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 2cjd_1_A DATA FIRST_RESID 15 DATA SEQUENCE TTPDRVHEVL GRSMLVDGLD IVLDLTRSGG SYLVDAITGR RYLDMFTFVA DATA SEQUENCE SSALGMNPPA LVDDREFHAE LMQAALNKPS NSDVYSVAMA RFVETFARVL DATA SEQUENCE GDPALPHLFF VEGGALAVEN ALKAAFDWKS RHNQAHGIDP ALGTQVLHLR DATA SEQUENCE GAFHGRSGYT LSLTNTKPTI TARFPKFDWP RIDAPYMRPG LDEPAMAALE DATA SEQUENCE AEALRQARAA FETRPHDIAC FVAEPIQGEG GDRHFRPEFF AAMRELCDEF DATA SEQUENCE DALLIFDEVQ TGCGLTGTAW AYQQLDVAPD IVAFGKKTQV CGVMAGRRVD DATA SEQUENCE EVADNVFAVP SRLNSTWGGN LTDMVRARRI LEVIEAEGLF ERAVQHGKYL DATA SEQUENCE RARLDELAAD FPAVVLDPRG RGLMCAFSLP TTADRDELIR QLWQRAVIVL DATA SEQUENCE PAGADTVRFR PPLTVSTAEI DAAIAAVRSA LPVVT 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.709 174.700 0.016 0.000 1.109 15 T CA 0.000 62.107 62.100 0.012 0.000 1.349 15 T CB 0.000 68.873 68.868 0.009 0.000 0.612 16 T N 1.823 116.391 114.554 0.023 0.000 2.912 16 T HA 0.631 4.982 4.350 0.002 0.000 0.288 16 T C -1.783 172.941 174.700 0.040 0.000 1.030 16 T CA -2.054 60.063 62.100 0.028 0.000 1.020 16 T CB 1.311 70.194 68.868 0.026 0.000 1.056 16 T HN 0.328 nan 8.240 nan 0.000 0.480 17 P HA -0.153 nan 4.420 nan 0.000 0.216 17 P C 1.135 178.486 177.300 0.085 0.000 1.154 17 P CA 1.165 64.303 63.100 0.064 0.000 0.865 17 P CB 0.078 31.815 31.700 0.063 0.000 0.789 18 D N -1.139 119.301 120.400 0.067 0.000 2.348 18 D HA -0.141 4.501 4.640 0.002 0.000 0.216 18 D C 1.404 177.747 176.300 0.071 0.000 0.970 18 D CA 0.727 54.767 54.000 0.065 0.000 0.889 18 D CB -0.337 40.488 40.800 0.043 0.000 0.912 18 D HN 0.238 nan 8.370 nan 0.000 0.524 19 R N 0.195 120.735 120.500 0.067 0.000 2.362 19 R HA 0.173 4.514 4.340 0.002 0.000 0.227 19 R C 2.089 178.432 176.300 0.071 0.000 0.905 19 R CA -0.116 56.021 56.100 0.062 0.000 1.067 19 R CB 0.586 30.910 30.300 0.039 0.000 1.078 19 R HN 0.040 nan 8.270 nan 0.000 0.516 20 V N 0.875 120.841 119.914 0.086 0.000 2.255 20 V HA -0.303 3.818 4.120 0.002 0.000 0.247 20 V C 2.158 178.261 176.094 0.015 0.000 1.051 20 V CA 1.819 64.141 62.300 0.036 0.000 1.018 20 V CB -0.567 31.265 31.823 0.016 0.000 0.641 20 V HN 0.439 nan 8.190 nan 0.000 0.445 21 H N -0.532 118.544 119.070 0.011 0.000 2.389 21 H HA -0.163 4.394 4.556 0.002 0.000 0.299 21 H C 2.425 177.755 175.328 0.004 0.000 1.081 21 H CA 1.718 57.770 56.048 0.006 0.000 1.345 21 H CB 0.123 29.889 29.762 0.007 0.000 1.393 21 H HN 0.593 nan 8.280 nan 0.000 0.520 22 E N 1.198 121.475 120.200 0.129 0.000 2.051 22 E HA -0.127 4.224 4.350 0.002 0.000 0.192 22 E C 2.325 178.949 176.600 0.039 0.000 0.991 22 E CA 1.206 57.647 56.400 0.069 0.000 0.799 22 E CB 0.131 29.863 29.700 0.054 0.000 0.748 22 E HN 0.107 nan 8.360 nan 0.000 0.449 23 V N 1.515 121.447 119.914 0.029 0.000 2.295 23 V HA -0.271 3.850 4.120 0.002 0.000 0.246 23 V C 2.555 178.649 176.094 -0.000 0.000 1.049 23 V CA 1.662 63.968 62.300 0.011 0.000 1.024 23 V CB -0.482 31.344 31.823 0.005 0.000 0.648 23 V HN 0.338 nan 8.190 nan 0.000 0.447 24 L N 0.414 121.629 121.223 -0.014 0.000 2.093 24 L HA -0.060 4.282 4.340 0.002 0.000 0.208 24 L C 2.609 179.473 176.870 -0.011 0.000 1.085 24 L CA 1.616 56.439 54.840 -0.028 0.000 0.755 24 L CB -1.119 40.897 42.059 -0.070 0.000 0.904 24 L HN 0.480 nan 8.230 nan 0.000 0.435 25 G N -0.202 108.602 108.800 0.006 0.000 2.470 25 G HA2 -0.207 3.754 3.960 0.002 0.000 0.220 25 G HA3 -0.207 3.754 3.960 0.002 0.000 0.220 25 G C 1.703 176.610 174.900 0.012 0.000 1.121 25 G CA 0.204 45.314 45.100 0.016 0.000 0.766 25 G HN 0.321 nan 8.290 nan 0.000 0.553 26 R N 0.138 120.644 120.500 0.010 0.000 2.189 26 R HA 0.052 4.393 4.340 0.002 0.000 0.223 26 R C 2.060 178.362 176.300 0.004 0.000 1.092 26 R CA 1.321 57.425 56.100 0.007 0.000 0.989 26 R CB 0.042 30.346 30.300 0.007 0.000 0.876 26 R HN 0.306 nan 8.270 nan 0.000 0.457 27 S N -0.814 114.887 115.700 0.001 0.000 2.554 27 S HA 0.284 4.755 4.470 0.002 0.000 0.227 27 S C 0.368 174.968 174.600 -0.000 0.000 1.050 27 S CA 0.031 58.231 58.200 -0.000 0.000 0.927 27 S CB 0.675 63.873 63.200 -0.003 0.000 0.859 27 S HN 0.074 nan 8.310 nan 0.000 0.494 28 M N 0.697 120.296 119.600 -0.002 0.000 2.618 28 M HA 0.502 4.983 4.480 0.002 0.000 0.281 28 M C -1.639 174.662 176.300 0.001 0.000 1.267 28 M CA -0.925 54.374 55.300 -0.002 0.000 0.845 28 M CB 1.324 33.918 32.600 -0.009 0.000 1.732 28 M HN -0.093 nan 8.290 nan 0.000 0.461 29 L N 2.055 123.280 121.223 0.003 0.000 2.433 29 L HA 0.251 4.593 4.340 0.002 0.000 0.275 29 L C -0.345 176.526 176.870 0.001 0.000 1.128 29 L CA 0.159 55.002 54.840 0.005 0.000 0.875 29 L CB 0.900 42.964 42.059 0.008 0.000 1.171 29 L HN 0.547 nan 8.230 nan 0.000 0.463 30 V N 6.080 125.998 119.914 0.007 0.000 2.184 30 V HA 0.321 4.442 4.120 0.002 0.000 0.262 30 V C 0.236 176.340 176.094 0.016 0.000 1.209 30 V CA -0.212 62.093 62.300 0.009 0.000 1.070 30 V CB 0.209 32.049 31.823 0.028 0.000 1.244 30 V HN 0.937 nan 8.190 nan 0.000 0.477 31 D N 3.143 123.540 120.400 -0.006 0.000 2.402 31 D HA 0.226 4.868 4.640 0.002 0.000 0.216 31 D C 0.866 177.137 176.300 -0.049 0.000 1.128 31 D CA 0.383 54.369 54.000 -0.023 0.000 0.833 31 D CB 0.711 41.497 40.800 -0.023 0.000 0.971 31 D HN 0.538 nan 8.370 nan 0.000 0.503 32 G N 0.498 109.275 108.800 -0.038 0.000 2.504 32 G HA2 0.449 4.410 3.960 0.002 0.000 0.257 32 G HA3 0.449 4.410 3.960 0.002 0.000 0.257 32 G C 0.122 174.962 174.900 -0.100 0.000 1.451 32 G CA -0.765 44.295 45.100 -0.067 0.000 1.059 32 G HN 0.164 nan 8.290 nan 0.000 0.550 33 L N 0.052 121.199 121.223 -0.127 0.000 2.452 33 L HA 0.128 4.469 4.340 0.002 0.000 0.267 33 L C 0.741 177.616 176.870 0.009 0.000 1.188 33 L CA -0.489 54.219 54.840 -0.220 0.000 0.821 33 L CB 0.675 42.591 42.059 -0.238 0.000 1.102 33 L HN 0.427 nan 8.230 nan 0.000 0.470 34 D N 1.303 121.682 120.400 -0.035 0.000 2.363 34 D HA 0.081 4.722 4.640 0.002 0.000 0.226 34 D C 0.524 176.907 176.300 0.139 0.000 1.020 34 D CA 0.472 54.497 54.000 0.042 0.000 0.892 34 D CB -0.084 40.757 40.800 0.069 0.000 0.900 34 D HN 0.400 nan 8.370 nan 0.000 0.531 35 I N -2.551 118.150 120.570 0.218 0.000 2.918 35 I HA 0.433 4.604 4.170 0.002 0.000 0.316 35 I C -0.199 176.061 176.117 0.238 0.000 1.001 35 I CA -0.983 60.429 61.300 0.187 0.000 1.142 35 I CB 1.533 39.571 38.000 0.065 0.000 1.356 35 I HN -0.426 nan 8.210 nan 0.000 0.524 36 V N 4.160 124.182 119.914 0.180 0.000 2.444 36 V HA 0.298 4.419 4.120 0.002 0.000 0.294 36 V C 0.040 176.204 176.094 0.116 0.000 1.022 36 V CA -0.670 61.717 62.300 0.146 0.000 0.850 36 V CB 1.552 33.459 31.823 0.139 0.000 0.992 36 V HN 0.578 nan 8.190 nan 0.000 0.426 37 L N 4.195 125.484 121.223 0.111 0.000 2.477 37 L HA 0.228 4.569 4.340 0.002 0.000 0.272 37 L C 0.257 177.191 176.870 0.106 0.000 1.157 37 L CA 0.249 55.167 54.840 0.130 0.000 0.889 37 L CB 0.697 42.852 42.059 0.161 0.000 1.158 37 L HN 0.712 nan 8.230 nan 0.000 0.473 38 D N 5.265 125.732 120.400 0.112 0.000 2.352 38 D HA 0.078 4.720 4.640 0.002 0.000 0.245 38 D C 1.079 177.437 176.300 0.097 0.000 1.224 38 D CA -0.172 53.883 54.000 0.092 0.000 0.879 38 D CB 1.159 42.012 40.800 0.089 0.000 1.057 38 D HN 0.539 nan 8.370 nan 0.000 0.491 39 L N 2.632 123.900 121.223 0.075 0.000 2.291 39 L HA -0.096 4.245 4.340 0.002 0.000 0.214 39 L C 2.152 179.062 176.870 0.067 0.000 1.120 39 L CA 0.746 55.629 54.840 0.073 0.000 0.799 39 L CB -0.061 42.022 42.059 0.039 0.000 0.925 39 L HN 0.367 nan 8.230 nan 0.000 0.446 40 T N -1.073 113.514 114.554 0.056 0.000 2.983 40 T HA 0.011 4.362 4.350 0.002 0.000 0.250 40 T C 1.988 176.723 174.700 0.058 0.000 1.037 40 T CA 0.670 62.799 62.100 0.048 0.000 1.142 40 T CB 0.163 69.050 68.868 0.033 0.000 0.876 40 T HN 0.235 nan 8.240 nan 0.000 0.455 41 R N 1.029 121.568 120.500 0.064 0.000 2.210 41 R HA 0.257 4.598 4.340 0.002 0.000 0.203 41 R C 0.780 177.130 176.300 0.083 0.000 1.010 41 R CA 0.001 56.139 56.100 0.063 0.000 1.008 41 R CB 0.162 30.494 30.300 0.055 0.000 0.923 41 R HN 0.128 nan 8.270 nan 0.000 0.469 42 S N 0.150 115.913 115.700 0.106 0.000 2.568 42 S HA 0.380 4.851 4.470 0.002 0.000 0.282 42 S C 0.329 175.002 174.600 0.122 0.000 1.338 42 S CA 0.097 58.377 58.200 0.133 0.000 1.045 42 S CB 1.452 64.745 63.200 0.156 0.000 0.873 42 S HN 0.470 nan 8.310 nan 0.000 0.516 43 G N -0.144 108.740 108.800 0.140 0.000 2.716 43 G HA2 0.572 4.533 3.960 0.002 0.000 0.299 43 G HA3 0.572 4.533 3.960 0.002 0.000 0.299 43 G C 0.014 174.998 174.900 0.141 0.000 1.450 43 G CA 0.209 45.380 45.100 0.119 0.000 0.968 43 G HN 1.157 nan 8.290 nan 0.000 0.566 44 G N 1.310 110.165 108.800 0.093 0.000 2.591 44 G HA2 -0.183 3.779 3.960 0.002 0.000 0.298 44 G HA3 -0.183 3.779 3.960 0.002 0.000 0.298 44 G C 1.386 176.304 174.900 0.031 0.000 1.195 44 G CA 0.906 46.050 45.100 0.074 0.000 0.989 44 G HN 1.784 nan 8.290 nan 0.000 0.551 45 S N 0.684 116.387 115.700 0.005 0.000 2.671 45 S HA 0.417 4.888 4.470 0.002 0.000 0.220 45 S C -0.362 173.944 174.600 -0.491 0.000 0.951 45 S CA 0.424 58.486 58.200 -0.231 0.000 0.932 45 S CB -0.038 62.984 63.200 -0.297 0.000 0.777 45 S HN 0.413 nan 8.310 nan 0.000 0.508 46 Y N 0.918 121.237 120.300 0.031 0.000 2.350 46 Y HA 0.495 5.046 4.550 0.002 0.000 0.338 46 Y C -0.106 175.837 175.900 0.073 0.000 0.961 46 Y CA -0.991 57.142 58.100 0.055 0.000 1.100 46 Y CB 0.913 39.399 38.460 0.043 0.000 1.179 46 Y HN -0.018 nan 8.280 nan 0.000 0.454 47 L N 4.188 125.539 121.223 0.212 0.000 2.334 47 L HA 0.590 4.932 4.340 0.002 0.000 0.277 47 L C -0.568 176.456 176.870 0.258 0.000 1.075 47 L CA -1.107 53.856 54.840 0.205 0.000 0.804 47 L CB 1.101 43.260 42.059 0.167 0.000 1.174 47 L HN 0.311 nan 8.230 nan 0.000 0.438 48 V N 1.257 121.294 119.914 0.206 0.000 2.398 48 V HA 0.141 4.262 4.120 0.002 0.000 0.286 48 V C -0.273 175.926 176.094 0.176 0.000 1.026 48 V CA -0.601 61.813 62.300 0.189 0.000 0.868 48 V CB 1.786 33.688 31.823 0.132 0.000 0.982 48 V HN 0.665 nan 8.190 nan 0.000 0.443 49 D N 4.040 124.562 120.400 0.204 0.000 2.338 49 D HA 0.344 4.986 4.640 0.002 0.000 0.255 49 D C 1.022 177.397 176.300 0.125 0.000 1.237 49 D CA 0.271 54.368 54.000 0.163 0.000 0.883 49 D CB 1.805 42.734 40.800 0.215 0.000 1.087 49 D HN 0.598 nan 8.370 nan 0.000 0.485 50 A N 4.361 127.245 122.820 0.107 0.000 2.019 50 A HA -0.136 4.185 4.320 0.002 0.000 0.219 50 A C 2.152 179.783 177.584 0.077 0.000 1.164 50 A CA 0.917 53.005 52.037 0.085 0.000 0.644 50 A CB -0.481 18.565 19.000 0.077 0.000 0.805 50 A HN 0.767 nan 8.150 nan 0.000 0.449 51 I N -0.297 120.325 120.570 0.087 0.000 2.193 51 I HA -0.186 3.986 4.170 0.002 0.000 0.240 51 I C 2.717 178.871 176.117 0.062 0.000 1.084 51 I CA 1.896 63.239 61.300 0.073 0.000 1.365 51 I CB -0.300 37.746 38.000 0.077 0.000 1.064 51 I HN 0.518 nan 8.210 nan 0.000 0.410 52 T N -2.993 111.605 114.554 0.074 0.000 3.023 52 T HA 0.303 4.655 4.350 0.002 0.000 0.249 52 T C 1.624 176.352 174.700 0.046 0.000 1.050 52 T CA 0.506 62.639 62.100 0.056 0.000 1.088 52 T CB 0.668 69.571 68.868 0.059 0.000 0.946 52 T HN 0.492 nan 8.240 nan 0.000 0.480 53 G N 1.778 110.615 108.800 0.063 0.000 2.179 53 G HA2 -0.298 3.663 3.960 0.002 0.000 0.260 53 G HA3 -0.298 3.663 3.960 0.002 0.000 0.260 53 G C 0.182 175.107 174.900 0.041 0.000 0.977 53 G CA 0.166 45.296 45.100 0.050 0.000 0.641 53 G HN 0.857 nan 8.290 nan 0.000 0.533 54 R N 0.436 120.966 120.500 0.050 0.000 2.537 54 R HA 0.584 4.926 4.340 0.002 0.000 0.280 54 R C 0.540 176.860 176.300 0.033 0.000 1.058 54 R CA -0.098 55.989 56.100 -0.021 0.000 1.057 54 R CB 0.246 30.487 30.300 -0.099 0.000 0.973 54 R HN 0.303 nan 8.270 nan 0.000 0.438 55 R N 2.858 123.325 120.500 -0.055 0.000 2.349 55 R HA 0.281 4.623 4.340 0.002 0.000 0.299 55 R C -1.164 175.118 176.300 -0.029 0.000 1.027 55 R CA -0.121 56.015 56.100 0.060 0.000 0.958 55 R CB 0.874 31.180 30.300 0.009 0.000 1.047 55 R HN 0.555 nan 8.270 nan 0.000 0.468 56 Y N 2.854 123.221 120.300 0.112 0.000 2.341 56 Y HA 0.280 4.831 4.550 0.002 0.000 0.338 56 Y C -0.434 175.491 175.900 0.041 0.000 0.965 56 Y CA -1.050 57.065 58.100 0.025 0.000 1.108 56 Y CB 1.507 39.929 38.460 -0.063 0.000 1.180 56 Y HN 0.375 nan 8.280 nan 0.000 0.458 57 L N 4.508 125.777 121.223 0.077 0.000 2.418 57 L HA 0.201 4.542 4.340 0.002 0.000 0.274 57 L C -0.321 176.510 176.870 -0.064 0.000 1.135 57 L CA 0.154 54.887 54.840 -0.178 0.000 0.870 57 L CB 0.144 42.143 42.059 -0.099 0.000 1.154 57 L HN 0.568 nan 8.230 nan 0.000 0.462 58 D N 5.876 126.187 120.400 -0.148 0.000 2.443 58 D HA 0.217 4.858 4.640 0.002 0.000 0.221 58 D C -0.064 176.235 176.300 -0.000 0.000 1.097 58 D CA -0.169 53.821 54.000 -0.016 0.000 0.865 58 D CB 0.612 41.370 40.800 -0.070 0.000 1.034 58 D HN 0.487 nan 8.370 nan 0.000 0.511 59 M N 4.282 123.933 119.600 0.086 0.000 2.756 59 M HA 0.157 4.639 4.480 0.002 0.000 0.320 59 M C 0.064 176.441 176.300 0.129 0.000 1.245 59 M CA -0.221 55.147 55.300 0.113 0.000 0.972 59 M CB -0.327 32.385 32.600 0.186 0.000 1.327 59 M HN 0.473 nan 8.290 nan 0.000 0.505 60 F N 0.187 120.094 119.950 -0.072 0.000 2.658 60 F HA 0.114 4.642 4.527 0.002 0.000 0.293 60 F C 1.086 176.825 175.800 -0.102 0.000 0.986 60 F CA 1.058 59.011 58.000 -0.078 0.000 1.182 60 F CB 0.252 39.215 39.000 -0.063 0.000 0.965 60 F HN 0.291 nan 8.300 nan 0.000 0.659 61 T N 0.157 114.323 114.554 -0.646 0.000 3.795 61 T HA -0.322 4.029 4.350 0.002 0.000 0.370 61 T C -0.139 174.066 174.700 -0.826 0.000 0.761 61 T CA 0.589 62.264 62.100 -0.707 0.000 1.923 61 T CB -3.485 65.196 68.868 -0.312 0.000 1.795 61 T HN 0.831 nan 8.240 nan 0.000 0.762 62 F N -1.862 117.319 119.950 -1.282 0.000 2.969 62 F HA -0.163 4.365 4.527 0.002 0.000 0.273 62 F C 1.190 176.640 175.800 -0.583 0.000 0.986 62 F CA 0.208 57.687 58.000 -0.868 0.000 0.926 62 F CB -2.611 36.206 39.000 -0.305 0.000 0.887 62 F HN 1.134 nan 8.300 nan 0.000 0.816 63 V N -1.945 117.597 119.914 -0.620 0.000 5.949 63 V HA -0.069 4.052 4.120 0.002 0.000 0.287 63 V C 1.318 177.345 176.094 -0.112 0.000 0.603 63 V CA 0.986 63.188 62.300 -0.163 0.000 0.608 63 V CB -2.273 29.558 31.823 0.013 0.000 0.259 63 V HN 2.378 nan 8.190 nan 0.000 0.742 64 A N -0.086 122.638 122.820 -0.160 0.000 2.847 64 A HA -0.221 4.101 4.320 0.002 0.000 0.263 64 A C 1.670 179.243 177.584 -0.018 0.000 1.391 64 A CA 1.991 53.985 52.037 -0.071 0.000 0.866 64 A CB -1.957 17.032 19.000 -0.017 0.000 1.057 64 A HN 2.355 nan 8.150 nan 0.000 0.673 65 S N -1.446 114.248 115.700 -0.009 0.000 2.540 65 S HA 0.499 4.971 4.470 0.002 0.000 0.218 65 S C 0.544 175.195 174.600 0.086 0.000 0.977 65 S CA 0.861 59.099 58.200 0.063 0.000 0.918 65 S CB 0.124 63.375 63.200 0.085 0.000 0.806 65 S HN 1.663 nan 8.310 nan 0.000 0.496 66 S N 0.563 116.292 115.700 0.048 0.000 2.474 66 S HA 0.735 5.206 4.470 0.002 0.000 0.321 66 S C 0.875 175.476 174.600 0.003 0.000 1.080 66 S CA -0.202 58.032 58.200 0.057 0.000 1.106 66 S CB 1.061 64.288 63.200 0.045 0.000 0.984 66 S HN 0.482 nan 8.310 nan 0.000 0.464 67 A N 4.906 127.736 122.820 0.016 0.000 1.898 67 A HA 0.233 4.554 4.320 0.002 0.000 0.214 67 A C 1.471 179.040 177.584 -0.026 0.000 1.183 67 A CA 0.773 52.807 52.037 -0.005 0.000 0.622 67 A CB -0.328 18.672 19.000 -0.001 0.000 0.824 67 A HN 0.795 nan 8.150 