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 3agj_1_D DATA FIRST_RESID -1 DATA SEQUENCE SHMRVEVLDN KRRIVRLRPE SEEDLWLLRI TLRPGDVVRK RTSRDVPVGS DATA SEQUENCE GRKERVVMTL RIRLDSIEFQ PFTGKLRISG IVVEGPDEFG VKGRRHSTAV DATA SEQUENCE SIGTWLVVER DKGWSEQELE RLAAGRARGT AVIAAVDYDE FALAVLAGHG DATA SEQUENCE MKILEDTSAR LPGKDDPSRE QEVEKYVDRA AKRIVEEAAR HRSPIAVIAG DATA SEQUENCE PGQLKTSVAE KVQRAMPSLK VATVDTSMGG VAGVREALRR ESVTRILREL DATA SEQUENCE SIVEAEGVLE EFLRRIAKSR DTVAYTPGEV LAVARMGAVD TVLLVDTLLH DATA SEQUENCE SPDDAVREAV DEALRLVESM GGRVIIIPGD SPAGERLVSF GGVIALLRYP DATA SEQUENCE VPQEARR 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.641 174.600 0.068 0.000 1.055 -1 S CA 0.000 58.213 58.200 0.022 0.000 1.107 -1 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 0 H N 2.072 121.128 119.070 -0.023 0.000 2.607 0 H HA 0.680 5.236 4.556 0.000 0.000 0.367 0 H C -0.104 175.192 175.328 -0.053 0.000 1.181 0 H CA 0.185 56.214 56.048 -0.031 0.000 1.402 0 H CB 1.312 31.059 29.762 -0.024 0.000 1.474 0 H HN 0.558 nan 8.280 nan 0.000 0.596 1 M N 2.614 122.213 119.600 -0.002 0.000 2.080 1 M HA 0.396 4.876 4.480 0.000 0.000 0.350 1 M C 0.119 176.288 176.300 -0.217 0.000 1.173 1 M CA -0.396 54.829 55.300 -0.125 0.000 1.052 1 M CB 0.268 32.791 32.600 -0.130 0.000 1.577 1 M HN 0.649 nan 8.290 nan 0.000 0.455 2 R N 3.216 123.617 120.500 -0.165 0.000 2.538 2 R HA 0.475 4.815 4.340 0.000 0.000 0.282 2 R C -0.887 175.340 176.300 -0.121 0.000 1.009 2 R CA 0.365 56.393 56.100 -0.120 0.000 1.063 2 R CB -0.113 30.160 30.300 -0.046 0.000 0.945 2 R HN 0.898 nan 8.270 nan 0.000 0.414 3 V N 2.589 122.433 119.914 -0.117 0.000 2.559 3 V HA 0.475 4.595 4.120 0.000 0.000 0.289 3 V C -1.147 174.892 176.094 -0.092 0.000 1.036 3 V CA -0.501 61.722 62.300 -0.128 0.000 0.887 3 V CB 1.619 33.322 31.823 -0.200 0.000 1.022 3 V HN 1.020 nan 8.190 nan 0.000 0.442 4 E N 4.899 125.065 120.200 -0.056 0.000 2.218 4 E HA 0.581 4.931 4.350 0.000 0.000 0.263 4 E C -1.088 175.485 176.600 -0.046 0.000 0.879 4 E CA -0.619 55.759 56.400 -0.036 0.000 0.762 4 E CB 2.277 31.978 29.700 0.001 0.000 1.166 4 E HN 0.615 nan 8.360 nan 0.000 0.415 5 V N 5.998 125.888 119.914 -0.039 0.000 2.715 5 V HA 0.031 4.151 4.120 0.000 0.000 0.299 5 V C 1.208 177.305 176.094 0.005 0.000 1.054 5 V CA 0.335 62.628 62.300 -0.013 0.000 1.077 5 V CB 1.056 32.886 31.823 0.011 0.000 0.972 5 V HN 0.796 nan 8.190 nan 0.000 0.484 6 L N 2.066 123.303 121.223 0.022 0.000 2.577 6 L HA 0.263 4.603 4.340 0.000 0.000 0.225 6 L C 0.470 177.354 176.870 0.023 0.000 1.053 6 L CA 0.130 54.979 54.840 0.016 0.000 0.866 6 L CB 0.197 42.264 42.059 0.014 0.000 1.132 6 L HN 0.774 nan 8.230 nan 0.000 0.486 7 D N -1.241 119.184 120.400 0.042 0.000 2.228 7 D HA 0.100 4.740 4.640 0.000 0.000 0.247 7 D C 0.334 176.656 176.300 0.036 0.000 0.995 7 D CA -0.570 53.452 54.000 0.036 0.000 0.903 7 D CB 0.807 41.632 40.800 0.043 0.000 1.205 7 D HN -0.141 nan 8.370 nan 0.000 0.459 8 N N 1.272 119.987 118.700 0.025 0.000 2.223 8 N HA -0.150 4.590 4.740 0.000 0.000 0.185 8 N C 1.142 176.668 175.510 0.027 0.000 1.016 8 N CA 0.667 53.730 53.050 0.022 0.000 0.863 8 N CB 0.047 38.542 38.487 0.014 0.000 0.983 8 N HN 0.518 nan 8.380 nan 0.000 0.429 9 K N 0.565 120.981 120.400 0.027 0.000 2.504 9 K HA 0.050 4.370 4.320 0.000 0.000 0.195 9 K C 0.038 176.660 176.600 0.038 0.000 1.036 9 K CA 0.039 56.340 56.287 0.023 0.000 0.984 9 K CB 0.209 32.717 32.500 0.013 0.000 0.788 9 K HN -0.128 nan 8.250 nan 0.000 0.488 10 R N -0.566 119.974 120.500 0.067 0.000 3.854 10 R HA -0.140 4.200 4.340 0.000 0.000 0.352 10 R C 0.004 176.413 176.300 0.180 0.000 1.156 10 R CA 0.834 57.003 56.100 0.115 0.000 0.917 10 R CB -1.659 28.694 30.300 0.088 0.000 1.471 10 R HN 0.304 nan 8.270 nan 0.000 0.521 11 R N -0.390 120.195 120.500 0.142 0.000 2.365 11 R HA 0.317 4.657 4.340 0.000 0.000 0.223 11 R C 0.206 176.679 176.300 0.288 0.000 0.899 11 R CA 0.110 56.269 56.100 0.099 0.000 1.059 11 R CB 0.847 31.137 30.300 -0.016 0.000 1.086 11 R HN 0.038 nan 8.270 nan 0.000 0.522 12 I N 2.114 122.864 120.570 0.300 0.000 2.420 12 I HA 0.265 4.435 4.170 0.000 0.000 0.282 12 I C -0.580 175.637 176.117 0.167 0.000 1.019 12 I CA -0.826 60.625 61.300 0.253 0.000 1.130 12 I CB 1.862 39.938 38.000 0.126 0.000 1.262 12 I HN -0.223 nan 8.210 nan 0.000 0.454 13 V N 7.731 127.694 119.914 0.081 0.000 2.581 13 V HA 0.562 4.682 4.120 0.000 0.000 0.303 13 V C -0.226 175.816 176.094 -0.087 0.000 1.041 13 V CA -0.651 61.555 62.300 -0.156 0.000 0.907 13 V CB 2.592 34.056 31.823 -0.598 0.000 0.994 13 V HN 0.861 nan 8.190 nan 0.000 0.442 14 R N 7.225 127.696 120.500 -0.048 0.000 2.343 14 R HA 0.688 5.028 4.340 0.000 0.000 0.320 14 R C -1.448 174.890 176.300 0.063 0.000 0.956 14 R CA -0.536 55.588 56.100 0.040 0.000 0.836 14 R CB 1.247 31.596 30.300 0.083 0.000 1.151 14 R HN 0.842 nan 8.270 nan 0.000 0.450 15 L N 0.805 122.059 121.223 0.052 0.000 2.303 15 L HA 0.750 5.090 4.340 0.000 0.000 0.256 15 L C -0.934 175.874 176.870 -0.104 0.000 1.034 15 L CA -1.346 53.476 54.840 -0.029 0.000 0.832 15 L CB 2.238 44.210 42.059 -0.145 0.000 1.403 15 L HN 0.635 nan 8.230 nan 0.000 0.419 16 R N 1.271 121.591 120.500 -0.299 0.000 2.569 16 R HA 0.457 4.797 4.340 0.000 0.000 0.293 16 R C -2.865 173.225 176.300 -0.349 0.000 1.186 16 R CA -1.448 54.339 56.100 -0.522 0.000 0.956 16 R CB 2.344 31.901 30.300 -1.239 0.000 1.196 16 R HN 0.436 nan 8.270 nan 0.000 0.444 17 P HA 0.051 nan 4.420 nan 0.000 0.267 17 P C -0.496 176.710 177.300 -0.157 0.000 1.209 17 P CA 0.247 63.247 63.100 -0.167 0.000 0.763 17 P CB 0.811 32.434 31.700 -0.129 0.000 0.816 18 E N 0.513 120.649 120.200 -0.108 0.000 2.526 18 E HA 0.108 4.458 4.350 0.000 0.000 0.208 18 E C 0.240 176.820 176.600 -0.032 0.000 0.997 18 E CA 0.011 56.364 56.400 -0.078 0.000 0.961 18 E CB 0.524 30.187 29.700 -0.060 0.000 1.030 18 E HN 0.531 nan 8.360 nan 0.000 0.483 19 S N -1.289 114.398 115.700 -0.022 0.000 2.656 19 S HA 0.216 4.686 4.470 0.000 0.000 0.273 19 S C 0.467 175.076 174.600 0.015 0.000 1.168 19 S CA -0.862 57.346 58.200 0.013 0.000 0.817 19 S CB 1.675 64.894 63.200 0.031 0.000 1.146 19 S HN 0.048 nan 8.310 nan 0.000 0.475 20 E N 0.300 120.534 120.200 0.057 0.000 2.216 20 E HA -0.103 4.247 4.350 0.000 0.000 0.192 20 E C 1.309 177.853 176.600 -0.092 0.000 0.988 20 E CA 1.181 57.609 56.400 0.048 0.000 0.834 20 E CB -0.060 29.733 29.700 0.154 0.000 0.772 20 E HN 0.654 nan 8.360 nan 0.000 0.479 21 E N 0.967 121.166 120.200 -0.002 0.000 2.150 21 E HA -0.198 4.152 4.350 0.000 0.000 0.193 21 E C 1.372 177.958 176.600 -0.022 0.000 0.985 21 E CA 0.879 57.284 56.400 0.009 0.000 0.814 21 E CB -0.260 29.515 29.700 0.125 0.000 0.752 21 E HN 0.339 nan 8.360 nan 0.000 0.466 22 D N 1.526 121.901 120.400 -0.042 0.000 2.097 22 D HA -0.099 4.541 4.640 0.000 0.000 0.195 22 D C 2.293 178.503 176.300 -0.149 0.000 0.989 22 D CA 0.746 54.699 54.000 -0.079 0.000 0.827 22 D CB -0.375 40.380 40.800 -0.075 0.000 0.966 22 D HN 0.164 nan 8.370 nan 0.000 0.456 23 L N -0.029 121.091 121.223 -0.172 0.000 2.042 23 L HA -0.168 4.173 4.340 0.000 0.000 0.210 23 L C 2.557 179.108 176.870 -0.531 0.000 1.076 23 L CA 1.100 55.784 54.840 -0.259 0.000 0.749 23 L CB -0.462 41.522 42.059 -0.125 0.000 0.893 23 L HN 0.301 nan 8.230 nan 0.000 0.432 24 W N 0.646 121.410 121.300 -0.893 0.000 2.358 24 W HA -0.224 4.436 4.660 0.000 0.000 0.303 24 W C 2.145 178.383 176.519 -0.468 0.000 1.208 24 W CA 0.698 57.458 57.345 -0.975 0.000 1.274 24 W CB 0.056 29.045 29.460 -0.785 0.000 1.138 24 W HN 0.100 nan 8.180 nan 0.000 0.515 25 L N 1.292 122.326 121.223 -0.315 0.000 2.012 25 L HA -0.241 4.099 4.340 0.000 0.000 0.210 25 L C 2.671 179.354 176.870 -0.311 0.000 1.073 25 L CA 1.705 56.363 54.840 -0.303 0.000 0.748 25 L CB -1.655 40.317 42.059 -0.146 0.000 0.891 25 L HN 0.042 nan 8.230 nan 0.000 0.431 26 L N -1.115 119.950 121.223 -0.264 0.000 2.079 26 L HA -0.264 4.076 4.340 0.000 0.000 0.210 26 L C 2.699 179.440 176.870 -0.214 0.000 1.081 26 L CA 1.213 55.932 54.840 -0.201 0.000 0.752 26 L CB -0.521 41.444 42.059 -0.156 0.000 0.896 26 L HN 0.269 nan 8.230 nan 0.000 0.433 27 R N 1.576 121.862 120.500 -0.356 0.000 2.096 27 R HA -0.153 4.187 4.340 0.000 0.000 0.235 27 R C 1.975 178.129 176.300 -0.244 0.000 1.127 27 R CA 1.706 57.613 56.100 -0.321 0.000 0.968 27 R CB -0.634 29.392 30.300 -0.457 0.000 0.861 27 R HN 0.612 nan 8.270 nan 0.000 0.440 28 I N -3.021 117.256 120.570 -0.488 0.000 3.793 28 I HA 0.201 4.371 4.170 0.000 0.000 0.315 28 I C 0.367 176.358 176.117 -0.209 0.000 1.275 28 I CA 0.667 61.739 61.300 -0.380 0.000 1.214 28 I CB 0.273 37.913 38.000 -0.600 0.000 1.018 28 I HN -0.063 nan 8.210 nan 0.000 0.439 29 T N 1.191 115.657 114.554 -0.147 0.000 3.056 29 T HA 0.358 4.708 4.350 0.000 0.000 0.241 29 T C 0.931 175.660 174.700 0.047 0.000 1.006 29 T CA -0.046 62.028 62.100 -0.043 0.000 1.115 29 T CB 0.108 68.956 68.868 -0.033 0.000 0.939 29 T HN 0.095 nan 8.240 nan 0.000 0.462 30 L N 1.527 122.787 121.223 0.062 0.000 2.476 30 L HA 0.513 4.853 4.340 0.000 0.000 0.264 30 L C 0.337 177.254 176.870 0.078 0.000 1.224 30 L CA -0.250 54.662 54.840 0.121 0.000 0.821 30 L CB 0.195 42.322 42.059 0.112 0.000 1.101 30 L HN 0.077 nan 8.230 nan 0.000 0.488 31 R N 0.168 120.704 120.500 0.061 0.000 2.710 31 R HA 0.305 4.645 4.340 0.000 0.000 0.270 31 R C -2.160 174.157 176.300 0.028 0.000 1.021 31 R CA -1.115 54.984 56.100 -0.002 0.000 0.889 31 R CB 1.609 31.863 30.300 -0.077 0.000 1.243 31 R HN 0.088 nan 8.270 nan 0.000 0.464 32 P HA -0.151 nan 4.420 nan 0.000 0.217 32 P C 0.797 178.105 177.300 0.013 0.000 1.162 32 P CA 2.119 65.240 63.100 0.034 0.000 0.901 32 P CB 0.086 31.800 31.700 0.024 0.000 0.793 33 G N -1.042 107.749 108.800 -0.015 0.000 2.498 33 G HA2 -0.139 3.821 3.960 0.000 0.000 0.219 33 G HA3 -0.139 3.821 3.960 0.000 0.000 0.219 33 G C 0.285 175.170 174.900 -0.024 0.000 1.119 33 G CA 0.210 45.294 45.100 -0.026 0.000 0.766 33 G HN 0.230 nan 8.290 nan 0.000 0.552 34 D N -0.057 120.335 120.400 -0.013 0.000 2.423 34 D HA 0.258 4.898 4.640 0.000 0.000 0.238 34 D C 0.061 176.385 176.300 0.041 0.000 1.142 34 D CA 0.202 54.208 54.000 0.011 0.000 0.884 34 D CB 1.957 42.800 40.800 0.073 0.000 1.199 34 D HN -0.083 nan 8.370 nan 0.000 0.438 35 V N 2.032 121.978 119.914 0.054 0.000 2.417 35 V HA 0.340 4.460 4.120 0.000 0.000 0.291 35 V C 0.259 176.402 176.094 0.083 0.000 1.024 35 V CA -0.866 61.467 62.300 0.056 0.000 0.861 35 V CB 1.627 33.472 31.823 0.037 0.000 0.985 35 V HN 0.408 nan 8.190 nan 0.000 0.436 36 V N 3.010 122.969 119.914 0.075 0.000 2.667 36 V HA 0.708 4.828 4.120 0.000 0.000 0.308 36 V C -0.303 175.827 176.094 0.061 0.000 1.048 36 V CA -0.947 61.401 62.300 0.080 0.000 0.928 36 V CB 1.761 33.632 31.823 0.081 0.000 1.004 36 V HN 0.869 nan 8.190 nan 0.000 0.444 37 R N 2.803 123.340 120.500 0.062 0.000 2.247 37 R HA 0.698 5.038 4.340 0.000 0.000 0.329 37 R C -0.159 176.176 176.300 0.059 0.000 1.014 37 R CA 0.066 56.195 56.100 0.048 0.000 0.907 37 R CB 0.854 31.181 30.300 0.045 0.000 1.146 37 R HN 1.066 nan 8.270 nan 0.000 0.499 38 K N 2.444 122.873 120.400 0.047 0.000 2.238 38 K HA 0.438 4.758 4.320 0.000 0.000 0.239 38 K C -0.627 176.000 176.600 0.045 0.000 0.987 38 K CA -0.795 55.529 56.287 0.062 0.000 0.857 38 K CB 1.373 33.915 32.500 0.071 0.000 1.154 38 K HN 0.607 nan 8.250 nan 0.000 0.439 39 R N 2.212 122.751 120.500 0.065 0.000 2.402 39 R HA 0.260 4.600 4.340 0.000 0.000 0.290 39 R C -0.431 175.905 176.300 0.059 0.000 1.321 39 R CA 0.019 56.150 56.100 0.052 0.000 1.283 39 R CB 0.032 30.371 30.300 0.065 0.000 1.111 39 R HN 0.978 nan 8.270 nan 0.000 0.578 40 T N -0.958 113.627 114.554 0.052 0.000 2.898 40 T HA 0.528 4.878 4.350 0.000 0.000 0.283 40 T C 0.410 175.150 174.700 0.066 0.000 1.059 40 T CA -0.613 61.542 62.100 0.091 0.000 0.958 40 T CB 1.312 70.309 68.868 0.214 0.000 1.594 40 T HN 0.404 nan 8.240 nan 0.000 0.598 41 S N -0.963 114.794 115.700 0.095 0.000 2.634 41 S HA 0.797 5.267 4.470 0.000 0.000 0.296 41 S C -0.819 173.840 174.600 0.100 0.000 1.104 41 S CA -1.058 57.174 58.200 0.053 0.000 0.920 41 S CB 2.232 65.448 63.200 0.025 0.000 1.111 41 S HN 1.062 nan 8.310 nan 0.000 0.493 42 R N -0.046 120.469 120.500 0.025 0.000 2.739 42 R HA 0.432 4.772 4.340 0.000 0.000 0.271 42 R C -2.064 174.204 176.300 -0.053 0.000 1.010 42 R CA -0.523 55.599 56.100 0.036 0.000 0.897 42 R CB 1.466 31.805 30.300 0.065 0.000 1.236 42 R HN 0.694 nan 8.270 nan 0.000 0.466 43 