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 1z6r_1_A DATA FIRST_RESID 12 DATA SEQUENCE QIKQTNAGAV YRLIDQLGPV SRIDLSRLAQ LAPASITKIV HEXLEAHLVQ DATA SEQUENCE ELXXXXXXXX XXXXXGLVVE TEAWHYLSLR ISRGEIFLAL RDLSSKLVVE DATA SEQUENCE ESQELALKDD LPLLDRIISH IDQFFIRHQK KLERLTSIAI TLPGIIDTEN DATA SEQUENCE GIVHRXPFYE DVKEXPLGEA LEQHTGVPVY IQHDISAWTX AEALFGASRG DATA SEQUENCE ARDVIQVVID HNVGAGVITD GHLLHAGSSS LVEIGHTQVD PYGKRCYCGN DATA SEQUENCE HGCLETIASV DSILELAQLR LNQSXSSXLH GQPLTVDSLC QAALRGDLLA DATA SEQUENCE KDIITGVGAH VGRILAIXVN LFNPQKILIG SPLSKAADIL FPVISDSIRQ DATA SEQUENCE QALPAYSQHI SVESTQFSNQ GTXAGAALVK DAXYNGSLLI RLLQG 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.006 176.000 0.009 0.000 1.003 12 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 12 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 13 I N 1.544 122.119 120.570 0.008 0.000 2.406 13 I HA 0.068 4.240 4.170 0.004 0.000 0.249 13 I C 2.177 178.299 176.117 0.007 0.000 1.122 13 I CA 1.332 62.636 61.300 0.007 0.000 1.431 13 I CB -0.239 37.765 38.000 0.006 0.000 1.087 13 I HN 0.246 nan 8.210 nan 0.000 0.424 14 K N 0.633 121.037 120.400 0.007 0.000 2.147 14 K HA -0.247 4.075 4.320 0.004 0.000 0.205 14 K C 2.195 178.799 176.600 0.007 0.000 1.049 14 K CA 1.354 57.646 56.287 0.008 0.000 0.936 14 K CB -0.064 32.441 32.500 0.008 0.000 0.722 14 K HN 0.345 nan 8.250 nan 0.000 0.446 15 Q N -0.090 119.714 119.800 0.007 0.000 1.975 15 Q HA -0.178 4.164 4.340 0.004 0.000 0.205 15 Q C 1.662 177.668 176.000 0.010 0.000 0.990 15 Q CA 2.643 58.451 55.803 0.007 0.000 0.845 15 Q CB -0.235 28.509 28.738 0.009 0.000 0.913 15 Q HN 0.318 nan 8.270 nan 0.000 0.420 16 T N 1.798 116.359 114.554 0.012 0.000 2.620 16 T HA -0.218 4.134 4.350 0.004 0.000 0.267 16 T C 1.548 176.254 174.700 0.009 0.000 1.044 16 T CA 1.684 63.793 62.100 0.014 0.000 1.161 16 T CB -0.532 68.344 68.868 0.013 0.000 0.862 16 T HN 0.413 nan 8.240 nan 0.000 0.438 17 N N 1.716 120.419 118.700 0.006 0.000 2.058 17 N HA -0.079 4.663 4.740 0.004 0.000 0.191 17 N C 2.324 177.839 175.510 0.008 0.000 1.037 17 N CA 1.430 54.482 53.050 0.003 0.000 0.848 17 N CB -0.675 37.815 38.487 0.004 0.000 1.021 17 N HN 0.446 nan 8.380 nan 0.000 0.422 18 A N 1.133 123.961 122.820 0.013 0.000 1.917 18 A HA -0.107 4.215 4.320 0.004 0.000 0.219 18 A C 2.437 180.045 177.584 0.039 0.000 1.182 18 A CA 2.223 54.273 52.037 0.022 0.000 0.633 18 A CB -1.301 17.703 19.000 0.007 0.000 0.819 18 A HN 0.423 nan 8.150 nan 0.000 0.448 19 G N -0.838 107.980 108.800 0.030 0.000 2.414 19 G HA2 0.055 4.017 3.960 0.004 0.000 0.215 19 G HA3 0.055 4.017 3.960 0.004 0.000 0.215 19 G C 1.799 176.707 174.900 0.014 0.000 1.188 19 G CA 1.379 46.511 45.100 0.053 0.000 0.783 19 G HN 0.870 nan 8.290 nan 0.000 0.537 20 A N 0.047 122.854 122.820 -0.021 0.000 1.948 20 A HA -0.012 4.310 4.320 0.004 0.000 0.220 20 A C 2.605 180.141 177.584 -0.080 0.000 1.177 20 A CA 2.058 54.053 52.037 -0.070 0.000 0.636 20 A CB -0.657 18.316 19.000 -0.045 0.000 0.815 20 A HN 0.282 nan 8.150 nan 0.000 0.449 21 V N -1.932 117.968 119.914 -0.024 0.000 2.283 21 V HA -0.237 3.885 4.120 0.004 0.000 0.243 21 V C 2.298 178.389 176.094 -0.006 0.000 1.039 21 V CA 1.967 64.259 62.300 -0.013 0.000 1.016 21 V CB -0.951 30.883 31.823 0.019 0.000 0.650 21 V HN 0.697 nan 8.190 nan 0.000 0.449 22 Y N 1.123 121.378 120.300 -0.074 0.000 2.207 22 Y HA -0.286 4.266 4.550 0.004 0.000 0.287 22 Y C 2.731 178.561 175.900 -0.118 0.000 1.156 22 Y CA 2.244 60.315 58.100 -0.050 0.000 1.182 22 Y CB -0.219 38.246 38.460 0.008 0.000 0.979 22 Y HN 0.108 nan 8.280 nan 0.000 0.521 23 R N -0.062 120.281 120.500 -0.262 0.000 2.083 23 R HA -0.175 4.167 4.340 0.004 0.000 0.237 23 R C 1.935 177.968 176.300 -0.446 0.000 1.137 23 R CA 2.107 57.744 56.100 -0.773 0.000 0.951 23 R CB -0.499 29.241 30.300 -0.932 0.000 0.851 23 R HN 0.442 nan 8.270 nan 0.000 0.434 24 L N 0.124 121.178 121.223 -0.281 0.000 2.478 24 L HA 0.012 4.354 4.340 0.004 0.000 0.223 24 L C 1.911 178.685 176.870 -0.159 0.000 1.140 24 L CA 0.496 55.223 54.840 -0.188 0.000 0.842 24 L CB 0.063 42.041 42.059 -0.134 0.000 0.953 24 L HN 0.254 