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 2cin_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 0.011 0.000 1.349 15 T CB 0.000 68.874 68.868 0.010 0.000 0.612 16 T N 1.376 115.943 114.554 0.022 0.000 2.918 16 T HA 0.646 4.997 4.350 0.002 0.000 0.286 16 T C -1.768 172.956 174.700 0.039 0.000 1.026 16 T CA -1.977 60.140 62.100 0.027 0.000 1.031 16 T CB 1.107 69.990 68.868 0.026 0.000 1.046 16 T HN 0.431 nan 8.240 nan 0.000 0.479 17 P HA -0.155 nan 4.420 nan 0.000 0.218 17 P C 1.108 178.459 177.300 0.084 0.000 1.154 17 P CA 1.215 64.354 63.100 0.064 0.000 0.872 17 P CB 0.053 31.791 31.700 0.063 0.000 0.790 18 D N -1.193 119.247 120.400 0.067 0.000 2.371 18 D HA -0.141 4.500 4.640 0.002 0.000 0.221 18 D C 1.460 177.802 176.300 0.071 0.000 0.986 18 D CA 0.732 54.771 54.000 0.066 0.000 0.899 18 D CB -0.398 40.428 40.800 0.044 0.000 0.902 18 D HN 0.235 nan 8.370 nan 0.000 0.530 19 R N 0.027 120.567 120.500 0.066 0.000 2.362 19 R HA 0.175 4.517 4.340 0.002 0.000 0.227 19 R C 2.058 178.399 176.300 0.068 0.000 0.905 19 R CA -0.138 55.998 56.100 0.060 0.000 1.067 19 R CB 0.594 30.917 30.300 0.038 0.000 1.078 19 R HN 0.016 nan 8.270 nan 0.000 0.516 20 V N 0.769 120.733 119.914 0.083 0.000 2.255 20 V HA -0.311 3.810 4.120 0.002 0.000 0.247 20 V C 2.108 178.209 176.094 0.012 0.000 1.051 20 V CA 1.813 64.135 62.300 0.036 0.000 1.018 20 V CB -0.550 31.282 31.823 0.016 0.000 0.641 20 V HN 0.447 nan 8.190 nan 0.000 0.445 21 H N -0.536 118.539 119.070 0.009 0.000 2.387 21 H HA -0.177 4.380 4.556 0.002 0.000 0.299 21 H C 2.419 177.749 175.328 0.003 0.000 1.090 21 H CA 1.771 57.822 56.048 0.004 0.000 1.332 21 H CB 0.139 29.903 29.762 0.003 0.000 1.386 21 H HN 0.592 nan 8.280 nan 0.000 0.516 22 E N 1.099 121.374 120.200 0.125 0.000 2.028 22 E HA -0.121 4.230 4.350 0.002 0.000 0.191 22 E C 2.371 178.994 176.600 0.038 0.000 0.988 22 E CA 1.090 57.530 56.400 0.067 0.000 0.799 22 E CB 0.153 29.885 29.700 0.052 0.000 0.755 22 E HN 0.101 nan 8.360 nan 0.000 0.447 23 V N 1.616 121.546 119.914 0.027 0.000 2.287 23 V HA -0.283 3.838 4.120 0.002 0.000 0.248 23 V C 2.564 178.658 176.094 -0.001 0.000 1.053 23 V CA 1.689 63.995 62.300 0.010 0.000 1.027 23 V CB -0.493 31.333 31.823 0.005 0.000 0.646 23 V HN 0.343 nan 8.190 nan 0.000 0.447 24 L N 0.334 121.548 121.223 -0.015 0.000 2.093 24 L HA -0.063 4.278 4.340 0.002 0.000 0.208 24 L C 2.617 179.480 176.870 -0.012 0.000 1.085 24 L CA 1.614 56.437 54.840 -0.029 0.000 0.755 24 L CB -1.121 40.895 42.059 -0.072 0.000 0.904 24 L HN 0.484 nan 8.230 nan 0.000 0.435 25 G N -0.167 108.637 108.800 0.006 0.000 2.470 25 G HA2 -0.215 3.746 3.960 0.002 0.000 0.220 25 G HA3 -0.215 3.746 3.960 0.002 0.000 0.220 25 G C 1.686 176.593 174.900 0.011 0.000 1.121 25 G CA 0.221 45.331 45.100 0.016 0.000 0.766 25 G HN 0.327 nan 8.290 nan 0.000 0.553 26 R N 0.162 120.667 120.500 0.009 0.000 2.189 26 R HA 0.048 4.390 4.340 0.002 0.000 0.223 26 R C 2.021 178.323 176.300 0.004 0.000 1.092 26 R CA 1.307 57.411 56.100 0.007 0.000 0.989 26 R CB 0.035 30.339 30.300 0.006 0.000 0.876 26 R HN 0.311 nan 8.270 nan 0.000 0.457 27 S N -0.878 114.823 115.700 0.001 0.000 2.593 27 S HA 0.288 4.759 4.470 0.002 0.000 0.235 27 S C 0.347 174.947 174.600 -0.000 0.000 1.059 27 S CA 0.040 58.240 58.200 -0.000 0.000 0.953 27 S CB 0.701 63.899 63.200 -0.003 0.000 0.897 27 S HN 0.055 nan 8.310 nan 0.000 0.507 28 M N 0.765 120.364 119.600 -0.002 0.000 2.618 28 M HA 0.480 4.961 4.480 0.002 0.000 0.281 28 M C -1.686 174.614 176.300 0.001 0.000 1.267 28 M CA -0.855 54.444 55.300 -0.002 0.000 0.845 28 M CB 1.513 34.107 32.600 -0.009 0.000 1.732 28 M HN -0.081 nan 8.290 nan 0.000 0.461 29 L N 2.048 123.273 121.223 0.004 0.000 2.433 29 L HA 0.252 4.594 4.340 0.002 0.000 0.275 29 L C -0.314 176.556 176.870 0.001 0.000 1.128 29 L CA 0.187 55.030 54.840 0.005 0.000 0.875 29 L CB 0.896 42.960 42.059 0.009 0.000 1.171 29 L HN 0.541 nan 8.230 nan 0.000 0.463 30 V N 5.966 125.883 119.914 0.006 0.000 2.192 30 V HA 0.311 4.433 4.120 0.002 0.000 0.264 30 V C 0.292 176.395 176.094 0.016 0.000 1.155 30 V CA -0.261 62.043 62.300 0.007 0.000 1.005 30 V CB 0.213 32.049 31.823 0.023 0.000 1.201 30 V HN 0.927 nan 8.190 nan 0.000 0.468 31 D N 2.928 123.325 120.400 -0.006 0.000 2.368 31 D HA 0.211 4.852 4.640 0.002 0.000 0.218 31 D C 0.879 177.150 176.300 -0.049 0.000 1.112 31 D CA 0.350 54.336 54.000 -0.023 0.000 0.834 31 D CB 0.702 41.487 40.800 -0.025 0.000 0.953 31 D HN 0.537 nan 8.370 nan 0.000 0.505 32 G N 0.559 109.337 108.800 -0.037 0.000 2.494 32 G HA2 0.422 4.383 3.960 0.002 0.000 0.270 32 G HA3 0.422 4.383 3.960 0.002 0.000 0.270 32 G C 0.216 175.050 174.900 -0.109 0.000 1.423 32 G CA -0.776 44.284 45.100 -0.067 0.000 1.055 32 G HN 0.184 nan 8.290 nan 0.000 0.536 33 L N -0.117 121.018 121.223 -0.145 0.000 2.467 33 L HA 0.079 4.420 4.340 0.002 0.000 0.270 33 L C 1.038 177.877 176.870 -0.050 0.000 1.205 33 L CA -0.457 54.230 54.840 -0.254 0.000 0.828 33 L CB 0.495 42.403 42.059 -0.253 0.000 1.101 33 L HN 0.407 nan 8.230 nan 0.000 0.479 34 D N 1.085 121.405 120.400 -0.133 0.000 2.350 34 D HA 0.003 4.644 4.640 0.002 0.000 0.216 34 D C 0.611 176.985 176.300 0.123 0.000 0.968 34 D CA 0.667 54.669 54.000 0.004 0.000 0.894 34 D CB -0.070 40.774 40.800 0.073 0.000 0.909 34 D HN 0.440 nan 8.370 nan 0.000 0.520 35 I N -2.553 118.134 120.570 0.195 0.000 2.934 35 I HA 0.359 4.531 4.170 0.002 0.000 0.315 35 I C -0.154 176.101 176.117 0.230 0.000 0.997 35 I CA -0.927 60.478 61.300 0.175 0.000 1.184 35 I CB 1.378 39.410 38.000 0.054 0.000 1.400 35 I HN -0.429 nan 8.210 nan 0.000 0.549 36 V N 4.286 124.308 119.914 0.179 0.000 2.409 36 V HA 0.290 4.412 4.120 0.002 0.000 0.291 36 V C 0.074 176.238 176.094 0.117 0.000 1.020 36 V CA -0.675 61.712 62.300 0.145 0.000 0.848 36 V CB 1.473 33.380 31.823 0.140 0.000 0.990 36 V HN 0.574 nan 8.190 nan 0.000 0.430 37 L N 4.243 125.533 121.223 0.112 0.000 2.477 37 L HA 0.217 4.558 4.340 0.002 0.000 0.272 37 L C 0.304 177.239 176.870 0.108 0.000 1.157 37 L CA 0.237 55.157 54.840 0.133 0.000 0.889 37 L CB 0.693 42.849 42.059 0.162 0.000 1.158 37 L HN 0.702 nan 8.230 nan 0.000 0.473 38 D N 5.253 125.721 120.400 0.113 0.000 2.352 38 D HA 0.067 4.709 4.640 0.002 0.000 0.245 38 D C 1.129 177.487 176.300 0.098 0.000 1.224 38 D CA -0.151 53.905 54.000 0.093 0.000 0.879 38 D CB 1.119 41.973 40.800 0.090 0.000 1.057 38 D HN 0.539 nan 8.370 nan 0.000 0.491 39 L N 2.635 123.904 121.223 0.076 0.000 2.201 39 L HA -0.112 4.229 4.340 0.002 0.000 0.212 39 L C 2.075 178.986 176.870 0.068 0.000 1.105 39 L CA 0.798 55.682 54.840 0.073 0.000 0.775 39 L CB -0.099 41.983 42.059 0.039 0.000 0.913 39 L HN 0.371 nan 8.230 nan 0.000 0.440 40 T N -1.232 113.356 114.554 0.057 0.000 2.983 40 T HA 0.013 4.364 4.350 0.002 0.000 0.250 40 T C 1.991 176.725 174.700 0.058 0.000 1.037 40 T CA 0.584 62.713 62.100 0.048 0.000 1.142 40 T CB 0.154 69.042 68.868 0.033 0.000 0.876 40 T HN 0.218 nan 8.240 nan 0.000 0.455 41 R N 1.121 121.659 120.500 0.064 0.000 2.246 41 R HA 0.249 4.590 4.340 0.002 0.000 0.199 41 R C 0.731 177.081 176.300 0.084 0.000 0.984 41 R CA 0.002 56.140 56.100 0.064 0.000 1.015 41 R CB 0.150 30.482 30.300 0.055 0.000 0.930 41 R HN 0.144 nan 8.270 nan 0.000 0.475 42 S N 0.056 115.820 115.700 0.107 0.000 2.568 42 S HA 0.381 4.853 4.470 0.002 0.000 0.282 42 S C 0.327 175.001 174.600 0.124 0.000 1.338 42 S CA 0.073 58.354 58.200 0.135 0.000 1.045 42 S CB 1.483 64.778 63.200 0.158 0.000 0.873 42 S HN 0.463 nan 8.310 nan 0.000 0.516 43 G N -0.253 108.632 108.800 0.140 0.000 2.716 43 G HA2 0.571 4.533 3.960 0.002 0.000 0.299 43 G HA3 0.571 4.533 3.960 0.002 0.000 0.299 43 G C 0.036 175.019 174.900 0.138 0.000 1.450 43 G CA 0.200 45.372 45.100 0.120 0.000 0.968 43 G HN 1.149 nan 8.290 nan 0.000 0.566 44 G N 1.300 110.155 108.800 0.092 0.000 2.596 44 G HA2 -0.199 3.762 3.960 0.002 0.000 0.304 44 G HA3 -0.199 3.762 3.960 0.002 0.000 0.304 44 G C 1.389 176.308 174.900 0.031 0.000 1.189 44 G CA 0.957 46.100 45.100 0.072 0.000 0.986 44 G HN 1.774 nan 8.290 nan 0.000 0.548 45 S N 0.691 116.395 115.700 0.007 0.000 2.634 45 S HA 0.430 4.901 4.470 0.002 0.000 0.221 45 S C -0.396 173.905 174.600 -0.498 0.000 0.952 45 S CA 0.351 58.415 58.200 -0.227 0.000 0.930 45 S CB -0.017 63.006 63.200 -0.295 0.000 0.780 45 S HN 0.410 nan 8.310 nan 0.000 0.498 46 Y N 0.897 121.216 120.300 0.031 0.000 2.350 46 Y HA 0.503 5.054 4.550 0.002 0.000 0.338 46 Y C -0.079 175.864 175.900 0.071 0.000 0.961 46 Y CA -1.007 57.125 58.100 0.053 0.000 1.100 46 Y CB 0.915 39.400 38.460 0.042 0.000 1.179 46 Y HN -0.023 nan 8.280 nan 0.000 0.454 47 L N 4.092 125.439 121.223 0.208 0.000 2.334 47 L HA 0.606 4.948 4.340 0.002 0.000 0.277 47 L C -0.598 176.426 176.870 0.256 0.000 1.075 47 L CA -1.117 53.845 54.840 0.203 0.000 0.804 47 L CB 1.137 43.294 42.059 0.163 0.000 1.174 47 L HN 0.315 nan 8.230 nan 0.000 0.438 48 V N 1.145 121.183 119.914 0.207 0.000 2.417 48 V HA 0.154 4.276 4.120 0.002 0.000 0.291 48 V C -0.317 175.884 176.094 0.179 0.000 1.024 48 V CA -0.626 61.790 62.300 0.192 0.000 0.861 48 V CB 1.839 33.743 31.823 0.134 0.000 0.985 48 V HN 0.662 nan 8.190 nan 0.000 0.436 49 D N 3.891 124.416 120.400 0.209 0.000 2.339 49 D HA 0.352 4.993 4.640 0.002 0.000 0.256 49 D C 0.988 177.365 176.300 0.128 0.000 1.214 49 D CA 0.257 54.357 54.000 0.167 0.000 0.877 49 D CB 1.857 42.790 40.800 0.222 0.000 1.111 49 D HN 0.606 nan 8.370 nan 0.000 0.478 50 A N 4.272 127.157 122.820 0.109 0.000 2.070 50 A HA -0.104 4.217 4.320 0.002 0.000 0.220 50 A C 2.121 179.752 177.584 0.078 0.000 1.159 50 A CA 0.798 52.887 52.037 0.086 0.000 0.656 50 A CB -0.445 18.601 19.000 0.077 0.000 0.800 50 A HN 0.761 nan 8.150 nan 0.000 0.453 51 I N -0.338 120.286 120.570 0.089 0.000 2.193 51 I HA -0.173 3.998 4.170 0.002 0.000 0.240 51 I C 2.744 178.901 176.117 0.066 0.000 1.084 51 I CA 1.877 63.222 61.300 0.075 0.000 1.365 51 I CB -0.251 37.797 38.000 0.079 0.000 1.064 51 I HN 0.501 nan 8.210 nan 0.000 0.410 52 T N -2.854 111.747 114.554 0.078 0.000 3.037 52 T HA 0.282 4.633 4.350 0.002 0.000 0.252 52 T C 1.627 176.357 174.700 0.050 0.000 1.073 52 T CA 0.514 62.651 62.100 0.061 0.000 1.091 52 T CB 0.612 69.520 68.868 0.067 0.000 0.935 52 T HN 0.502 nan 8.240 nan 0.000 0.488 53 G N 1.677 110.517 108.800 0.066 0.000 2.179 53 G HA2 -0.292 3.669 3.960 0.002 0.000 0.260 53 G HA3 -0.292 3.669 3.960 0.002 0.000 0.260 53 G C 0.183 175.109 174.900 0.043 0.000 0.977 53 G CA 0.152 45.283 45.100 0.052 0.000 0.641 53 G HN 0.835 nan 8.290 nan 0.000 0.533 54 R N 0.493 121.026 120.500 0.055 0.000 2.537 54 R HA 0.587 4.928 4.340 0.002 0.000 0.280 54 R C 0.535 176.860 176.300 0.040 0.000 1.058 54 R CA -0.092 56.001 56.100 -0.013 0.000 1.057 54 R CB 0.204 30.464 30.300 -0.067 0.000 0.973 54 R HN 0.320 nan 8.270 nan 0.000 0.438 55 R N 2.927 123.392 120.500 -0.058 0.000 2.368 55 R HA 0.300 4.641 4.340 0.002 0.000 0.302 55 R C -1.114 175.160 176.300 -0.043 0.000 1.002 55 R CA -0.144 55.988 56.100 0.053 0.000 0.929 55 R CB 0.865 31.161 30.300 -0.007 0.000 1.073 55 R HN 0.558 nan 8.270 nan 0.000 0.464 56 Y N 2.872 123.235 120.300 0.105 0.000 2.341 56 Y HA 0.288 4.839 4.550 0.002 0.000 0.338 56 Y C -0.429 175.494 175.900 0.038 0.000 0.965 56 Y CA -1.033 57.075 58.100 0.012 0.000 1.108 56 Y CB 1.526 39.934 38.460 -0.086 0.000 1.180 56 Y HN 0.385 nan 8.280 nan 0.000 0.458 57 L N 4.440 125.706 121.223 0.072 0.000 2.418 57 L HA 0.227 4.568 4.340 0.002 0.000 0.274 57 L C -0.340 176.483 176.870 -0.078 0.000 1.135 57 L CA 0.150 54.880 54.840 -0.183 0.000 0.870 57 L CB 0.223 42.216 42.059 -0.110 0.000 1.154 57 L HN 0.560 nan 8.230 nan 0.000 0.462 58 D N 5.829 126.131 120.400 -0.164 0.000 2.443 58 D HA 0.222 4.863 4.640 0.002 0.000 0.221 58 D C -0.032 176.262 176.300 -0.009 0.000 1.097 58 D CA -0.150 53.831 54.000 -0.033 0.000 0.865 58 D CB 0.640 41.391 40.800 -0.081 0.000 1.034 58 D HN 0.496 nan 8.370 nan 0.000 0.511 59 M N 4.140 123.786 119.600 0.078 0.000 2.673 59 M HA 0.147 4.629 4.480 0.002 0.000 0.334 59 M C 0.119 176.490 176.300 0.118 0.000 1.211 59 M CA -0.212 55.150 55.300 0.104 0.000 0.962 59 M CB -0.233 32.466 32.600 0.165 0.000 1.343 59 M HN 0.461 nan 8.290 nan 0.000 0.511 60 F N 0.368 120.273 119.950 -0.075 0.000 2.640 60 F HA 0.111 4.640 4.527 0.002 0.000 0.285 60 F C 1.095 176.835 175.800 -0.102 0.000 1.031 60 F CA 1.131 59.083 58.000 -0.080 0.000 1.240 60 F CB 0.212 39.173 39.000 -0.064 0.000 1.011 60 F HN 0.282 nan 8.300 nan 0.000 0.656 61 T N 0.250 114.444 114.554 -0.601 0.000 3.795 61 T HA -0.324 4.027 4.350 0.002 0.000 0.370 61 T C -0.124 174.087 174.700 -0.815 0.000 0.761 61 T CA 0.594 62.285 62.100 -0.682 0.000 1.923 61 T CB -3.460 65.227 68.868 -0.302 0.000 1.795 61 T HN 0.804 nan 8.240 nan 0.000 0.762 62 F N -1.937 117.266 119.950 -1.245 0.000 2.969 62 F HA -0.164 4.364 4.527 0.002 0.000 0.273 62 F C 1.210 176.660 175.800 -0.584 0.000 0.986 62 F CA 0.233 57.725 58.000 -0.846 0.000 0.926 62 F CB -2.606 36.222 39.000 -0.287 0.000 0.887 62 F HN 1.123 nan 8.300 nan 0.000 0.816 63 V N -2.130 117.387 119.914 -0.662 0.000 5.961 63 V HA -0.078 4.043 4.120 0.002 0.000 0.311 63 V C 1.320 177.344 176.094 -0.117 0.000 0.552 63 V CA 0.900 63.097 62.300 -0.172 0.000 0.641 63 V CB -2.306 29.530 31.823 0.021 0.000 0.286 63 V HN 2.373 nan 8.190 nan 0.000 0.939 64 A N -0.466 122.249 122.820 -0.175 0.000 2.847 64 A HA -0.226 4.096 4.320 0.002 0.000 0.263 64 A C 1.663 179.236 177.584 -0.018 0.000 1.391 64 A CA 2.002 53.993 52.037 -0.076 0.000 0.866 64 A CB -1.962 17.028 19.000 -0.016 0.000 1.057 64 A HN 2.346 nan 8.150 nan 0.000 0.673 65 S N -1.442 114.254 115.700 -0.008 0.000 2.556 65 S HA 0.497 4.969 4.470 0.002 0.000 0.216 65 S C 0.530 175.184 174.600 0.090 0.000 0.970 65 S CA 0.818 59.059 58.200 0.068 0.000 0.912 65 S CB 0.122 63.377 63.200 0.091 0.000 0.790 65 S HN 1.609 nan 8.310 nan 0.000 0.504 66 S N 0.610 116.341 115.700 0.052 0.000 2.498 66 S HA 0.727 5.198 4.470 0.002 0.000 0.324 66 S C 0.892 175.498 174.600 0.010 0.000 1.071 66 S CA -0.218 58.020 58.200 0.062 0.000 1.113 66 S CB 0.988 64.223 63.200 0.058 0.000 0.976 66 S HN 0.481 nan 8.310 nan 0.000 0.462 67 A N 4.863 127.698 122.820 0.024 0.000 1.930 67 A HA 0.213 4.534 4.320 0.002 0.000 0.215 67 A C 1.436 179.010 177.584 -0.016 0.000 1.176 67 A CA 0.846 52.885 52.037 0.004 0.000 0.632 67 A CB -0.297 18.709 19.000 0.009 0.000 0.819 67 A HN 0.795 nan 8.150 nan 0.000 0.445 68 L N -1.353 119.863 121.223 -0.010 0.000 2.693 68 L HA 0.392 4.733 4.340 0.002 0.000 0.235 68 L C 1.180 178.041 176.870 -0.014 0.000 1.127 68 L CA 0.122 54.948 54.840 -0.022 0.000 0.914 68 L CB -0.557 41.487 42.059 -0.026 0.000 1.193 68 L HN 0.575 nan 8.230 nan 0.000 0.502 69 G N 0.780 109.571 108.800 -0.016 0.000 2.741 69 G HA2 -0.214 3.748 3.960 0.002 0.000 0.222 69 G HA3 -0.214 3.748 3.960 0.002 0.000 0.222 69 G C -0.279 174.645 174.900 0.040 0.000 1.364 69 G CA -0.772 44.314 45.100 -0.024 0.000 0.866 69 G HN -0.087 nan 8.290 nan 0.000 0.555 70 M N 1.473 121.107 119.600 