D N 1.885 122.263 120.400 -0.037 0.000 2.316 43 D HA 0.224 4.864 4.640 0.000 0.000 0.245 43 D C -1.072 175.178 176.300 -0.084 0.000 1.171 43 D CA 0.113 54.076 54.000 -0.061 0.000 0.856 43 D CB 1.780 42.560 40.800 -0.033 0.000 1.090 43 D HN 0.181 nan 8.370 nan 0.000 0.476 44 V N 4.943 124.772 119.914 -0.141 0.000 2.495 44 V HA 0.312 4.432 4.120 0.000 0.000 0.298 44 V C -2.007 174.042 176.094 -0.075 0.000 1.031 44 V CA -2.325 59.883 62.300 -0.153 0.000 0.871 44 V CB 2.354 33.929 31.823 -0.413 0.000 0.988 44 V HN 0.290 nan 8.190 nan 0.000 0.432 45 P HA -0.060 nan 4.420 nan 0.000 0.234 45 P C 0.283 177.598 177.300 0.025 0.000 1.162 45 P CA 0.808 63.914 63.100 0.011 0.000 0.759 45 P CB -0.249 31.468 31.700 0.028 0.000 0.813 46 V N -0.117 119.818 119.914 0.035 0.000 2.450 46 V HA 0.346 4.467 4.120 0.000 0.000 0.281 46 V C 1.094 177.205 176.094 0.030 0.000 1.019 46 V CA 1.154 63.487 62.300 0.054 0.000 1.062 46 V CB 0.325 32.207 31.823 0.098 0.000 0.979 46 V HN 0.270 nan 8.190 nan 0.000 0.477 47 G N 4.475 113.292 108.800 0.028 0.000 2.482 47 G HA2 0.076 4.036 3.960 0.000 0.000 0.184 47 G HA3 0.076 4.036 3.960 0.000 0.000 0.184 47 G C 0.544 175.458 174.900 0.023 0.000 1.331 47 G CA 0.517 45.636 45.100 0.032 0.000 0.668 47 G HN 0.972 nan 8.290 nan 0.000 0.631 48 S N 0.839 116.550 115.700 0.018 0.000 4.120 48 S HA 0.486 4.956 4.470 0.000 0.000 0.196 48 S C 1.188 175.795 174.600 0.011 0.000 1.447 48 S CA 0.517 58.725 58.200 0.015 0.000 0.939 48 S CB 0.048 63.256 63.200 0.013 0.000 1.496 48 S HN 1.853 nan 8.310 nan 0.000 0.460 49 G N 1.424 110.231 108.800 0.011 0.000 2.176 49 G HA2 -0.205 3.755 3.960 0.000 0.000 0.232 49 G HA3 -0.205 3.755 3.960 0.000 0.000 0.232 49 G C 0.152 175.055 174.900 0.006 0.000 0.986 49 G CA -0.540 44.565 45.100 0.008 0.000 0.643 49 G HN 0.618 nan 8.290 nan 0.000 0.522 50 R N -0.011 120.493 120.500 0.006 0.000 2.782 50 R HA 0.754 5.094 4.340 0.000 0.000 0.258 50 R C -0.285 176.015 176.300 -0.001 0.000 1.055 50 R CA -0.710 55.391 56.100 0.003 0.000 1.065 50 R CB 1.145 31.447 30.300 0.003 0.000 1.172 50 R HN 0.170 nan 8.270 nan 0.000 0.510 51 K N 1.373 121.768 120.400 -0.008 0.000 2.435 51 K HA 0.412 4.732 4.320 0.000 0.000 0.251 51 K C -0.781 175.803 176.600 -0.027 0.000 0.954 51 K CA -0.758 55.518 56.287 -0.019 0.000 0.820 51 K CB 2.572 35.059 32.500 -0.021 0.000 1.292 51 K HN 0.536 nan 8.250 nan 0.000 0.436 52 E N 1.184 121.355 120.200 -0.048 0.000 2.238 52 E HA 0.248 4.598 4.350 0.000 0.000 0.267 52 E C -0.939 175.614 176.600 -0.078 0.000 0.887 52 E CA -1.009 55.360 56.400 -0.052 0.000 0.769 52 E CB 2.595 32.267 29.700 -0.046 0.000 1.187 52 E HN 0.301 nan 8.360 nan 0.000 0.416 53 R N 2.251 122.717 120.500 -0.057 0.000 2.248 53 R HA 0.227 4.567 4.340 0.000 0.000 0.337 53 R C -1.404 174.852 176.300 -0.072 0.000 1.085 53 R CA -0.087 55.979 56.100 -0.057 0.000 0.934 53 R CB 0.289 30.572 30.300 -0.030 0.000 1.034 53 R HN 0.202 nan 8.270 nan 0.000 0.465 54 V N 6.697 126.538 119.914 -0.121 0.000 2.417 54 V HA 0.289 4.409 4.120 0.000 0.000 0.291 54 V C -0.589 175.450 176.094 -0.091 0.000 1.024 54 V CA -0.804 61.408 62.300 -0.146 0.000 0.861 54 V CB 1.882 33.502 31.823 -0.339 0.000 0.985 54 V HN 0.657 nan 8.190 nan 0.000 0.436 55 V N 9.108 129.002 119.914 -0.033 0.000 2.555 55 V HA 0.615 4.735 4.120 0.000 0.000 0.286 55 V C -0.127 175.979 176.094 0.020 0.000 1.044 55 V CA 0.173 62.474 62.300 0.002 0.000 1.026 55 V CB 0.909 32.743 31.823 0.019 0.000 0.981 55 V HN 0.948 nan 8.190 nan 0.000 0.480 56 M N 4.626 124.239 119.600 0.023 0.000 2.682 56 M HA 0.543 5.023 4.480 0.000 0.000 0.272 56 M C -0.977 175.335 176.300 0.021 0.000 1.232 56 M CA -0.633 54.696 55.300 0.048 0.000 0.849 56 M CB 1.998 34.648 32.600 0.084 0.000 1.695 56 M HN 0.351 nan 8.290 nan 0.000 0.481 57 T N 3.529 118.099 114.554 0.027 0.000 2.837 57 T HA 0.795 5.145 4.350 0.000 0.000 0.285 57 T C -0.305 174.388 174.700 -0.012 0.000 0.984 57 T CA -0.643 61.461 62.100 0.008 0.000 1.049 57 T CB 0.812 69.688 68.868 0.014 0.000 0.947 57 T HN 0.617 nan 8.240 nan 0.000 0.472 58 L N 0.658 121.856 121.223 -0.041 0.000 2.403 58 L HA 0.770 5.110 4.340 0.000 0.000 0.253 58 L C -0.745 176.108 176.870 -0.029 0.000 1.045 58 L CA -1.620 53.190 54.840 -0.050 0.000 0.845 58 L CB 2.065 44.058 42.059 -0.111 0.000 1.447 58 L HN 0.325 nan 8.230 nan 0.000 0.411 59 R N 1.078 121.569 120.500 -0.014 0.000 2.387 59 R HA 0.774 5.114 4.340 0.000 0.000 0.314 59 R C -1.324 174.983 176.300 0.011 0.000 0.958 59 R CA -0.477 55.628 56.100 0.008 0.000 0.846 59 R CB 2.144 32.452 30.300 0.014 0.000 1.147 59 R HN 0.526 nan 8.270 nan 0.000 0.447 60 I N 1.892 122.479 120.570 0.028 0.000 2.465 60 I HA 0.351 4.521 4.170 0.000 0.000 0.291 60 I C 0.062 176.206 176.117 0.045 0.000 1.014 60 I CA -0.780 60.544 61.300 0.040 0.000 1.093 60 I CB 2.118 40.156 38.000 0.063 0.000 1.267 60 I HN 0.327 nan 8.210 nan 0.000 0.431 61 R N 5.396 125.920 120.500 0.040 0.000 2.248 61 R HA 0.327 4.667 4.340 0.000 0.000 0.328 61 R C -0.997 175.328 176.300 0.042 0.000 1.067 61 R CA -0.822 55.299 56.100 0.035 0.000 0.924 61 R CB 0.480 30.794 30.300 0.024 0.000 1.013 61 R HN 0.411 nan 8.270 nan 0.000 0.454 62 L N 4.937 126.187 121.223 0.045 0.000 2.534 62 L HA -0.031 4.309 4.340 0.000 0.000 0.271 62 L C 0.882 177.779 176.870 0.045 0.000 1.178 62 L CA 0.912 55.782 54.840 0.051 0.000 0.907 62 L CB 0.751 42.846 42.059 0.060 0.000 1.164 62 L HN 0.711 nan 8.230 nan 0.000 0.482 63 D N 0.088 120.515 120.400 0.045 0.000 2.490 63 D HA 0.063 4.703 4.640 0.000 0.000 0.244 63 D C 0.309 176.635 176.300 0.043 0.000 0.979 63 D CA 0.609 54.633 54.000 0.040 0.000 0.924 63 D CB 0.687 41.507 40.800 0.034 0.000 1.075 63 D HN 0.429 nan 8.370 nan 0.000 0.488 64 S N -0.037 115.686 115.700 0.039 0.000 2.557 64 S HA 0.634 5.104 4.470 0.000 0.000 0.291 64 S C -1.420 173.190 174.600 0.016 0.000 1.116 64 S CA -0.709 57.505 58.200 0.024 0.000 0.992 64 S CB 0.595 63.804 63.200 0.014 0.000 1.028 64 S HN 0.024 nan 8.310 nan 0.000 0.484 65 I N 4.249 124.803 120.570 -0.026 0.000 2.517 65 I HA 0.478 4.648 4.170 0.000 0.000 0.280 65 I C -0.811 175.222 176.117 -0.141 0.000 1.061 65 I CA -0.571 60.694 61.300 -0.059 0.000 1.091 65 I CB 1.544 39.525 38.000 -0.033 0.000 1.205 65 I HN 0.527 nan 8.210 nan 0.000 0.459 66 E N 5.024 125.203 120.200 -0.036 0.000 2.266 66 E HA 0.554 4.904 4.350 0.000 0.000 0.268 66 E C -1.676 175.006 176.600 0.137 0.000 0.879 66 E CA -0.686 55.717 56.400 0.005 0.000 0.762 66 E CB 3.452 33.153 29.700 0.002 0.000 1.199 66 E HN 0.384 nan 8.360 nan 0.000 0.422 67 F N 2.015 121.949 119.950 -0.027 0.000 2.539 67 F HA 0.278 4.805 4.527 0.000 0.000 0.318 67 F C -0.915 174.906 175.800 0.035 0.000 1.135 67 F CA -0.593 57.419 58.000 0.020 0.000 0.915 67 F CB 1.440 40.492 39.000 0.087 0.000 1.176 67 F HN 0.105 nan 8.300 nan 0.000 0.440 68 Q N 7.449 126.864 119.800 -0.641 0.000 2.348 68 Q HA 0.374 4.714 4.340 0.000 0.000 0.265 68 Q C -2.576 172.816 176.000 -1.013 0.000 0.998 68 Q CA -2.153 53.286 55.803 -0.606 0.000 0.831 68 Q CB 2.072 30.652 28.738 -0.263 0.000 1.251 68 Q HN 0.357 nan 8.270 nan 0.000 0.456 69 P HA 0.037 nan 4.420 nan 0.000 0.268 69 P C -0.687 176.279 177.300 -0.558 0.000 1.205 69 P CA -0.013 62.527 63.100 -0.933 0.000 0.771 69 P CB 0.163 31.295 31.700 -0.946 0.000 0.858 70 F N -0.080 119.857 119.950 -0.022 0.000 2.999 70 F HA -0.203 4.324 4.527 0.000 0.000 0.291 70 F C 1.041 176.848 175.800 0.012 0.000 0.824 70 F CA 1.214 59.244 58.000 0.050 0.000 1.255 70 F CB -3.098 35.943 39.000 0.069 0.000 1.333 70 F HN 0.419 nan 8.300 nan 0.000 0.502 71 T N -4.288 110.291 114.554 0.043 0.000 2.969 71 T HA 0.490 4.840 4.350 0.000 0.000 0.258 71 T C 1.566 176.291 174.700 0.042 0.000 0.962 71 T CA 0.730 62.846 62.100 0.026 0.000 0.903 71 T CB 0.796 69.638 68.868 -0.043 0.000 1.177 71 T HN 1.630 nan 8.240 nan 0.000 0.511 72 G N 1.508 110.348 108.800 0.066 0.000 2.283 72 G HA2 -0.218 3.742 3.960 0.000 0.000 0.280 72 G HA3 -0.218 3.742 3.960 0.000 0.000 0.280 72 G C -0.248 174.706 174.900 0.089 0.000 1.029 72 G CA 0.407 45.565 45.100 0.096 0.000 0.840 72 G HN 0.729 nan 8.290 nan 0.000 0.505 73 K N -0.440 120.020 120.400 0.100 0.000 2.507 73 K HA 0.613 4.933 4.320 0.000 0.000 0.251 73 K C -0.463 176.242 176.600 0.175 0.000 0.943 73 K CA -0.725 55.618 56.287 0.094 0.000 0.794 73 K CB 1.525 34.051 32.500 0.043 0.000 1.188 73 K HN 0.114 nan 8.250 nan 0.000 0.428 74 L N 4.611 125.931 121.223 0.161 0.000 2.262 74 L HA 0.482 4.822 4.340 0.000 0.000 0.288 74 L C -0.685 176.243 176.870 0.095 0.000 1.035 74 L CA -0.531 54.417 54.840 0.180 0.000 0.820 74 L CB 0.646 42.760 42.059 0.092 0.000 1.204 74 L HN 0.583 nan 8.230 nan 0.000 0.424 75 R N 6.261 126.811 120.500 0.084 0.000 2.267 75 R HA 0.427 4.768 4.340 0.000 0.000 0.319 75 R C -0.227 176.095 176.300 0.036 0.000 1.067 75 R CA -0.212 55.914 56.100 0.043 0.000 0.936 75 R CB 0.803 31.118 30.300 0.025 0.000 1.006 75 R HN 0.623 nan 8.270 nan 0.000 0.452 76 I N -1.545 119.047 120.570 0.036 0.000 2.530 76 I HA 0.615 4.785 4.170 0.000 0.000 0.297 76 I C -0.476 175.665 176.117 0.039 0.000 1.011 76 I CA -0.608 60.716 61.300 0.040 0.000 1.107 76 I CB 2.325 40.358 38.000 0.055 0.000 1.285 76 I HN 0.346 nan 8.210 nan 0.000 0.436 77 S N 2.736 118.459 115.700 0.039 0.000 2.569 77 S HA 0.991 5.461 4.470 0.000 0.000 0.280 77 S C -0.468 174.165 174.600 0.055 0.000 1.111 77 S CA 0.092 58.317 58.200 0.042 0.000 0.887 77 S CB 1.878 65.088 63.200 0.018 0.000 1.095 77 S HN 1.307 nan 8.310 nan 0.000 0.476 78 G N 1.633 110.475 108.800 0.070 0.000 2.428 78 G HA2 0.470 4.430 3.960 0.000 0.000 0.305 78 G HA3 0.470 4.430 3.960 0.000 0.000 0.305 78 G C -2.041 172.902 174.900 0.073 0.000 1.260 78 G CA -0.661 44.477 45.100 0.063 0.000 0.853 78 G HN 0.731 nan 8.290 nan 0.000 0.480 79 I N 0.915 121.520 120.570 0.058 0.000 2.354 79 I HA 0.360 4.530 4.170 0.000 0.000 0.292 79 I C 0.325 176.472 176.117 0.050 0.000 0.989 79 I CA -0.850 60.483 61.300 0.055 0.000 1.188 79 I CB 1.994 40.017 38.000 0.039 0.000 1.342 79 I HN 0.179 nan 8.210 nan 0.000 0.457 80 V N 7.520 127.466 119.914 0.054 0.000 2.458 80 V HA -0.048 4.072 4.120 0.000 0.000 0.287 80 V C 1.005 177.113 176.094 0.023 0.000 1.009 80 V CA 0.387 62.706 62.300 0.030 0.000 1.091 80 V CB 0.952 32.788 31.823 0.022 0.000 0.960 80 V HN 0.647 nan 8.190 nan 0.000 0.476 81 V N 4.062 123.987 119.914 0.017 0.000 2.992 81 V HA 0.161 4.281 4.120 0.000 0.000 0.250 81 V C 0.775 176.875 176.094 0.010 0.000 1.090 81 V CA 1.202 63.510 62.300 0.014 0.000 1.101 81 V CB 0.249 32.081 31.823 0.015 0.000 0.743 81 V HN 1.006 nan 8.190 nan 0.000 0.468 82 E N -1.404 118.800 120.200 0.007 0.000 2.354 82 E HA 0.522 4.872 4.350 0.000 0.000 0.283 82 E C -0.665 175.937 176.600 0.002 0.000 0.938 82 E CA -0.013 56.389 56.400 0.004 0.000 0.777 82 E CB 1.808 31.510 29.700 0.003 0.000 1.222 82 E HN 0.180 nan 8.360 nan 0.000 0.423 83 G N 2.521 111.326 108.800 0.009 0.000 2.798 83 G HA2 0.625 4.585 3.960 0.000 0.000 0.286 83 G HA3 0.625 4.585 3.960 0.000 0.000 0.286 83 G C -2.690 172.222 174.900 0.019 0.000 1.389 83 G CA -1.243 43.870 45.100 0.022 0.000 0.894 83 G HN 0.435 nan 8.290 nan 0.000 0.488 84 P HA 0.170 nan 4.420 nan 0.000 0.267 84 P C -0.231 177.000 177.300 -0.115 0.000 1.209 84 P CA -0.052 63.032 63.100 -0.027 0.000 0.763 84 P CB 1.659 33.376 31.700 0.028 0.000 0.816 85 D N 2.403 122.722 120.400 -0.136 0.000 2.182 85 D HA -0.171 4.469 4.640 0.000 0.000 0.201 85 D C 1.591 177.773 176.300 -0.196 0.000 0.986 85 D CA 1.192 55.118 54.000 -0.123 0.000 0.847 85 D CB 0.034 40.779 40.800 -0.091 0.000 0.942 85 D HN 0.529 nan 8.370 nan 0.000 0.467 86 E N -0.599 119.369 120.200 -0.387 0.000 2.136 86 E HA -0.228 4.122 4.350 0.000 0.000 0.202 86 E C 1.266 177.651 176.600 -0.359 0.000 1.019 86 E CA 0.954 57.045 56.400 -0.515 0.000 0.819 86 E CB -0.456 28.677 29.700 -0.945 0.000 0.739 86 E HN 0.385 nan 8.360 nan 0.000 0.458 87 F N -0.005 119.946 119.950 0.000 0.000 2.693 87 F HA 0.357 4.884 4.527 0.000 0.000 0.303 87 F C 1.502 177.305 175.800 0.005 0.000 1.097 87 F CA -0.139 57.863 58.000 0.003 0.000 1.330 87 F CB 0.104 39.106 39.000 0.003 0.000 1.067 87 F HN 0.026 nan 8.300 nan 0.000 0.565 88 G N 0.904 109.770 108.800 0.111 0.000 2.422 88 G HA2 -0.287 3.673 3.960 0.000 0.000 0.301 88 G HA3 -0.287 3.673 3.960 0.000 0.000 0.301 88 G C 1.046 175.997 174.900 0.085 0.000 0.981 88 G CA 0.705 45.849 45.100 0.075 0.000 0.994 88 G HN 0.303 nan 8.290 nan 0.000 0.514 89 V N -0.406 119.568 