 1.668 176.190 174.600 -0.130 0.000 1.065 400 S CA 1.910 60.023 58.200 -0.146 0.000 1.243 400 S CB -1.339 61.790 63.200 -0.118 0.000 1.158 400 S HN 0.394 nan 8.310 nan 0.000 0.430 401 N N 3.150 121.778 118.700 -0.121 0.000 2.089 401 N HA -0.163 4.566 4.740 -0.018 0.000 0.198 401 N C 1.956 177.424 175.510 -0.071 0.000 1.017 401 N CA 1.943 54.941 53.050 -0.085 0.000 0.880 401 N CB -1.277 37.152 38.487 -0.097 0.000 1.042 401 N HN 0.703 nan 8.380 nan 0.000 0.446 402 A N 1.134 123.879 122.820 -0.125 0.000 1.877 402 A HA -0.197 4.112 4.320 -0.018 0.000 0.216 402 A C 2.133 179.742 177.584 0.042 0.000 1.186 402 A CA 1.367 53.387 52.037 -0.028 0.000 0.620 402 A CB -0.577 18.399 19.000 -0.039 0.000 0.822 402 A HN 0.259 nan 8.150 nan 0.000 0.443 403 Q N -0.419 119.297 119.800 -0.141 0.000 2.029 403 Q HA -0.329 4.000 4.340 -0.018 0.000 0.209 403 Q C 2.444 178.486 176.000 0.071 0.000 0.999 403 Q CA 2.484 58.204 55.803 -0.138 0.000 0.857 403 Q CB -0.513 28.081 28.738 -0.241 0.000 0.926 403 Q HN 0.993 nan 8.270 nan 0.000 0.415 404 Q N 0.346 120.157 119.800 0.020 0.000 1.990 404 Q HA -0.154 4.175 4.340 -0.018 0.000 0.200 404 Q C 2.213 178.266 176.000 0.088 0.000 0.980 404 Q CA 1.323 57.158 55.803 0.053 0.000 0.832 404 Q CB -0.479 28.270 28.738 0.018 0.000 0.897 404 Q HN 0.354 nan 8.270 nan 0.000 0.427 405 I N 1.106 121.720 120.570 0.074 0.000 2.103 405 I HA -0.393 3.766 4.170 -0.018 0.000 0.241 405 I C 2.541 178.738 176.117 0.133 0.000 1.036 405 I CA 1.785 63.139 61.300 0.089 0.000 1.300 405 I CB -0.725 37.325 38.000 0.084 0.000 1.010 405 I HN 0.176 nan 8.210 nan 0.000 0.406 406 V N 1.048 121.080 119.914 0.196 0.000 2.231 406 V HA -0.383 3.726 4.120 -0.018 0.000 0.248 406 V C 2.784 178.977 176.094 0.165 0.000 1.054 406 V CA 2.322 64.752 62.300 0.217 0.000 1.015 406 V CB -1.111 30.931 31.823 0.365 0.000 0.638 406 V HN 0.596 nan 8.190 nan 0.000 0.444 407 A N -0.807 122.123 122.820 0.183 0.000 1.927 407 A HA -0.293 4.016 4.320 -0.018 0.000 0.220 407 A C 2.194 179.838 177.584 0.100 0.000 1.185 407 A CA 2.183 54.299 52.037 0.132 0.000 0.639 407 A CB -0.481 18.593 19.000 0.123 0.000 0.820 407 A HN 0.585 nan 8.150 nan 0.000 0.451 408 E N -0.838 119.419 120.200 0.096 0.000 2.028 408 E HA -0.119 4.220 4.350 -0.018 0.000 0.190 408 E C 2.089 178.756 176.600 0.112 0.000 0.984 408 E CA 1.273 57.723 56.400 0.084 0.000 0.800 408 E CB -0.459 29.275 29.700 0.056 0.000 0.758 408 E HN 0.702 nan 8.360 nan 0.000 0.448 409 M N 0.517 120.184 119.600 0.112 0.000 2.195 409 M HA -0.176 4.293 4.480 -0.018 0.000 0.260 409 M C 2.254 178.647 176.300 0.156 0.000 1.066 409 M CA 1.110 56.503 55.300 0.155 0.000 1.089 409 M CB -0.198 32.481 32.600 0.132 0.000 1.377 409 M HN 0.056 nan 8.290 nan 0.000 0.411 410 L N -0.820 120.463 121.223 0.099 0.000 1.994 410 L HA -0.243 4.086 4.340 -0.018 0.000 0.208 410 L C 2.729 179.635 176.870 0.059 0.000 1.071 410 L CA 1.874 56.749 54.840 0.059 0.000 0.745 410 L CB -1.080 40.998 42.059 0.031 0.000 0.892 410 L HN 0.455 nan 8.230 nan 0.000 0.431 411 S N -0.688 115.059 115.700 0.078 0.000 2.368 411 S HA -0.307 4.152 4.470 -0.018 0.000 0.225 411 S C 2.067 176.712 174.600 0.075 0.000 1.030 411 S CA 1.231 59.470 58.200 0.065 0.000 0.999 411 S CB -1.053 62.189 63.200 0.070 0.000 0.844 411 S HN 0.449 nan 8.310 nan 0.000 0.459 412 Y N 2.237 122.536 120.300 -0.001 0.000 2.181 412 Y HA -0.110 4.429 4.550 -0.018 0.000 0.284 412 Y C 2.042 177.927 175.900 -0.025 0.000 1.179 412 Y CA 1.392 59.487 58.100 -0.009 0.000 1.179 412 Y CB -0.602 37.856 38.460 -0.003 0.000 0.973 412 Y HN 0.282 nan 8.280 nan 0.000 0.519 413 L N -0.167 120.999 121.223 -0.094 0.000 2.093 413 L HA -0.187 4.142 4.340 -0.018 0.000 0.208 413 L C 2.044 178.822 176.870 -0.153 0.000 1.085 413 L CA 1.452 56.182 54.840 -0.182 0.000 0.755 413 L CB -0.407 41.608 42.059 -0.073 0.000 0.904 413 L HN 0.156 nan 8.230 nan 0.000 0.435 414 E N -0.427 119.724 120.200 -0.081 0.000 2.444 414 E HA -0.161 4.178 4.350 -0.018 0.000 0.204 414 E C 0.046 176.580 176.600 -0.110 0.000 1.049 414 E CA 1.203 57.560 56.400 -0.071 0.000 0.872 414 E CB -0.137 29.544 29.700 -0.032 0.000 0.791 414 E HN 0.441 nan 8.360 nan 0.000 0.548 415 T N -1.669 112.769 114.554 -0.193 0.000 3.160 415 T HA 0.744 5.083 4.350 -0.018 0.000 0.346 415 T C -0.614 173.866 174.700 -0.366 0.000 1.027 415 T CA -0.536 61.423 62.100 -0.235 0.000 1.287 415 T CB 1.152 69.925 68.868 -0.158 0.000 0.997 415 T HN 0.091 nan 8.240 nan 0.000 0.518 416 A N 2.513 125.125 122.820 -0.347 0.000 2.612 416 A HA 0.746 5.055 4.320 -0.018 0.000 0.293 416 A C 0.650 178.036 177.584 -0.329 0.000 1.075 416 A CA -0.349 51.473 52.037 -0.358 0.000 0.680 416 A CB 1.159 19.884 19.000 -0.458 0.000 1.279 416 A HN 0.630 nan 8.150 nan 0.000 0.411 417 D N 0.215 120.400 120.400 -0.357 0.000 2.643 417 D HA -0.284 4.345 4.640 -0.018 0.000 0.355 417 D C 0.752 176.773 176.300 -0.466 0.000 1.291 417 D CA 3.141 56.800 54.000 -0.568 0.000 1.222 417 D CB -0.367 40.069 40.800 -0.606 0.000 1.728 417 D HN 0.810 nan 8.370 nan 0.000 0.579 418 Y N -2.043 118.080 120.300 -0.295 0.000 3.275 418 Y HA -0.013 4.526 4.550 -0.018 0.000 0.179 418 Y C 2.830 178.651 175.900 -0.131 0.000 1.009 418 Y CA -0.084 57.836 58.100 -0.300 0.000 1.740 418 Y CB -0.475 38.003 38.460 0.030 0.000 1.412 418 Y HN 0.235 nan 8.280 nan 0.000 0.331 419 S N 2.778 118.559 115.700 0.135 0.000 2.349 419 S HA -0.216 4.243 4.470 -0.018 0.000 0.216 419 S C 1.879 176.485 174.600 0.010 0.000 1.033 419 S CA 1.681 59.930 58.200 0.083 0.000 1.021 419 S CB -1.264 61.971 63.200 0.058 0.000 0.968 419 S HN 0.539 nan 8.310 nan 0.000 0.426 420 I N 0.875 121.420 120.570 -0.041 0.000 2.143 420 I HA -0.301 3.858 4.170 -0.018 0.000 0.245 420 I C 2.789 178.856 176.117 -0.084 0.000 1.068 420 I CA 1.837 63.104 61.300 -0.055 0.000 1.326 420 I CB -0.659 37.297 38.000 -0.073 0.000 1.028 420 I HN 0.128 nan 8.210 nan 0.000 0.412 421 R N 0.682 121.073 120.500 -0.181 0.000 2.083 421 R HA -0.205 4.124 4.340 -0.018 0.000 0.237 421 R C 2.402 178.667 176.300 -0.058 0.000 1.137 421 R CA 2.205 58.166 56.100 -0.231 0.000 0.951 421 R CB -0.489 29.446 30.300 -0.607 0.000 0.851 421 R HN 0.603 nan 8.270 nan 0.000 0.434 422 E N 0.801 121.028 120.200 0.045 0.000 2.051 422 E HA -0.220 4.119 4.350 -0.018 0.000 0.192 422 E C 1.919 178.542 176.600 0.037 0.000 0.991 422 E CA 1.578 58.048 56.400 0.117 0.000 0.799 422 E CB 0.051 29.849 29.700 0.164 0.000 0.748 422 E HN 0.472 nan 8.360 nan 0.000 0.449 423 E N 0.465 120.670 120.200 0.008 0.000 2.204 423 E HA -0.189 4.150 4.350 -0.018 0.000 0.194 423 E C 2.099 178.671 176.600 -0.047 0.000 0.989 423 E CA 1.062 57.446 56.400 -0.027 0.000 0.824 423 E CB -0.333 29.343 29.700 -0.040 0.000 0.756 423 E HN 0.375 nan 8.360 nan 0.000 0.477 424 I N 1.071 121.629 120.570 -0.020 0.000 2.252 424 I HA -0.200 3.959 4.170 -0.018 0.000 0.245 424 I C 2.507 178.623 176.117 -0.001 0.000 1.102 424 I CA 0.564 61.864 61.300 0.000 0.000 1.385 424 I CB -0.197 37.829 38.000 0.044 0.000 1.064 424 I HN 0.031 nan 8.210 nan 0.000 0.414 425 V N 0.856 120.771 119.914 0.002 0.000 2.343 425 V HA -0.266 3.843 4.120 -0.018 0.000 0.247 425 V C 2.469 178.564 176.094 0.001 0.000 1.051 425 V CA 1.587 63.890 62.300 0.005 0.000 1.036 425 V CB -0.328 31.509 31.823 0.022 0.000 0.654 425 V HN 0.253 nan 8.190 nan 0.000 0.451 426 L N -0.008 121.213 121.223 -0.005 0.000 1.997 426 L HA -0.254 4.075 4.340 -0.018 0.000 0.216 426 L C 2.389 179.256 176.870 -0.004 0.000 1.074 426 L CA 2.120 56.953 54.840 -0.011 0.000 0.763 426 L CB -0.979 41.064 42.059 -0.028 0.000 0.890 426 L HN 0.343 nan 8.230 nan 0.000 0.434 427 K N -1.276 119.092 120.400 -0.053 0.000 1.973 427 K HA -0.139 4.170 4.320 -0.018 0.000 0.212 427 K C 1.969 178.643 176.600 0.124 0.000 1.047 427 K CA 1.483 57.764 56.287 -0.009 0.000 0.937 427 