0.057 0.000 2.233 70 M HA 0.225 4.707 4.480 0.002 0.000 0.350 70 M C 1.012 177.372 176.300 0.100 0.000 1.176 70 M CA -0.098 55.276 55.300 0.122 0.000 1.150 70 M CB 0.246 32.934 32.600 0.147 0.000 1.530 70 M HN 0.748 nan 8.290 nan 0.000 0.459 71 N N 0.741 119.506 118.700 0.108 0.000 2.688 71 N HA -0.126 4.615 4.740 0.002 0.000 0.258 71 N C -2.479 173.077 175.510 0.077 0.000 1.016 71 N CA 0.271 53.378 53.050 0.096 0.000 0.747 71 N CB -1.526 37.016 38.487 0.091 0.000 0.895 71 N HN 0.381 nan 8.380 nan 0.000 0.543 72 P HA 0.096 nan 4.420 nan 0.000 0.267 72 P C -1.558 175.762 177.300 0.034 0.000 1.205 72 P CA -1.005 62.114 63.100 0.032 0.000 0.765 72 P CB 0.362 32.063 31.700 0.002 0.000 0.828 73 P HA -0.250 nan 4.420 nan 0.000 0.216 73 P C 1.381 178.685 177.300 0.007 0.000 1.154 73 P CA 2.219 65.334 63.100 0.024 0.000 0.865 73 P CB -0.362 31.343 31.700 0.009 0.000 0.789 74 A N -1.845 120.958 122.820 -0.028 0.000 2.019 74 A HA -0.146 4.175 4.320 0.002 0.000 0.219 74 A C 1.976 179.505 177.584 -0.091 0.000 1.164 74 A CA 1.469 53.465 52.037 -0.068 0.000 0.644 74 A CB -1.291 17.648 19.000 -0.101 0.000 0.805 74 A HN 0.106 nan 8.150 nan 0.000 0.449 75 L N -1.410 119.782 121.223 -0.052 0.000 2.145 75 L HA 0.027 4.369 4.340 0.002 0.000 0.201 75 L C 2.475 179.514 176.870 0.280 0.000 1.075 75 L CA 1.002 55.846 54.840 0.008 0.000 0.773 75 L CB -0.608 41.468 42.059 0.028 0.000 0.936 75 L HN 0.143 nan 8.230 nan 0.000 0.451 76 V N -0.167 119.889 119.914 0.236 0.000 2.407 76 V HA -0.256 3.866 4.120 0.002 0.000 0.248 76 V C 1.594 177.863 176.094 0.293 0.000 1.055 76 V CA 1.757 64.246 62.300 0.316 0.000 1.049 76 V CB -0.501 31.423 31.823 0.168 0.000 0.662 76 V HN 0.416 nan 8.190 nan 0.000 0.455 77 D N -0.830 119.634 120.400 0.107 0.000 2.349 77 D HA 0.021 4.662 4.640 0.002 0.000 0.215 77 D C 0.743 176.983 176.300 -0.099 0.000 1.016 77 D CA 0.334 54.352 54.000 0.030 0.000 0.870 77 D CB -0.071 40.738 40.800 0.015 0.000 0.917 77 D HN 0.358 nan 8.370 nan 0.000 0.524 78 D N 0.265 120.553 120.400 -0.187 0.000 2.422 78 D HA 0.138 4.779 4.640 0.002 0.000 0.227 78 D C 1.422 177.451 176.300 -0.452 0.000 1.190 78 D CA -0.072 53.810 54.000 -0.196 0.000 0.905 78 D CB 0.504 41.270 40.800 -0.056 0.000 1.034 78 D HN -0.008 nan 8.370 nan 0.000 0.507 79 R N 3.430 123.748 120.500 -0.303 0.000 2.115 79 R HA -0.089 4.253 4.340 0.002 0.000 0.230 79 R C 1.897 178.139 176.300 -0.098 0.000 1.111 79 R CA 1.452 57.412 56.100 -0.234 0.000 0.976 79 R CB -0.911 29.355 30.300 -0.057 0.000 0.870 79 R HN 0.588 nan 8.270 nan 0.000 0.445 80 E N -0.813 119.359 120.200 -0.046 0.000 2.072 80 E HA -0.105 4.247 4.350 0.002 0.000 0.191 80 E C 1.829 178.460 176.600 0.051 0.000 0.985 80 E CA 1.274 57.681 56.400 0.012 0.000 0.801 80 E CB -0.212 29.505 29.700 0.029 0.000 0.750 80 E HN 0.598 nan 8.360 nan 0.000 0.452 81 F N 1.607 121.508 119.950 -0.081 0.000 2.134 81 F HA -0.223 4.305 4.527 0.002 0.000 0.299 81 F C 2.123 177.964 175.800 0.069 0.000 1.097 81 F CA 1.607 59.592 58.000 -0.025 0.000 1.264 81 F CB -0.275 38.700 39.000 -0.042 0.000 1.001 81 F HN 0.064 nan 8.300 nan 0.000 0.479 82 H N 0.335 119.295 119.070 -0.184 0.000 2.319 82 H HA -0.141 4.416 4.556 0.002 0.000 0.297 82 H C 2.450 177.630 175.328 -0.247 0.000 1.097 82 H CA 1.382 57.278 56.048 -0.253 0.000 1.285 82 H CB -1.299 28.416 29.762 -0.080 0.000 1.368 82 H HN 0.371 nan 8.280 nan 0.000 0.495 83 A N 0.945 123.757 122.820 -0.013 0.000 1.902 83 A HA -0.201 4.120 4.320 0.002 0.000 0.217 83 A C 2.345 179.874 177.584 -0.090 0.000 1.181 83 A CA 1.885 53.897 52.037 -0.040 0.000 0.623 83 A CB -0.391 18.603 19.000 -0.011 0.000 0.818 83 A HN 0.529 nan 8.150 nan 0.000 0.443 84 E N -0.836 119.290 120.200 -0.124 0.000 2.047 84 E HA -0.145 4.206 4.350 0.002 0.000 0.191 84 E C 1.956 178.437 176.600 -0.197 0.000 0.987 84 E CA 1.097 57.429 56.400 -0.114 0.000 0.799 84 E CB -0.249 29.430 29.700 -0.035 0.000 0.752 84 E HN 0.472 nan 8.360 nan 0.000 0.449 85 L N 0.648 121.621 121.223 -0.417 0.000 2.012 85 L HA -0.184 4.157 4.340 0.002 0.000 0.210 85 L C 2.338 179.073 176.870 -0.225 0.000 1.073 85 L CA 1.664 56.262 54.840 -0.404 0.000 0.748 85 L CB -0.364 41.274 42.059 -0.702 0.000 0.891 85 L HN 0.168 nan 8.230 nan 0.000 0.431 86 M N -0.631 118.853 119.600 -0.193 0.000 2.080 86 M HA -0.252 4.230 4.480 0.002 0.000 0.260 86 M C 2.235 178.478 176.300 -0.095 0.000 1.068 86 M CA 1.818 57.042 55.300 -0.126 0.000 1.109 86 M CB -0.515 32.025 32.600 -0.101 0.000 1.342 86 M HN 0.386 nan 8.290 nan 0.000 0.405 87 Q N -0.746 119.003 119.800 -0.085 0.000 2.096 87 Q HA -0.151 4.190 4.340 0.002 0.000 0.204 87 Q C 2.074 178.039 176.000 -0.060 0.000 0.982 87 Q CA 1.822 57.590 55.803 -0.058 0.000 0.850 87 Q CB -0.423 28.289 28.738 -0.043 0.000 0.901 87 Q HN 0.709 nan 8.270 nan 0.000 0.422 88 A N 0.707 123.481 122.820 -0.076 0.000 1.897 88 A HA 0.012 4.333 4.320 0.002 0.000 0.215 88 A C 2.216 179.747 177.584 -0.089 0.000 1.181 88 A CA 1.318 53.310 52.037 -0.075 0.000 0.620 88 A CB -0.552 18.400 19.000 -0.080 0.000 0.821 88 A HN 0.375 nan 8.150 nan 0.000 0.443 89 A N -0.530 122.230 122.820 -0.100 0.000 2.066 89 A HA 0.143 4.465 4.320 0.002 0.000 0.218 89 A C 2.036 179.566 177.584 -0.091 0.000 1.157 89 A CA 0.992 52.967 52.037 -0.104 0.000 0.670 89 A CB -0.477 18.458 19.000 -0.108 0.000 0.804 89 A HN 0.445 nan 8.150 nan 0.000 0.453 90 L N -0.346 120.832 121.223 -0.075 0.000 2.141 90 L HA -0.076 4.265 4.340 0.002 0.000 0.209 90 L C 0.575 177.412 176.870 -0.055 0.000 1.094 90 L CA 0.678 55.482 54.840 -0.060 0.000 0.763 90 L CB -0.259 41.772 42.059 -0.047 0.000 0.908 90 L HN 0.430 nan 8.230 nan 0.000 0.437 91 N N -0.795 117.870 118.700 -0.058 0.000 2.701 91 N HA 0.287 5.028 4.740 0.002 0.000 0.290 91 N C -0.848 174.616 175.510 -0.077 0.000 1.338 91 N CA -0.590 52.431 53.050 -0.047 0.000 0.799 91 N CB 1.877 40.351 38.487 -0.022 0.000 1.491 91 N HN -0.167 nan 8.380 nan 0.000 0.540 92 K N 1.266 121.629 120.400 -0.062 0.000 2.756 92 K HA 0.366 4.687 4.320 0.002 0.000 0.218 92 K C -2.727 173.888 176.600 0.024 0.000 1.057 92 K CA -1.178 55.033 56.287 -0.128 0.000 1.056 92 K CB 0.765 33.065 32.500 -0.334 0.000 1.235 92 K HN 0.270 nan 8.250 nan 0.000 0.547 93 P HA 0.034 nan 4.420 nan 0.000 0.272 93 P C -0.748 176.705 177.300 0.254 0.000 1.230 93 P CA -0.391 62.782 63.100 0.122 0.000 0.788 93 P CB 0.838 32.577 31.700 0.065 0.000 0.949 94 S N 1.012 116.851 115.700 0.232 0.000 2.701 94 S HA 0.114 4.585 4.470 0.002 0.000 0.317 94 S C 0.858 175.529 174.600 0.119 0.000 1.149 94 S CA -0.617 57.708 58.200 0.208 0.000 1.052 94 S CB -0.713 62.523 63.200 0.059 0.000 1.257 94 S HN 0.254 nan 8.310 nan 0.000 0.532 95 N N 2.851 121.645 118.700 0.157 0.000 2.364 95 N HA -0.096 4.645 4.740 0.002 0.000 0.183 95 N C 1.408 177.031 175.510 0.189 0.000 1.022 95 N CA 0.895 54.040 53.050 0.160 0.000 0.883 95 N CB -0.376 38.207 38.487 0.160 0.000 0.965 95 N HN 0.596 nan 8.380 nan 0.000 0.438 96 S N 0.898 116.682 115.700 0.140 0.000 2.383 96 S HA -0.103 4.368 4.470 0.002 0.000 0.229 96 S C 1.107 175.746 174.600 0.065 0.000 1.030 96 S CA 1.205 59.487 58.200 0.137 0.000 1.002 96 S CB 0.041 63.296 63.200 0.091 0.000 0.829 96 S HN 0.445 nan 8.310 nan 0.000 0.467 97 D N -0.498 119.859 120.400 -0.072 0.000 2.482 97 D HA 0.168 4.809 4.640 0.002 0.000 0.251 97 D C -0.170 175.859 176.300 -0.452 0.000 1.073 97 D CA 0.418 54.297 54.000 -0.202 0.000 0.892 97 D CB 0.640 41.372 40.800 -0.113 0.000 1.202 97 D HN 0.160 nan 8.370 nan 0.000 0.496 98 V N 2.647 122.344 119.914 -0.363 0.000 2.376 98 V HA 0.244 4.366 4.120 0.002 0.000 0.287 98 V C -0.967 175.008 176.094 -0.197 0.000 1.015 98 V CA -0.872 61.241 62.300 -0.312 0.000 0.834 98 V CB 0.744 32.505 31.823 -0.103 0.000 1.001 98 V HN -0.045 nan 8.190 nan 0.000 0.428 99 Y N 2.300 122.634 120.300 0.056 0.000 2.335 99 Y HA 0.727 5.279 4.550 0.002 0.000 0.323 99 Y C 0.882 176.811 175.900 0.048 0.000 1.224 99 Y CA -0.995 57.140 58.100 0.058 0.000 1.241 99 Y CB 1.677 40.175 38.460 0.063 0.000 1.235 99 Y HN 0.734 nan 8.280 nan 0.000 0.492 100 S N -1.161 114.675 115.700 0.226 0.000 2.618 100 S HA 0.497 4.968 4.470 0.002 0.000 0.277 100 S C 0.091 174.759 174.600 0.113 0.000 1.138 100 S CA -0.828 57.451 58.200 0.132 0.000 0.844 100 S CB 1.278 64.532 63.200 0.090 0.000 1.127 100 S HN 0.273 nan 8.310 nan 0.000 0.474 101 V N 1.356 121.321 119.914 0.084 0.000 2.343 101 V HA -0.137 3.985 4.120 0.002 0.000 0.247 101 V C 2.985 179.125 176.094 0.076 0.000 1.051 101 V CA 2.559 64.901 62.300 0.071 0.000 1.036 101 V CB -1.600 30.256 31.823 0.056 0.000 0.654 101 V HN 1.024 nan 8.190 nan 0.000 0.451 102 A N -0.400 122.462 122.820 0.071 0.000 1.892 102 A HA -0.336 3.986 4.320 0.002 0.000 0.218 102 A C 2.302 179.947 177.584 0.102 0.000 1.188 102 A CA 2.657 54.738 52.037 0.074 0.000 0.631 102 A CB -0.576 18.451 19.000 0.044 0.000 0.822 102 A HN 0.533 nan 8.150 nan 0.000 0.447 103 M N -0.455 119.205 119.600 0.100 0.000 2.065 103 M HA -0.162 4.320 4.480 0.002 0.000 0.259 103 M C 2.303 178.694 176.300 0.150 0.000 1.069 103 M CA 1.975 57.352 55.300 0.128 0.000 1.110 103 M CB -0.290 32.390 32.600 0.134 0.000 1.328 103 M HN 0.420 nan 8.290 nan 0.000 0.405 104 A N 0.572 123.454 122.820 0.103 0.000 1.902 104 A HA -0.188 4.134 4.320 0.002 0.000 0.217 104 A C 2.056 179.678 177.584 0.062 0.000 1.181 104 A CA 1.820 53.895 52.037 0.064 0.000 0.623 104 A CB -0.699 18.327 19.000 0.044 0.000 0.818 104 A HN 0.618 nan 8.150 nan 0.000 0.443 105 R N -1.816 118.735 120.500 0.084 0.000 2.096 105 R HA -0.124 4.217 4.340 0.002 0.000 0.235 105 R C 2.012 178.372 176.300 0.100 0.000 1.127 105 R CA 1.586 57.733 56.100 0.080 0.000 0.968 105 R CB -0.535 29.819 30.300 0.090 0.000 0.861 105 R HN 0.641 nan 8.270 nan 0.000 0.440 106 F N 1.268 121.223 119.950 0.008 0.000 2.102 106 F HA -0.183 4.345 4.527 0.002 0.000 0.298 106 F C 1.934 177.749 175.800 0.026 0.000 1.105 106 F CA 1.269 59.267 58.000 -0.003 0.000 1.239 106 F CB -0.419 38.537 39.000 -0.073 0.000 0.991 106 F HN -0.290 nan 8.300 nan 0.000 0.474 107 V N 1.994 121.726 119.914 -0.302 0.000 2.343 107 V HA -0.303 3.818 4.120 0.002 0.000 0.247 107 V C 2.465 178.473 176.094 -0.142 0.000 1.051 107 V CA 2.260 64.367 62.300 -0.323 0.000 1.036 107 V CB -1.131 30.678 31.823 -0.024 0.000 0.654 107 V HN 0.596 nan 8.190 nan 0.000 0.451 108 E N 0.698 120.858 120.200 -0.066 0.000 2.106 108 E HA -0.246 4.105 4.350 0.002 0.000 0.192 108 E C 2.190 178.768 176.600 -0.038 0.000 0.984 108 E CA 1.755 58.139 56.400 -0.026 0.000 0.806 108 E CB -0.678 29.018 29.700 -0.007 0.000 0.750 108 E HN 0.584 nan 8.360 nan 0.000 0.458 109 T N -0.561 113.954 114.554 -0.064 0.000 2.777 109 T HA -0.197 4.154 4.350 0.002 0.000 0.266 109 T C 1.604 176.248 174.700 -0.093 0.000 1.040 109 T CA 1.054 63.115 62.100 -0.065 0.000 1.141 109 T CB -0.554 68.293 68.868 -0.035 0.000 0.868 109 T HN 0.300 nan 8.240 nan 0.000 0.444 110 F N 2.288 122.033 119.950 -0.341 0.000 2.065 110 F HA -0.037 4.492 4.527 0.002 0.000 0.298 110 F C 2.632 178.356 175.800 -0.127 0.000 1.112 110 F CA 1.648 59.465 58.000 -0.304 0.000 1.212 110 F CB -0.960 37.699 39.000 -0.569 0.000 0.975 110 F HN 0.298 nan 8.300 nan 0.000 0.476 111 A N 0.235 123.157 122.820 0.170 0.000 1.902 111 A HA -0.219 4.103 4.320 0.002 0.000 0.217 111 A C 2.421 180.016 177.584 0.018 0.000 1.181 111 A CA 1.760 53.873 52.037 0.127 0.000 0.623 111 A CB -0.860 18.197 19.000 0.095 0.000 0.818 111 A HN 0.468 nan 8.150 nan 0.000 0.443 112 R N -0.406 120.082 120.500 -0.020 0.000 2.066 112 R HA -0.085 4.256 4.340 0.002 0.000 0.232 112 R C 1.904 178.167 176.300 -0.063 0.000 1.131 112 R CA 2.013 58.091 56.100 -0.036 0.000 0.955 112 R CB -0.312 29.962 30.300 -0.043 0.000 0.851 112 R HN 0.351 nan 8.270 nan 0.000 0.432 113 V N 0.623 120.467 119.914 -0.117 0.000 2.535 113 V HA -0.083 4.038 4.120 0.002 0.000 0.246 113 V C 1.967 177.982 176.094 -0.132 0.000 1.045 113 V CA 1.177 63.395 62.300 -0.137 0.000 1.058 113 V CB -0.021 31.688 31.823 -0.189 0.000 0.689 113 V HN 0.298 nan 8.190 nan 0.000 0.461 114 L N -0.273 120.793 121.223 -0.263 0.000 2.731 114 L HA 0.414 4.755 4.340 0.002 0.000 0.240 114 L C 1.388 178.303 176.870 0.075 0.000 1.120 114 L CA 0.055 54.749 54.840 -0.243 0.000 0.913 114 L CB -0.123 41.528 42.059 -0.681 0.000 1.213 114 L HN 0.379 nan 8.230 nan 0.000 0.515 115 G N -0.045 108.774 108.800 0.031 0.000 2.594 115 G HA2 0.134 4.096 3.960 0.002 0.000 0.243 115 G HA3 0.134 4.096 3.960 0.002 0.000 0.243 115 G C -1.101 173.887 174.900 0.146 0.000 1.229 115 G CA -0.021 45.157 45.100 0.131 0.000 0.843 115 G HN 0.004 nan 8.290 nan 0.000 0.578 116 D N 1.127 121.607 120.400 0.133 0.000 2.502 116 D HA 0.292 4.934 4.640 0.002 0.000 0.249 116 D C -1.352 174.976 176.300 0.047 0.000 1.092 116 D CA -1.966 52.103 54.000 0.114 0.000 0.839 116 D CB 2.484 43.381 40.800 0.162 0.000 1.264 116 D HN 0.079 nan 8.370 nan 0.000 0.511 117 P HA -0.100 nan 4.420 nan 0.000 0.219 117 P C 0.913 178.200 177.300 -0.022 0.000 1.146 117 P CA 0.633 63.735 63.100 0.002 0.000 0.808 117 P CB 0.275 31.980 31.700 0.010 0.000 0.779 118 A N -0.614 122.197 122.820 -0.014 0.000 2.167 118 A HA 0.077 4.398 4.320 0.002 0.000 0.214 118 A C 1.507 179.041 177.584 -0.084 0.000 1.151 118 A CA 0.501 52.514 52.037 -0.041 0.000 0.735 118 A CB -0.691 18.293 19.000 -0.027 0.000 0.802 118 A HN 0.192 nan 8.150 nan 0.000 0.467 119 L N 0.464 121.635 121.223 -0.088 0.000 2.679 119 L HA 0.251 4.593 4.340 0.002 0.000 0.238 119 L C -1.822 174.947 176.870 -0.168 0.000 1.330 119 L CA -1.163 53.596 54.840 -0.135 0.000 0.935 119 L CB 1.287 43.275 42.059 -0.119 0.000 1.243 119 L HN 0.119 nan 8.230 nan 0.000 0.484 120 P HA -0.084 nan 4.420 nan 0.000 0.231 120 P C 0.187 177.276 177.300 -0.352 0.000 1.168 120 P CA 0.691 63.609 63.100 -0.302 0.000 0.779 120 P CB 0.181 31.666 31.700 -0.358 0.000 0.844 121 H N 0.705 119.646 119.070 -0.216 0.000 2.800 121 H HA 0.257 4.815 4.556 0.002 0.000 0.291 121 H C 0.096 175.235 175.328 -0.316 0.000 1.076 121 H CA -0.332 55.520 56.048 -0.327 0.000 1.452 121 H CB 0.502 29.816 29.762 -0.747 0.000 1.461 121 H HN 0.008 nan 8.280 nan 0.000 0.488 122 L N 4.377 125.566 121.223 -0.057 0.000 2.334 122 L HA 0.389 4.731 4.340 0.002 0.000 0.276 122 L C -0.468 176.338 176.870 -0.106 0.000 1.014 122 L CA -0.709 54.036 54.840 -0.157 0.000 0.815 122 L CB 1.133 43.100 42.059 -0.153 0.000 1.268 122 L HN 0.479 nan 8.230 nan 0.000 0.428 123 F N 3.092 122.750 119.950 -0.486 0.000 2.588 123 F HA 0.674 5.202 4.527 0.002 0.000 0.314 123 F C -1.527 173.918 175.800 -0.592 0.000 1.134 123 F CA -0.756 57.060 58.000 -0.307 0.000 0.961 123 F CB 1.381 40.409 39.000 0.047 0.000 1.239 123 F HN 0.221 nan 8.300 nan 0.000 0.448 124 F N 5.229 124.822 119.950 -0.594 0.000 2.538 124 F HA 0.865 5.393 4.527 0.002 0.000 0.325 124 F C -0.515 174.971 175.800 -0.523 0.000 1.066 124 F CA -1.203 56.591 58.000 -0.344 0.000 0.946 124 F CB 1.970 40.920 39.000 -0.083 0.000 1.199 124 F HN 0.421 nan 8.300 nan 0.000 0.473 125 V N 0.947 120.859 119.914 -0.004 0.000 3.225 125 V HA 0.318 4.439 4.120 0.002 0.000 0.293 125 