nan 0.000 0.444 68 L N -1.178 120.033 121.223 -0.020 0.000 2.640 68 L HA 0.377 4.718 4.340 0.002 0.000 0.230 68 L C 1.210 178.066 176.870 -0.023 0.000 1.123 68 L CA 0.150 54.971 54.840 -0.032 0.000 0.900 68 L CB -0.604 41.435 42.059 -0.034 0.000 1.146 68 L HN 0.592 nan 8.230 nan 0.000 0.484 69 G N 0.691 109.476 108.800 -0.025 0.000 2.693 69 G HA2 -0.218 3.744 3.960 0.002 0.000 0.226 69 G HA3 -0.218 3.744 3.960 0.002 0.000 0.226 69 G C -0.283 174.635 174.900 0.030 0.000 1.354 69 G CA -0.777 44.303 45.100 -0.032 0.000 0.873 69 G HN -0.092 nan 8.290 nan 0.000 0.562 70 M N 1.539 121.166 119.600 0.045 0.000 2.217 70 M HA 0.231 4.712 4.480 0.002 0.000 0.354 70 M C 1.009 177.365 176.300 0.094 0.000 1.225 70 M CA -0.127 55.239 55.300 0.110 0.000 1.137 70 M CB 0.257 32.936 32.600 0.131 0.000 1.576 70 M HN 0.735 nan 8.290 nan 0.000 0.461 71 N N 1.149 119.911 118.700 0.104 0.000 2.688 71 N HA -0.129 4.612 4.740 0.002 0.000 0.258 71 N C -2.444 173.111 175.510 0.075 0.000 1.016 71 N CA 0.305 53.411 53.050 0.093 0.000 0.747 71 N CB -1.449 37.091 38.487 0.089 0.000 0.895 71 N HN 0.396 nan 8.380 nan 0.000 0.543 72 P HA 0.105 nan 4.420 nan 0.000 0.268 72 P C -1.653 175.665 177.300 0.030 0.000 1.204 72 P CA -1.056 62.061 63.100 0.029 0.000 0.768 72 P CB 0.476 32.176 31.700 -0.001 0.000 0.842 73 P HA -0.213 nan 4.420 nan 0.000 0.216 73 P C 1.429 178.730 177.300 0.002 0.000 1.150 73 P CA 2.060 65.172 63.100 0.020 0.000 0.843 73 P CB -0.386 31.317 31.700 0.006 0.000 0.787 74 A N -1.750 121.050 122.820 -0.034 0.000 2.070 74 A HA -0.147 4.174 4.320 0.002 0.000 0.220 74 A C 1.961 179.486 177.584 -0.097 0.000 1.159 74 A CA 1.455 53.447 52.037 -0.074 0.000 0.656 74 A CB -1.294 17.641 19.000 -0.108 0.000 0.800 74 A HN 0.113 nan 8.150 nan 0.000 0.453 75 L N -1.537 119.655 121.223 -0.051 0.000 2.200 75 L HA 0.039 4.380 4.340 0.002 0.000 0.200 75 L C 2.454 179.501 176.870 0.296 0.000 1.072 75 L CA 0.986 55.838 54.840 0.020 0.000 0.787 75 L CB -0.505 41.580 42.059 0.043 0.000 0.957 75 L HN 0.141 nan 8.230 nan 0.000 0.459 76 V N -0.243 119.815 119.914 0.239 0.000 2.427 76 V HA -0.224 3.898 4.120 0.002 0.000 0.248 76 V C 1.474 177.730 176.094 0.270 0.000 1.051 76 V CA 1.639 64.132 62.300 0.321 0.000 1.048 76 V CB -0.494 31.432 31.823 0.172 0.000 0.666 76 V HN 0.410 nan 8.190 nan 0.000 0.456 77 D N -0.735 119.718 120.400 0.088 0.000 2.340 77 D HA 0.026 4.668 4.640 0.002 0.000 0.220 77 D C 0.689 176.917 176.300 -0.120 0.000 1.039 77 D CA 0.324 54.326 54.000 0.003 0.000 0.866 77 D CB -0.036 40.765 40.800 0.002 0.000 0.913 77 D HN 0.355 nan 8.370 nan 0.000 0.523 78 D N 0.333 120.613 120.400 -0.199 0.000 2.441 78 D HA 0.146 4.787 4.640 0.002 0.000 0.221 78 D C 1.439 177.488 176.300 -0.419 0.000 1.156 78 D CA -0.115 53.771 54.000 -0.190 0.000 0.896 78 D CB 0.495 41.267 40.800 -0.046 0.000 1.028 78 D HN -0.015 nan 8.370 nan 0.000 0.509 79 R N 3.548 123.872 120.500 -0.293 0.000 2.148 79 R HA -0.113 4.228 4.340 0.002 0.000 0.227 79 R C 1.744 177.989 176.300 -0.092 0.000 1.103 79 R CA 1.508 57.466 56.100 -0.236 0.000 0.983 79 R CB -0.923 29.332 30.300 -0.075 0.000 0.874 79 R HN 0.621 nan 8.270 nan 0.000 0.451 80 E N -0.681 119.496 120.200 -0.038 0.000 2.072 80 E HA -0.097 4.254 4.350 0.002 0.000 0.190 80 E C 1.893 178.535 176.600 0.070 0.000 0.982 80 E CA 1.114 57.528 56.400 0.022 0.000 0.803 80 E CB -0.263 29.457 29.700 0.034 0.000 0.755 80 E HN 0.579 nan 8.360 nan 0.000 0.453 81 F N 2.328 122.246 119.950 -0.053 0.000 2.134 81 F HA -0.193 4.335 4.527 0.002 0.000 0.299 81 F C 2.172 178.035 175.800 0.106 0.000 1.097 81 F CA 1.581 59.586 58.000 0.008 0.000 1.264 81 F CB -0.270 38.728 39.000 -0.004 0.000 1.001 81 F HN -0.013 nan 8.300 nan 0.000 0.479 82 H N 0.331 119.308 119.070 -0.155 0.000 2.321 82 H HA -0.157 4.401 4.556 0.002 0.000 0.295 82 H C 2.425 177.613 175.328 -0.234 0.000 1.102 82 H CA 1.393 57.303 56.048 -0.230 0.000 1.266 82 H CB -1.289 28.432 29.762 -0.068 0.000 1.363 82 H HN 0.375 nan 8.280 nan 0.000 0.492 83 A N 0.900 123.718 122.820 -0.004 0.000 1.933 83 A HA -0.178 4.143 4.320 0.002 0.000 0.218 83 A C 2.314 179.846 177.584 -0.087 0.000 1.175 83 A CA 1.732 53.747 52.037 -0.037 0.000 0.628 83 A CB -0.325 18.671 19.000 -0.007 0.000 0.814 83 A HN 0.537 nan 8.150 nan 0.000 0.444 84 E N -0.749 119.380 120.200 -0.119 0.000 2.047 84 E HA -0.150 4.201 4.350 0.002 0.000 0.191 84 E C 1.945 178.423 176.600 -0.203 0.000 0.987 84 E CA 1.102 57.433 56.400 -0.115 0.000 0.799 84 E CB -0.256 29.422 29.700 -0.036 0.000 0.752 84 E HN 0.468 nan 8.360 nan 0.000 0.449 85 L N 0.700 121.669 121.223 -0.424 0.000 2.017 85 L HA -0.177 4.165 4.340 0.002 0.000 0.208 85 L C 2.386 179.114 176.870 -0.237 0.000 1.073 85 L CA 1.669 56.255 54.840 -0.422 0.000 0.745 85 L CB -0.363 41.267 42.059 -0.715 0.000 0.894 85 L HN 0.155 nan 8.230 nan 0.000 0.432 86 M N -0.727 118.751 119.600 -0.203 0.000 2.080 86 M HA -0.258 4.223 4.480 0.002 0.000 0.260 86 M C 2.237 178.477 176.300 -0.099 0.000 1.068 86 M CA 1.820 57.040 55.300 -0.134 0.000 1.109 86 M CB -0.443 32.093 32.600 -0.107 0.000 1.342 86 M HN 0.366 nan 8.290 nan 0.000 0.405 87 Q N -0.693 119.054 119.800 -0.088 0.000 2.096 87 Q HA -0.171 4.170 4.340 0.002 0.000 0.204 87 Q C 2.081 178.043 176.000 -0.063 0.000 0.982 87 Q CA 1.849 57.616 55.803 -0.061 0.000 0.850 87 Q CB -0.408 28.303 28.738 -0.045 0.000 0.901 87 Q HN 0.724 nan 8.270 nan 0.000 0.422 88 A N 0.606 123.377 122.820 -0.081 0.000 1.929 88 A HA 0.017 4.339 4.320 0.002 0.000 0.216 88 A C 2.202 179.730 177.584 -0.093 0.000 1.176 88 A CA 1.295 53.284 52.037 -0.079 0.000 0.628 88 A CB -0.525 18.424 19.000 -0.086 0.000 0.816 88 A HN 0.379 nan 8.150 nan 0.000 0.444 89 A N -0.512 122.245 122.820 -0.105 0.000 2.066 89 A HA 0.138 4.459 4.320 0.002 0.000 0.218 89 A C 2.036 179.564 177.584 -0.093 0.000 1.157 89 A CA 1.011 52.983 52.037 -0.108 0.000 0.670 89 A CB -0.473 18.459 19.000 -0.114 0.000 0.804 89 A HN 0.446 nan 8.150 nan 0.000 0.453 90 L N -0.364 120.813 121.223 -0.077 0.000 2.141 90 L HA -0.064 4.277 4.340 0.002 0.000 0.209 90 L C 0.590 177.427 176.870 -0.054 0.000 1.094 90 L CA 0.633 55.436 54.840 -0.061 0.000 0.763 90 L CB -0.256 41.774 42.059 -0.048 0.000 0.908 90 L HN 0.420 nan 8.230 nan 0.000 0.437 91 N N -0.730 117.936 118.700 -0.056 0.000 2.701 91 N HA 0.286 5.027 4.740 0.002 0.000 0.290 91 N C -0.820 174.646 175.510 -0.072 0.000 1.338 91 N CA -0.581 52.443 53.050 -0.044 0.000 0.799 91 N CB 1.819 40.294 38.487 -0.020 0.000 1.491 91 N HN -0.165 nan 8.380 nan 0.000 0.540 92 K N 1.254 121.622 120.400 -0.053 0.000 2.756 92 K HA 0.365 4.687 4.320 0.002 0.000 0.218 92 K C -2.720 173.902 176.600 0.036 0.000 1.057 92 K CA -1.187 55.032 56.287 -0.114 0.000 1.056 92 K CB 0.754 33.068 32.500 -0.310 0.000 1.235 92 K HN 0.276 nan 8.250 nan 0.000 0.547 93 P HA 0.042 nan 4.420 nan 0.000 0.272 93 P C -0.793 176.655 177.300 0.247 0.000 1.223 93 P CA -0.400 62.774 63.100 0.123 0.000 0.784 93 P CB 0.855 32.595 31.700 0.067 0.000 0.923 94 S N 1.013 116.848 115.700 0.226 0.000 2.494 94 S HA 0.132 4.603 4.470 0.002 0.000 0.312 94 S C 0.843 175.518 174.600 0.125 0.000 1.121 94 S CA -0.661 57.665 58.200 0.211 0.000 1.068 94 S CB -0.576 62.662 63.200 0.064 0.000 1.141 94 S HN 0.263 nan 8.310 nan 0.000 0.527 95 N N 2.840 121.635 118.700 0.159 0.000 2.443 95 N HA -0.091 4.650 4.740 0.002 0.000 0.184 95 N C 1.333 176.962 175.510 0.198 0.000 1.037 95 N CA 0.757 53.907 53.050 0.166 0.000 0.896 95 N CB -0.314 38.269 38.487 0.160 0.000 0.959 95 N HN 0.584 nan 8.380 nan 0.000 0.442 96 S N 0.910 116.695 115.700 0.142 0.000 2.383 96 S HA -0.095 4.377 4.470 0.002 0.000 0.229 96 S C 1.110 175.753 174.600 0.072 0.000 1.030 96 S CA 1.164 59.447 58.200 0.138 0.000 1.002 96 S CB 0.071 63.324 63.200 0.087 0.000 0.829 96 S HN 0.418 nan 8.310 nan 0.000 0.467 97 D N -0.450 119.917 120.400 -0.055 0.000 2.514 97 D HA 0.174 4.815 4.640 0.002 0.000 0.249 97 D C -0.110 175.950 176.300 -0.400 0.000 1.036 97 D CA 0.470 54.366 54.000 -0.173 0.000 0.911 97 D CB 0.587 41.329 40.800 -0.097 0.000 1.145 97 D HN 0.165 nan 8.370 nan 0.000 0.495 98 V N 2.418 122.139 119.914 -0.321 0.000 2.443 98 V HA 0.285 4.406 4.120 0.002 0.000 0.293 98 V C -0.974 175.015 176.094 -0.175 0.000 1.021 98 V CA -0.937 61.185 62.300 -0.297 0.000 0.848 98 V CB 0.908 32.673 31.823 -0.097 0.000 0.998 98 V HN -0.059 nan 8.190 nan 0.000 0.424 99 Y N 2.158 122.491 120.300 0.055 0.000 2.354 99 Y HA 0.770 5.322 4.550 0.002 0.000 0.322 99 Y C 0.857 176.786 175.900 0.048 0.000 1.253 99 Y CA -1.040 57.095 58.100 0.058 0.000 1.272 99 Y CB 1.789 40.287 38.460 0.064 0.000 1.255 99 Y HN 0.770 nan 8.280 nan 0.000 0.500 100 S N -1.404 114.433 115.700 0.229 0.000 2.651 100 S HA 0.487 4.959 4.470 0.002 0.000 0.279 100 S C 0.003 174.671 174.600 0.114 0.000 1.148 100 S CA -0.808 57.472 58.200 0.133 0.000 0.837 100 S CB 1.246 64.501 63.200 0.091 0.000 1.138 100 S HN 0.268 nan 8.310 nan 0.000 0.478 101 V N 1.347 121.312 119.914 0.084 0.000 2.343 101 V HA -0.118 4.004 4.120 0.002 0.000 0.247 101 V C 2.986 179.126 176.094 0.076 0.000 1.051 101 V CA 2.537 64.880 62.300 0.072 0.000 1.036 101 V CB -1.567 30.290 31.823 0.057 0.000 0.654 101 V HN 1.022 nan 8.190 nan 0.000 0.451 102 A N -0.371 122.491 122.820 0.071 0.000 1.892 102 A HA -0.327 3.995 4.320 0.002 0.000 0.218 102 A C 2.300 179.945 177.584 0.102 0.000 1.188 102 A CA 2.616 54.698 52.037 0.074 0.000 0.631 102 A CB -0.556 18.471 19.000 0.043 0.000 0.822 102 A HN 0.540 nan 8.150 nan 0.000 0.447 103 M N -0.464 119.195 119.600 0.099 0.000 2.086 103 M HA -0.122 4.360 4.480 0.002 0.000 0.261 103 M C 2.287 178.676 176.300 0.148 0.000 1.067 103 M CA 1.865 57.241 55.300 0.127 0.000 1.116 103 M CB -0.285 32.391 32.600 0.127 0.000 1.348 103 M HN 0.406 nan 8.290 nan 0.000 0.407 104 A N 0.749 123.629 122.820 0.100 0.000 1.902 104 A HA -0.185 4.136 4.320 0.002 0.000 0.217 104 A C 2.058 179.679 177.584 0.062 0.000 1.181 104 A CA 1.814 53.888 52.037 0.062 0.000 0.623 104 A CB -0.682 18.343 19.000 0.043 0.000 0.818 104 A HN 0.624 nan 8.150 nan 0.000 0.443 105 R N -1.792 118.758 120.500 0.085 0.000 2.081 105 R HA -0.112 4.229 4.340 0.002 0.000 0.235 105 R C 2.009 178.370 176.300 0.103 0.000 1.131 105 R CA 1.545 57.694 56.100 0.082 0.000 0.960 105 R CB -0.554 29.801 30.300 0.091 0.000 0.856 105 R HN 0.623 nan 8.270 nan 0.000 0.436 106 F N 1.341 121.296 119.950 0.009 0.000 2.095 106 F HA -0.201 4.328 4.527 0.002 0.000 0.298 106 F C 1.931 177.749 175.800 0.030 0.000 1.104 106 F CA 1.337 59.337 58.000 -0.000 0.000 1.232 106 F CB -0.412 38.545 39.000 -0.072 0.000 0.987 106 F HN -0.283 nan 8.300 nan 0.000 0.475 107 V N 1.902 121.638 119.914 -0.296 0.000 2.358 107 V HA -0.292 3.830 4.120 0.002 0.000 0.246 107 V C 2.470 178.483 176.094 -0.136 0.000 1.047 107 V CA 2.207 64.318 62.300 -0.315 0.000 1.035 107 V CB -1.078 30.729 31.823 -0.027 0.000 0.658 107 V HN 0.603 nan 8.190 nan 0.000 0.452 108 E N 0.580 120.742 120.200 -0.065 0.000 2.152 108 E HA -0.234 4.118 4.350 0.002 0.000 0.192 108 E C 2.181 178.761 176.600 -0.033 0.000 0.983 108 E CA 1.682 58.068 56.400 -0.023 0.000 0.818 108 E CB -0.578 29.119 29.700 -0.005 0.000 0.758 108 E HN 0.575 nan 8.360 nan 0.000 0.467 109 T N -0.748 113.770 114.554 -0.060 0.000 2.904 109 T HA -0.152 4.199 4.350 0.002 0.000 0.267 109 T C 1.547 176.197 174.700 -0.082 0.000 1.059 109 T CA 0.837 62.903 62.100 -0.058 0.000 1.137 109 T CB -0.512 68.338 68.868 -0.029 0.000 0.879 109 T HN 0.303 nan 8.240 nan 0.000 0.467 110 F N 2.237 121.987 119.950 -0.333 0.000 2.069 110 F HA 0.067 4.595 4.527 0.002 0.000 0.298 110 F C 2.589 178.315 175.800 -0.123 0.000 1.113 110 F CA 1.393 59.214 58.000 -0.298 0.000 1.214 110 F CB -0.914 37.755 39.000 -0.552 0.000 0.978 110 F HN 0.278 nan 8.300 nan 0.000 0.474 111 A N 0.525 123.461 122.820 0.193 0.000 1.908 111 A HA -0.242 4.079 4.320 0.002 0.000 0.218 111 A C 2.440 180.040 177.584 0.027 0.000 1.181 111 A CA 1.869 53.990 52.037 0.141 0.000 0.627 111 A CB -0.916 18.145 19.000 0.100 0.000 0.818 111 A HN 0.471 nan 8.150 nan 0.000 0.445 112 R N -0.454 120.038 120.500 -0.012 0.000 2.066 112 R HA -0.082 4.259 4.340 0.002 0.000 0.232 112 R C 1.874 178.141 176.300 -0.054 0.000 1.131 112 R CA 1.975 58.058 56.100 -0.029 0.000 0.955 112 R CB -0.278 30.001 30.300 -0.035 0.000 0.851 112 R HN 0.363 nan 8.270 nan 0.000 0.432 113 V N 0.527 120.377 119.914 -0.107 0.000 2.500 113 V HA -0.072 4.049 4.120 0.002 0.000 0.243 113 V C 1.949 177.968 176.094 -0.124 0.000 1.039 113 V CA 1.142 63.367 62.300 -0.125 0.000 1.053 113 V CB 0.006 31.723 31.823 -0.176 0.000 0.695 113 V HN 0.283 nan 8.190 nan 0.000 0.463 114 L N -0.208 120.861 121.223 -0.257 0.000 2.731 114 L HA 0.421 4.762 4.340 0.002 0.000 0.240 114 L C 1.416 178.340 176.870 0.090 0.000 1.120 114 L CA 0.060 54.761 54.840 -0.232 0.000 0.913 114 L CB -0.172 41.484 42.059 -0.671 0.000 1.213 114 L HN 0.372 nan 8.230 nan 0.000 0.515 115 G N 0.170 108.993 108.800 0.039 0.000 2.554 115 G HA2 0.105 4.067 3.960 0.002 0.000 0.238 115 G HA3 0.105 4.067 3.960 0.002 0.000 0.238 115 G C -1.033 173.957 174.900 0.150 0.000 1.259 115 G CA 0.018 45.199 45.100 0.136 0.000 0.843 115 G HN 0.026 nan 8.290 nan 0.000 0.582 116 D N 1.300 121.781 120.400 0.136 0.000 2.502 116 D HA 0.297 4.938 4.640 0.002 0.000 0.249 116 D C -1.374 174.955 176.300 0.049 0.000 1.092 116 D CA -1.990 52.080 54.000 0.117 0.000 0.839 116 D CB 2.512 43.410 40.800 0.162 0.000 1.264 116 D HN 0.098 nan 8.370 nan 0.000 0.511 117 P HA -0.056 nan 4.420 nan 0.000 0.222 117 P C 0.882 178.169 177.300 -0.022 0.000 1.147 117 P CA 0.497 63.599 63.100 0.003 0.000 0.790 117 P CB 0.292 31.998 31.700 0.010 0.000 0.780 118 A N -0.461 122.350 122.820 -0.015 0.000 2.167 118 A HA 0.092 4.413 4.320 0.002 0.000 0.214 118 A C 1.467 179.002 177.584 -0.082 0.000 1.151 118 A CA 0.481 52.494 52.037 -0.041 0.000 0.735 118 A CB -0.659 18.323 19.000 -0.030 0.000 0.802 118 A HN 0.191 nan 8.150 nan 0.000 0.467 119 L N 0.468 121.639 121.223 -0.087 0.000 2.679 119 L HA 0.260 4.602 4.340 0.002 0.000 0.238 119 L C -1.883 174.890 176.870 -0.161 0.000 1.330 119 L CA -1.185 53.576 54.840 -0.132 0.000 0.935 119 L CB 1.361 43.348 42.059 -0.121 0.000 1.243 119 L HN 0.109 nan 8.230 nan 0.000 0.484 120 P HA -0.062 nan 4.420 nan 0.000 0.231 120 P C 0.173 177.260 177.300 -0.355 0.000 1.168 120 P CA 0.654 63.575 63.100 -0.298 0.000 0.779 120 P CB 0.215 31.699 31.700 -0.359 0.000 0.844 121 H N 0.626 119.568 119.070 -0.215 0.000 2.668 121 H HA 0.294 4.851 4.556 0.002 0.000 0.303 121 H C 0.028 175.161 175.328 -0.326 0.000 1.074 121 H CA -0.401 55.453 56.048 -0.322 0.000 1.406 121 H CB 0.729 30.060 29.762 -0.717 0.000 1.442 121 H HN -0.006 nan 8.280 nan 0.000 0.482 122 L N 4.115 125.295 121.223 -0.072 0.000 2.334 122 L HA 0.402 4.743 4.340 0.002 0.000 0.276 122 L C -0.517 176.275 176.870 -0.130 0.000 1.014 122 L CA -0.756 53.973 54.840 -0.185 0.000 0.815 122 L CB 1.256 43.192 42.059 -0.205 0.000 1.268 122 L HN 0.477 nan 8.230 nan 0.000 0.428 123 F N 2.820 122.467 119.950 -0.505 0.000 2.588 123 F HA 0.673 5.202 4.527 0.002 0.000 0.314 123 F C -1.494 173.959 175.800 -0.579 0.000 1.134 