K CB -0.850 31.494 32.500 -0.261 0.000 0.721 427 K HN 0.060 nan 8.250 nan 0.000 0.440 428 V N 1.945 121.910 119.914 0.084 0.000 2.277 428 V HA -0.374 3.735 4.120 -0.018 0.000 0.255 428 V C 2.489 178.614 176.094 0.051 0.000 1.074 428 V CA 2.265 64.611 62.300 0.077 0.000 1.058 428 V CB -0.939 30.895 31.823 0.017 0.000 0.656 428 V HN 0.503 nan 8.190 nan 0.000 0.449 429 A N -0.738 122.098 122.820 0.027 0.000 1.883 429 A HA -0.254 4.055 4.320 -0.018 0.000 0.217 429 A C 2.227 179.894 177.584 0.138 0.000 1.186 429 A CA 2.336 54.400 52.037 0.045 0.000 0.624 429 A CB -0.582 18.435 19.000 0.029 0.000 0.822 429 A HN 0.543 nan 8.150 nan 0.000 0.444 430 I N -0.237 120.419 120.570 0.145 0.000 2.315 430 I HA -0.213 3.946 4.170 -0.018 0.000 0.248 430 I C 2.233 178.455 176.117 0.174 0.000 1.117 430 I CA 0.940 62.337 61.300 0.162 0.000 1.404 430 I CB -0.078 38.013 38.000 0.152 0.000 1.071 430 I HN 0.364 nan 8.210 nan 0.000 0.419 431 L N 0.481 121.856 121.223 0.254 0.000 1.961 431 L HA -0.211 4.118 4.340 -0.018 0.000 0.210 431 L C 2.847 179.930 176.870 0.355 0.000 1.072 431 L CA 1.581 56.616 54.840 0.324 0.000 0.749 431 L CB -1.363 40.928 42.059 0.388 0.000 0.889 431 L HN 0.238 nan 8.230 nan 0.000 0.432 432 A N -0.440 122.564 122.820 0.305 0.000 1.986 432 A HA -0.277 4.032 4.320 -0.018 0.000 0.220 432 A C 2.302 180.219 177.584 0.556 0.000 1.171 432 A CA 2.076 54.305 52.037 0.320 0.000 0.640 432 A CB -0.638 18.159 19.000 -0.338 0.000 0.811 432 A HN 0.558 nan 8.150 nan 0.000 0.451 433 E N -0.309 120.174 120.200 0.472 0.000 2.028 433 E HA -0.213 4.126 4.350 -0.018 0.000 0.191 433 E C 2.101 178.727 176.600 0.043 0.000 0.988 433 E CA 1.404 57.922 56.400 0.195 0.000 0.799 433 E CB -0.187 29.590 29.700 0.129 0.000 0.755 433 E HN 0.606 nan 8.360 nan 0.000 0.447 434 K N -0.832 119.530 120.400 -0.064 0.000 2.211 434 K HA -0.127 4.182 4.320 -0.018 0.000 0.203 434 K C 1.188 177.521 176.600 -0.446 0.000 1.050 434 K CA 1.138 57.212 56.287 -0.355 0.000 0.945 434 K CB 0.106 32.194 32.500 -0.687 0.000 0.732 434 K HN 0.266 nan 8.250 nan 0.000 0.451 435 Y N -0.666 119.704 120.300 0.117 0.000 2.453 435 Y HA 0.321 4.863 4.550 -0.014 0.000 0.247 435 Y C 0.439 176.329 175.900 -0.016 0.000 1.124 435 Y CA -0.656 57.473 58.100 0.049 0.000 1.243 435 Y CB 0.793 39.284 38.460 0.052 0.000 1.213 435 Y HN -0.063 nan 8.280 nan 0.000 0.523 436 A N 0.986 123.917 122.820 0.185 0.000 2.546 436 A HA 0.189 4.498 4.320 -0.018 0.000 0.243 436 A C 1.319 178.718 177.584 -0.307 0.000 1.063 436 A CA 0.429 52.490 52.037 0.040 0.000 0.757 436 A CB 0.395 19.496 19.000 0.169 0.000 0.991 436 A HN 0.319 nan 8.150 nan 0.000 0.503 437 V N 2.473 122.212 119.914 -0.292 0.000 2.341 437 V HA 0.028 4.137 4.120 -0.018 0.000 0.240 437 V C 0.905 176.874 176.094 -0.210 0.000 1.035 437 V CA 1.719 63.884 62.300 -0.224 0.000 1.033 437 V CB -0.414 31.302 31.823 -0.178 0.000 0.678 437 V HN 0.930 nan 8.190 nan 0.000 0.464 438 D N -1.480 118.821 120.400 -0.165 0.000 2.256 438 D HA 0.064 4.693 4.640 -0.018 0.000 0.250 438 D C -0.212 176.071 176.300 -0.027 0.000 1.093 438 D CA -0.268 53.701 54.000 -0.052 0.000 0.882 438 D CB 1.388 42.178 40.800 -0.017 0.000 1.185 438 D HN 0.421 nan 8.370 nan 0.000 0.437 439 Y N 1.990 122.353 120.300 0.104 0.000 2.466 439 Y HA 0.027 4.568 4.550 -0.014 0.000 0.272 439 Y C 2.381 178.337 175.900 0.093 0.000 1.169 439 Y CA 0.119 58.302 58.100 0.138 0.000 1.285 439 Y CB 0.611 39.095 38.460 0.041 0.000 1.078 439 Y HN 0.422 nan 8.280 nan 0.000 0.523 440 T N -1.250 113.362 114.554 0.096 0.000 2.851 440 T HA -0.193 4.146 4.350 -0.018 0.000 0.262 440 T C 1.660 176.387 174.700 0.044 0.000 1.043 440 T CA 1.175 63.189 62.100 -0.144 0.000 1.140 440 T CB -0.323 68.244 68.868 -0.502 0.000 0.872 440 T HN 0.650 nan 8.240 nan 0.000 0.446 441 W N 0.752 122.025 121.300 -0.044 0.000 2.321 441 W HA -0.240 4.415 4.660 -0.009 0.000 0.285 441 W C 1.723 178.265 176.519 0.038 0.000 1.213 441 W CA 1.373 58.718 57.345 0.001 0.000 1.205 441 W CB -0.458 28.997 29.460 -0.008 0.000 1.134 441 W HN 0.441 nan 8.180 nan 0.000 0.549 442 Y N -0.239 120.092 120.300 0.051 0.000 2.153 442 Y HA -0.190 4.348 4.550 -0.020 0.000 0.289 442 Y C 2.428 178.260 175.900 -0.114 0.000 1.119 442 Y CA 2.644 60.675 58.100 -0.115 0.000 1.116 442 Y CB -1.052 37.511 38.460 0.172 0.000 1.004 442 Y HN -0.209 nan 8.280 nan 0.000 0.501 443 V N 1.176 121.148 119.914 0.096 0.000 2.277 443 V HA -0.405 3.704 4.120 -0.018 0.000 0.253 443 V C 2.073 178.110 176.094 -0.096 0.000 1.067 443 V CA 2.447 64.750 62.300 0.005 0.000 1.047 443 V CB -0.686 31.229 31.823 0.154 0.000 0.649 443 V HN 0.504 nan 8.190 nan 0.000 0.447 444 D N -0.869 119.484 120.400 -0.078 0.000 2.178 444 D HA -0.129 4.500 4.640 -0.018 0.000 0.201 444 D C 2.241 178.402 176.300 -0.231 0.000 0.980 444 D CA 1.787 55.740 54.000 -0.077 0.000 0.842 444 D CB -0.100 40.697 40.800 -0.006 0.000 0.948 444 D HN 0.446 nan 8.370 nan 0.000 0.472 445 T N 0.765 115.038 114.554 -0.468 0.000 2.937 445 T HA -0.014 4.325 4.350 -0.018 0.000 0.260 445 T C 1.953 176.413 174.700 -0.400 0.000 1.051 445 T CA -0.013 61.779 62.100 -0.514 0.000 1.141 445 T CB 0.307 68.666 68.868 -0.849 0.000 0.879 445 T HN 0.049 nan 8.240 nan 0.000 0.459 446 I N 1.422 121.700 120.570 -0.488 0.000 2.179 446 I HA -0.074 4.085 4.170 -0.018 0.000 0.242 446 I C 2.304 178.316 176.117 -0.175 0.000 1.088 446 I CA 1.256 62.354 61.300 -0.337 0.000 1.357 446 I CB -1.217 36.542 38.000 -0.402 0.000 1.051 446 I HN 0.267 nan 8.210 nan 0.000 0.409 447 L N 0.371 121.512 121.223 -0.136 0.000 2.079 447 L HA -0.269 4.060 4.340 -0.018 0.000 0.210 447 L C 2.262 179.088 176.870 -0.072 0.000 1.081 447 L CA 1.284 56.087 54.840 -0.063 0.000 0.752 447 L CB -0.623 41.427 42.059 -0.016 0.000 0.896 447 L HN 0.283 nan 8.230 nan 0.000 0.433 448 N N -0.425 118.216 118.700 -0.098 0.000 2.069 448 N HA -0.183 4.546 4.740 -0.018 0.000 0.191 448 N C 1.670 177.126 175.510 -0.089 0.000 1.031 448 N CA 1.173 54.170 53.050 -0.089 0.000 0.852 448 N CB -0.258 38.167 38.487 -0.104 0.000 1.018 448 N HN 0.041 nan 8.380 nan 0.000 0.423 449 L N 0.634 121.793 121.223 -0.108 0.000 1.990 449 L HA -0.147 4.182 4.340 -0.018 0.000 0.213 449 L C 2.153 178.966 176.870 -0.095 0.000 1.072 449 L CA 1.247 56.036 54.840 -0.085 0.000 0.755 449 L CB -1.438 40.575 42.059 -0.076 0.000 0.889 449 L HN 0.142 nan 8.230 nan 0.000 0.432 450 I N -0.378 120.129 120.570 -0.104 0.000 2.145 450 I HA -0.323 3.836 4.170 -0.018 0.000 0.244 450 I C 2.853 178.867 176.117 -0.171 0.000 1.075 450 I CA 1.398 62.603 61.300 -0.158 0.000 1.332 450 I CB -0.549 37.383 38.000 -0.113 0.000 1.033 450 I HN 0.260 nan 8.210 nan 0.000 0.410 451 R N 0.244 120.684 120.500 -0.099 0.000 2.070 451 R HA -0.152 4.177 4.340 -0.018 0.000 0.232 451 R C 2.415 178.676 176.300 -0.064 0.000 1.138 451 R CA 1.852 57.910 56.100 -0.070 0.000 0.936 451 R CB -0.408 29.867 30.300 -0.042 0.000 0.839 451 R HN 0.269 nan 8.270 nan 0.000 0.429 452 I N -0.168 120.369 120.570 -0.056 0.000 2.361 452 I HA -0.234 3.925 4.170 -0.018 0.000 0.251 452 I C 1.919 178.015 176.117 -0.034 0.000 1.133 452 I CA 1.390 62.666 61.300 -0.040 0.000 1.413 452 I CB 0.075 38.052 38.000 -0.039 0.000 1.073 452 I HN 0.361 nan 8.210 nan 0.000 0.424 453 A N -1.212 121.578 122.820 -0.050 0.000 2.018 453 A HA 0.513 4.822 4.320 -0.018 0.000 0.201 453 A C 1.912 179.438 177.584 -0.097 0.000 1.892 453 A CA 0.761 52.801 52.037 0.005 0.000 0.962 453 A CB -0.823 18.208 19.000 0.051 0.000 1.195 453 A HN 0.337 nan 8.150 nan 0.000 0.615 454 G N 0.470 109.109 108.800 -0.268 0.000 5.001 454 G HA2 -0.509 3.440 3.960 -0.018 0.000 0.306 454 G HA3 -0.509 3.440 3.960 -0.018 0.000 0.306 454 G C 0.894 175.545 174.900 -0.414 0.000 1.491 454 G CA 1.464 46.128 45.100 -0.727 0.000 1.324 454 G HN 0.428 nan 8.290 nan 0.000 0.829 455 