119.914 0.101 0.000 2.951 89 V HA 0.065 4.185 4.120 0.000 0.000 0.255 89 V C 1.836 177.963 176.094 0.055 0.000 1.088 89 V CA 1.602 63.953 62.300 0.084 0.000 1.109 89 V CB -0.158 31.719 31.823 0.090 0.000 0.724 89 V HN 0.638 nan 8.190 nan 0.000 0.471 90 K N 0.363 120.788 120.400 0.043 0.000 2.485 90 K HA 0.246 4.566 4.320 0.000 0.000 0.277 90 K C 1.295 177.914 176.600 0.032 0.000 0.990 90 K CA 1.063 57.368 56.287 0.030 0.000 0.994 90 K CB 0.271 32.784 32.500 0.021 0.000 0.906 90 K HN 0.331 nan 8.250 nan 0.000 0.488 91 G N 3.070 111.889 108.800 0.030 0.000 2.336 91 G HA2 -0.228 3.732 3.960 0.000 0.000 0.233 91 G HA3 -0.228 3.732 3.960 0.000 0.000 0.233 91 G C -0.160 174.762 174.900 0.037 0.000 1.053 91 G CA -0.170 44.948 45.100 0.030 0.000 0.625 91 G HN 0.583 nan 8.290 nan 0.000 0.511 92 R N 1.026 121.553 120.500 0.046 0.000 2.641 92 R HA 0.471 4.811 4.340 0.000 0.000 0.269 92 R C 0.814 177.157 176.300 0.071 0.000 1.074 92 R CA -0.304 55.830 56.100 0.056 0.000 1.133 92 R CB 0.409 30.749 30.300 0.067 0.000 1.029 92 R HN 0.671 nan 8.270 nan 0.000 0.488 93 R N 1.362 121.902 120.500 0.066 0.000 2.490 93 R HA 0.097 4.437 4.340 0.000 0.000 0.280 93 R C -0.644 175.730 176.300 0.124 0.000 1.077 93 R CA 0.118 56.264 56.100 0.075 0.000 1.065 93 R CB 0.614 30.939 30.300 0.042 0.000 1.003 93 R HN 0.630 nan 8.270 nan 0.000 0.470 94 H N 2.280 121.361 119.070 0.019 0.000 2.840 94 H HA 0.343 4.899 4.556 0.000 0.000 0.340 94 H C -1.432 173.907 175.328 0.018 0.000 1.004 94 H CA -0.589 55.469 56.048 0.018 0.000 1.288 94 H CB 1.641 31.416 29.762 0.022 0.000 1.607 94 H HN 0.778 nan 8.280 nan 0.000 0.522 95 S N 3.258 118.785 115.700 -0.289 0.000 2.503 95 S HA 0.584 5.054 4.470 0.000 0.000 0.301 95 S C -0.140 174.309 174.600 -0.251 0.000 1.087 95 S CA -0.569 57.530 58.200 -0.169 0.000 1.042 95 S CB 2.504 65.642 63.200 -0.102 0.000 1.043 95 S HN 0.774 nan 8.310 nan 0.000 0.489 96 T N 0.170 114.673 114.554 -0.084 0.000 2.661 96 T HA 0.657 5.007 4.350 0.000 0.000 0.303 96 T C -2.096 172.613 174.700 0.014 0.000 1.658 96 T CA -0.186 61.891 62.100 -0.039 0.000 0.974 96 T CB 0.704 69.595 68.868 0.038 0.000 1.857 96 T HN 0.952 nan 8.240 nan 0.000 0.475 97 A N 1.219 124.058 122.820 0.031 0.000 2.374 97 A HA 0.731 5.051 4.320 0.000 0.000 0.305 97 A C -0.842 176.769 177.584 0.045 0.000 1.053 97 A CA -0.492 51.568 52.037 0.038 0.000 0.726 97 A CB 1.514 20.532 19.000 0.031 0.000 1.229 97 A HN 0.759 nan 8.150 nan 0.000 0.431 98 V N 2.925 122.865 119.914 0.044 0.000 2.470 98 V HA 0.338 4.458 4.120 0.000 0.000 0.276 98 V C 0.540 176.650 176.094 0.026 0.000 1.040 98 V CA 0.121 62.439 62.300 0.030 0.000 1.008 98 V CB 0.520 32.353 31.823 0.017 0.000 0.990 98 V HN 0.922 nan 8.190 nan 0.000 0.477 99 S N 5.104 120.812 115.700 0.014 0.000 2.745 99 S HA 0.617 5.087 4.470 0.000 0.000 0.292 99 S C -0.018 174.572 174.600 -0.017 0.000 1.133 99 S CA -0.793 57.414 58.200 0.012 0.000 0.998 99 S CB 1.253 64.461 63.200 0.013 0.000 1.087 99 S HN 0.490 nan 8.310 nan 0.000 0.551 100 I N 1.798 122.360 120.570 -0.012 0.000 2.752 100 I HA 0.146 4.316 4.170 0.000 0.000 0.289 100 I C 1.570 177.642 176.117 -0.075 0.000 1.197 100 I CA 1.110 62.385 61.300 -0.041 0.000 1.432 100 I CB -1.260 36.730 38.000 -0.016 0.000 1.359 100 I HN 1.093 nan 8.210 nan 0.000 0.571 101 G N 4.388 113.103 108.800 -0.142 0.000 2.159 101 G HA2 -0.234 3.726 3.960 0.000 0.000 0.256 101 G HA3 -0.234 3.726 3.960 0.000 0.000 0.256 101 G C 0.381 175.132 174.900 -0.249 0.000 0.977 101 G CA 0.181 45.156 45.100 -0.207 0.000 0.652 101 G HN 0.632 nan 8.290 nan 0.000 0.531 102 T N 0.478 114.920 114.554 -0.187 0.000 2.832 102 T HA 0.406 4.756 4.350 0.000 0.000 0.296 102 T C 0.198 174.787 174.700 -0.184 0.000 0.968 102 T CA -0.031 62.001 62.100 -0.114 0.000 1.107 102 T CB 0.827 69.677 68.868 -0.029 0.000 0.916 102 T HN 0.292 nan 8.240 nan 0.000 0.517 103 W N 4.111 125.410 121.300 -0.001 0.000 2.272 103 W HA 0.494 5.154 4.660 0.000 0.000 0.318 103 W C -0.501 176.013 176.519 -0.008 0.000 1.255 103 W CA -0.793 56.547 57.345 -0.009 0.000 1.200 103 W CB 0.613 30.069 29.460 -0.007 0.000 1.170 103 W HN 0.420 nan 8.180 nan 0.000 0.549 104 L N 2.232 123.618 121.223 0.271 0.000 2.549 104 L HA 0.706 5.046 4.340 0.000 0.000 0.259 104 L C -1.439 175.513 176.870 0.137 0.000 0.934 104 L CA -1.577 53.358 54.840 0.158 0.000 0.865 104 L CB 0.716 42.823 42.059 0.079 0.000 1.352 104 L HN 0.099 nan 8.230 nan 0.000 0.410 105 V N 2.873 122.851 119.914 0.108 0.000 2.384 105 V HA 0.791 4.911 4.120 0.000 0.000 0.287 105 V C -0.250 175.899 176.094 0.093 0.000 1.020 105 V CA -0.572 61.779 62.300 0.085 0.000 0.850 105 V CB 1.697 33.561 31.823 0.069 0.000 0.987 105 V HN 0.801 nan 8.190 nan 0.000 0.436 106 V N 4.862 124.843 119.914 0.112 0.000 2.555 106 V HA 0.652 4.772 4.120 0.000 0.000 0.302 106 V C -0.419 175.878 176.094 0.338 0.000 1.038 106 V CA -0.300 62.121 62.300 0.201 0.000 0.887 106 V CB 1.848 33.808 31.823 0.228 0.000 0.991 106 V HN 1.024 nan 8.190 nan 0.000 0.434 107 E N 6.311 126.668 120.200 0.263 0.000 2.155 107 E HA 0.422 4.772 4.350 0.000 0.000 0.264 107 E C -0.707 175.927 176.600 0.057 0.000 0.886 107 E CA -0.816 55.711 56.400 0.212 0.000 0.752 107 E CB 1.197 30.958 29.700 0.102 0.000 1.133 107 E HN 0.770 nan 8.360 nan 0.000 0.414 108 R N 4.518 124.912 120.500 -0.177 0.000 2.215 108 R HA 0.081 4.421 4.340 0.000 0.000 0.337 108 R C 0.390 176.456 176.300 -0.390 0.000 1.010 108 R CA -0.318 55.458 56.100 -0.540 0.000 0.871 108 R CB 0.634 30.062 30.300 -1.453 0.000 1.134 108 R HN 0.649 nan 8.270 nan 0.000 0.477 109 D N 3.996 124.259 120.400 -0.229 0.000 2.154 109 D HA -0.253 4.387 4.640 0.000 0.000 0.190 109 D C 1.648 177.846 176.300 -0.170 0.000 1.003 109 D CA 2.700 56.607 54.000 -0.155 0.000 0.849 109 D CB 0.347 41.080 40.800 -0.110 0.000 0.942 109 D HN 0.660 nan 8.370 nan 0.000 0.446 110 K N -0.110 120.166 120.400 -0.208 0.000 2.555 110 K HA 0.327 4.647 4.320 0.000 0.000 0.193 110 K C 1.040 177.524 176.600 -0.194 0.000 1.032 110 K CA 1.080 57.261 56.287 -0.176 0.000 1.004 110 K CB -0.989 31.410 32.500 -0.167 0.000 0.804 110 K HN 0.661 nan 8.250 nan 0.000 0.496 111 G N -1.018 107.614 108.800 -0.280 0.000 2.777 111 G HA2 -0.104 3.856 3.960 0.000 0.000 0.686 111 G HA3 -0.104 3.856 3.960 0.000 0.000 0.686 111 G C -0.539 174.199 174.900 -0.269 0.000 1.177 111 G CA -0.509 44.455 45.100 -0.227 0.000 0.775 111 G HN 0.559 nan 8.290 nan 0.000 0.613 112 W N 2.686 123.976 121.300 -0.017 0.000 2.419 112 W HA 0.506 5.166 4.660 0.000 0.000 0.312 112 W C 1.381 177.889 176.519 -0.019 0.000 1.323 112 W CA 0.178 57.510 57.345 -0.020 0.000 1.293 112 W CB 1.077 30.525 29.460 -0.020 0.000 1.324 112 W HN 0.951 nan 8.180 nan 0.000 0.512 113 S N 1.869 117.689 115.700 0.199 0.000 2.596 113 S HA 0.042 4.512 4.470 0.000 0.000 0.260 113 S C 1.123 175.795 174.600 0.121 0.000 1.336 113 S CA -0.245 58.025 58.200 0.117 0.000 0.993 113 S CB 1.221 64.462 63.200 0.069 0.000 0.923 113 S HN 0.555 nan 8.310 nan 0.000 0.567 114 E N 0.848 121.090 120.200 0.071 0.000 2.112 114 E HA -0.080 4.270 4.350 0.000 0.000 0.190 114 E C 2.231 178.854 176.600 0.040 0.000 0.979 114 E CA 1.105 57.535 56.400 0.050 0.000 0.814 114 E CB -0.494 29.227 29.700 0.034 0.000 0.762 114 E HN 0.768 nan 8.360 nan 0.000 0.460 115 Q N 0.513 120.337 119.800 0.040 0.000 2.135 115 Q HA -0.179 4.162 4.340 0.000 0.000 0.204 115 Q C 1.999 178.020 176.000 0.036 0.000 0.981 115 Q CA 1.292 57.113 55.803 0.031 0.000 0.856 115 Q CB -0.094 28.659 28.738 0.025 0.000 0.902 115 Q HN 0.363 nan 8.270 nan 0.000 0.425 116 E N 0.590 120.833 120.200 0.071 0.000 2.028 116 E HA -0.143 4.207 4.350 0.000 0.000 0.191 116 E C 1.900 178.516 176.600 0.027 0.000 0.988 116 E CA 0.883 57.341 56.400 0.098 0.000 0.799 116 E CB -0.027 29.826 29.700 0.254 0.000 0.755 116 E HN 0.238 nan 8.360 nan 0.000 0.447 117 L N 0.561 121.792 121.223 0.013 0.000 2.362 117 L HA -0.127 4.213 4.340 0.000 0.000 0.219 117 L C 2.629 179.455 176.870 -0.074 0.000 1.134 117 L CA 1.292 56.079 54.840 -0.089 0.000 0.807 117 L CB -0.659 41.353 42.059 -0.079 0.000 0.927 117 L HN 0.210 nan 8.230 nan 0.000 0.447 118 E N 0.855 121.038 120.200 -0.029 0.000 2.021 118 E HA -0.187 4.163 4.350 0.000 0.000 0.189 118 E C 2.239 178.827 176.600 -0.020 0.000 0.980 118 E CA 0.963 57.353 56.400 -0.017 0.000 0.803 118 E CB -0.523 29.180 29.700 0.005 0.000 0.766 118 E HN 0.456 nan 8.360 nan 0.000 0.449 119 R N -0.537 119.953 120.500 -0.016 0.000 2.112 119 R HA -0.162 4.178 4.340 0.000 0.000 0.242 119 R C 2.356 178.628 176.300 -0.047 0.000 1.137 119 R CA 1.964 58.052 56.100 -0.020 0.000 0.944 119 R CB -0.627 29.660 30.300 -0.022 0.000 0.857 119 R HN 0.372 nan 8.270 nan 0.000 0.435 120 L N 0.293 121.466 121.223 -0.084 0.000 2.189 120 L HA -0.125 4.215 4.340 0.000 0.000 0.214 120 L C 1.759 178.555 176.870 -0.123 0.000 1.097 120 L CA 2.117 56.877 54.840 -0.133 0.000 0.764 120 L CB -0.463 41.469 42.059 -0.211 0.000 0.900 120 L HN 0.411 nan 8.230 nan 0.000 0.436 121 A N -2.233 120.527 122.820 -0.100 0.000 2.503 121 A HA 0.539 4.859 4.320 0.000 0.000 0.263 121 A C 1.905 179.524 177.584 0.059 0.000 1.258 121 A CA 0.420 52.393 52.037 -0.107 0.000 0.936 121 A CB -0.373 18.479 19.000 -0.247 0.000 1.070 121 A HN 0.217 nan 8.150 nan 0.000 0.522 122 A N 0.065 122.912 122.820 0.045 0.000 2.248 122 A HA 0.343 4.663 4.320 0.000 0.000 0.210 122 A C 1.362 179.002 177.584 0.093 0.000 1.174 122 A CA 0.696 52.778 52.037 0.075 0.000 0.750 122 A CB -0.762 18.265 19.000 0.045 0.000 0.780 122 A HN 0.763 nan 8.150 nan 0.000 0.478 123 G N -0.190 108.679 108.800 0.115 0.000 2.367 123 G HA2 0.480 4.440 3.960 0.000 0.000 0.280 123 G HA3 0.480 4.440 3.960 0.000 0.000 0.280 123 G C 0.016 174.977 174.900 0.102 0.000 1.175 123 G CA 0.356 45.518 45.100 0.104 0.000 1.001 123 G HN 0.838 nan 8.290 nan 0.000 0.437 124 R N 1.594 122.128 120.500 0.056 0.000 2.393 124 R HA 0.773 5.113 4.340 0.000 0.000 0.315 124 R C 0.359 176.681 176.300 0.037 0.000 0.952 124 R CA -0.203 55.908 56.100 0.019 0.000 0.842 124 R CB 1.185 31.484 30.300 -0.002 0.000 1.163 124 R HN 1.443 nan 8.270 nan 0.000 0.450 125 A N 2.733 125.572 122.820 0.032 0.000 3.076 125 A HA 0.117 4.437 4.320 0.000 0.000 0.269 125 A C 1.357 178.970 177.584 0.049 0.000 1.916 125 A CA -0.205 51.860 52.037 0.047 0.000 1.492 125 A CB -0.558 18.465 19.000 0.039 0.000 1.000 125 A HN 0.851 nan 8.150 nan 0.000 0.615 126 R N 1.122 121.654 120.500 0.054 0.000 2.200 126 R HA 0.013 4.353 4.340 0.000 0.000 0.234 126 R C 1.541 177.865 176.300 0.040 0.000 1.127 126 R CA 0.644 56.767 56.100 0.039 0.000 0.989 126 R CB -0.364 29.955 30.300 0.032 0.000 0.869 126 R HN 0.994 nan 8.270 nan 0.000 0.459 127 G N 0.067 108.906 108.800 0.065 0.000 2.601 127 G HA2 -0.312 3.648 3.960 0.000 0.000 0.252 127 G HA3 -0.312 3.648 3.960 0.000 0.000 0.252 127 G C -0.258 174.672 174.900 0.050 0.000 1.294 127 G CA 0.038 45.181 45.100 0.073 0.000 0.912 127 G HN 0.276 nan 8.290 nan 0.000 0.574 128 T N 0.213 114.800 114.554 0.055 0.000 2.949 128 T HA 0.842 5.192 4.350 0.000 0.000 0.287 128 T C 0.321 175.017 174.700 -0.006 0.000 1.034 128 T CA 0.641 62.763 62.100 0.038 0.000 1.018 128 T CB 1.656 70.569 68.868 0.075 0.000 1.135 128 T HN 2.031 nan 8.240 nan 0.000 0.532 129 A N 0.896 123.689 122.820 -0.045 0.000 2.549 129 A HA 0.780 5.100 4.320 0.000 0.000 0.297 129 A C -0.901 176.623 177.584 -0.101 0.000 1.061 129 A CA -0.792 51.211 52.037 -0.056 0.000 0.690 129 A CB 1.287 20.257 19.000 -0.050 0.000 1.287 129 A HN 0.904 nan 8.150 nan 0.000 0.402 130 V N -0.171 119.691 119.914 -0.087 0.000 2.581 130 V HA 0.848 4.968 4.120 0.000 0.000 0.303 130 V C -0.523 175.517 176.094 -0.090 0.000 1.041 130 V CA -0.729 61.503 62.300 -0.113 0.000 0.907 130 V CB 1.409 33.178 31.823 -0.091 0.000 0.994 130 V HN 0.685 nan 8.190 nan 0.000 0.442 131 I N 2.727 123.231 120.570 -0.111 0.000 2.498 131 I HA 0.875 5.045 4.170 0.000 0.000 0.290 131 I C 0.108 176.151 176.117 -0.123 0.000 1.032 131 I CA -0.613 60.629 61.300 -0.097 0.000 1.073 131 I CB 1.508 39.449 38.000 -0.099 0.000 1.251 131 I HN 0.956 nan 8.210 nan 0.000 0.426 132 A N 4.539 127.300 122.820 -0.099 0.000 2.430 132 A HA 1.015 5.335 4.320 0.000 0.000 0.300 132 A C -0.954 176.566 177.584 -0.108 0.000 1.124 132 A CA -0.664 51.284 52.037 -0.148 0.000 0.766 132 A CB 2.120 21.119 19.000 -0.001 0.000 1.328 132 A HN 0.980 nan 8.150 nan 0.000 0.424 133 A N 0.086 122.814 122.820 -0.153 0.000 2.465 133 A HA 0.651 4.971 4.320 0.000 0.000 0.292 