123 F CA -0.774 57.041 58.000 -0.310 0.000 0.961 123 F CB 1.364 40.397 39.000 0.053 0.000 1.239 123 F HN 0.222 nan 8.300 nan 0.000 0.448 124 F N 5.211 124.827 119.950 -0.556 0.000 2.538 124 F HA 0.867 5.396 4.527 0.002 0.000 0.325 124 F C -0.476 175.027 175.800 -0.496 0.000 1.066 124 F CA -1.215 56.590 58.000 -0.325 0.000 0.946 124 F CB 1.923 40.880 39.000 -0.071 0.000 1.199 124 F HN 0.410 nan 8.300 nan 0.000 0.473 125 V N 0.730 120.648 119.914 0.008 0.000 3.204 125 V HA 0.334 4.456 4.120 0.002 0.000 0.298 125 V C -1.410 174.742 176.094 0.097 0.000 1.328 125 V CA -0.795 61.523 62.300 0.030 0.000 1.035 125 V CB 2.461 34.340 31.823 0.094 0.000 1.095 125 V HN 0.791 nan 8.190 nan 0.000 0.442 126 E N 2.555 122.823 120.200 0.112 0.000 2.223 126 E HA 0.574 4.926 4.350 0.002 0.000 0.282 126 E C 0.056 176.716 176.600 0.100 0.000 1.046 126 E CA 0.551 57.011 56.400 0.101 0.000 0.857 126 E CB 1.277 31.044 29.700 0.113 0.000 1.055 126 E HN 1.393 nan 8.360 nan 0.000 0.409 127 G N 1.610 110.467 108.800 0.094 0.000 3.069 127 G HA2 -0.096 3.865 3.960 0.002 0.000 0.686 127 G HA3 -0.096 3.865 3.960 0.002 0.000 0.686 127 G C 0.537 175.496 174.900 0.098 0.000 1.161 127 G CA -0.598 44.558 45.100 0.093 0.000 0.804 127 G HN 0.621 nan 8.290 nan 0.000 0.608 128 G N 0.703 109.572 108.800 0.115 0.000 2.402 128 G HA2 0.281 4.242 3.960 0.002 0.000 0.216 128 G HA3 0.281 4.242 3.960 0.002 0.000 0.216 128 G C 2.098 177.067 174.900 0.115 0.000 1.162 128 G CA 2.464 47.640 45.100 0.127 0.000 0.777 128 G HN 2.003 nan 8.290 nan 0.000 0.539 129 A N 0.302 123.191 122.820 0.115 0.000 1.902 129 A HA 0.073 4.394 4.320 0.002 0.000 0.217 129 A C 2.306 179.938 177.584 0.080 0.000 1.181 129 A CA 1.343 53.437 52.037 0.095 0.000 0.623 129 A CB -0.370 18.674 19.000 0.074 0.000 0.818 129 A HN 0.303 nan 8.150 nan 0.000 0.443 130 L N -0.611 120.660 121.223 0.079 0.000 2.156 130 L HA -0.004 4.337 4.340 0.002 0.000 0.208 130 L C 2.869 179.786 176.870 0.079 0.000 1.095 130 L CA 1.480 56.370 54.840 0.084 0.000 0.770 130 L CB -1.033 41.083 42.059 0.096 0.000 0.914 130 L HN 0.402 nan 8.230 nan 0.000 0.439 131 A N -0.953 121.896 122.820 0.049 0.000 1.883 131 A HA -0.176 4.146 4.320 0.002 0.000 0.217 131 A C 2.348 179.915 177.584 -0.029 0.000 1.186 131 A CA 2.084 54.110 52.037 -0.019 0.000 0.624 131 A CB -0.934 18.001 19.000 -0.108 0.000 0.822 131 A HN 0.201 nan 8.150 nan 0.000 0.444 132 V N 0.261 120.174 119.914 -0.002 0.000 2.343 132 V HA -0.267 3.854 4.120 0.002 0.000 0.247 132 V C 2.411 178.479 176.094 -0.043 0.000 1.051 132 V CA 2.204 64.484 62.300 -0.034 0.000 1.036 132 V CB -0.918 30.906 31.823 0.002 0.000 0.654 132 V HN 0.604 nan 8.190 nan 0.000 0.451 133 E N 0.189 120.412 120.200 0.038 0.000 2.110 133 E HA -0.208 4.143 4.350 0.002 0.000 0.193 133 E C 2.066 178.688 176.600 0.036 0.000 0.988 133 E CA 1.198 57.664 56.400 0.110 0.000 0.804 133 E CB -0.252 29.558 29.700 0.183 0.000 0.745 133 E HN 0.625 nan 8.360 nan 0.000 0.458 134 N N 0.532 119.228 118.700 -0.007 0.000 2.270 134 N HA -0.087 4.654 4.740 0.002 0.000 0.181 134 N C 1.807 177.220 175.510 -0.162 0.000 1.016 134 N CA 0.883 53.875 53.050 -0.097 0.000 0.870 134 N CB -0.003 38.432 38.487 -0.087 0.000 0.979 134 N HN 0.083 nan 8.380 nan 0.000 0.431 135 A N 1.757 124.492 122.820 -0.141 0.000 1.877 135 A HA -0.083 4.238 4.320 0.002 0.000 0.216 135 A C 2.367 179.755 177.584 -0.327 0.000 1.186 135 A CA 0.920 52.843 52.037 -0.190 0.000 0.620 135 A CB -0.708 18.174 19.000 -0.195 0.000 0.822 135 A HN 0.166 nan 8.150 nan 0.000 0.443 136 L N -0.865 120.121 121.223 -0.395 0.000 2.017 136 L HA -0.219 4.123 4.340 0.002 0.000 0.208 136 L C 2.608 178.943 176.870 -0.890 0.000 1.073 136 L CA 1.891 56.275 54.840 -0.760 0.000 0.745 136 L CB -0.566 41.069 42.059 -0.707 0.000 0.894 136 L HN 0.349 nan 8.230 nan 0.000 0.432 137 K N 0.224 120.403 120.400 -0.370 0.000 2.063 137 K HA -0.172 4.150 4.320 0.002 0.000 0.208 137 K C 2.265 178.748 176.600 -0.195 0.000 1.048 137 K CA 1.427 57.644 56.287 -0.116 0.000 0.928 137 K CB -0.331 32.164 32.500 -0.008 0.000 0.713 137 K HN 0.296 nan 8.250 nan 0.000 0.442 138 A N 1.483 124.136 122.820 -0.277 0.000 1.908 138 A HA -0.194 4.127 4.320 0.002 0.000 0.218 138 A C 2.368 179.869 177.584 -0.138 0.000 1.181 138 A CA 2.088 53.983 52.037 -0.238 0.000 0.627 138 A CB -0.777 18.127 19.000 -0.160 0.000 0.818 138 A HN 0.365 nan 8.150 nan 0.000 0.445 139 A N -1.211 121.439 122.820 -0.282 0.000 1.898 139 A HA 0.105 4.426 4.320 0.002 0.000 0.216 139 A C 1.898 179.432 177.584 -0.084 0.000 1.181 139 A CA 1.454 53.341 52.037 -0.250 0.000 0.620 139 A CB -0.678 18.041 19.000 -0.469 0.000 0.819 139 A HN 0.425 nan 8.150 nan 0.000 0.442 140 F N 0.382 120.269 119.950 -0.106 0.000 2.102 140 F HA -0.125 4.403 4.527 0.002 0.000 0.298 140 F C 2.064 177.849 175.800 -0.026 0.000 1.105 140 F CA 1.284 59.221 58.000 -0.104 0.000 1.239 140 F CB -1.096 37.800 39.000 -0.174 0.000 0.991 140 F HN 0.432 nan 8.300 nan 0.000 0.474 141 D N -1.238 119.260 120.400 0.163 0.000 2.097 141 D HA -0.277 4.365 4.640 0.002 0.000 0.195 141 D C 2.191 178.558 176.300 0.112 0.000 0.989 141 D CA 1.436 55.489 54.000 0.088 0.000 0.827 141 D CB -0.432 40.375 40.800 0.011 0.000 0.966 141 D HN 0.288 nan 8.370 nan 0.000 0.456 142 W N 1.065 122.344 121.300 -0.035 0.000 2.333 142 W HA -0.215 4.446 4.660 0.002 0.000 0.316 142 W C 2.319 178.859 176.519 0.034 0.000 1.215 142 W CA 1.866 59.203 57.345 -0.013 0.000 1.278 142 W CB -0.310 29.121 29.460 -0.048 0.000 1.154 142 W HN -0.138 nan 8.180 nan 0.000 0.486 143 K N 0.371 120.974 120.400 0.337 0.000 2.032 143 K HA -0.202 4.120 4.320 0.002 0.000 0.209 143 K C 2.382 179.004 176.600 0.036 0.000 1.048 143 K CA 2.162 58.567 56.287 0.196 0.000 0.927 143 K CB -1.122 31.537 32.500 0.265 0.000 0.712 143 K HN 0.118 nan 8.250 nan 0.000 0.441 144 S N -0.023 115.706 115.700 0.049 0.000 2.359 144 S HA -0.158 4.313 4.470 0.002 0.000 0.224 144 S C 1.964 176.535 174.600 -0.048 0.000 1.035 144 S CA 1.495 59.699 58.200 0.008 0.000 1.018 144 S CB -0.196 63.014 63.200 0.015 0.000 0.876 144 S HN 0.400 nan 8.310 nan 0.000 0.448 145 R N -0.403 120.045 120.500 -0.087 0.000 2.092 145 R HA -0.044 4.298 4.340 0.002 0.000 0.231 145 R C 2.570 178.755 176.300 -0.193 0.000 1.119 145 R CA 1.395 57.414 56.100 -0.135 0.000 0.970 145 R CB -0.701 29.517 30.300 -0.138 0.000 0.864 145 R HN 0.584 nan 8.270 nan 0.000 0.440 146 H N 1.255 120.068 119.070 -0.428 0.000 2.321 146 H HA -0.072 4.485 4.556 0.002 0.000 0.300 146 H C 1.462 176.698 175.328 -0.154 0.000 1.087 146 H CA 1.574 57.355 56.048 -0.444 0.000 1.319 146 H CB 0.156 29.331 29.762 -0.978 0.000 1.379 146 H HN 0.113 nan 8.280 nan 0.000 0.501 147 N N 1.021 119.688 118.700 -0.054 0.000 2.018 147 N HA -0.213 4.529 4.740 0.002 0.000 0.196 147 N C 2.135 177.596 175.510 -0.081 0.000 1.043 147 N CA 1.476 54.491 53.050 -0.058 0.000 0.856 147 N CB -0.799 37.675 38.487 -0.022 0.000 1.042 147 N HN 0.538 nan 8.380 nan 0.000 0.423 148 Q N 0.190 119.940 119.800 -0.083 0.000 2.112 148 Q HA -0.122 4.220 4.340 0.002 0.000 0.206 148 Q C 1.716 177.643 176.000 -0.121 0.000 0.987 148 Q CA 1.975 57.724 55.803 -0.089 0.000 0.858 148 Q CB -0.164 28.525 28.738 -0.082 0.000 0.905 148 Q HN 0.424 nan 8.270 nan 0.000 0.420 149 A N -0.367 122.356 122.820 -0.162 0.000 2.067 149 A HA -0.132 4.189 4.320 0.002 0.000 0.219 149 A C 0.959 178.297 177.584 -0.411 0.000 1.158 149 A CA 1.048 52.924 52.037 -0.268 0.000 0.661 149 A CB -0.344 18.465 19.000 -0.319 0.000 0.801 149 A HN 0.525 nan 8.150 nan 0.000 0.452 150 H N -1.546 117.360 119.070 -0.273 0.000 2.469 150 H HA 0.307 4.865 4.556 0.002 0.000 0.286 150 H C 1.378 176.600 175.328 -0.177 0.000 1.106 150 H CA 0.246 56.153 56.048 -0.235 0.000 1.055 150 H CB 0.082 29.670 29.762 -0.289 0.000 1.618 150 H HN 0.590 nan 8.280 nan 0.000 0.559 151 G N 1.694 110.445 108.800 -0.083 0.000 2.155 151 G HA2 -0.291 3.671 3.960 0.002 0.000 0.257 151 G HA3 -0.291 3.671 3.960 0.002 0.000 0.257 151 G C 0.175 175.029 174.900 -0.076 0.000 0.983 151 G CA 0.157 45.212 45.100 -0.074 0.000 0.676 151 G HN 0.351 nan 8.290 nan 0.000 0.528 152 I N 0.721 121.232 120.570 -0.098 0.000 2.428 152 I HA 0.291 4.462 4.170 0.002 0.000 0.296 152 I C 0.521 176.599 176.117 -0.066 0.000 0.985 152 I CA -0.915 60.313 61.300 -0.119 0.000 1.260 152 I CB 1.152 39.005 38.000 -0.246 0.000 1.389 152 I HN 0.062 nan 8.210 nan 0.000 0.484 153 D N 8.228 128.608 120.400 -0.035 0.000 2.520 153 D HA -0.026 4.615 4.640 0.002 0.000 0.243 153 D C -1.542 174.752 176.300 -0.011 0.000 1.160 153 D CA -1.385 52.606 54.000 -0.014 0.000 0.877 153 D CB 0.940 41.744 40.800 0.007 0.000 1.150 153 D HN 0.231 nan 8.370 nan 0.000 0.494 154 P HA -0.000 nan 4.420 nan 0.000 0.242 154 P C 0.660 177.957 177.300 -0.005 0.000 1.197 154 P CA 0.339 63.429 63.100 -0.016 0.000 0.765 154 P CB 0.155 31.839 31.700 -0.027 0.000 0.936 155 A N -0.322 122.499 122.820 0.001 0.000 2.119 155 A HA 0.045 4.367 4.320 0.002 0.000 0.217 155 A C 1.258 178.849 177.584 0.012 0.000 1.153 155 A CA 0.403 52.443 52.037 0.004 0.000 0.692 155 A CB -0.810 18.194 19.000 0.008 0.000 0.799 155 A HN 0.183 nan 8.150 nan 0.000 0.458 156 L N -0.799 120.441 121.223 0.029 0.000 2.334 156 L HA 0.559 4.900 4.340 0.002 0.000 0.277 156 L C 0.938 177.843 176.870 0.058 0.000 1.075 156 L CA 0.405 55.277 54.840 0.054 0.000 0.804 156 L CB 1.213 43.329 42.059 0.095 0.000 1.174 156 L HN 0.369 nan 8.230 nan 0.000 0.438 157 G N 0.583 109.418 108.800 0.060 0.000 2.441 157 G HA2 -0.141 3.820 3.960 0.002 0.000 0.139 157 G HA3 -0.141 3.820 3.960 0.002 0.000 0.139 157 G C 0.149 175.080 174.900 0.052 0.000 1.067 157 G CA -0.052 45.099 45.100 0.085 0.000 0.766 157 G HN 0.732 nan 8.290 nan 0.000 0.484 158 T N -3.222 111.303 114.554 -0.048 0.000 3.111 158 T HA 0.448 4.799 4.350 0.002 0.000 0.284 158 T C 0.498 175.005 174.700 -0.322 0.000 0.983 158 T CA 0.090 62.019 62.100 -0.286 0.000 0.900 158 T CB 0.555 69.275 68.868 -0.246 0.000 1.132 158 T HN 0.474 nan 8.240 nan 0.000 0.531 159 Q N 0.766 120.422 119.800 -0.239 0.000 2.297 159 Q HA 0.720 5.061 4.340 0.002 0.000 0.268 159 Q C -1.385 174.220 176.000 -0.660 0.000 1.045 159 Q CA -1.083 54.377 55.803 -0.571 0.000 0.861 159 Q CB 2.992 31.627 28.738 -0.172 0.000 1.344 159 Q HN 0.124 nan 8.270 nan 0.000 0.452 160 V N 2.418 121.740 119.914 -0.987 0.000 2.443 160 V HA 0.222 4.343 4.120 0.002 0.000 0.293 160 V C -0.715 175.293 176.094 -0.143 0.000 1.021 160 V CA -0.754 61.184 62.300 -0.603 0.000 0.848 160 V CB 1.473 32.787 31.823 -0.848 0.000 0.998 160 V HN 0.581 nan 8.190 nan 0.000 0.424 161 L N 6.466 127.640 121.223 -0.081 0.000 2.380 161 L HA 0.613 4.954 4.340 0.002 0.000 0.273 161 L C -0.052 176.987 176.870 0.282 0.000 1.138 161 L CA 0.825 55.704 54.840 0.066 0.000 0.832 161 L CB 0.127 42.142 42.059 -0.073 0.000 1.124 161 L HN 0.953 nan 8.230 nan 0.000 0.454 162 H N 2.184 121.364 119.070 0.184 0.000 2.918 162 H HA 0.638 5.196 4.556 0.003 0.000 0.303 162 H C -1.536 173.963 175.328 0.285 0.000 1.380 162 H CA -1.303 54.853 56.048 0.180 0.000 1.134 162 H CB 0.576 30.416 29.762 0.130 0.000 1.842 162 H HN 0.465 nan 8.280 nan 0.000 0.533 163 L N 1.358 122.774 121.223 0.323 0.000 2.334 163 L HA 0.506 4.848 4.340 0.002 0.000 0.275 163 L C 0.467 177.484 176.870 0.245 0.000 1.036 163 L CA -1.065 53.941 54.840 0.277 0.000 0.807 163 L CB 1.431 43.703 42.059 0.356 0.000 1.231 163 L HN 0.517 nan 8.230 nan 0.000 0.438 164 R N 0.999 121.612 120.500 0.189 0.000 2.623 164 R HA 0.200 4.541 4.340 0.002 0.000 0.271 164 R C 0.957 177.396 176.300 0.233 0.000 1.043 164 R CA 0.776 56.991 56.100 0.192 0.000 1.083 164 R CB 0.228 30.623 30.300 0.157 0.000 0.974 164 R HN 0.982 nan 8.270 nan 0.000 0.436 165 G N 0.574 109.493 108.800 0.200 0.000 2.159 165 G HA2 -0.321 3.641 3.960 0.002 0.000 0.256 165 G HA3 -0.321 3.641 3.960 0.002 0.000 0.256 165 G C 0.216 175.222 174.900 0.177 0.000 0.977 165 G CA 0.144 45.348 45.100 0.174 0.000 0.652 165 G HN 0.871 nan 8.290 nan 0.000 0.531 166 A N -0.421 122.514 122.820 0.192 0.000 2.407 166 A HA 0.694 5.016 4.320 0.002 0.000 0.248 166 A C -0.436 177.167 177.584 0.032 0.000 1.082 166 A CA 0.195 52.286 52.037 0.090 0.000 0.785 166 A CB 0.578 19.668 19.000 0.150 0.000 1.020 166 A HN 1.388 nan 8.150 nan 0.000 0.489 167 F N 2.070 121.860 119.950 -0.267 0.000 2.539 167 F HA 0.492 5.020 4.527 0.002 0.000 0.328 167 F C 0.272 175.870 175.800 -0.338 0.000 1.148 167 F CA -0.507 57.382 58.000 -0.185 0.000 0.940 167 F CB 1.366 40.330 39.000 -0.061 0.000 1.194 167 F HN 0.687 nan 8.300 nan 0.000 0.438 168 H N 3.787 122.710 119.070 -0.245 0.000 3.058 168 H HA 0.486 5.043 4.556 0.002 0.000 0.266 168 H C 0.782 176.015 175.328 -0.159 0.000 1.135 168 H CA 0.406 56.408 56.048 -0.077 0.000 1.174 168 H CB 0.879 30.614 29.762 -0.045 0.000 1.581 168 H HN 0.797 nan 8.280 nan 0.000 0.553 169 G N 0.755 109.271 108.800 -0.475 0.000 2.347 169 G HA2 -0.066 3.896 3.960 0.002 0.000 0.341 169 G HA3 -0.066 3.896 3.960 0.002 0.000 0.341 169 G C -0.487 174.240 174.900 -0.289 0.000 1.287 169 G CA -0.994 43.965 45.100 -0.234 0.000 0.984 169 G HN 0.171 nan 8.290 nan 0.000 0.526 170 R N -0.061 120.385 120.500 -0.089 0.000 2.662 170 R HA 0.394 4.735 4.340 0.002 0.000 0.396 170 R C 0.943 177.189 176.300 -0.090 0.000 1.096 170 R CA 0.416 56.468 56.100 -0.079 0.000 1.081 170 R CB 0.798 31.098 30.300 -0.001 0.000 1.382 170 R HN 0.741 nan 8.270 nan 0.000 0.580 171 S N -1.941 113.727 115.700 -0.053 0.000 2.758 171 S HA 0.419 4.890 4.470 0.002 0.000 0.292 171 S C 1.455 176.029 174.600 -0.043 0.000 1.131 171 S CA -0.329 57.839 58.200 -0.053 0.000 0.997 171 S CB 1.569 64.762 63.200 -0.011 0.000 1.111 171 S HN 0.128 nan 8.310 nan 0.000 0.552 172 G N 0.076 108.831 108.800 -0.076 0.000 2.529 172 G HA2 -0.201 3.760 3.960 0.002 0.000 0.219 172 G HA3 -0.201 3.760 3.960 0.002 0.000 0.219 172 G C 0.970 175.926 174.900 0.093 0.000 1.177 172 G CA 1.079 46.134 45.100 -0.075 0.000 0.773 172 G HN 0.716 nan 8.290 nan 0.000 0.573 173 Y N 1.438 121.837 120.300 0.165 0.000 2.286 173 Y HA -0.013 4.539 4.550 0.002 0.000 0.293 173 Y C 3.291 179.319 175.900 0.214 0.000 1.124 173 Y CA 1.195 59.459 58.100 0.274 0.000 1.178 173 Y CB -0.954 37.714 38.460 0.346 0.000 1.010 173 Y HN 0.336 nan 8.280 nan 0.000 0.536 174 T N -2.747 111.960 114.554 0.255 0.000 3.055 174 T HA -0.056 4.295 4.350 0.002 0.000 0.265 174 T C 1.782 176.513 174.700 0.052 0.000 1.111 174 T CA 0.496 62.678 62.100 0.135 0.000 1.118 174 T CB -0.420 68.487 68.868 0.067 0.000 0.909 174 T HN 0.015 nan 8.240 nan 0.000 0.501 175 L N 1.812 123.060 121.223 0.042 0.000 2.275 175 L HA 0.168 4.510 4.340 0.002 0.000 0.215 175 L C 2.480 179.375 176.870 0.041 0.000 1.119 175 L CA 0.956 55.809 54.840 0.021 0.000 0.790 175 L CB -1.289 40.779 42.059 0.015 0.000 0.919 175 L HN 0.315 nan 8.230 nan 0.000 0.443 176 S N -1.155 114.577 115.700 0.054 0.000 2.562 176 S HA 0.116 4.587 4.470 0.002 0.000 0.221 176 S C 1.783 176.394 174.600 0.019 0.000 0.975 176 S CA 0.351 58.554 58.200 0.006 0.000 0.918 176 S CB 0.283 63.368 63.200 -0.190 0.000 0.772 176 S HN 0.343 nan 8.310 nan 0.000 0.531 177 L N -0.045 121.178 121.223 0.001 0.000 2.433 177 