D N 0.376 120.674 120.400 -0.170 0.000 2.149 455 D HA -0.040 4.588 4.640 -0.018 0.000 0.194 455 D C 0.924 176.975 176.300 -0.415 0.000 1.001 455 D CA 1.402 55.316 54.000 -0.144 0.000 0.849 455 D CB -0.259 40.432 40.800 -0.181 0.000 0.939 455 D HN 0.535 nan 8.370 nan 0.000 0.449 456 Y N -0.396 119.883 120.300 -0.035 0.000 2.404 456 Y HA 0.390 4.930 4.550 -0.018 0.000 0.344 456 Y C 0.722 176.590 175.900 -0.054 0.000 0.970 456 Y CA -0.590 57.496 58.100 -0.024 0.000 1.180 456 Y CB 1.293 39.744 38.460 -0.015 0.000 1.138 456 Y HN -0.309 nan 8.280 nan 0.000 0.510 457 V N 1.492 121.424 119.914 0.030 0.000 5.886 457 V HA 0.594 4.703 4.120 -0.018 0.000 0.121 457 V C -0.012 176.113 176.094 0.052 0.000 1.034 457 V CA 0.517 62.842 62.300 0.041 0.000 1.307 457 V CB 1.519 33.360 31.823 0.030 0.000 2.430 457 V HN 0.693 nan 8.190 nan 0.000 0.319 458 S N -1.659 114.071 115.700 0.050 0.000 3.241 458 S HA 0.268 4.727 4.470 -0.018 0.000 0.305 458 S C -0.159 174.447 174.600 0.011 0.000 1.234 458 S CA 0.493 58.695 58.200 0.003 0.000 1.238 458 S CB 0.611 63.789 63.200 -0.036 0.000 1.504 458 S HN 0.818 nan 8.310 nan 0.000 0.508 459 E N -0.171 119.922 120.200 -0.178 0.000 2.441 459 E HA 0.284 4.623 4.350 -0.018 0.000 0.212 459 E C 0.757 176.778 176.600 -0.966 0.000 0.840 459 E CA 0.129 56.203 56.400 -0.544 0.000 1.143 459 E CB -0.245 29.074 29.700 -0.635 0.000 1.153 459 E HN 0.365 nan 8.360 nan 0.000 0.539 460 E N 1.628 121.488 120.200 -0.566 0.000 2.152 460 E HA -0.062 4.277 4.350 -0.018 0.000 0.192 460 E C 2.135 178.585 176.600 -0.250 0.000 0.983 460 E CA 1.037 57.189 56.400 -0.414 0.000 0.818 460 E CB -0.309 29.270 29.700 -0.201 0.000 0.758 460 E HN 0.087 nan 8.360 nan 0.000 0.467 461 V N 1.884 121.700 119.914 -0.163 0.000 2.231 461 V HA -0.280 3.829 4.120 -0.018 0.000 0.250 461 V C 2.221 178.317 176.094 0.003 0.000 1.058 461 V CA 2.233 64.507 62.300 -0.043 0.000 1.022 461 V CB -0.892 30.936 31.823 0.009 0.000 0.640 461 V HN 0.572 nan 8.190 nan 0.000 0.445 462 W N -0.740 120.536 121.300 -0.040 0.000 2.436 462 W HA -0.128 4.520 4.660 -0.020 0.000 0.284 462 W C 2.266 178.871 176.519 0.143 0.000 1.225 462 W CA 0.836 58.203 57.345 0.037 0.000 1.271 462 W CB -1.570 27.916 29.460 0.044 0.000 1.114 462 W HN 0.344 nan 8.180 nan 0.000 0.559 463 Y N 1.360 121.208 120.300 -0.752 0.000 2.207 463 Y HA -0.274 4.265 4.550 -0.019 0.000 0.287 463 Y C 2.957 178.637 175.900 -0.368 0.000 1.156 463 Y CA 1.332 59.083 58.100 -0.581 0.000 1.182 463 Y CB -0.448 37.681 38.460 -0.552 0.000 0.979 463 Y HN -0.093 nan 8.280 nan 0.000 0.521 464 R N 0.390 120.849 120.500 -0.068 0.000 2.075 464 R HA -0.077 4.252 4.340 -0.018 0.000 0.226 464 R C 2.164 178.453 176.300 -0.017 0.000 1.114 464 R CA 0.965 57.016 56.100 -0.081 0.000 0.972 464 R CB -1.061 29.227 30.300 -0.019 0.000 0.869 464 R HN 0.164 nan 8.270 nan 0.000 0.437 465 V N 0.777 120.753 119.914 0.103 0.000 2.515 465 V HA -0.175 3.934 4.120 -0.018 0.000 0.250 465 V C 1.974 178.129 176.094 0.102 0.000 1.058 465 V CA 1.312 63.733 62.300 0.203 0.000 1.064 465 V CB -0.320 31.624 31.823 0.200 0.000 0.675 465 V HN 0.230 nan 8.190 nan 0.000 0.461 466 I N -0.359 120.233 120.570 0.037 0.000 2.113 466 I HA -0.282 3.877 4.170 -0.018 0.000 0.238 466 I C 2.514 178.524 176.117 -0.178 0.000 1.070 466 I CA 1.690 62.946 61.300 -0.073 0.000 1.332 466 I CB -1.600 36.264 38.000 -0.228 0.000 1.044 466 I HN 0.417 nan 8.210 nan 0.000 0.402 467 Q N 0.240 119.826 119.800 -0.358 0.000 2.029 467 Q HA -0.236 4.093 4.340 -0.018 0.000 0.209 467 Q C 2.271 178.116 176.000 -0.259 0.000 0.999 467 Q CA 1.767 57.209 55.803 -0.602 0.000 0.857 467 Q CB -0.120 28.106 28.738 -0.852 0.000 0.926 467 Q HN 0.414 nan 8.270 nan 0.000 0.415 468 I N -0.002 120.455 120.570 -0.188 0.000 2.113 468 I HA -0.243 3.916 4.170 -0.018 0.000 0.238 468 I C 2.457 178.509 176.117 -0.108 0.000 1.070 468 I CA 1.084 62.280 61.300 -0.173 0.000 1.332 468 I CB -1.485 36.376 38.000 -0.232 0.000 1.044 468 I HN 0.096 nan 8.210 nan 0.000 0.402 469 V N 2.527 122.426 119.914 -0.024 0.000 2.250 469 V HA -0.322 3.787 4.120 -0.018 0.000 0.253 469 V C 2.660 178.735 176.094 -0.032 0.000 1.065 469 V CA 2.524 64.807 62.300 -0.027 0.000 1.039 469 V CB -0.692 31.149 31.823 0.031 0.000 0.647 469 V HN 0.499 nan 8.190 nan 0.000 0.446 470 I N 0.071 120.726 120.570 0.141 0.000 2.118 470 I HA -0.292 3.867 4.170 -0.018 0.000 0.241 470 I C 2.118 178.335 176.117 0.167 0.000 1.070 470 I CA 2.614 64.112 61.300 0.330 0.000 1.327 470 I CB -0.788 37.463 38.000 0.418 0.000 1.034 470 I HN 0.330 nan 8.210 nan 0.000 0.405 471 N N 1.203 119.948 118.700 0.074 0.000 2.573 471 N HA -0.080 4.649 4.740 -0.018 0.000 0.187 471 N C 1.622 177.103 175.510 -0.047 0.000 1.107 471 N CA 0.789 53.855 53.050 0.027 0.000 0.918 471 N CB -0.208 38.273 38.487 -0.010 0.000 0.966 471 N HN 0.608 nan 8.380 nan 0.000 0.448 472 R N -0.030 120.412 120.500 -0.096 0.000 2.221 472 R HA 0.136 4.465 4.340 -0.018 0.000 0.195 472 R C 0.124 176.374 176.300 -0.083 0.000 0.956 472 R CA 0.162 56.179 56.100 -0.138 0.000 1.064 472 R CB 0.303 30.445 30.300 -0.264 0.000 1.049 472 R HN 0.008 nan 8.270 nan 0.000 0.534 473 D N 0.306 120.656 120.400 -0.084 0.000 4.846 473 D HA -0.263 4.366 4.640 -0.018 0.000 0.139 473 D C 0.735 177.000 176.300 -0.057 0.000 0.655 473 D CA 2.062 56.028 54.000 -0.057 0.000 1.183 473 D CB -1.482 39.315 40.800 -0.005 0.000 0.735 473 D HN 0.228 nan 8.370 nan 0.000 0.572 474 D N 1.331 121.720 120.400 -0.019 0.000 2.612 474 D HA -0.291 4.338 4.640 -0.018 0.000 0.191 474 D C 1.801 178.103 176.300 0.004 0.000 1.061 474 D CA 3.298 57.300 54.000 0.003 0.000 0.912 474 D CB -0.928 39.881 40.800 0.016 0.000 0.891 474 D HN 0.517 nan 8.370 nan 0.000 0.463 475 V N -1.665 118.233 119.914 -0.026 0.000 2.828 475 V HA -0.267 3.842 4.120 -0.018 0.000 0.260 475 V C 2.330 178.425 176.094 0.001 0.000 1.101 475 V CA 1.829 64.116 62.300 -0.021 0.000 1.123 475 V CB -1.130 30.664 31.823 -0.049 0.000 0.704 475 V HN 0.215 nan 8.190 nan 0.000 0.493 476 Q N 1.226 120.981 119.800 -0.077 0.000 1.967 476 Q HA 0.104 4.433 4.340 -0.018 0.000 0.196 476 Q C 2.521 178.495 176.000 -0.043 0.000 0.978 476 Q CA 1.354 57.027 55.803 -0.217 0.000 0.833 476 Q CB -0.767 27.672 28.738 -0.499 0.000 0.898 476 Q HN 0.613 nan 8.270 nan 0.000 0.446 477 G N 0.116 108.928 108.800 0.019 0.000 2.507 477 G HA2 -0.335 3.614 3.960 -0.018 0.000 0.221 477 G HA3 -0.335 3.614 3.960 -0.018 0.000 0.221 477 G C 1.146 176.117 174.900 0.119 0.000 1.119 477 G CA 1.215 46.364 45.100 0.081 0.000 0.751 477 G HN 0.384 nan 8.290 nan 0.000 0.574 478 Y N 1.574 121.891 120.300 0.028 0.000 2.084 478 Y HA 0.037 4.576 4.550 -0.019 0.000 0.279 478 Y C 3.043 178.981 175.900 0.064 0.000 1.119 478 Y CA 1.896 60.028 58.100 0.052 0.000 1.101 478 Y CB -0.510 37.984 38.460 0.058 0.000 0.989 478 Y HN 0.267 nan 8.280 nan 0.000 0.484 479 A N 1.204 124.284 122.820 0.433 0.000 1.882 479 A HA -0.392 3.917 4.320 -0.018 0.000 0.220 479 A C 2.415 180.112 177.584 0.189 0.000 1.253 479 A CA 3.106 55.327 52.037 0.305 0.000 0.664 479 A CB -1.922 17.182 19.000 0.173 0.000 0.838 479 A HN 0.811 nan 8.150 nan 0.000 0.460 480 A N -0.693 122.227 122.820 0.167 0.000 1.894 480 A HA -0.354 3.954 4.320 -0.018 0.000 0.220 480 A C 2.152 179.827 177.584 0.152 0.000 1.237 480 A CA 2.849 55.000 52.037 0.191 0.000 0.660 480 A CB -0.817 18.301 19.000 0.197 0.000 0.835 480 A HN 0.635 nan 8.150 nan 0.000 0.461 481 K N -1.587 118.851 120.400 0.063 0.000 1.987 481 K HA -0.182 4.127 4.320 -0.018 0.000 0.216 481 K C 2.228 178.858 176.600 0.051 0.000 1.051 481 K CA 2.200 58.502 56.287 0.025 0.000 0.942 481 K CB -0.551 31.895 32.500 -0.089 0.000 0.722 481 K HN 0.575 nan 8.250 nan 0.000 0.444 482 T N 1.071 115.573 114.554 -0.087 0.000 2.544 482 T HA -0.203 4.135 4.350 -0.018 0.000 0.264 482 