V C -1.392 174.758 176.094 0.094 0.000 1.405 125 V CA -0.790 61.523 62.300 0.022 0.000 1.038 125 V CB 2.418 34.294 31.823 0.088 0.000 1.123 125 V HN 0.787 nan 8.190 nan 0.000 0.447 126 E N 2.714 122.980 120.200 0.110 0.000 2.223 126 E HA 0.565 4.916 4.350 0.002 0.000 0.282 126 E C 0.095 176.754 176.600 0.098 0.000 1.046 126 E CA 0.613 57.073 56.400 0.101 0.000 0.857 126 E CB 1.235 31.005 29.700 0.115 0.000 1.055 126 E HN 1.411 nan 8.360 nan 0.000 0.409 127 G N 1.617 110.473 108.800 0.092 0.000 2.906 127 G HA2 -0.099 3.862 3.960 0.002 0.000 0.686 127 G HA3 -0.099 3.862 3.960 0.002 0.000 0.686 127 G C 0.532 175.487 174.900 0.092 0.000 1.170 127 G CA -0.597 44.558 45.100 0.091 0.000 0.775 127 G HN 0.623 nan 8.290 nan 0.000 0.630 128 G N 0.616 109.481 108.800 0.109 0.000 2.408 128 G HA2 0.305 4.266 3.960 0.002 0.000 0.217 128 G HA3 0.305 4.266 3.960 0.002 0.000 0.217 128 G C 2.069 177.026 174.900 0.095 0.000 1.150 128 G CA 2.379 47.548 45.100 0.115 0.000 0.776 128 G HN 1.985 nan 8.290 nan 0.000 0.542 129 A N 0.379 123.253 122.820 0.091 0.000 1.902 129 A HA 0.078 4.399 4.320 0.002 0.000 0.217 129 A C 2.294 179.915 177.584 0.062 0.000 1.181 129 A CA 1.289 53.365 52.037 0.065 0.000 0.623 129 A CB -0.363 18.663 19.000 0.044 0.000 0.818 129 A HN 0.299 nan 8.150 nan 0.000 0.443 130 L N -0.590 120.673 121.223 0.067 0.000 2.156 130 L HA -0.015 4.326 4.340 0.002 0.000 0.208 130 L C 2.870 179.784 176.870 0.074 0.000 1.095 130 L CA 1.506 56.393 54.840 0.078 0.000 0.770 130 L CB -0.982 41.132 42.059 0.091 0.000 0.914 130 L HN 0.401 nan 8.230 nan 0.000 0.439 131 A N -1.016 121.828 122.820 0.041 0.000 1.877 131 A HA -0.167 4.154 4.320 0.002 0.000 0.216 131 A C 2.353 179.913 177.584 -0.040 0.000 1.186 131 A CA 2.026 54.046 52.037 -0.027 0.000 0.620 131 A CB -0.924 18.003 19.000 -0.122 0.000 0.822 131 A HN 0.196 nan 8.150 nan 0.000 0.443 132 V N 0.267 120.171 119.914 -0.016 0.000 2.343 132 V HA -0.271 3.850 4.120 0.002 0.000 0.247 132 V C 2.416 178.479 176.094 -0.052 0.000 1.051 132 V CA 2.232 64.504 62.300 -0.047 0.000 1.036 132 V CB -0.909 30.905 31.823 -0.014 0.000 0.654 132 V HN 0.610 nan 8.190 nan 0.000 0.451 133 E N 0.137 120.355 120.200 0.030 0.000 2.118 133 E HA -0.212 4.139 4.350 0.002 0.000 0.195 133 E C 2.067 178.684 176.600 0.029 0.000 0.992 133 E CA 1.206 57.669 56.400 0.104 0.000 0.804 133 E CB -0.244 29.567 29.700 0.185 0.000 0.741 133 E HN 0.615 nan 8.360 nan 0.000 0.458 134 N N 0.489 119.181 118.700 -0.012 0.000 2.270 134 N HA -0.083 4.658 4.740 0.002 0.000 0.181 134 N C 1.794 177.203 175.510 -0.168 0.000 1.016 134 N CA 0.878 53.865 53.050 -0.105 0.000 0.870 134 N CB 0.001 38.431 38.487 -0.094 0.000 0.979 134 N HN 0.083 nan 8.380 nan 0.000 0.431 135 A N 1.674 124.407 122.820 -0.146 0.000 1.902 135 A HA -0.082 4.240 4.320 0.002 0.000 0.217 135 A C 2.357 179.742 177.584 -0.331 0.000 1.181 135 A CA 0.921 52.841 52.037 -0.195 0.000 0.623 135 A CB -0.674 18.203 19.000 -0.205 0.000 0.818 135 A HN 0.173 nan 8.150 nan 0.000 0.443 136 L N -0.909 120.077 121.223 -0.396 0.000 2.027 136 L HA -0.200 4.141 4.340 0.002 0.000 0.206 136 L C 2.592 178.928 176.870 -0.889 0.000 1.074 136 L CA 1.788 56.168 54.840 -0.766 0.000 0.745 136 L CB -0.545 41.085 42.059 -0.714 0.000 0.898 136 L HN 0.348 nan 8.230 nan 0.000 0.433 137 K N 0.290 120.476 120.400 -0.357 0.000 2.063 137 K HA -0.168 4.154 4.320 0.002 0.000 0.208 137 K C 2.268 178.751 176.600 -0.195 0.000 1.048 137 K CA 1.417 57.639 56.287 -0.108 0.000 0.928 137 K CB -0.325 32.169 32.500 -0.010 0.000 0.713 137 K HN 0.286 nan 8.250 nan 0.000 0.442 138 A N 1.504 124.156 122.820 -0.280 0.000 1.908 138 A HA -0.197 4.124 4.320 0.002 0.000 0.218 138 A C 2.364 179.863 177.584 -0.141 0.000 1.181 138 A CA 2.096 53.987 52.037 -0.243 0.000 0.627 138 A CB -0.752 18.154 19.000 -0.157 0.000 0.818 138 A HN 0.367 nan 8.150 nan 0.000 0.445 139 A N -1.228 121.421 122.820 -0.285 0.000 1.897 139 A HA 0.123 4.444 4.320 0.002 0.000 0.215 139 A C 1.898 179.427 177.584 -0.091 0.000 1.181 139 A CA 1.426 53.307 52.037 -0.261 0.000 0.620 139 A CB -0.669 18.035 19.000 -0.494 0.000 0.821 139 A HN 0.424 nan 8.150 nan 0.000 0.443 140 F N 0.375 120.260 119.950 -0.107 0.000 2.102 140 F HA -0.116 4.412 4.527 0.002 0.000 0.298 140 F C 2.050 177.834 175.800 -0.027 0.000 1.105 140 F CA 1.267 59.204 58.000 -0.104 0.000 1.239 140 F CB -1.066 37.829 39.000 -0.175 0.000 0.991 140 F HN 0.420 nan 8.300 nan 0.000 0.474 141 D N -1.188 119.310 120.400 0.163 0.000 2.097 141 D HA -0.283 4.358 4.640 0.002 0.000 0.195 141 D C 2.180 178.549 176.300 0.116 0.000 0.989 141 D CA 1.503 55.556 54.000 0.088 0.000 0.827 141 D CB -0.417 40.389 40.800 0.010 0.000 0.966 141 D HN 0.302 nan 8.370 nan 0.000 0.456 142 W N 1.012 122.291 121.300 -0.035 0.000 2.355 142 W HA -0.179 4.482 4.660 0.002 0.000 0.309 142 W C 2.281 178.821 176.519 0.036 0.000 1.206 142 W CA 1.667 59.006 57.345 -0.011 0.000 1.284 142 W CB -0.250 29.183 29.460 -0.045 0.000 1.145 142 W HN -0.147 nan 8.180 nan 0.000 0.502 143 K N 0.401 121.007 120.400 0.343 0.000 2.026 143 K HA -0.193 4.128 4.320 0.002 0.000 0.208 143 K C 2.384 179.014 176.600 0.051 0.000 1.048 143 K CA 2.121 58.527 56.287 0.198 0.000 0.929 143 K CB -1.030 31.630 32.500 0.266 0.000 0.713 143 K HN 0.117 nan 8.250 nan 0.000 0.439 144 S N 0.025 115.760 115.700 0.059 0.000 2.356 144 S HA -0.144 4.327 4.470 0.002 0.000 0.223 144 S C 1.952 176.531 174.600 -0.036 0.000 1.032 144 S CA 1.346 59.557 58.200 0.018 0.000 1.005 144 S CB -0.199 63.015 63.200 0.024 0.000 0.867 144 S HN 0.401 nan 8.310 nan 0.000 0.449 145 R N -0.397 120.060 120.500 -0.073 0.000 2.092 145 R HA -0.038 4.303 4.340 0.002 0.000 0.231 145 R C 2.563 178.757 176.300 -0.177 0.000 1.119 145 R CA 1.364 57.391 56.100 -0.122 0.000 0.970 145 R CB -0.697 29.529 30.300 -0.124 0.000 0.864 145 R HN 0.591 nan 8.270 nan 0.000 0.440 146 H N 1.331 120.165 119.070 -0.393 0.000 2.293 146 H HA -0.065 4.493 4.556 0.002 0.000 0.300 146 H C 1.454 176.720 175.328 -0.104 0.000 1.082 146 H CA 1.559 57.368 56.048 -0.399 0.000 1.308 146 H CB 0.150 29.363 29.762 -0.916 0.000 1.375 146 H HN 0.104 nan 8.280 nan 0.000 0.495 147 N N 1.034 119.729 118.700 -0.010 0.000 2.021 147 N HA -0.213 4.528 4.740 0.002 0.000 0.198 147 N C 2.125 177.592 175.510 -0.071 0.000 1.041 147 N CA 1.438 54.470 53.050 -0.030 0.000 0.862 147 N CB -0.772 37.709 38.487 -0.009 0.000 1.048 147 N HN 0.535 nan 8.380 nan 0.000 0.427 148 Q N 0.033 119.784 119.800 -0.081 0.000 2.112 148 Q HA -0.076 4.265 4.340 0.002 0.000 0.206 148 Q C 1.695 177.611 176.000 -0.139 0.000 0.987 148 Q CA 1.797 57.542 55.803 -0.095 0.000 0.858 148 Q CB -0.145 28.541 28.738 -0.087 0.000 0.905 148 Q HN 0.436 nan 8.270 nan 0.000 0.420 149 A N -0.455 122.246 122.820 -0.198 0.000 2.121 149 A HA -0.126 4.196 4.320 0.002 0.000 0.218 149 A C 0.862 178.140 177.584 -0.509 0.000 1.154 149 A CA 0.922 52.757 52.037 -0.336 0.000 0.679 149 A CB -0.266 18.489 19.000 -0.408 0.000 0.795 149 A HN 0.480 nan 8.150 nan 0.000 0.458 150 H N -1.579 117.332 119.070 -0.265 0.000 2.469 150 H HA 0.301 4.858 4.556 0.002 0.000 0.286 150 H C 1.418 176.643 175.328 -0.173 0.000 1.106 150 H CA 0.275 56.185 56.048 -0.229 0.000 1.055 150 H CB 0.086 29.678 29.762 -0.284 0.000 1.618 150 H HN 0.572 nan 8.280 nan 0.000 0.559 151 G N 1.722 110.470 108.800 -0.087 0.000 2.155 151 G HA2 -0.300 3.661 3.960 0.002 0.000 0.257 151 G HA3 -0.300 3.661 3.960 0.002 0.000 0.257 151 G C 0.256 175.108 174.900 -0.080 0.000 0.983 151 G CA 0.256 45.311 45.100 -0.076 0.000 0.676 151 G HN 0.364 nan 8.290 nan 0.000 0.528 152 I N 0.734 121.241 120.570 -0.106 0.000 2.440 152 I HA 0.264 4.436 4.170 0.002 0.000 0.294 152 I C 0.585 176.657 176.117 -0.075 0.000 0.995 152 I CA -0.863 60.355 61.300 -0.136 0.000 1.306 152 I CB 0.980 38.814 38.000 -0.278 0.000 1.407 152 I HN 0.040 nan 8.210 nan 0.000 0.501 153 D N 8.239 128.612 120.400 -0.044 0.000 2.502 153 D HA -0.025 4.617 4.640 0.002 0.000 0.249 153 D C -1.462 174.831 176.300 -0.012 0.000 1.188 153 D CA -1.456 52.533 54.000 -0.018 0.000 0.890 153 D CB 0.901 41.704 40.800 0.005 0.000 1.140 153 D HN 0.243 nan 8.370 nan 0.000 0.505 154 P HA -0.051 nan 4.420 nan 0.000 0.234 154 P C 0.688 177.987 177.300 -0.002 0.000 1.167 154 P CA 0.425 63.517 63.100 -0.014 0.000 0.763 154 P CB 0.146 31.831 31.700 -0.026 0.000 0.835 155 A N -0.430 122.392 122.820 0.003 0.000 2.168 155 A HA 0.050 4.371 4.320 0.002 0.000 0.215 155 A C 1.267 178.862 177.584 0.018 0.000 1.152 155 A CA 0.366 52.407 52.037 0.007 0.000 0.716 155 A CB -0.813 18.193 19.000 0.010 0.000 0.794 155 A HN 0.184 nan 8.150 nan 0.000 0.465 156 L N -0.851 120.392 121.223 0.034 0.000 2.334 156 L HA 0.565 4.906 4.340 0.002 0.000 0.277 156 L C 0.950 177.860 176.870 0.066 0.000 1.075 156 L CA 0.421 55.297 54.840 0.060 0.000 0.804 156 L CB 1.229 43.349 42.059 0.101 0.000 1.174 156 L HN 0.360 nan 8.230 nan 0.000 0.438 157 G N 0.472 109.314 108.800 0.071 0.000 2.565 157 G HA2 -0.140 3.821 3.960 0.002 0.000 0.156 157 G HA3 -0.140 3.821 3.960 0.002 0.000 0.156 157 G C 0.148 175.090 174.900 0.070 0.000 1.074 157 G CA -0.049 45.109 45.100 0.097 0.000 0.804 157 G HN 0.748 nan 8.290 nan 0.000 0.496 158 T N -3.299 111.241 114.554 -0.023 0.000 3.058 158 T HA 0.454 4.806 4.350 0.002 0.000 0.278 158 T C 0.500 175.029 174.700 -0.285 0.000 0.974 158 T CA 0.179 62.135 62.100 -0.240 0.000 0.893 158 T CB 0.505 69.248 68.868 -0.208 0.000 1.138 158 T HN 0.482 nan 8.240 nan 0.000 0.529 159 Q N 0.678 120.347 119.800 -0.219 0.000 2.297 159 Q HA 0.730 5.071 4.340 0.002 0.000 0.268 159 Q C -1.435 174.178 176.000 -0.645 0.000 1.045 159 Q CA -1.127 54.336 55.803 -0.567 0.000 0.861 159 Q CB 3.017 31.653 28.738 -0.171 0.000 1.344 159 Q HN 0.127 nan 8.270 nan 0.000 0.452 160 V N 2.353 121.686 119.914 -0.968 0.000 2.443 160 V HA 0.223 4.345 4.120 0.002 0.000 0.293 160 V C -0.787 175.213 176.094 -0.156 0.000 1.021 160 V CA -0.746 61.188 62.300 -0.611 0.000 0.848 160 V CB 1.478 32.776 31.823 -0.875 0.000 0.998 160 V HN 0.579 nan 8.190 nan 0.000 0.424 161 L N 6.570 127.742 121.223 -0.086 0.000 2.367 161 L HA 0.615 4.956 4.340 0.002 0.000 0.275 161 L C -0.052 176.991 176.870 0.289 0.000 1.129 161 L CA 0.828 55.710 54.840 0.070 0.000 0.839 161 L CB 0.081 42.098 42.059 -0.069 0.000 1.133 161 L HN 0.945 nan 8.230 nan 0.000 0.453 162 H N 2.309 121.488 119.070 0.181 0.000 2.933 162 H HA 0.659 5.217 4.556 0.003 0.000 0.310 162 H C -1.514 173.985 175.328 0.286 0.000 1.351 162 H CA -1.321 54.831 56.048 0.173 0.000 1.137 162 H CB 0.619 30.452 29.762 0.118 0.000 1.853 162 H HN 0.469 nan 8.280 nan 0.000 0.539 163 L N 1.308 122.712 121.223 0.301 0.000 2.344 163 L HA 0.510 4.851 4.340 0.002 0.000 0.272 163 L C 0.437 177.444 176.870 0.228 0.000 1.035 163 L CA -1.133 53.864 54.840 0.262 0.000 0.807 163 L CB 1.455 43.727 42.059 0.354 0.000 1.237 163 L HN 0.517 nan 8.230 nan 0.000 0.442 164 R N 1.044 121.652 120.500 0.179 0.000 2.623 164 R HA 0.186 4.527 4.340 0.002 0.000 0.271 164 R C 0.957 177.398 176.300 0.236 0.000 1.043 164 R CA 0.780 56.993 56.100 0.188 0.000 1.083 164 R CB 0.154 30.547 30.300 0.155 0.000 0.974 164 R HN 0.992 nan 8.270 nan 0.000 0.436 165 G N 0.587 109.511 108.800 0.207 0.000 2.159 165 G HA2 -0.320 3.641 3.960 0.002 0.000 0.256 165 G HA3 -0.320 3.641 3.960 0.002 0.000 0.256 165 G C 0.235 175.248 174.900 0.188 0.000 0.977 165 G CA 0.128 45.339 45.100 0.184 0.000 0.652 165 G HN 0.881 nan 8.290 nan 0.000 0.531 166 A N -0.387 122.557 122.820 0.207 0.000 2.407 166 A HA 0.688 5.009 4.320 0.002 0.000 0.248 166 A C -0.417 177.194 177.584 0.044 0.000 1.082 166 A CA 0.243 52.342 52.037 0.104 0.000 0.785 166 A CB 0.551 19.660 19.000 0.183 0.000 1.020 166 A HN 1.406 nan 8.150 nan 0.000 0.489 167 F N 2.120 121.901 119.950 -0.282 0.000 2.499 167 F HA 0.506 5.034 4.527 0.002 0.000 0.333 167 F C 0.274 175.856 175.800 -0.363 0.000 1.138 167 F CA -0.454 57.427 58.000 -0.199 0.000 0.945 167 F CB 1.362 40.322 39.000 -0.067 0.000 1.181 167 F HN 0.690 nan 8.300 nan 0.000 0.435 168 H N 3.872 122.698 119.070 -0.407 0.000 3.233 168 H HA 0.467 5.025 4.556 0.002 0.000 0.263 168 H C 0.804 175.931 175.328 -0.334 0.000 1.168 168 H CA 0.404 56.324 56.048 -0.214 0.000 1.159 168 H CB 0.854 30.558 29.762 -0.098 0.000 1.593 168 H HN 0.827 nan 8.280 nan 0.000 0.580 169 G N 0.844 109.187 108.800 -0.761 0.000 2.343 169 G HA2 -0.104 3.857 3.960 0.002 0.000 0.562 169 G HA3 -0.104 3.857 3.960 0.002 0.000 0.562 169 G C -0.372 174.329 174.900 -0.331 0.000 1.269 169 G CA -0.930 43.906 45.100 -0.439 0.000 1.011 169 G HN 0.192 nan 8.290 nan 0.000 0.498 170 R N -0.045 120.389 120.500 -0.111 0.000 2.629 170 R HA 0.400 4.741 4.340 0.002 0.000 0.386 170 R C 1.088 177.336 176.300 -0.085 0.000 1.071 170 R CA 0.446 56.503 56.100 -0.072 0.000 1.104 170 R CB 0.786 31.086 30.300 0.000 0.000 1.370 170 R HN 0.762 nan 8.270 nan 0.000 0.574 171 S N -1.762 113.906 115.700 -0.054 0.000 2.713 171 S HA 0.360 4.832 4.470 0.002 0.000 0.277 171 S C 1.496 176.071 174.600 -0.042 0.000 1.168 171 S CA -0.290 57.879 58.200 -0.052 0.000 0.994 171 S CB 1.521 64.713 63.200 -0.013 0.000 1.054 171 S HN 0.144 nan 8.310 nan 0.000 0.555 172 G N -0.016 108.738 108.800 -0.076 0.000 2.476 172 G HA2 -0.184 3.777 3.960 0.002 0.000 0.218 172 G HA3 -0.184 3.777 3.960 0.002 0.000 0.218 172 G C 0.988 175.941 174.900 0.087 0.000 1.164 172 G CA 0.971 46.026 45.100 -0.075 0.000 0.768 172 G HN 0.721 nan 8.290 nan 0.000 0.560 173 Y N 1.438 121.833 120.300 0.159 0.000 2.286 173 Y HA -0.014 4.537 4.550 0.002 0.000 0.293 173 Y C 3.285 179.311 175.900 0.210 0.000 1.124 173 Y CA 1.196 59.455 58.100 0.266 0.000 1.178 173 Y CB -0.915 37.743 38.460 0.330 0.000 1.010 173 Y HN 0.329 nan 8.280 nan 0.000 0.536 174 T N -2.793 111.913 114.554 0.253 0.000 3.055 174 T HA -0.049 4.302 4.350 0.002 0.000 0.265 174 T C 1.782 176.522 174.700 0.066 0.000 1.111 174 T CA 0.455 62.637 62.100 0.136 0.000 1.118 174 T CB -0.422 68.477 68.868 0.052 0.000 0.909 174 T HN 0.006 nan 8.240 nan 0.000 0.501 175 L N 1.848 123.105 121.223 0.058 0.000 2.265 175 L HA 0.145 4.486 4.340 0.002 0.000 0.215 175 L C 2.464 179.376 176.870 0.069 0.000 1.117 175 L CA 0.991 55.860 54.840 0.048 0.000 0.782 175 L CB -1.360 40.723 42.059 0.040 0.000 0.914 175 L HN 0.318 nan 8.230 nan 0.000 0.441 176 S N -1.178 114.570 115.700 0.081 0.000 2.562 176 S HA 0.135 4.606 4.470 0.002 0.000 0.221 176 S C 1.760 176.388 174.600 0.047 0.000 0.975 176 S CA 0.302 58.523 58.200 0.037 0.000 0.918 176 S CB 0.309 63.421 63.200 -0.146 0.000 0.772 176 S HN 0.340 nan 8.310 nan 0.000 0.531 177 L N -0.249 120.990 121.223 0.026 0.000 2.515 177 L HA 0.168 4.510 4.340 0.002 0.000 0.202 177 L C 0.596 177.532 176.870 0.110 0.000 1.056 177 L CA 0.292 55.049 54.840 -0.138 0.000 0.847 177 L CB -0.652 41.392 42.059 -0.026 0.000 1.131 177 L HN 0.009 nan 8.230 nan 0.000 0.484 178 T N 3.707 118.305 114.554 0.074 0.000 2.867 178 T HA 0.067 4.419 4.350 0.002 0.000 0.297 178 T C 0.129 174.905 174.700 0.126 0.000 0.989 178 T CA 0.176 62.293 62.100 0.028 0.000 1.159 178 T CB -0.234 