L HA 0.155 4.496 4.340 0.002 0.000 0.200 177 L C 0.613 177.523 176.870 0.067 0.000 1.059 177 L CA 0.319 55.059 54.840 -0.167 0.000 0.835 177 L CB -0.729 41.314 42.059 -0.027 0.000 1.076 177 L HN 0.023 nan 8.230 nan 0.000 0.481 178 T N 3.728 118.296 114.554 0.022 0.000 2.831 178 T HA 0.047 4.399 4.350 0.002 0.000 0.291 178 T C 0.170 174.907 174.700 0.062 0.000 0.981 178 T CA 0.198 62.264 62.100 -0.056 0.000 1.174 178 T CB -0.299 68.380 68.868 -0.316 0.000 0.929 178 T HN 0.380 nan 8.240 nan 0.000 0.532 179 N N 1.973 120.746 118.700 0.121 0.000 2.722 179 N HA 0.103 4.844 4.740 0.002 0.000 0.242 179 N C 0.189 175.789 175.510 0.149 0.000 1.398 179 N CA -0.582 52.555 53.050 0.144 0.000 0.755 179 N CB 1.055 39.648 38.487 0.177 0.000 1.268 179 N HN 0.589 nan 8.380 nan 0.000 0.522 180 T N -1.428 113.221 114.554 0.158 0.000 3.518 180 T HA 0.290 4.641 4.350 0.002 0.000 0.211 180 T C 0.260 175.029 174.700 0.114 0.000 0.940 180 T CA 0.346 62.536 62.100 0.150 0.000 1.307 180 T CB 0.284 69.273 68.868 0.201 0.000 1.392 180 T HN -0.010 nan 8.240 nan 0.000 0.382 181 K N 2.368 122.841 120.400 0.121 0.000 2.156 181 K HA 0.421 4.742 4.320 0.002 0.000 0.271 181 K C -2.099 174.553 176.600 0.086 0.000 0.995 181 K CA -2.577 53.763 56.287 0.088 0.000 0.890 181 K CB 1.443 33.991 32.500 0.079 0.000 1.073 181 K HN 0.074 nan 8.250 nan 0.000 0.454 182 P HA -0.132 nan 4.420 nan 0.000 0.216 182 P C 0.939 178.259 177.300 0.033 0.000 1.150 182 P CA 1.321 64.445 63.100 0.038 0.000 0.843 182 P CB 0.289 31.999 31.700 0.017 0.000 0.787 183 T N -0.543 114.037 114.554 0.042 0.000 2.778 183 T HA -0.171 4.181 4.350 0.002 0.000 0.269 183 T C 1.658 176.422 174.700 0.106 0.000 1.050 183 T CA 1.145 63.275 62.100 0.049 0.000 1.137 183 T CB -0.828 68.072 68.868 0.054 0.000 0.860 183 T HN 0.144 nan 8.240 nan 0.000 0.468 184 I N 1.173 121.828 120.570 0.142 0.000 2.353 184 I HA -0.103 4.069 4.170 0.002 0.000 0.248 184 I C 2.567 178.856 176.117 0.286 0.000 1.119 184 I CA 1.460 62.886 61.300 0.210 0.000 1.417 184 I CB -0.295 37.834 38.000 0.215 0.000 1.078 184 I HN 0.382 nan 8.210 nan 0.000 0.421 185 T N -2.252 112.420 114.554 0.196 0.000 2.975 185 T HA 0.427 4.778 4.350 0.002 0.000 0.257 185 T C 0.818 175.535 174.700 0.028 0.000 1.003 185 T CA -0.075 62.163 62.100 0.229 0.000 0.932 185 T CB -0.025 68.923 68.868 0.133 0.000 1.087 185 T HN 0.132 nan 8.240 nan 0.000 0.512 186 A N 2.265 125.001 122.820 -0.140 0.000 2.511 186 A HA 0.497 4.818 4.320 0.002 0.000 0.242 186 A C 1.009 178.234 177.584 -0.599 0.000 1.069 186 A CA -0.036 51.842 52.037 -0.265 0.000 0.763 186 A CB -0.403 18.485 19.000 -0.187 0.000 1.001 186 A HN 0.583 nan 8.150 nan 0.000 0.498 187 R N -0.986 119.273 120.500 -0.402 0.000 3.989 187 R HA -0.179 4.162 4.340 0.002 0.000 0.377 187 R C -1.247 174.816 176.300 -0.395 0.000 1.158 187 R CA 1.278 57.136 56.100 -0.403 0.000 1.035 187 R CB -2.412 27.642 30.300 -0.410 0.000 1.557 187 R HN 0.493 nan 8.270 nan 0.000 0.551 188 F N 2.238 122.161 119.950 -0.044 0.000 2.436 188 F HA 0.417 4.945 4.527 0.002 0.000 0.340 188 F C -1.450 174.294 175.800 -0.093 0.000 1.113 188 F CA -3.244 54.720 58.000 -0.061 0.000 1.022 188 F CB 0.373 39.344 39.000 -0.048 0.000 1.128 188 F HN -0.234 nan 8.300 nan 0.000 0.466 189 P HA 0.181 nan 4.420 nan 0.000 0.268 189 P C -1.000 176.203 177.300 -0.162 0.000 1.205 189 P CA -0.198 62.852 63.100 -0.083 0.000 0.771 189 P CB 0.943 32.565 31.700 -0.130 0.000 0.858 190 K N 1.497 121.749 120.400 -0.247 0.000 2.477 190 K HA 0.480 4.802 4.320 0.002 0.000 0.255 190 K C -0.474 175.824 176.600 -0.504 0.000 0.952 190 K CA -0.699 55.405 56.287 -0.305 0.000 0.826 190 K CB 1.406 33.822 32.500 -0.140 0.000 1.331 190 K HN 0.211 nan 8.250 nan 0.000 0.437 191 F N 0.834 120.479 119.950 -0.509 0.000 2.410 191 F HA 0.060 4.589 4.527 0.002 0.000 0.334 191 F C 0.978 176.461 175.800 -0.529 0.000 1.134 191 F CA -0.206 57.380 58.000 -0.691 0.000 1.227 191 F CB 0.498 38.580 39.000 -1.531 0.000 1.194 191 F HN 0.462 nan 8.300 nan 0.000 0.571 192 D N 2.510 122.842 120.400 -0.113 0.000 2.517 192 D HA 0.089 4.730 4.640 0.002 0.000 0.220 192 D C -1.217 175.211 176.300 0.214 0.000 1.158 192 D CA -0.112 53.908 54.000 0.033 0.000 0.992 192 D CB -0.114 40.721 40.800 0.058 0.000 1.058 192 D HN 0.147 nan 8.370 nan 0.000 0.516 193 W N 3.688 125.103 121.300 0.191 0.000 2.512 193 W HA 0.381 5.042 4.660 0.002 0.000 0.335 193 W C -2.026 174.603 176.519 0.184 0.000 1.088 193 W CA -3.128 54.326 57.345 0.182 0.000 1.236 193 W CB 0.583 30.163 29.460 0.200 0.000 1.307 193 W HN 0.241 nan 8.180 nan 0.000 0.567 194 P HA 0.185 nan 4.420 nan 0.000 0.276 194 P C -0.513 176.735 177.300 -0.086 0.000 1.235 194 P CA -0.150 62.995 63.100 0.075 0.000 0.772 194 P CB 1.056 32.731 31.700 -0.042 0.000 0.871 195 R N 3.887 124.288 120.500 -0.166 0.000 2.534 195 R HA 0.625 4.966 4.340 0.002 0.000 0.301 195 R C -0.190 176.025 176.300 -0.141 0.000 0.961 195 R CA -0.863 55.012 56.100 -0.374 0.000 0.871 195 R CB 0.794 30.943 30.300 -0.251 0.000 1.170 195 R HN 0.564 nan 8.270 nan 0.000 0.446 196 I N -0.323 120.194 120.570 -0.088 0.000 2.797 196 I HA 0.516 4.687 4.170 0.002 0.000 0.307 196 I C -0.678 175.465 176.117 0.044 0.000 1.033 196 I CA -1.215 60.081 61.300 -0.006 0.000 1.071 196 I CB 1.908 39.915 38.000 0.012 0.000 1.255 196 I HN 0.406 nan 8.210 nan 0.000 0.445 197 D N 3.148 123.570 120.400 0.037 0.000 2.449 197 D HA 0.268 4.909 4.640 0.002 0.000 0.236 197 D C -0.048 176.287 176.300 0.058 0.000 1.149 197 D CA 0.379 54.408 54.000 0.048 0.000 0.878 197 D CB 1.274 42.079 40.800 0.008 0.000 1.198 197 D HN 0.755 nan 8.370 nan 0.000 0.446 198 A N 3.281 126.183 122.820 0.136 0.000 2.253 198 A HA 0.400 4.721 4.320 0.002 0.000 0.316 198 A C -2.062 175.619 177.584 0.162 0.000 1.327 198 A CA -1.295 50.891 52.037 0.248 0.000 0.917 198 A CB 0.659 19.980 19.000 0.536 0.000 1.162 198 A HN 0.278 nan 8.150 nan 0.000 0.535 199 P HA 0.158 nan 4.420 nan 0.000 0.220 199 P C -0.819 176.435 177.300 -0.077 0.000 1.806 199 P CA -0.083 62.875 63.100 -0.237 0.000 0.976 199 P CB -0.974 30.449 31.700 -0.461 0.000 1.952 200 Y N -1.144 119.144 120.300 -0.020 0.000 2.326 200 Y HA 0.404 4.956 4.550 0.003 0.000 0.333 200 Y C 0.864 176.683 175.900 -0.134 0.000 1.240 200 Y CA -1.648 56.278 58.100 -0.290 0.000 1.365 200 Y CB 0.058 38.198 38.460 -0.532 0.000 1.289 200 Y HN -0.117 nan 8.280 nan 0.000 0.548 201 M N 5.231 124.864 119.600 0.055 0.000 2.260 201 M HA 0.130 4.611 4.480 0.002 0.000 0.348 201 M C 0.002 176.378 176.300 0.128 0.000 1.342 201 M CA 0.857 56.189 55.300 0.054 0.000 1.040 201 M CB 0.254 32.890 32.600 0.060 0.000 1.810 201 M HN 0.829 nan 8.290 nan 0.000 0.453 202 R N 4.081 124.606 120.500 0.041 0.000 2.854 202 R HA 0.757 5.098 4.340 0.002 0.000 0.271 202 R C -3.032 173.290 176.300 0.037 0.000 0.994 202 R CA -2.018 54.127 56.100 0.075 0.000 0.945 202 R CB 0.509 30.842 30.300 0.056 0.000 1.194 202 R HN 0.292 nan 8.270 nan 0.000 0.476 203 P HA 0.115 nan 4.420 nan 0.000 0.275 203 P C 0.314 177.624 177.300 0.018 0.000 1.228 203 P CA 0.493 63.610 63.100 0.028 0.000 0.786 203 P CB 0.652 32.374 31.700 0.035 0.000 0.927 204 G N 0.659 109.466 108.800 0.011 0.000 2.225 204 G HA2 -0.177 3.784 3.960 0.002 0.000 0.264 204 G HA3 -0.177 3.784 3.960 0.002 0.000 0.264 204 G C -0.613 174.287 174.900 -0.000 0.000 1.060 204 G CA -0.300 44.804 45.100 0.006 0.000 0.833 204 G HN 0.470 nan 8.290 nan 0.000 0.498 205 L N 1.532 122.754 121.223 -0.003 0.000 2.406 205 L HA 0.545 4.887 4.340 0.002 0.000 0.272 205 L C -0.019 176.849 176.870 -0.003 0.000 0.980 205 L CA -1.045 53.790 54.840 -0.009 0.000 0.831 205 L CB 1.797 43.842 42.059 -0.024 0.000 1.253 205 L HN 0.369 nan 8.230 nan 0.000 0.406 206 D N 1.356 121.755 120.400 -0.001 0.000 2.387 206 D HA 0.164 4.806 4.640 0.002 0.000 0.255 206 D C 0.754 177.058 176.300 0.006 0.000 1.081 206 D CA -0.516 53.486 54.000 0.004 0.000 0.994 206 D CB 1.059 41.862 40.800 0.005 0.000 1.127 206 D HN 0.429 nan 8.370 nan 0.000 0.513 207 E N -0.042 120.166 120.200 0.013 0.000 2.170 207 E HA -0.225 4.126 4.350 0.002 0.000 0.229 207 E C -1.010 175.599 176.600 0.015 0.000 1.074 207 E CA 2.838 59.249 56.400 0.018 0.000 0.930 207 E CB -1.274 28.439 29.700 0.021 0.000 0.806 207 E HN 0.464 nan 8.360 nan 0.000 0.478 208 P HA -0.207 nan 4.420 nan 0.000 0.215 208 P C 0.941 178.242 177.300 0.002 0.000 1.157 208 P CA 2.283 65.388 63.100 0.008 0.000 0.874 208 P CB -0.122 31.582 31.700 0.006 0.000 0.790 209 A N -1.343 121.475 122.820 -0.003 0.000 1.930 209 A HA -0.175 4.146 4.320 0.002 0.000 0.217 209 A C 2.146 179.717 177.584 -0.021 0.000 1.175 209 A CA 1.686 53.715 52.037 -0.013 0.000 0.627 209 A CB -1.337 17.653 19.000 -0.016 0.000 0.815 209 A HN 0.035 nan 8.150 nan 0.000 0.443 210 M N -0.254 119.337 119.600 -0.014 0.000 2.086 210 M HA -0.071 4.411 4.480 0.002 0.000 0.261 210 M C 2.495 178.792 176.300 -0.006 0.000 1.067 210 M CA 1.491 56.781 55.300 -0.017 0.000 1.116 210 M CB -1.555 31.048 32.600 0.004 0.000 1.348 210 M HN 0.472 nan 8.290 nan 0.000 0.407 211 A N -0.147 122.679 122.820 0.010 0.000 1.940 211 A HA -0.036 4.285 4.320 0.002 0.000 0.219 211 A C 2.390 179.981 177.584 0.012 0.000 1.176 211 A CA 2.187 54.237 52.037 0.022 0.000 0.631 211 A CB -0.940 18.076 19.000 0.025 0.000 0.814 211 A HN 0.490 nan 8.150 nan 0.000 0.446 212 A N -0.767 122.052 122.820 -0.001 0.000 1.898 212 A HA 0.004 4.325 4.320 0.002 0.000 0.216 212 A C 2.106 179.679 177.584 -0.020 0.000 1.181 212 A CA 1.641 53.674 52.037 -0.006 0.000 0.620 212 A CB -0.578 18.416 19.000 -0.010 0.000 0.819 212 A HN 0.484 nan 8.150 nan 0.000 0.442 213 L N 0.108 121.307 121.223 -0.040 0.000 1.989 213 L HA -0.191 4.151 4.340 0.002 0.000 0.211 213 L C 2.375 179.199 176.870 -0.078 0.000 1.071 213 L CA 2.429 57.225 54.840 -0.073 0.000 0.749 213 L CB -0.666 41.326 42.059 -0.111 0.000 0.890 213 L HN 0.532 nan 8.230 nan 0.000 0.431 214 E N -0.870 119.295 120.200 -0.059 0.000 2.058 214 E HA -0.270 4.082 4.350 0.002 0.000 0.194 214 E C 2.177 178.809 176.600 0.054 0.000 0.997 214 E CA 1.252 57.641 56.400 -0.018 0.000 0.801 214 E CB -0.390 29.355 29.700 0.075 0.000 0.746 214 E HN 0.610 nan 8.360 nan 0.000 0.450 215 A N 1.295 124.138 122.820 0.039 0.000 1.940 215 A HA -0.283 4.038 4.320 0.002 0.000 0.219 215 A C 2.097 179.699 177.584 0.030 0.000 1.176 215 A CA 1.924 53.985 52.037 0.041 0.000 0.631 215 A CB -0.439 18.576 19.000 0.026 0.000 0.814 215 A HN 0.191 nan 8.150 nan 0.000 0.446 216 E N 0.254 120.460 120.200 0.010 0.000 2.072 216 E HA 0.009 4.361 4.350 0.002 0.000 0.190 216 E C 1.991 178.596 176.600 0.008 0.000 0.982 216 E CA 1.545 57.947 56.400 0.002 0.000 0.803 216 E CB -0.531 29.160 29.700 -0.015 0.000 0.755 216 E HN 0.437 nan 8.360 nan 0.000 0.453 217 A N 0.560 123.384 122.820 0.006 0.000 1.902 217 A HA -0.126 4.195 4.320 0.002 0.000 0.217 217 A C 2.082 179.718 177.584 0.087 0.000 1.181 217 A CA 1.419 53.477 52.037 0.034 0.000 0.623 217 A CB -0.696 18.291 19.000 -0.021 0.000 0.818 217 A HN 0.348 nan 8.150 nan 0.000 0.443 218 L N -0.267 121.028 121.223 0.119 0.000 2.083 218 L HA -0.100 4.241 4.340 0.002 0.000 0.209 218 L C 2.509 179.407 176.870 0.046 0.000 1.083 218 L CA 1.818 56.707 54.840 0.083 0.000 0.752 218 L CB -1.110 41.001 42.059 0.086 0.000 0.899 218 L HN 0.472 nan 8.230 nan 0.000 0.433 219 R N -0.586 119.937 120.500 0.038 0.000 2.073 219 R HA -0.179 4.162 4.340 0.002 0.000 0.234 219 R C 2.179 178.486 176.300 0.011 0.000 1.134 219 R CA 1.513 57.629 56.100 0.026 0.000 0.952 219 R CB -0.050 30.261 30.300 0.020 0.000 0.850 219 R HN 0.480 nan 8.270 nan 0.000 0.433 220 Q N -0.450 119.352 119.800 0.003 0.000 2.135 220 Q HA -0.143 4.199 4.340 0.002 0.000 0.204 220 Q C 2.087 178.058 176.000 -0.049 0.000 0.981 220 Q CA 1.731 57.523 55.803 -0.018 0.000 0.856 220 Q CB -0.119 28.611 28.738 -0.014 0.000 0.902 220 Q HN 0.405 nan 8.270 nan 0.000 0.425 221 A N 1.243 124.040 122.820 -0.040 0.000 1.873 221 A HA -0.218 4.104 4.320 0.002 0.000 0.215 221 A C 2.036 179.602 177.584 -0.030 0.000 1.186 221 A CA 1.563 53.547 52.037 -0.088 0.000 0.616 221 A CB -0.521 18.434 19.000 -0.074 0.000 0.823 221 A HN 0.247 nan 8.150 nan 0.000 0.442 222 R N -0.320 120.210 120.500 0.050 0.000 2.081 222 R HA -0.107 4.234 4.340 0.002 0.000 0.235 222 R C 2.258 178.543 176.300 -0.025 0.000 1.131 222 R CA 1.594 57.738 56.100 0.074 0.000 0.960 222 R CB -0.448 29.913 30.300 0.101 0.000 0.856 222 R HN 0.425 nan 8.270 nan 0.000 0.436 223 A N 0.644 123.445 122.820 -0.032 0.000 1.902 223 A HA -0.119 4.202 4.320 0.002 0.000 0.217 223 A C 2.379 179.903 177.584 -0.100 0.000 1.181 223 A CA 1.723 53.732 52.037 -0.047 0.000 0.623 223 A CB -0.897 18.085 19.000 -0.030 0.000 0.818 223 A HN 0.559 nan 8.150 nan 0.000 0.443 224 A N -1.022 121.703 122.820 -0.158 0.000 1.883 224 A HA -0.039 4.282 4.320 0.002 0.000 0.217 224 A C 1.947 179.346 177.584 -0.309 0.000 1.186 224 A CA 1.656 53.551 52.037 -0.238 0.000 0.624 224 A CB -0.800 18.003 19.000 -0.328 0.000 0.822 224 A HN 0.451 nan 8.150 nan 0.000 0.444 225 F N 0.185 119.898 119.950 -0.395 0.000 2.134 225 F HA -0.126 4.402 4.527 0.002 0.000 0.299 225 F C 2.463 177.924 175.800 -0.564 0.000 1.097 225 F CA 1.856 59.454 58.000 -0.669 0.000 1.264 225 F CB -0.423 37.698 39.000 -1.465 0.000 1.001 225 F HN 0.326 nan 8.300 nan 0.000 0.479 226 E N -0.955 119.107 120.200 -0.229 0.000 2.216 226 E HA -0.115 4.236 4.350 0.002 0.000 0.192 226 E C 1.941 178.510 176.600 -0.052 0.000 0.988 226 E CA 1.510 57.862 56.400 -0.080 0.000 0.834 226 E CB -0.187 29.519 29.700 0.010 0.000 0.772 226 E HN 0.421 nan 8.360 nan 0.000 0.479 227 T N -1.655 112.858 114.554 -0.067 0.000 3.081 227 T HA 0.150 4.502 4.350 0.002 0.000 0.250 227 T C 1.068 175.745 174.700 -0.038 0.000 1.100 227 T CA -0.149 61.926 62.100 -0.041 0.000 1.038 227 T CB 0.147 68.995 68.868 -0.034 0.000 0.962 227 T HN -0.085 nan 8.240 nan 0.000 0.516 228 R N 1.688 122.151 120.500 -0.061 0.000 2.738 228 R HA 0.315 4.656 4.340 0.002 0.000 0.280 228 R C -3.100 173.175 176.300 -0.042 0.000 1.456 228 R CA -1.712 54.365 56.100 -0.039 0.000 1.612 228 R CB 0.750 31.020 30.300 -0.050 0.000 1.286 228 R HN 0.254 nan 8.270 nan 0.000 0.660 229 P HA -0.050 nan 4.420 nan 0.000 0.264 229 P C -0.306 176.908 177.300 -0.144 0.000 1.193 229 P CA 0.407 63.384 63.100 -0.205 0.000 0.763 229 P CB 0.372 31.928 31.700 -0.240 0.000 0.810 230 H N 0.116 119.270 119.070 0.139 0.000 3.366 230 H HA -0.205 4.353 4.556 0.003 0.000 0.233 230 H C 0.530 175.919 175.328 0.102 0.000 1.102 230 H CA 1.292 57.416 56.048 0.126 0.000 1.184 230 H CB -1.844 27.974 29.762 0.094 0.000 1.216 230 H HN 0.472 nan 8.280 nan 0.000 0.317 231 D N 0.348 120.833 120.400 0.142 0.000 2.407 231 D HA 0.231 4.873 4.640 0.002 0.000 0.208 231 D C 0.752 177.081 176.300 0.049 0.000 1.083 231 D CA 0.049 54.103 54.000 0.089 0.000 0.844 231 D CB 0.495 41.330 40.800 0.058 0.000 0.967 231 D HN 0.380 nan 8.370 nan 0.000 0.506 232 I N 1.170 121.779 120.570 0.064 0.000 2.297 232 I HA 0.257 4.429 4.170 0.002 0.000 0.291 232 I C 1.235 177.412 176.117 0.100 0.000 1.033 232 I CA -0.485 60.815 61.300 0.001 0.000 1.253 232 I CB 1.864 39.772 38.000 -0.153 0.000 1.396 