133 A C -0.922 176.672 177.584 0.015 0.000 1.041 133 A CA 0.058 52.059 52.037 -0.060 0.000 0.718 133 A CB 1.071 20.024 19.000 -0.078 0.000 1.266 133 A HN 2.273 nan 8.150 nan 0.000 0.403 134 V N 0.585 120.550 119.914 0.086 0.000 2.623 134 V HA 0.907 5.027 4.120 0.000 0.000 0.304 134 V C -0.989 175.147 176.094 0.070 0.000 1.054 134 V CA -0.452 61.944 62.300 0.162 0.000 0.882 134 V CB 1.415 33.318 31.823 0.132 0.000 1.002 134 V HN 1.087 nan 8.190 nan 0.000 0.424 135 D N 2.644 123.108 120.400 0.105 0.000 2.781 135 D HA 0.380 5.020 4.640 0.000 0.000 0.295 135 D C 0.258 176.581 176.300 0.037 0.000 1.143 135 D CA -0.730 53.283 54.000 0.022 0.000 1.076 135 D CB 0.735 41.576 40.800 0.069 0.000 1.444 135 D HN 0.292 nan 8.370 nan 0.000 0.567 136 Y N -0.556 119.804 120.300 0.099 0.000 2.574 136 Y HA 0.064 4.614 4.550 0.000 0.000 0.294 136 Y C 0.695 176.555 175.900 -0.067 0.000 1.142 136 Y CA 1.512 59.627 58.100 0.025 0.000 1.314 136 Y CB -0.062 38.401 38.460 0.005 0.000 0.991 136 Y HN 0.488 nan 8.280 nan 0.000 0.555 137 D N -3.043 117.414 120.400 0.095 0.000 2.525 137 D HA 0.137 4.777 4.640 0.000 0.000 0.231 137 D C 0.093 176.424 176.300 0.051 0.000 1.216 137 D CA -0.060 53.956 54.000 0.027 0.000 0.813 137 D CB 0.270 41.093 40.800 0.038 0.000 1.108 137 D HN 0.121 nan 8.370 nan 0.000 0.524 138 E N -0.539 119.739 120.200 0.130 0.000 2.383 138 E HA 0.533 4.883 4.350 0.000 0.000 0.275 138 E C -1.890 174.904 176.600 0.322 0.000 0.918 138 E CA -1.012 55.492 56.400 0.173 0.000 0.764 138 E CB 2.547 32.303 29.700 0.094 0.000 1.252 138 E HN 0.056 nan 8.360 nan 0.000 0.449 139 F N 1.596 121.621 119.950 0.126 0.000 2.581 139 F HA 0.736 5.263 4.527 0.000 0.000 0.311 139 F C -1.682 174.132 175.800 0.023 0.000 1.113 139 F CA -0.280 57.765 58.000 0.074 0.000 0.935 139 F CB 1.510 40.555 39.000 0.075 0.000 1.232 139 F HN 0.542 nan 8.300 nan 0.000 0.445 140 A N 4.867 127.108 122.820 -0.964 0.000 2.556 140 A HA 0.868 5.188 4.320 0.000 0.000 0.294 140 A C -2.557 174.438 177.584 -0.983 0.000 1.091 140 A CA -0.717 50.839 52.037 -0.802 0.000 0.704 140 A CB 1.948 20.738 19.000 -0.350 0.000 1.300 140 A HN 1.113 nan 8.150 nan 0.000 0.406 141 L N 0.565 121.431 121.223 -0.594 0.000 2.516 141 L HA 0.840 5.180 4.340 0.000 0.000 0.267 141 L C -0.413 176.308 176.870 -0.247 0.000 0.957 141 L CA 0.114 54.721 54.840 -0.389 0.000 0.860 141 L CB 1.474 43.375 42.059 -0.264 0.000 1.265 141 L HN 1.490 nan 8.230 nan 0.000 0.403 142 A N 3.746 126.435 122.820 -0.217 0.000 2.384 142 A HA 0.893 5.213 4.320 0.000 0.000 0.312 142 A C -1.508 175.917 177.584 -0.266 0.000 1.113 142 A CA -0.473 51.434 52.037 -0.218 0.000 0.779 142 A CB 2.073 20.968 19.000 -0.175 0.000 1.307 142 A HN 1.035 nan 8.150 nan 0.000 0.436 143 V N 2.354 122.036 119.914 -0.387 0.000 2.555 143 V HA 0.642 4.762 4.120 0.000 0.000 0.302 143 V C -1.247 174.628 176.094 -0.365 0.000 1.038 143 V CA -0.734 61.253 62.300 -0.522 0.000 0.887 143 V CB 1.366 32.545 31.823 -1.074 0.000 0.991 143 V HN 0.771 nan 8.190 nan 0.000 0.434 144 L N 5.535 126.641 121.223 -0.194 0.000 2.346 144 L HA 0.929 5.269 4.340 0.000 0.000 0.274 144 L C 0.090 176.969 176.870 0.015 0.000 1.007 144 L CA -0.276 54.535 54.840 -0.048 0.000 0.818 144 L CB 1.605 43.616 42.059 -0.080 0.000 1.284 144 L HN 0.901 nan 8.230 nan 0.000 0.424 145 A N 1.150 123.933 122.820 -0.062 0.000 2.569 145 A HA 0.654 4.974 4.320 0.000 0.000 0.290 145 A C 0.807 178.149 177.584 -0.403 0.000 1.136 145 A CA 0.117 51.983 52.037 -0.286 0.000 0.710 145 A CB 1.147 19.781 19.000 -0.610 0.000 1.303 145 A HN 0.803 nan 8.150 nan 0.000 0.413 146 G N -0.133 108.461 108.800 -0.343 0.000 2.503 146 G HA2 -0.217 3.743 3.960 0.000 0.000 0.221 146 G HA3 -0.217 3.743 3.960 0.000 0.000 0.221 146 G C 0.855 175.515 174.900 -0.400 0.000 1.131 146 G CA 1.513 46.469 45.100 -0.240 0.000 0.756 146 G HN 1.119 nan 8.290 nan 0.000 0.572 147 H N -0.698 118.026 119.070 -0.576 0.000 2.503 147 H HA 0.494 5.050 4.556 0.000 0.000 0.296 147 H C 0.449 175.318 175.328 -0.765 0.000 1.097 147 H CA 0.057 55.413 56.048 -1.154 0.000 1.055 147 H CB -0.195 28.534 29.762 -1.721 0.000 1.580 147 H HN 0.365 nan 8.280 nan 0.000 0.546 148 G N 0.527 108.976 108.800 -0.587 0.000 2.384 148 G HA2 0.356 4.316 3.960 0.000 0.000 0.300 148 G HA3 0.356 4.316 3.960 0.000 0.000 0.300 148 G C -1.920 172.930 174.900 -0.085 0.000 1.582 148 G CA -0.925 43.954 45.100 -0.369 0.000 0.875 148 G HN 0.326 nan 8.290 nan 0.000 0.628 149 M N 1.481 121.113 119.600 0.054 0.000 2.277 149 M HA 0.697 5.177 4.480 0.000 0.000 0.282 149 M C -1.696 174.671 176.300 0.111 0.000 1.074 149 M CA -0.765 54.592 55.300 0.095 0.000 0.954 149 M CB 1.958 34.551 32.600 -0.011 0.000 1.672 149 M HN 0.425 nan 8.290 nan 0.000 0.471 150 K N 5.641 126.060 120.400 0.031 0.000 2.426 150 K HA 0.452 4.772 4.320 0.000 0.000 0.254 150 K C -1.158 175.354 176.600 -0.146 0.000 0.936 150 K CA -0.705 55.554 56.287 -0.046 0.000 0.801 150 K CB 1.397 33.866 32.500 -0.052 0.000 1.139 150 K HN 0.722 nan 8.250 nan 0.000 0.424 151 I N 5.896 126.407 120.570 -0.099 0.000 2.588 151 I HA -0.004 4.166 4.170 0.000 0.000 0.283 151 I C 1.193 177.242 176.117 -0.113 0.000 1.119 151 I CA 0.299 61.530 61.300 -0.115 0.000 1.419 151 I CB 0.691 38.640 38.000 -0.085 0.000 1.394 151 I HN 0.730 nan 8.210 nan 0.000 0.562 152 L N 3.560 124.706 121.223 -0.127 0.000 2.749 152 L HA 0.265 4.605 4.340 0.000 0.000 0.242 152 L C 0.159 176.998 176.870 -0.051 0.000 1.103 152 L CA 0.187 54.974 54.840 -0.088 0.000 0.906 152 L CB 0.456 42.455 42.059 -0.099 0.000 1.228 152 L HN 0.598 nan 8.230 nan 0.000 0.517 153 E N 0.173 120.325 120.200 -0.080 0.000 2.381 153 E HA 0.366 4.716 4.350 0.000 0.000 0.286 153 E C -1.861 174.676 176.600 -0.106 0.000 0.960 153 E CA -0.388 55.990 56.400 -0.037 0.000 0.793 153 E CB 1.753 31.481 29.700 0.046 0.000 1.225 153 E HN -0.032 nan 8.360 nan 0.000 0.420 154 D N 2.506 122.891 120.400 -0.025 0.000 2.300 154 D HA 0.374 5.014 4.640 0.000 0.000 0.218 154 D C -1.699 174.627 176.300 0.044 0.000 1.326 154 D CA -0.054 53.926 54.000 -0.034 0.000 0.942 154 D CB 1.047 41.819 40.800 -0.048 0.000 1.495 154 D HN 0.323 nan 8.370 nan 0.000 0.545 155 T N 1.390 116.007 114.554 0.105 0.000 2.894 155 T HA 0.499 4.849 4.350 0.000 0.000 0.309 155 T C -0.612 174.177 174.700 0.148 0.000 1.208 155 T CA -0.598 61.586 62.100 0.141 0.000 1.016 155 T CB 1.668 70.668 68.868 0.221 0.000 1.192 155 T HN 0.107 nan 8.240 nan 0.000 0.491 156 S N 1.358 117.116 115.700 0.096 0.000 2.537 156 S HA 0.452 4.922 4.470 0.000 0.000 0.275 156 S C 1.506 176.130 174.600 0.041 0.000 1.272 156 S CA -0.428 57.810 58.200 0.064 0.000 1.050 156 S CB 1.289 64.505 63.200 0.026 0.000 0.961 156 S HN 0.840 nan 8.310 nan 0.000 0.496 157 A N 3.454 126.246 122.820 -0.047 0.000 1.902 157 A HA -0.013 4.307 4.320 0.000 0.000 0.217 157 A C 1.059 178.499 177.584 -0.240 0.000 1.181 157 A CA 0.944 52.773 52.037 -0.347 0.000 0.623 157 A CB -0.500 18.010 19.000 -0.817 0.000 0.818 157 A HN 0.919 nan 8.150 nan 0.000 0.443 158 R N -1.731 118.687 120.500 -0.137 0.000 3.333 158 R HA -0.132 4.208 4.340 0.000 0.000 0.256 158 R C -0.731 175.509 176.300 -0.100 0.000 1.010 158 R CA 0.256 56.305 56.100 -0.085 0.000 0.680 158 R CB -1.866 28.406 30.300 -0.046 0.000 1.102 158 R HN 0.334 nan 8.270 nan 0.000 0.440 159 L N 0.090 121.235 121.223 -0.130 0.000 2.479 159 L HA 0.341 4.681 4.340 0.000 0.000 0.248 159 L C -0.674 176.164 176.870 -0.055 0.000 1.205 159 L CA -1.488 53.295 54.840 -0.094 0.000 0.817 159 L CB -0.619 41.388 42.059 -0.086 0.000 1.162 159 L HN 0.001 nan 8.230 nan 0.000 0.486 160 P HA 0.136 nan 4.420 nan 0.000 0.273 160 P C -0.254 177.021 177.300 -0.041 0.000 1.258 160 P CA -0.325 62.754 63.100 -0.034 0.000 0.802 160 P CB 0.210 31.894 31.700 -0.027 0.000 1.040 161 G N -0.480 108.296 108.800 -0.039 0.000 2.476 161 G HA2 0.211 4.171 3.960 0.000 0.000 0.286 161 G HA3 0.211 4.171 3.960 0.000 0.000 0.286 161 G C 0.829 175.695 174.900 -0.056 0.000 1.177 161 G CA -0.568 44.503 45.100 -0.049 0.000 0.870 161 G HN 0.563 nan 8.290 nan 0.000 0.528 162 K N 0.105 120.459 120.400 -0.077 0.000 2.228 162 K HA -0.226 4.094 4.320 0.000 0.000 0.205 162 K C 1.262 177.828 176.600 -0.056 0.000 1.045 162 K CA 2.032 58.268 56.287 -0.085 0.000 0.931 162 K CB -0.157 32.278 32.500 -0.108 0.000 0.727 162 K HN 0.542 nan 8.250 nan 0.000 0.458 163 D N 1.084 121.458 120.400 -0.044 0.000 2.234 163 D HA -0.130 4.510 4.640 0.000 0.000 0.205 163 D C 0.560 176.845 176.300 -0.025 0.000 0.962 163 D CA 0.356 54.337 54.000 -0.032 0.000 0.855 163 D CB -0.702 40.081 40.800 -0.027 0.000 0.951 163 D HN 0.161 nan 8.370 nan 0.000 0.500 164 D N 2.375 122.760 120.400 -0.026 0.000 2.515 164 D HA -0.003 4.637 4.640 0.000 0.000 0.232 164 D C -2.021 174.269 176.300 -0.016 0.000 1.157 164 D CA -0.469 53.519 54.000 -0.020 0.000 0.871 164 D CB 1.081 41.869 40.800 -0.020 0.000 1.200 164 D HN 0.097 nan 8.370 nan 0.000 0.466 165 P HA 0.053 nan 4.420 nan 0.000 0.279 165 P C 0.136 177.433 177.300 -0.005 0.000 1.252 165 P CA -0.009 63.087 63.100 -0.008 0.000 0.811 165 P CB 1.124 32.820 31.700 -0.007 0.000 1.035 166 S N 0.130 115.829 115.700 -0.002 0.000 3.011 166 S HA -0.274 4.196 4.470 0.000 0.000 0.278 166 S C 1.530 176.133 174.600 0.005 0.000 1.300 166 S CA 1.019 59.220 58.200 0.002 0.000 1.248 166 S CB -2.019 61.181 63.200 0.001 0.000 1.517 166 S HN 0.650 nan 8.310 nan 0.000 0.685 167 R N 1.551 122.052 120.500 0.001 0.000 2.249 167 R HA -0.029 4.311 4.340 0.000 0.000 0.230 167 R C 2.037 178.349 176.300 0.020 0.000 1.121 167 R CA 1.720 57.822 56.100 0.003 0.000 0.997 167 R CB -0.485 29.809 30.300 -0.011 0.000 0.867 167 R HN 0.873 nan 8.270 nan 0.000 0.465 168 E N 0.007 120.219 120.200 0.021 0.000 2.033 168 E HA -0.170 4.180 4.350 0.000 0.000 0.189 168 E C 1.746 178.370 176.600 0.039 0.000 0.979 168 E CA 0.559 56.980 56.400 0.034 0.000 0.802 168 E CB -0.007 29.707 29.700 0.024 0.000 0.763 168 E HN 0.335 nan 8.360 nan 0.000 0.449 169 Q N 0.498 120.314 119.800 0.026 0.000 2.226 169 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 169 Q C 1.615 177.634 176.000 0.031 0.000 0.975 169 Q CA 1.262 57.080 55.803 0.024 0.000 0.866 169 Q CB 0.116 28.862 28.738 0.014 0.000 0.915 169 Q HN 0.061 nan 8.270 nan 0.000 0.440 170 E N -0.301 119.918 120.200 0.033 0.000 2.208 170 E HA -0.112 4.238 4.350 0.000 0.000 0.193 170 E C 1.921 178.565 176.600 0.072 0.000 0.988 170 E CA 1.085 57.507 56.400 0.037 0.000 0.828 170 E CB 0.060 29.770 29.700 0.016 0.000 0.763 170 E HN 0.392 nan 8.360 nan 0.000 0.478 171 V N -1.305 118.665 119.914 0.094 0.000 2.407 171 V HA -0.127 3.993 4.120 0.000 0.000 0.245 171 V C 1.771 177.945 176.094 0.134 0.000 1.041 171 V CA 1.592 63.988 62.300 0.161 0.000 1.040 171 V CB -0.607 31.335 31.823 0.199 0.000 0.671 171 V HN 0.105 nan 8.190 nan 0.000 0.455 172 E N 1.435 121.680 120.200 0.075 0.000 2.070 172 E HA -0.254 4.096 4.350 0.000 0.000 0.197 172 E C 2.527 179.140 176.600 0.023 0.000 1.004 172 E CA 2.211 58.631 56.400 0.035 0.000 0.805 172 E CB -0.446 29.267 29.700 0.021 0.000 0.744 172 E HN 0.782 nan 8.360 nan 0.000 0.451 173 K N 1.161 121.585 120.400 0.041 0.000 2.103 173 K HA -0.214 4.106 4.320 0.000 0.000 0.207 173 K C 1.692 178.321 176.600 0.049 0.000 1.048 173 K CA 1.731 58.037 56.287 0.032 0.000 0.930 173 K CB -1.344 31.179 32.500 0.038 0.000 0.716 173 K HN 0.388 nan 8.250 nan 0.000 0.444 174 Y N 0.521 120.780 120.300 -0.068 0.000 2.163 174 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 174 Y C 2.418 178.216 175.900 -0.171 0.000 1.136 174 Y CA 1.778 59.813 58.100 -0.107 0.000 1.147 174 Y CB 0.125 38.540 38.460 -0.075 0.000 0.987 174 Y HN 0.092 nan 8.280 nan 0.000 0.509 175 V N -1.430 118.341 119.914 -0.238 0.000 2.667 175 V HA -0.141 3.979 4.120 0.000 0.000 0.252 175 V C 1.557 177.479 176.094 -0.285 0.000 1.065 175 V CA 2.145 64.228 62.300 -0.363 0.000 1.083 175 V CB -0.507 31.194 31.823 -0.203 0.000 0.692 175 V HN 0.293 nan 8.190 nan 0.000 0.468 176 D N 0.860 121.153 120.400 -0.179 0.000 2.097 176 D HA -0.158 4.482 4.640 0.000 0.000 0.195 176 D C 2.272 178.465 176.300 -0.179 0.000 0.989 176 D CA 2.041 55.957 54.000 -0.140 0.000 0.827 176 D CB -0.364 40.387 40.800 -0.082 0.000 0.966 176 D HN 0.553 nan 8.370 nan 0.000 0.456 177 R N 0.680 121.060 120.500 -0.200 0.000 2.091 177 R HA -0.126 4.214 4.340 0.000 0.000 0.238 177 R C 2.054 178.134 176.300 -0.367 0.000 1.136 177 R CA 1.616 57.587 56.100 -0.214 0.000 0.959 177 R CB -0.178 30.028 30.300 -0.157 