68.534 68.868 -0.166 0.000 0.928 178 T HN 0.370 nan 8.240 nan 0.000 0.538 179 N N 1.952 120.755 118.700 0.171 0.000 2.722 179 N HA 0.109 4.850 4.740 0.002 0.000 0.242 179 N C 0.138 175.750 175.510 0.169 0.000 1.398 179 N CA -0.585 52.570 53.050 0.175 0.000 0.755 179 N CB 1.028 39.633 38.487 0.197 0.000 1.268 179 N HN 0.595 nan 8.380 nan 0.000 0.522 180 T N -1.270 113.389 114.554 0.175 0.000 3.479 180 T HA 0.303 4.654 4.350 0.002 0.000 0.197 180 T C 0.106 174.875 174.700 0.114 0.000 0.912 180 T CA 0.373 62.563 62.100 0.150 0.000 1.281 180 T CB 0.130 69.105 68.868 0.179 0.000 1.588 180 T HN -0.003 nan 8.240 nan 0.000 0.389 181 K N 2.634 123.104 120.400 0.117 0.000 2.201 181 K HA 0.462 4.784 4.320 0.002 0.000 0.278 181 K C -2.131 174.523 176.600 0.089 0.000 1.027 181 K CA -3.136 53.202 56.287 0.085 0.000 0.909 181 K CB 0.933 33.474 32.500 0.068 0.000 1.062 181 K HN 0.111 nan 8.250 nan 0.000 0.465 182 P HA -0.132 nan 4.420 nan 0.000 0.217 182 P C 0.778 178.101 177.300 0.040 0.000 1.148 182 P CA 1.282 64.409 63.100 0.046 0.000 0.828 182 P CB 0.250 31.964 31.700 0.022 0.000 0.783 183 T N -0.395 114.186 114.554 0.045 0.000 2.721 183 T HA -0.178 4.173 4.350 0.002 0.000 0.268 183 T C 1.658 176.425 174.700 0.112 0.000 1.038 183 T CA 1.200 63.331 62.100 0.051 0.000 1.145 183 T CB -0.868 68.032 68.868 0.054 0.000 0.858 183 T HN 0.153 nan 8.240 nan 0.000 0.459 184 I N 1.244 121.905 120.570 0.151 0.000 2.439 184 I HA -0.105 4.066 4.170 0.002 0.000 0.251 184 I C 2.511 178.813 176.117 0.310 0.000 1.139 184 I CA 1.420 62.856 61.300 0.227 0.000 1.438 184 I CB -0.336 37.805 38.000 0.235 0.000 1.085 184 I HN 0.382 nan 8.210 nan 0.000 0.427 185 T N -2.252 112.432 114.554 0.216 0.000 2.975 185 T HA 0.443 4.794 4.350 0.002 0.000 0.257 185 T C 0.782 175.503 174.700 0.036 0.000 1.003 185 T CA -0.103 62.146 62.100 0.247 0.000 0.932 185 T CB -0.003 68.957 68.868 0.154 0.000 1.087 185 T HN 0.137 nan 8.240 nan 0.000 0.512 186 A N 2.147 124.880 122.820 -0.146 0.000 2.477 186 A HA 0.540 4.861 4.320 0.002 0.000 0.246 186 A C 0.989 178.205 177.584 -0.614 0.000 1.078 186 A CA -0.180 51.694 52.037 -0.271 0.000 0.770 186 A CB -0.326 18.561 19.000 -0.188 0.000 1.011 186 A HN 0.551 nan 8.150 nan 0.000 0.494 187 R N -1.091 119.168 120.500 -0.401 0.000 3.989 187 R HA -0.174 4.167 4.340 0.002 0.000 0.377 187 R C -1.257 174.819 176.300 -0.373 0.000 1.158 187 R CA 1.251 57.113 56.100 -0.397 0.000 1.035 187 R CB -2.335 27.720 30.300 -0.409 0.000 1.557 187 R HN 0.495 nan 8.270 nan 0.000 0.551 188 F N 2.212 122.139 119.950 -0.038 0.000 2.427 188 F HA 0.404 4.932 4.527 0.002 0.000 0.346 188 F C -1.465 174.283 175.800 -0.086 0.000 1.120 188 F CA -3.276 54.691 58.000 -0.055 0.000 1.033 188 F CB 0.388 39.365 39.000 -0.040 0.000 1.126 188 F HN -0.233 nan 8.300 nan 0.000 0.462 189 P HA 0.166 nan 4.420 nan 0.000 0.266 189 P C -0.926 176.281 177.300 -0.155 0.000 1.195 189 P CA -0.144 62.908 63.100 -0.081 0.000 0.768 189 P CB 0.935 32.556 31.700 -0.132 0.000 0.838 190 K N 1.466 121.725 120.400 -0.236 0.000 2.477 190 K HA 0.491 4.813 4.320 0.002 0.000 0.255 190 K C -0.520 175.794 176.600 -0.476 0.000 0.952 190 K CA -0.695 55.425 56.287 -0.280 0.000 0.826 190 K CB 1.428 33.856 32.500 -0.119 0.000 1.331 190 K HN 0.214 nan 8.250 nan 0.000 0.437 191 F N 0.835 120.472 119.950 -0.522 0.000 2.382 191 F HA 0.078 4.606 4.527 0.002 0.000 0.331 191 F C 0.892 176.365 175.800 -0.545 0.000 1.121 191 F CA -0.242 57.326 58.000 -0.719 0.000 1.183 191 F CB 0.588 38.632 39.000 -1.594 0.000 1.207 191 F HN 0.460 nan 8.300 nan 0.000 0.555 192 D N 2.619 122.944 120.400 -0.124 0.000 2.483 192 D HA 0.094 4.735 4.640 0.002 0.000 0.220 192 D C -1.266 175.160 176.300 0.209 0.000 1.173 192 D CA -0.099 53.919 54.000 0.030 0.000 0.964 192 D CB -0.048 40.784 40.800 0.052 0.000 1.046 192 D HN 0.148 nan 8.370 nan 0.000 0.517 193 W N 4.148 125.558 121.300 0.184 0.000 2.570 193 W HA 0.398 5.059 4.660 0.002 0.000 0.337 193 W C -2.076 174.556 176.519 0.187 0.000 1.067 193 W CA -3.013 54.436 57.345 0.174 0.000 1.229 193 W CB 0.786 30.355 29.460 0.180 0.000 1.355 193 W HN 0.251 nan 8.180 nan 0.000 0.555 194 P HA 0.239 nan 4.420 nan 0.000 0.280 194 P C -0.615 176.654 177.300 -0.053 0.000 1.244 194 P CA -0.246 62.909 63.100 0.091 0.000 0.784 194 P CB 1.361 33.042 31.700 -0.031 0.000 0.913 195 R N 3.784 124.197 120.500 -0.145 0.000 2.561 195 R HA 0.625 4.966 4.340 0.002 0.000 0.297 195 R C -0.245 175.973 176.300 -0.138 0.000 0.969 195 R CA -0.861 55.022 56.100 -0.363 0.000 0.879 195 R CB 0.941 31.079 30.300 -0.269 0.000 1.178 195 R HN 0.579 nan 8.270 nan 0.000 0.445 196 I N -0.329 120.188 120.570 -0.088 0.000 2.797 196 I HA 0.525 4.696 4.170 0.002 0.000 0.307 196 I C -0.699 175.440 176.117 0.037 0.000 1.033 196 I CA -1.188 60.107 61.300 -0.009 0.000 1.071 196 I CB 1.940 39.945 38.000 0.008 0.000 1.255 196 I HN 0.419 nan 8.210 nan 0.000 0.445 197 D N 3.040 123.457 120.400 0.028 0.000 2.423 197 D HA 0.294 4.936 4.640 0.002 0.000 0.238 197 D C -0.052 176.275 176.300 0.046 0.000 1.142 197 D CA 0.334 54.356 54.000 0.037 0.000 0.884 197 D CB 1.358 42.156 40.800 -0.004 0.000 1.199 197 D HN 0.746 nan 8.370 nan 0.000 0.438 198 A N 3.203 126.097 122.820 0.123 0.000 2.260 198 A HA 0.405 4.726 4.320 0.002 0.000 0.312 198 A C -2.054 175.599 177.584 0.115 0.000 1.321 198 A CA -1.267 50.913 52.037 0.237 0.000 0.928 198 A CB 0.589 19.920 19.000 0.552 0.000 1.158 198 A HN 0.281 nan 8.150 nan 0.000 0.542 199 P HA 0.171 nan 4.420 nan 0.000 0.214 199 P C -0.810 176.432 177.300 -0.096 0.000 1.826 199 P CA -0.137 62.809 63.100 -0.258 0.000 0.977 199 P CB -0.958 30.463 31.700 -0.464 0.000 1.930 200 Y N -1.056 119.232 120.300 -0.019 0.000 2.379 200 Y HA 0.380 4.932 4.550 0.003 0.000 0.337 200 Y C 0.858 176.682 175.900 -0.126 0.000 1.238 200 Y CA -1.598 56.337 58.100 -0.276 0.000 1.405 200 Y CB -0.001 38.154 38.460 -0.508 0.000 1.310 200 Y HN -0.103 nan 8.280 nan 0.000 0.569 201 M N 5.181 124.825 119.600 0.074 0.000 2.260 201 M HA 0.152 4.633 4.480 0.002 0.000 0.348 201 M C -0.013 176.376 176.300 0.147 0.000 1.342 201 M CA 0.834 56.176 55.300 0.071 0.000 1.040 201 M CB 0.269 32.911 32.600 0.070 0.000 1.810 201 M HN 0.835 nan 8.290 nan 0.000 0.453 202 R N 3.873 124.412 120.500 0.064 0.000 2.795 202 R HA 0.720 5.061 4.340 0.002 0.000 0.275 202 R C -3.032 173.295 176.300 0.045 0.000 0.981 202 R CA -2.011 54.143 56.100 0.089 0.000 0.917 202 R CB 0.545 30.889 30.300 0.074 0.000 1.202 202 R HN 0.310 nan 8.270 nan 0.000 0.469 203 P HA 0.054 nan 4.420 nan 0.000 0.268 203 P C 0.332 177.645 177.300 0.022 0.000 1.205 203 P CA 0.754 63.874 63.100 0.032 0.000 0.771 203 P CB 0.486 32.209 31.700 0.038 0.000 0.858 204 G N 1.188 109.997 108.800 0.014 0.000 2.272 204 G HA2 -0.176 3.786 3.960 0.002 0.000 0.280 204 G HA3 -0.176 3.786 3.960 0.002 0.000 0.280 204 G C -0.624 174.278 174.900 0.004 0.000 1.067 204 G CA -0.351 44.755 45.100 0.009 0.000 0.902 204 G HN 0.471 nan 8.290 nan 0.000 0.500 205 L N 1.549 122.774 121.223 0.002 0.000 2.406 205 L HA 0.474 4.815 4.340 0.002 0.000 0.272 205 L C 0.120 176.991 176.870 0.001 0.000 0.980 205 L CA -1.012 53.826 54.840 -0.004 0.000 0.831 205 L CB 1.685 43.735 42.059 -0.016 0.000 1.253 205 L HN 0.362 nan 8.230 nan 0.000 0.406 206 D N 1.516 121.917 120.400 0.002 0.000 2.383 206 D HA 0.055 4.696 4.640 0.002 0.000 0.248 206 D C 0.823 177.128 176.300 0.008 0.000 1.170 206 D CA -0.478 53.526 54.000 0.006 0.000 0.977 206 D CB 0.954 41.757 40.800 0.005 0.000 1.120 206 D HN 0.466 nan 8.370 nan 0.000 0.481 207 E N 0.007 120.215 120.200 0.013 0.000 2.095 207 E HA -0.205 4.146 4.350 0.002 0.000 0.212 207 E C -0.843 175.767 176.600 0.016 0.000 1.044 207 E CA 2.521 58.932 56.400 0.019 0.000 0.857 207 E CB -0.913 28.799 29.700 0.021 0.000 0.764 207 E HN 0.494 nan 8.360 nan 0.000 0.462 208 P HA -0.093 nan 4.420 nan 0.000 0.219 208 P C 0.893 178.195 177.300 0.003 0.000 1.150 208 P CA 1.779 64.884 63.100 0.009 0.000 0.814 208 P CB 0.021 31.726 31.700 0.007 0.000 0.787 209 A N -0.078 122.741 122.820 -0.002 0.000 1.902 209 A HA -0.153 4.169 4.320 0.002 0.000 0.217 209 A C 2.278 179.850 177.584 -0.019 0.000 1.181 209 A CA 1.809 53.839 52.037 -0.011 0.000 0.623 209 A CB -1.309 17.683 19.000 -0.012 0.000 0.818 209 A HN 0.007 nan 8.150 nan 0.000 0.443 210 M N -0.270 119.323 119.600 -0.012 0.000 2.117 210 M HA -0.072 4.410 4.480 0.002 0.000 0.262 210 M C 2.481 178.777 176.300 -0.007 0.000 1.065 210 M CA 1.481 56.772 55.300 -0.015 0.000 1.114 210 M CB -1.558 31.047 32.600 0.007 0.000 1.361 210 M HN 0.476 nan 8.290 nan 0.000 0.408 211 A N -0.275 122.551 122.820 0.010 0.000 1.933 211 A HA -0.005 4.316 4.320 0.002 0.000 0.218 211 A C 2.369 179.959 177.584 0.010 0.000 1.175 211 A CA 2.062 54.111 52.037 0.021 0.000 0.628 211 A CB -0.864 18.151 19.000 0.025 0.000 0.814 211 A HN 0.488 nan 8.150 nan 0.000 0.444 212 A N -0.895 121.923 122.820 -0.003 0.000 1.929 212 A HA 0.075 4.396 4.320 0.002 0.000 0.216 212 A C 2.050 179.620 177.584 -0.024 0.000 1.176 212 A CA 1.519 53.551 52.037 -0.009 0.000 0.628 212 A CB -0.489 18.504 19.000 -0.011 0.000 0.816 212 A HN 0.438 nan 8.150 nan 0.000 0.444 213 L N 0.225 121.422 121.223 -0.044 0.000 2.017 213 L HA -0.156 4.185 4.340 0.002 0.000 0.208 213 L C 2.307 179.124 176.870 -0.088 0.000 1.073 213 L CA 2.268 57.060 54.840 -0.079 0.000 0.745 213 L CB -0.787 41.203 42.059 -0.115 0.000 0.894 213 L HN 0.517 nan 8.230 nan 0.000 0.432 214 E N -0.963 119.195 120.200 -0.070 0.000 2.085 214 E HA -0.244 4.107 4.350 0.002 0.000 0.194 214 E C 2.177 178.800 176.600 0.039 0.000 0.994 214 E CA 1.192 57.570 56.400 -0.037 0.000 0.801 214 E CB -0.316 29.419 29.700 0.058 0.000 0.743 214 E HN 0.584 nan 8.360 nan 0.000 0.453 215 A N 1.310 124.149 122.820 0.030 0.000 1.940 215 A HA -0.269 4.053 4.320 0.002 0.000 0.219 215 A C 2.086 179.684 177.584 0.024 0.000 1.176 215 A CA 1.855 53.913 52.037 0.035 0.000 0.631 215 A CB -0.415 18.599 19.000 0.023 0.000 0.814 215 A HN 0.172 nan 8.150 nan 0.000 0.446 216 E N 0.344 120.545 120.200 0.001 0.000 2.072 216 E HA -0.024 4.328 4.350 0.002 0.000 0.191 216 E C 1.998 178.597 176.600 -0.001 0.000 0.985 216 E CA 1.611 58.007 56.400 -0.006 0.000 0.801 216 E CB -0.534 29.152 29.700 -0.022 0.000 0.750 216 E HN 0.441 nan 8.360 nan 0.000 0.452 217 A N 0.524 123.338 122.820 -0.010 0.000 1.902 217 A HA -0.124 4.197 4.320 0.002 0.000 0.217 217 A C 2.082 179.709 177.584 0.072 0.000 1.181 217 A CA 1.399 53.444 52.037 0.014 0.000 0.623 217 A CB -0.691 18.276 19.000 -0.056 0.000 0.818 217 A HN 0.344 nan 8.150 nan 0.000 0.443 218 L N -0.253 121.034 121.223 0.106 0.000 2.079 218 L HA -0.117 4.225 4.340 0.002 0.000 0.210 218 L C 2.505 179.403 176.870 0.047 0.000 1.081 218 L CA 1.809 56.699 54.840 0.083 0.000 0.752 218 L CB -1.155 40.956 42.059 0.087 0.000 0.896 218 L HN 0.456 nan 8.230 nan 0.000 0.433 219 R N -0.670 119.851 120.500 0.036 0.000 2.073 219 R HA -0.178 4.164 4.340 0.002 0.000 0.234 219 R C 2.203 178.510 176.300 0.011 0.000 1.134 219 R CA 1.499 57.614 56.100 0.025 0.000 0.952 219 R CB -0.031 30.279 30.300 0.017 0.000 0.850 219 R HN 0.496 nan 8.270 nan 0.000 0.433 220 Q N -0.526 119.275 119.800 0.002 0.000 2.084 220 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 220 Q C 2.094 178.066 176.000 -0.046 0.000 0.978 220 Q CA 1.647 57.438 55.803 -0.019 0.000 0.844 220 Q CB -0.116 28.612 28.738 -0.016 0.000 0.898 220 Q HN 0.381 nan 8.270 nan 0.000 0.426 221 A N 1.388 124.186 122.820 -0.037 0.000 1.858 221 A HA -0.235 4.086 4.320 0.002 0.000 0.216 221 A C 2.052 179.624 177.584 -0.019 0.000 1.190 221 A CA 1.647 53.636 52.037 -0.080 0.000 0.617 221 A CB -0.572 18.389 19.000 -0.064 0.000 0.827 221 A HN 0.258 nan 8.150 nan 0.000 0.443 222 R N -0.309 120.226 120.500 0.058 0.000 2.091 222 R HA -0.126 4.215 4.340 0.002 0.000 0.238 222 R C 2.254 178.538 176.300 -0.026 0.000 1.136 222 R CA 1.689 57.836 56.100 0.078 0.000 0.959 222 R CB -0.481 29.883 30.300 0.106 0.000 0.856 222 R HN 0.427 nan 8.270 nan 0.000 0.437 223 A N 0.592 123.394 122.820 -0.030 0.000 1.908 223 A HA -0.134 4.187 4.320 0.002 0.000 0.218 223 A C 2.383 179.907 177.584 -0.099 0.000 1.181 223 A CA 1.784 53.793 52.037 -0.047 0.000 0.627 223 A CB -0.907 18.075 19.000 -0.030 0.000 0.818 223 A HN 0.572 nan 8.150 nan 0.000 0.445 224 A N -1.180 121.547 122.820 -0.155 0.000 1.877 224 A HA -0.003 4.318 4.320 0.002 0.000 0.216 224 A C 1.945 179.346 177.584 -0.305 0.000 1.186 224 A CA 1.581 53.478 52.037 -0.233 0.000 0.620 224 A CB -0.741 18.069 19.000 -0.316 0.000 0.822 224 A HN 0.447 nan 8.150 nan 0.000 0.443 225 F N 0.180 119.889 119.950 -0.402 0.000 2.134 225 F HA -0.099 4.429 4.527 0.002 0.000 0.299 225 F C 2.452 177.896 175.800 -0.593 0.000 1.097 225 F CA 1.779 59.369 58.000 -0.684 0.000 1.264 225 F CB -0.401 37.714 39.000 -1.475 0.000 1.001 225 F HN 0.315 nan 8.300 nan 0.000 0.479 226 E N -0.880 119.163 120.200 -0.260 0.000 2.152 226 E HA -0.134 4.217 4.350 0.002 0.000 0.192 226 E C 1.992 178.556 176.600 -0.060 0.000 0.983 226 E CA 1.598 57.939 56.400 -0.098 0.000 0.818 226 E CB -0.189 29.508 29.700 -0.004 0.000 0.758 226 E HN 0.420 nan 8.360 nan 0.000 0.467 227 T N -1.827 112.683 114.554 -0.072 0.000 3.081 227 T HA 0.144 4.496 4.350 0.002 0.000 0.250 227 T C 1.060 175.737 174.700 -0.039 0.000 1.100 227 T CA -0.159 61.915 62.100 -0.043 0.000 1.038 227 T CB 0.160 69.008 68.868 -0.034 0.000 0.962 227 T HN -0.096 nan 8.240 nan 0.000 0.516 228 R N 2.167 122.630 120.500 -0.063 0.000 2.835 228 R HA 0.314 4.656 4.340 0.002 0.000 0.290 228 R C -2.953 173.320 176.300 -0.044 0.000 1.410 228 R CA -1.732 54.344 56.100 -0.039 0.000 1.590 228 R CB 0.931 31.203 30.300 -0.047 0.000 1.288 228 R HN 0.313 nan 8.270 nan 0.000 0.637 229 P HA -0.031 nan 4.420 nan 0.000 0.271 229 P C -0.264 176.944 177.300 -0.154 0.000 1.220 229 P CA 0.403 63.378 63.100 -0.208 0.000 0.768 229 P CB 0.521 32.060 31.700 -0.268 0.000 0.848 230 H N -0.060 119.091 119.070 0.135 0.000 3.631 230 H HA -0.186 4.372 4.556 0.002 0.000 0.202 230 H C 0.574 175.964 175.328 0.104 0.000 1.029 230 H CA 1.407 57.530 56.048 0.125 0.000 1.208 230 H CB -2.016 27.802 29.762 0.095 0.000 1.124 230 H HN 0.458 nan 8.280 nan 0.000 0.329 231 D N 0.543 121.031 120.400 0.146 0.000 2.389 231 D HA 0.205 4.846 4.640 0.002 0.000 0.206 231 D C 0.855 177.187 176.300 0.052 0.000 1.055 231 D CA 0.067 54.123 54.000 0.094 0.000 0.856 231 D CB 0.427 41.265 40.800 0.062 0.000 0.957 231 D HN 0.382 nan 8.370 nan 0.000 0.509 232 I N 1.224 121.828 120.570 0.057 0.000 2.322 232 I HA 0.213 4.385 4.170 0.002 0.000 0.292 232 I C 1.285 177.462 176.117 0.099 0.000 1.060 232 I CA -0.435 60.864 61.300 -0.002 0.000 1.309 232 I CB 1.779 39.681 38.000 -0.164 0.000 1.415 232 I HN -0.119 nan 8.210 nan 0.000 0.492 233 A N 6.130 128.965 122.820 0.024 0.000 2.021 233 A HA 0.098 4.419 4.320 0.002 0.000 0.216 233 A C 0.782 178.344 177.584 -0.037 0.000 1.163 233 A CA 0.710 52.777 52.037 0.051 0.000 0.676 233 A CB -0.170 18.852 19.000 0.035 0.000 0.818 233 A HN 0.851 nan 8.150 nan 0.000 0.453 234 C N -4.753 