nan 8.230 nan 0.000 0.452 25 I N -0.965 119.487 120.570 -0.197 0.000 2.585 25 I HA -0.155 4.017 4.170 0.004 0.000 0.254 25 I C 2.098 178.087 176.117 -0.215 0.000 1.129 25 I CA 0.615 61.803 61.300 -0.185 0.000 1.455 25 I CB -0.094 37.787 38.000 -0.200 0.000 1.111 25 I HN 0.178 nan 8.210 nan 0.000 0.433 26 D N 1.018 121.234 120.400 -0.307 0.000 2.078 26 D HA -0.204 4.438 4.640 0.004 0.000 0.193 26 D C 2.200 178.455 176.300 -0.074 0.000 0.990 26 D CA 1.843 55.709 54.000 -0.223 0.000 0.827 26 D CB 0.033 40.754 40.800 -0.132 0.000 0.975 26 D HN 0.297 nan 8.370 nan 0.000 0.451 27 Q N -0.684 119.078 119.800 -0.063 0.000 1.994 27 Q HA 0.043 4.385 4.340 0.004 0.000 0.198 27 Q C 1.351 177.329 176.000 -0.038 0.000 0.976 27 Q CA 0.775 56.560 55.803 -0.030 0.000 0.828 27 Q CB 0.011 28.723 28.738 -0.045 0.000 0.894 27 Q HN 0.265 nan 8.270 nan 0.000 0.432 28 L N 0.949 122.135 121.223 -0.061 0.000 2.978 28 L HA 0.343 4.685 4.340 0.004 0.000 0.239 28 L C 0.368 177.210 176.870 -0.046 0.000 1.293 28 L CA -0.669 54.142 54.840 -0.048 0.000 1.085 28 L CB 0.460 42.486 42.059 -0.054 0.000 1.432 28 L HN 0.034 nan 8.230 nan 0.000 0.512 29 G N -0.063 108.711 108.800 -0.044 0.000 2.389 29 G HA2 0.644 4.606 3.960 0.004 0.000 0.328 29 G HA3 0.644 4.606 3.960 0.004 0.000 0.328 29 G C -2.596 172.296 174.900 -0.014 0.000 1.133 29 G CA -1.021 44.058 45.100 -0.035 0.000 0.891 29 G HN -0.025 nan 8.290 nan 0.000 0.485 30 P HA 0.489 nan 4.420 nan 0.000 0.278 30 P C -0.898 176.395 177.300 -0.012 0.000 1.238 30 P CA -0.595 62.501 63.100 -0.007 0.000 0.794 30 P CB 1.833 33.536 31.700 0.004 0.000 0.955 31 V N 1.498 121.403 119.914 -0.015 0.000 2.789 31 V HA 0.411 4.533 4.120 0.004 0.000 0.300 31 V C -0.259 175.828 176.094 -0.011 0.000 1.184 31 V CA -0.415 61.876 62.300 -0.016 0.000 0.930 31 V CB 1.886 33.692 31.823 -0.028 0.000 1.041 31 V HN 0.817 nan 8.190 nan 0.000 0.430 32 S N 5.832 121.529 115.700 -0.006 0.000 2.589 32 S HA 0.335 4.807 4.470 0.004 0.000 0.265 32 S C 1.146 175.744 174.600 -0.003 0.000 1.342 32 S CA 0.436 58.635 58.200 -0.001 0.000 1.005 32 S CB 0.981 64.181 63.200 0.000 0.000 0.909 32 S HN 0.913 nan 8.310 nan 0.000 0.555 33 R N 0.458 120.959 120.500 0.003 0.000 2.112 33 R HA -0.142 4.201 4.340 0.004 0.000 0.242 33 R C 2.114 178.413 176.300 -0.003 0.000 1.137 33 R CA 2.523 58.625 56.100 0.003 0.000 0.944 33 R CB -0.792 29.512 30.300 0.007 0.000 0.857 33 R HN 0.820 nan 8.270 nan 0.000 0.435 34 I N 0.355 120.923 120.570 -0.003 0.000 2.226 34 I HA -0.264 3.908 4.170 0.004 0.000 0.245 34 I C 1.683 177.794 176.117 -0.009 0.000 1.100 34 I CA 1.145 62.441 61.300 -0.006 0.000 1.374 34 I CB -0.354 37.643 38.000 -0.005 0.000 1.057 34 I HN 0.144 nan 8.210 nan 0.000 0.413 35 D N 0.865 121.258 120.400 -0.011 0.000 2.178 35 D HA -0.107 4.535 4.640 0.004 0.000 0.201 35 D C 2.311 178.599 176.300 -0.020 0.000 0.980 35 D CA 1.157 55.148 54.000 -0.015 0.000 0.842 35 D CB -0.072 40.719 40.800 -0.015 0.000 0.948 35 D HN 0.313 nan 8.370 nan 0.000 0.472 36 L N -0.177 121.034 121.223 -0.020 0.000 2.179 36 L HA -0.080 4.262 4.340 0.004 0.000 0.208 36 L C 2.483 179.341 176.870 -0.021 0.000 1.096 36 L CA 0.463 55.289 54.840 -0.024 0.000 0.779 36 L CB -0.289 41.757 42.059 -0.022 0.000 0.922 36 L HN -0.046 nan 8.230 nan 0.000 0.443 37 S N 0.605 116.296 115.700 -0.014 0.000 2.365 37 S HA -0.240 4.232 4.470 0.004 0.000 0.225 37 S C 2.137 176.729 174.600 -0.014 0.000 1.039 37 S CA 1.959 60.152 58.200 -0.012 0.000 1.033 37 S CB -0.094 63.100 63.200 -0.009 0.000 0.887 37 S HN 0.502 nan 8.310 nan 0.000 0.447 38 R N 0.289 120.779 120.500 -0.016 0.000 2.119 38 R HA 0.133 4.476 4.340 0.004 0.000 0.222 38 R C 2.325 178.612 176.300 -0.021 0.000 1.088 38 R CA 1.128 57.218 56.100 -0.016 0.000 0.984 38 R CB -0.635 29.656 30.300 -0.015 0.000 0.884 38 R HN 0.361 nan 8.270 nan 0.000 0.447 39 L N 0.999 122.207 121.223 -0.026 0.000 2.027 39 L HA -0.009 4.333 4.340 0.004 0.000 0.206 39 L C 2.533 179.381 176.870 -0.037 0.000 1.074 39 L CA 1.405 56.225 54.840 -0.034 0.000 0.745 39 L CB -0.360 41.673 42.059 -0.042 0.000 0.898 39 L HN 0.378 nan 8.230 nan 0.000 0.433 40 A N -1.690 121.109 