T C 1.934 176.677 174.700 0.071 0.000 1.096 482 T CA 2.027 64.099 62.100 -0.046 0.000 1.181 482 T CB -0.635 68.222 68.868 -0.020 0.000 0.864 482 T HN 0.034 nan 8.240 nan 0.000 0.415 483 V N 1.280 121.263 119.914 0.116 0.000 2.277 483 V HA -0.275 3.834 4.120 -0.018 0.000 0.255 483 V C 1.976 178.164 176.094 0.157 0.000 1.074 483 V CA 2.438 64.818 62.300 0.133 0.000 1.058 483 V CB -0.862 31.065 31.823 0.173 0.000 0.656 483 V HN 0.475 nan 8.190 nan 0.000 0.449 484 F N 0.872 120.859 119.950 0.062 0.000 2.075 484 F HA -0.183 4.333 4.527 -0.019 0.000 0.297 484 F C 2.392 178.214 175.800 0.036 0.000 1.113 484 F CA 2.294 60.331 58.000 0.062 0.000 1.218 484 F CB -0.301 38.746 39.000 0.079 0.000 0.984 484 F HN 0.124 nan 8.300 nan 0.000 0.472 485 E N 0.496 120.754 120.200 0.096 0.000 2.086 485 E HA -0.270 4.069 4.350 -0.018 0.000 0.200 485 E C 2.269 178.797 176.600 -0.120 0.000 1.012 485 E CA 1.842 58.205 56.400 -0.063 0.000 0.812 485 E CB -0.601 29.120 29.700 0.036 0.000 0.743 485 E HN 0.513 nan 8.360 nan 0.000 0.453 486 A N 0.151 122.940 122.820 -0.051 0.000 1.972 486 A HA -0.153 4.156 4.320 -0.018 0.000 0.219 486 A C 2.160 179.705 177.584 -0.065 0.000 1.169 486 A CA 1.104 53.117 52.037 -0.039 0.000 0.635 486 A CB -0.559 18.441 19.000 -0.000 0.000 0.810 486 A HN 0.206 nan 8.150 nan 0.000 0.446 487 L N -0.039 121.129 121.223 -0.092 0.000 2.093 487 L HA -0.225 4.104 4.340 -0.018 0.000 0.208 487 L C 2.804 179.573 176.870 -0.168 0.000 1.085 487 L CA 1.540 56.311 54.840 -0.115 0.000 0.755 487 L CB -0.512 41.489 42.059 -0.097 0.000 0.904 487 L HN 0.677 nan 8.230 nan 0.000 0.435 488 Q N 0.493 120.130 119.800 -0.271 0.000 2.515 488 Q HA 0.098 4.427 4.340 -0.018 0.000 0.212 488 Q C 0.885 176.805 176.000 -0.135 0.000 0.970 488 Q CA 0.343 56.004 55.803 -0.238 0.000 0.941 488 Q CB -0.254 28.280 28.738 -0.339 0.000 0.998 488 Q HN 0.368 nan 8.270 nan 0.000 0.518 489 A N 3.121 125.877 122.820 -0.106 0.000 2.492 489 A HA 0.128 4.437 4.320 -0.018 0.000 0.236 489 A C -1.157 176.394 177.584 -0.055 0.000 1.078 489 A CA -0.791 51.208 52.037 -0.065 0.000 0.773 489 A CB 0.032 19.004 19.000 -0.048 0.000 1.023 489 A HN 0.251 nan 8.150 nan 0.000 0.504 490 P HA 0.031 nan 4.420 nan 0.000 0.209 490 P C 0.624 177.903 177.300 -0.035 0.000 1.203 490 P CA 1.490 64.570 63.100 -0.033 0.000 0.916 490 P CB -0.115 31.571 31.700 -0.023 0.000 0.763 491 A N -0.663 122.141 122.820 -0.027 0.000 2.354 491 A HA 0.433 4.742 4.320 -0.018 0.000 0.269 491 A C -0.263 177.306 177.584 -0.024 0.000 1.109 491 A CA -0.192 51.829 52.037 -0.027 0.000 0.800 491 A CB -0.311 18.680 19.000 -0.015 0.000 1.045 491 A HN 0.464 nan 8.150 nan 0.000 0.489 492 C N 2.855 122.135 119.300 -0.033 0.000 2.727 492 C HA 0.540 4.989 4.460 -0.018 0.000 0.369 492 C C -0.189 174.782 174.990 -0.031 0.000 1.067 492 C CA -0.534 58.465 59.018 -0.032 0.000 1.273 492 C CB -0.560 27.143 27.740 -0.062 0.000 1.778 492 C HN 1.148 nan 8.230 nan 0.000 0.467 493 H N 2.049 121.065 119.070 -0.089 0.000 2.597 493 H HA 0.270 4.816 4.556 -0.018 0.000 0.370 493 H C 1.135 176.381 175.328 -0.136 0.000 1.281 493 H CA 0.869 56.854 56.048 -0.105 0.000 1.422 493 H CB 1.058 30.764 29.762 -0.094 0.000 1.524 493 H HN 0.755 nan 8.280 nan 0.000 0.607 494 E N 0.346 120.211 120.200 -0.560 0.000 2.060 494 E HA -0.118 4.221 4.350 -0.018 0.000 0.189 494 E C 1.528 178.003 176.600 -0.208 0.000 0.974 494 E CA 0.327 56.505 56.400 -0.370 0.000 0.808 494 E CB 0.152 29.567 29.700 -0.474 0.000 0.768 494 E HN 0.617 nan 8.360 nan 0.000 0.453 495 N N 1.404 120.116 118.700 0.020 0.000 2.334 495 N HA -0.183 4.546 4.740 -0.018 0.000 0.187 495 N C 1.932 177.306 175.510 -0.226 0.000 1.016 495 N CA 0.637 53.509 53.050 -0.296 0.000 0.879 495 N CB -0.132 38.185 38.487 -0.283 0.000 0.965 495 N HN 0.125 nan 8.380 nan 0.000 0.438 496 L N 0.843 122.035 121.223 -0.051 0.000 2.141 496 L HA -0.076 4.252 4.340 -0.018 0.000 0.209 496 L C 1.982 178.802 176.870 -0.082 0.000 1.094 496 L CA 1.039 55.850 54.840 -0.047 0.000 0.763 496 L CB -0.067 41.986 42.059 -0.010 0.000 0.908 496 L HN -0.129 nan 8.230 nan 0.000 0.437 497 V N -0.918 118.913 119.914 -0.138 0.000 2.379 497 V HA -0.180 3.929 4.120 -0.018 0.000 0.243 497 V C 2.457 178.446 176.094 -0.174 0.000 1.035 497 V CA 1.524 63.738 62.300 -0.142 0.000 1.035 497 V CB -0.558 31.166 31.823 -0.165 0.000 0.673 497 V HN 0.350 nan 8.190 nan 0.000 0.457 498 K N 0.161 120.375 120.400 -0.311 0.000 2.015 498 K HA -0.241 4.068 4.320 -0.018 0.000 0.220 498 K C 2.103 178.623 176.600 -0.133 0.000 1.055 498 K CA 2.173 58.214 56.287 -0.409 0.000 0.951 498 K CB -0.833 30.947 32.500 -1.199 0.000 0.725 498 K HN 0.243 nan 8.250 nan 0.000 0.449 499 V N 0.236 120.079 119.914 -0.118 0.000 2.295 499 V HA -0.199 3.910 4.120 -0.018 0.000 0.246 499 V C 2.209 178.407 176.094 0.173 0.000 1.049 499 V CA 2.327 64.709 62.300 0.138 0.000 1.024 499 V CB -0.682 31.221 31.823 0.134 0.000 0.648 499 V HN 0.631 nan 8.190 nan 0.000 0.447 500 G N -0.966 107.891 108.800 0.096 0.000 2.421 500 G HA2 -0.058 3.891 3.960 -0.018 0.000 0.217 500 G HA3 -0.058 3.891 3.960 -0.018 0.000 0.217 500 G C 1.521 176.498 174.900 0.128 0.000 1.143 500 G CA 0.828 46.002 45.100 0.124 0.000 0.784 500 G HN 0.590 nan 8.290 nan 0.000 0.541 501 G N 0.255 109.093 108.800 0.063 0.000 2.604 501 G HA2 -0.290 3.659 3.960 -0.018 0.000 0.216 501 G HA3 -0.290 3.659 3.960 -0.018 0.000 0.216 501 G C 1.509 176.441 174.900 0.053 0.000 1.265 501 G CA 1.100 46.198 45.100 -0.002 0.000 0.804 501 G HN 0.369 nan 8.290 nan 0.000 0.579 502 Y N 0.622 120.951 120.300 0.048 0.000 2.040 502 Y HA -0.247 4.292 4.550 -0.018 0.000 0.275 502 Y C 2.790 178.780 175.900 0.150 0.000 1.171 502 Y CA 1.975 60.136 58.100 0.102 0.000 1.123 502 Y CB -0.274 38.296 38.460 0.184 0.000 0.963 502 Y HN 0.180 nan 8.280 nan 0.000 0.493 503 I N -0.023 120.870 120.570 0.539 0.000 2.127 503 I HA -0.342 3.817 4.170 -0.018 0.000 0.241 503 I C 2.460 178.865 176.117 0.480 0.000 1.075 503 I CA 1.531 63.168 61.300 0.561 0.000 1.334 503 I CB -0.573 37.682 38.000 0.425 0.000 1.040 503 I HN 0.372 nan 8.210 nan 0.000 0.405 504 L N -0.364 121.067 121.223 0.347 0.000 2.201 504 L HA -0.075 4.254 4.340 -0.018 0.000 0.212 504 L C 2.288 179.380 176.870 0.369 0.000 1.105 504 L CA 1.246 56.304 54.840 0.362 0.000 0.775 504 L CB -0.792 41.460 42.059 0.321 0.000 0.913 504 L HN 0.375 nan 8.230 nan 0.000 0.440 505 G N 0.312 109.213 108.800 0.167 0.000 2.511 505 G HA2 -0.372 3.577 3.960 -0.018 0.000 0.216 505 G HA3 -0.372 3.577 3.960 -0.018 0.000 0.216 505 G C 1.264 176.253 174.900 0.148 0.000 1.218 505 G CA 0.959 46.087 45.100 0.047 0.000 0.788 505 G HN 0.562 nan 8.290 nan 0.000 0.560 506 E N -0.732 119.456 120.200 -0.020 0.000 2.465 506 E HA 0.246 4.585 4.350 -0.018 0.000 0.191 506 E C 0.625 176.868 176.600 -0.595 0.000 1.053 506 E CA -0.055 56.178 56.400 -0.279 0.000 0.869 506 E CB -0.163 29.316 29.700 -0.369 0.000 0.977 506 E HN 0.462 nan 8.360 nan 0.000 0.483 507 F N -1.877 118.213 119.950 0.233 0.000 2.880 507 F HA 0.384 4.901 4.527 -0.017 0.000 0.328 507 F C 1.779 177.708 175.800 0.215 0.000 1.146 507 F CA -0.390 57.730 58.000 0.200 0.000 1.135 507 F CB 0.881 39.992 39.000 0.186 0.000 1.151 507 F HN 0.131 nan 8.300 nan 0.000 0.523 508 G N 1.026 110.080 108.800 0.423 0.000 2.498 508 G HA2 -0.307 3.642 3.960 -0.018 0.000 0.219 508 G HA3 -0.307 3.642 3.960 -0.018 0.000 0.219 508 G C 1.332 176.420 174.900 0.313 0.000 1.119 508 G CA 1.313 46.638 45.100 0.376 0.000 0.766 508 G HN 0.592 nan 8.290 nan 0.000 0.552 509 N N 0.271 119.138 118.700 0.278 0.000 2.166 509 N HA -0.046 4.683 4.740 -0.018 0.000 0.186 509 N C 2.022 177.596 175.510 0.106 0.000 1.019 509 N CA 0.718 53.846 53.050 0.129 0.000 0.856 509 N CB -0.361 38.088 38.487 -0.064 0.000 0.993 509 N HN 0.325 nan 8.380 nan 0.000 0.426 510 L