114.482 119.300 -0.108 0.000 3.312 234 C HA 0.706 5.167 4.460 0.002 0.000 0.332 234 C C -1.135 173.823 174.990 -0.054 0.000 1.340 234 C CA -1.444 57.492 59.018 -0.137 0.000 1.265 234 C CB 0.350 27.894 27.740 -0.326 0.000 1.563 234 C HN 0.525 nan 8.230 nan 0.000 0.471 235 F N 1.922 121.767 119.950 -0.174 0.000 2.458 235 F HA 0.809 5.338 4.527 0.003 0.000 0.336 235 F C -0.639 175.031 175.800 -0.216 0.000 1.114 235 F CA -0.957 56.952 58.000 -0.152 0.000 0.987 235 F CB 1.540 40.497 39.000 -0.073 0.000 1.130 235 F HN 0.695 nan 8.300 nan 0.000 0.458 236 V N 5.121 124.551 119.914 -0.807 0.000 2.680 236 V HA 0.942 5.064 4.120 0.002 0.000 0.309 236 V C -0.465 175.121 176.094 -0.846 0.000 1.052 236 V CA -0.549 61.288 62.300 -0.772 0.000 0.908 236 V CB 1.089 32.544 31.823 -0.613 0.000 1.001 236 V HN 1.101 nan 8.190 nan 0.000 0.431 237 A N 3.053 125.574 122.820 -0.499 0.000 2.594 237 A HA 0.765 5.086 4.320 0.002 0.000 0.295 237 A C -0.903 176.853 177.584 0.286 0.000 1.071 237 A CA -0.762 51.256 52.037 -0.032 0.000 0.685 237 A CB 1.347 20.376 19.000 0.048 0.000 1.285 237 A HN 0.804 nan 8.150 nan 0.000 0.405 238 E N 1.856 122.293 120.200 0.395 0.000 2.289 238 E HA 0.279 4.630 4.350 0.002 0.000 0.278 238 E C -1.757 175.056 176.600 0.355 0.000 1.032 238 E CA -1.614 54.988 56.400 0.336 0.000 0.854 238 E CB 1.024 30.896 29.700 0.288 0.000 1.046 238 E HN 0.356 nan 8.360 nan 0.000 0.409 239 P HA -0.100 nan 4.420 nan 0.000 0.218 239 P C -0.235 177.305 177.300 0.401 0.000 1.149 239 P CA 1.267 64.365 63.100 -0.003 0.000 0.817 239 P CB 0.314 31.816 31.700 -0.331 0.000 0.785 240 I N -1.155 119.558 120.570 0.239 0.000 2.512 240 I HA 0.189 4.360 4.170 0.002 0.000 0.287 240 I C -0.196 175.986 176.117 0.108 0.000 1.069 240 I CA -0.766 60.581 61.300 0.078 0.000 1.056 240 I CB 2.231 40.086 38.000 -0.242 0.000 1.229 240 I HN -0.319 nan 8.210 nan 0.000 0.429 241 Q N 3.797 123.675 119.800 0.130 0.000 2.281 241 Q HA 0.232 4.574 4.340 0.002 0.000 0.267 241 Q C 0.933 176.931 176.000 -0.004 0.000 1.053 241 Q CA 0.025 55.899 55.803 0.119 0.000 0.905 241 Q CB 1.663 30.496 28.738 0.158 0.000 1.195 241 Q HN 0.934 nan 8.270 nan 0.000 0.398 242 G N 2.548 111.357 108.800 0.016 0.000 2.655 242 G HA2 -0.163 3.798 3.960 0.002 0.000 0.217 242 G HA3 -0.163 3.798 3.960 0.002 0.000 0.217 242 G C 0.920 175.781 174.900 -0.064 0.000 1.279 242 G CA 0.014 45.098 45.100 -0.027 0.000 0.870 242 G HN 0.522 nan 8.290 nan 0.000 0.560 243 E N 1.067 121.207 120.200 -0.100 0.000 2.160 243 E HA -0.095 4.257 4.350 0.002 0.000 0.195 243 E C 2.554 179.107 176.600 -0.078 0.000 0.991 243 E CA 1.052 57.350 56.400 -0.170 0.000 0.810 243 E CB -0.764 28.684 29.700 -0.419 0.000 0.742 243 E HN 0.377 nan 8.360 nan 0.000 0.466 244 G N 0.057 108.846 108.800 -0.018 0.000 2.679 244 G HA2 0.081 4.042 3.960 0.002 0.000 0.212 244 G HA3 0.081 4.042 3.960 0.002 0.000 0.212 244 G C 0.942 175.795 174.900 -0.079 0.000 1.137 244 G CA 0.586 45.679 45.100 -0.011 0.000 0.787 244 G HN 0.428 nan 8.290 nan 0.000 0.534 245 G N -0.031 108.709 108.800 -0.100 0.000 2.192 245 G HA2 0.002 3.963 3.960 0.002 0.000 0.152 245 G HA3 0.002 3.963 3.960 0.002 0.000 0.152 245 G C -0.211 174.613 174.900 -0.127 0.000 1.057 245 G CA -0.054 44.971 45.100 -0.124 0.000 0.748 245 G HN 0.260 nan 8.290 nan 0.000 0.488 246 D N -0.659 119.683 120.400 -0.097 0.000 2.803 246 D HA -0.157 4.484 4.640 0.002 0.000 0.233 246 D C 0.723 176.975 176.300 -0.080 0.000 1.182 246 D CA 1.341 55.301 54.000 -0.067 0.000 0.726 246 D CB -0.418 40.409 40.800 0.045 0.000 0.987 246 D HN 0.839 nan 8.370 nan 0.000 0.412 247 R N 1.349 121.706 120.500 -0.239 0.000 2.255 247 R HA 0.420 4.761 4.340 0.002 0.000 0.326 247 R C 0.162 176.186 176.300 -0.460 0.000 0.986 247 R CA -0.512 55.356 56.100 -0.387 0.000 0.847 247 R CB 1.295 31.176 30.300 -0.699 0.000 1.111 247 R HN 0.316 nan 8.270 nan 0.000 0.452 248 H N 2.651 121.508 119.070 -0.355 0.000 2.479 248 H HA 0.330 4.887 4.556 0.002 0.000 0.335 248 H C -0.587 174.535 175.328 -0.344 0.000 1.142 248 H CA -0.334 55.585 56.048 -0.214 0.000 1.234 248 H CB 1.440 31.186 29.762 -0.026 0.000 1.503 248 H HN 0.305 nan 8.280 nan 0.000 0.510 249 F N 0.443 120.586 119.950 0.321 0.000 2.546 249 F HA 0.366 4.894 4.527 0.002 0.000 0.320 249 F C 0.779 176.718 175.800 0.231 0.000 1.076 249 F CA -1.012 57.117 58.000 0.216 0.000 0.928 249 F CB 1.279 40.362 39.000 0.138 0.000 1.189 249 F HN 0.245 nan 8.300 nan 0.000 0.465 250 R N 2.248 122.961 120.500 0.355 0.000 2.643 250 R HA 0.120 4.462 4.340 0.002 0.000 0.270 250 R C -1.766 174.735 176.300 0.335 0.000 1.061 250 R CA -1.210 55.060 56.100 0.283 0.000 1.107 250 R CB 0.141 30.560 30.300 0.199 0.000 0.999 250 R HN 0.311 nan 8.270 nan 0.000 0.460 251 P HA -0.165 nan 4.420 nan 0.000 0.218 251 P C 0.449 177.904 177.300 0.258 0.000 1.148 251 P CA 1.213 64.502 63.100 0.316 0.000 0.822 251 P CB 0.279 32.114 31.700 0.225 0.000 0.784 252 E N -1.416 118.903 120.200 0.199 0.000 2.097 252 E HA -0.202 4.149 4.350 0.002 0.000 0.196 252 E C 1.673 178.365 176.600 0.154 0.000 1.000 252 E CA 1.036 57.529 56.400 0.154 0.000 0.804 252 E CB -1.109 28.670 29.700 0.132 0.000 0.740 252 E HN 0.255 nan 8.360 nan 0.000 0.454 253 F N -0.103 119.853 119.950 0.010 0.000 2.102 253 F HA -0.152 4.376 4.527 0.002 0.000 0.298 253 F C 1.650 177.391 175.800 -0.099 0.000 1.105 253 F CA 1.212 59.146 58.000 -0.110 0.000 1.239 253 F CB -0.301 38.557 39.000 -0.237 0.000 0.991 253 F HN -0.039 nan 8.300 nan 0.000 0.474 254 F N 0.638 120.519 119.950 -0.116 0.000 2.206 254 F HA 0.040 4.568 4.527 0.003 0.000 0.298 254 F C 2.612 178.355 175.800 -0.094 0.000 1.090 254 F CA 0.938 58.845 58.000 -0.155 0.000 1.323 254 F CB -1.563 37.556 39.000 0.198 0.000 1.028 254 F HN 0.085 nan 8.300 nan 0.000 0.492 255 A N 0.169 123.083 122.820 0.155 0.000 1.908 255 A HA -0.120 4.201 4.320 0.002 0.000 0.218 255 A C 2.475 180.057 177.584 -0.003 0.000 1.181 255 A CA 1.997 54.084 52.037 0.083 0.000 0.627 255 A CB -1.311 17.745 19.000 0.093 0.000 0.818 255 A HN 0.298 nan 8.150 nan 0.000 0.445 256 A N -0.989 121.804 122.820 -0.045 0.000 1.877 256 A HA -0.126 4.196 4.320 0.002 0.000 0.216 256 A C 2.176 179.668 177.584 -0.154 0.000 1.186 256 A CA 2.013 54.003 52.037 -0.079 0.000 0.620 256 A CB -0.487 18.484 19.000 -0.048 0.000 0.822 256 A HN 0.425 nan 8.150 nan 0.000 0.443 257 M N -0.831 118.590 119.600 -0.298 0.000 2.159 257 M HA -0.115 4.366 4.480 0.002 0.000 0.263 257 M C 2.144 178.337 176.300 -0.178 0.000 1.063 257 M CA 1.662 56.752 55.300 -0.351 0.000 1.110 257 M CB -1.224 31.004 32.600 -0.621 0.000 1.374 257 M HN 0.485 nan 8.290 nan 0.000 0.411 258 R N 1.222 121.663 120.500 -0.098 0.000 2.083 258 R HA -0.136 4.205 4.340 0.002 0.000 0.237 258 R C 1.806 178.050 176.300 -0.093 0.000 1.137 258 R CA 1.978 58.031 56.100 -0.078 0.000 0.951 258 R CB -0.797 29.485 30.300 -0.031 0.000 0.851 258 R HN 0.488 nan 8.270 nan 0.000 0.434 259 E N -0.303 119.849 120.200 -0.081 0.000 2.077 259 E HA -0.180 4.171 4.350 0.002 0.000 0.193 259 E C 1.926 178.456 176.600 -0.117 0.000 0.989 259 E CA 1.367 57.715 56.400 -0.087 0.000 0.800 259 E CB -0.245 29.416 29.700 -0.064 0.000 0.746 259 E HN 0.178 nan 8.360 nan 0.000 0.452 260 L N 0.551 121.707 121.223 -0.111 0.000 2.093 260 L HA -0.168 4.174 4.340 0.002 0.000 0.208 260 L C 2.199 178.940 176.870 -0.216 0.000 1.085 260 L CA 1.454 56.228 54.840 -0.109 0.000 0.755 260 L CB -0.323 41.714 42.059 -0.038 0.000 0.904 260 L HN 0.218 nan 8.230 nan 0.000 0.435 261 C N -0.282 118.910 119.300 -0.181 0.000 2.413 261 C HA -0.167 4.294 4.460 0.002 0.000 0.276 261 C C 2.374 177.246 174.990 -0.196 0.000 1.236 261 C CA 0.983 59.893 59.018 -0.179 0.000 1.735 261 C CB -1.021 26.672 27.740 -0.078 0.000 2.031 261 C HN 0.585 nan 8.230 nan 0.000 0.474 262 D N 0.104 120.402 120.400 -0.169 0.000 2.144 262 D HA -0.128 4.514 4.640 0.002 0.000 0.200 262 D C 2.115 178.299 176.300 -0.192 0.000 0.978 262 D CA 1.010 54.919 54.000 -0.152 0.000 0.833 262 D CB -0.601 40.126 40.800 -0.121 0.000 0.961 262 D HN 0.633 nan 8.370 nan 0.000 0.470 263 E N -0.649 119.392 120.200 -0.265 0.000 2.110 263 E HA -0.158 4.193 4.350 0.002 0.000 0.193 263 E C 0.820 177.052 176.600 -0.614 0.000 0.988 263 E CA 0.764 56.908 56.400 -0.427 0.000 0.804 263 E CB -0.018 29.378 29.700 -0.506 0.000 0.745 263 E HN 0.227 nan 8.360 nan 0.000 0.458 264 F N 0.898 120.607 119.950 -0.402 0.000 2.641 264 F HA 0.151 4.679 4.527 0.001 0.000 0.302 264 F C -0.141 175.538 175.800 -0.203 0.000 1.098 264 F CA -0.104 57.660 58.000 -0.393 0.000 1.318 264 F CB 0.612 39.106 39.000 -0.842 0.000 1.035 264 F HN -0.148 nan 8.300 nan 0.000 0.551 265 D N 1.088 121.457 120.400 -0.053 0.000 2.697 265 D HA -0.174 4.468 4.640 0.002 0.000 0.238 265 D C 0.062 176.438 176.300 0.126 0.000 1.152 265 D CA 0.874 54.878 54.000 0.006 0.000 0.666 265 D CB -0.861 39.900 40.800 -0.065 0.000 1.037 265 D HN 0.305 nan 8.370 nan 0.000 0.423 266 A N 0.350 123.187 122.820 0.030 0.000 2.365 266 A HA 0.726 5.047 4.320 0.002 0.000 0.318 266 A C 0.267 177.751 177.584 -0.166 0.000 1.091 266 A CA -0.702 51.365 52.037 0.049 0.000 0.763 266 A CB 1.272 20.429 19.000 0.262 0.000 1.248 266 A HN 0.189 nan 8.150 nan 0.000 0.442 267 L N 1.421 122.462 121.223 -0.304 0.000 2.418 267 L HA 0.401 4.742 4.340 0.002 0.000 0.265 267 L C -0.207 176.489 176.870 -0.290 0.000 1.143 267 L CA -0.383 54.194 54.840 -0.437 0.000 0.809 267 L CB 0.940 42.645 42.059 -0.590 0.000 1.124 267 L HN 0.698 nan 8.230 nan 0.000 0.456 268 L N 3.980 125.004 121.223 -0.333 0.000 2.287 268 L HA 0.541 4.882 4.340 0.002 0.000 0.287 268 L C -0.591 175.969 176.870 -0.518 0.000 1.022 268 L CA -0.486 54.143 54.840 -0.352 0.000 0.814 268 L CB 1.495 43.341 42.059 -0.356 0.000 1.217 268 L HN 0.537 nan 8.230 nan 0.000 0.420 269 I N 3.104 123.340 120.570 -0.555 0.000 2.406 269 I HA 0.540 4.711 4.170 0.002 0.000 0.290 269 I C -1.583 174.196 176.117 -0.564 0.000 0.999 269 I CA -0.000 60.982 61.300 -0.529 0.000 1.124 269 I CB 1.288 39.041 38.000 -0.411 0.000 1.289 269 I HN 0.323 nan 8.210 nan 0.000 0.441 270 F N 5.054 124.820 119.950 -0.307 0.000 2.408 270 F HA 0.382 4.910 4.527 0.002 0.000 0.344 270 F C 0.343 176.060 175.800 -0.138 0.000 1.112 270 F CA -0.443 57.413 58.000 -0.240 0.000 1.096 270 F CB 1.010 39.872 39.000 -0.229 0.000 1.129 270 F HN 0.501 nan 8.300 nan 0.000 0.486 271 D N 3.450 123.959 120.400 0.183 0.000 2.441 271 D HA 0.074 4.715 4.640 0.002 0.000 0.221 271 D C 0.180 176.622 176.300 0.236 0.000 1.156 271 D CA 0.086 54.200 54.000 0.190 0.000 0.896 271 D CB 0.398 41.380 40.800 0.305 0.000 1.028 271 D HN 0.546 nan 8.370 nan 0.000 0.509 272 E N 2.802 123.149 120.200 0.245 0.000 2.394 272 E HA 0.039 4.390 4.350 0.002 0.000 0.191 272 E C 1.576 178.404 176.600 0.382 0.000 1.044 272 E CA -0.090 56.505 56.400 0.325 0.000 0.939 272 E CB 0.905 30.874 29.700 0.449 0.000 1.089 272 E HN 0.358 nan 8.360 nan 0.000 0.456 273 V N 0.766 120.867 119.914 0.311 0.000 2.332 273 V HA -0.289 3.832 4.120 0.002 0.000 0.248 273 V C 2.397 178.646 176.094 0.259 0.000 1.055 273 V CA 1.992 64.475 62.300 0.304 0.000 1.038 273 V CB -0.253 31.721 31.823 0.251 0.000 0.651 273 V HN 0.313 nan 8.190 nan 0.000 0.450 274 Q N -0.467 119.461 119.800 0.213 0.000 2.297 274 Q HA -0.094 4.247 4.340 0.002 0.000 0.203 274 Q C 2.210 178.287 176.000 0.128 0.000 0.931 274 Q CA 1.327 57.220 55.803 0.150 0.000 0.885 274 Q CB 0.192 28.997 28.738 0.111 0.000 0.991 274 Q HN 0.803 nan 8.270 nan 0.000 0.498 275 T N -2.707 111.937 114.554 0.149 0.000 3.067 275 T HA 0.192 4.543 4.350 0.002 0.000 0.261 275 T C 0.939 175.699 174.700 0.101 0.000 1.110 275 T CA 0.242 62.405 62.100 0.106 0.000 1.113 275 T CB 0.177 69.102 68.868 0.093 0.000 0.917 275 T HN 0.212 nan 8.240 nan 0.000 0.499 276 G N -0.381 108.537 108.800 0.197 0.000 2.588 276 G HA2 0.368 4.329 3.960 0.002 0.000 0.281 276 G HA3 0.368 4.329 3.960 0.002 0.000 0.281 276 G C 0.330 175.125 174.900 -0.174 0.000 1.236 276 G CA -0.200 44.986 45.100 0.144 0.000 0.969 276 G HN 0.679 nan 8.290 nan 0.000 0.504 277 C N -0.674 118.264 119.300 -0.604 0.000 4.167 277 C HA -0.058 4.404 4.460 0.002 0.000 0.302 277 C C 1.875 176.721 174.990 -0.239 0.000 1.384 277 C CA 1.236 59.988 59.018 -0.442 0.000 2.041 277 C CB -1.823 25.816 27.740 -0.168 0.000 1.303 277 C HN 2.810 nan 8.230 nan 0.000 0.718 278 G N -0.557 107.951 108.800 -0.486 0.000 2.217 278 G HA2 -0.308 3.653 3.960 0.002 0.000 0.246 278 G HA3 -0.308 3.653 3.960 0.002 0.000 0.246 278 G C 0.583 175.383 174.900 -0.167 0.000 0.990 278 G CA 0.407 45.265 45.100 -0.403 0.000 0.627 278 G HN 1.445 nan 8.290 nan 0.000 0.522 279 L N 1.863 123.017 121.223 -0.114 0.000 2.079 279 L HA 0.078 4.419 4.340 0.002 0.000 0.210 279 L C 2.935 179.785 176.870 -0.033 0.000 1.081 279 L CA 3.485 58.302 54.840 -0.039 0.000 0.752 279 L CB -0.599 41.455 42.059 -0.009 0.000 0.896 279 L HN 0.698 nan 8.230 nan 0.000 0.433 280 T N -4.193 110.318 114.554 -0.073 0.000 3.129 280 T HA 0.368 4.720 4.350 0.002 0.000 0.251 280 T C 1.380 176.042 174.700 -0.064 0.000 1.117 280 T CA 0.391 62.468 62.100 -0.039 0.000 1.034 280 T CB 0.040 68.890 68.868 -0.030 0.000 0.968 280 T HN 0.606 nan 8.240 nan 0.000 0.526 281 G N 0.932 109.664 108.800 -0.114 0.000 2.218 281 G HA2 -0.161 3.801 3.960 0.002 0.000 0.216 281 G HA3 -0.161 3.801 3.960 0.002 0.000 0.216 281 G C 0.236 175.006 174.900 -0.217 0.000 0.994 281 G CA 0.097 45.140 45.100 -0.096 0.000 0.637 281 G HN 1.148 nan 8.290 nan 0.000 0.505 282 T N -2.507 111.807 114.554 -0.401 0.000 2.907 282 T HA 0.820 5.171 4.350 0.002 0.000 0.290 282 T C 1.515 175.564 174.700 -1.086 0.000 1.066 282 T CA 0.409 62.143 62.100 -0.610 0.000 1.012 282 T CB 1.633 70.287 68.868 -0.357 0.000 1.184 282 T HN 1.379 nan 8.240 nan 0.000 0.522 283 A N 0.001 122.027 122.820 -1.323 0.000 1.903 283 A HA 0.052 4.374 4.320 0.002 0.000 0.219 283 A C 0.217 176.999 177.584 -1.337 0.000 1.191 283 A CA 0.899 52.048 52.037 -1.481 0.000 0.638 283 A CB -0.889 17.509 19.000 -1.003 0.000 0.823 283 A HN 0.802 nan 8.150 nan 0.000 0.451 284 W N -4.118 116.896 121.300 -0.476 0.000 2.915 284 W HA 0.611 5.273 4.660 0.002 0.000 0.337 284 W C 0.906 177.181 176.519 -0.407 0.000 1.102 284 W CA -0.453 56.666 57.345 -0.377 0.000 1.224 284 W CB 1.734 30.920 29.460 -0.457 0.000 1.416 284 W HN 0.092 nan 8.180 nan 0.000 0.503 285 A N 1.435 124.247 122.820 -0.013 0.000 1.933 285 A HA -0.254 4.068 4.320 0.002 0.000 0.218 285 A C 1.689 179.187 177.584 -0.143 0.000 1.175 285 A CA 2.096 54.083 52.037 -0.083 0.000 0.628 285 A CB -1.160 17.814 19.000 -0.043 0.000 0.814 285 A HN 0.870 nan 8.150 nan 0.000 0.444 286 Y N -0.241 119.949 120.300 -0.184 0.000 2.403 286 Y HA -0.135 4.416 4.550 0.002 0.000 0.291 286 Y C 1.939 177.805 175.900 -0.057 0.000 1.143 286 Y CA 1.403 59.338 58.100 -0.275 0.000 1.257 286 Y CB -0.852 37.407 38.460 -0.335 0.000 0.984 286 Y HN 0.388 nan 8.280 nan 0.000 0.550 287 Q N 0.366 119.851 119.800 -0.525 0.000 2.291 287 Q HA -0.165 4.176 4.340 0.002 0.000 0.206 287 Q C 1.875 177.812 176.000 -0.105 0.000 0.976 287 Q CA 1.572 57.188 55.803 -0.312 