232 I HN -0.118 nan 8.210 nan 0.000 0.476 233 A N 6.051 128.887 122.820 0.027 0.000 2.021 233 A HA 0.081 4.403 4.320 0.002 0.000 0.216 233 A C 0.782 178.348 177.584 -0.030 0.000 1.163 233 A CA 0.767 52.837 52.037 0.056 0.000 0.676 233 A CB -0.189 18.839 19.000 0.047 0.000 0.818 233 A HN 0.847 nan 8.150 nan 0.000 0.453 234 C N -4.910 114.330 119.300 -0.100 0.000 3.292 234 C HA 0.703 5.164 4.460 0.002 0.000 0.338 234 C C -1.144 173.817 174.990 -0.048 0.000 1.323 234 C CA -1.439 57.502 59.018 -0.129 0.000 1.232 234 C CB 0.379 27.932 27.740 -0.312 0.000 1.517 234 C HN 0.546 nan 8.230 nan 0.000 0.470 235 F N 1.909 121.756 119.950 -0.172 0.000 2.458 235 F HA 0.803 5.332 4.527 0.003 0.000 0.336 235 F C -0.605 175.074 175.800 -0.202 0.000 1.114 235 F CA -0.981 56.931 58.000 -0.146 0.000 0.987 235 F CB 1.572 40.529 39.000 -0.071 0.000 1.130 235 F HN 0.702 nan 8.300 nan 0.000 0.458 236 V N 4.952 124.401 119.914 -0.776 0.000 2.555 236 V HA 0.950 5.072 4.120 0.002 0.000 0.302 236 V C -0.392 175.214 176.094 -0.814 0.000 1.038 236 V CA -0.575 61.287 62.300 -0.730 0.000 0.887 236 V CB 0.933 32.389 31.823 -0.613 0.000 0.991 236 V HN 1.105 nan 8.190 nan 0.000 0.434 237 A N 2.932 125.468 122.820 -0.475 0.000 2.594 237 A HA 0.750 5.071 4.320 0.002 0.000 0.295 237 A C -0.855 176.899 177.584 0.282 0.000 1.071 237 A CA -0.773 51.250 52.037 -0.023 0.000 0.685 237 A CB 1.309 20.334 19.000 0.043 0.000 1.285 237 A HN 0.816 nan 8.150 nan 0.000 0.405 238 E N 1.918 122.346 120.200 0.381 0.000 2.316 238 E HA 0.266 4.617 4.350 0.002 0.000 0.275 238 E C -1.695 175.103 176.600 0.329 0.000 1.029 238 E CA -1.614 54.978 56.400 0.319 0.000 0.871 238 E CB 0.986 30.847 29.700 0.269 0.000 1.022 238 E HN 0.361 nan 8.360 nan 0.000 0.418 239 P HA -0.085 nan 4.420 nan 0.000 0.220 239 P C -0.177 177.345 177.300 0.370 0.000 1.148 239 P CA 1.241 64.324 63.100 -0.028 0.000 0.803 239 P CB 0.328 31.797 31.700 -0.385 0.000 0.782 240 I N -1.013 119.689 120.570 0.219 0.000 2.512 240 I HA 0.194 4.366 4.170 0.002 0.000 0.287 240 I C -0.140 176.033 176.117 0.094 0.000 1.069 240 I CA -0.776 60.562 61.300 0.064 0.000 1.056 240 I CB 2.253 40.092 38.000 -0.268 0.000 1.229 240 I HN -0.316 nan 8.210 nan 0.000 0.429 241 Q N 3.580 123.453 119.800 0.121 0.000 2.286 241 Q HA 0.229 4.570 4.340 0.002 0.000 0.267 241 Q C 0.905 176.901 176.000 -0.007 0.000 1.028 241 Q CA 0.096 55.965 55.803 0.111 0.000 0.901 241 Q CB 1.697 30.522 28.738 0.144 0.000 1.183 241 Q HN 0.929 nan 8.270 nan 0.000 0.392 242 G N 2.412 111.217 108.800 0.009 0.000 2.655 242 G HA2 -0.154 3.807 3.960 0.002 0.000 0.217 242 G HA3 -0.154 3.807 3.960 0.002 0.000 0.217 242 G C 0.875 175.736 174.900 -0.064 0.000 1.279 242 G CA -0.004 45.077 45.100 -0.032 0.000 0.870 242 G HN 0.529 nan 8.290 nan 0.000 0.560 243 E N 1.063 121.204 120.200 -0.098 0.000 2.160 243 E HA -0.096 4.255 4.350 0.002 0.000 0.195 243 E C 2.554 179.117 176.600 -0.061 0.000 0.991 243 E CA 1.077 57.385 56.400 -0.153 0.000 0.810 243 E CB -0.780 28.696 29.700 -0.373 0.000 0.742 243 E HN 0.376 nan 8.360 nan 0.000 0.466 244 G N -0.036 108.760 108.800 -0.007 0.000 2.598 244 G HA2 0.076 4.038 3.960 0.002 0.000 0.215 244 G HA3 0.076 4.038 3.960 0.002 0.000 0.215 244 G C 0.940 175.797 174.900 -0.072 0.000 1.131 244 G CA 0.612 45.712 45.100 -0.001 0.000 0.785 244 G HN 0.430 nan 8.290 nan 0.000 0.539 245 G N -0.035 108.708 108.800 -0.095 0.000 2.263 245 G HA2 0.029 3.990 3.960 0.002 0.000 0.207 245 G HA3 0.029 3.990 3.960 0.002 0.000 0.207 245 G C -0.248 174.577 174.900 -0.125 0.000 1.072 245 G CA -0.059 44.969 45.100 -0.121 0.000 0.800 245 G HN 0.228 nan 8.290 nan 0.000 0.491 246 D N -0.598 119.743 120.400 -0.098 0.000 2.803 246 D HA -0.158 4.483 4.640 0.002 0.000 0.233 246 D C 0.720 176.975 176.300 -0.075 0.000 1.182 246 D CA 1.326 55.283 54.000 -0.070 0.000 0.726 246 D CB -0.407 40.411 40.800 0.031 0.000 0.987 246 D HN 0.829 nan 8.370 nan 0.000 0.412 247 R N 1.361 121.725 120.500 -0.226 0.000 2.255 247 R HA 0.424 4.765 4.340 0.002 0.000 0.326 247 R C 0.188 176.236 176.300 -0.420 0.000 0.986 247 R CA -0.512 55.366 56.100 -0.371 0.000 0.847 247 R CB 1.327 31.201 30.300 -0.711 0.000 1.111 247 R HN 0.318 nan 8.270 nan 0.000 0.452 248 H N 2.556 121.422 119.070 -0.340 0.000 2.502 248 H HA 0.331 4.888 4.556 0.002 0.000 0.338 248 H C -0.573 174.545 175.328 -0.349 0.000 1.155 248 H CA -0.344 55.577 56.048 -0.212 0.000 1.237 248 H CB 1.428 31.175 29.762 -0.025 0.000 1.534 248 H HN 0.301 nan 8.280 nan 0.000 0.523 249 F N 0.409 120.557 119.950 0.330 0.000 2.546 249 F HA 0.368 4.896 4.527 0.002 0.000 0.320 249 F C 0.737 176.676 175.800 0.232 0.000 1.076 249 F CA -1.013 57.118 58.000 0.218 0.000 0.928 249 F CB 1.278 40.364 39.000 0.142 0.000 1.189 249 F HN 0.245 nan 8.300 nan 0.000 0.465 250 R N 2.289 122.999 120.500 0.350 0.000 2.594 250 R HA 0.144 4.485 4.340 0.002 0.000 0.272 250 R C -1.781 174.718 176.300 0.333 0.000 1.074 250 R CA -1.272 54.995 56.100 0.279 0.000 1.105 250 R CB 0.160 30.575 30.300 0.192 0.000 1.008 250 R HN 0.310 nan 8.270 nan 0.000 0.472 251 P HA -0.185 nan 4.420 nan 0.000 0.216 251 P C 0.462 177.923 177.300 0.267 0.000 1.150 251 P CA 1.280 64.573 63.100 0.323 0.000 0.843 251 P CB 0.275 32.112 31.700 0.228 0.000 0.787 252 E N -1.464 118.857 120.200 0.202 0.000 2.097 252 E HA -0.202 4.150 4.350 0.002 0.000 0.196 252 E C 1.688 178.381 176.600 0.154 0.000 1.000 252 E CA 1.014 57.507 56.400 0.155 0.000 0.804 252 E CB -1.119 28.659 29.700 0.131 0.000 0.740 252 E HN 0.256 nan 8.360 nan 0.000 0.454 253 F N -0.066 119.886 119.950 0.003 0.000 2.102 253 F HA -0.171 4.357 4.527 0.002 0.000 0.298 253 F C 1.651 177.390 175.800 -0.101 0.000 1.105 253 F CA 1.268 59.195 58.000 -0.121 0.000 1.239 253 F CB -0.278 38.568 39.000 -0.257 0.000 0.991 253 F HN -0.037 nan 8.300 nan 0.000 0.474 254 F N 0.574 120.484 119.950 -0.068 0.000 2.206 254 F HA 0.063 4.592 4.527 0.003 0.000 0.298 254 F C 2.610 178.361 175.800 -0.081 0.000 1.090 254 F CA 0.929 58.855 58.000 -0.123 0.000 1.323 254 F CB -1.556 37.582 39.000 0.231 0.000 1.028 254 F HN 0.079 nan 8.300 nan 0.000 0.492 255 A N 0.163 123.086 122.820 0.172 0.000 1.908 255 A HA -0.120 4.202 4.320 0.002 0.000 0.218 255 A C 2.465 180.051 177.584 0.003 0.000 1.181 255 A CA 1.966 54.059 52.037 0.092 0.000 0.627 255 A CB -1.295 17.766 19.000 0.102 0.000 0.818 255 A HN 0.297 nan 8.150 nan 0.000 0.445 256 A N -1.025 121.771 122.820 -0.040 0.000 1.902 256 A HA -0.116 4.205 4.320 0.002 0.000 0.217 256 A C 2.168 179.657 177.584 -0.158 0.000 1.181 256 A CA 1.976 53.965 52.037 -0.081 0.000 0.623 256 A CB -0.474 18.491 19.000 -0.059 0.000 0.818 256 A HN 0.422 nan 8.150 nan 0.000 0.443 257 M N -0.807 118.615 119.600 -0.298 0.000 2.159 257 M HA -0.111 4.370 4.480 0.002 0.000 0.263 257 M C 2.140 178.328 176.300 -0.186 0.000 1.063 257 M CA 1.656 56.738 55.300 -0.363 0.000 1.110 257 M CB -1.206 31.016 32.600 -0.630 0.000 1.374 257 M HN 0.486 nan 8.290 nan 0.000 0.411 258 R N 1.205 121.643 120.500 -0.103 0.000 2.091 258 R HA -0.133 4.208 4.340 0.002 0.000 0.238 258 R C 1.778 178.021 176.300 -0.095 0.000 1.136 258 R CA 1.910 57.961 56.100 -0.082 0.000 0.959 258 R CB -0.718 29.562 30.300 -0.034 0.000 0.856 258 R HN 0.500 nan 8.270 nan 0.000 0.437 259 E N -0.419 119.730 120.200 -0.084 0.000 2.107 259 E HA -0.147 4.205 4.350 0.002 0.000 0.191 259 E C 1.899 178.430 176.600 -0.115 0.000 0.982 259 E CA 1.122 57.470 56.400 -0.087 0.000 0.809 259 E CB -0.182 29.480 29.700 -0.064 0.000 0.756 259 E HN 0.165 nan 8.360 nan 0.000 0.459 260 L N 0.684 121.841 121.223 -0.111 0.000 2.056 260 L HA -0.175 4.167 4.340 0.002 0.000 0.207 260 L C 2.267 179.009 176.870 -0.213 0.000 1.078 260 L CA 1.469 56.244 54.840 -0.108 0.000 0.749 260 L CB -0.398 41.632 42.059 -0.048 0.000 0.901 260 L HN 0.207 nan 8.230 nan 0.000 0.433 261 C N -0.275 118.915 119.300 -0.184 0.000 2.398 261 C HA -0.202 4.259 4.460 0.002 0.000 0.276 261 C C 2.389 177.263 174.990 -0.193 0.000 1.222 261 C CA 1.085 59.997 59.018 -0.177 0.000 1.746 261 C CB -1.080 26.610 27.740 -0.082 0.000 2.039 261 C HN 0.589 nan 8.230 nan 0.000 0.470 262 D N -0.027 120.272 120.400 -0.169 0.000 2.117 262 D HA -0.121 4.521 4.640 0.002 0.000 0.198 262 D C 2.149 178.335 176.300 -0.191 0.000 0.982 262 D CA 1.022 54.930 54.000 -0.153 0.000 0.828 262 D CB -0.589 40.137 40.800 -0.123 0.000 0.967 262 D HN 0.628 nan 8.370 nan 0.000 0.464 263 E N -0.694 119.351 120.200 -0.258 0.000 2.118 263 E HA -0.159 4.193 4.350 0.002 0.000 0.195 263 E C 0.796 177.036 176.600 -0.601 0.000 0.992 263 E CA 0.759 56.909 56.400 -0.418 0.000 0.804 263 E CB -0.032 29.372 29.700 -0.494 0.000 0.741 263 E HN 0.236 nan 8.360 nan 0.000 0.458 264 F N 1.123 120.835 119.950 -0.396 0.000 2.639 264 F HA 0.138 4.665 4.527 0.001 0.000 0.300 264 F C -0.182 175.501 175.800 -0.195 0.000 1.109 264 F CA -0.131 57.639 58.000 -0.382 0.000 1.335 264 F CB 0.516 39.021 39.000 -0.826 0.000 1.014 264 F HN -0.150 nan 8.300 nan 0.000 0.537 265 D N 1.273 121.644 120.400 -0.049 0.000 2.735 265 D HA -0.182 4.459 4.640 0.002 0.000 0.235 265 D C 0.084 176.452 176.300 0.113 0.000 1.175 265 D CA 0.879 54.877 54.000 -0.003 0.000 0.683 265 D CB -0.738 40.010 40.800 -0.088 0.000 1.008 265 D HN 0.316 nan 8.370 nan 0.000 0.416 266 A N 0.612 123.443 122.820 0.018 0.000 2.386 266 A HA 0.712 5.033 4.320 0.002 0.000 0.311 266 A C 0.217 177.696 177.584 -0.174 0.000 1.068 266 A CA -0.726 51.334 52.037 0.038 0.000 0.743 266 A CB 1.329 20.476 19.000 0.246 0.000 1.258 266 A HN 0.209 nan 8.150 nan 0.000 0.429 267 L N 1.434 122.471 121.223 -0.310 0.000 2.417 267 L HA 0.386 4.727 4.340 0.002 0.000 0.268 267 L C -0.220 176.478 176.870 -0.287 0.000 1.158 267 L CA -0.393 54.184 54.840 -0.439 0.000 0.819 267 L CB 0.970 42.674 42.059 -0.591 0.000 1.112 267 L HN 0.703 nan 8.230 nan 0.000 0.458 268 L N 4.031 125.058 121.223 -0.326 0.000 2.287 268 L HA 0.517 4.859 4.340 0.002 0.000 0.287 268 L C -0.493 176.078 176.870 -0.498 0.000 1.022 268 L CA -0.424 54.212 54.840 -0.341 0.000 0.814 268 L CB 1.454 43.306 42.059 -0.345 0.000 1.217 268 L HN 0.526 nan 8.230 nan 0.000 0.420 269 I N 3.316 123.573 120.570 -0.522 0.000 2.378 269 I HA 0.514 4.685 4.170 0.002 0.000 0.291 269 I C -1.498 174.301 176.117 -0.531 0.000 0.992 269 I CA 0.063 61.064 61.300 -0.497 0.000 1.154 269 I CB 1.075 38.840 38.000 -0.392 0.000 1.315 269 I HN 0.343 nan 8.210 nan 0.000 0.448 270 F N 5.336 125.107 119.950 -0.298 0.000 2.410 270 F HA 0.355 4.883 4.527 0.002 0.000 0.349 270 F C 0.315 176.038 175.800 -0.128 0.000 1.117 270 F CA -0.498 57.363 58.000 -0.231 0.000 1.104 270 F CB 0.930 39.799 39.000 -0.219 0.000 1.122 270 F HN 0.497 nan 8.300 nan 0.000 0.483 271 D N 3.674 124.189 120.400 0.190 0.000 2.393 271 D HA 0.071 4.713 4.640 0.002 0.000 0.232 271 D C 0.226 176.669 176.300 0.237 0.000 1.192 271 D CA 0.141 54.259 54.000 0.195 0.000 0.882 271 D CB 0.463 41.451 40.800 0.313 0.000 1.038 271 D HN 0.551 nan 8.370 nan 0.000 0.499 272 E N 2.870 123.221 120.200 0.250 0.000 2.437 272 E HA 0.039 4.391 4.350 0.002 0.000 0.195 272 E C 1.646 178.471 176.600 0.374 0.000 1.029 272 E CA -0.093 56.503 56.400 0.326 0.000 0.948 272 E CB 0.916 30.890 29.700 0.456 0.000 1.082 272 E HN 0.353 nan 8.360 nan 0.000 0.456 273 V N 0.936 121.035 119.914 0.309 0.000 2.324 273 V HA -0.311 3.810 4.120 0.002 0.000 0.250 273 V C 2.428 178.671 176.094 0.248 0.000 1.060 273 V CA 2.135 64.614 62.300 0.298 0.000 1.042 273 V CB -0.275 31.696 31.823 0.247 0.000 0.650 273 V HN 0.317 nan 8.190 nan 0.000 0.450 274 Q N -0.561 119.359 119.800 0.199 0.000 2.297 274 Q HA -0.101 4.240 4.340 0.002 0.000 0.203 274 Q C 2.221 178.291 176.000 0.117 0.000 0.931 274 Q CA 1.357 57.241 55.803 0.135 0.000 0.885 274 Q CB 0.148 28.939 28.738 0.089 0.000 0.991 274 Q HN 0.816 nan 8.270 nan 0.000 0.498 275 T N -2.672 111.965 114.554 0.139 0.000 3.067 275 T HA 0.176 4.527 4.350 0.002 0.000 0.261 275 T C 0.956 175.716 174.700 0.101 0.000 1.110 275 T CA 0.265 62.425 62.100 0.100 0.000 1.113 275 T CB 0.094 69.014 68.868 0.087 0.000 0.917 275 T HN 0.221 nan 8.240 nan 0.000 0.499 276 G N -0.421 108.497 108.800 0.197 0.000 2.588 276 G HA2 0.367 4.328 3.960 0.002 0.000 0.281 276 G HA3 0.367 4.328 3.960 0.002 0.000 0.281 276 G C 0.359 175.167 174.900 -0.153 0.000 1.236 276 G CA -0.171 45.023 45.100 0.156 0.000 0.969 276 G HN 0.727 nan 8.290 nan 0.000 0.504 277 C N -0.693 118.262 119.300 -0.574 0.000 4.300 277 C HA -0.053 4.408 4.460 0.002 0.000 0.304 277 C C 1.855 176.724 174.990 -0.201 0.000 1.367 277 C CA 1.230 59.989 59.018 -0.431 0.000 2.032 277 C CB -1.787 25.848 27.740 -0.176 0.000 1.285 277 C HN 2.828 nan 8.230 nan 0.000 0.737 278 G N -0.706 107.850 108.800 -0.408 0.000 2.217 278 G HA2 -0.293 3.668 3.960 0.002 0.000 0.246 278 G HA3 -0.293 3.668 3.960 0.002 0.000 0.246 278 G C 0.566 175.393 174.900 -0.121 0.000 0.990 278 G CA 0.393 45.323 45.100 -0.283 0.000 0.627 278 G HN 1.464 nan 8.290 nan 0.000 0.522 279 L N 1.942 123.110 121.223 -0.092 0.000 2.079 279 L HA 0.089 4.431 4.340 0.002 0.000 0.210 279 L C 2.931 179.786 176.870 -0.025 0.000 1.081 279 L CA 3.486 58.309 54.840 -0.029 0.000 0.752 279 L CB -0.608 41.447 42.059 -0.006 0.000 0.896 279 L HN 0.693 nan 8.230 nan 0.000 0.433 280 T N -4.230 110.285 114.554 -0.065 0.000 3.129 280 T HA 0.363 4.714 4.350 0.002 0.000 0.251 280 T C 1.392 176.058 174.700 -0.058 0.000 1.117 280 T CA 0.408 62.486 62.100 -0.036 0.000 1.034 280 T CB 0.046 68.895 68.868 -0.032 0.000 0.968 280 T HN 0.602 nan 8.240 nan 0.000 0.526 281 G N 0.959 109.699 108.800 -0.102 0.000 2.218 281 G HA2 -0.156 3.805 3.960 0.002 0.000 0.216 281 G HA3 -0.156 3.805 3.960 0.002 0.000 0.216 281 G C 0.238 175.010 174.900 -0.214 0.000 0.994 281 G CA 0.085 45.134 45.100 -0.085 0.000 0.637 281 G HN 1.157 nan 8.290 nan 0.000 0.505 282 T N -2.441 111.870 114.554 -0.405 0.000 2.930 282 T HA 0.822 5.174 4.350 0.002 0.000 0.290 282 T C 1.545 175.562 174.700 -1.138 0.000 1.052 282 T CA 0.458 62.173 62.100 -0.641 0.000 1.017 282 T CB 1.701 70.341 68.868 -0.381 0.000 1.137 282 T HN 1.438 nan 8.240 nan 0.000 0.511 283 A N 0.322 122.260 122.820 -1.469 0.000 1.915 283 A HA -0.001 4.320 4.320 0.002 0.000 0.220 283 A C 0.244 177.008 177.584 -1.367 0.000 1.198 283 A CA 1.079 52.209 52.037 -1.511 0.000 0.647 283 A CB -1.000 17.373 19.000 -1.046 0.000 0.825 283 A HN 0.824 nan 8.150 nan 0.000 0.456 284 W N -4.339 116.665 121.300 -0.494 0.000 2.936 284 W HA 0.631 5.292 4.660 0.002 0.000 0.338 284 W C 0.909 177.174 176.519 -0.424 0.000 1.121 284 W CA -0.436 56.669 57.345 -0.400 0.000 1.209 284 W CB 1.660 30.833 29.460 -0.478 0.000 1.420 284 W HN 0.114 nan 8.180 nan 0.000 0.516 285 A N 1.363 124.166 122.820 -0.028 0.000 1.933 285 A HA -0.254 4.068 4.320 0.002 0.000 0.218 285 A C 1.726 179.222 177.584 -0.147 0.000 1.175 285 A CA 2.139 54.121 52.037 -0.090 0.000 0.628 285 A CB -1.239 17.730 19.000 -0.052 0.000 0.814 285 A HN 0.880 nan 8.150 nan 0.000 0.444 286 Y N -0.035 120.153 120.300 -0.187 0.000 2.315 286 Y HA -0.189 4.362 4.550 0.002 0.000 0.288 286 Y C 1.962 177.831 175.900 -0.052 0.000 1.154 286 Y CA 1.518 59.455 58.100 -0.273 0.000 1.229 286 Y CB -0.931 