122.820 -0.036 0.000 2.251 40 A HA -0.008 4.315 4.320 0.004 0.000 0.209 40 A C 0.899 178.469 177.584 -0.024 0.000 1.187 40 A CA -0.095 51.921 52.037 -0.035 0.000 0.823 40 A CB -0.112 18.866 19.000 -0.035 0.000 0.846 40 A HN 0.523 nan 8.150 nan 0.000 0.486 41 Q N -1.986 117.802 119.800 -0.020 0.000 2.463 41 Q HA -0.194 4.149 4.340 0.004 0.000 0.299 41 Q C -1.309 174.685 176.000 -0.011 0.000 1.353 41 Q CA 0.506 56.300 55.803 -0.015 0.000 0.828 41 Q CB -1.541 27.189 28.738 -0.014 0.000 1.157 41 Q HN 0.479 nan 8.270 nan 0.000 0.436 42 L N -0.635 120.582 121.223 -0.010 0.000 2.388 42 L HA 0.742 5.084 4.340 0.004 0.000 0.264 42 L C -0.003 176.863 176.870 -0.006 0.000 0.998 42 L CA 0.037 54.873 54.840 -0.007 0.000 0.817 42 L CB 1.682 43.738 42.059 -0.005 0.000 1.338 42 L HN 0.229 nan 8.230 nan 0.000 0.414 43 A N 3.661 126.478 122.820 -0.005 0.000 2.520 43 A HA 0.359 4.681 4.320 0.004 0.000 0.235 43 A C -1.714 175.867 177.584 -0.005 0.000 1.065 43 A CA -0.518 51.516 52.037 -0.005 0.000 0.764 43 A CB -0.447 18.550 19.000 -0.005 0.000 1.002 43 A HN 0.731 nan 8.150 nan 0.000 0.502 44 P HA -0.238 nan 4.420 nan 0.000 0.217 44 P C 1.560 178.856 177.300 -0.006 0.000 1.148 44 P CA 2.414 65.511 63.100 -0.005 0.000 0.834 44 P CB 0.105 31.801 31.700 -0.006 0.000 0.783 45 A N -0.995 121.820 122.820 -0.007 0.000 1.930 45 A HA -0.140 4.182 4.320 0.004 0.000 0.217 45 A C 2.312 179.893 177.584 -0.005 0.000 1.175 45 A CA 2.008 54.039 52.037 -0.009 0.000 0.627 45 A CB -1.325 17.669 19.000 -0.010 0.000 0.815 45 A HN 0.147 nan 8.150 nan 0.000 0.443 46 S N -0.799 114.899 115.700 -0.002 0.000 2.436 46 S HA -0.014 4.458 4.470 0.004 0.000 0.228 46 S C 1.673 176.278 174.600 0.007 0.000 1.014 46 S CA 0.997 59.199 58.200 0.002 0.000 0.950 46 S CB -0.251 62.950 63.200 0.002 0.000 0.784 46 S HN 0.467 nan 8.310 nan 0.000 0.504 47 I N 1.600 122.172 120.570 0.005 0.000 2.761 47 I HA -0.082 4.090 4.170 0.004 0.000 0.261 47 I C 2.048 178.176 176.117 0.017 0.000 1.198 47 I CA 1.099 62.404 61.300 0.009 0.000 1.482 47 I CB -0.238 37.763 38.000 0.002 0.000 1.100 47 I HN 0.177 nan 8.210 nan 0.000 0.445 48 T N -0.239 114.322 114.554 0.012 0.000 2.851 48 T HA -0.149 4.203 4.350 0.004 0.000 0.262 48 T C 1.891 176.613 174.700 0.036 0.000 1.043 48 T CA 1.285 63.393 62.100 0.015 0.000 1.140 48 T CB -0.088 68.771 68.868 -0.016 0.000 0.872 48 T HN 0.116 nan 8.240 nan 0.000 0.446 49 K N 1.405 121.819 120.400 0.025 0.000 1.991 49 K HA -0.003 4.320 4.320 0.004 0.000 0.212 49 K C 2.021 178.663 176.600 0.070 0.000 1.049 49 K CA 1.422 57.733 56.287 0.040 0.000 0.932 49 K CB -0.671 31.841 32.500 0.021 0.000 0.717 49 K HN 0.299 nan 8.250 nan 0.000 0.441 50 I N -0.005 120.594 120.570 0.049 0.000 2.179 50 I HA -0.264 3.908 4.170 0.004 0.000 0.242 50 I C 2.114 178.267 176.117 0.060 0.000 1.088 50 I CA 0.987 62.315 61.300 0.047 0.000 1.357 50 I CB -0.247 37.773 38.000 0.033 0.000 1.051 50 I HN -0.020 nan 8.210 nan 0.000 0.409 51 V N 0.289 120.244 119.914 0.068 0.000 2.332 51 V HA -0.346 3.777 4.120 0.004 0.000 0.248 51 V C 2.479 178.627 176.094 0.090 0.000 1.055 51 V CA 2.072 64.416 62.300 0.073 0.000 1.038 51 V CB -0.959 30.903 31.823 0.066 0.000 0.651 51 V HN 0.518 nan 8.190 nan 0.000 0.450 52 H N 0.325 119.399 119.070 0.006 0.000 2.293 52 H HA -0.086 4.472 4.556 0.003 0.000 0.300 52 H C 1.446 176.769 175.328 -0.007 0.000 1.082 52 H CA 1.310 57.358 56.048 -0.001 0.000 1.308 52 H CB 0.188 29.949 29.762 -0.001 0.000 1.375 52 H HN 0.545 nan 8.280 nan 0.000 0.495 56 E N 1.597 121.604 120.200 -0.322 0.000 2.017 56 E HA -0.109 4.243 4.350 0.004 0.000 0.193 56 E C 1.985 178.374 176.600 -0.351 0.000 0.997 56 E CA 1.711 57.902 56.400 -0.348 0.000 0.804 56 E CB -0.142 29.414 29.700 -0.241 0.000 0.757 56 E HN 0.470 nan 8.360 nan 0.000 0.448 57 A N 0.566 123.314 122.820 -0.120 0.000 2.209 57 A HA -0.131 4.191 4.320 0.004 0.000 0.212 57 A C 0.101 177.879 177.584 0.323 0.000 1.158 57 A CA 0.861 52.960 52.037 0.103 0.000 0.742 57 A CB -0.565 18.520 19.000 0.142 0.000 0.790 57 A HN 0.392 nan 8.150 nan 0.000 0.472 58 H N -3.042 116.154 119.070 0.212 0.000 3.237 58 H HA -0.149 4.409 4.556 