0.000 0.875 287 Q CB -0.133 28.386 28.738 -0.366 0.000 0.927 287 Q HN 0.716 nan 8.270 nan 0.000 0.450 288 Q N -0.429 119.321 119.800 -0.083 0.000 2.408 288 Q HA 0.086 4.428 4.340 0.002 0.000 0.205 288 Q C 1.350 177.379 176.000 0.048 0.000 0.919 288 Q CA 0.253 56.047 55.803 -0.014 0.000 0.932 288 Q CB 0.544 29.272 28.738 -0.015 0.000 1.058 288 Q HN 0.352 nan 8.270 nan 0.000 0.517 289 L N 0.066 121.331 121.223 0.069 0.000 2.585 289 L HA 0.087 4.429 4.340 0.002 0.000 0.226 289 L C 0.166 177.132 176.870 0.160 0.000 1.113 289 L CA -0.091 54.834 54.840 0.142 0.000 0.876 289 L CB 0.318 42.477 42.059 0.166 0.000 1.072 289 L HN 0.151 nan 8.230 nan 0.000 0.468 290 D N 1.337 121.818 120.400 0.135 0.000 2.708 290 D HA -0.153 4.488 4.640 0.002 0.000 0.236 290 D C -0.716 175.683 176.300 0.165 0.000 1.146 290 D CA 0.422 54.504 54.000 0.136 0.000 0.662 290 D CB -0.444 40.418 40.800 0.105 0.000 1.059 290 D HN 0.026 nan 8.370 nan 0.000 0.428 291 V N 0.390 120.439 119.914 0.225 0.000 2.588 291 V HA 0.694 4.816 4.120 0.002 0.000 0.304 291 V C 0.424 176.656 176.094 0.231 0.000 1.042 291 V CA -0.573 61.862 62.300 0.226 0.000 0.877 291 V CB 1.982 33.993 31.823 0.312 0.000 0.996 291 V HN 0.295 nan 8.190 nan 0.000 0.425 292 A N 7.538 130.416 122.820 0.096 0.000 2.279 292 A HA 0.792 5.114 4.320 0.002 0.000 0.306 292 A C -2.247 175.244 177.584 -0.155 0.000 1.300 292 A CA -1.394 50.640 52.037 -0.005 0.000 0.925 292 A CB 0.247 19.242 19.000 -0.008 0.000 1.152 292 A HN 0.596 nan 8.150 nan 0.000 0.544 293 P HA 0.247 nan 4.420 nan 0.000 0.278 293 P C -0.397 176.677 177.300 -0.377 0.000 1.258 293 P CA -0.288 62.542 63.100 -0.450 0.000 0.811 293 P CB 1.210 32.579 31.700 -0.553 0.000 1.063 294 D N -0.121 120.048 120.400 -0.386 0.000 2.271 294 D HA 0.089 4.730 4.640 0.002 0.000 0.206 294 D C 0.755 176.860 176.300 -0.325 0.000 0.967 294 D CA 1.135 54.928 54.000 -0.345 0.000 0.867 294 D CB 0.478 41.030 40.800 -0.413 0.000 0.960 294 D HN 0.324 nan 8.370 nan 0.000 0.509 295 I N -0.530 119.830 120.570 -0.350 0.000 2.752 295 I HA 0.299 4.470 4.170 0.002 0.000 0.295 295 I C -1.888 174.054 176.117 -0.292 0.000 1.219 295 I CA -0.771 60.353 61.300 -0.292 0.000 1.030 295 I CB 2.632 40.491 38.000 -0.236 0.000 1.259 295 I HN -0.382 nan 8.210 nan 0.000 0.423 296 V N 6.415 126.187 119.914 -0.237 0.000 2.487 296 V HA 0.864 4.985 4.120 0.002 0.000 0.298 296 V C 0.236 176.269 176.094 -0.101 0.000 1.028 296 V CA -0.314 61.868 62.300 -0.197 0.000 0.860 296 V CB 1.391 33.008 31.823 -0.343 0.000 0.991 296 V HN 0.996 nan 8.190 nan 0.000 0.427 297 A N 5.521 128.298 122.820 -0.071 0.000 2.301 297 A HA 0.952 5.273 4.320 0.002 0.000 0.312 297 A C -0.731 176.891 177.584 0.064 0.000 1.182 297 A CA -0.276 51.704 52.037 -0.094 0.000 0.826 297 A CB 0.455 19.411 19.000 -0.073 0.000 1.134 297 A HN 0.941 nan 8.150 nan 0.000 0.501 298 F N 0.126 120.181 119.950 0.175 0.000 2.640 298 F HA 0.972 5.500 4.527 0.002 0.000 0.324 298 F C 0.348 176.340 175.800 0.320 0.000 1.077 298 F CA -0.451 57.752 58.000 0.338 0.000 0.965 298 F CB 1.219 40.572 39.000 0.589 0.000 1.351 298 F HN 1.052 nan 8.300 nan 0.000 0.487 299 G N -0.099 109.044 108.800 0.572 0.000 2.393 299 G HA2 0.394 4.356 3.960 0.002 0.000 0.264 299 G HA3 0.394 4.356 3.960 0.002 0.000 0.264 299 G C -0.639 174.469 174.900 0.346 0.000 1.221 299 G CA -0.214 45.129 45.100 0.404 0.000 0.912 299 G HN 0.870 nan 8.290 nan 0.000 0.483 300 K N -0.861 119.684 120.400 0.241 0.000 3.860 300 K HA -0.326 3.996 4.320 0.002 0.000 0.215 300 K C 2.062 178.771 176.600 0.181 0.000 0.729 300 K CA 2.195 58.592 56.287 0.183 0.000 0.634 300 K CB -1.173 31.422 32.500 0.158 0.000 0.774 300 K HN 0.442 nan 8.250 nan 0.000 0.793 301 K N 0.648 121.149 120.400 0.169 0.000 2.211 301 K HA -0.138 4.184 4.320 0.002 0.000 0.204 301 K C 2.063 178.769 176.600 0.176 0.000 1.047 301 K CA 1.958 58.328 56.287 0.139 0.000 0.935 301 K CB -0.306 32.250 32.500 0.094 0.000 0.728 301 K HN 0.664 nan 8.250 nan 0.000 0.452 302 T N -1.469 113.251 114.554 0.276 0.000 3.051 302 T HA -0.110 4.241 4.350 0.002 0.000 0.269 302 T C 0.968 175.849 174.700 0.301 0.000 1.127 302 T CA 0.629 62.950 62.100 0.368 0.000 1.107 302 T CB 0.048 69.299 68.868 0.639 0.000 0.898 302 T HN 0.169 nan 8.240 nan 0.000 0.517 303 Q N -0.776 119.155 119.800 0.218 0.000 3.147 303 Q HA -0.189 4.152 4.340 0.002 0.000 0.202 303 Q C 0.609 176.674 176.000 0.109 0.000 2.797 303 Q CA 1.935 57.809 55.803 0.120 0.000 0.245 303 Q CB -2.354 26.419 28.738 0.058 0.000 0.196 303 Q HN 0.629 nan 8.270 nan 0.000 0.449 304 V N 2.113 122.091 119.914 0.107 0.000 2.649 304 V HA 0.351 4.472 4.120 0.002 0.000 0.292 304 V C 1.026 177.348 176.094 0.380 0.000 1.055 304 V CA -0.380 61.998 62.300 0.131 0.000 1.023 304 V CB 1.358 33.169 31.823 -0.021 0.000 0.992 304 V HN 0.485 nan 8.190 nan 0.000 0.480 305 C N 2.654 122.133 119.300 0.299 0.000 2.423 305 C HA 1.062 5.524 4.460 0.002 0.000 0.378 305 C C 0.978 175.976 174.990 0.013 0.000 1.244 305 C CA 0.454 59.606 59.018 0.224 0.000 1.978 305 C CB 1.011 28.815 27.740 0.107 0.000 2.252 305 C HN 1.374 nan 8.230 nan 0.000 0.526 306 G N -0.811 107.567 108.800 -0.704 0.000 2.344 306 G HA2 0.502 4.464 3.960 0.002 0.000 0.282 306 G HA3 0.502 4.464 3.960 0.002 0.000 0.282 306 G C -1.376 172.814 174.900 -1.183 0.000 1.281 306 G CA 0.325 44.957 45.100 -0.780 0.000 0.877 306 G HN 1.676 nan 8.290 nan 0.000 0.494 307 V N -2.449 117.142 119.914 -0.539 0.000 2.962 307 V HA 0.912 5.033 4.120 0.002 0.000 0.313 307 V C -0.149 175.983 176.094 0.065 0.000 1.099 307 V CA -1.079 61.097 62.300 -0.206 0.000 0.971 307 V CB 1.792 33.587 31.823 -0.046 0.000 1.028 307 V HN 0.943 nan 8.190 nan 0.000 0.430 308 M N 3.468 123.132 119.600 0.105 0.000 2.311 308 M HA 0.910 5.392 4.480 0.002 0.000 0.325 308 M C -0.303 175.892 176.300 -0.175 0.000 1.061 308 M CA -0.587 54.706 55.300 -0.011 0.000 0.957 308 M CB 1.981 34.606 32.600 0.042 0.000 1.646 308 M HN 1.040 nan 8.290 nan 0.000 0.434 309 A N 1.784 124.425 122.820 -0.298 0.000 2.498 309 A HA 1.059 5.381 4.320 0.002 0.000 0.298 309 A C -0.293 177.170 177.584 -0.202 0.000 1.075 309 A CA -0.060 51.776 52.037 -0.335 0.000 0.714 309 A CB 2.017 20.640 19.000 -0.628 0.000 1.299 309 A HN 1.034 nan 8.150 nan 0.000 0.407 310 G N -0.203 108.514 108.800 -0.140 0.000 2.552 310 G HA2 0.498 4.460 3.960 0.002 0.000 0.137 310 G HA3 0.498 4.460 3.960 0.002 0.000 0.137 310 G C 0.311 175.152 174.900 -0.098 0.000 1.135 310 G CA 0.788 45.849 45.100 -0.064 0.000 1.047 310 G HN 1.339 nan 8.290 nan 0.000 0.501 311 R N -0.920 119.527 120.500 -0.088 0.000 3.731 311 R HA -0.277 4.064 4.340 0.002 0.000 0.488 311 R C 2.111 178.373 176.300 -0.064 0.000 0.241 311 R CA 2.475 58.522 56.100 -0.088 0.000 1.531 311 R CB -1.141 29.074 30.300 -0.142 0.000 0.923 311 R HN 0.545 nan 8.270 nan 0.000 0.596 312 R N 0.174 120.593 120.500 -0.134 0.000 2.235 312 R HA -0.021 4.321 4.340 0.002 0.000 0.213 312 R C 2.126 178.424 176.300 -0.003 0.000 1.059 312 R CA 1.157 57.214 56.100 -0.072 0.000 0.997 312 R CB -0.020 30.164 30.300 -0.193 0.000 0.884 312 R HN 0.311 nan 8.270 nan 0.000 0.462 313 V N 1.738 121.550 119.914 -0.169 0.000 2.324 313 V HA -0.283 3.838 4.120 0.002 0.000 0.250 313 V C 1.607 177.874 176.094 0.287 0.000 1.060 313 V CA 1.944 64.224 62.300 -0.033 0.000 1.042 313 V CB -0.366 31.441 31.823 -0.026 0.000 0.650 313 V HN 0.316 nan 8.190 nan 0.000 0.450 314 D N -0.381 120.146 120.400 0.211 0.000 2.310 314 D HA -0.145 4.497 4.640 0.002 0.000 0.212 314 D C 2.028 178.461 176.300 0.222 0.000 0.965 314 D CA 0.824 54.955 54.000 0.219 0.000 0.879 314 D CB -0.097 40.817 40.800 0.190 0.000 0.921 314 D HN 0.614 nan 8.370 nan 0.000 0.510 315 E N 0.173 120.548 120.200 0.292 0.000 2.333 315 E HA -0.053 4.299 4.350 0.002 0.000 0.198 315 E C 0.271 176.988 176.600 0.195 0.000 1.007 315 E CA 0.289 56.845 56.400 0.260 0.000 0.845 315 E CB 0.521 30.427 29.700 0.343 0.000 0.766 315 E HN 0.011 nan 8.360 nan 0.000 0.507 316 V N 1.246 121.289 119.914 0.214 0.000 2.311 316 V HA 0.191 4.312 4.120 0.002 0.000 0.275 316 V C 0.789 176.928 176.094 0.075 0.000 1.022 316 V CA -0.050 62.273 62.300 0.038 0.000 0.830 316 V CB 1.088 32.820 31.823 -0.153 0.000 1.012 316 V HN 0.149 nan 8.190 nan 0.000 0.452 317 A N 3.889 126.730 122.820 0.036 0.000 2.019 317 A HA -0.095 4.226 4.320 0.002 0.000 0.219 317 A C 1.275 178.875 177.584 0.028 0.000 1.164 317 A CA 1.544 53.605 52.037 0.041 0.000 0.644 317 A CB -0.171 18.843 19.000 0.022 0.000 0.805 317 A HN 0.866 nan 8.150 nan 0.000 0.449 318 D N 0.080 120.482 120.400 0.004 0.000 2.722 318 D HA 0.116 4.758 4.640 0.002 0.000 0.239 318 D C 0.013 176.304 176.300 -0.014 0.000 1.249 318 D CA -0.465 53.530 54.000 -0.009 0.000 0.830 318 D CB -1.289 39.498 40.800 -0.023 0.000 1.025 318 D HN 0.592 nan 8.370 nan 0.000 0.486 319 N N -1.195 117.513 118.700 0.014 0.000 2.263 319 N HA -0.037 4.704 4.740 0.002 0.000 0.239 319 N C 0.837 176.283 175.510 -0.106 0.000 1.317 319 N CA -0.707 52.350 53.050 0.012 0.000 0.909 319 N CB 0.622 39.191 38.487 0.137 0.000 1.171 319 N HN -0.153 nan 8.380 nan 0.000 0.492 320 V N -0.661 119.087 119.914 -0.275 0.000 2.970 320 V HA -0.034 4.088 4.120 0.002 0.000 0.260 320 V C 0.670 176.398 176.094 -0.609 0.000 1.100 320 V CA 1.102 63.113 62.300 -0.482 0.000 1.122 320 V CB -1.149 30.303 31.823 -0.617 0.000 0.721 320 V HN 0.609 nan 8.190 nan 0.000 0.483 321 F N -0.489 119.352 119.950 -0.181 0.000 2.789 321 F HA 0.316 4.844 4.527 0.002 0.000 0.300 321 F C 1.895 177.618 175.800 -0.128 0.000 1.132 321 F CA 0.775 58.656 58.000 -0.198 0.000 1.404 321 F CB -0.282 38.467 39.000 -0.419 0.000 1.114 321 F HN 0.148 nan 8.300 nan 0.000 0.584 322 A N -0.821 122.004 122.820 0.008 0.000 2.259 322 A HA 0.412 4.734 4.320 0.002 0.000 0.213 322 A C 0.392 177.986 177.584 0.017 0.000 1.209 322 A CA 0.178 52.234 52.037 0.031 0.000 0.910 322 A CB 0.112 19.128 19.000 0.027 0.000 0.946 322 A HN -0.021 nan 8.150 nan 0.000 0.497 323 V N 2.518 122.420 119.914 -0.019 0.000 2.417 323 V HA 0.354 4.476 4.120 0.002 0.000 0.291 323 V C -2.599 173.484 176.094 -0.018 0.000 1.024 323 V CA -1.906 60.382 62.300 -0.020 0.000 0.861 323 V CB 1.368 33.167 31.823 -0.041 0.000 0.985 323 V HN 0.198 nan 8.190 nan 0.000 0.436 324 P HA 0.150 nan 4.420 nan 0.000 0.268 324 P C 0.599 177.901 177.300 0.005 0.000 1.205 324 P CA 0.352 63.467 63.100 0.024 0.000 0.771 324 P CB 0.769 32.490 31.700 0.035 0.000 0.858 325 S N 0.266 115.976 115.700 0.016 0.000 3.228 325 S HA -0.166 4.305 4.470 0.002 0.000 0.282 325 S C 1.475 176.060 174.600 -0.025 0.000 1.286 325 S CA 0.794 58.999 58.200 0.008 0.000 1.066 325 S CB -0.961 62.244 63.200 0.008 0.000 1.277 325 S HN 0.513 nan 8.310 nan 0.000 0.661 326 R N -0.092 120.369 120.500 -0.066 0.000 2.100 326 R HA 0.245 4.586 4.340 0.002 0.000 0.220 326 R C 0.895 177.106 176.300 -0.149 0.000 1.091 326 R CA 0.864 56.898 56.100 -0.109 0.000 0.986 326 R CB -0.154 30.051 30.300 -0.158 0.000 0.888 326 R HN 0.494 nan 8.270 nan 0.000 0.444 327 L N 0.951 122.050 121.223 -0.205 0.000 2.346 327 L HA 0.439 4.780 4.340 0.002 0.000 0.274 327 L C -0.500 176.390 176.870 0.033 0.000 1.007 327 L CA -0.803 53.880 54.840 -0.263 0.000 0.818 327 L CB 1.772 43.323 42.059 -0.847 0.000 1.284 327 L HN -0.013 nan 8.230 nan 0.000 0.424 328 N N 0.272 119.080 118.700 0.179 0.000 3.322 328 N HA 0.581 5.322 4.740 0.002 0.000 0.233 328 N C -1.692 173.955 175.510 0.229 0.000 1.399 328 N CA -0.359 52.851 53.050 0.267 0.000 0.894 328 N CB 2.073 40.634 38.487 0.123 0.000 1.440 328 N HN 0.727 nan 8.380 nan 0.000 0.503 329 S N -1.180 114.616 115.700 0.161 0.000 2.596 329 S HA 0.439 4.911 4.470 0.002 0.000 0.270 329 S C 0.344 174.939 174.600 -0.008 0.000 1.155 329 S CA -0.252 57.991 58.200 0.071 0.000 0.827 329 S CB 1.044 64.308 63.200 0.108 0.000 1.130 329 S HN 0.441 nan 8.310 nan 0.000 0.467 330 T N 0.901 115.370 114.554 -0.142 0.000 2.635 330 T HA -0.103 4.249 4.350 0.002 0.000 0.267 330 T C 0.890 175.458 174.700 -0.220 0.000 1.040 330 T CA 1.922 63.833 62.100 -0.316 0.000 1.156 330 T CB -0.366 68.085 68.868 -0.695 0.000 0.863 330 T HN 0.690 nan 8.240 nan 0.000 0.430 331 W N 0.485 121.791 121.300 0.011 0.000 2.640 331 W HA 0.370 5.032 4.660 0.002 0.000 0.268 331 W C 1.797 178.317 176.519 0.002 0.000 1.263 331 W CA 0.458 57.803 57.345 0.001 0.000 1.344 331 W CB -0.842 28.613 29.460 -0.008 0.000 1.093 331 W HN 0.508 nan 8.180 nan 0.000 0.603 332 G N 1.700 110.614 108.800 0.190 0.000 2.295 332 G HA2 0.074 4.035 3.960 0.002 0.000 0.287 332 G HA3 0.074 4.035 3.960 0.002 0.000 0.287 332 G C 0.639 175.592 174.900 0.089 0.000 1.055 332 G CA 0.640 45.790 45.100 0.084 0.000 0.922 332 G HN 0.829 nan 8.290 nan 0.000 0.503 333 G N -1.032 107.837 108.800 0.116 0.000 2.690 333 G HA2 0.124 4.085 3.960 0.002 0.000 0.686 333 G HA3 0.124 4.085 3.960 0.002 0.000 0.686 333 G C -0.409 174.488 174.900 -0.005 0.000 1.277 333 G CA 0.082 45.214 45.100 0.054 0.000 0.799 333 G HN 1.251 nan 8.290 nan 0.000 0.613 334 N N 0.279 118.922 118.700 -0.094 0.000 2.408 334 N HA 0.278 5.019 4.740 0.002 0.000 0.257 334 N C 1.565 176.959 175.510 -0.195 0.000 1.064 334 N CA -0.505 52.436 53.050 -0.181 0.000 0.952 334 N CB 1.340 39.707 38.487 -0.200 0.000 1.093 334 N HN 0.672 nan 8.380 nan 0.000 0.490 335 L N 4.356 125.477 121.223 -0.170 0.000 2.079 335 L HA -0.140 4.201 4.340 0.002 0.000 0.210 335 L C 1.896 178.670 176.870 -0.161 0.000 1.081 335 L CA 1.908 56.657 54.840 -0.152 0.000 0.752 335 L CB -0.756 41.250 42.059 -0.089 0.000 0.896 335 L HN 0.589 nan 8.230 nan 0.000 0.433 336 T N -0.646 113.816 114.554 -0.153 0.000 2.720 336 T HA -0.178 4.173 4.350 0.002 0.000 0.268 336 T C 1.486 176.115 174.700 -0.118 0.000 1.037 336 T CA 1.546 63.570 62.100 -0.126 0.000 1.144 336 T CB -0.388 68.404 68.868 -0.127 0.000 0.864 336 T HN 0.395 nan 8.240 nan 0.000 0.444 337 D N 0.961 121.269 120.400 -0.154 0.000 2.123 337 D HA -0.037 4.605 4.640 0.002 0.000 0.196 337 D C 2.089 178.227 176.300 -0.270 0.000 0.992 337 D CA 1.021 54.927 54.000 -0.157 0.000 0.833 337 D CB -0.326 40.386 40.800 -0.147 0.000 0.954 337 D HN 0.394 nan 8.370 nan 0.000 0.455 338 M N 0.011 119.338 119.600 -0.455 0.000 2.086 338 M HA -0.145 4.336 4.480 0.002 0.000 0.261 338 M C 2.340 178.438 176.300 -0.336 0.000 1.067 338 M CA 0.978 55.766 55.300 -0.854 0.000 1.116 338 M CB -0.197 31.901 32.600 -0.836 0.000 1.348 338 M HN -0.101 nan 8.290 nan 0.000 0.407 339 V N -0.034 119.813 119.914 -0.113 0.000 2.358 339 V HA -0.258 3.863 4.120 0.002 0.000 0.246 339 V C 2.363 178.597 176.094 0.234 0.000 1.047 339 V CA 1.897 64.249 62.300 0.086 0.000 1.035 339 V CB -0.804 31.053 31.823 0.057 0.000 0.658 339 V HN 0.445 nan 8.190 nan 0.000 0.452 340 R N 0.212 120.818 120.500 0.176 0.000 2.073 340 R HA -0.165 4.176 4.340 0.002 0.000 0.234 340 R C 2.340 178.709 176.300 0.114 0.000 1.134 340 R CA 1.718 57.957 56.100 0.232 0.000 0.952 340 R CB -0.526 29.866 30.300 0.153 0.000 0.850 340 R HN 0.484 nan 8.270 nan 0.000 0.433 341 A N 1.367 124.232 122.820 0.076 0.000 1.940 341 A HA -0.246 4.076 4.320 0.002 0.000 0.219 341 A C 