0.000 0.856 177 R HN 0.117 nan 8.270 nan 0.000 0.437 178 A N 0.901 123.346 122.820 -0.626 0.000 1.858 178 A HA -0.092 4.228 4.320 0.000 0.000 0.216 178 A C 2.443 179.777 177.584 -0.417 0.000 1.190 178 A CA 1.705 53.182 52.037 -0.933 0.000 0.617 178 A CB -1.024 17.235 19.000 -1.234 0.000 0.827 178 A HN 0.556 nan 8.150 nan 0.000 0.443 179 A N -0.110 122.537 122.820 -0.289 0.000 1.917 179 A HA -0.259 4.061 4.320 0.000 0.000 0.219 179 A C 2.127 179.651 177.584 -0.101 0.000 1.182 179 A CA 2.439 54.386 52.037 -0.149 0.000 0.633 179 A CB -0.483 18.442 19.000 -0.124 0.000 0.819 179 A HN 0.613 nan 8.150 nan 0.000 0.448 180 K N -1.218 119.113 120.400 -0.114 0.000 2.103 180 K HA -0.101 4.219 4.320 0.000 0.000 0.204 180 K C 2.205 178.781 176.600 -0.040 0.000 1.052 180 K CA 0.857 57.102 56.287 -0.068 0.000 0.945 180 K CB -0.083 32.377 32.500 -0.068 0.000 0.722 180 K HN 0.222 nan 8.250 nan 0.000 0.443 181 R N 0.850 121.326 120.500 -0.040 0.000 2.073 181 R HA -0.075 4.265 4.340 0.000 0.000 0.234 181 R C 2.297 178.631 176.300 0.057 0.000 1.134 181 R CA 1.422 57.541 56.100 0.033 0.000 0.952 181 R CB -0.825 29.545 30.300 0.117 0.000 0.850 181 R HN 0.353 nan 8.270 nan 0.000 0.433 182 I N 0.362 120.972 120.570 0.067 0.000 2.208 182 I HA -0.253 3.917 4.170 0.000 0.000 0.245 182 I C 2.319 178.449 176.117 0.020 0.000 1.097 182 I CA 1.129 62.464 61.300 0.059 0.000 1.363 182 I CB -0.312 37.723 38.000 0.059 0.000 1.051 182 I HN -0.107 nan 8.210 nan 0.000 0.413 183 V N 0.600 120.515 119.914 0.001 0.000 2.427 183 V HA -0.248 3.872 4.120 0.000 0.000 0.248 183 V C 2.312 178.405 176.094 -0.002 0.000 1.051 183 V CA 1.795 64.092 62.300 -0.006 0.000 1.048 183 V CB -0.608 31.204 31.823 -0.018 0.000 0.666 183 V HN 0.435 nan 8.190 nan 0.000 0.456 184 E N -0.414 119.786 120.200 -0.001 0.000 2.106 184 E HA -0.189 4.161 4.350 0.000 0.000 0.192 184 E C 2.277 178.879 176.600 0.004 0.000 0.984 184 E CA 1.133 57.530 56.400 -0.004 0.000 0.806 184 E CB -0.041 29.656 29.700 -0.004 0.000 0.750 184 E HN 0.556 nan 8.360 nan 0.000 0.458 185 E N 0.356 120.575 120.200 0.031 0.000 2.122 185 E HA -0.041 4.310 4.350 0.000 0.000 0.190 185 E C 2.059 178.728 176.600 0.115 0.000 0.977 185 E CA 0.708 57.160 56.400 0.087 0.000 0.820 185 E CB -0.176 29.574 29.700 0.083 0.000 0.770 185 E HN 0.196 nan 8.360 nan 0.000 0.462 186 A N 1.829 124.679 122.820 0.050 0.000 1.917 186 A HA -0.185 4.135 4.320 0.000 0.000 0.219 186 A C 2.416 180.021 177.584 0.034 0.000 1.182 186 A CA 2.397 54.456 52.037 0.037 0.000 0.633 186 A CB -0.616 18.391 19.000 0.012 0.000 0.819 186 A HN 0.272 nan 8.150 nan 0.000 0.448 187 A N -0.796 122.030 122.820 0.010 0.000 1.872 187 A HA -0.100 4.220 4.320 0.000 0.000 0.214 187 A C 2.239 179.800 177.584 -0.038 0.000 1.187 187 A CA 1.566 53.597 52.037 -0.010 0.000 0.614 187 A CB -0.497 18.493 19.000 -0.018 0.000 0.826 187 A HN 0.528 nan 8.150 nan 0.000 0.442 188 R N -1.162 119.289 120.500 -0.081 0.000 2.127 188 R HA -0.191 4.149 4.340 0.000 0.000 0.238 188 R C 0.989 177.089 176.300 -0.333 0.000 1.134 188 R CA 1.947 57.912 56.100 -0.225 0.000 0.975 188 R CB -0.230 29.878 30.300 -0.321 0.000 0.865 188 R HN 0.737 nan 8.270 nan 0.000 0.447 189 H N -1.338 117.711 119.070 -0.035 0.000 2.594 189 H HA 0.319 4.875 4.556 0.000 0.000 0.279 189 H C -0.255 175.073 175.328 0.001 0.000 1.042 189 H CA -0.157 55.877 56.048 -0.023 0.000 1.177 189 H CB 0.687 30.398 29.762 -0.085 0.000 1.524 189 H HN 0.053 nan 8.280 nan 0.000 0.537 190 R N 0.221 120.764 120.500 0.071 0.000 3.516 190 R HA -0.145 4.196 4.340 0.000 0.000 0.271 190 R C -0.748 175.585 176.300 0.055 0.000 1.098 190 R CA 0.546 56.676 56.100 0.051 0.000 0.732 190 R CB -2.189 28.139 30.300 0.048 0.000 1.152 190 R HN 0.163 nan 8.270 nan 0.000 0.455 191 S N 1.116 116.848 115.700 0.054 0.000 2.528 191 S HA 0.202 4.672 4.470 0.000 0.000 0.277 191 S C -0.865 173.744 174.600 0.016 0.000 1.297 191 S CA -1.090 57.128 58.200 0.030 0.000 1.052 191 S CB 1.195 64.401 63.200 0.011 0.000 0.917 191 S HN 0.168 nan 8.310 nan 0.000 0.492 192 P HA 0.269 nan 4.420 nan 0.000 0.245 192 P C -0.222 177.077 177.300 -0.002 0.000 1.203 192 P CA 0.458 63.561 63.100 0.005 0.000 0.792 192 P CB 0.241 31.945 31.700 0.006 0.000 0.997 193 I N -0.149 120.417 120.570 -0.006 0.000 2.582 193 I HA 0.573 4.743 4.170 0.000 0.000 0.292 193 I C -0.648 175.457 176.117 -0.019 0.000 1.066 193 I CA -1.197 60.095 61.300 -0.013 0.000 1.053 193 I CB 2.453 40.444 38.000 -0.015 0.000 1.241 193 I HN -0.219 nan 8.210 nan 0.000 0.421 194 A N 5.786 128.594 122.820 -0.019 0.000 2.343 194 A HA 0.815 5.135 4.320 0.000 0.000 0.308 194 A C -0.987 176.583 177.584 -0.023 0.000 1.092 194 A CA -0.544 51.479 52.037 -0.023 0.000 0.751 194 A CB 1.400 20.390 19.000 -0.016 0.000 1.203 194 A HN 0.404 nan 8.150 nan 0.000 0.452 195 V N 3.606 123.501 119.914 -0.031 0.000 2.435 195 V HA 0.456 4.576 4.120 0.000 0.000 0.290 195 V C -0.264 175.815 176.094 -0.025 0.000 1.030 195 V CA -0.203 62.081 62.300 -0.028 0.000 0.881 195 V CB 1.231 33.034 31.823 -0.034 0.000 0.983 195 V HN 0.710 nan 8.190 nan 0.000 0.445 196 I N 4.268 124.827 120.570 -0.017 0.000 2.411 196 I HA 0.730 4.900 4.170 0.000 0.000 0.284 196 I C 0.240 176.351 176.117 -0.010 0.000 1.012 196 I CA -0.358 60.938 61.300 -0.007 0.000 1.119 196 I CB 1.597 39.596 38.000 -0.001 0.000 1.261 196 I HN 0.694 nan 8.210 nan 0.000 0.448 197 A N 4.591 127.404 122.820 -0.012 0.000 2.313 197 A HA 1.050 5.370 4.320 0.000 0.000 0.323 197 A C 0.066 177.647 177.584 -0.005 0.000 1.133 197 A CA -0.307 51.722 52.037 -0.013 0.000 0.847 197 A CB 1.700 20.686 19.000 -0.024 0.000 1.308 197 A HN 0.983 nan 8.150 nan 0.000 0.475 198 G N -1.077 107.721 108.800 -0.003 0.000 2.351 198 G HA2 0.380 4.340 3.960 0.000 0.000 0.353 198 G HA3 0.380 4.340 3.960 0.000 0.000 0.353 198 G C -3.637 171.268 174.900 0.008 0.000 1.358 198 G CA -0.486 44.616 45.100 0.004 0.000 0.995 198 G HN 0.693 nan 8.290 nan 0.000 0.611 199 P HA 0.562 nan 4.420 nan 0.000 0.293 199 P C 0.932 178.253 177.300 0.035 0.000 1.300 199 P CA 1.363 64.482 63.100 0.032 0.000 0.792 199 P CB 1.234 32.964 31.700 0.050 0.000 0.925 200 G N 3.910 112.732 108.800 0.037 0.000 2.512 200 G HA2 -0.263 3.697 3.960 0.000 0.000 0.240 200 G HA3 -0.263 3.697 3.960 0.000 0.000 0.240 200 G C 0.494 175.409 174.900 0.026 0.000 1.246 200 G CA -0.063 45.066 45.100 0.048 0.000 0.919 200 G HN 0.444 nan 8.290 nan 0.000 0.577 201 Q N -0.258 119.562 119.800 0.034 0.000 2.408 201 Q HA 0.391 4.731 4.340 0.000 0.000 0.205 201 Q C 2.801 178.787 176.000 -0.024 0.000 0.919 201 Q CA 0.240 56.052 55.803 0.015 0.000 0.932 201 Q CB 0.302 29.063 28.738 0.039 0.000 1.058 201 Q HN 0.515 nan 8.270 nan 0.000 0.517 202 L N 1.546 122.722 121.223 -0.077 0.000 2.043 202 L HA -0.285 4.055 4.340 0.000 0.000 0.212 202 L C 2.469 179.282 176.870 -0.094 0.000 1.075 202 L CA 1.829 56.586 54.840 -0.139 0.000 0.752 202 L CB -0.411 41.488 42.059 -0.268 0.000 0.891 202 L HN 0.290 nan 8.230 nan 0.000 0.432 203 K N -0.976 119.387 120.400 -0.061 0.000 2.063 203 K HA -0.215 4.105 4.320 0.000 0.000 0.208 203 K C 1.958 178.536 176.600 -0.037 0.000 1.048 203 K CA 1.975 58.238 56.287 -0.039 0.000 0.928 203 K CB -0.743 31.746 32.500 -0.019 0.000 0.713 203 K HN 0.239 nan 8.250 nan 0.000 0.442 204 T N 0.152 114.689 114.554 -0.029 0.000 2.942 204 T HA -0.049 4.301 4.350 0.000 0.000 0.265 204 T C 2.074 176.756 174.700 -0.030 0.000 1.062 204 T CA 1.292 63.378 62.100 -0.023 0.000 1.139 204 T CB -0.368 68.492 68.868 -0.012 0.000 0.883 204 T HN 0.462 nan 8.240 nan 0.000 0.468 205 S N 1.110 116.788 115.700 -0.037 0.000 2.383 205 S HA -0.039 4.431 4.470 0.000 0.000 0.227 205 S C 2.052 176.614 174.600 -0.064 0.000 1.026 205 S CA 1.128 59.303 58.200 -0.042 0.000 0.981 205 S CB -0.942 62.236 63.200 -0.036 0.000 0.818 205 S HN 0.375 nan 8.310 nan 0.000 0.472 206 V N 2.608 122.469 119.914 -0.088 0.000 2.343 206 V HA -0.150 3.970 4.120 0.000 0.000 0.247 206 V C 3.065 179.119 176.094 -0.068 0.000 1.051 206 V CA 1.683 63.919 62.300 -0.106 0.000 1.036 206 V CB -1.480 30.266 31.823 -0.129 0.000 0.654 206 V HN 0.638 nan 8.190 nan 0.000 0.451 207 A N -0.368 122.424 122.820 -0.047 0.000 1.877 207 A HA -0.263 4.057 4.320 0.000 0.000 0.216 207 A C 2.164 179.730 177.584 -0.030 0.000 1.186 207 A CA 1.981 53.999 52.037 -0.032 0.000 0.620 207 A CB -0.553 18.433 19.000 -0.023 0.000 0.822 207 A HN 0.607 nan 8.150 nan 0.000 0.443 208 E N -0.189 119.993 120.200 -0.030 0.000 2.070 208 E HA -0.241 4.109 4.350 0.000 0.000 0.197 208 E C 2.122 178.705 176.600 -0.028 0.000 1.004 208 E CA 1.707 58.092 56.400 -0.025 0.000 0.805 208 E CB -0.179 29.508 29.700 -0.022 0.000 0.744 208 E HN 0.592 nan 8.360 nan 0.000 0.451 209 K N 0.324 120.701 120.400 -0.038 0.000 2.057 209 K HA -0.148 4.172 4.320 0.000 0.000 0.207 209 K C 2.397 178.973 176.600 -0.039 0.000 1.049 209 K CA 1.492 57.754 56.287 -0.042 0.000 0.931 209 K CB -0.297 32.168 32.500 -0.058 0.000 0.714 209 K HN 0.144 nan 8.250 nan 0.000 0.440 210 V N 0.122 120.012 119.914 -0.040 0.000 2.515 210 V HA -0.237 3.884 4.120 0.000 0.000 0.250 210 V C 2.206 178.286 176.094 -0.023 0.000 1.058 210 V CA 1.757 64.038 62.300 -0.032 0.000 1.064 210 V CB -0.273 31.533 31.823 -0.028 0.000 0.675 210 V HN 0.218 nan 8.190 nan 0.000 0.461 211 Q N 0.894 120.681 119.800 -0.021 0.000 2.050 211 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 211 Q C 2.492 178.482 176.000 -0.016 0.000 0.980 211 Q CA 2.384 58.177 55.803 -0.017 0.000 0.840 211 Q CB -0.554 28.175 28.738 -0.015 0.000 0.898 211 Q HN 0.681 nan 8.270 nan 0.000 0.424 212 R N -0.891 119.599 120.500 -0.018 0.000 2.096 212 R HA -0.106 4.234 4.340 0.000 0.000 0.235 212 R C 1.954 178.244 176.300 -0.017 0.000 1.127 212 R CA 1.231 57.321 56.100 -0.017 0.000 0.968 212 R CB -0.290 30.000 30.300 -0.018 0.000 0.861 212 R HN 0.357 nan 8.270 nan 0.000 0.440 213 A N 0.166 122.974 122.820 -0.019 0.000 1.929 213 A HA 0.002 4.322 4.320 0.000 0.000 0.216 213 A C 1.091 178.666 177.584 -0.015 0.000 1.176 213 A CA 0.915 52.941 52.037 -0.018 0.000 0.628 213 A CB 0.156 19.143 19.000 -0.022 0.000 0.816 213 A HN 0.248 nan 8.150 nan 0.000 0.444 214 M N -0.505 119.087 119.600 -0.014 0.000 1.960 214 M HA 0.247 4.727 4.480 0.000 0.000 0.271 214 M C -2.388 173.906 176.300 -0.009 0.000 0.862 214 M CA -1.534 53.760 55.300 -0.010 0.000 0.854 214 M CB 2.085 34.679 32.600 -0.009 0.000 1.575 214 M HN -0.048 nan 8.290 nan 0.000 0.375 215 P HA -0.103 nan 4.420 nan 0.000 0.222 215 P C 1.237 178.533 177.300 -0.007 0.000 1.147 215 P CA 1.149 64.244 63.100 -0.008 0.000 0.790 215 P CB 0.198 31.894 31.700 -0.007 0.000 0.780 216 S N -1.845 113.852 115.700 -0.006 0.000 2.548 216 S HA 0.066 4.536 4.470 0.000 0.000 0.215 216 S C 0.638 175.236 174.600 -0.004 0.000 0.976 216 S CA -0.340 57.858 58.200 -0.004 0.000 0.908 216 S CB -0.990 62.209 63.200 -0.003 0.000 0.781 216 S HN -0.027 nan 8.310 nan 0.000 0.519 217 L N 2.915 124.135 121.223 -0.005 0.000 2.380 217 L HA 0.410 4.750 4.340 0.000 0.000 0.273 217 L C 0.089 176.955 176.870 -0.007 0.000 1.138 217 L CA -0.119 54.718 54.840 -0.005 0.000 0.832 217 L CB 0.603 42.658 42.059 -0.006 0.000 1.124 217 L HN 0.159 nan 8.230 nan 0.000 0.454 218 K N 4.064 124.460 120.400 -0.006 0.000 2.378 218 K HA 0.375 4.695 4.320 0.000 0.000 0.288 218 K C -1.474 175.120 176.600 -0.010 0.000 1.057 218 K CA -0.369 55.913 56.287 -0.008 0.000 0.971 218 K CB 0.409 32.904 32.500 -0.007 0.000 0.975 218 K HN 0.535 nan 8.250 nan 0.000 0.475 219 V N 3.752 123.660 119.914 -0.010 0.000 2.409 219 V HA 0.582 4.702 4.120 0.000 0.000 0.291 219 V C -0.551 175.536 176.094 -0.012 0.000 1.020 219 V CA -0.871 61.422 62.300 -0.012 0.000 0.848 219 V CB 1.251 33.067 31.823 -0.012 0.000 0.990 219 V HN 0.899 nan 8.190 nan 0.000 0.430 220 A N 3.452 126.265 122.820 -0.013 0.000 2.330 220 A HA 0.841 5.161 4.320 0.000 0.000 0.313 220 A C 0.154 177.730 177.584 -0.013 0.000 1.124 220 A CA -0.524 51.506 52.037 -0.012 0.000 0.774 220 A CB 1.333 20.325 19.000 -0.012 0.000 1.198 220 A HN 0.846 nan 8.150 nan 0.000 0.465 221 T N -0.647 113.900 114.554 -0.011 0.000 2.918 221 T HA 0.692 5.042 4.350 0.000 0.000 0.283 221 T C -0.258 174.436 174.700 -0.009 0.000 1.001 221 T CA -0.625 61.469 62.100 -0.010 0.000 1.041 221 T CB 1.315 70.178 68.868 -0.009 0.000 1.028 221 T HN 0.783 nan 8.240 nan 0.000 0.511 222 V N 1.651 121.560 119.914 -0.009 0.000 2.711 222 V HA 0.288 4.408 4.120 0.000 0.000 0.304 222 V C -0.960 175.131 176.094 -0.005 0.000 1.097 