0.003 0.000 0.231 58 H C 0.903 176.461 175.328 0.383 0.000 1.148 58 H CA 1.095 57.300 56.048 0.262 0.000 1.155 58 H CB -1.945 27.961 29.762 0.239 0.000 1.210 58 H HN 0.520 nan 8.280 nan 0.000 0.317 59 L N -0.092 121.318 121.223 0.311 0.000 2.362 59 L HA 0.023 4.365 4.340 0.004 0.000 0.219 59 L C 0.930 177.939 176.870 0.232 0.000 1.134 59 L CA 0.955 55.863 54.840 0.114 0.000 0.807 59 L CB 0.306 42.291 42.059 -0.124 0.000 0.927 59 L HN -0.038 nan 8.230 nan 0.000 0.447 60 V N -0.970 119.063 119.914 0.198 0.000 2.760 60 V HA 0.343 4.466 4.120 0.004 0.000 0.309 60 V C -0.708 175.466 176.094 0.134 0.000 1.077 60 V CA -0.697 61.693 62.300 0.150 0.000 0.910 60 V CB 2.462 34.352 31.823 0.111 0.000 1.008 60 V HN 0.066 nan 8.190 nan 0.000 0.424 61 Q N 2.068 121.937 119.800 0.116 0.000 2.399 61 Q HA 0.579 4.921 4.340 0.004 0.000 0.276 61 Q C -1.051 174.992 176.000 0.072 0.000 1.098 61 Q CA -0.730 55.138 55.803 0.108 0.000 0.827 61 Q CB 2.672 31.483 28.738 0.121 0.000 1.386 61 Q HN 0.775 nan 8.270 nan 0.000 0.443 62 E N 1.714 121.953 120.200 0.066 0.000 2.222 62 E HA 0.602 4.955 4.350 0.004 0.000 0.272 62 E C -0.841 175.785 176.600 0.044 0.000 0.982 62 E CA -0.490 55.940 56.400 0.049 0.000 0.842 62 E CB 1.663 31.392 29.700 0.048 0.000 1.144 62 E HN 0.430 nan 8.360 nan 0.000 0.397 78 L N 1.172 122.399 121.223 0.007 0.000 2.264 78 L HA 0.601 4.944 4.340 0.004 0.000 0.289 78 L C 0.343 177.211 176.870 -0.003 0.000 1.044 78 L CA -0.767 54.078 54.840 0.009 0.000 0.807 78 L CB 0.621 42.684 42.059 0.007 0.000 1.192 78 L HN 0.324 nan 8.230 nan 0.000 0.425 79 V N 4.002 123.925 119.914 0.014 0.000 2.732 79 V HA 0.432 4.554 4.120 0.004 0.000 0.310 79 V C 0.316 176.419 176.094 0.016 0.000 1.053 79 V CA -0.988 61.318 62.300 0.010 0.000 0.957 79 V CB 2.566 34.408 31.823 0.032 0.000 1.018 79 V HN 0.380 nan 8.190 nan 0.000 0.452 80 V N 2.943 122.849 119.914 -0.012 0.000 2.508 80 V HA 0.158 4.280 4.120 0.004 0.000 0.281 80 V C 0.428 176.593 176.094 0.119 0.000 1.041 80 V CA 0.086 62.394 62.300 0.012 0.000 1.016 80 V CB 1.171 32.938 31.823 -0.094 0.000 0.984 80 V HN 0.858 nan 8.190 nan 0.000 0.478 81 E N 3.751 124.069 120.200 0.196 0.000 2.146 81 E HA 0.313 4.665 4.350 0.004 0.000 0.282 81 E C 0.430 177.250 176.600 0.366 0.000 0.989 81 E CA 0.096 56.649 56.400 0.255 0.000 0.799 81 E CB 1.654 31.528 29.700 0.291 0.000 1.088 81 E HN 0.857 nan 8.360 nan 0.000 0.397 82 T N 0.528 115.280 114.554 0.330 0.000 3.010 82 T HA 0.135 4.487 4.350 0.004 0.000 0.253 82 T C 1.215 176.127 174.700 0.354 0.000 0.939 82 T CA -0.286 62.046 62.100 0.387 0.000 0.910 82 T CB 0.029 69.071 68.868 0.291 0.000 1.226 82 T HN 0.348 nan 8.240 nan 0.000 0.508 83 E N 2.109 122.451 120.200 0.236 0.000 2.130 83 E HA -0.077 4.275 4.350 0.004 0.000 0.196 83 E C 1.345 178.028 176.600 0.138 0.000 0.998 83 E CA 1.346 57.855 56.400 0.181 0.000 0.806 83 E CB -0.109 29.658 29.700 0.112 0.000 0.738 83 E HN 0.623 nan 8.360 nan 0.000 0.459 84 A N 0.025 122.851 122.820 0.011 0.000 3.181 84 A HA 0.221 4.543 4.320 0.004 0.000 0.293 84 A C -1.206 176.058 177.584 -0.533 0.000 1.346 84 A CA -0.336 51.526 52.037 -0.292 0.000 1.018 84 A CB -0.530 18.263 19.000 -0.345 0.000 1.093 84 A HN 0.202 nan 8.150 nan 0.000 0.629 85 W N 0.393 121.644 121.300 -0.081 0.000 2.822 85 W HA 0.403 5.066 4.660 0.004 0.000 0.317 85 W C -0.606 176.040 176.519 0.211 0.000 1.033 85 W CA -0.331 57.026 57.345 0.020 0.000 1.252 85 W CB 0.917 30.442 29.460 0.109 0.000 1.186 85 W HN 0.354 nan 8.180 nan 0.000 0.383 86 H N 1.689 120.952 119.070 0.322 0.000 2.567 86 H HA 0.536 5.094 4.556 0.004 0.000 0.345 86 H C -0.515 175.017 175.328 0.339 0.000 1.169 86 H CA -1.002 55.191 56.048 0.241 0.000 1.227 86 H CB 1.574 31.416 29.762 0.133 0.000 1.607 86 H HN 0.473 nan 8.280 nan 0.000 0.534 87 Y N -1.096 119.379 120.300 0.292 0.000 2.581 87 Y HA 0.502 5.054 4.550 0.003 0.000 0.345 87 Y C -1.366 174.636 175.900 0.170 0.000 1.036 87 Y CA -1.222 57.011 58.100 0.222 0.000 1.042 87 Y CB 1.388 39.956 38.460 0.179 0.000 1.289 87 Y HN 0.438 nan 8.280 nan 0.000 0.471 88 L N 3.128 124.505 121.223 0.255 0.000 2.264 88 L HA 0.448 4.790 4.340 