N -0.029 121.283 121.223 0.148 0.000 1.989 510 L HA -0.149 4.180 4.340 -0.018 0.000 0.211 510 L C 2.342 179.257 176.870 0.075 0.000 1.071 510 L CA 1.026 55.935 54.840 0.114 0.000 0.749 510 L CB -0.418 41.729 42.059 0.147 0.000 0.890 510 L HN 0.272 nan 8.230 nan 0.000 0.431 511 I N -0.154 120.462 120.570 0.076 0.000 2.928 511 I HA -0.075 4.084 4.170 -0.018 0.000 0.266 511 I C 2.328 178.428 176.117 -0.028 0.000 1.234 511 I CA 0.843 62.143 61.300 -0.000 0.000 1.483 511 I CB -0.429 37.542 38.000 -0.049 0.000 1.097 511 I HN 0.116 nan 8.210 nan 0.000 0.455 512 A N 0.294 123.140 122.820 0.042 0.000 2.131 512 A HA -0.040 4.269 4.320 -0.018 0.000 0.220 512 A C 2.384 179.984 177.584 0.026 0.000 1.158 512 A CA 1.343 53.422 52.037 0.071 0.000 0.665 512 A CB -1.543 17.622 19.000 0.274 0.000 0.795 512 A HN 0.485 nan 8.150 nan 0.000 0.460 513 G N -0.305 108.500 108.800 0.007 0.000 2.421 513 G HA2 -0.178 3.771 3.960 -0.018 0.000 0.216 513 G HA3 -0.178 3.771 3.960 -0.018 0.000 0.216 513 G C 0.581 175.474 174.900 -0.012 0.000 1.171 513 G CA 0.715 45.815 45.100 -0.001 0.000 0.775 513 G HN 0.466 nan 8.290 nan 0.000 0.543 514 D N 0.985 121.368 120.400 -0.029 0.000 2.472 514 D HA 0.123 4.752 4.640 -0.018 0.000 0.248 514 D C -1.109 175.173 176.300 -0.030 0.000 1.174 514 D CA -1.748 52.234 54.000 -0.029 0.000 0.883 514 D CB 1.459 42.230 40.800 -0.047 0.000 1.149 514 D HN -0.007 nan 8.370 nan 0.000 0.488 515 P HA -0.177 nan 4.420 nan 0.000 0.217 515 P C 0.902 178.214 177.300 0.020 0.000 1.148 515 P CA 1.359 64.463 63.100 0.007 0.000 0.834 515 P CB 0.064 31.773 31.700 0.015 0.000 0.783 516 R N -0.651 119.866 120.500 0.029 0.000 2.280 516 R HA 0.077 4.406 4.340 -0.018 0.000 0.207 516 R C 1.496 177.834 176.300 0.063 0.000 1.043 516 R CA 1.490 57.639 56.100 0.081 0.000 1.006 516 R CB -0.778 29.592 30.300 0.116 0.000 0.885 516 R HN 0.238 nan 8.270 nan 0.000 0.467 517 S N 0.217 115.856 115.700 -0.102 0.000 2.937 517 S HA 0.072 4.531 4.470 -0.018 0.000 0.252 517 S C 0.352 174.819 174.600 -0.222 0.000 1.022 517 S CA -0.324 57.654 58.200 -0.370 0.000 1.079 517 S CB 0.192 62.863 63.200 -0.881 0.000 1.035 517 S HN 0.336 nan 8.310 nan 0.000 0.594 518 S N 2.148 117.798 115.700 -0.083 0.000 2.587 518 S HA 0.105 4.564 4.470 -0.018 0.000 0.257 518 S C -1.401 173.126 174.600 -0.121 0.000 1.397 518 S CA 0.110 58.276 58.200 -0.057 0.000 0.983 518 S CB -0.454 62.736 63.200 -0.017 0.000 0.885 518 S HN 0.331 nan 8.310 nan 0.000 0.556 519 P HA -0.011 nan 4.420 nan 0.000 0.216 519 P C 2.075 179.218 177.300 -0.261 0.000 1.154 519 P CA 0.120 62.897 63.100 -0.538 0.000 0.857 519 P CB -0.287 30.677 31.700 -1.226 0.000 0.787 520 L N 0.399 121.525 121.223 -0.161 0.000 2.125 520 L HA -0.242 4.087 4.340 -0.018 0.000 0.234 520 L C 1.947 178.890 176.870 0.122 0.000 1.110 520 L CA 2.589 57.419 54.840 -0.018 0.000 0.832 520 L CB -1.595 40.455 42.059 -0.016 0.000 0.922 520 L HN -0.098 nan 8.230 nan 0.000 0.449 521 I N 0.192 120.825 120.570 0.105 0.000 2.163 521 I HA -0.304 3.855 4.170 -0.018 0.000 0.243 521 I C 2.807 179.110 176.117 0.309 0.000 1.085 521 I CA 1.476 62.893 61.300 0.195 0.000 1.347 521 I CB -1.462 36.657 38.000 0.198 0.000 1.044 521 I HN 0.496 nan 8.210 nan 0.000 0.408 522 Q N -0.300 119.678 119.800 0.298 0.000 2.135 522 Q HA -0.237 4.092 4.340 -0.018 0.000 0.204 522 Q C 2.250 178.584 176.000 0.558 0.000 0.981 522 Q CA 1.796 57.886 55.803 0.477 0.000 0.856 522 Q CB -0.370 28.612 28.738 0.408 0.000 0.902 522 Q HN 0.469 nan 8.270 nan 0.000 0.425 523 F N 2.228 122.409 119.950 0.384 0.000 2.037 523 F HA -0.166 4.350 4.527 -0.018 0.000 0.291 523 F C 1.781 177.682 175.800 0.168 0.000 1.137 523 F CA 1.465 59.636 58.000 0.284 0.000 1.178 523 F CB -0.390 38.697 39.000 0.145 0.000 0.995 523 F HN -0.021 nan 8.300 nan 0.000 0.472 524 N N 1.015 119.878 118.700 0.272 0.000 2.165 524 N HA -0.284 4.445 4.740 -0.018 0.000 0.198 524 N C 1.703 177.264 175.510 0.085 0.000 0.999 524 N CA 1.895 55.025 53.050 0.133 0.000 0.893 524 N CB -0.963 37.631 38.487 0.178 0.000 1.025 524 N HN 0.435 nan 8.380 nan 0.000 0.456 525 L N 0.563 121.861 121.223 0.125 0.000 1.961 525 L HA -0.003 4.326 4.340 -0.018 0.000 0.209 525 L C 1.977 178.882 176.870 0.058 0.000 1.075 525 L CA 1.077 55.966 54.840 0.081 0.000 0.749 525 L CB -0.579 41.540 42.059 0.099 0.000 0.890 525 L HN 0.087 nan 8.230 nan 0.000 0.433 526 L N -0.571 120.704 121.223 0.086 0.000 2.302 526 L HA -0.351 3.977 4.340 -0.018 0.000 0.218 526 L C 2.467 179.419 176.870 0.136 0.000 1.100 526 L CA 1.533 56.418 54.840 0.075 0.000 0.774 526 L CB -0.696 41.405 42.059 0.070 0.000 0.896 526 L HN 0.514 nan 8.230 nan 0.000 0.439 527 H N -1.409 117.601 119.070 -0.099 0.000 2.451 527 H HA -0.072 4.473 4.556 -0.019 0.000 0.294 527 H C 2.478 177.838 175.328 0.053 0.000 1.028 527 H CA 0.947 56.930 56.048 -0.108 0.000 1.349 527 H CB 0.473 29.938 29.762 -0.495 0.000 1.444 527 H HN 0.417 nan 8.280 nan 0.000 0.538 528 S N 0.874 116.599 115.700 0.042 0.000 2.383 528 S HA -0.146 4.313 4.470 -0.018 0.000 0.229 528 S C 1.951 176.513 174.600 -0.062 0.000 1.030 528 S CA 0.924 59.156 58.200 0.054 0.000 1.002 528 S CB -0.104 63.124 63.200 0.046 0.000 0.829 528 S HN 0.184 nan 8.310 nan 0.000 0.467 529 K N 0.954 121.325 120.400 -0.047 0.000 2.103 529 K HA 0.048 4.357 4.320 -0.018 0.000 0.207 529 K C 1.612 178.139 176.600 -0.123 0.000 1.048 529 K CA 1.158 57.380 56.287 -0.109 0.000 0.930 529 K CB -1.213 31.241 32.500 -0.076 0.000 0.716 529 K HN 0.550 nan 8.250 nan 0.000 0.444 530 F N 2.700 122.556 119.950 -0.157 0.000 2.063 530 F HA -0.307 4.209 4.527 -0.018 0.000 0.298 530 F C 2.407 178.120 175.800 -0.145 0.000 1.109 530 F CA 2.190 60.123 58.000 -0.113 0.000 1.212 530 F CB -0.234 38.761 39.000 -0.007 0.000 0.973 530 F HN 0.347 nan 8.300 nan 0.000 0.480 531 H N -0.153 118.986 119.070 0.116 0.000 2.563 531 H HA 0.091 4.636 4.556 -0.018 0.000 0.272 531 H C -0.320 174.992 175.328 -0.028 0.000 1.005 531 H CA 0.651 56.753 56.048 0.091 0.000 1.171 531 H CB -0.967 28.811 29.762 0.026 0.000 1.351 531 H HN 0.343 nan 8.280 nan 0.000 0.602 532 L N 0.586 121.641 121.223 -0.280 0.000 2.454 532 L HA 0.493 4.822 4.340 -0.018 0.000 0.258 532 L C -1.260 175.460 176.870 -0.250 0.000 1.025 532 L CA -0.414 54.290 54.840 -0.227 0.000 0.901 532 L CB 1.392 43.291 42.059 -0.266 0.000 1.210 532 L HN 0.044 nan 8.230 nan 0.000 0.457 533 C N 1.038 120.192 119.300 -0.243 0.000 3.178 533 C HA 0.380 4.829 4.460 -0.018 0.000 0.428 533 C C 0.449 175.290 174.990 -0.248 0.000 0.967 533 C CA -0.864 57.986 59.018 -0.279 0.000 1.205 533 C CB 1.871 29.388 27.740 -0.372 0.000 1.584 533 C HN 0.936 nan 8.230 nan 0.000 0.591 534 S N 2.482 118.063 115.700 -0.200 0.000 2.550 534 S HA 0.173 4.632 4.470 -0.018 0.000 0.285 534 S C 1.473 175.983 174.600 -0.151 0.000 1.326 534 S CA 0.185 58.297 58.200 -0.146 0.000 1.037 534 S CB 0.328 63.460 63.200 -0.113 0.000 0.838 534 S HN 1.605 nan 8.310 nan 0.000 0.519 535 V N -0.577 119.276 119.914 -0.102 0.000 2.218 535 V HA -0.174 3.935 4.120 -0.018 0.000 0.251 535 V C -0.486 175.561 176.094 -0.078 0.000 1.057 535 V CA 1.815 64.064 62.300 -0.084 0.000 1.022 535 V CB -2.880 28.921 31.823 -0.037 0.000 0.645 535 V HN 0.713 nan 8.190 nan 0.000 0.451 536 P HA -0.186 nan 4.420 nan 0.000 0.218 536 P C 1.908 179.205 177.300 -0.005 0.000 1.154 536 P CA 2.662 65.776 63.100 0.022 0.000 0.872 536 P CB -0.440 31.305 31.700 0.074 0.000 0.790 537 T N -1.252 113.251 114.554 -0.085 0.000 2.777 537 T HA -0.094 4.245 4.350 -0.018 0.000 0.266 537 T C 1.794 176.365 174.700 -0.216 0.000 1.040 537 T CA 1.206 63.213 62.100 -0.155 0.000 1.141 537 T CB -0.442 68.288 68.868 -0.229 0.000 0.868 537 T HN 0.171 nan 8.240 nan 0.000 0.444 538 R N 0.925 121.246 120.500 -0.299 0.000 2.090 538 R HA 0.146 4.475 4.340 -0.018 0.000 0.228 538 R C 2.860 