2.090 179.802 177.584 0.213 0.000 1.176 341 A CA 1.870 53.992 52.037 0.142 0.000 0.631 341 A CB -0.557 18.553 19.000 0.183 0.000 0.814 341 A HN 0.536 nan 8.150 nan 0.000 0.446 342 R N -0.570 120.098 120.500 0.279 0.000 2.092 342 R HA -0.088 4.253 4.340 0.002 0.000 0.231 342 R C 2.048 178.384 176.300 0.061 0.000 1.119 342 R CA 1.835 58.086 56.100 0.252 0.000 0.970 342 R CB -0.454 30.035 30.300 0.316 0.000 0.864 342 R HN 0.302 nan 8.270 nan 0.000 0.440 343 R N 0.867 121.353 120.500 -0.024 0.000 2.081 343 R HA 0.067 4.408 4.340 0.002 0.000 0.235 343 R C 2.042 178.212 176.300 -0.217 0.000 1.131 343 R CA 1.800 57.746 56.100 -0.258 0.000 0.960 343 R CB -0.548 29.259 30.300 -0.822 0.000 0.856 343 R HN 0.435 nan 8.270 nan 0.000 0.436 344 I N 0.105 120.597 120.570 -0.131 0.000 2.163 344 I HA -0.316 3.856 4.170 0.002 0.000 0.243 344 I C 2.050 178.107 176.117 -0.099 0.000 1.085 344 I CA 1.317 62.561 61.300 -0.095 0.000 1.347 344 I CB -0.301 37.684 38.000 -0.026 0.000 1.044 344 I HN 0.158 nan 8.210 nan 0.000 0.408 345 L N 0.264 121.449 121.223 -0.063 0.000 2.042 345 L HA -0.253 4.089 4.340 0.002 0.000 0.210 345 L C 2.512 179.293 176.870 -0.150 0.000 1.076 345 L CA 1.579 56.356 54.840 -0.106 0.000 0.749 345 L CB -0.634 41.386 42.059 -0.064 0.000 0.893 345 L HN 0.294 nan 8.230 nan 0.000 0.432 346 E N -0.560 119.566 120.200 -0.123 0.000 2.077 346 E HA -0.185 4.166 4.350 0.002 0.000 0.193 346 E C 2.265 178.771 176.600 -0.156 0.000 0.989 346 E CA 1.270 57.591 56.400 -0.132 0.000 0.800 346 E CB -0.083 29.549 29.700 -0.112 0.000 0.746 346 E HN 0.268 nan 8.360 nan 0.000 0.452 347 V N 1.611 121.426 119.914 -0.164 0.000 2.261 347 V HA -0.283 3.838 4.120 0.002 0.000 0.246 347 V C 2.275 178.252 176.094 -0.195 0.000 1.047 347 V CA 1.646 63.848 62.300 -0.163 0.000 1.015 347 V CB -0.453 31.279 31.823 -0.151 0.000 0.642 347 V HN 0.282 nan 8.190 nan 0.000 0.446 348 I N 0.037 120.466 120.570 -0.235 0.000 2.151 348 I HA -0.329 3.842 4.170 0.002 0.000 0.243 348 I C 2.634 178.496 176.117 -0.425 0.000 1.080 348 I CA 2.332 63.417 61.300 -0.358 0.000 1.339 348 I CB -0.394 37.336 38.000 -0.449 0.000 1.039 348 I HN 0.475 nan 8.210 nan 0.000 0.409 349 E N 1.184 121.173 120.200 -0.352 0.000 2.047 349 E HA -0.209 4.142 4.350 0.002 0.000 0.191 349 E C 2.271 178.741 176.600 -0.217 0.000 0.987 349 E CA 1.240 57.458 56.400 -0.304 0.000 0.799 349 E CB -0.032 29.533 29.700 -0.225 0.000 0.752 349 E HN 0.463 nan 8.360 nan 0.000 0.449 350 A N 0.992 123.705 122.820 -0.177 0.000 1.930 350 A HA -0.140 4.182 4.320 0.002 0.000 0.217 350 A C 1.736 179.244 177.584 -0.127 0.000 1.175 350 A CA 1.404 53.362 52.037 -0.133 0.000 0.627 350 A CB -0.257 18.674 19.000 -0.115 0.000 0.815 350 A HN 0.315 nan 8.150 nan 0.000 0.443 351 E N -1.260 118.851 120.200 -0.149 0.000 2.474 351 E HA 0.278 4.629 4.350 0.002 0.000 0.195 351 E C 0.739 177.258 176.600 -0.134 0.000 1.039 351 E CA 0.142 56.466 56.400 -0.127 0.000 0.881 351 E CB 0.050 29.678 29.700 -0.120 0.000 0.970 351 E HN 0.665 nan 8.360 nan 0.000 0.486 352 G N 2.174 110.870 108.800 -0.172 0.000 2.323 352 G HA2 -0.291 3.670 3.960 0.002 0.000 0.292 352 G HA3 -0.291 3.670 3.960 0.002 0.000 0.292 352 G C 0.716 175.521 174.900 -0.158 0.000 1.040 352 G CA 0.211 45.212 45.100 -0.164 0.000 0.942 352 G HN 0.299 nan 8.290 nan 0.000 0.506 353 L N -1.348 119.733 121.223 -0.236 0.000 2.201 353 L HA -0.008 4.334 4.340 0.002 0.000 0.212 353 L C 2.705 179.569 176.870 -0.010 0.000 1.105 353 L CA 0.783 55.529 54.840 -0.156 0.000 0.775 353 L CB -0.444 41.510 42.059 -0.176 0.000 0.913 353 L HN 0.329 nan 8.230 nan 0.000 0.440 354 F N 0.603 120.488 119.950 -0.107 0.000 2.134 354 F HA -0.208 4.321 4.527 0.002 0.000 0.299 354 F C 2.664 178.422 175.800 -0.069 0.000 1.097 354 F CA 1.320 59.257 58.000 -0.105 0.000 1.264 354 F CB -0.911 38.013 39.000 -0.125 0.000 1.001 354 F HN 0.094 nan 8.300 nan 0.000 0.479 355 E N 0.626 120.903 120.200 0.129 0.000 2.106 355 E HA -0.181 4.170 4.350 0.002 0.000 0.192 355 E C 2.360 178.999 176.600 0.066 0.000 0.984 355 E CA 1.083 57.526 56.400 0.072 0.000 0.806 355 E CB -0.281 29.442 29.700 0.038 0.000 0.750 355 E HN 0.247 nan 8.360 nan 0.000 0.458 356 R N -0.420 120.101 120.500 0.035 0.000 2.081 356 R HA -0.081 4.260 4.340 0.002 0.000 0.235 356 R C 2.180 178.508 176.300 0.047 0.000 1.131 356 R CA 1.358 57.471 56.100 0.021 0.000 0.960 356 R CB -0.363 29.871 30.300 -0.110 0.000 0.856 356 R HN 0.233 nan 8.270 nan 0.000 0.436 357 A N 0.080 122.921 122.820 0.036 0.000 1.908 357 A HA -0.130 4.191 4.320 0.002 0.000 0.218 357 A C 2.231 179.867 177.584 0.086 0.000 1.181 357 A CA 1.671 53.741 52.037 0.055 0.000 0.627 357 A CB -0.593 18.438 19.000 0.052 0.000 0.818 357 A HN 0.216 nan 8.150 nan 0.000 0.445 358 V N -0.032 119.928 119.914 0.078 0.000 2.255 358 V HA -0.287 3.834 4.120 0.002 0.000 0.247 358 V C 2.782 178.931 176.094 0.092 0.000 1.051 358 V CA 2.176 64.517 62.300 0.068 0.000 1.018 358 V CB -0.754 31.099 31.823 0.050 0.000 0.641 358 V HN 0.554 nan 8.190 nan 0.000 0.445 359 Q N -0.908 118.965 119.800 0.122 0.000 2.083 359 Q HA -0.121 4.221 4.340 0.002 0.000 0.198 359 Q C 2.184 178.252 176.000 0.113 0.000 0.969 359 Q CA 1.567 57.437 55.803 0.111 0.000 0.838 359 Q CB -0.468 28.337 28.738 0.111 0.000 0.900 359 Q HN 0.752 nan 8.270 nan 0.000 0.436 360 H N -0.963 118.129 119.070 0.036 0.000 2.436 360 H HA 0.025 4.582 4.556 0.002 0.000 0.294 360 H C 1.949 177.330 175.328 0.089 0.000 1.048 360 H CA 0.829 56.907 56.048 0.050 0.000 1.353 360 H CB 0.183 29.945 29.762 0.001 0.000 1.414 360 H HN 0.331 nan 8.280 nan 0.000 0.536 361 G N 1.349 110.255 108.800 0.177 0.000 2.418 361 G HA2 -0.244 3.717 3.960 0.002 0.000 0.217 361 G HA3 -0.244 3.717 3.960 0.002 0.000 0.217 361 G C 1.724 176.672 174.900 0.079 0.000 1.158 361 G CA 0.416 45.581 45.100 0.109 0.000 0.771 361 G HN 0.296 nan 8.290 nan 0.000 0.545 362 K N -0.888 119.558 120.400 0.078 0.000 2.057 362 K HA -0.095 4.226 4.320 0.002 0.000 0.207 362 K C 2.142 178.765 176.600 0.037 0.000 1.049 362 K CA 1.154 57.468 56.287 0.045 0.000 0.931 362 K CB -0.327 32.199 32.500 0.043 0.000 0.714 362 K HN 0.401 nan 8.250 nan 0.000 0.440 363 Y N 1.439 121.706 120.300 -0.055 0.000 2.097 363 Y HA -0.284 4.267 4.550 0.002 0.000 0.282 363 Y C 2.123 177.980 175.900 -0.072 0.000 1.152 363 Y CA 1.417 59.469 58.100 -0.080 0.000 1.136 363 Y CB -0.341 38.039 38.460 -0.134 0.000 0.975 363 Y HN -0.019 nan 8.280 nan 0.000 0.498 364 L N 0.889 122.166 121.223 0.091 0.000 2.042 364 L HA -0.200 4.141 4.340 0.002 0.000 0.210 364 L C 2.456 179.247 176.870 -0.132 0.000 1.076 364 L CA 2.254 57.072 54.840 -0.036 0.000 0.749 364 L CB -0.976 41.071 42.059 -0.020 0.000 0.893 364 L HN 0.225 nan 8.230 nan 0.000 0.432 365 R N 0.073 120.524 120.500 -0.081 0.000 2.081 365 R HA -0.051 4.290 4.340 0.002 0.000 0.235 365 R C 2.172 178.404 176.300 -0.114 0.000 1.131 365 R CA 1.666 57.718 56.100 -0.079 0.000 0.960 365 R CB -0.899 29.377 30.300 -0.039 0.000 0.856 365 R HN 0.475 nan 8.270 nan 0.000 0.436 366 A N 0.755 123.485 122.820 -0.149 0.000 1.908 366 A HA -0.150 4.171 4.320 0.002 0.000 0.218 366 A C 2.010 179.464 177.584 -0.215 0.000 1.181 366 A CA 1.536 53.465 52.037 -0.180 0.000 0.627 366 A CB -0.455 18.413 19.000 -0.220 0.000 0.818 366 A HN 0.218 nan 8.150 nan 0.000 0.445 367 R N -0.235 120.094 120.500 -0.285 0.000 2.115 367 R HA 0.023 4.365 4.340 0.002 0.000 0.230 367 R C 1.977 178.172 176.300 -0.174 0.000 1.111 367 R CA 0.987 56.941 56.100 -0.244 0.000 0.976 367 R CB -1.099 29.045 30.300 -0.260 0.000 0.870 367 R HN 0.614 nan 8.270 nan 0.000 0.445 368 L N 0.513 121.637 121.223 -0.166 0.000 2.109 368 L HA -0.135 4.207 4.340 0.002 0.000 0.207 368 L C 1.712 178.512 176.870 -0.117 0.000 1.086 368 L CA 1.058 55.811 54.840 -0.144 0.000 0.760 368 L CB -0.425 41.584 42.059 -0.085 0.000 0.910 368 L HN 0.055 nan 8.230 nan 0.000 0.437 369 D N 0.379 120.721 120.400 -0.096 0.000 2.097 369 D HA -0.190 4.451 4.640 0.002 0.000 0.195 369 D C 2.067 178.323 176.300 -0.073 0.000 0.989 369 D CA 1.220 55.175 54.000 -0.074 0.000 0.827 369 D CB -0.061 40.697 40.800 -0.071 0.000 0.966 369 D HN 0.365 nan 8.370 nan 0.000 0.456 370 E N 0.413 120.560 120.200 -0.087 0.000 2.058 370 E HA -0.154 4.197 4.350 0.002 0.000 0.194 370 E C 2.396 178.972 176.600 -0.040 0.000 0.997 370 E CA 0.425 56.783 56.400 -0.071 0.000 0.801 370 E CB -0.144 29.505 29.700 -0.085 0.000 0.746 370 E HN 0.253 nan 8.360 nan 0.000 0.450 371 L N 0.427 121.622 121.223 -0.046 0.000 2.042 371 L HA -0.227 4.114 4.340 0.002 0.000 0.210 371 L C 2.547 179.445 176.870 0.047 0.000 1.076 371 L CA 1.151 55.999 54.840 0.012 0.000 0.749 371 L CB -0.446 41.518 42.059 -0.158 0.000 0.893 371 L HN 0.186 nan 8.230 nan 0.000 0.432 372 A N -0.401 122.392 122.820 -0.045 0.000 1.933 372 A HA -0.161 4.161 4.320 0.002 0.000 0.218 372 A C 2.471 180.054 177.584 -0.001 0.000 1.175 372 A CA 1.597 53.621 52.037 -0.022 0.000 0.628 372 A CB -0.585 18.393 19.000 -0.037 0.000 0.814 372 A HN 0.457 nan 8.150 nan 0.000 0.444 373 A N 0.019 122.824 122.820 -0.025 0.000 1.902 373 A HA -0.177 4.144 4.320 0.002 0.000 0.217 373 A C 1.753 179.289 177.584 -0.081 0.000 1.181 373 A CA 1.894 53.904 52.037 -0.045 0.000 0.623 373 A CB -0.498 18.470 19.000 -0.053 0.000 0.818 373 A HN 0.447 nan 8.150 nan 0.000 0.443 374 D N -1.388 118.949 120.400 -0.104 0.000 2.194 374 D HA 0.024 4.665 4.640 0.002 0.000 0.204 374 D C -0.229 175.738 176.300 -0.556 0.000 0.964 374 D CA 0.882 54.687 54.000 -0.326 0.000 0.846 374 D CB -0.092 40.484 40.800 -0.373 0.000 0.962 374 D HN 0.454 nan 8.370 nan 0.000 0.490 375 F N -0.292 119.620 119.950 -0.064 0.000 2.530 375 F HA 0.297 4.825 4.527 0.002 0.000 0.318 375 F C -1.767 174.006 175.800 -0.045 0.000 1.356 375 F CA -1.875 56.093 58.000 -0.052 0.000 1.135 375 F CB 1.629 40.590 39.000 -0.065 0.000 1.315 375 F HN -0.174 nan 8.300 nan 0.000 0.549 376 P HA -0.154 nan 4.420 nan 0.000 0.220 376 P C 1.389 178.722 177.300 0.055 0.000 1.148 376 P CA 1.146 64.270 63.100 0.040 0.000 0.803 376 P CB 0.340 32.043 31.700 0.004 0.000 0.782 377 A N -1.585 121.277 122.820 0.069 0.000 2.275 377 A HA 0.162 4.484 4.320 0.002 0.000 0.212 377 A C 1.740 179.373 177.584 0.080 0.000 1.201 377 A CA 0.591 52.667 52.037 0.065 0.000 0.843 377 A CB -0.523 18.510 19.000 0.054 0.000 0.873 377 A HN 0.054 nan 8.150 nan 0.000 0.492 378 V N -1.523 118.453 119.914 0.103 0.000 2.996 378 V HA 0.082 4.204 4.120 0.002 0.000 0.235 378 V C 0.590 176.737 176.094 0.089 0.000 1.205 378 V CA 0.422 62.780 62.300 0.097 0.000 1.225 378 V CB 0.387 32.272 31.823 0.103 0.000 0.995 378 V HN 0.066 nan 8.190 nan 0.000 0.484 379 V N 3.923 123.865 119.914 0.046 0.000 2.339 379 V HA 0.347 4.468 4.120 0.002 0.000 0.261 379 V C -0.338 175.785 176.094 0.049 0.000 1.058 379 V CA 0.083 62.356 62.300 -0.045 0.000 0.897 379 V CB 0.377 32.024 31.823 -0.294 0.000 1.052 379 V HN 0.244 nan 8.190 nan 0.000 0.480 380 L N 3.699 125.016 121.223 0.158 0.000 2.322 380 L HA 0.565 4.906 4.340 0.002 0.000 0.279 380 L C 0.541 177.505 176.870 0.155 0.000 1.036 380 L CA -0.693 54.225 54.840 0.130 0.000 0.807 380 L CB 1.022 43.152 42.059 0.118 0.000 1.226 380 L HN 0.579 nan 8.230 nan 0.000 0.433 381 D N 1.585 122.045 120.400 0.101 0.000 2.737 381 D HA -0.110 4.531 4.640 0.002 0.000 0.238 381 D C -2.242 174.126 176.300 0.113 0.000 1.157 381 D CA -0.054 54.000 54.000 0.089 0.000 0.694 381 D CB -0.206 40.647 40.800 0.089 0.000 1.021 381 D HN 0.172 nan 8.370 nan 0.000 0.420 382 P HA 0.147 nan 4.420 nan 0.000 0.268 382 P C -0.054 177.270 177.300 0.040 0.000 1.204 382 P CA 0.272 63.438 63.100 0.110 0.000 0.768 382 P CB 0.674 32.398 31.700 0.040 0.000 0.842 383 R N 1.106 121.629 120.500 0.038 0.000 2.690 383 R HA 0.846 5.187 4.340 0.002 0.000 0.269 383 R C -1.195 175.068 176.300 -0.062 0.000 1.037 383 R CA -0.962 55.086 56.100 -0.086 0.000 0.877 383 R CB 1.222 31.429 30.300 -0.155 0.000 1.255 383 R HN 0.615 nan 8.270 nan 0.000 0.467 384 G N 0.770 109.455 108.800 -0.192 0.000 2.340 384 G HA2 0.370 4.332 3.960 0.002 0.000 0.298 384 G HA3 0.370 4.332 3.960 0.002 0.000 0.298 384 G C -2.021 172.917 174.900 0.063 0.000 1.498 384 G CA -1.026 44.090 45.100 0.026 0.000 0.847 384 G HN 0.639 nan 8.290 nan 0.000 0.594 385 R N 0.409 121.037 120.500 0.213 0.000 2.514 385 R HA 0.591 4.932 4.340 0.002 0.000 0.296 385 R C 0.912 177.274 176.300 0.103 0.000 1.012 385 R CA 0.902 57.093 56.100 0.153 0.000 0.897 385 R CB 1.200 31.631 30.300 0.219 0.000 1.184 385 R HN 2.431 nan 8.270 nan 0.000 0.440 386 G N 2.776 111.616 108.800 0.066 0.000 2.574 386 G HA2 -0.331 3.630 3.960 0.002 0.000 0.286 386 G HA3 -0.331 3.630 3.960 0.002 0.000 0.286 386 G C 0.059 175.002 174.900 0.072 0.000 1.212 386 G CA 0.023 45.156 45.100 0.055 0.000 0.979 386 G HN 0.453 nan 8.290 nan 0.000 0.557 387 L N 0.585 121.849 121.223 0.069 0.000 2.599 387 L HA 0.373 4.714 4.340 0.002 0.000 0.230 387 L C 1.928 178.859 176.870 0.102 0.000 1.141 387 L CA 0.768 55.657 54.840 0.082 0.000 0.877 387 L CB -0.715 41.384 42.059 0.068 0.000 1.009 387 L HN 0.579 nan 8.230 nan 0.000 0.447 388 M N 0.047 119.709 119.600 0.104 0.000 2.497 388 M HA 0.175 4.657 4.480 0.002 0.000 0.336 388 M C -0.989 175.418 176.300 0.177 0.000 1.378 388 M CA 0.138 55.513 55.300 0.126 0.000 1.375 388 M CB -0.051 32.607 32.600 0.097 0.000 1.337 388 M HN 0.095 nan 8.290 nan 0.000 0.461 389 C N 3.253 122.675 119.300 0.203 0.000 2.971 389 C HA 1.022 5.484 4.460 0.002 0.000 0.310 389 C C -0.294 174.891 174.990 0.324 0.000 1.285 389 C CA -0.611 58.538 59.018 0.219 0.000 1.593 389 C CB 1.734 29.550 27.740 0.127 0.000 2.076 389 C HN 0.896 nan 8.230 nan 0.000 0.472 390 A N 0.933 123.933 122.820 0.299 0.000 2.601 390 A HA 0.967 5.288 4.320 0.002 0.000 0.291 390 A C -1.388 176.381 177.584 0.309 0.000 1.075 390 A CA -0.436 51.758 52.037 0.262 0.000 0.671 390 A CB 1.032 20.100 19.000 0.114 0.000 1.277 390 A HN 1.471 nan 8.150 nan 0.000 0.417 391 F N -1.171 118.880 119.950 0.169 0.000 2.685 391 F HA 0.905 5.434 4.527 0.002 0.000 0.315 391 F C -0.322 175.516 175.800 0.064 0.000 1.126 391 F CA -0.790 57.270 58.000 0.099 0.000 0.950 391 F CB 1.185 40.247 39.000 0.103 0.000 1.360 391 F HN 0.473 nan 8.300 nan 0.000 0.469 392 S N 0.863 116.723 115.700 0.267 0.000 2.638 392 S HA 0.831 5.303 4.470 0.002 0.000 0.302 392 S C -1.084 173.660 174.600 0.240 0.000 1.096 392 S CA -0.661 57.609 58.200 0.117 0.000 0.953 392 S CB 1.987 65.233 63.200 0.077 0.000 1.107 392 S HN 0.587 nan 8.310 nan 0.000 0.503 393 L N 1.686 122.984 121.223 0.125 0.000 2.313 393 L HA 0.481 4.822 4.340 0.002 0.000 0.268 393 L C -1.746 175.173 176.870 0.081 0.000 1.010 393 L CA -2.001 52.917 54.840 0.129 0.000 0.814 393 L CB 0.863 42.980 42.059 0.098 0.000 1.304 393 L HN 0.381 nan 8.230 nan 0.000 0.441 394 P HA -0.084 nan 4.420 nan 0.000 0.215 394 P C -0.152 177.173 177.300 0.041 0.000 1.153 394 P CA 1.125 64.259 63.100 0.055 0.000 0.853 394 P CB 0.076 31.808 31.700 0.052 0.000 0.788 395 T N -7.059 107.516 114.554 0.034 0.000 2.883 395 T HA 0.356 4.707 4.350 0.002 0.000 0.296 395 T C 0.992 175.700 