0.004 0.000 0.289 88 L C -0.321 176.614 176.870 0.108 0.000 1.044 88 L CA -0.399 54.487 54.840 0.077 0.000 0.807 88 L CB 1.406 43.541 42.059 0.127 0.000 1.192 88 L HN 0.894 nan 8.230 nan 0.000 0.425 89 S N 4.898 120.570 115.700 -0.046 0.000 2.433 89 S HA 0.576 5.048 4.470 0.004 0.000 0.310 89 S C -0.666 173.886 174.600 -0.080 0.000 1.097 89 S CA -0.646 57.571 58.200 0.029 0.000 1.103 89 S CB 0.681 63.887 63.200 0.010 0.000 0.992 89 S HN 0.398 nan 8.310 nan 0.000 0.469 90 L N 4.707 125.908 121.223 -0.036 0.000 2.334 90 L HA 0.649 4.991 4.340 0.004 0.000 0.276 90 L C 0.145 176.996 176.870 -0.032 0.000 1.014 90 L CA -0.218 54.587 54.840 -0.059 0.000 0.815 90 L CB 1.709 43.739 42.059 -0.049 0.000 1.268 90 L HN 0.672 nan 8.230 nan 0.000 0.428 91 R N 3.257 123.752 120.500 -0.009 0.000 2.514 91 R HA 0.640 4.982 4.340 0.004 0.000 0.296 91 R C -1.391 174.957 176.300 0.080 0.000 1.012 91 R CA -0.540 55.555 56.100 -0.009 0.000 0.897 91 R CB 1.434 31.652 30.300 -0.136 0.000 1.184 91 R HN 0.580 nan 8.270 nan 0.000 0.440 92 I N 3.050 123.653 120.570 0.055 0.000 2.392 92 I HA 0.359 4.531 4.170 0.004 0.000 0.295 92 I C 0.215 176.412 176.117 0.134 0.000 0.985 92 I CA -0.102 61.257 61.300 0.098 0.000 1.221 92 I CB 1.932 39.971 38.000 0.064 0.000 1.366 92 I HN 0.738 nan 8.210 nan 0.000 0.467 93 S N 4.769 120.563 115.700 0.157 0.000 2.819 93 S HA 0.471 4.943 4.470 0.004 0.000 0.299 93 S C -0.353 174.175 174.600 -0.121 0.000 1.192 93 S CA -1.123 57.108 58.200 0.052 0.000 0.847 93 S CB 1.014 64.225 63.200 0.017 0.000 1.224 93 S HN 0.584 nan 8.310 nan 0.000 0.537 94 R N 0.719 120.834 120.500 -0.643 0.000 2.770 94 R HA 0.303 4.646 4.340 0.004 0.000 0.361 94 R C 1.288 177.405 176.300 -0.305 0.000 0.860 94 R CA 1.394 56.997 56.100 -0.828 0.000 1.071 94 R CB -1.214 28.504 30.300 -0.970 0.000 0.907 94 R HN 1.443 nan 8.270 nan 0.000 0.403 95 G N 2.841 111.548 108.800 -0.155 0.000 2.225 95 G HA2 -0.292 3.671 3.960 0.004 0.000 0.267 95 G HA3 -0.292 3.671 3.960 0.004 0.000 0.267 95 G C -0.207 174.703 174.900 0.016 0.000 1.024 95 G CA 0.564 45.663 45.100 -0.002 0.000 0.784 95 G HN 0.632 nan 8.290 nan 0.000 0.507 96 E N -1.235 118.987 120.200 0.037 0.000 2.372 96 E HA 0.612 4.965 4.350 0.004 0.000 0.279 96 E C -1.088 175.497 176.600 -0.024 0.000 0.946 96 E CA -0.855 55.509 56.400 -0.061 0.000 0.769 96 E CB 2.575 32.219 29.700 -0.092 0.000 1.230 96 E HN 0.354 nan 8.360 nan 0.000 0.442 97 I N 2.237 122.706 120.570 -0.168 0.000 2.534 97 I HA 0.410 4.582 4.170 0.004 0.000 0.288 97 I C -1.679 174.312 176.117 -0.210 0.000 1.077 97 I CA -0.644 60.590 61.300 -0.109 0.000 1.051 97 I CB 0.753 38.645 38.000 -0.180 0.000 1.234 97 I HN 0.315 nan 8.210 nan 0.000 0.425 98 F N 7.462 127.316 119.950 -0.160 0.000 2.420 98 F HA 0.594 5.124 4.527 0.004 0.000 0.342 98 F C -0.667 174.997 175.800 -0.228 0.000 1.113 98 F CA -0.581 57.317 58.000 -0.170 0.000 1.059 98 F CB 1.511 40.421 39.000 -0.150 0.000 1.128 98 F HN 0.173 nan 8.300 nan 0.000 0.475 99 L N 3.357 124.485 121.223 -0.158 0.000 2.365 99 L HA 0.897 5.239 4.340 0.004 0.000 0.273 99 L C -0.463 176.137 176.870 -0.449 0.000 1.000 99 L CA -0.751 53.824 54.840 -0.441 0.000 0.819 99 L CB 1.805 43.377 42.059 -0.812 0.000 1.284 99 L HN 0.685 nan 8.230 nan 0.000 0.418 100 A N 3.071 125.621 122.820 -0.450 0.000 2.459 100 A HA 0.712 5.034 4.320 0.004 0.000 0.296 100 A C -1.462 175.958 177.584 -0.273 0.000 1.039 100 A CA -0.433 51.443 52.037 -0.269 0.000 0.698 100 A CB 1.495 20.388 19.000 -0.177 0.000 1.261 100 A HN 0.675 nan 8.150 nan 0.000 0.405 101 L N 2.536 123.693 121.223 -0.110 0.000 2.289 101 L HA 0.638 4.980 4.340 0.004 0.000 0.285 101 L C -0.290 176.369 176.870 -0.351 0.000 1.049 101 L CA -0.332 54.424 54.840 -0.140 0.000 0.804 101 L CB 1.012 43.097 42.059 0.043 0.000 1.195 101 L HN 0.905 nan 8.230 nan 0.000 0.428 102 R N 2.562 122.731 120.500 -0.551 0.000 2.725 102 R HA 0.321 4.663 4.340 0.004 0.000 0.277 102 R C -1.298 174.784 176.300 -0.363 0.000 0.987 102 R CA -1.069 54.684 56.100 -0.579 0.000 0.901 102 R CB 1.951 31.753 30.300 -0.829 0.000 1.207 102 R HN 0.538 nan 8.270 nan 0.000 0.463 103 D N 1.398 