37.347 38.460 -0.304 0.000 0.980 286 Y HN 0.403 nan 8.280 nan 0.000 0.540 287 Q N 0.337 119.835 119.800 -0.502 0.000 2.291 287 Q HA -0.181 4.161 4.340 0.002 0.000 0.206 287 Q C 1.983 177.927 176.000 -0.093 0.000 0.976 287 Q CA 1.686 57.318 55.803 -0.284 0.000 0.875 287 Q CB -0.163 28.364 28.738 -0.353 0.000 0.927 287 Q HN 0.722 nan 8.270 nan 0.000 0.450 288 Q N -0.347 119.406 119.800 -0.078 0.000 2.402 288 Q HA 0.071 4.412 4.340 0.002 0.000 0.206 288 Q C 1.583 177.614 176.000 0.051 0.000 0.919 288 Q CA 0.315 56.111 55.803 -0.011 0.000 0.923 288 Q CB 0.459 29.189 28.738 -0.013 0.000 1.048 288 Q HN 0.361 nan 8.270 nan 0.000 0.515 289 L N -0.099 121.167 121.223 0.072 0.000 2.509 289 L HA 0.061 4.403 4.340 0.002 0.000 0.222 289 L C -0.016 176.953 176.870 0.165 0.000 1.123 289 L CA 0.059 54.987 54.840 0.147 0.000 0.856 289 L CB 0.094 42.252 42.059 0.166 0.000 0.985 289 L HN 0.188 nan 8.230 nan 0.000 0.456 290 D N 0.202 120.687 120.400 0.142 0.000 2.723 290 D HA -0.154 4.487 4.640 0.002 0.000 0.236 290 D C -0.773 175.631 176.300 0.174 0.000 1.138 290 D CA 0.365 54.451 54.000 0.143 0.000 0.676 290 D CB -0.481 40.384 40.800 0.108 0.000 1.069 290 D HN -0.028 nan 8.370 nan 0.000 0.430 291 V N 0.228 120.285 119.914 0.238 0.000 2.540 291 V HA 0.774 4.895 4.120 0.002 0.000 0.302 291 V C 0.465 176.702 176.094 0.238 0.000 1.035 291 V CA -0.487 61.956 62.300 0.239 0.000 0.873 291 V CB 1.929 33.950 31.823 0.330 0.000 0.992 291 V HN 0.301 nan 8.190 nan 0.000 0.428 292 A N 7.770 130.645 122.820 0.092 0.000 2.279 292 A HA 0.785 5.107 4.320 0.002 0.000 0.306 292 A C -2.240 175.241 177.584 -0.172 0.000 1.300 292 A CA -1.393 50.633 52.037 -0.019 0.000 0.925 292 A CB 0.245 19.235 19.000 -0.017 0.000 1.152 292 A HN 0.599 nan 8.150 nan 0.000 0.544 293 P HA 0.247 nan 4.420 nan 0.000 0.278 293 P C -0.418 176.653 177.300 -0.381 0.000 1.258 293 P CA -0.290 62.534 63.100 -0.461 0.000 0.811 293 P CB 1.210 32.572 31.700 -0.562 0.000 1.063 294 D N -0.089 120.081 120.400 -0.383 0.000 2.271 294 D HA 0.087 4.728 4.640 0.002 0.000 0.206 294 D C 0.742 176.850 176.300 -0.320 0.000 0.967 294 D CA 1.125 54.920 54.000 -0.342 0.000 0.867 294 D CB 0.450 41.005 40.800 -0.408 0.000 0.960 294 D HN 0.319 nan 8.370 nan 0.000 0.509 295 I N -0.546 119.817 120.570 -0.344 0.000 2.752 295 I HA 0.301 4.472 4.170 0.002 0.000 0.295 295 I C -1.856 174.091 176.117 -0.283 0.000 1.219 295 I CA -0.808 60.321 61.300 -0.285 0.000 1.030 295 I CB 2.597 40.459 38.000 -0.229 0.000 1.259 295 I HN -0.378 nan 8.210 nan 0.000 0.423 296 V N 6.515 126.292 119.914 -0.229 0.000 2.487 296 V HA 0.871 4.992 4.120 0.002 0.000 0.298 296 V C 0.255 176.295 176.094 -0.090 0.000 1.028 296 V CA -0.321 61.867 62.300 -0.185 0.000 0.860 296 V CB 1.348 32.973 31.823 -0.330 0.000 0.991 296 V HN 1.014 nan 8.190 nan 0.000 0.427 297 A N 5.597 128.385 122.820 -0.054 0.000 2.301 297 A HA 0.946 5.267 4.320 0.002 0.000 0.312 297 A C -0.730 176.910 177.584 0.093 0.000 1.182 297 A CA -0.294 51.699 52.037 -0.074 0.000 0.826 297 A CB 0.451 19.419 19.000 -0.053 0.000 1.134 297 A HN 0.946 nan 8.150 nan 0.000 0.501 298 F N 0.326 120.384 119.950 0.179 0.000 2.620 298 F HA 0.970 5.499 4.527 0.002 0.000 0.320 298 F C 0.326 176.319 175.800 0.321 0.000 1.069 298 F CA -0.462 57.740 58.000 0.337 0.000 0.953 298 F CB 1.298 40.638 39.000 0.567 0.000 1.322 298 F HN 0.994 nan 8.300 nan 0.000 0.479 299 G N 0.111 109.267 108.800 0.595 0.000 2.435 299 G HA2 0.422 4.383 3.960 0.002 0.000 0.296 299 G HA3 0.422 4.383 3.960 0.002 0.000 0.296 299 G C -0.661 174.448 174.900 0.348 0.000 1.240 299 G CA -0.245 45.105 45.100 0.417 0.000 0.872 299 G HN 0.873 nan 8.290 nan 0.000 0.480 300 K N -0.906 119.637 120.400 0.239 0.000 5.860 300 K HA -0.324 3.998 4.320 0.002 0.000 0.293 300 K C 2.103 178.808 176.600 0.174 0.000 0.645 300 K CA 2.227 58.620 56.287 0.177 0.000 0.970 300 K CB -1.150 31.439 32.500 0.149 0.000 0.789 300 K HN 0.434 nan 8.250 nan 0.000 0.882 301 K N 0.582 121.080 120.400 0.163 0.000 2.152 301 K HA -0.131 4.190 4.320 0.002 0.000 0.206 301 K C 2.055 178.756 176.600 0.168 0.000 1.048 301 K CA 1.935 58.301 56.287 0.131 0.000 0.933 301 K CB -0.300 32.251 32.500 0.085 0.000 0.721 301 K HN 0.663 nan 8.250 nan 0.000 0.447 302 T N -1.324 113.390 114.554 0.266 0.000 3.051 302 T HA -0.126 4.226 4.350 0.002 0.000 0.269 302 T C 0.986 175.864 174.700 0.295 0.000 1.127 302 T CA 0.680 62.995 62.100 0.357 0.000 1.107 302 T CB 0.011 69.246 68.868 0.613 0.000 0.898 302 T HN 0.171 nan 8.240 nan 0.000 0.517 303 Q N -0.822 119.106 119.800 0.213 0.000 2.540 303 Q HA -0.192 4.149 4.340 0.002 0.000 0.186 303 Q C 0.638 176.702 176.000 0.106 0.000 2.876 303 Q CA 1.910 57.784 55.803 0.117 0.000 0.213 303 Q CB -2.338 26.434 28.738 0.056 0.000 0.199 303 Q HN 0.608 nan 8.270 nan 0.000 0.403 304 V N 2.197 122.174 119.914 0.104 0.000 2.686 304 V HA 0.281 4.402 4.120 0.002 0.000 0.295 304 V C 1.030 177.354 176.094 0.383 0.000 1.055 304 V CA -0.253 62.128 62.300 0.134 0.000 1.050 304 V CB 1.334 33.141 31.823 -0.027 0.000 0.984 304 V HN 0.490 nan 8.190 nan 0.000 0.482 305 C N 2.550 122.032 119.300 0.304 0.000 2.423 305 C HA 1.054 5.516 4.460 0.002 0.000 0.378 305 C C 0.933 175.933 174.990 0.016 0.000 1.244 305 C CA 0.441 59.597 59.018 0.230 0.000 1.978 305 C CB 1.061 28.870 27.740 0.114 0.000 2.252 305 C HN 1.329 nan 8.230 nan 0.000 0.526 306 G N -0.761 107.616 108.800 -0.704 0.000 2.344 306 G HA2 0.509 4.470 3.960 0.002 0.000 0.282 306 G HA3 0.509 4.470 3.960 0.002 0.000 0.282 306 G C -1.397 172.789 174.900 -1.190 0.000 1.281 306 G CA 0.333 44.950 45.100 -0.807 0.000 0.877 306 G HN 1.658 nan 8.290 nan 0.000 0.494 307 V N -2.606 116.976 119.914 -0.554 0.000 2.962 307 V HA 0.915 5.036 4.120 0.002 0.000 0.313 307 V C -0.206 175.914 176.094 0.044 0.000 1.099 307 V CA -1.080 61.090 62.300 -0.217 0.000 0.971 307 V CB 1.830 33.630 31.823 -0.038 0.000 1.028 307 V HN 0.931 nan 8.190 nan 0.000 0.430 308 M N 3.362 123.013 119.600 0.085 0.000 2.383 308 M HA 0.910 5.391 4.480 0.002 0.000 0.325 308 M C -0.310 175.884 176.300 -0.177 0.000 1.092 308 M CA -0.571 54.720 55.300 -0.015 0.000 0.961 308 M CB 2.080 34.705 32.600 0.041 0.000 1.672 308 M HN 1.072 nan 8.290 nan 0.000 0.438 309 A N 1.719 124.361 122.820 -0.296 0.000 2.556 309 A HA 1.057 5.379 4.320 0.002 0.000 0.294 309 A C -0.326 177.143 177.584 -0.191 0.000 1.091 309 A CA -0.032 51.812 52.037 -0.322 0.000 0.704 309 A CB 2.017 20.674 19.000 -0.570 0.000 1.300 309 A HN 1.021 nan 8.150 nan 0.000 0.406 310 G N -0.216 108.506 108.800 -0.130 0.000 2.552 310 G HA2 0.489 4.450 3.960 0.002 0.000 0.137 310 G HA3 0.489 4.450 3.960 0.002 0.000 0.137 310 G C 0.331 175.176 174.900 -0.093 0.000 1.135 310 G CA 0.802 45.873 45.100 -0.048 0.000 1.047 310 G HN 1.330 nan 8.290 nan 0.000 0.501 311 R N -0.878 119.572 120.500 -0.084 0.000 3.793 311 R HA -0.271 4.070 4.340 0.002 0.000 0.464 311 R C 2.133 178.392 176.300 -0.067 0.000 0.241 311 R CA 2.394 58.441 56.100 -0.089 0.000 1.464 311 R CB -1.164 29.050 30.300 -0.143 0.000 0.954 311 R HN 0.565 nan 8.270 nan 0.000 0.583 312 R N 0.187 120.604 120.500 -0.139 0.000 2.237 312 R HA -0.044 4.297 4.340 0.002 0.000 0.219 312 R C 2.146 178.437 176.300 -0.014 0.000 1.080 312 R CA 1.299 57.347 56.100 -0.087 0.000 0.995 312 R CB -0.084 30.084 30.300 -0.220 0.000 0.875 312 R HN 0.323 nan 8.270 nan 0.000 0.462 313 V N 1.736 121.548 119.914 -0.169 0.000 2.324 313 V HA -0.277 3.844 4.120 0.002 0.000 0.250 313 V C 1.598 177.863 176.094 0.285 0.000 1.060 313 V CA 1.939 64.221 62.300 -0.029 0.000 1.042 313 V CB -0.386 31.422 31.823 -0.026 0.000 0.650 313 V HN 0.301 nan 8.190 nan 0.000 0.450 314 D N -0.343 120.180 120.400 0.204 0.000 2.309 314 D HA -0.142 4.500 4.640 0.002 0.000 0.212 314 D C 2.035 178.464 176.300 0.215 0.000 0.968 314 D CA 0.820 54.948 54.000 0.213 0.000 0.882 314 D CB -0.088 40.823 40.800 0.186 0.000 0.918 314 D HN 0.616 nan 8.370 nan 0.000 0.503 315 E N 0.060 120.431 120.200 0.285 0.000 2.347 315 E HA -0.027 4.324 4.350 0.002 0.000 0.196 315 E C 0.235 176.955 176.600 0.199 0.000 1.008 315 E CA 0.222 56.775 56.400 0.255 0.000 0.852 315 E CB 0.629 30.528 29.700 0.331 0.000 0.783 315 E HN -0.000 nan 8.360 nan 0.000 0.505 316 V N 1.375 121.419 119.914 0.217 0.000 2.311 316 V HA 0.183 4.305 4.120 0.002 0.000 0.275 316 V C 0.820 176.959 176.094 0.075 0.000 1.022 316 V CA -0.052 62.272 62.300 0.040 0.000 0.830 316 V CB 1.051 32.777 31.823 -0.162 0.000 1.012 316 V HN 0.154 nan 8.190 nan 0.000 0.452 317 A N 3.955 126.798 122.820 0.038 0.000 2.019 317 A HA -0.099 4.222 4.320 0.002 0.000 0.219 317 A C 1.281 178.883 177.584 0.029 0.000 1.164 317 A CA 1.558 53.620 52.037 0.043 0.000 0.644 317 A CB -0.182 18.833 19.000 0.025 0.000 0.805 317 A HN 0.871 nan 8.150 nan 0.000 0.449 318 D N 0.128 120.532 120.400 0.005 0.000 2.894 318 D HA 0.124 4.766 4.640 0.002 0.000 0.248 318 D C -0.030 176.262 176.300 -0.013 0.000 1.291 318 D CA -0.483 53.513 54.000 -0.007 0.000 0.840 318 D CB -1.327 39.460 40.800 -0.021 0.000 1.044 318 D HN 0.599 nan 8.370 nan 0.000 0.484 319 N N -1.278 117.431 118.700 0.015 0.000 2.288 319 N HA -0.032 4.710 4.740 0.002 0.000 0.237 319 N C 0.911 176.362 175.510 -0.098 0.000 1.311 319 N CA -0.735 52.324 53.050 0.015 0.000 0.909 319 N CB 0.695 39.264 38.487 0.138 0.000 1.167 319 N HN -0.157 nan 8.380 nan 0.000 0.476 320 V N -0.565 119.198 119.914 -0.251 0.000 2.913 320 V HA -0.105 4.017 4.120 0.002 0.000 0.260 320 V C 0.740 176.485 176.094 -0.583 0.000 1.098 320 V CA 1.288 63.309 62.300 -0.465 0.000 1.121 320 V CB -1.148 30.310 31.823 -0.608 0.000 0.714 320 V HN 0.620 nan 8.190 nan 0.000 0.487 321 F N -0.571 119.271 119.950 -0.181 0.000 2.776 321 F HA 0.317 4.845 4.527 0.002 0.000 0.300 321 F C 1.877 177.601 175.800 -0.127 0.000 1.116 321 F CA 0.755 58.638 58.000 -0.196 0.000 1.375 321 F CB -0.269 38.487 39.000 -0.407 0.000 1.109 321 F HN 0.137 nan 8.300 nan 0.000 0.585 322 A N -0.803 122.024 122.820 0.012 0.000 2.259 322 A HA 0.424 4.746 4.320 0.002 0.000 0.213 322 A C 0.339 177.935 177.584 0.020 0.000 1.209 322 A CA 0.169 52.226 52.037 0.034 0.000 0.910 322 A CB 0.132 19.150 19.000 0.030 0.000 0.946 322 A HN -0.020 nan 8.150 nan 0.000 0.497 323 V N 2.436 122.341 119.914 -0.015 0.000 2.384 323 V HA 0.349 4.470 4.120 0.002 0.000 0.287 323 V C -2.613 173.473 176.094 -0.014 0.000 1.020 323 V CA -1.905 60.385 62.300 -0.016 0.000 0.850 323 V CB 1.382 33.182 31.823 -0.038 0.000 0.987 323 V HN 0.193 nan 8.190 nan 0.000 0.436 324 P HA 0.143 nan 4.420 nan 0.000 0.266 324 P C 0.642 177.946 177.300 0.006 0.000 1.195 324 P CA 0.415 63.531 63.100 0.026 0.000 0.768 324 P CB 0.748 32.470 31.700 0.036 0.000 0.838 325 S N 0.339 116.049 115.700 0.017 0.000 3.084 325 S HA -0.170 4.302 4.470 0.002 0.000 0.277 325 S C 1.527 176.112 174.600 -0.025 0.000 1.295 325 S CA 0.836 59.041 58.200 0.008 0.000 1.170 325 S CB -0.964 62.240 63.200 0.008 0.000 1.412 325 S HN 0.514 nan 8.310 nan 0.000 0.669 326 R N -0.032 120.428 120.500 -0.067 0.000 2.093 326 R HA 0.213 4.554 4.340 0.002 0.000 0.224 326 R C 0.910 177.122 176.300 -0.147 0.000 1.101 326 R CA 0.914 56.948 56.100 -0.109 0.000 0.979 326 R CB -0.194 30.012 30.300 -0.156 0.000 0.877 326 R HN 0.498 nan 8.270 nan 0.000 0.441 327 L N 0.903 122.006 121.223 -0.199 0.000 2.346 327 L HA 0.430 4.772 4.340 0.002 0.000 0.274 327 L C -0.405 176.487 176.870 0.037 0.000 1.007 327 L CA -0.780 53.910 54.840 -0.250 0.000 0.818 327 L CB 1.792 43.362 42.059 -0.815 0.000 1.284 327 L HN -0.018 nan 8.230 nan 0.000 0.424 328 N N 0.075 118.883 118.700 0.180 0.000 3.348 328 N HA 0.593 5.334 4.740 0.002 0.000 0.233 328 N C -1.717 173.933 175.510 0.233 0.000 1.440 328 N CA -0.327 52.885 53.050 0.271 0.000 0.887 328 N CB 2.117 40.681 38.487 0.128 0.000 1.410 328 N HN 0.733 nan 8.380 nan 0.000 0.502 329 S N -1.689 114.105 115.700 0.157 0.000 2.625 329 S HA 0.435 4.906 4.470 0.002 0.000 0.271 329 S C 0.332 174.924 174.600 -0.012 0.000 1.161 329 S CA -0.263 57.980 58.200 0.073 0.000 0.820 329 S CB 0.998 64.266 63.200 0.112 0.000 1.137 329 S HN 0.401 nan 8.310 nan 0.000 0.470 330 T N 0.786 115.253 114.554 -0.145 0.000 2.635 330 T HA -0.084 4.267 4.350 0.002 0.000 0.267 330 T C 0.809 175.357 174.700 -0.253 0.000 1.040 330 T CA 1.920 63.812 62.100 -0.347 0.000 1.156 330 T CB -0.341 68.061 68.868 -0.776 0.000 0.863 330 T HN 0.674 nan 8.240 nan 0.000 0.430 331 W N 0.316 121.623 121.300 0.012 0.000 2.812 331 W HA 0.385 5.046 4.660 0.002 0.000 0.263 331 W C 1.730 178.251 176.519 0.002 0.000 1.284 331 W CA 0.395 57.741 57.345 0.002 0.000 1.430 331 W CB -0.726 28.730 29.460 -0.008 0.000 1.088 331 W HN 0.490 nan 8.180 nan 0.000 0.623 332 G N 1.820 110.735 108.800 0.191 0.000 2.295 332 G HA2 0.076 4.038 3.960 0.002 0.000 0.287 332 G HA3 0.076 4.038 3.960 0.002 0.000 0.287 332 G C 0.644 175.598 174.900 0.089 0.000 1.055 332 G CA 0.643 45.792 45.100 0.082 0.000 0.922 332 G HN 0.817 nan 8.290 nan 0.000 0.503 333 G N -1.010 107.861 108.800 0.117 0.000 2.699 333 G HA2 0.129 4.090 3.960 0.002 0.000 0.686 333 G HA3 0.129 4.090 3.960 0.002 0.000 0.686 333 G C -0.435 174.460 174.900 -0.008 0.000 1.301 333 G CA 0.079 45.211 45.100 0.053 0.000 0.816 333 G HN 1.259 nan 8.290 nan 0.000 0.595 334 N N 0.167 118.806 118.700 -0.101 0.000 2.419 334 N HA 0.312 5.053 4.740 0.002 0.000 0.264 334 N C 1.499 176.890 175.510 -0.199 0.000 1.031 334 N CA -0.568 52.371 53.050 -0.186 0.000 0.951 334 N CB 1.402 39.766 38.487 -0.205 0.000 1.101 334 N HN 0.656 nan 8.380 nan 0.000 0.488 335 L N 4.270 125.389 121.223 -0.173 0.000 2.079 335 L HA -0.116 4.226 4.340 0.002 0.000 0.210 335 L C 1.886 178.655 176.870 -0.167 0.000 1.081 335 L CA 1.900 56.645 54.840 -0.157 0.000 0.752 335 L CB -0.755 41.249 42.059 -0.092 0.000 0.896 335 L HN 0.591 nan 8.230 nan 0.000 0.433 336 T N -0.601 113.858 114.554 -0.159 0.000 2.720 336 T HA -0.177 4.174 4.350 0.002 0.000 0.268 336 T C 1.481 176.105 174.700 -0.127 0.000 1.037 336 T CA 1.573 63.593 62.100 -0.133 0.000 1.144 336 T CB -0.374 68.414 68.868 -0.133 0.000 0.864 336 T HN 0.393 nan 8.240 nan 0.000 0.444 337 D N 0.932 121.235 120.400 -0.161 0.000 2.144 337 D HA -0.025 4.617 4.640 0.002 0.000 0.199 337 D C 2.084 178.217 176.300 -0.279 0.000 0.984 337 D CA 0.978 54.882 54.000 -0.161 0.000 0.834 337 D CB -0.305 40.406 40.800 -0.147 0.000 0.955 337 D HN 0.403 nan 8.370 nan 0.000 0.465 338 M N 0.027 119.346 119.600 -0.469 0.000 2.086 338 M HA -0.138 4.343 4.480 0.002 0.000 0.261 338 M C 2.353 178.445 176.300 -0.346 0.000 1.067 338 M CA 0.940 55.709 55.300 -0.886 0.000 1.116 338 M CB -0.205 31.857 32.600 -0.896 0.000 1.348 338 M HN -0.108 nan 8.290 nan 0.000 0.407 339 V N 0.088 119.930 119.914 -0.120 0.000 2.295 339 V HA -0.274 3.847 4.120 0.002 0.000 0.246 339 V C 2.383 178.619 176.094 0.237 0.000 1.049 339 V CA 1.972 64.322 62.300 0.084 0.000 1.024 339 V CB -0.811 31.040 31.823 0.047 0.000 0.648 339 V HN 0.448 nan 8.190 nan 0.000 0.447 340 R N 0.126 120.735 120.500 0.180 0.000 2.073 340 R HA -0.172 4.170 4.340 0.002 0.000 0.234 340 R C 2.344 178.718 176.300 0.124 0.000 1.134 340 R CA 1.736 57.984 56.100 0.246 0.000 0.952 340 R CB -0.537 29.857 