179.083 176.300 -0.129 0.000 1.110 538 R CA 0.959 56.786 56.100 -0.454 0.000 0.973 538 R CB -0.496 29.355 30.300 -0.749 0.000 0.869 538 R HN 0.341 nan 8.270 nan 0.000 0.440 539 A N 1.783 124.572 122.820 -0.051 0.000 1.896 539 A HA -0.239 4.070 4.320 -0.018 0.000 0.220 539 A C 2.124 179.732 177.584 0.040 0.000 1.206 539 A CA 1.461 53.517 52.037 0.032 0.000 0.647 539 A CB -0.857 18.167 19.000 0.041 0.000 0.828 539 A HN 0.228 nan 8.150 nan 0.000 0.455 540 L N -1.160 120.067 121.223 0.007 0.000 1.978 540 L HA -0.281 4.048 4.340 -0.018 0.000 0.218 540 L C 2.695 179.488 176.870 -0.128 0.000 1.075 540 L CA 2.199 57.026 54.840 -0.022 0.000 0.767 540 L CB -0.717 41.341 42.059 -0.001 0.000 0.890 540 L HN 0.444 nan 8.230 nan 0.000 0.434 541 L N -0.917 120.192 121.223 -0.190 0.000 2.131 541 L HA -0.245 4.084 4.340 -0.018 0.000 0.210 541 L C 2.459 178.876 176.870 -0.754 0.000 1.092 541 L CA 0.911 55.501 54.840 -0.416 0.000 0.759 541 L CB -0.400 41.520 42.059 -0.232 0.000 0.903 541 L HN 0.255 nan 8.230 nan 0.000 0.435 542 L N -0.824 120.290 121.223 -0.183 0.000 1.976 542 L HA -0.225 4.104 4.340 -0.018 0.000 0.209 542 L C 2.857 179.790 176.870 0.104 0.000 1.071 542 L CA 1.816 56.702 54.840 0.076 0.000 0.746 542 L CB -0.717 41.518 42.059 0.293 0.000 0.890 542 L HN 0.409 nan 8.230 nan 0.000 0.432 543 S N -1.440 114.329 115.700 0.115 0.000 2.419 543 S HA -0.177 4.282 4.470 -0.018 0.000 0.233 543 S C 1.906 176.386 174.600 -0.200 0.000 1.016 543 S CA 1.745 59.923 58.200 -0.036 0.000 0.974 543 S CB -0.350 62.883 63.200 0.055 0.000 0.786 543 S HN 0.368 nan 8.310 nan 0.000 0.492 544 T N 1.064 115.475 114.554 -0.237 0.000 2.737 544 T HA -0.012 4.327 4.350 -0.018 0.000 0.265 544 T C 1.272 175.894 174.700 -0.131 0.000 1.038 544 T CA 1.650 63.581 62.100 -0.282 0.000 1.144 544 T CB -0.629 67.986 68.868 -0.421 0.000 0.866 544 T HN 0.669 nan 8.240 nan 0.000 0.434 545 Y N 0.566 120.841 120.300 -0.043 0.000 2.193 545 Y HA -0.125 4.413 4.550 -0.018 0.000 0.285 545 Y C 2.416 178.379 175.900 0.105 0.000 1.166 545 Y CA 0.403 58.578 58.100 0.124 0.000 1.181 545 Y CB -0.260 38.339 38.460 0.231 0.000 0.976 545 Y HN 0.186 nan 8.280 nan 0.000 0.520 546 I N 0.076 120.702 120.570 0.093 0.000 2.500 546 I HA -0.251 3.908 4.170 -0.018 0.000 0.252 546 I C 1.946 178.065 176.117 0.002 0.000 1.142 546 I CA 1.160 62.437 61.300 -0.039 0.000 1.451 546 I CB -0.089 37.709 38.000 -0.337 0.000 1.093 546 I HN 0.240 nan 8.210 nan 0.000 0.430 547 K N 0.282 120.682 120.400 0.001 0.000 1.991 547 K HA -0.208 4.101 4.320 -0.018 0.000 0.212 547 K C 1.972 178.743 176.600 0.285 0.000 1.049 547 K CA 1.577 57.909 56.287 0.075 0.000 0.932 547 K CB -0.339 32.176 32.500 0.024 0.000 0.717 547 K HN 0.054 nan 8.250 nan 0.000 0.441 548 F N 1.282 121.298 119.950 0.110 0.000 2.141 548 F HA -0.288 4.228 4.527 -0.019 0.000 0.300 548 F C 2.186 178.081 175.800 0.158 0.000 1.079 548 F CA 1.036 59.137 58.000 0.167 0.000 1.264 548 F CB -0.903 38.180 39.000 0.138 0.000 1.011 548 F HN -0.181 nan 8.300 nan 0.000 0.487 549 V N 0.491 120.548 119.914 0.238 0.000 2.216 549 V HA -0.354 3.755 4.120 -0.018 0.000 0.243 549 V C 2.409 178.562 176.094 0.098 0.000 1.044 549 V CA 2.195 64.562 62.300 0.112 0.000 0.995 549 V CB -1.088 30.770 31.823 0.058 0.000 0.633 549 V HN 0.476 nan 8.190 nan 0.000 0.446 550 N N 0.676 119.416 118.700 0.068 0.000 2.272 550 N HA -0.170 4.559 4.740 -0.018 0.000 0.185 550 N C 1.616 177.123 175.510 -0.005 0.000 1.014 550 N CA 1.495 54.556 53.050 0.020 0.000 0.870 550 N CB -0.126 38.358 38.487 -0.005 0.000 0.975 550 N HN 0.527 nan 8.380 nan 0.000 0.433 551 L N -0.809 120.440 121.223 0.042 0.000 2.591 551 L HA 0.157 4.486 4.340 -0.018 0.000 0.228 551 L C 0.121 176.737 176.870 -0.423 0.000 1.133 551 L CA 0.120 54.878 54.840 -0.138 0.000 0.880 551 L CB 0.078 42.103 42.059 -0.057 0.000 1.033 551 L HN 0.035 nan 8.230 nan 0.000 0.450 552 F N -2.088 117.801 119.950 -0.101 0.000 2.608 552 F HA 0.251 4.766 4.527 -0.019 0.000 0.383 552 F C -1.564 174.169 175.800 -0.112 0.000 1.371 552 F CA -1.258 56.660 58.000 -0.135 0.000 1.123 552 F CB 0.157 39.022 39.000 -0.225 0.000 1.207 552 F HN -0.165 nan 8.300 nan 0.000 0.512 553 P HA -0.364 nan 4.420 nan 0.000 0.224 553 P C 1.629 178.934 177.300 0.008 0.000 1.031 553 P CA 2.451 65.551 63.100 -0.000 0.000 1.031 553 P CB 0.120 31.803 31.700 -0.029 0.000 0.742 554 E N -1.602 118.608 120.200 0.017 0.000 2.549 554 E HA -0.329 4.010 4.350 -0.018 0.000 0.249 554 E C 1.793 178.379 176.600 -0.022 0.000 1.084 554 E CA 2.499 58.908 56.400 0.015 0.000 1.243 554 E CB -0.826 28.914 29.700 0.067 0.000 1.105 554 E HN 0.066 nan 8.360 nan 0.000 0.477 555 V N -0.206 119.686 119.914 -0.037 0.000 2.426 555 V HA -0.152 3.957 4.120 -0.018 0.000 0.242 555 V C 2.208 178.206 176.094 -0.160 0.000 1.036 555 V CA 1.785 64.004 62.300 -0.135 0.000 1.044 555 V CB -0.260 31.424 31.823 -0.232 0.000 0.688 555 V HN 0.342 nan 8.190 nan 0.000 0.462 556 K N -0.044 120.287 120.400 -0.115 0.000 2.527 556 K HA -0.415 3.894 4.320 -0.018 0.000 0.207 556 K C 1.856 178.383 176.600 -0.122 0.000 0.978 556 K CA 2.384 58.609 56.287 -0.104 0.000 0.892 556 K CB -0.606 31.865 32.500 -0.050 0.000 1.104 556 K HN 0.543 nan 8.250 nan 0.000 0.508 557 A N 0.058 122.812 122.820 -0.109 0.000 1.852 557 A HA -0.270 4.039 4.320 -0.018 0.000 0.217 557 A C 2.221 179.721 177.584 -0.140 0.000 1.215 557 A CA 3.014 54.990 52.037 -0.100 0.000 0.641 557 A CB -1.471 17.480 19.000 -0.081 0.000 0.838 557 A HN 0.591 nan 8.150 nan 0.000 0.450 558 T N 0.646 115.085 114.554 -0.192 0.000 2.665 558 T HA -0.159 4.180 4.350 -0.018 0.000 0.268 558 T C 1.845 176.328 174.700 -0.362 0.000 1.035 558 T CA 1.616 63.566 62.100 -0.250 0.000 1.151 558 T CB -0.519 68.170 68.868 -0.298 0.000 0.862 558 T HN 0.391 nan 8.240 nan 0.000 0.438 559 I N 1.129 121.397 120.570 -0.503 0.000 2.127 559 I HA -0.244 3.914 4.170 -0.018 0.000 0.241 559 I C 2.825 178.820 176.117 -0.202 0.000 1.075 559 I CA 1.655 62.659 61.300 -0.493 0.000 1.334 559 I CB -0.746 37.019 38.000 -0.392 0.000 1.040 559 I HN 0.373 nan 8.210 nan 0.000 0.405 560 Q N 0.604 120.325 119.800 -0.132 0.000 2.002 560 Q HA -0.266 4.063 4.340 -0.018 0.000 0.204 560 Q C 1.905 177.869 176.000 -0.060 0.000 0.988 560 Q CA 1.991 57.758 55.803 -0.060 0.000 0.843 560 Q CB -0.188 28.524 28.738 -0.042 0.000 0.908 560 Q HN 0.353 nan 8.270 nan 0.000 0.420 561 D N -0.499 119.856 120.400 -0.075 0.000 2.585 561 D HA -0.224 4.405 4.640 -0.018 0.000 0.190 561 D C 1.624 177.894 176.300 -0.051 0.000 1.057 561 D CA 1.538 55.501 54.000 -0.061 0.000 0.900 561 D CB -0.135 40.620 40.800 -0.075 0.000 0.900 561 D HN 0.070 nan 8.370 nan 0.000 0.463 562 V N 0.313 120.181 119.914 -0.076 0.000 2.283 562 V HA -0.112 3.997 4.120 -0.018 0.000 0.239 562 V C 2.131 178.205 176.094 -0.033 0.000 1.035 562 V CA 1.357 63.618 62.300 -0.066 0.000 1.018 562 V CB -0.646 31.096 31.823 -0.134 0.000 0.658 562 V HN 0.325 nan 8.190 nan 0.000 0.459 563 L N -0.831 120.386 121.223 -0.010 0.000 2.798 563 L HA 0.161 4.490 4.340 -0.018 0.000 0.254 563 L C 1.776 178.668 176.870 0.036 0.000 1.176 563 L CA 1.141 56.010 54.840 0.049 0.000 0.991 563 L CB -0.535 41.604 42.059 0.134 0.000 1.225 563 L HN 0.147 nan 8.230 nan 0.000 0.420 564 R N 0.014 120.521 120.500 0.012 0.000 2.470 564 R HA 0.143 4.472 4.340 -0.018 0.000 0.210 564 R C 0.897 177.201 176.300 0.007 0.000 0.873 564 R CA 0.618 56.724 56.100 0.010 0.000 1.015 564 R CB 0.493 30.793 30.300 0.000 0.000 1.348 564 R HN 0.598 nan 8.270 nan 0.000 0.650 565 S N 0.887 116.589 115.700 0.003 0.000 2.568 565 S HA 0.000 4.459 4.470 -0.018 0.000 0.282 565 S C 0.408 175.015 174.600 0.012 0.000 1.338 565 S CA -0.277 57.926 58.200 0.005 0.000 1.045 565 S CB 1.061 64.262 63.200 0.003 0.000 0.873 565 S HN 0.108 nan 8.310 nan 0.000 0.516 566 D N 