222 V CA -1.155 61.140 62.300 -0.008 0.000 0.906 222 V CB 2.080 33.896 31.823 -0.012 0.000 1.015 222 V HN 0.958 nan 8.190 nan 0.000 0.427 223 D N 2.626 123.025 120.400 -0.002 0.000 2.417 223 D HA 0.422 5.062 4.640 0.000 0.000 0.250 223 D C 0.069 176.370 176.300 0.002 0.000 1.166 223 D CA 0.661 54.662 54.000 0.002 0.000 0.881 223 D CB 1.658 42.461 40.800 0.005 0.000 1.164 223 D HN 0.530 nan 8.370 nan 0.000 0.467 224 T N -0.270 114.287 114.554 0.004 0.000 2.883 224 T HA 0.177 4.527 4.350 0.000 0.000 0.301 224 T C 1.183 175.889 174.700 0.010 0.000 1.158 224 T CA -0.620 61.482 62.100 0.003 0.000 1.007 224 T CB 1.477 70.343 68.868 -0.003 0.000 1.186 224 T HN 0.259 nan 8.240 nan 0.000 0.499 225 S N 1.632 117.338 115.700 0.010 0.000 2.481 225 S HA 0.152 4.622 4.470 0.000 0.000 0.231 225 S C 0.671 175.285 174.600 0.023 0.000 0.996 225 S CA 0.337 58.547 58.200 0.017 0.000 0.942 225 S CB -0.589 62.620 63.200 0.014 0.000 0.768 225 S HN 0.745 nan 8.310 nan 0.000 0.520 226 M N -2.342 117.270 119.600 0.019 0.000 3.012 226 M HA 0.731 5.211 4.480 0.000 0.000 0.272 226 M C -0.035 176.276 176.300 0.019 0.000 1.187 226 M CA -0.890 54.426 55.300 0.026 0.000 0.813 226 M CB 0.709 33.324 32.600 0.024 0.000 1.626 226 M HN -0.058 nan 8.290 nan 0.000 0.507 227 G N -0.496 108.322 108.800 0.031 0.000 2.641 227 G HA2 0.759 4.719 3.960 0.000 0.000 0.239 227 G HA3 0.759 4.719 3.960 0.000 0.000 0.239 227 G C 0.225 175.124 174.900 -0.001 0.000 1.402 227 G CA -0.438 44.678 45.100 0.027 0.000 1.046 227 G HN 1.692 nan 8.290 nan 0.000 0.565 228 G N -2.102 106.685 108.800 -0.021 0.000 2.682 228 G HA2 -0.120 3.840 3.960 0.000 0.000 0.256 228 G HA3 -0.120 3.840 3.960 0.000 0.000 0.256 228 G C 1.083 175.928 174.900 -0.090 0.000 1.333 228 G CA 0.296 45.358 45.100 -0.063 0.000 0.904 228 G HN 1.320 nan 8.290 nan 0.000 0.569 229 V N 0.719 120.582 119.914 -0.084 0.000 2.392 229 V HA -0.139 3.981 4.120 0.000 0.000 0.249 229 V C 3.396 179.456 176.094 -0.057 0.000 1.059 229 V CA 3.445 65.697 62.300 -0.080 0.000 1.051 229 V CB -1.351 30.434 31.823 -0.063 0.000 0.658 229 V HN 1.555 nan 8.190 nan 0.000 0.455 230 A N 0.409 123.207 122.820 -0.037 0.000 1.933 230 A HA -0.085 4.235 4.320 0.000 0.000 0.218 230 A C 2.424 179.991 177.584 -0.027 0.000 1.175 230 A CA 1.875 53.897 52.037 -0.025 0.000 0.628 230 A CB -1.110 17.883 19.000 -0.012 0.000 0.814 230 A HN 0.533 nan 8.150 nan 0.000 0.444 231 G N -0.531 108.249 108.800 -0.032 0.000 2.418 231 G HA2 -0.103 3.857 3.960 0.000 0.000 0.217 231 G HA3 -0.103 3.857 3.960 0.000 0.000 0.217 231 G C 1.503 176.374 174.900 -0.047 0.000 1.158 231 G CA 1.182 46.263 45.100 -0.032 0.000 0.771 231 G HN 0.308 nan 8.290 nan 0.000 0.545 232 V N 0.675 120.547 119.914 -0.070 0.000 2.287 232 V HA -0.210 3.910 4.120 0.000 0.000 0.248 232 V C 2.946 179.006 176.094 -0.057 0.000 1.053 232 V CA 2.232 64.485 62.300 -0.078 0.000 1.027 232 V CB -0.456 31.302 31.823 -0.108 0.000 0.646 232 V HN 0.318 nan 8.190 nan 0.000 0.447 233 R N -0.396 120.076 120.500 -0.047 0.000 2.090 233 R HA -0.119 4.221 4.340 0.000 0.000 0.228 233 R C 2.390 178.675 176.300 -0.024 0.000 1.110 233 R CA 1.318 57.397 56.100 -0.034 0.000 0.973 233 R CB -0.248 30.035 30.300 -0.027 0.000 0.869 233 R HN 0.683 nan 8.270 nan 0.000 0.440 234 E N 1.098 121.286 120.200 -0.021 0.000 2.051 234 E HA -0.206 4.144 4.350 0.000 0.000 0.192 234 E C 1.970 178.560 176.600 -0.016 0.000 0.991 234 E CA 1.219 57.611 56.400 -0.014 0.000 0.799 234 E CB -0.089 29.605 29.700 -0.010 0.000 0.748 234 E HN 0.309 nan 8.360 nan 0.000 0.449 235 A N 1.597 124.403 122.820 -0.023 0.000 1.903 235 A HA -0.210 4.110 4.320 0.000 0.000 0.219 235 A C 2.198 179.767 177.584 -0.025 0.000 1.191 235 A CA 1.694 53.716 52.037 -0.025 0.000 0.638 235 A CB -0.989 17.991 19.000 -0.034 0.000 0.823 235 A HN 0.404 nan 8.150 nan 0.000 0.451 236 L N -1.971 119.235 121.223 -0.029 0.000 2.633 236 L HA -0.023 4.317 4.340 0.000 0.000 0.235 236 L C 2.179 179.038 176.870 -0.018 0.000 1.163 236 L CA 0.714 55.538 54.840 -0.027 0.000 0.859 236 L CB -0.292 41.748 42.059 -0.032 0.000 0.973 236 L HN 0.333 nan 8.230 nan 0.000 0.451 237 R N -1.350 119.142 120.500 -0.014 0.000 2.509 237 R HA 0.179 4.519 4.340 0.000 0.000 0.297 237 R C 0.107 176.404 176.300 -0.006 0.000 0.951 237 R CA -0.293 55.803 56.100 -0.008 0.000 1.103 237 R CB 0.686 30.983 30.300 -0.004 0.000 1.283 237 R HN 0.012 nan 8.270 nan 0.000 0.534 238 R N 0.720 121.215 120.500 -0.008 0.000 2.368 238 R HA 0.091 4.431 4.340 0.000 0.000 0.302 238 R C 0.519 176.815 176.300 -0.006 0.000 1.002 238 R CA -0.166 55.930 56.100 -0.006 0.000 0.929 238 R CB 1.413 31.709 30.300 -0.007 0.000 1.073 238 R HN 0.116 nan 8.270 nan 0.000 0.464 239 E N 1.327 121.524 120.200 -0.004 0.000 2.113 239 E HA -0.300 4.050 4.350 0.000 0.000 0.210 239 E C 1.436 178.033 176.600 -0.005 0.000 1.040 239 E CA 2.965 59.363 56.400 -0.003 0.000 0.847 239 E CB 0.186 29.885 29.700 -0.002 0.000 0.755 239 E HN 0.718 nan 8.360 nan 0.000 0.459 240 S N -0.285 115.412 115.700 -0.005 0.000 2.359 240 S HA -0.224 4.246 4.470 0.000 0.000 0.223 240 S C 2.151 176.746 174.600 -0.009 0.000 1.039 240 S CA 1.667 59.863 58.200 -0.007 0.000 1.042 240 S CB -0.843 62.353 63.200 -0.007 0.000 0.915 240 S HN 0.161 nan 8.310 nan 0.000 0.439 241 V N 3.131 123.038 119.914 -0.012 0.000 2.427 241 V HA -0.165 3.955 4.120 0.000 0.000 0.248 241 V C 3.065 179.150 176.094 -0.015 0.000 1.051 241 V CA 1.999 64.289 62.300 -0.016 0.000 1.048 241 V CB -1.786 30.025 31.823 -0.020 0.000 0.666 241 V HN 0.846 nan 8.190 nan 0.000 0.456 242 T N -1.168 113.378 114.554 -0.012 0.000 2.867 242 T HA -0.172 4.178 4.350 0.000 0.000 0.268 242 T C 1.940 176.635 174.700 -0.008 0.000 1.057 242 T CA 1.112 63.206 62.100 -0.010 0.000 1.136 242 T CB -0.269 68.594 68.868 -0.007 0.000 0.874 242 T HN 0.437 nan 8.240 nan 0.000 0.466 243 R N 0.865 121.360 120.500 -0.007 0.000 2.064 243 R HA 0.147 4.487 4.340 0.000 0.000 0.228 243 R C 2.621 178.916 176.300 -0.007 0.000 1.144 243 R CA 1.593 57.689 56.100 -0.006 0.000 0.932 243 R CB -0.676 29.621 30.300 -0.005 0.000 0.833 243 R HN 0.355 nan 8.270 nan 0.000 0.429 244 I N 0.868 121.433 120.570 -0.009 0.000 2.145 244 I HA -0.282 3.888 4.170 0.000 0.000 0.244 244 I C 1.272 177.381 176.117 -0.013 0.000 1.075 244 I CA 1.267 62.560 61.300 -0.011 0.000 1.332 244 I CB -0.186 37.806 38.000 -0.013 0.000 1.033 244 I HN 0.128 nan 8.210 nan 0.000 0.410 245 L N 0.938 122.151 121.223 -0.016 0.000 2.791 245 L HA 0.096 4.436 4.340 0.000 0.000 0.239 245 L C 1.923 178.784 176.870 -0.016 0.000 1.203 245 L CA 0.513 55.341 54.840 -0.019 0.000 1.002 245 L CB -0.775 41.268 42.059 -0.027 0.000 1.295 245 L HN 0.228 nan 8.230 nan 0.000 0.504 246 R N -0.338 120.156 120.500 -0.010 0.000 2.154 246 R HA -0.159 4.181 4.340 0.000 0.000 0.248 246 R C 1.212 177.510 176.300 -0.004 0.000 1.155 246 R CA 1.536 57.633 56.100 -0.006 0.000 0.979 246 R CB -0.657 29.641 30.300 -0.003 0.000 0.869 246 R HN 0.315 nan 8.270 nan 0.000 0.452 247 E N 0.461 120.659 120.200 -0.004 0.000 2.511 247 E HA 0.007 4.357 4.350 0.000 0.000 0.196 247 E C -0.408 176.191 176.600 -0.003 0.000 1.066 247 E CA 0.099 56.500 56.400 0.001 0.000 0.871 247 E CB 0.125 29.827 29.700 0.002 0.000 0.863 247 E HN 0.171 nan 8.360 nan 0.000 0.520 248 L N 0.961 122.175 121.223 -0.015 0.000 2.265 248 L HA 0.086 4.426 4.340 0.000 0.000 0.288 248 L C 1.347 178.203 176.870 -0.023 0.000 1.058 248 L CA 0.253 55.074 54.840 -0.032 0.000 0.809 248 L CB 1.537 43.564 42.059 -0.052 0.000 1.179 248 L HN -0.164 nan 8.230 nan 0.000 0.429 249 S N 3.204 118.895 115.700 -0.015 0.000 2.359 249 S HA -0.183 4.287 4.470 0.000 0.000 0.224 249 S C 1.905 176.501 174.600 -0.007 0.000 1.035 249 S CA 1.378 59.584 58.200 0.010 0.000 1.018 249 S CB -0.287 62.945 63.200 0.053 0.000 0.876 249 S HN 0.616 nan 8.310 nan 0.000 0.448 250 I N 1.135 121.680 120.570 -0.041 0.000 2.248 250 I HA -0.200 3.970 4.170 0.000 0.000 0.248 250 I C 2.141 178.240 176.117 -0.030 0.000 1.107 250 I CA 1.037 62.312 61.300 -0.043 0.000 1.373 250 I CB -0.350 37.603 38.000 -0.077 0.000 1.055 250 I HN 0.170 nan 8.210 nan 0.000 0.418 251 V N 0.231 120.126 119.914 -0.031 0.000 2.346 251 V HA -0.250 3.870 4.120 0.000 0.000 0.244 251 V C 2.417 178.504 176.094 -0.013 0.000 1.037 251 V CA 1.927 64.213 62.300 -0.023 0.000 1.029 251 V CB -0.573 31.234 31.823 -0.025 0.000 0.663 251 V HN 0.472 nan 8.190 nan 0.000 0.454 252 E N 0.694 120.890 120.200 -0.008 0.000 2.058 252 E HA -0.283 4.067 4.350 0.000 0.000 0.194 252 E C 2.227 178.827 176.600 -0.000 0.000 0.997 252 E CA 1.566 57.966 56.400 -0.001 0.000 0.801 252 E CB -0.296 29.408 29.700 0.006 0.000 0.746 252 E HN 0.524 nan 8.360 nan 0.000 0.450 253 A N 0.981 123.800 122.820 -0.001 0.000 1.940 253 A HA -0.333 3.987 4.320 0.000 0.000 0.221 253 A C 2.032 179.611 177.584 -0.008 0.000 1.190 253 A CA 2.212 54.246 52.037 -0.005 0.000 0.647 253 A CB -0.809 18.190 19.000 -0.003 0.000 0.821 253 A HN 0.406 nan 8.150 nan 0.000 0.457 254 E N -0.560 119.637 120.200 -0.005 0.000 2.110 254 E HA -0.044 4.306 4.350 0.000 0.000 0.193 254 E C 2.050 178.652 176.600 0.004 0.000 0.988 254 E CA 1.390 57.789 56.400 -0.002 0.000 0.804 254 E CB -0.678 29.020 29.700 -0.004 0.000 0.745 254 E HN 0.486 nan 8.360 nan 0.000 0.458 255 G N 0.171 108.973 108.800 0.004 0.000 2.418 255 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 255 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 255 G C 1.706 176.615 174.900 0.015 0.000 1.158 255 G CA 1.166 46.271 45.100 0.009 0.000 0.771 255 G HN 0.348 nan 8.290 nan 0.000 0.545 256 V N 0.315 120.235 119.914 0.010 0.000 2.358 256 V HA -0.056 4.064 4.120 0.000 0.000 0.246 256 V C 2.548 178.662 176.094 0.034 0.000 1.047 256 V CA 1.947 64.256 62.300 0.016 0.000 1.035 256 V CB -0.420 31.402 31.823 -0.000 0.000 0.658 256 V HN 0.225 nan 8.190 nan 0.000 0.452 257 L N 1.254 122.478 121.223 0.001 0.000 1.990 257 L HA -0.226 4.114 4.340 0.000 0.000 0.213 257 L C 2.602 179.526 176.870 0.089 0.000 1.072 257 L CA 2.892 57.739 54.840 0.012 0.000 0.755 257 L CB -1.164 40.887 42.059 -0.014 0.000 0.889 257 L HN 0.679 nan 8.230 nan 0.000 0.432 258 E N -0.807 119.424 120.200 0.052 0.000 2.070 258 E HA -0.339 4.011 4.350 0.000 0.000 0.197 258 E C 2.093 178.720 176.600 0.044 0.000 1.004 258 E CA 1.617 58.044 56.400 0.045 0.000 0.805 258 E CB -0.156 29.559 29.700 0.025 0.000 0.744 258 E HN 0.631 nan 8.360 nan 0.000 0.451 259 E N 0.080 120.308 120.200 0.048 0.000 2.077 259 E HA -0.200 4.150 4.350 0.000 0.000 0.193 259 E C 1.807 178.434 176.600 0.045 0.000 0.989 259 E CA 1.382 57.804 56.400 0.036 0.000 0.800 259 E CB -0.598 29.122 29.700 0.035 0.000 0.746 259 E HN 0.422 nan 8.360 nan 0.000 0.452 260 F N 0.583 120.484 119.950 -0.082 0.000 2.095 260 F HA -0.140 4.387 4.527 0.000 0.000 0.298 260 F C 1.786 177.507 175.800 -0.132 0.000 1.104 260 F CA 1.592 59.519 58.000 -0.122 0.000 1.232 260 F CB -0.237 38.654 39.000 -0.182 0.000 0.987 260 F HN 0.050 nan 8.300 nan 0.000 0.475 261 L N 0.109 121.281 121.223 -0.085 0.000 2.046 261 L HA -0.197 4.143 4.340 0.000 0.000 0.208 261 L C 2.732 179.507 176.870 -0.157 0.000 1.077 261 L CA 1.567 56.308 54.840 -0.165 0.000 0.747 261 L CB -0.776 41.292 42.059 0.014 0.000 0.896 261 L HN 0.132 nan 8.230 nan 0.000 0.432 262 R N 0.389 120.834 120.500 -0.091 0.000 2.094 262 R HA -0.208 4.132 4.340 0.000 0.000 0.239 262 R C 2.521 178.755 176.300 -0.110 0.000 1.137 262 R CA 1.785 57.841 56.100 -0.072 0.000 0.943 262 R CB -0.107 30.169 30.300 -0.040 0.000 0.850 262 R HN 0.284 nan 8.270 nan 0.000 0.433 263 R N 0.020 120.426 120.500 -0.156 0.000 2.073 263 R HA -0.098 4.242 4.340 0.000 0.000 0.234 263 R C 2.362 178.532 176.300 -0.217 0.000 1.134 263 R CA 1.378 57.375 56.100 -0.172 0.000 0.952 263 R CB -0.408 29.783 30.300 -0.182 0.000 0.850 263 R HN 0.277 nan 8.270 nan 0.000 0.433 264 I N 0.906 121.255 120.570 -0.370 0.000 2.315 264 I HA -0.274 3.896 4.170 0.000 0.000 0.251 264 I C 2.270 178.304 176.117 -0.139 0.000 1.125 264 I CA 1.525 62.639 61.300 -0.310 0.000 1.392 264 I CB -0.872 36.870 38.000 -0.431 0.000 1.065 264 I HN 0.214 nan 8.210 nan 0.000 0.424 265 A N -0.631 122.120 122.820 -0.114 0.000 2.030 265 A HA -0.075 4.245 4.320 0.000 0.000 0.215 265 A C 2.215 179.772 177.584 -0.046 0.000 1.164 265 A CA 0.959 52.961 52.037 -0.059 0.000 0.697 265 A CB -0.010 18.964 19.000 -0.043 0.000 0.827 265 A HN 0.219 nan 8.150 nan 0.000 0.457 266 K N -1.596 118.770 120.400 -0.056 0.000 2.474 266 K