30.300 0.156 0.000 0.850 340 R HN 0.491 nan 8.270 nan 0.000 0.433 341 A N 1.354 124.223 122.820 0.081 0.000 1.908 341 A HA -0.246 4.075 4.320 0.002 0.000 0.218 341 A C 2.093 179.811 177.584 0.224 0.000 1.181 341 A CA 1.890 54.016 52.037 0.148 0.000 0.627 341 A CB -0.557 18.549 19.000 0.178 0.000 0.818 341 A HN 0.535 nan 8.150 nan 0.000 0.445 342 R N -0.579 120.097 120.500 0.293 0.000 2.092 342 R HA -0.072 4.269 4.340 0.002 0.000 0.231 342 R C 2.034 178.377 176.300 0.071 0.000 1.119 342 R CA 1.782 58.040 56.100 0.263 0.000 0.970 342 R CB -0.433 30.066 30.300 0.331 0.000 0.864 342 R HN 0.311 nan 8.270 nan 0.000 0.440 343 R N 0.881 121.376 120.500 -0.007 0.000 2.075 343 R HA 0.075 4.416 4.340 0.002 0.000 0.232 343 R C 2.014 178.190 176.300 -0.207 0.000 1.126 343 R CA 1.761 57.716 56.100 -0.243 0.000 0.963 343 R CB -0.539 29.281 30.300 -0.801 0.000 0.858 343 R HN 0.423 nan 8.270 nan 0.000 0.435 344 I N 0.124 120.619 120.570 -0.124 0.000 2.179 344 I HA -0.305 3.866 4.170 0.002 0.000 0.242 344 I C 2.005 178.062 176.117 -0.101 0.000 1.088 344 I CA 1.279 62.522 61.300 -0.096 0.000 1.357 344 I CB -0.254 37.729 38.000 -0.030 0.000 1.051 344 I HN 0.163 nan 8.210 nan 0.000 0.409 345 L N 0.174 121.358 121.223 -0.064 0.000 2.079 345 L HA -0.239 4.103 4.340 0.002 0.000 0.210 345 L C 2.466 179.247 176.870 -0.149 0.000 1.081 345 L CA 1.511 56.286 54.840 -0.108 0.000 0.752 345 L CB -0.622 41.397 42.059 -0.067 0.000 0.896 345 L HN 0.291 nan 8.230 nan 0.000 0.433 346 E N -0.527 119.601 120.200 -0.120 0.000 2.106 346 E HA -0.174 4.177 4.350 0.002 0.000 0.192 346 E C 2.275 178.783 176.600 -0.154 0.000 0.984 346 E CA 1.163 57.487 56.400 -0.128 0.000 0.806 346 E CB -0.033 29.603 29.700 -0.107 0.000 0.750 346 E HN 0.270 nan 8.360 nan 0.000 0.458 347 V N 1.489 121.305 119.914 -0.164 0.000 2.295 347 V HA -0.265 3.856 4.120 0.002 0.000 0.246 347 V C 2.259 178.234 176.094 -0.197 0.000 1.049 347 V CA 1.535 63.736 62.300 -0.164 0.000 1.024 347 V CB -0.409 31.321 31.823 -0.154 0.000 0.648 347 V HN 0.267 nan 8.190 nan 0.000 0.447 348 I N 0.055 120.482 120.570 -0.239 0.000 2.151 348 I HA -0.334 3.838 4.170 0.002 0.000 0.243 348 I C 2.641 178.504 176.117 -0.424 0.000 1.080 348 I CA 2.303 63.383 61.300 -0.366 0.000 1.339 348 I CB -0.360 37.364 38.000 -0.460 0.000 1.039 348 I HN 0.453 nan 8.210 nan 0.000 0.409 349 E N 1.002 120.993 120.200 -0.347 0.000 2.072 349 E HA -0.212 4.139 4.350 0.002 0.000 0.191 349 E C 2.259 178.734 176.600 -0.207 0.000 0.985 349 E CA 1.219 57.444 56.400 -0.293 0.000 0.801 349 E CB -0.020 29.551 29.700 -0.214 0.000 0.750 349 E HN 0.482 nan 8.360 nan 0.000 0.452 350 A N 0.981 123.698 122.820 -0.171 0.000 1.929 350 A HA -0.130 4.192 4.320 0.002 0.000 0.216 350 A C 1.641 179.151 177.584 -0.123 0.000 1.176 350 A CA 1.290 53.251 52.037 -0.128 0.000 0.628 350 A CB -0.206 18.727 19.000 -0.111 0.000 0.816 350 A HN 0.297 nan 8.150 nan 0.000 0.444 351 E N -1.039 119.074 120.200 -0.145 0.000 2.476 351 E HA 0.297 4.648 4.350 0.002 0.000 0.196 351 E C 0.676 177.197 176.600 -0.131 0.000 1.029 351 E CA 0.089 56.415 56.400 -0.124 0.000 0.896 351 E CB 0.045 29.674 29.700 -0.118 0.000 1.012 351 E HN 0.631 nan 8.360 nan 0.000 0.475 352 G N 2.220 110.920 108.800 -0.166 0.000 2.338 352 G HA2 -0.287 3.674 3.960 0.002 0.000 0.296 352 G HA3 -0.287 3.674 3.960 0.002 0.000 0.296 352 G C 0.662 175.470 174.900 -0.153 0.000 1.040 352 G CA 0.202 45.208 45.100 -0.157 0.000 1.004 352 G HN 0.312 nan 8.290 nan 0.000 0.509 353 L N -1.272 119.804 121.223 -0.245 0.000 2.291 353 L HA 0.061 4.402 4.340 0.002 0.000 0.214 353 L C 2.654 179.505 176.870 -0.031 0.000 1.120 353 L CA 0.445 55.183 54.840 -0.170 0.000 0.799 353 L CB -0.402 41.538 42.059 -0.200 0.000 0.925 353 L HN 0.326 nan 8.230 nan 0.000 0.446 354 F N 0.792 120.680 119.950 -0.103 0.000 2.102 354 F HA -0.216 4.312 4.527 0.003 0.000 0.298 354 F C 2.665 178.425 175.800 -0.065 0.000 1.105 354 F CA 1.410 59.349 58.000 -0.102 0.000 1.239 354 F CB -0.892 38.034 39.000 -0.123 0.000 0.991 354 F HN 0.098 nan 8.300 nan 0.000 0.474 355 E N 0.608 120.889 120.200 0.135 0.000 2.106 355 E HA -0.185 4.167 4.350 0.002 0.000 0.192 355 E C 2.361 179.005 176.600 0.072 0.000 0.984 355 E CA 1.120 57.567 56.400 0.077 0.000 0.806 355 E CB -0.290 29.436 29.700 0.042 0.000 0.750 355 E HN 0.240 nan 8.360 nan 0.000 0.458 356 R N -0.453 120.076 120.500 0.049 0.000 2.096 356 R HA -0.068 4.273 4.340 0.002 0.000 0.235 356 R C 2.120 178.472 176.300 0.086 0.000 1.127 356 R CA 1.235 57.371 56.100 0.060 0.000 0.968 356 R CB -0.305 29.963 30.300 -0.053 0.000 0.861 356 R HN 0.251 nan 8.270 nan 0.000 0.440 357 A N 0.157 123.011 122.820 0.056 0.000 1.898 357 A HA -0.096 4.225 4.320 0.002 0.000 0.216 357 A C 2.215 179.853 177.584 0.091 0.000 1.181 357 A CA 1.456 53.533 52.037 0.067 0.000 0.620 357 A CB -0.497 18.539 19.000 0.061 0.000 0.819 357 A HN 0.199 nan 8.150 nan 0.000 0.442 358 V N 0.125 120.087 119.914 0.080 0.000 2.255 358 V HA -0.309 3.813 4.120 0.002 0.000 0.247 358 V C 2.796 178.941 176.094 0.085 0.000 1.051 358 V CA 2.205 64.545 62.300 0.067 0.000 1.018 358 V CB -0.832 31.020 31.823 0.049 0.000 0.641 358 V HN 0.545 nan 8.190 nan 0.000 0.445 359 Q N -0.692 119.173 119.800 0.108 0.000 2.046 359 Q HA -0.145 4.196 4.340 0.002 0.000 0.200 359 Q C 2.219 178.270 176.000 0.084 0.000 0.975 359 Q CA 1.753 57.607 55.803 0.086 0.000 0.836 359 Q CB -0.629 28.155 28.738 0.076 0.000 0.896 359 Q HN 0.747 nan 8.270 nan 0.000 0.428 360 H N -0.829 118.259 119.070 0.030 0.000 2.428 360 H HA 0.002 4.560 4.556 0.002 0.000 0.296 360 H C 1.958 177.339 175.328 0.088 0.000 1.062 360 H CA 0.904 56.981 56.048 0.048 0.000 1.350 360 H CB 0.086 29.850 29.762 0.004 0.000 1.403 360 H HN 0.353 nan 8.280 nan 0.000 0.533 361 G N 1.333 110.239 108.800 0.176 0.000 2.418 361 G HA2 -0.245 3.717 3.960 0.002 0.000 0.217 361 G HA3 -0.245 3.717 3.960 0.002 0.000 0.217 361 G C 1.724 176.670 174.900 0.077 0.000 1.158 361 G CA 0.432 45.596 45.100 0.107 0.000 0.771 361 G HN 0.308 nan 8.290 nan 0.000 0.545 362 K N -0.882 119.564 120.400 0.076 0.000 2.097 362 K HA -0.094 4.228 4.320 0.002 0.000 0.206 362 K C 2.147 178.774 176.600 0.046 0.000 1.049 362 K CA 1.145 57.461 56.287 0.048 0.000 0.933 362 K CB -0.310 32.216 32.500 0.043 0.000 0.717 362 K HN 0.408 nan 8.250 nan 0.000 0.442 363 Y N 1.309 121.577 120.300 -0.053 0.000 2.145 363 Y HA -0.241 4.310 4.550 0.002 0.000 0.286 363 Y C 2.079 177.938 175.900 -0.068 0.000 1.145 363 Y CA 1.224 59.280 58.100 -0.074 0.000 1.148 363 Y CB -0.260 38.128 38.460 -0.120 0.000 0.981 363 Y HN -0.035 nan 8.280 nan 0.000 0.507 364 L N 0.856 122.116 121.223 0.062 0.000 2.042 364 L HA -0.183 4.158 4.340 0.002 0.000 0.210 364 L C 2.471 179.250 176.870 -0.152 0.000 1.076 364 L CA 2.168 56.964 54.840 -0.072 0.000 0.749 364 L CB -0.969 41.058 42.059 -0.054 0.000 0.893 364 L HN 0.198 nan 8.230 nan 0.000 0.432 365 R N 0.158 120.605 120.500 -0.088 0.000 2.073 365 R HA -0.086 4.256 4.340 0.002 0.000 0.234 365 R C 2.193 178.427 176.300 -0.111 0.000 1.134 365 R CA 1.798 57.851 56.100 -0.078 0.000 0.952 365 R CB -0.997 29.281 30.300 -0.036 0.000 0.850 365 R HN 0.482 nan 8.270 nan 0.000 0.433 366 A N 0.866 123.600 122.820 -0.143 0.000 1.908 366 A HA -0.175 4.146 4.320 0.002 0.000 0.218 366 A C 2.086 179.544 177.584 -0.210 0.000 1.181 366 A CA 1.651 53.585 52.037 -0.171 0.000 0.627 366 A CB -0.510 18.366 19.000 -0.207 0.000 0.818 366 A HN 0.251 nan 8.150 nan 0.000 0.445 367 R N -0.365 119.962 120.500 -0.288 0.000 2.096 367 R HA -0.009 4.332 4.340 0.002 0.000 0.235 367 R C 2.021 178.215 176.300 -0.177 0.000 1.127 367 R CA 1.115 57.061 56.100 -0.256 0.000 0.968 367 R CB -0.908 29.215 30.300 -0.296 0.000 0.861 367 R HN 0.619 nan 8.270 nan 0.000 0.440 368 L N 0.473 121.597 121.223 -0.164 0.000 2.109 368 L HA -0.133 4.208 4.340 0.002 0.000 0.207 368 L C 1.776 178.580 176.870 -0.110 0.000 1.086 368 L CA 1.003 55.763 54.840 -0.134 0.000 0.760 368 L CB -0.469 41.552 42.059 -0.062 0.000 0.910 368 L HN 0.031 nan 8.230 nan 0.000 0.437 369 D N 0.453 120.799 120.400 -0.090 0.000 2.104 369 D HA -0.190 4.451 4.640 0.002 0.000 0.194 369 D C 2.098 178.356 176.300 -0.071 0.000 0.994 369 D CA 1.214 55.172 54.000 -0.070 0.000 0.830 369 D CB -0.020 40.740 40.800 -0.067 0.000 0.959 369 D HN 0.357 nan 8.370 nan 0.000 0.452 370 E N 0.204 120.353 120.200 -0.086 0.000 2.085 370 E HA -0.132 4.220 4.350 0.002 0.000 0.194 370 E C 2.387 178.962 176.600 -0.041 0.000 0.994 370 E CA 0.400 56.758 56.400 -0.071 0.000 0.801 370 E CB -0.110 29.539 29.700 -0.084 0.000 0.743 370 E HN 0.254 nan 8.360 nan 0.000 0.453 371 L N 0.459 121.654 121.223 -0.046 0.000 2.042 371 L HA -0.233 4.109 4.340 0.002 0.000 0.210 371 L C 2.558 179.453 176.870 0.042 0.000 1.076 371 L CA 1.103 55.951 54.840 0.013 0.000 0.749 371 L CB -0.470 41.496 42.059 -0.156 0.000 0.893 371 L HN 0.188 nan 8.230 nan 0.000 0.432 372 A N -0.323 122.472 122.820 -0.042 0.000 1.933 372 A HA -0.148 4.174 4.320 0.002 0.000 0.218 372 A C 2.480 180.063 177.584 -0.002 0.000 1.175 372 A CA 1.626 53.651 52.037 -0.020 0.000 0.628 372 A CB -0.556 18.426 19.000 -0.031 0.000 0.814 372 A HN 0.437 nan 8.150 nan 0.000 0.444 373 A N -0.050 122.754 122.820 -0.027 0.000 1.898 373 A HA -0.133 4.189 4.320 0.002 0.000 0.216 373 A C 1.713 179.242 177.584 -0.092 0.000 1.181 373 A CA 1.790 53.798 52.037 -0.050 0.000 0.620 373 A CB -0.460 18.506 19.000 -0.056 0.000 0.819 373 A HN 0.424 nan 8.150 nan 0.000 0.442 374 D N -1.433 118.893 120.400 -0.123 0.000 2.234 374 D HA 0.030 4.671 4.640 0.002 0.000 0.205 374 D C -0.257 175.669 176.300 -0.623 0.000 0.962 374 D CA 0.898 54.682 54.000 -0.360 0.000 0.855 374 D CB -0.072 40.490 40.800 -0.397 0.000 0.951 374 D HN 0.463 nan 8.370 nan 0.000 0.500 375 F N -0.703 119.210 119.950 -0.061 0.000 2.577 375 F HA 0.288 4.816 4.527 0.002 0.000 0.342 375 F C -1.803 173.971 175.800 -0.044 0.000 1.479 375 F CA -1.739 56.230 58.000 -0.051 0.000 1.110 375 F CB 1.712 40.673 39.000 -0.066 0.000 1.306 375 F HN -0.188 nan 8.300 nan 0.000 0.554 376 P HA -0.200 nan 4.420 nan 0.000 0.216 376 P C 1.439 178.773 177.300 0.056 0.000 1.150 376 P CA 1.441 64.565 63.100 0.039 0.000 0.843 376 P CB 0.327 32.030 31.700 0.004 0.000 0.787 377 A N -1.817 121.045 122.820 0.069 0.000 2.275 377 A HA 0.157 4.478 4.320 0.002 0.000 0.212 377 A C 1.721 179.353 177.584 0.080 0.000 1.201 377 A CA 0.608 52.684 52.037 0.065 0.000 0.843 377 A CB -0.495 18.537 19.000 0.054 0.000 0.873 377 A HN 0.058 nan 8.150 nan 0.000 0.492 378 V N -1.594 118.381 119.914 0.102 0.000 3.058 378 V HA 0.077 4.198 4.120 0.002 0.000 0.233 378 V C 0.573 176.720 176.094 0.088 0.000 1.255 378 V CA 0.407 62.764 62.300 0.095 0.000 1.267 378 V CB 0.452 32.335 31.823 0.100 0.000 1.049 378 V HN 0.061 nan 8.190 nan 0.000 0.486 379 V N 4.042 123.989 119.914 0.055 0.000 2.322 379 V HA 0.331 4.452 4.120 0.002 0.000 0.258 379 V C -0.306 175.820 176.094 0.055 0.000 1.074 379 V CA 0.119 62.402 62.300 -0.028 0.000 0.909 379 V CB 0.203 31.875 31.823 -0.252 0.000 1.090 379 V HN 0.245 nan 8.190 nan 0.000 0.486 380 L N 3.682 124.996 121.223 0.152 0.000 2.322 380 L HA 0.560 4.901 4.340 0.002 0.000 0.279 380 L C 0.597 177.561 176.870 0.156 0.000 1.036 380 L CA -0.642 54.275 54.840 0.129 0.000 0.807 380 L CB 0.924 43.053 42.059 0.117 0.000 1.226 380 L HN 0.566 nan 8.230 nan 0.000 0.433 381 D N 1.493 121.955 120.400 0.104 0.000 2.705 381 D HA -0.109 4.532 4.640 0.002 0.000 0.240 381 D C -2.235 174.137 176.300 0.120 0.000 1.137 381 D CA -0.068 53.988 54.000 0.094 0.000 0.677 381 D CB -0.230 40.626 40.800 0.094 0.000 1.049 381 D HN 0.186 nan 8.370 nan 0.000 0.427 382 P HA 0.135 nan 4.420 nan 0.000 0.268 382 P C -0.032 177.300 177.300 0.053 0.000 1.204 382 P CA 0.333 63.505 63.100 0.121 0.000 0.768 382 P CB 0.624 32.353 31.700 0.048 0.000 0.842 383 R N 1.122 121.655 120.500 0.054 0.000 2.716 383 R HA 0.855 5.196 4.340 0.002 0.000 0.271 383 R C -1.120 175.158 176.300 -0.036 0.000 1.028 383 R CA -0.986 55.076 56.100 -0.064 0.000 0.883 383 R CB 1.259 31.483 30.300 -0.126 0.000 1.250 383 R HN 0.611 nan 8.270 nan 0.000 0.465 384 G N 0.694 109.397 108.800 -0.161 0.000 2.340 384 G HA2 0.376 4.338 3.960 0.002 0.000 0.298 384 G HA3 0.376 4.338 3.960 0.002 0.000 0.298 384 G C -2.012 172.934 174.900 0.078 0.000 1.498 384 G CA -1.029 44.099 45.100 0.047 0.000 0.847 384 G HN 0.645 nan 8.290 nan 0.000 0.594 385 R N 0.345 120.978 120.500 0.222 0.000 2.514 385 R HA 0.583 4.925 4.340 0.002 0.000 0.296 385 R C 0.928 177.290 176.300 0.104 0.000 1.012 385 R CA 0.890 57.085 56.100 0.158 0.000 0.897 385 R CB 1.182 31.620 30.300 0.229 0.000 1.184 385 R HN 2.433 nan 8.270 nan 0.000 0.440 386 G N 2.782 111.622 108.800 0.067 0.000 2.611 386 G HA2 -0.342 3.619 3.960 0.002 0.000 0.301 386 G HA3 -0.342 3.619 3.960 0.002 0.000 0.301 386 G C 0.061 175.003 174.900 0.070 0.000 1.233 386 G CA 0.115 45.248 45.100 0.056 0.000 0.993 386 G HN 0.453 nan 8.290 nan 0.000 0.553 387 L N 0.633 121.896 121.223 0.067 0.000 2.591 387 L HA 0.405 4.747 4.340 0.002 0.000 0.228 387 L C 1.900 178.828 176.870 0.097 0.000 1.133 387 L CA 0.709 55.595 54.840 0.077 0.000 0.880 387 L CB -0.566 41.530 42.059 0.062 0.000 1.033 387 L HN 0.583 nan 8.230 nan 0.000 0.450 388 M N 0.029 119.688 119.600 0.100 0.000 2.497 388 M HA 0.182 4.664 4.480 0.002 0.000 0.336 388 M C -1.032 175.372 176.300 0.173 0.000 1.378 388 M CA 0.131 55.503 55.300 0.121 0.000 1.375 388 M CB -0.066 32.586 32.600 0.087 0.000 1.337 388 M HN 0.101 nan 8.290 nan 0.000 0.461 389 C N 3.307 122.727 119.300 0.200 0.000 2.971 389 C HA 1.025 5.486 4.460 0.002 0.000 0.310 389 C C -0.313 174.871 174.990 0.323 0.000 1.285 389 C CA -0.586 58.563 59.018 0.220 0.000 1.593 389 C CB 1.756 29.569 27.740 0.122 0.000 2.076 389 C HN 0.905 nan 8.230 nan 0.000 0.472 390 A N 0.889 123.891 122.820 0.303 0.000 2.586 390 A HA 0.950 5.271 4.320 0.002 0.000 0.291 390 A C -1.415 176.347 177.584 0.297 0.000 1.062 390 A CA -0.445 51.743 52.037 0.251 0.000 0.666 390 A CB 0.936 19.998 19.000 0.103 0.000 1.281 390 A HN 1.475 nan 8.150 nan 0.000 0.421 391 F N -1.220 118.827 119.950 0.162 0.000 2.715 391 F HA 0.910 5.438 4.527 0.002 0.000 0.318 391 F C -0.288 175.547 175.800 0.059 0.000 1.141 391 F CA -0.813 57.246 58.000 0.098 0.000 0.950 391 F CB 1.190 40.252 39.000 0.104 0.000 1.374 391 F HN 0.479 nan 8.300 nan 0.000 0.477 392 S N 0.810 116.673 115.700 0.271 0.000 2.600 392 S HA 0.833 5.304 4.470 0.002 0.000 0.300 392 S C -1.065 173.678 174.600 0.238 0.000 1.087 392 S CA -0.662 57.611 58.200 0.122 0.000 0.965 392 S CB 1.997 65.246 63.200 0.081 0.000 1.089 392 S HN 0.583 nan 8.310 nan 0.000 0.496 393 L N 1.681 122.981 121.223 0.128 0.000 2.313 393 L HA 0.485 4.826 4.340 0.002 0.000 0.268 393 L C -1.748 175.170 176.870 0.080 0.000 1.010 393 L CA -2.006 52.911 54.840 0.129 0.000 0.814 393 L CB 0.840 42.961 42.059 0.103 0.000 1.304 393 L HN 0.380 nan 8.230 nan 0.000 0.441 394 P HA -0.074 nan 4.420 nan 0.000 0.216 394 P C -0.102 177.222 177.300 0.041 0.000 1.150 394 P CA 1.075 64.208 63.100 0.055 0.000 0.837 394 P CB 0.073 31.804 31.700 0.051 0.000 0.786 395 T N -6.767 107.808 114.554 