121.733 120.400 -0.108 0.000 2.449 103 D HA -0.027 4.615 4.640 0.004 0.000 0.236 103 D C 1.301 177.801 176.300 0.333 0.000 1.149 103 D CA 0.265 54.377 54.000 0.187 0.000 0.878 103 D CB 0.825 41.714 40.800 0.150 0.000 1.198 103 D HN 0.375 nan 8.370 nan 0.000 0.446 104 L N 1.480 122.966 121.223 0.439 0.000 2.261 104 L HA -0.201 4.141 4.340 0.004 0.000 0.216 104 L C 2.215 179.279 176.870 0.323 0.000 1.114 104 L CA 1.160 56.250 54.840 0.417 0.000 0.777 104 L CB -0.433 41.819 42.059 0.323 0.000 0.910 104 L HN 0.434 nan 8.230 nan 0.000 0.440 105 S N -0.901 114.964 115.700 0.275 0.000 2.474 105 S HA -0.158 4.314 4.470 0.004 0.000 0.235 105 S C 1.401 176.106 174.600 0.174 0.000 0.997 105 S CA 0.884 59.221 58.200 0.229 0.000 0.949 105 S CB -0.046 63.261 63.200 0.179 0.000 0.766 105 S HN 0.658 nan 8.310 nan 0.000 0.517 106 S N -1.036 114.755 115.700 0.152 0.000 2.541 106 S HA -0.214 4.259 4.470 0.004 0.000 0.262 106 S C -0.025 174.517 174.600 -0.096 0.000 1.321 106 S CA 0.618 58.818 58.200 -0.001 0.000 1.243 106 S CB -2.614 60.369 63.200 -0.362 0.000 1.531 106 S HN 0.845 nan 8.310 nan 0.000 0.656 107 K N 1.998 122.379 120.400 -0.033 0.000 2.436 107 K HA 0.375 4.697 4.320 0.004 0.000 0.282 107 K C 0.505 177.036 176.600 -0.115 0.000 1.044 107 K CA -0.279 55.974 56.287 -0.057 0.000 1.028 107 K CB 0.296 32.795 32.500 -0.002 0.000 0.919 107 K HN 0.533 nan 8.250 nan 0.000 0.474 108 L N 4.927 126.070 121.223 -0.135 0.000 2.514 108 L HA -0.103 4.239 4.340 0.004 0.000 0.280 108 L C 0.518 177.294 176.870 -0.157 0.000 1.223 108 L CA -0.024 54.719 54.840 -0.161 0.000 0.864 108 L CB 0.794 42.774 42.059 -0.131 0.000 1.118 108 L HN 0.625 nan 8.230 nan 0.000 0.494 109 V N 4.597 124.389 119.914 -0.204 0.000 2.854 109 V HA 0.187 4.310 4.120 0.004 0.000 0.236 109 V C 0.088 176.065 176.094 -0.195 0.000 1.157 109 V CA 0.746 62.919 62.300 -0.211 0.000 1.187 109 V CB 0.998 32.613 31.823 -0.348 0.000 0.949 109 V HN 0.684 nan 8.190 nan 0.000 0.488 110 V N -1.453 118.336 119.914 -0.208 0.000 3.188 110 V HA 0.747 4.869 4.120 0.004 0.000 0.305 110 V C -1.224 174.822 176.094 -0.080 0.000 1.232 110 V CA -0.735 61.420 62.300 -0.241 0.000 1.043 110 V CB 2.408 33.823 31.823 -0.679 0.000 1.068 110 V HN 0.407 nan 8.190 nan 0.000 0.439 111 E N 0.426 120.610 120.200 -0.027 0.000 2.343 111 E HA 0.514 4.866 4.350 0.004 0.000 0.288 111 E C -1.522 175.140 176.600 0.102 0.000 0.907 111 E CA -0.375 56.047 56.400 0.037 0.000 0.792 111 E CB 2.351 32.042 29.700 -0.016 0.000 1.275 111 E HN 0.910 nan 8.360 nan 0.000 0.402 112 E N 1.246 121.536 120.200 0.149 0.000 2.392 112 E HA 0.548 4.900 4.350 0.004 0.000 0.269 112 E C -1.351 175.210 176.600 -0.066 0.000 0.924 112 E CA -0.971 55.491 56.400 0.103 0.000 0.784 112 E CB 2.183 32.042 29.700 0.264 0.000 1.292 112 E HN 0.513 nan 8.360 nan 0.000 0.447 113 S N 0.887 116.481 115.700 -0.175 0.000 2.549 113 S HA 0.560 5.032 4.470 0.004 0.000 0.280 113 S C -0.809 173.599 174.600 -0.319 0.000 1.109 113 S CA -1.066 56.894 58.200 -0.400 0.000 0.905 113 S CB 2.195 64.947 63.200 -0.746 0.000 1.081 113 S HN 0.338 nan 8.310 nan 0.000 0.477 114 Q N 0.755 120.327 119.800 -0.379 0.000 2.484 114 Q HA 0.498 4.840 4.340 0.004 0.000 0.285 114 Q C -0.926 174.895 176.000 -0.299 0.000 1.097 114 Q CA -0.815 54.791 55.803 -0.328 0.000 0.802 114 Q CB 1.852 30.296 28.738 -0.490 0.000 1.444 114 Q HN 0.911 nan 8.270 nan 0.000 0.429 115 E N 0.949 121.034 120.200 -0.192 0.000 2.360 115 E HA 0.214 4.566 4.350 0.004 0.000 0.269 115 E C -1.034 175.526 176.600 -0.067 0.000 1.022 115 E CA 0.126 56.463 56.400 -0.105 0.000 0.887 115 E CB 0.388 30.063 29.700 -0.041 0.000 0.990 115 E HN 0.461 nan 8.360 nan 0.000 0.426 116 L N 4.176 125.401 121.223 0.004 0.000 2.625 116 L HA 0.442 4.784 4.340 0.004 0.000 0.255 116 L C -0.567 176.428 176.870 0.208 0.000 1.493 116 L CA -0.631 54.275 54.840 0.110 0.000 0.796 116 L CB 0.447 42.553 42.059 0.077 0.000 1.064 116 L HN 0.803 nan 8.230 nan 0.000 0.516 117 A N 0.883 123.790 122.820 0.145 0.000 2.584 117 A HA 0.007 4.329 4.320 0.004 0.000 0.239 117 A C 1.332 179.043 177.584 0.210 0.000 1.043 117 A CA 0.167 52.279 52.037 0.124 