HA 0.294 4.614 4.320 0.000 0.000 0.202 266 K C -0.196 176.384 176.600 -0.033 0.000 1.248 266 K CA 0.627 56.892 56.287 -0.038 0.000 0.946 266 K CB 1.066 33.545 32.500 -0.035 0.000 1.102 266 K HN 0.149 nan 8.250 nan 0.000 0.541 267 S N 0.133 115.805 115.700 -0.047 0.000 2.606 267 S HA 0.213 4.683 4.470 0.000 0.000 0.156 267 S C 0.161 174.735 174.600 -0.044 0.000 1.308 267 S CA -0.484 57.696 58.200 -0.034 0.000 1.228 267 S CB 0.798 63.981 63.200 -0.027 0.000 1.568 267 S HN 0.137 nan 8.310 nan 0.000 0.397 268 R N 1.413 121.891 120.500 -0.038 0.000 2.159 268 R HA -0.093 4.247 4.340 0.000 0.000 0.237 268 R C 0.744 177.035 176.300 -0.015 0.000 1.131 268 R CA 1.664 57.741 56.100 -0.037 0.000 0.982 268 R CB 0.048 30.342 30.300 -0.010 0.000 0.868 268 R HN 0.255 nan 8.270 nan 0.000 0.453 269 D N -1.021 119.377 120.400 -0.003 0.000 2.317 269 D HA -0.063 4.577 4.640 0.000 0.000 0.211 269 D C 0.896 177.200 176.300 0.008 0.000 0.966 269 D CA 1.299 55.305 54.000 0.011 0.000 0.876 269 D CB 0.248 41.062 40.800 0.023 0.000 0.927 269 D HN 0.350 nan 8.370 nan 0.000 0.519 270 T N -1.779 112.771 114.554 -0.007 0.000 3.312 270 T HA 0.354 4.704 4.350 0.000 0.000 0.251 270 T C 0.283 174.973 174.700 -0.015 0.000 1.012 270 T CA -0.410 61.679 62.100 -0.018 0.000 0.925 270 T CB -0.037 68.821 68.868 -0.016 0.000 1.049 270 T HN -0.207 nan 8.240 nan 0.000 0.583 271 V N -0.057 119.863 119.914 0.009 0.000 3.178 271 V HA 0.850 4.970 4.120 0.000 0.000 0.302 271 V C -1.415 174.764 176.094 0.142 0.000 1.262 271 V CA -0.695 61.653 62.300 0.081 0.000 1.030 271 V CB 2.158 33.956 31.823 -0.042 0.000 1.074 271 V HN 0.733 nan 8.190 nan 0.000 0.438 272 A N 3.212 126.186 122.820 0.257 0.000 2.589 272 A HA 0.978 5.298 4.320 0.000 0.000 0.296 272 A C -1.856 175.918 177.584 0.316 0.000 1.062 272 A CA -0.444 51.708 52.037 0.191 0.000 0.686 272 A CB 1.859 20.893 19.000 0.057 0.000 1.282 272 A HN 1.757 nan 8.150 nan 0.000 0.404 273 Y N -1.550 118.833 120.300 0.140 0.000 2.625 273 Y HA 0.879 5.429 4.550 0.000 0.000 0.338 273 Y C -0.145 175.817 175.900 0.104 0.000 1.123 273 Y CA -0.551 57.616 58.100 0.112 0.000 1.046 273 Y CB 0.850 39.423 38.460 0.187 0.000 1.299 273 Y HN 1.563 nan 8.280 nan 0.000 0.464 274 T N 1.613 116.314 114.554 0.245 0.000 0.541 274 T HA -0.079 4.271 4.350 0.000 0.000 0.774 274 T C -2.348 172.389 174.700 0.061 0.000 0.992 274 T CA -0.179 62.004 62.100 0.138 0.000 4.077 274 T CB -0.376 68.528 68.868 0.061 0.000 2.303 274 T HN 0.685 nan 8.240 nan 0.000 0.398 275 P HA -0.032 nan 4.420 nan 0.000 0.215 275 P C 1.506 178.811 177.300 0.009 0.000 1.153 275 P CA 1.786 64.900 63.100 0.025 0.000 0.853 275 P CB -0.189 31.523 31.700 0.020 0.000 0.788 276 G N -0.149 108.653 108.800 0.003 0.000 2.421 276 G HA2 -0.275 3.685 3.960 0.000 0.000 0.216 276 G HA3 -0.275 3.685 3.960 0.000 0.000 0.216 276 G C 1.633 176.523 174.900 -0.017 0.000 1.171 276 G CA 0.647 45.742 45.100 -0.007 0.000 0.775 276 G HN 0.293 nan 8.290 nan 0.000 0.543 277 E N -0.260 119.921 120.200 -0.032 0.000 2.150 277 E HA -0.053 4.297 4.350 0.000 0.000 0.193 277 E C 2.563 179.149 176.600 -0.024 0.000 0.985 277 E CA 0.579 56.951 56.400 -0.047 0.000 0.814 277 E CB 0.033 29.670 29.700 -0.106 0.000 0.752 277 E HN 0.282 nan 8.360 nan 0.000 0.466 278 V N 1.123 121.032 119.914 -0.008 0.000 2.591 278 V HA -0.186 3.934 4.120 0.000 0.000 0.249 278 V C 2.206 178.298 176.094 -0.003 0.000 1.053 278 V CA 0.938 63.239 62.300 0.002 0.000 1.068 278 V CB -0.195 31.637 31.823 0.016 0.000 0.689 278 V HN 0.321 nan 8.190 nan 0.000 0.462 279 L N 1.270 122.490 121.223 -0.004 0.000 2.017 279 L HA -0.040 4.300 4.340 0.000 0.000 0.208 279 L C 2.479 179.348 176.870 -0.002 0.000 1.073 279 L CA 2.429 57.266 54.840 -0.004 0.000 0.745 279 L CB -1.158 40.898 42.059 -0.005 0.000 0.894 279 L HN 0.216 nan 8.230 nan 0.000 0.432 280 A N -0.625 122.193 122.820 -0.003 0.000 1.908 280 A HA -0.186 4.134 4.320 0.000 0.000 0.218 280 A C 2.200 179.788 177.584 0.007 0.000 1.181 280 A CA 2.700 54.737 52.037 0.001 0.000 0.627 280 A CB -1.287 17.711 19.000 -0.003 0.000 0.818 280 A HN 0.533 nan 8.150 nan 0.000 0.445 281 V N -3.101 116.814 119.914 0.001 0.000 2.951 281 V HA 0.233 4.353 4.120 0.000 0.000 0.255 281 V C 2.412 178.503 176.094 -0.005 0.000 1.088 281 V CA 1.207 63.507 62.300 -0.000 0.000 1.109 281 V CB -1.118 30.693 31.823 -0.020 0.000 0.724 281 V HN 0.482 nan 8.190 nan 0.000 0.471 282 A N 1.011 123.829 122.820 -0.004 0.000 1.930 282 A HA -0.085 4.235 4.320 0.000 0.000 0.217 282 A C 2.438 180.028 177.584 0.010 0.000 1.175 282 A CA 1.555 53.591 52.037 -0.003 0.000 0.627 282 A CB -0.484 18.514 19.000 -0.004 0.000 0.815 282 A HN 0.518 nan 8.150 nan 0.000 0.443 283 R N -0.650 119.858 120.500 0.013 0.000 2.092 283 R HA -0.046 4.294 4.340 0.000 0.000 0.231 283 R C 1.917 178.238 176.300 0.035 0.000 1.119 283 R CA 1.578 57.690 56.100 0.019 0.000 0.970 283 R CB -0.457 29.852 30.300 0.015 0.000 0.864 283 R HN 0.589 nan 8.270 nan 0.000 0.440 284 M N -0.254 119.376 119.600 0.050 0.000 2.557 284 M HA 0.087 4.567 4.480 0.000 0.000 0.259 284 M C 1.045 177.419 176.300 0.124 0.000 1.086 284 M CA 1.065 56.420 55.300 0.092 0.000 1.096 284 M CB 0.108 32.788 32.600 0.134 0.000 1.424 284 M HN 0.391 nan 8.290 nan 0.000 0.488 285 G N 0.699 109.544 108.800 0.075 0.000 2.176 285 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 285 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 285 G C 0.735 175.669 174.900 0.058 0.000 1.024 285 G CA 0.304 45.448 45.100 0.073 0.000 0.755 285 G HN 0.620 nan 8.290 nan 0.000 0.507 286 A N -1.004 121.785 122.820 -0.052 0.000 2.178 286 A HA 0.566 4.886 4.320 0.000 0.000 0.211 286 A C 1.272 178.663 177.584 -0.321 0.000 1.157 286 A CA 1.097 52.874 52.037 -0.433 0.000 0.780 286 A CB 0.365 19.037 19.000 -0.546 0.000 0.828 286 A HN 1.050 nan 8.150 nan 0.000 0.476 287 V N 1.771 121.601 119.914 -0.141 0.000 2.405 287 V HA 0.039 4.159 4.120 0.000 0.000 0.264 287 V C 1.229 177.283 176.094 -0.066 0.000 1.048 287 V CA 0.131 62.375 62.300 -0.093 0.000 0.966 287 V CB 0.928 32.722 31.823 -0.048 0.000 1.015 287 V HN 0.546 nan 8.190 nan 0.000 0.477 288 D N 3.727 124.087 120.400 -0.066 0.000 2.091 288 D HA -0.058 4.582 4.640 0.000 0.000 0.199 288 D C 0.977 177.267 176.300 -0.016 0.000 0.980 288 D CA 1.675 55.656 54.000 -0.033 0.000 0.831 288 D CB 0.547 41.330 40.800 -0.028 0.000 0.987 288 D HN 0.649 nan 8.370 nan 0.000 0.460 289 T N -0.974 113.572 114.554 -0.014 0.000 2.916 289 T HA 0.520 4.870 4.350 0.000 0.000 0.305 289 T C -1.469 173.225 174.700 -0.011 0.000 1.119 289 T CA -0.817 61.279 62.100 -0.007 0.000 1.008 289 T CB 1.711 70.579 68.868 -0.001 0.000 1.129 289 T HN -0.139 nan 8.240 nan 0.000 0.480 290 V N 5.457 125.364 119.914 -0.011 0.000 2.604 290 V HA 0.747 4.867 4.120 0.000 0.000 0.305 290 V C -1.131 174.951 176.094 -0.021 0.000 1.043 290 V CA -1.057 61.232 62.300 -0.018 0.000 0.888 290 V CB 1.478 33.294 31.823 -0.012 0.000 0.995 290 V HN 0.989 nan 8.190 nan 0.000 0.429 291 L N 8.011 129.207 121.223 -0.045 0.000 2.349 291 L HA 0.652 4.992 4.340 0.000 0.000 0.278 291 L C -1.503 175.344 176.870 -0.038 0.000 0.996 291 L CA -0.580 54.234 54.840 -0.043 0.000 0.825 291 L CB 1.549 43.558 42.059 -0.084 0.000 1.243 291 L HN 0.705 nan 8.230 nan 0.000 0.412 292 L N 4.407 125.632 121.223 0.004 0.000 2.479 292 L HA 0.621 4.961 4.340 0.000 0.000 0.255 292 L C -0.669 176.238 176.870 0.061 0.000 1.026 292 L CA -0.845 54.007 54.840 0.020 0.000 0.842 292 L CB 1.068 43.138 42.059 0.019 0.000 1.444 292 L HN 0.336 nan 8.230 nan 0.000 0.409 293 V N -0.671 119.285 119.914 0.070 0.000 2.465 293 V HA 0.309 4.429 4.120 0.000 0.000 0.279 293 V C 1.332 177.501 176.094 0.124 0.000 1.045 293 V CA 0.007 62.374 62.300 0.111 0.000 0.938 293 V CB 0.935 32.816 31.823 0.097 0.000 0.986 293 V HN 0.944 nan 8.190 nan 0.000 0.467 294 D N 2.659 123.170 120.400 0.185 0.000 2.315 294 D HA -0.274 4.366 4.640 0.000 0.000 0.211 294 D C 1.761 178.163 176.300 0.169 0.000 0.977 294 D CA 1.814 55.903 54.000 0.149 0.000 0.894 294 D CB -0.403 40.506 40.800 0.181 0.000 0.910 294 D HN 0.884 nan 8.370 nan 0.000 0.490 295 T N -1.151 113.495 114.554 0.153 0.000 2.915 295 T HA -0.086 4.264 4.350 0.000 0.000 0.269 295 T C 2.291 177.063 174.700 0.120 0.000 1.071 295 T CA 0.435 62.619 62.100 0.140 0.000 1.132 295 T CB -0.618 68.312 68.868 0.105 0.000 0.878 295 T HN 0.195 nan 8.240 nan 0.000 0.479 296 L N -0.134 121.138 121.223 0.082 0.000 2.046 296 L HA -0.030 4.311 4.340 0.000 0.000 0.208 296 L C 2.516 179.388 176.870 0.004 0.000 1.077 296 L CA 0.886 55.752 54.840 0.044 0.000 0.747 296 L CB -0.512 41.567 42.059 0.033 0.000 0.896 296 L HN 0.278 nan 8.230 nan 0.000 0.432 297 L N -0.762 120.446 121.223 -0.025 0.000 2.189 297 L HA -0.255 4.085 4.340 0.000 0.000 0.214 297 L C 1.929 178.600 176.870 -0.332 0.000 1.097 297 L CA 1.731 56.463 54.840 -0.180 0.000 0.764 297 L CB -1.063 40.861 42.059 -0.226 0.000 0.900 297 L HN 0.362 nan 8.230 nan 0.000 0.436 298 H N -2.462 116.600 119.070 -0.013 0.000 2.662 298 H HA 0.241 4.797 4.556 0.000 0.000 0.268 298 H C 0.819 176.149 175.328 0.003 0.000 1.152 298 H CA -0.151 55.893 56.048 -0.007 0.000 1.072 298 H CB 0.616 30.376 29.762 -0.003 0.000 1.660 298 H HN 0.136 nan 8.280 nan 0.000 0.584 299 S N 3.070 118.815 115.700 0.075 0.000 2.553 299 S HA -0.044 4.426 4.470 0.000 0.000 0.293 299 S C -1.025 173.602 174.600 0.046 0.000 1.296 299 S CA -0.763 57.469 58.200 0.052 0.000 1.046 299 S CB 0.881 64.097 63.200 0.026 0.000 0.810 299 S HN 0.240 nan 8.310 nan 0.000 0.505 300 P HA 0.086 nan 4.420 nan 0.000 0.245 300 P C -0.148 177.163 177.300 0.019 0.000 1.206 300 P CA 0.209 63.328 63.100 0.033 0.000 0.781 300 P CB -0.091 31.628 31.700 0.031 0.000 0.994 301 D N 1.143 121.552 120.400 0.015 0.000 2.352 301 D HA 0.010 4.650 4.640 0.000 0.000 0.245 301 D C 0.454 176.753 176.300 -0.001 0.000 1.224 301 D CA -0.054 53.950 54.000 0.007 0.000 0.879 301 D CB 0.448 41.253 40.800 0.009 0.000 1.057 301 D HN -0.196 nan 8.370 nan 0.000 0.491 302 D N 3.138 123.536 120.400 -0.005 0.000 2.190 302 D HA -0.184 4.456 4.640 0.000 0.000 0.200 302 D C 1.821 178.110 176.300 -0.018 0.000 0.992 302 D CA 1.345 55.337 54.000 -0.014 0.000 0.854 302 D CB -0.082 40.709 40.800 -0.014 0.000 0.936 302 D HN 0.544 nan 8.370 nan 0.000 0.462 303 A N 0.665 123.478 122.820 -0.012 0.000 1.877 303 A HA -0.149 4.171 4.320 0.000 0.000 0.216 303 A C 2.446 180.022 177.584 -0.014 0.000 1.186 303 A CA 2.139 54.169 52.037 -0.013 0.000 0.620 303 A CB -0.940 18.056 19.000 -0.008 0.000 0.822 303 A HN 0.259 nan 8.150 nan 0.000 0.443 304 V N -1.148 118.760 119.914 -0.010 0.000 2.548 304 V HA -0.157 3.963 4.120 0.000 0.000 0.249 304 V C 2.168 178.249 176.094 -0.020 0.000 1.055 304 V CA 1.921 64.216 62.300 -0.009 0.000 1.065 304 V CB -0.824 31.000 31.823 0.002 0.000 0.681 304 V HN 0.528 nan 8.190 nan 0.000 0.462 305 R N 0.371 120.854 120.500 -0.029 0.000 2.080 305 R HA -0.166 4.174 4.340 0.000 0.000 0.236 305 R C 2.439 178.707 176.300 -0.054 0.000 1.137 305 R CA 2.371 58.438 56.100 -0.054 0.000 0.943 305 R CB -0.513 29.745 30.300 -0.069 0.000 0.846 305 R HN 0.676 nan 8.270 nan 0.000 0.431 306 E N 0.387 120.560 120.200 -0.045 0.000 2.085 306 E HA -0.197 4.153 4.350 0.000 0.000 0.194 306 E C 2.060 178.638 176.600 -0.035 0.000 0.994 306 E CA 1.193 57.567 56.400 -0.044 0.000 0.801 306 E CB -0.166 29.511 29.700 -0.038 0.000 0.743 306 E HN 0.370 nan 8.360 nan 0.000 0.453 307 A N 0.981 123.785 122.820 -0.027 0.000 1.908 307 A HA -0.162 4.158 4.320 0.000 0.000 0.218 307 A C 2.509 180.081 177.584 -0.021 0.000 1.181 307 A CA 1.370 53.395 52.037 -0.020 0.000 0.627 307 A CB -0.629 18.363 19.000 -0.013 0.000 0.818 307 A HN 0.128 nan 8.150 nan 0.000 0.445 308 V N 0.222 120.121 119.914 -0.025 0.000 2.379 308 V HA -0.176 3.944 4.120 0.000 0.000 0.245 308 V C 2.131 178.205 176.094 -0.034 0.000 1.044 308 V CA 2.082 64.367 62.300 -0.025 0.000 1.036 308 V CB -0.738 31.069 31.823 -0.027 0.000 0.664 308 V HN 0.458 nan 8.190 nan 0.000 0.453 309 D N -0.353 120.020 120.400 -0.046 0.000 2.144 309 D HA -0.142 4.498 4.640 0.000 0.000 0.199 309 D C 2.291 178.570 176.300 -0.035 0.000 0.984 309 D CA 0.902 54.872 54.000 -0.049 0.000 0.834 309 D CB -0.052 40.710 40.800 -0.064 0.000 0.955 309 D HN 0.331 nan 8.370 nan 0.000 0.465 310 E N 0.584 120.766 120.200 -0.030 0.000 2.031 310 E HA -0.114 4.237 4.350 0.000 0.000 0.193 310 E C 2.080 178.670 176.600 -0.016 0.000 0.994 310 E CA 0.917 57.304 56.400 -0.022 