0.035 0.000 2.887 395 T HA 0.369 4.720 4.350 0.002 0.000 0.292 395 T C 1.027 175.735 174.700 0.014 0.000 1.087 395 T CA 0.009 62.124 62.100 0.024 0.000 1.009 395 T CB 1.236 70.116 68.868 0.021 0.000 1.203 395 T HN -0.045 nan 8.240 nan 0.000 0.518 396 T N -0.768 113.790 114.554 0.007 0.000 2.951 396 T HA 0.056 4.408 4.350 0.002 0.000 0.268 396 T C 2.227 176.923 174.700 -0.006 0.000 1.073 396 T CA 1.305 63.402 62.100 -0.004 0.000 1.134 396 T CB -0.890 67.974 68.868 -0.007 0.000 0.884 396 T HN 0.875 nan 8.240 nan 0.000 0.479 397 A N 1.886 124.707 122.820 0.001 0.000 1.902 397 A HA -0.065 4.256 4.320 0.002 0.000 0.217 397 A C 2.192 179.779 177.584 0.004 0.000 1.181 397 A CA 1.796 53.834 52.037 0.001 0.000 0.623 397 A CB -0.777 18.227 19.000 0.006 0.000 0.818 397 A HN 0.547 nan 8.150 nan 0.000 0.443 398 D N -0.702 119.705 120.400 0.012 0.000 2.117 398 D HA -0.139 4.502 4.640 0.002 0.000 0.197 398 D C 2.125 178.433 176.300 0.013 0.000 0.987 398 D CA 0.968 54.980 54.000 0.019 0.000 0.829 398 D CB -0.345 40.474 40.800 0.032 0.000 0.961 398 D HN 0.266 nan 8.370 nan 0.000 0.460 399 R N 1.137 121.638 120.500 0.001 0.000 2.073 399 R HA -0.133 4.208 4.340 0.002 0.000 0.234 399 R C 1.296 177.574 176.300 -0.037 0.000 1.134 399 R CA 1.382 57.467 56.100 -0.025 0.000 0.952 399 R CB -0.495 29.777 30.300 -0.046 0.000 0.850 399 R HN 0.085 nan 8.270 nan 0.000 0.433 400 D N 0.387 120.768 120.400 -0.031 0.000 2.097 400 D HA -0.168 4.473 4.640 0.002 0.000 0.195 400 D C 1.828 178.116 176.300 -0.021 0.000 0.989 400 D CA 1.304 55.283 54.000 -0.035 0.000 0.827 400 D CB -0.250 40.531 40.800 -0.031 0.000 0.966 400 D HN 0.259 nan 8.370 nan 0.000 0.456 401 E N 0.286 120.482 120.200 -0.006 0.000 2.110 401 E HA -0.139 4.212 4.350 0.002 0.000 0.193 401 E C 1.931 178.541 176.600 0.016 0.000 0.988 401 E CA 0.446 56.850 56.400 0.007 0.000 0.804 401 E CB -0.363 29.344 29.700 0.011 0.000 0.745 401 E HN 0.187 nan 8.360 nan 0.000 0.458 402 L N 0.174 121.405 121.223 0.013 0.000 2.093 402 L HA -0.039 4.302 4.340 0.002 0.000 0.208 402 L C 2.110 178.994 176.870 0.024 0.000 1.085 402 L CA 1.535 56.390 54.840 0.025 0.000 0.755 402 L CB -0.364 41.721 42.059 0.043 0.000 0.904 402 L HN 0.245 nan 8.230 nan 0.000 0.435 403 I N -0.763 119.804 120.570 -0.005 0.000 2.226 403 I HA -0.298 3.873 4.170 0.002 0.000 0.245 403 I C 2.606 178.760 176.117 0.062 0.000 1.100 403 I CA 1.201 62.498 61.300 -0.004 0.000 1.374 403 I CB -0.328 37.636 38.000 -0.059 0.000 1.057 403 I HN 0.273 nan 8.210 nan 0.000 0.413 404 R N 0.247 120.778 120.500 0.052 0.000 2.081 404 R HA -0.160 4.181 4.340 0.002 0.000 0.235 404 R C 2.337 178.729 176.300 0.153 0.000 1.131 404 R CA 1.051 57.213 56.100 0.103 0.000 0.960 404 R CB -0.314 30.018 30.300 0.054 0.000 0.856 404 R HN 0.399 nan 8.270 nan 0.000 0.436 405 Q N 0.445 120.302 119.800 0.094 0.000 2.124 405 Q HA -0.125 4.217 4.340 0.002 0.000 0.202 405 Q C 2.143 178.195 176.000 0.086 0.000 0.977 405 Q CA 1.113 56.962 55.803 0.078 0.000 0.850 405 Q CB -0.185 28.581 28.738 0.046 0.000 0.901 405 Q HN 0.205 nan 8.270 nan 0.000 0.429 406 L N -0.161 121.122 121.223 0.100 0.000 2.093 406 L HA -0.136 4.205 4.340 0.002 0.000 0.208 406 L C 1.993 178.946 176.870 0.138 0.000 1.085 406 L CA 1.384 56.284 54.840 0.100 0.000 0.755 406 L CB -1.343 40.772 42.059 0.093 0.000 0.904 406 L HN 0.451 nan 8.230 nan 0.000 0.435 407 W N 0.643 121.961 121.300 0.029 0.000 2.338 407 W HA -0.264 4.397 4.660 0.002 0.000 0.304 407 W C 2.196 178.775 176.519 0.100 0.000 1.212 407 W CA 1.526 58.915 57.345 0.073 0.000 1.264 407 W CB -0.116 29.361 29.460 0.028 0.000 1.142 407 W HN 0.321 nan 8.180 nan 0.000 0.512 408 Q N -0.049 119.799 119.800 0.079 0.000 2.170 408 Q HA -0.176 4.165 4.340 0.002 0.000 0.203 408 Q C 1.946 177.874 176.000 -0.119 0.000 0.976 408 Q CA 1.396 57.184 55.803 -0.026 0.000 0.858 408 Q CB -0.219 28.552 28.738 0.055 0.000 0.907 408 Q HN 0.232 nan 8.270 nan 0.000 0.433 409 R N -0.378 120.069 120.500 -0.089 0.000 2.356 409 R HA 0.242 4.583 4.340 0.002 0.000 0.234 409 R C 0.295 176.481 176.300 -0.190 0.000 0.929 409 R CA 0.463 56.498 56.100 -0.110 0.000 1.084 409 R CB 0.434 30.712 30.300 -0.037 0.000 1.105 409 R HN 0.164 nan 8.270 nan 0.000 0.515 410 A N 0.001 122.622 122.820 -0.332 0.000 2.869 410 A HA -0.145 4.176 4.320 0.002 0.000 0.280 410 A C -0.098 177.394 177.584 -0.153 0.000 1.458 410 A CA 0.600 52.315 52.037 -0.536 0.000 0.776 410 A CB -1.889 16.616 19.000 -0.824 0.000 1.028 410 A HN 0.100 nan 8.150 nan 0.000 0.547 411 V N 0.626 120.539 119.914 -0.002 0.000 2.444 411 V HA 0.548 4.669 4.120 0.002 0.000 0.294 411 V C 0.230 176.420 176.094 0.160 0.000 1.022 411 V CA -0.330 62.019 62.300 0.083 0.000 0.850 411 V CB 1.790 33.659 31.823 0.078 0.000 0.992 411 V HN 0.424 nan 8.190 nan 0.000 0.426 412 I N 6.311 126.985 120.570 0.173 0.000 2.304 412 I HA 0.567 4.738 4.170 0.002 0.000 0.291 412 I C -0.015 176.150 176.117 0.079 0.000 1.018 412 I CA -0.483 60.919 61.300 0.170 0.000 1.260 412 I CB 1.365 39.452 38.000 0.145 0.000 1.390 412 I HN 0.534 nan 8.210 nan 0.000 0.475 413 V N 4.576 124.488 119.914 -0.003 0.000 3.126 413 V HA 0.676 4.797 4.120 0.002 0.000 0.314 413 V C -0.730 175.296 176.094 -0.112 0.000 1.138 413 V CA -0.987 61.243 62.300 -0.116 0.000 1.034 413 V CB 2.221 33.850 31.823 -0.323 0.000 1.075 413 V HN 0.527 nan 8.190 nan 0.000 0.442 414 L N 2.457 123.599 121.223 -0.135 0.000 2.346 414 L HA 0.658 5.000 4.340 0.002 0.000 0.274 414 L C -2.358 174.418 176.870 -0.157 0.000 1.007 414 L CA -1.815 52.966 54.840 -0.098 0.000 0.818 414 L CB 2.655 44.709 42.059 -0.008 0.000 1.284 414 L HN 0.555 nan 8.230 nan 0.000 0.424 415 P HA 0.386 nan 4.420 nan 0.000 0.276 415 P C -1.411 175.817 177.300 -0.120 0.000 1.252 415 P CA -0.374 62.644 63.100 -0.138 0.000 0.802 415 P CB 1.647 33.280 31.700 -0.112 0.000 1.035 416 A N 0.092 122.841 122.820 -0.118 0.000 2.574 416 A HA 0.690 5.012 4.320 0.002 0.000 0.297 416 A C 0.194 177.728 177.584 -0.083 0.000 1.062 416 A CA -0.062 51.915 52.037 -0.100 0.000 0.686 416 A CB 0.930 19.868 19.000 -0.104 0.000 1.285 416 A HN 0.862 nan 8.150 nan 0.000 0.403 417 G N 0.419 109.183 108.800 -0.061 0.000 2.578 417 G HA2 0.150 4.111 3.960 0.002 0.000 0.284 417 G HA3 0.150 4.111 3.960 0.002 0.000 0.284 417 G C 1.187 176.067 174.900 -0.034 0.000 1.283 417 G CA 1.195 46.270 45.100 -0.041 0.000 0.944 417 G HN 2.318 nan 8.290 nan 0.000 0.558 418 A N -1.034 121.771 122.820 -0.023 0.000 2.030 418 A HA 0.408 4.729 4.320 0.002 0.000 0.215 418 A C 1.551 179.121 177.584 -0.023 0.000 1.164 418 A CA 2.184 54.212 52.037 -0.015 0.000 0.697 418 A CB -0.037 18.965 19.000 0.003 0.000 0.827 418 A HN 1.497 nan 8.150 nan 0.000 0.457 419 D N -2.957 117.424 120.400 -0.032 0.000 2.615 419 D HA 0.145 4.786 4.640 0.002 0.000 0.274 419 D C -0.168 176.094 176.300 -0.064 0.000 1.512 419 D CA -0.011 53.970 54.000 -0.031 0.000 0.803 419 D CB -0.724 40.077 40.800 0.001 0.000 1.182 419 D HN -0.021 nan 8.370 nan 0.000 0.473 420 T N 0.278 114.771 114.554 -0.101 0.000 2.867 420 T HA 0.588 4.940 4.350 0.002 0.000 0.282 420 T C -0.348 174.202 174.700 -0.250 0.000 1.000 420 T CA -0.526 61.477 62.100 -0.160 0.000 1.042 420 T CB 2.276 71.070 68.868 -0.122 0.000 0.973 420 T HN -0.107 nan 8.240 nan 0.000 0.465 421 V N 4.836 124.490 119.914 -0.433 0.000 2.409 421 V HA 0.523 4.645 4.120 0.002 0.000 0.291 421 V C 0.169 175.964 176.094 -0.497 0.000 1.020 421 V CA -0.924 61.053 62.300 -0.539 0.000 0.848 421 V CB 1.352 32.676 31.823 -0.832 0.000 0.990 421 V HN 0.799 nan 8.190 nan 0.000 0.430 422 R N 3.608 123.883 120.500 -0.375 0.000 2.664 422 R HA 0.679 5.020 4.340 0.002 0.000 0.286 422 R C -1.718 174.378 176.300 -0.340 0.000 0.967 422 R CA -0.543 55.427 56.100 -0.217 0.000 0.933 422 R CB 1.618 31.860 30.300 -0.097 0.000 1.146 422 R HN 0.373 nan 8.270 nan 0.000 0.468 423 F N 1.327 121.276 119.950 -0.002 0.000 2.436 423 F HA 0.476 5.004 4.527 0.002 0.000 0.340 423 F C 0.568 176.383 175.800 0.025 0.000 1.113 423 F CA -0.932 57.085 58.000 0.030 0.000 1.022 423 F CB 1.607 40.642 39.000 0.058 0.000 1.128 423 F HN 0.273 nan 8.300 nan 0.000 0.466 424 R N 3.081 123.673 120.500 0.154 0.000 2.629 424 R HA 0.303 4.645 4.340 0.002 0.000 0.277 424 R C -2.990 173.344 176.300 0.056 0.000 1.637 424 R CA -1.908 54.241 56.100 0.081 0.000 1.663 424 R CB 0.559 30.868 30.300 0.016 0.000 1.228 424 R HN 0.279 nan 8.270 nan 0.000 0.632 425 P HA 0.280 nan 4.420 nan 0.000 0.276 425 P C -2.461 174.833 177.300 -0.011 0.000 1.252 425 P CA -1.612 61.511 63.100 0.039 0.000 0.802 425 P CB 0.099 31.838 31.700 0.066 0.000 1.035 426 P HA 0.164 nan 4.420 nan 0.000 0.274 426 P C 1.037 178.305 177.300 -0.052 0.000 1.237 426 P CA -0.136 62.931 63.100 -0.054 0.000 0.793 426 P CB 0.659 32.318 31.700 -0.069 0.000 0.977 427 L N 0.614 121.806 121.223 -0.052 0.000 2.353 427 L HA -0.109 4.233 4.340 0.002 0.000 0.220 427 L C 1.907 178.700 176.870 -0.127 0.000 1.133 427 L CA 1.897 56.698 54.840 -0.065 0.000 0.798 427 L CB -1.233 40.801 42.059 -0.043 0.000 0.922 427 L HN 0.502 nan 8.230 nan 0.000 0.445 428 T N -3.937 110.546 114.554 -0.119 0.000 3.107 428 T HA 0.120 4.472 4.350 0.002 0.000 0.249 428 T C 0.721 175.330 174.700 -0.152 0.000 1.096 428 T CA -0.305 61.710 62.100 -0.142 0.000 1.012 428 T CB -0.211 68.603 68.868 -0.090 0.000 0.977 428 T HN 0.002 nan 8.240 nan 0.000 0.527 429 V N 3.994 123.826 119.914 -0.136 0.000 2.843 429 V HA 0.243 4.365 4.120 0.002 0.000 0.305 429 V C 0.677 176.704 176.094 -0.113 0.000 1.120 429 V CA 0.232 62.480 62.300 -0.088 0.000 1.254 429 V CB 0.378 32.182 31.823 -0.032 0.000 0.901 429 V HN 0.838 nan 8.190 nan 0.000 0.503 430 S N 3.426 119.129 115.700 0.005 0.000 2.713 430 S HA 0.354 4.826 4.470 0.002 0.000 0.283 430 S C 1.228 175.904 174.600 0.127 0.000 1.161 430 S CA 0.038 58.295 58.200 0.096 0.000 0.999 430 S CB 1.502 64.740 63.200 0.062 0.000 1.039 430 S HN 1.065 nan 8.310 nan 0.000 0.548 431 T N -1.649 112.913 114.554 0.013 0.000 2.904 431 T HA 0.025 4.376 4.350 0.002 0.000 0.267 431 T C 1.970 176.631 174.700 -0.066 0.000 1.059 431 T CA 0.884 62.826 62.100 -0.263 0.000 1.137 431 T CB -0.964 67.412 68.868 -0.819 0.000 0.879 431 T HN 0.869 nan 8.240 nan 0.000 0.467 432 A N 1.985 124.796 122.820 -0.014 0.000 1.933 432 A HA -0.086 4.235 4.320 0.002 0.000 0.218 432 A C 2.282 179.918 177.584 0.087 0.000 1.175 432 A CA 1.635 53.698 52.037 0.044 0.000 0.628 432 A CB -0.685 18.339 19.000 0.041 0.000 0.814 432 A HN 0.650 nan 8.150 nan 0.000 0.444 433 E N -0.292 119.962 120.200 0.091 0.000 2.072 433 E HA -0.130 4.221 4.350 0.002 0.000 0.191 433 E C 1.836 178.492 176.600 0.093 0.000 0.985 433 E CA 1.188 57.643 56.400 0.092 0.000 0.801 433 E CB -0.291 29.440 29.700 0.052 0.000 0.750 433 E HN 0.691 nan 8.360 nan 0.000 0.452 434 I N 1.648 122.286 120.570 0.113 0.000 2.208 434 I HA -0.299 3.872 4.170 0.002 0.000 0.245 434 I C 1.806 178.009 176.117 0.143 0.000 1.097 434 I CA 1.118 62.501 61.300 0.139 0.000 1.363 434 I CB -0.241 37.895 38.000 0.226 0.000 1.051 434 I HN 0.070 nan 8.210 nan 0.000 0.413 435 D N 1.001 121.506 120.400 0.174 0.000 2.117 435 D HA -0.166 4.476 4.640 0.002 0.000 0.197 435 D C 2.274 178.634 176.300 0.100 0.000 0.987 435 D CA 1.626 55.710 54.000 0.141 0.000 0.829 435 D CB -0.263 40.622 40.800 0.142 0.000 0.961 435 D HN 0.374 nan 8.370 nan 0.000 0.460 436 A N 1.187 124.067 122.820 0.101 0.000 1.908 436 A HA -0.097 4.225 4.320 0.002 0.000 0.218 436 A C 2.344 179.987 177.584 0.098 0.000 1.181 436 A CA 2.415 54.509 52.037 0.094 0.000 0.627 436 A CB -0.750 18.316 19.000 0.110 0.000 0.818 436 A HN 0.248 nan 8.150 nan 0.000 0.445 437 A N -0.085 122.805 122.820 0.117 0.000 1.902 437 A HA -0.065 4.257 4.320 0.002 0.000 0.217 437 A C 2.026 179.711 177.584 0.168 0.000 1.181 437 A CA 1.624 53.760 52.037 0.165 0.000 0.623 437 A CB -0.479 18.663 19.000 0.237 0.000 0.818 437 A HN 0.421 nan 8.150 nan 0.000 0.443 438 I N -0.024 120.615 120.570 0.114 0.000 2.252 438 I HA -0.227 3.945 4.170 0.002 0.000 0.245 438 I C 2.964 179.121 176.117 0.067 0.000 1.102 438 I CA 1.392 62.738 61.300 0.076 0.000 1.385 438 I CB -1.645 36.362 38.000 0.013 0.000 1.064 438 I HN 0.368 nan 8.210 nan 0.000 0.414 439 A N 1.168 124.027 122.820 0.066 0.000 1.883 439 A HA -0.194 4.127 4.320 0.002 0.000 0.217 439 A C 2.595 180.210 177.584 0.053 0.000 1.186 439 A CA 2.301 54.372 52.037 0.056 0.000 0.624 439 A CB -0.842 18.190 19.000 0.053 0.000 0.822 439 A HN 0.428 nan 8.150 nan 0.000 0.444 440 A N -0.717 122.141 122.820 0.064 0.000 1.902 440 A HA -0.006 4.316 4.320 0.002 0.000 0.217 440 A C 2.243 179.860 177.584 0.056 0.000 1.181 440 A CA 1.850 53.922 52.037 0.057 0.000 0.623 440 A CB -0.909 18.131 19.000 0.066 0.000 0.818 440 A HN 0.417 nan 8.150 nan 0.000 0.443 441 V N -0.080 119.882 119.914 0.080 0.000 2.307 441 V HA -0.263 3.858 4.120 0.002 0.000 0.245 441 V C 2.607 178.667 176.094 -0.057 0.000 1.045 441 V CA 2.197 64.532 62.300 0.058 0.000 1.024 441 V CB -0.828 31.078 31.823 0.138 0.000 0.651 441 V HN 0.527 nan 8.190 nan 0.000 0.449 442 R N 0.009 120.487 120.500 -0.036 0.000 2.091 442 R HA -0.154 4.188 4.340 0.002 0.000 0.238 442 R C 2.574 178.871 176.300 -0.006 0.000 1.136 442 R CA 1.783 57.866 56.100 -0.028 0.000 0.959 442 R CB -0.499 29.854 30.300 0.089 0.000 0.856 442 R HN 0.460 nan 8.270 nan 0.000 0.437 443 S N 0.440 116.148 115.700 0.013 0.000 2.368 443 S HA -0.109 4.362 4.470 0.002 0.000 0.224 443 S C 2.001 176.601 174.600 0.001 0.000 1.029 443 S CA 1.246 59.457 58.200 0.019 0.000 0.988 443 S CB -0.058 63.154 63.200 0.021 0.000 0.838 443 S HN 0.488 nan 8.310 nan 0.000 0.462 444 A N 1.014 123.824 122.820 -0.016 0.000 1.970 444 A HA 0.166 4.487 4.320 0.002 0.000 0.216 444 A C 2.051 179.603 177.584 -0.053 0.000 1.170 444 A CA 0.643 52.670 52.037 -0.015 0.000 0.645 444 A CB -0.532 18.472 19.000 0.007 0.000 0.816 444 A HN 0.420 nan 8.150 nan 0.000 0.447 445 L N -0.351 120.783 121.223 -0.148 0.000 2.012 445 L HA -0.133 4.208 4.340 0.002 0.000 0.210 445 L C -0.469 176.335 176.870 -0.111 0.000 1.073 445 L CA 1.609 56.298 54.840 -0.252 0.000 0.748 445 L CB -1.355 40.265 42.059 -0.732 0.000 0.891 445 L HN 0.228 nan 8.230 nan 0.000 0.431 446 P HA -0.149 nan 4.420 nan 0.000 0.217 446 P C 1.852 179.175 177.300 0.038 0.000 1.148 446 P CA 1.167 64.310 63.100 0.071 0.000 0.828 446 P CB 0.016 31.776 31.700 0.101 0.000 0.783 447 V N 0.016 119.941 119.914 0.019 0.000 2.343 447 V HA -0.192 3.929 4.120 0.002 0.000 0.247 447 V C 2.577 178.681 176.094 0.017 0.000 1.051 447 V CA 2.076 64.387 62.300 0.019 0.000 1.036 447 V CB -1.485 30.348 31.823 0.017 0.000 0.654 447 V HN 0.087 nan 8.190 nan 0.000 0.451 448 V N 0.083 120.002 119.914 0.008 0.000 2.379 448 V HA -0.086 4.035 4.120 0.002 0.000 0.245 448 V C 1.739 177.845 176.094 0.021 0.000 1.044 448 V CA 1.635 63.942 62.300 0.012 0.000 1.036 448 V CB -1.292 30.536 31.823 0.008 0.000 0.664 448 V HN 0.693 nan 8.190 nan 0.000 0.453 449 T N 0.000 114.570 114.554 0.027 0.000 3.816 449 T HA 0.000 4.351 4.350 0.002 0.000 0.228 449 T CA 0.000 62.126 62.100 0.043 0.000 1.349 449 T CB 0.000 68.911 68.868 0.072 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658