0.000 0.756 117 A CB 0.284 19.328 19.000 0.073 0.000 0.963 117 A HN 0.744 nan 8.150 nan 0.000 0.511 118 L N 0.773 122.061 121.223 0.107 0.000 2.187 118 L HA -0.117 4.225 4.340 0.004 0.000 0.213 118 L C 0.963 177.925 176.870 0.153 0.000 1.100 118 L CA 1.427 56.295 54.840 0.047 0.000 0.765 118 L CB -0.447 41.524 42.059 -0.146 0.000 0.904 118 L HN 0.642 nan 8.230 nan 0.000 0.437 119 K N -0.284 120.178 120.400 0.103 0.000 2.443 119 K HA 0.456 4.778 4.320 0.004 0.000 0.252 119 K C -1.267 175.375 176.600 0.070 0.000 0.933 119 K CA -0.511 55.827 56.287 0.085 0.000 0.792 119 K CB 2.572 35.101 32.500 0.047 0.000 1.185 119 K HN -0.186 nan 8.250 nan 0.000 0.425 120 D N 0.121 120.557 120.400 0.061 0.000 2.677 120 D HA 0.185 4.827 4.640 0.004 0.000 0.298 120 D C -0.334 175.980 176.300 0.024 0.000 1.250 120 D CA -0.352 53.672 54.000 0.040 0.000 0.888 120 D CB 1.689 42.514 40.800 0.042 0.000 1.397 120 D HN 0.324 nan 8.370 nan 0.000 0.461 121 D N -0.540 119.867 120.400 0.012 0.000 2.154 121 D HA 0.127 4.769 4.640 0.004 0.000 0.211 121 D C 0.151 176.448 176.300 -0.004 0.000 0.977 121 D CA 0.754 54.756 54.000 0.003 0.000 0.869 121 D CB -0.138 40.661 40.800 -0.001 0.000 1.022 121 D HN 0.282 nan 8.370 nan 0.000 0.461 122 L N 2.517 123.732 121.223 -0.014 0.000 2.534 122 L HA 0.167 4.509 4.340 0.004 0.000 0.271 122 L C -2.005 174.850 176.870 -0.025 0.000 1.178 122 L CA -1.478 53.345 54.840 -0.027 0.000 0.907 122 L CB -0.363 41.668 42.059 -0.047 0.000 1.164 122 L HN -0.128 nan 8.230 nan 0.000 0.482 123 P HA -0.100 nan 4.420 nan 0.000 0.270 123 P C 0.635 177.908 177.300 -0.044 0.000 1.221 123 P CA -0.304 62.781 63.100 -0.024 0.000 0.788 123 P CB 0.600 32.285 31.700 -0.025 0.000 0.904 124 L N 2.039 123.230 121.223 -0.053 0.000 2.017 124 L HA -0.142 4.200 4.340 0.004 0.000 0.208 124 L C 2.106 178.913 176.870 -0.106 0.000 1.073 124 L CA 1.674 56.451 54.840 -0.105 0.000 0.745 124 L CB -1.165 40.787 42.059 -0.179 0.000 0.894 124 L HN 0.336 nan 8.230 nan 0.000 0.432 125 L N -0.839 120.331 121.223 -0.088 0.000 2.043 125 L HA -0.285 4.058 4.340 0.004 0.000 0.212 125 L C 2.139 178.951 176.870 -0.096 0.000 1.075 125 L CA 1.866 56.655 54.840 -0.084 0.000 0.752 125 L CB -0.559 41.461 42.059 -0.065 0.000 0.891 125 L HN 0.382 nan 8.230 nan 0.000 0.432 126 D N -0.329 120.015 120.400 -0.093 0.000 2.088 126 D HA -0.227 4.416 4.640 0.004 0.000 0.191 126 D C 2.194 178.409 176.300 -0.143 0.000 0.992 126 D CA 1.299 55.231 54.000 -0.113 0.000 0.831 126 D CB -0.251 40.496 40.800 -0.089 0.000 0.973 126 D HN 0.154 nan 8.370 nan 0.000 0.447 127 R N 0.003 120.420 120.500 -0.138 0.000 2.133 127 R HA -0.133 4.209 4.340 0.004 0.000 0.247 127 R C 2.487 178.659 176.300 -0.213 0.000 1.151 127 R CA 0.923 56.894 56.100 -0.214 0.000 0.971 127 R CB -0.369 29.858 30.300 -0.121 0.000 0.866 127 R HN 0.250 nan 8.270 nan 0.000 0.447 128 I N 0.080 120.615 120.570 -0.058 0.000 2.113 128 I HA -0.324 3.849 4.170 0.004 0.000 0.238 128 I C 2.207 178.306 176.117 -0.030 0.000 1.070 128 I CA 1.457 62.770 61.300 0.021 0.000 1.332 128 I CB -0.293 37.689 38.000 -0.031 0.000 1.044 128 I HN 0.150 nan 8.210 nan 0.000 0.402 129 I N -0.008 120.499 120.570 -0.106 0.000 2.118 129 I HA -0.406 3.766 4.170 0.004 0.000 0.241 129 I C 2.802 178.838 176.117 -0.134 0.000 1.070 129 I CA 1.763 62.961 61.300 -0.169 0.000 1.327 129 I CB -0.434 37.363 38.000 -0.339 0.000 1.034 129 I HN 0.260 nan 8.210 nan 0.000 0.405 130 S N -0.259 115.338 115.700 -0.172 0.000 2.387 130 S HA -0.263 4.209 4.470 0.004 0.000 0.230 130 S C 2.094 176.618 174.600 -0.127 0.000 1.035 130 S CA 1.539 59.638 58.200 -0.168 0.000 1.014 130 S CB -0.395 62.652 63.200 -0.255 0.000 0.836 130 S HN 0.418 nan 8.310 nan 0.000 0.466 131 H N 0.929 119.975 119.070 -0.039 0.000 2.326 131 H HA 0.033 4.591 4.556 0.004 0.000 0.301 131 H C 2.274 177.589 175.328 -0.022 0.000 1.081 131 H CA 1.674 57.702 56.048 -0.033 0.000 1.334 131 H CB -0.689 29.037 29.762 -0.060 0.000 1.385 131 H HN 0.446 nan 8.280 nan 0.000 0.504 132 I N 0.799 121.415 120.570 0.078 0.000 2.151 132 I HA -0.287 3.886 4.170 0.004 0.000 0.243 132 I C 2.183 178.340 176.117 0.067 0.000 