0.000 0.800 310 E CB -0.297 29.391 29.700 -0.020 0.000 0.752 310 E HN 0.164 nan 8.360 nan 0.000 0.447 311 A N 1.115 123.926 122.820 -0.015 0.000 1.927 311 A HA -0.222 4.098 4.320 0.000 0.000 0.220 311 A C 2.246 179.823 177.584 -0.010 0.000 1.185 311 A CA 1.529 53.560 52.037 -0.010 0.000 0.639 311 A CB -0.670 18.325 19.000 -0.009 0.000 0.820 311 A HN 0.204 nan 8.150 nan 0.000 0.451 312 L N -0.412 120.803 121.223 -0.014 0.000 2.017 312 L HA -0.140 4.200 4.340 0.000 0.000 0.208 312 L C 2.610 179.474 176.870 -0.009 0.000 1.073 312 L CA 2.225 57.057 54.840 -0.013 0.000 0.745 312 L CB -0.980 41.067 42.059 -0.020 0.000 0.894 312 L HN 0.531 nan 8.230 nan 0.000 0.432 313 R N -0.611 119.883 120.500 -0.010 0.000 2.083 313 R HA -0.208 4.132 4.340 0.000 0.000 0.237 313 R C 2.273 178.573 176.300 -0.001 0.000 1.137 313 R CA 1.595 57.692 56.100 -0.005 0.000 0.951 313 R CB -0.383 29.912 30.300 -0.008 0.000 0.851 313 R HN 0.182 nan 8.270 nan 0.000 0.434 314 L N 0.526 121.747 121.223 -0.002 0.000 1.971 314 L HA -0.197 4.143 4.340 0.000 0.000 0.215 314 L C 2.583 179.455 176.870 0.003 0.000 1.072 314 L CA 1.445 56.285 54.840 0.002 0.000 0.758 314 L CB -0.936 41.124 42.059 0.001 0.000 0.889 314 L HN 0.026 nan 8.230 nan 0.000 0.433 315 V N -0.603 119.311 119.914 -0.000 0.000 2.278 315 V HA -0.368 3.752 4.120 0.000 0.000 0.251 315 V C 2.579 178.675 176.094 0.003 0.000 1.062 315 V CA 2.187 64.487 62.300 -0.001 0.000 1.038 315 V CB -0.482 31.338 31.823 -0.005 0.000 0.646 315 V HN 0.550 nan 8.190 nan 0.000 0.447 316 E N 0.062 120.264 120.200 0.004 0.000 2.112 316 E HA -0.154 4.196 4.350 0.000 0.000 0.190 316 E C 2.270 178.876 176.600 0.010 0.000 0.979 316 E CA 1.091 57.496 56.400 0.007 0.000 0.814 316 E CB -0.097 29.607 29.700 0.007 0.000 0.762 316 E HN 0.750 nan 8.360 nan 0.000 0.460 317 S N -0.123 115.583 115.700 0.010 0.000 2.474 317 S HA -0.095 4.375 4.470 0.000 0.000 0.235 317 S C 1.507 176.116 174.600 0.014 0.000 0.997 317 S CA 0.765 58.971 58.200 0.012 0.000 0.949 317 S CB -0.105 63.102 63.200 0.010 0.000 0.766 317 S HN 0.237 nan 8.310 nan 0.000 0.517 318 M N 0.863 120.472 119.600 0.015 0.000 2.673 318 M HA 0.394 4.874 4.480 0.000 0.000 0.334 318 M C 1.143 177.455 176.300 0.020 0.000 1.211 318 M CA 0.252 55.564 55.300 0.020 0.000 0.962 318 M CB 0.825 33.440 32.600 0.025 0.000 1.343 318 M HN 0.463 nan 8.290 nan 0.000 0.511 319 G N 0.283 109.093 108.800 0.016 0.000 2.159 319 G HA2 -0.189 3.771 3.960 0.000 0.000 0.256 319 G HA3 -0.189 3.771 3.960 0.000 0.000 0.256 319 G C 0.244 175.151 174.900 0.012 0.000 0.977 319 G CA -0.174 44.935 45.100 0.016 0.000 0.652 319 G HN 0.641 nan 8.290 nan 0.000 0.531 320 G N -0.767 108.038 108.800 0.008 0.000 2.502 320 G HA2 0.645 4.605 3.960 0.000 0.000 0.305 320 G HA3 0.645 4.605 3.960 0.000 0.000 0.305 320 G C -0.034 174.870 174.900 0.005 0.000 1.190 320 G CA -0.107 44.995 45.100 0.003 0.000 0.933 320 G HN 0.733 nan 8.290 nan 0.000 0.503 321 R N -0.793 119.710 120.500 0.004 0.000 2.393 321 R HA 0.547 4.887 4.340 0.000 0.000 0.310 321 R C -0.812 175.492 176.300 0.008 0.000 0.968 321 R CA -0.668 55.437 56.100 0.009 0.000 0.867 321 R CB 1.755 32.062 30.300 0.011 0.000 1.124 321 R HN 0.544 nan 8.270 nan 0.000 0.450 322 V N 5.060 124.982 119.914 0.012 0.000 2.459 322 V HA 0.563 4.683 4.120 0.000 0.000 0.295 322 V C -0.632 175.479 176.094 0.028 0.000 1.029 322 V CA -0.642 61.666 62.300 0.014 0.000 0.874 322 V CB 1.355 33.183 31.823 0.008 0.000 0.985 322 V HN 0.794 nan 8.190 nan 0.000 0.438 323 I N 6.899 127.488 120.570 0.031 0.000 2.382 323 I HA 0.480 4.650 4.170 0.000 0.000 0.286 323 I C -0.463 175.699 176.117 0.076 0.000 1.002 323 I CA -0.438 60.895 61.300 0.055 0.000 1.135 323 I CB 1.706 39.729 38.000 0.039 0.000 1.288 323 I HN 0.510 nan 8.210 nan 0.000 0.448 324 I N 7.484 128.132 120.570 0.129 0.000 2.321 324 I HA 0.457 4.627 4.170 0.000 0.000 0.291 324 I C -0.032 176.279 176.117 0.325 0.000 0.998 324 I CA -0.571 60.838 61.300 0.182 0.000 1.227 324 I CB 1.263 39.348 38.000 0.141 0.000 1.368 324 I HN 0.502 nan 8.210 nan 0.000 0.466 325 I N 4.285 125.019 120.570 0.274 0.000 2.892 325 I HA 0.665 4.835 4.170 0.000 0.000 0.306 325 I C -2.756 173.547 176.117 0.309 0.000 1.078 325 I CA -2.955 58.501 61.300 0.259 0.000 1.032 325 I CB 1.875 39.937 38.000 0.103 0.000 1.229 325 I HN 0.172 nan 8.210 nan 0.000 0.435 326 P HA 0.026 nan 4.420 nan 0.000 0.264 326 P C 0.874 178.260 177.300 0.142 0.000 1.183 326 P CA 0.412 63.639 63.100 0.211 0.000 0.763 326 P CB 0.745 32.454 31.700 0.015 0.000 0.807 327 G N 2.289 111.178 108.800 0.148 0.000 2.448 327 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 327 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 327 G C 0.164 175.101 174.900 0.063 0.000 1.127 327 G CA 0.388 45.545 45.100 0.095 0.000 0.766 327 G HN 0.434 nan 8.290 nan 0.000 0.552 328 D N 0.763 121.198 120.400 0.059 0.000 2.741 328 D HA 0.374 5.014 4.640 0.000 0.000 0.233 328 D C 0.311 176.619 176.300 0.013 0.000 1.160 328 D CA 0.125 54.144 54.000 0.031 0.000 1.003 328 D CB 0.328 41.145 40.800 0.028 0.000 1.064 328 D HN 0.323 nan 8.370 nan 0.000 0.503 329 S N -0.984 114.723 115.700 0.011 0.000 2.625 329 S HA 0.543 5.013 4.470 0.000 0.000 0.271 329 S C -2.468 172.132 174.600 -0.000 0.000 1.161 329 S CA -1.206 56.992 58.200 -0.005 0.000 0.820 329 S CB 2.345 65.535 63.200 -0.017 0.000 1.137 329 S HN -0.207 nan 8.310 nan 0.000 0.470 330 P HA 0.024 nan 4.420 nan 0.000 0.215 330 P C 1.641 178.945 177.300 0.007 0.000 1.157 330 P CA 2.267 65.366 63.100 -0.003 0.000 0.868 330 P CB -0.279 31.414 31.700 -0.011 0.000 0.788 331 A N -0.161 122.661 122.820 0.004 0.000 1.902 331 A HA -0.071 4.249 4.320 0.000 0.000 0.217 331 A C 2.514 180.109 177.584 0.017 0.000 1.181 331 A CA 2.062 54.104 52.037 0.008 0.000 0.623 331 A CB -1.920 17.080 19.000 -0.001 0.000 0.818 331 A HN 0.275 nan 8.150 nan 0.000 0.443 332 G N -0.330 108.483 108.800 0.022 0.000 2.440 332 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 332 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 332 G C 1.382 176.305 174.900 0.038 0.000 1.154 332 G CA 1.058 46.180 45.100 0.037 0.000 0.767 332 G HN 0.661 nan 8.290 nan 0.000 0.552 333 E N 0.046 120.263 120.200 0.030 0.000 2.204 333 E HA -0.049 4.301 4.350 0.000 0.000 0.195 333 E C 2.657 179.277 176.600 0.033 0.000 0.990 333 E CA 0.465 56.881 56.400 0.027 0.000 0.821 333 E CB -0.039 29.672 29.700 0.017 0.000 0.750 333 E HN 0.348 nan 8.360 nan 0.000 0.477 334 R N 0.199 120.727 120.500 0.046 0.000 2.240 334 R HA 0.061 4.401 4.340 0.000 0.000 0.203 334 R C 2.182 178.565 176.300 0.138 0.000 1.011 334 R CA 0.361 56.509 56.100 0.080 0.000 1.007 334 R CB -0.012 30.342 30.300 0.091 0.000 0.911 334 R HN 0.223 nan 8.270 nan 0.000 0.468 335 L N 0.496 121.777 121.223 0.096 0.000 2.201 335 L HA -0.120 4.220 4.340 0.000 0.000 0.212 335 L C 2.298 179.240 176.870 0.120 0.000 1.105 335 L CA 0.761 55.672 54.840 0.120 0.000 0.775 335 L CB -0.503 41.581 42.059 0.041 0.000 0.913 335 L HN -0.032 nan 8.230 nan 0.000 0.440 336 V N 0.367 120.315 119.914 0.056 0.000 2.278 336 V HA -0.347 3.773 4.120 0.000 0.000 0.251 336 V C 2.521 178.598 176.094 -0.028 0.000 1.062 336 V CA 2.374 64.686 62.300 0.021 0.000 1.038 336 V CB -0.838 30.989 31.823 0.006 0.000 0.646 336 V HN 0.653 nan 8.190 nan 0.000 0.447 337 S N -1.242 114.378 115.700 -0.134 0.000 2.607 337 S HA 0.047 4.517 4.470 0.000 0.000 0.224 337 S C 1.171 175.524 174.600 -0.412 0.000 0.969 337 S CA 0.650 58.680 58.200 -0.284 0.000 0.927 337 S CB -0.459 62.483 63.200 -0.429 0.000 0.772 337 S HN 0.514 nan 8.310 nan 0.000 0.533 338 F N 1.787 121.712 119.950 -0.041 0.000 2.639 338 F HA 0.482 5.009 4.527 0.000 0.000 0.300 338 F C 1.788 177.662 175.800 0.123 0.000 1.109 338 F CA -0.402 57.570 58.000 -0.047 0.000 1.335 338 F CB 0.043 38.881 39.000 -0.270 0.000 1.014 338 F HN 0.332 nan 8.300 nan 0.000 0.537 339 G N -0.049 108.862 108.800 0.184 0.000 2.179 339 G HA2 -0.104 3.856 3.960 0.000 0.000 0.260 339 G HA3 -0.104 3.856 3.960 0.000 0.000 0.260 339 G C 1.321 176.288 174.900 0.112 0.000 0.977 339 G CA 0.119 45.308 45.100 0.148 0.000 0.641 339 G HN 1.174 nan 8.290 nan 0.000 0.533 340 G N -2.729 106.136 108.800 0.107 0.000 2.175 340 G HA2 0.089 4.049 3.960 0.000 0.000 0.244 340 G HA3 0.089 4.049 3.960 0.000 0.000 0.244 340 G C 0.389 175.318 174.900 0.049 0.000 0.982 340 G CA 1.030 46.173 45.100 0.072 0.000 0.641 340 G HN 2.081 nan 8.290 nan 0.000 0.527 341 V N 0.423 120.370 119.914 0.055 0.000 2.733 341 V HA 0.811 4.931 4.120 0.000 0.000 0.306 341 V C 0.117 176.192 176.094 -0.032 0.000 1.084 341 V CA -0.700 61.605 62.300 0.008 0.000 0.905 341 V CB 1.823 33.664 31.823 0.030 0.000 1.010 341 V HN 0.949 nan 8.190 nan 0.000 0.424 342 I N 0.696 121.164 120.570 -0.170 0.000 2.934 342 I HA 1.091 5.261 4.170 0.000 0.000 0.306 342 I C -0.319 175.713 176.117 -0.142 0.000 1.110 342 I CA -1.090 60.023 61.300 -0.313 0.000 1.019 342 I CB 2.417 39.770 38.000 -1.080 0.000 1.227 342 I HN 0.833 nan 8.210 nan 0.000 0.434 343 A N 4.498 127.313 122.820 -0.009 0.000 2.486 343 A HA 0.763 5.083 4.320 0.000 0.000 0.300 343 A C -1.375 176.273 177.584 0.106 0.000 1.048 343 A CA -0.558 51.498 52.037 0.031 0.000 0.696 343 A CB 1.655 20.667 19.000 0.021 0.000 1.278 343 A HN 0.538 nan 8.150 nan 0.000 0.405 344 L N 2.340 123.600 121.223 0.061 0.000 2.276 344 L HA 0.492 4.832 4.340 0.000 0.000 0.286 344 L C -0.073 176.787 176.870 -0.018 0.000 1.061 344 L CA -0.052 54.818 54.840 0.050 0.000 0.807 344 L CB 0.325 42.406 42.059 0.037 0.000 1.177 344 L HN 0.610 nan 8.230 nan 0.000 0.429 345 L N 3.407 124.599 121.223 -0.052 0.000 2.325 345 L HA 0.460 4.800 4.340 0.000 0.000 0.279 345 L C 1.411 178.170 176.870 -0.185 0.000 1.054 345 L CA -0.746 53.998 54.840 -0.160 0.000 0.804 345 L CB 1.082 43.020 42.059 -0.202 0.000 1.200 345 L HN 0.548 nan 8.230 nan 0.000 0.436 346 R N 1.307 121.630 120.500 -0.296 0.000 2.152 346 R HA -0.072 4.268 4.340 0.000 0.000 0.232 346 R C -0.664 175.602 176.300 -0.057 0.000 1.117 346 R CA 1.355 57.353 56.100 -0.169 0.000 0.981 346 R CB -0.136 30.094 30.300 -0.117 0.000 0.870 346 R HN 0.627 nan 8.270 nan 0.000 0.451 347 Y N -4.431 115.876 120.300 0.012 0.000 2.609 347 Y HA 0.520 5.070 4.550 0.000 0.000 0.336 347 Y C -2.994 172.911 175.900 0.009 0.000 1.129 347 Y CA -3.826 54.279 58.100 0.009 0.000 1.040 347 Y CB 0.524 38.989 38.460 0.007 0.000 1.310 347 Y HN -0.307 nan 8.280 nan 0.000 0.460 348 P HA 0.147 nan 4.420 nan 0.000 0.265 348 P C -1.013 176.405 177.300 0.196 0.000 1.193 348 P CA -0.027 63.155 63.100 0.136 0.000 0.765 348 P CB 0.826 32.584 31.700 0.098 0.000 0.823 349 V N 6.057 126.038 119.914 0.113 0.000 2.488 349 V HA 0.292 4.412 4.120 0.000 0.000 0.293 349 V C -2.276 173.853 176.094 0.058 0.000 1.027 349 V CA -1.953 60.414 62.300 0.111 0.000 0.862 349 V CB 1.821 33.700 31.823 0.093 0.000 1.008 349 V HN 0.456 nan 8.190 nan 0.000 0.428 350 P HA 0.288 nan 4.420 nan 0.000 0.272 350 P C 0.896 178.208 177.300 0.020 0.000 1.223 350 P CA 0.242 63.359 63.100 0.029 0.000 0.784 350 P CB 0.806 32.522 31.700 0.026 0.000 0.923 351 Q N 1.621 121.428 119.800 0.011 0.000 2.170 351 Q HA -0.166 4.174 4.340 0.000 0.000 0.203 351 Q C 2.217 178.218 176.000 0.002 0.000 0.976 351 Q CA 2.455 58.258 55.803 0.001 0.000 0.858 351 Q CB -1.984 26.752 28.738 -0.003 0.000 0.907 351 Q HN 0.640 nan 8.270 nan 0.000 0.433 352 E N 0.483 120.687 120.200 0.006 0.000 2.085 352 E HA 0.066 4.416 4.350 0.000 0.000 0.194 352 E C 2.392 178.996 176.600 0.008 0.000 0.994 352 E CA 1.996 58.400 56.400 0.006 0.000 0.801 352 E CB -0.995 28.709 29.700 0.007 0.000 0.743 352 E HN 1.165 nan 8.360 nan 0.000 0.453 353 A N 0.169 122.997 122.820 0.014 0.000 2.172 353 A HA 0.015 4.335 4.320 0.000 0.000 0.216 353 A C 2.084 179.678 177.584 0.017 0.000 1.154 353 A CA 1.008 53.057 52.037 0.019 0.000 0.701 353 A CB -0.174 18.846 19.000 0.033 0.000 0.789 353 A HN 0.364 nan 8.150 nan 0.000 0.465 354 R N -0.169 120.337 120.500 0.009 0.000 3.192 354 R HA 0.231 4.571 4.340 0.000 0.000 0.264 354 R C 0.072 176.369 176.300 -0.004 0.000 1.464 354 R CA -0.044 56.056 56.100 0.001 0.000 1.309 354 R CB -0.026 30.268 30.300 -0.011 0.000 1.283 354 R HN 0.415 nan 8.270 nan 0.000 0.584 355 R N 0.000 120.500 120.500 0.001 0.000 2.786 355 R HA 0.000 4.340 4.340 0.000 0.000 0.208 355 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 355 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 355 R HN 0.000 nan 8.270 nan 0.000 0.535