2.575 122.982 120.400 0.011 0.000 2.192 566 D HA -0.176 4.453 4.640 -0.018 0.000 0.189 566 D C 2.133 178.448 176.300 0.024 0.000 1.007 566 D CA 2.327 56.336 54.000 0.015 0.000 0.859 566 D CB -0.846 39.961 40.800 0.011 0.000 0.936 566 D HN 0.679 nan 8.370 nan 0.000 0.447 567 S N -0.142 115.573 115.700 0.026 0.000 2.399 567 S HA -0.277 4.182 4.470 -0.018 0.000 0.235 567 S C 1.826 176.464 174.600 0.063 0.000 1.063 567 S CA 1.590 59.815 58.200 0.041 0.000 1.070 567 S CB -0.314 62.909 63.200 0.037 0.000 0.904 567 S HN 0.321 nan 8.310 nan 0.000 0.456 568 Q N -0.444 119.391 119.800 0.058 0.000 2.396 568 Q HA 0.414 4.743 4.340 -0.018 0.000 0.209 568 Q C 1.858 177.893 176.000 0.059 0.000 0.906 568 Q CA 0.176 56.029 55.803 0.082 0.000 0.927 568 Q CB 0.110 28.898 28.738 0.082 0.000 1.069 568 Q HN 0.434 nan 8.270 nan 0.000 0.523 569 L N -0.407 120.839 121.223 0.039 0.000 2.185 569 L HA 0.099 4.428 4.340 -0.018 0.000 0.198 569 L C 1.053 177.935 176.870 0.020 0.000 1.079 569 L CA 0.583 55.438 54.840 0.025 0.000 0.780 569 L CB 0.177 42.247 42.059 0.019 0.000 0.955 569 L HN -0.068 nan 8.230 nan 0.000 0.462 570 K N 1.075 121.488 120.400 0.021 0.000 2.836 570 K HA -0.000 4.308 4.320 -0.018 0.000 0.236 570 K C 0.166 176.781 176.600 0.024 0.000 1.015 570 K CA -0.193 56.105 56.287 0.018 0.000 1.194 570 K CB -0.620 31.889 32.500 0.015 0.000 1.002 570 K HN 0.273 nan 8.250 nan 0.000 0.479 571 N N 0.182 118.901 118.700 0.031 0.000 2.415 571 N HA -0.022 4.707 4.740 -0.018 0.000 0.248 571 N C 0.592 176.119 175.510 0.029 0.000 1.271 571 N CA 0.130 53.205 53.050 0.041 0.000 0.913 571 N CB 1.063 39.584 38.487 0.058 0.000 1.129 571 N HN 0.127 nan 8.380 nan 0.000 0.444 572 A N 1.487 124.325 122.820 0.030 0.000 2.178 572 A HA 0.020 4.329 4.320 -0.018 0.000 0.211 572 A C 0.366 177.959 177.584 0.015 0.000 1.157 572 A CA 0.504 52.552 52.037 0.019 0.000 0.780 572 A CB 0.021 19.031 19.000 0.018 0.000 0.828 572 A HN 0.811 nan 8.150 nan 0.000 0.476 573 D N -2.019 118.392 120.400 0.018 0.000 2.362 573 D HA 0.440 5.069 4.640 -0.018 0.000 0.247 573 D C 1.019 177.324 176.300 0.010 0.000 1.050 573 D CA -0.463 53.544 54.000 0.012 0.000 0.839 573 D CB 1.800 42.607 40.800 0.012 0.000 1.283 573 D HN -0.179 nan 8.370 nan 0.000 0.477 574 V N 3.136 123.053 119.914 0.005 0.000 2.252 574 V HA -0.212 3.897 4.120 -0.018 0.000 0.249 574 V C 2.109 178.199 176.094 -0.006 0.000 1.056 574 V CA 1.677 63.976 62.300 -0.001 0.000 1.022 574 V CB -0.502 31.321 31.823 -0.001 0.000 0.641 574 V HN 0.671 nan 8.190 nan 0.000 0.445 575 E N 0.111 120.310 120.200 -0.002 0.000 2.077 575 E HA -0.147 4.192 4.350 -0.018 0.000 0.193 575 E C 2.137 178.730 176.600 -0.012 0.000 0.989 575 E CA 1.301 57.697 56.400 -0.006 0.000 0.800 575 E CB -0.320 29.384 29.700 0.007 0.000 0.746 575 E HN 0.584 nan 8.360 nan 0.000 0.452 576 L N 0.413 121.643 121.223 0.012 0.000 2.291 576 L HA -0.075 4.254 4.340 -0.018 0.000 0.214 576 L C 2.616 179.498 176.870 0.020 0.000 1.120 576 L CA 0.583 55.446 54.840 0.039 0.000 0.799 576 L CB -0.396 41.717 42.059 0.090 0.000 0.925 576 L HN 0.108 nan 8.230 nan 0.000 0.446 577 Q N 0.672 120.474 119.800 0.002 0.000 1.896 577 Q HA -0.250 4.079 4.340 -0.018 0.000 0.205 577 Q C 2.151 178.116 176.000 -0.057 0.000 0.978 577 Q CA 1.551 57.346 55.803 -0.014 0.000 0.850 577 Q CB -0.089 28.645 28.738 -0.006 0.000 0.908 577 Q HN 0.202 nan 8.270 nan 0.000 0.431 578 Q N 0.354 120.117 119.800 -0.060 0.000 2.094 578 Q HA -0.319 4.010 4.340 -0.018 0.000 0.217 578 Q C 1.986 177.873 176.000 -0.189 0.000 1.046 578 Q CA 2.827 58.576 55.803 -0.091 0.000 0.911 578 Q CB -0.238 28.458 28.738 -0.069 0.000 1.038 578 Q HN 0.351 nan 8.270 nan 0.000 0.422 579 R N -1.005 119.348 120.500 -0.246 0.000 2.070 579 R HA -0.106 4.223 4.340 -0.018 0.000 0.232 579 R C 2.325 178.305 176.300 -0.533 0.000 1.138 579 R CA 1.288 57.061 56.100 -0.545 0.000 0.936 579 R CB -0.796 29.297 30.300 -0.346 0.000 0.839 579 R HN 0.420 nan 8.270 nan 0.000 0.429 580 A N 0.901 123.607 122.820 -0.189 0.000 1.917 580 A HA -0.165 4.144 4.320 -0.018 0.000 0.219 580 A C 2.444 179.994 177.584 -0.057 0.000 1.182 580 A CA 1.815 53.821 52.037 -0.052 0.000 0.633 580 A CB -0.719 18.297 19.000 0.027 0.000 0.819 580 A HN 0.147 nan 8.150 nan 0.000 0.448 581 V N -0.328 119.537 119.914 -0.082 0.000 2.237 581 V HA -0.292 3.817 4.120 -0.018 0.000 0.245 581 V C 2.441 178.502 176.094 -0.055 0.000 1.046 581 V CA 2.421 64.691 62.300 -0.050 0.000 1.007 581 V CB -0.920 30.877 31.823 -0.042 0.000 0.638 581 V HN 0.660 nan 8.190 nan 0.000 0.445 582 E N -0.766 119.346 120.200 -0.145 0.000 2.058 582 E HA -0.238 4.101 4.350 -0.018 0.000 0.194 582 E C 2.226 178.891 176.600 0.108 0.000 0.997 582 E CA 1.972 58.328 56.400 -0.073 0.000 0.801 582 E CB -0.238 29.360 29.700 -0.170 0.000 0.746 582 E HN 0.710 nan 8.360 nan 0.000 0.450 583 Y N 0.363 120.688 120.300 0.041 0.000 2.242 583 Y HA -0.146 4.393 4.550 -0.018 0.000 0.291 583 Y C 2.235 178.159 175.900 0.040 0.000 1.137 583 Y CA 0.289 58.417 58.100 0.046 0.000 1.181 583 Y CB -0.961 37.539 38.460 0.067 0.000 0.989 583 Y HN 0.102 nan 8.280 nan 0.000 0.527 584 L N 0.056 121.374 121.223 0.159 0.000 1.978 584 L HA -0.310 4.019 4.340 -0.018 0.000 0.218 584 L C 2.518 179.434 176.870 0.076 0.000 1.075 584 L CA 2.046 56.941 54.840 0.091 0.000 0.767 584 L CB -0.325 41.765 42.059 0.051 0.000 0.890 584 L HN 0.180 nan 8.230 nan 0.000 0.434 585 R N -0.027 120.515 120.500 0.068 0.000 2.105 585 R HA -0.137 4.192 4.340 -0.018 0.000 0.239 585 R C 2.114 178.452 176.300 0.064 0.000 1.135 585 R CA 1.227 57.359 56.100 0.054 0.000 0.967 585 R CB -0.975 29.350 30.300 0.041 0.000 0.861 585 R HN 0.441 nan 8.270 nan 0.000 0.442 586 L N 0.558 121.839 121.223 0.096 0.000 2.492 586 L HA -0.006 4.323 4.340 -0.018 0.000 0.223 586 L C 2.166 179.071 176.870 0.058 0.000 1.132 586 L CA 0.764 55.650 54.840 0.077 0.000 0.850 586 L CB -0.287 41.827 42.059 0.092 0.000 0.966 586 L HN 0.134 nan 8.230 nan 0.000 0.454 587 S N -1.528 114.209 115.700 0.063 0.000 2.341 587 S HA -0.121 4.337 4.470 -0.018 0.000 0.216 587 S C 1.941 176.556 174.600 0.025 0.000 1.034 587 S CA 1.004 59.226 58.200 0.037 0.000 0.964 587 S CB -0.814 62.407 63.200 0.035 0.000 0.882 587 S HN 0.284 nan 8.310 nan 0.000 0.469 588 T N 2.864 117.435 114.554 0.028 0.000 2.427 588 T HA -0.163 4.176 4.350 -0.018 0.000 0.244 588 T C 1.729 176.439 174.700 0.016 0.000 1.325 588 T CA 2.120 64.231 62.100 0.019 0.000 1.173 588 T CB -0.947 67.933 68.868 0.021 0.000 0.859 588 T HN 0.271 nan 8.240 nan 0.000 0.415 589 V N 0.892 120.818 119.914 0.020 0.000 2.458 589 V HA 0.454 4.563 4.120 -0.018 0.000 0.180 589 V C 1.114 177.217 176.094 0.015 0.000 1.083 589 V CA 0.121 62.431 62.300 0.016 0.000 1.279 589 V CB -1.241 30.592 31.823 0.017 0.000 0.803 589 V HN 0.919 nan 8.190 nan 0.000 0.469 590 A N 1.118 123.949 122.820 0.017 0.000 1.473 590 A HA -0.175 4.134 4.320 -0.018 0.000 0.191 590 A C 1.555 179.143 177.584 0.008 0.000 1.207 590 A CA 0.790 52.836 52.037 0.016 0.000 0.662 590 A CB -1.244 17.769 19.000 0.022 0.000 1.122 590 A HN 1.510 nan 8.150 nan 0.000 0.182 591 S N 2.006 117.709 115.700 0.005 0.000 2.448 591 S HA -0.172 4.287 4.470 -0.018 0.000 0.247 591 S C 1.560 176.159 174.600 -0.002 0.000 1.033 591 S CA 2.536 60.737 58.200 0.001 0.000 1.003 591 S CB -0.668 62.532 63.200 -0.000 0.000 0.786 591 S HN 2.466 nan 8.310 nan 0.000 0.495 592 T N 0.280 114.832 114.554 -0.002 0.000 13.587 592 T HA -0.198 4.141 4.350 -0.018 0.000 0.414 592 T C 0.529 175.224 174.700 -0.010 0.000 1.482 592 T CA 1.020 63.115 62.100 -0.007 0.000 2.416 592 T CB -2.085 66.777 68.868 -0.011 0.000 2.724 592 T HN 0.462 nan 8.240 nan 0.000 0.434 593 D N 1.065 121.459 120.400 -0.010 0.000 2.263 593 D HA 0.085 4.714 4.640 -0.018 0.000 0.208 593 D C 1.784 178.078 176.300 -0.009 0.000 