174.700 0.014 0.000 1.117 395 T CA -0.013 62.100 62.100 0.023 0.000 1.006 395 T CB 1.236 70.117 68.868 0.021 0.000 1.191 395 T HN -0.059 nan 8.240 nan 0.000 0.508 396 T N -0.435 114.122 114.554 0.006 0.000 2.915 396 T HA 0.010 4.361 4.350 0.002 0.000 0.269 396 T C 2.196 176.892 174.700 -0.007 0.000 1.071 396 T CA 1.516 63.613 62.100 -0.006 0.000 1.132 396 T CB -0.914 67.949 68.868 -0.009 0.000 0.878 396 T HN 0.880 nan 8.240 nan 0.000 0.479 397 A N 1.768 124.589 122.820 0.001 0.000 1.898 397 A HA -0.050 4.271 4.320 0.002 0.000 0.216 397 A C 2.208 179.795 177.584 0.004 0.000 1.181 397 A CA 1.760 53.798 52.037 0.001 0.000 0.620 397 A CB -0.756 18.247 19.000 0.005 0.000 0.819 397 A HN 0.561 nan 8.150 nan 0.000 0.442 398 D N -0.560 119.847 120.400 0.012 0.000 2.097 398 D HA -0.157 4.484 4.640 0.002 0.000 0.195 398 D C 2.114 178.422 176.300 0.014 0.000 0.989 398 D CA 1.038 55.050 54.000 0.020 0.000 0.827 398 D CB -0.374 40.447 40.800 0.034 0.000 0.966 398 D HN 0.256 nan 8.370 nan 0.000 0.456 399 R N 1.109 121.610 120.500 0.001 0.000 2.083 399 R HA -0.151 4.190 4.340 0.002 0.000 0.237 399 R C 1.349 177.626 176.300 -0.039 0.000 1.137 399 R CA 1.499 57.582 56.100 -0.029 0.000 0.951 399 R CB -0.532 29.737 30.300 -0.051 0.000 0.851 399 R HN 0.112 nan 8.270 nan 0.000 0.434 400 D N 0.217 120.597 120.400 -0.032 0.000 2.117 400 D HA -0.160 4.481 4.640 0.002 0.000 0.197 400 D C 1.843 178.131 176.300 -0.021 0.000 0.987 400 D CA 1.187 55.166 54.000 -0.036 0.000 0.829 400 D CB -0.191 40.589 40.800 -0.033 0.000 0.961 400 D HN 0.274 nan 8.370 nan 0.000 0.460 401 E N 0.399 120.595 120.200 -0.006 0.000 2.072 401 E HA -0.109 4.243 4.350 0.002 0.000 0.191 401 E C 1.955 178.566 176.600 0.018 0.000 0.985 401 E CA 0.336 56.741 56.400 0.008 0.000 0.801 401 E CB -0.414 29.294 29.700 0.013 0.000 0.750 401 E HN 0.172 nan 8.360 nan 0.000 0.452 402 L N 0.426 121.658 121.223 0.016 0.000 2.042 402 L HA -0.133 4.208 4.340 0.002 0.000 0.210 402 L C 2.165 179.050 176.870 0.026 0.000 1.076 402 L CA 1.700 56.556 54.840 0.027 0.000 0.749 402 L CB -0.425 41.660 42.059 0.044 0.000 0.893 402 L HN 0.261 nan 8.230 nan 0.000 0.432 403 I N -0.894 119.674 120.570 -0.003 0.000 2.179 403 I HA -0.310 3.861 4.170 0.002 0.000 0.242 403 I C 2.652 178.810 176.117 0.068 0.000 1.088 403 I CA 1.304 62.605 61.300 0.000 0.000 1.357 403 I CB -0.399 37.568 38.000 -0.055 0.000 1.051 403 I HN 0.275 nan 8.210 nan 0.000 0.409 404 R N 0.357 120.889 120.500 0.052 0.000 2.091 404 R HA -0.185 4.156 4.340 0.002 0.000 0.238 404 R C 2.350 178.741 176.300 0.151 0.000 1.136 404 R CA 1.184 57.344 56.100 0.101 0.000 0.959 404 R CB -0.318 30.011 30.300 0.049 0.000 0.856 404 R HN 0.414 nan 8.270 nan 0.000 0.437 405 Q N 0.304 120.161 119.800 0.095 0.000 2.124 405 Q HA -0.123 4.218 4.340 0.002 0.000 0.202 405 Q C 2.103 178.156 176.000 0.089 0.000 0.977 405 Q CA 1.095 56.947 55.803 0.081 0.000 0.850 405 Q CB -0.136 28.632 28.738 0.050 0.000 0.901 405 Q HN 0.214 nan 8.270 nan 0.000 0.429 406 L N -0.368 120.918 121.223 0.105 0.000 2.109 406 L HA -0.110 4.232 4.340 0.002 0.000 0.207 406 L C 1.977 178.926 176.870 0.131 0.000 1.086 406 L CA 1.286 56.187 54.840 0.100 0.000 0.760 406 L CB -1.335 40.780 42.059 0.094 0.000 0.910 406 L HN 0.435 nan 8.230 nan 0.000 0.437 407 W N 0.838 122.157 121.300 0.033 0.000 2.335 407 W HA -0.267 4.394 4.660 0.002 0.000 0.311 407 W C 2.209 178.790 176.519 0.104 0.000 1.213 407 W CA 1.631 59.023 57.345 0.077 0.000 1.274 407 W CB -0.169 29.310 29.460 0.031 0.000 1.148 407 W HN 0.331 nan 8.180 nan 0.000 0.498 408 Q N -0.040 119.820 119.800 0.100 0.000 2.181 408 Q HA -0.202 4.139 4.340 0.002 0.000 0.205 408 Q C 1.933 177.868 176.000 -0.108 0.000 0.980 408 Q CA 1.500 57.300 55.803 -0.005 0.000 0.862 408 Q CB -0.319 28.462 28.738 0.071 0.000 0.905 408 Q HN 0.284 nan 8.270 nan 0.000 0.429 409 R N -0.288 120.162 120.500 -0.085 0.000 2.335 409 R HA 0.239 4.580 4.340 0.002 0.000 0.223 409 R C 0.376 176.557 176.300 -0.197 0.000 0.940 409 R CA 0.442 56.476 56.100 -0.110 0.000 1.086 409 R CB 0.378 30.655 30.300 -0.037 0.000 1.073 409 R HN 0.179 nan 8.270 nan 0.000 0.504 410 A N 0.061 122.670 122.820 -0.351 0.000 2.869 410 A HA -0.147 4.174 4.320 0.002 0.000 0.280 410 A C -0.073 177.405 177.584 -0.178 0.000 1.458 410 A CA 0.624 52.323 52.037 -0.563 0.000 0.776 410 A CB -1.878 16.609 19.000 -0.856 0.000 1.028 410 A HN 0.106 nan 8.150 nan 0.000 0.547 411 V N 0.657 120.555 119.914 -0.028 0.000 2.444 411 V HA 0.554 4.675 4.120 0.002 0.000 0.294 411 V C 0.225 176.403 176.094 0.140 0.000 1.022 411 V CA -0.342 61.997 62.300 0.065 0.000 0.850 411 V CB 1.802 33.666 31.823 0.069 0.000 0.992 411 V HN 0.424 nan 8.190 nan 0.000 0.426 412 I N 6.262 126.924 120.570 0.153 0.000 2.312 412 I HA 0.611 4.783 4.170 0.002 0.000 0.290 412 I C -0.105 176.058 176.117 0.076 0.000 1.008 412 I CA -0.568 60.828 61.300 0.160 0.000 1.226 412 I CB 1.455 39.538 38.000 0.139 0.000 1.371 412 I HN 0.528 nan 8.210 nan 0.000 0.468 413 V N 4.645 124.558 119.914 -0.001 0.000 3.141 413 V HA 0.644 4.765 4.120 0.002 0.000 0.312 413 V C -0.827 175.204 176.094 -0.105 0.000 1.157 413 V CA -0.938 61.295 62.300 -0.111 0.000 1.041 413 V CB 2.342 33.968 31.823 -0.328 0.000 1.071 413 V HN 0.544 nan 8.190 nan 0.000 0.441 414 L N 2.545 123.698 121.223 -0.117 0.000 2.334 414 L HA 0.654 4.995 4.340 0.002 0.000 0.273 414 L C -2.331 174.447 176.870 -0.152 0.000 1.013 414 L CA -1.909 52.878 54.840 -0.089 0.000 0.816 414 L CB 2.885 44.950 42.059 0.011 0.000 1.278 414 L HN 0.561 nan 8.230 nan 0.000 0.431 415 P HA 0.384 nan 4.420 nan 0.000 0.276 415 P C -1.477 175.750 177.300 -0.122 0.000 1.252 415 P CA -0.383 62.634 63.100 -0.140 0.000 0.802 415 P CB 1.696 33.328 31.700 -0.114 0.000 1.035 416 A N -0.067 122.681 122.820 -0.121 0.000 2.547 416 A HA 0.687 5.008 4.320 0.002 0.000 0.297 416 A C 0.157 177.688 177.584 -0.089 0.000 1.056 416 A CA -0.049 51.925 52.037 -0.105 0.000 0.688 416 A CB 0.897 19.833 19.000 -0.106 0.000 1.282 416 A HN 0.871 nan 8.150 nan 0.000 0.400 417 G N 0.447 109.206 108.800 -0.069 0.000 2.578 417 G HA2 0.156 4.117 3.960 0.002 0.000 0.275 417 G HA3 0.156 4.117 3.960 0.002 0.000 0.275 417 G C 1.222 176.098 174.900 -0.039 0.000 1.271 417 G CA 1.166 46.237 45.100 -0.048 0.000 0.941 417 G HN 2.318 nan 8.290 nan 0.000 0.564 418 A N -0.984 121.820 122.820 -0.027 0.000 1.970 418 A HA 0.357 4.678 4.320 0.002 0.000 0.216 418 A C 1.617 179.185 177.584 -0.026 0.000 1.170 418 A CA 2.396 54.423 52.037 -0.017 0.000 0.645 418 A CB -0.155 18.845 19.000 0.000 0.000 0.816 418 A HN 1.578 nan 8.150 nan 0.000 0.447 419 D N -3.304 117.074 120.400 -0.036 0.000 2.615 419 D HA 0.143 4.784 4.640 0.002 0.000 0.274 419 D C -0.164 176.094 176.300 -0.070 0.000 1.512 419 D CA -0.026 53.952 54.000 -0.036 0.000 0.803 419 D CB -0.710 40.089 40.800 -0.002 0.000 1.182 419 D HN -0.002 nan 8.370 nan 0.000 0.473 420 T N 0.357 114.849 114.554 -0.104 0.000 2.867 420 T HA 0.568 4.919 4.350 0.002 0.000 0.282 420 T C -0.246 174.306 174.700 -0.247 0.000 1.000 420 T CA -0.512 61.490 62.100 -0.162 0.000 1.042 420 T CB 2.222 71.016 68.868 -0.123 0.000 0.973 420 T HN -0.101 nan 8.240 nan 0.000 0.465 421 V N 5.009 124.670 119.914 -0.421 0.000 2.384 421 V HA 0.486 4.608 4.120 0.002 0.000 0.287 421 V C 0.287 176.103 176.094 -0.463 0.000 1.020 421 V CA -0.928 61.061 62.300 -0.518 0.000 0.850 421 V CB 1.167 32.506 31.823 -0.807 0.000 0.987 421 V HN 0.787 nan 8.190 nan 0.000 0.436 422 R N 3.663 123.947 120.500 -0.359 0.000 2.532 422 R HA 0.646 4.987 4.340 0.002 0.000 0.295 422 R C -1.647 174.440 176.300 -0.356 0.000 0.968 422 R CA -0.522 55.451 56.100 -0.211 0.000 0.916 422 R CB 1.425 31.668 30.300 -0.095 0.000 1.124 422 R HN 0.374 nan 8.270 nan 0.000 0.463 423 F N 1.734 121.687 119.950 0.005 0.000 2.415 423 F HA 0.449 4.978 4.527 0.002 0.000 0.348 423 F C 0.618 176.436 175.800 0.030 0.000 1.119 423 F CA -0.888 57.133 58.000 0.034 0.000 1.069 423 F CB 1.476 40.512 39.000 0.061 0.000 1.124 423 F HN 0.272 nan 8.300 nan 0.000 0.472 424 R N 3.415 124.002 120.500 0.145 0.000 2.629 424 R HA 0.294 4.635 4.340 0.002 0.000 0.277 424 R C -2.980 173.353 176.300 0.055 0.000 1.637 424 R CA -1.834 54.314 56.100 0.079 0.000 1.663 424 R CB 0.549 30.858 30.300 0.015 0.000 1.228 424 R HN 0.287 nan 8.270 nan 0.000 0.632 425 P HA 0.275 nan 4.420 nan 0.000 0.276 425 P C -2.475 174.821 177.300 -0.006 0.000 1.252 425 P CA -1.600 61.525 63.100 0.041 0.000 0.802 425 P CB 0.147 31.889 31.700 0.070 0.000 1.035 426 P HA 0.156 nan 4.420 nan 0.000 0.272 426 P C 1.129 178.403 177.300 -0.043 0.000 1.240 426 P CA -0.124 62.948 63.100 -0.046 0.000 0.791 426 P CB 0.623 32.287 31.700 -0.061 0.000 0.978 427 L N 0.564 121.761 121.223 -0.043 0.000 2.353 427 L HA -0.114 4.227 4.340 0.002 0.000 0.220 427 L C 1.900 178.699 176.870 -0.117 0.000 1.133 427 L CA 1.891 56.697 54.840 -0.056 0.000 0.798 427 L CB -1.233 40.807 42.059 -0.032 0.000 0.922 427 L HN 0.499 nan 8.230 nan 0.000 0.445 428 T N -3.881 110.609 114.554 -0.107 0.000 3.107 428 T HA 0.116 4.467 4.350 0.002 0.000 0.249 428 T C 0.731 175.351 174.700 -0.132 0.000 1.096 428 T CA -0.302 61.721 62.100 -0.129 0.000 1.012 428 T CB -0.218 68.602 68.868 -0.080 0.000 0.977 428 T HN 0.008 nan 8.240 nan 0.000 0.527 429 V N 3.982 123.830 119.914 -0.112 0.000 2.843 429 V HA 0.249 4.370 4.120 0.002 0.000 0.305 429 V C 0.669 176.731 176.094 -0.052 0.000 1.120 429 V CA 0.152 62.417 62.300 -0.058 0.000 1.254 429 V CB 0.422 32.239 31.823 -0.010 0.000 0.901 429 V HN 0.823 nan 8.190 nan 0.000 0.503 430 S N 3.386 119.107 115.700 0.034 0.000 2.713 430 S HA 0.329 4.801 4.470 0.002 0.000 0.283 430 S C 1.257 175.914 174.600 0.095 0.000 1.161 430 S CA 0.048 58.313 58.200 0.107 0.000 0.999 430 S CB 1.500 64.737 63.200 0.061 0.000 1.039 430 S HN 1.096 nan 8.310 nan 0.000 0.548 431 T N -1.475 113.050 114.554 -0.048 0.000 2.867 431 T HA -0.010 4.341 4.350 0.002 0.000 0.268 431 T C 1.943 176.564 174.700 -0.133 0.000 1.057 431 T CA 0.956 62.846 62.100 -0.351 0.000 1.136 431 T CB -0.951 67.371 68.868 -0.910 0.000 0.874 431 T HN 0.881 nan 8.240 nan 0.000 0.466 432 A N 1.863 124.654 122.820 -0.048 0.000 1.933 432 A HA -0.061 4.260 4.320 0.002 0.000 0.218 432 A C 2.281 179.905 177.584 0.066 0.000 1.175 432 A CA 1.578 53.627 52.037 0.021 0.000 0.628 432 A CB -0.659 18.357 19.000 0.028 0.000 0.814 432 A HN 0.651 nan 8.150 nan 0.000 0.444 433 E N -0.359 119.885 120.200 0.073 0.000 2.072 433 E HA -0.115 4.236 4.350 0.002 0.000 0.191 433 E C 1.810 178.457 176.600 0.078 0.000 0.985 433 E CA 1.130 57.579 56.400 0.080 0.000 0.801 433 E CB -0.253 29.475 29.700 0.047 0.000 0.750 433 E HN 0.692 nan 8.360 nan 0.000 0.452 434 I N 1.504 122.128 120.570 0.090 0.000 2.226 434 I HA -0.271 3.900 4.170 0.002 0.000 0.245 434 I C 1.752 177.946 176.117 0.129 0.000 1.100 434 I CA 0.997 62.367 61.300 0.117 0.000 1.374 434 I CB -0.168 37.942 38.000 0.183 0.000 1.057 434 I HN 0.051 nan 8.210 nan 0.000 0.413 435 D N 1.056 121.547 120.400 0.152 0.000 2.123 435 D HA -0.175 4.467 4.640 0.002 0.000 0.196 435 D C 2.275 178.631 176.300 0.093 0.000 0.992 435 D CA 1.640 55.719 54.000 0.131 0.000 0.833 435 D CB -0.247 40.629 40.800 0.126 0.000 0.954 435 D HN 0.362 nan 8.370 nan 0.000 0.455 436 A N 1.032 123.907 122.820 0.092 0.000 1.933 436 A HA -0.073 4.248 4.320 0.002 0.000 0.218 436 A C 2.318 179.957 177.584 0.093 0.000 1.175 436 A CA 2.287 54.376 52.037 0.088 0.000 0.628 436 A CB -0.661 18.402 19.000 0.104 0.000 0.814 436 A HN 0.247 nan 8.150 nan 0.000 0.444 437 A N -0.050 122.836 122.820 0.110 0.000 1.898 437 A HA -0.033 4.288 4.320 0.002 0.000 0.216 437 A C 2.001 179.681 177.584 0.160 0.000 1.181 437 A CA 1.560 53.692 52.037 0.158 0.000 0.620 437 A CB -0.451 18.686 19.000 0.228 0.000 0.819 437 A HN 0.405 nan 8.150 nan 0.000 0.442 438 I N 0.084 120.716 120.570 0.102 0.000 2.252 438 I HA -0.220 3.951 4.170 0.002 0.000 0.245 438 I C 2.938 179.091 176.117 0.061 0.000 1.102 438 I CA 1.373 62.711 61.300 0.064 0.000 1.385 438 I CB -1.657 36.348 38.000 0.008 0.000 1.064 438 I HN 0.362 nan 8.210 nan 0.000 0.414 439 A N 1.106 123.963 122.820 0.062 0.000 1.908 439 A HA -0.170 4.152 4.320 0.002 0.000 0.218 439 A C 2.588 180.202 177.584 0.051 0.000 1.181 439 A CA 2.206 54.275 52.037 0.053 0.000 0.627 439 A CB -0.782 18.248 19.000 0.051 0.000 0.818 439 A HN 0.423 nan 8.150 nan 0.000 0.445 440 A N -0.701 122.156 122.820 0.062 0.000 1.902 440 A HA 0.026 4.348 4.320 0.002 0.000 0.217 440 A C 2.237 179.855 177.584 0.056 0.000 1.181 440 A CA 1.734 53.805 52.037 0.056 0.000 0.623 440 A CB -0.903 18.136 19.000 0.065 0.000 0.818 440 A HN 0.393 nan 8.150 nan 0.000 0.443 441 V N -0.052 119.912 119.914 0.083 0.000 2.295 441 V HA -0.281 3.840 4.120 0.002 0.000 0.246 441 V C 2.620 178.681 176.094 -0.056 0.000 1.049 441 V CA 2.282 64.621 62.300 0.065 0.000 1.024 441 V CB -0.828 31.085 31.823 0.150 0.000 0.648 441 V HN 0.526 nan 8.190 nan 0.000 0.447 442 R N -0.073 120.402 120.500 -0.042 0.000 2.103 442 R HA -0.165 4.177 4.340 0.002 0.000 0.242 442 R C 2.596 178.892 176.300 -0.007 0.000 1.142 442 R CA 1.851 57.928 56.100 -0.038 0.000 0.960 442 R CB -0.479 29.866 30.300 0.075 0.000 0.858 442 R HN 0.471 nan 8.270 nan 0.000 0.439 443 S N 0.285 115.994 115.700 0.014 0.000 2.368 443 S HA -0.124 4.348 4.470 0.002 0.000 0.225 443 S C 1.988 176.591 174.600 0.006 0.000 1.030 443 S CA 1.251 59.464 58.200 0.022 0.000 0.999 443 S CB -0.096 63.118 63.200 0.023 0.000 0.844 443 S HN 0.496 nan 8.310 nan 0.000 0.459 444 A N 1.089 123.904 122.820 -0.009 0.000 1.968 444 A HA 0.130 4.451 4.320 0.002 0.000 0.217 444 A C 2.067 179.626 177.584 -0.041 0.000 1.169 444 A CA 0.738 52.770 52.037 -0.007 0.000 0.638 444 A CB -0.567 18.441 19.000 0.013 0.000 0.812 444 A HN 0.427 nan 8.150 nan 0.000 0.446 445 L N -0.461 120.685 121.223 -0.129 0.000 2.017 445 L HA -0.132 4.210 4.340 0.002 0.000 0.208 445 L C -0.463 176.356 176.870 -0.086 0.000 1.073 445 L CA 1.581 56.289 54.840 -0.220 0.000 0.745 445 L CB -1.362 40.291 42.059 -0.677 0.000 0.894 445 L HN 0.236 nan 8.230 nan 0.000 0.432 446 P HA -0.142 nan 4.420 nan 0.000 0.218 446 P C 1.847 179.175 177.300 0.047 0.000 1.148 446 P CA 1.130 64.280 63.100 0.083 0.000 0.822 446 P CB 0.053 31.819 31.700 0.110 0.000 0.784 447 V N -0.007 119.924 119.914 0.027 0.000 2.358 447 V HA -0.179 3.942 4.120 0.002 0.000 0.246 447 V C 2.543 178.651 176.094 0.023 0.000 1.047 447 V CA 2.021 64.337 62.300 0.025 0.000 1.035 447 V CB -1.422 30.414 31.823 0.022 0.000 0.658 447 V HN 0.079 nan 8.190 nan 0.000 0.452 448 V N 0.430 120.353 119.914 0.015 0.000 2.453 448 V HA -0.086 4.035 4.120 0.002 0.000 0.247 448 V C 1.718 177.828 176.094 0.026 0.000 1.048 448 V CA 1.766 64.077 62.300 0.018 0.000 1.049 448 V CB -1.049 30.783 31.823 0.016 0.000 0.672 448 V HN 0.716 nan 8.190 nan 0.000 0.457 449 T N 0.000 114.574 114.554 0.033 0.000 3.816 449 T HA 0.000 4.351 4.350 0.002 0.000 0.228 449 T CA 0.000 62.128 62.100 0.047 0.000 1.349 449 T CB 0.000 68.913 68.868 0.074 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658