0.971 593 D CA 1.150 55.144 54.000 -0.011 0.000 0.867 593 D CB -0.165 40.629 40.800 -0.010 0.000 0.929 593 D HN 0.589 nan 8.370 nan 0.000 0.492 594 I N 0.454 121.021 120.570 -0.005 0.000 2.260 594 I HA -0.169 3.990 4.170 -0.018 0.000 0.237 594 I C 2.184 178.299 176.117 -0.004 0.000 1.075 594 I CA 0.370 61.669 61.300 -0.002 0.000 1.376 594 I CB -0.118 37.884 38.000 0.003 0.000 1.107 594 I HN -0.086 nan 8.210 nan 0.000 0.420 595 L N 1.768 122.990 121.223 -0.001 0.000 2.040 595 L HA -0.324 4.005 4.340 -0.018 0.000 0.228 595 L C 2.489 179.349 176.870 -0.015 0.000 1.092 595 L CA 2.950 57.788 54.840 -0.004 0.000 0.805 595 L CB -1.984 40.075 42.059 -0.001 0.000 0.905 595 L HN 0.443 nan 8.230 nan 0.000 0.443 596 A N 0.001 122.811 122.820 -0.018 0.000 1.849 596 A HA -0.304 4.005 4.320 -0.018 0.000 0.216 596 A C 2.188 179.758 177.584 -0.023 0.000 1.225 596 A CA 3.479 55.502 52.037 -0.024 0.000 0.653 596 A CB -1.605 17.380 19.000 -0.025 0.000 0.844 596 A HN 0.620 nan 8.150 nan 0.000 0.453 597 T N -0.320 114.223 114.554 -0.018 0.000 2.701 597 T HA -0.247 4.092 4.350 -0.018 0.000 0.265 597 T C 1.796 176.486 174.700 -0.017 0.000 1.032 597 T CA 1.938 64.029 62.100 -0.016 0.000 1.158 597 T CB -0.878 67.983 68.868 -0.011 0.000 0.854 597 T HN 0.234 nan 8.240 nan 0.000 0.463 598 V N 1.306 121.211 119.914 -0.015 0.000 2.220 598 V HA -0.108 4.001 4.120 -0.018 0.000 0.242 598 V C 1.664 177.742 176.094 -0.028 0.000 1.041 598 V CA 1.367 63.658 62.300 -0.015 0.000 0.990 598 V CB -0.699 31.120 31.823 -0.007 0.000 0.634 598 V HN 0.481 nan 8.190 nan 0.000 0.452 599 L N 1.646 122.844 121.223 -0.041 0.000 2.530 599 L HA 0.057 4.386 4.340 -0.018 0.000 0.247 599 L C 1.001 177.840 176.870 -0.050 0.000 1.416 599 L CA -0.004 54.800 54.840 -0.059 0.000 1.202 599 L CB -0.805 41.212 42.059 -0.071 0.000 1.415 599 L HN 0.397 nan 8.230 nan 0.000 0.443 600 E N 1.196 121.371 120.200 -0.042 0.000 4.517 600 E HA -0.021 4.318 4.350 -0.018 0.000 0.408 600 E C 0.977 177.551 176.600 -0.043 0.000 1.456 600 E CA 0.087 56.466 56.400 -0.035 0.000 2.449 600 E CB 0.486 30.171 29.700 -0.026 0.000 1.556 600 E HN 0.408 nan 8.360 nan 0.000 0.781 601 E N -0.740 119.441 120.200 -0.032 0.000 2.060 601 E HA 0.007 4.346 4.350 -0.018 0.000 0.189 601 E C -0.471 176.111 176.600 -0.031 0.000 0.974 601 E CA 0.484 56.862 56.400 -0.037 0.000 0.808 601 E CB 0.265 29.963 29.700 -0.003 0.000 0.768 601 E HN 0.162 nan 8.360 nan 0.000 0.453 602 M N 0.007 119.602 119.600 -0.007 0.000 4.045 602 M HA -0.057 4.412 4.480 -0.018 0.000 0.157 602 M C -2.707 173.606 176.300 0.021 0.000 1.532 602 M CA -0.632 54.673 55.300 0.008 0.000 1.097 602 M CB -1.567 31.067 32.600 0.057 0.000 1.346 602 M HN -0.061 nan 8.290 nan 0.000 0.192 603 P HA 0.349 nan 4.420 nan 0.000 0.267 603 P C -2.176 175.130 177.300 0.011 0.000 1.200 603 P CA -0.392 62.701 63.100 -0.013 0.000 0.772 603 P CB -0.192 31.476 31.700 -0.054 0.000 0.855 604 P HA -0.076 nan 4.420 nan 0.000 0.261 604 P C -0.191 177.144 177.300 0.059 0.000 1.165 604 P CA 0.600 63.760 63.100 0.101 0.000 0.759 604 P CB -0.029 31.715 31.700 0.073 0.000 0.772 605 F N 5.008 124.956 119.950 -0.005 0.000 2.607 605 F HA 0.033 4.550 4.527 -0.017 0.000 0.374 605 F C -0.755 175.032 175.800 -0.022 0.000 1.104 605 F CA -0.708 57.279 58.000 -0.020 0.000 1.296 605 F CB -0.664 38.315 39.000 -0.036 0.000 1.085 605 F HN 0.336 nan 8.300 nan 0.000 0.584 606 P HA -0.033 nan 4.420 nan 0.000 0.274 606 P C -0.741 176.617 177.300 0.098 0.000 1.264 606 P CA -0.270 62.876 63.100 0.077 0.000 0.795 606 P CB 0.550 32.274 31.700 0.040 0.000 1.064 607 E N 0.669 120.898 120.200 0.050 0.000 2.105 607 E HA 0.116 4.455 4.350 -0.018 0.000 0.285 607 E C 1.011 177.632 176.600 0.036 0.000 1.055 607 E CA -0.162 56.257 56.400 0.032 0.000 0.843 607 E CB 0.135 29.838 29.700 0.006 0.000 1.067 607 E HN 0.201 nan 8.360 nan 0.000 0.398 608 R N 2.552 123.079 120.500 0.045 0.000 1.240 608 R HA -0.061 4.268 4.340 -0.018 0.000 0.091 608 R C 0.928 177.244 176.300 0.028 0.000 0.586 608 R CA 1.123 57.254 56.100 0.052 0.000 1.956 608 R CB -0.064 30.263 30.300 0.045 0.000 0.524 608 R HN 0.570 nan 8.270 nan 0.000 0.749 609 E N -1.676 118.535 120.200 0.017 0.000 2.209 609 E HA -0.021 4.318 4.350 -0.018 0.000 0.192 609 E C -1.083 175.521 176.600 0.007 0.000 0.979 609 E CA 0.652 57.060 56.400 0.014 0.000 1.419 609 E CB 0.074 29.786 29.700 0.020 0.000 3.128 609 E HN 0.319 nan 8.360 nan 0.000 0.975 610 S N 0.154 115.855 115.700 0.002 0.000 3.896 610 S HA -0.158 4.301 4.470 -0.018 0.000 0.589 610 S C 1.012 175.613 174.600 0.002 0.000 0.691 610 S CA 0.952 59.150 58.200 -0.003 0.000 1.396 610 S CB -1.994 61.205 63.200 -0.002 0.000 0.831 610 S HN 0.915 nan 8.310 nan 0.000 0.800 611 S N 3.154 118.853 115.700 -0.002 0.000 2.392 611 S HA -0.194 4.265 4.470 -0.018 0.000 0.232 611 S C 1.650 176.241 174.600 -0.014 0.000 1.041 611 S CA 1.593 59.789 58.200 -0.006 0.000 1.026 611 S CB -0.425 62.767 63.200 -0.013 0.000 0.845 611 S HN 0.783 nan 8.310 nan 0.000 0.465 612 I N 1.011 121.574 120.570 -0.012 0.000 2.141 612 I HA -0.084 4.075 4.170 -0.018 0.000 0.236 612 I C 2.608 178.729 176.117 0.006 0.000 1.071 612 I CA 1.208 62.502 61.300 -0.010 0.000 1.345 612 I CB -0.423 37.579 38.000 0.004 0.000 1.066 612 I HN 0.250 nan 8.210 nan 0.000 0.406 613 L N 0.730 121.967 121.223 0.023 0.000 2.051 613 L HA -0.326 4.003 4.340 -0.018 0.000 0.214 613 L C 2.677 179.561 176.870 0.024 0.000 1.076 613 L CA 1.942 56.805 54.840 0.038 0.000 0.758 613 L CB -0.424 41.662 42.059 0.046 0.000 0.890 613 L HN 0.318 nan 8.230 nan 0.000 0.433 614 A N -0.578 122.250 122.820 0.014 0.000 1.859 614 A HA -0.334 3.975 4.320 -0.018 0.000 0.217 614 A C 2.380 179.966 177.584 0.003 0.000 1.198 614 A CA 2.320 54.362 52.037 0.009 0.000 0.629 614 A CB -0.739 18.265 19.000 0.006 0.000 0.830 614 A HN 0.450 nan 8.150 nan 0.000 0.446 615 K N -0.792 119.604 120.400 -0.007 0.000 2.034 615 K HA -0.191 4.118 4.320 -0.018 0.000 0.214 615 K C 2.027 178.622 176.600 -0.008 0.000 1.051 615 K CA 1.917 58.196 56.287 -0.013 0.000 0.931 615 K CB -0.418 32.066 32.500 -0.027 0.000 0.715 615 K HN 0.455 nan 8.250 nan 0.000 0.446 616 L N 1.069 122.287 121.223 -0.008 0.000 2.042 616 L HA -0.229 4.100 4.340 -0.018 0.000 0.210 616 L C 2.689 179.557 176.870 -0.004 0.000 1.076 616 L CA 1.506 56.337 54.840 -0.015 0.000 0.749 616 L CB -0.288 41.756 42.059 -0.025 0.000 0.893 616 L HN 0.218 nan 8.230 nan 0.000 0.432 617 K N 0.054 120.460 120.400 0.010 0.000 2.097 617 K HA -0.249 4.060 4.320 -0.018 0.000 0.206 617 K C 2.196 178.802 176.600 0.009 0.000 1.049 617 K CA 1.436 57.732 56.287 0.015 0.000 0.933 617 K CB 0.048 32.562 32.500 0.023 0.000 0.717 617 K HN 0.168 nan 8.250 nan 0.000 0.442 618 K N 0.703 121.107 120.400 0.005 0.000 2.057 618 K HA -0.112 4.197 4.320 -0.018 0.000 0.206 618 K C 1.914 178.516 176.600 0.003 0.000 1.050 618 K CA 1.214 57.504 56.287 0.004 0.000 0.935 618 K CB 0.146 32.647 32.500 0.002 0.000 0.715 618 K HN -0.047 nan 8.250 nan 0.000 0.439 619 K N 1.380 121.780 120.400 -0.000 0.000 2.113 619 K HA -0.155 4.154 4.320 -0.018 0.000 0.208 619 K C 0.779 177.379 176.600 -0.000 0.000 1.047 619 K CA 0.808 57.094 56.287 -0.000 0.000 0.928 619 K CB -0.364 32.133 32.500 -0.005 0.000 0.716 619 K HN -0.012 nan 8.250 nan 0.000 0.446 620 K N 1.362 121.762 120.400 -0.001 0.000 2.550 620 K HA 0.026 4.335 4.320 -0.018 0.000 0.280 620 K C 0.382 176.985 176.600 0.005 0.000 0.987 620 K CA 1.260 57.547 56.287 0.002 0.000 1.048 620 K CB -0.326 32.178 32.500 0.007 0.000 0.879 620 K HN 0.421 nan 8.250 nan 0.000 0.491 621 G N 0.000 108.803 108.800 0.004 0.000 5.446 621 G HA2 0.000 3.949 3.960 -0.018 0.000 0.244 621 G HA3 0.000 3.949 3.960 -0.018 0.000 0.244 621 G CA 0.000 45.103 45.100 0.005 0.000 0.502 621 G HN 0.000 nan 8.290 nan 0.000 0.925