1.080 132 I CA 1.403 62.692 61.300 -0.018 0.000 1.339 132 I CB -0.323 37.699 38.000 0.037 0.000 1.039 132 I HN 0.085 nan 8.210 nan 0.000 0.409 133 D N 0.750 121.258 120.400 0.180 0.000 2.126 133 D HA -0.239 4.403 4.640 0.004 0.000 0.190 133 D C 2.291 178.705 176.300 0.191 0.000 1.001 133 D CA 1.473 55.630 54.000 0.261 0.000 0.841 133 D CB -0.348 40.565 40.800 0.187 0.000 0.949 133 D HN 0.412 nan 8.370 nan 0.000 0.446 134 Q N -0.981 118.888 119.800 0.115 0.000 2.096 134 Q HA -0.165 4.177 4.340 0.004 0.000 0.204 134 Q C 2.175 178.212 176.000 0.061 0.000 0.982 134 Q CA 0.803 56.653 55.803 0.078 0.000 0.850 134 Q CB -0.276 28.504 28.738 0.070 0.000 0.901 134 Q HN 0.311 nan 8.270 nan 0.000 0.422 135 F N 0.529 120.418 119.950 -0.102 0.000 2.065 135 F HA -0.273 4.256 4.527 0.004 0.000 0.298 135 F C 1.720 177.451 175.800 -0.115 0.000 1.112 135 F CA 1.632 59.531 58.000 -0.168 0.000 1.212 135 F CB -0.347 38.458 39.000 -0.325 0.000 0.975 135 F HN -0.015 nan 8.300 nan 0.000 0.476 136 F N 0.172 120.240 119.950 0.197 0.000 2.102 136 F HA -0.215 4.314 4.527 0.004 0.000 0.298 136 F C 2.393 178.180 175.800 -0.021 0.000 1.105 136 F CA 1.291 59.344 58.000 0.088 0.000 1.239 136 F CB -0.684 38.401 39.000 0.141 0.000 0.991 136 F HN -0.089 nan 8.300 nan 0.000 0.474 137 I N -0.348 120.325 120.570 0.171 0.000 2.145 137 I HA -0.355 3.817 4.170 0.004 0.000 0.244 137 I C 2.748 178.835 176.117 -0.050 0.000 1.075 137 I CA 1.250 62.583 61.300 0.055 0.000 1.332 137 I CB -0.518 37.505 38.000 0.039 0.000 1.033 137 I HN 0.129 nan 8.210 nan 0.000 0.410 138 R N 0.563 120.967 120.500 -0.160 0.000 2.061 138 R HA -0.108 4.234 4.340 0.004 0.000 0.230 138 R C 1.302 177.360 176.300 -0.403 0.000 1.140 138 R CA 1.446 57.341 56.100 -0.342 0.000 0.940 138 R CB -0.346 29.635 30.300 -0.532 0.000 0.839 138 R HN 0.415 nan 8.270 nan 0.000 0.429 139 H N 0.741 119.631 119.070 -0.300 0.000 2.655 139 H HA 0.093 4.651 4.556 0.004 0.000 0.309 139 H C 1.209 176.471 175.328 -0.111 0.000 1.180 139 H CA -0.102 55.779 56.048 -0.279 0.000 1.087 139 H CB 0.599 30.036 29.762 -0.542 0.000 1.494 139 H HN 0.390 nan 8.280 nan 0.000 0.515 140 Q N 1.233 121.047 119.800 0.024 0.000 2.020 140 Q HA -0.133 4.209 4.340 0.004 0.000 0.202 140 Q C 1.535 177.563 176.000 0.046 0.000 0.982 140 Q CA 1.248 57.083 55.803 0.053 0.000 0.838 140 Q CB 0.271 29.024 28.738 0.024 0.000 0.899 140 Q HN 0.313 nan 8.270 nan 0.000 0.423 141 K N -0.001 120.415 120.400 0.026 0.000 2.360 141 K HA -0.143 4.179 4.320 0.004 0.000 0.201 141 K C 1.712 178.332 176.600 0.033 0.000 1.046 141 K CA 1.107 57.405 56.287 0.019 0.000 0.945 141 K CB 0.147 32.651 32.500 0.007 0.000 0.750 141 K HN 0.115 nan 8.250 nan 0.000 0.464 142 K N 0.162 120.593 120.400 0.052 0.000 2.356 142 K HA 0.122 4.444 4.320 0.004 0.000 0.195 142 K C 0.504 177.184 176.600 0.133 0.000 1.037 142 K CA -0.103 56.220 56.287 0.060 0.000 1.014 142 K CB 0.373 32.879 32.500 0.010 0.000 0.815 142 K HN 0.028 nan 8.250 nan 0.000 0.507 143 L N 1.357 122.669 121.223 0.149 0.000 2.456 143 L HA -0.030 4.312 4.340 0.004 0.000 0.272 143 L C 0.742 177.683 176.870 0.119 0.000 1.189 143 L CA 0.136 55.117 54.840 0.234 0.000 0.846 143 L CB 0.946 43.114 42.059 0.182 0.000 1.111 143 L HN 0.122 nan 8.230 nan 0.000 0.475 144 E N 2.358 122.568 120.200 0.017 0.000 3.892 144 E HA 0.353 4.705 4.350 0.004 0.000 0.327 144 E C -0.507 175.942 176.600 -0.251 0.000 0.690 144 E CA -0.385 55.835 56.400 -0.301 0.000 1.780 144 E CB 0.518 29.798 29.700 -0.701 0.000 2.148 144 E HN 0.428 nan 8.360 nan 0.000 0.465 145 R N 0.646 120.931 120.500 -0.359 0.000 2.265 145 R HA 0.330 4.672 4.340 0.004 0.000 0.314 145 R C -0.886 175.426 176.300 0.020 0.000 1.053 145 R CA -0.579 55.405 56.100 -0.194 0.000 0.931 145 R CB 0.677 30.771 30.300 -0.343 0.000 1.024 145 R HN 0.203 nan 8.270 nan 0.000 0.457 146 L N 3.684 124.948 121.223 0.067 0.000 2.278 146 L HA 0.144 4.486 4.340 0.004 0.000 0.287 146 L C 1.168 178.160 176.870 0.203 0.000 1.072 146 L CA 0.516 55.453 54.840 0.161 0.000 0.819 146 L CB 1.343 43.434 42.059 0.054 0.000 1.176 146 L HN 0.801 nan 8.230 nan 0.000 0.435 147 T N -0.241 114.494 114.554 0.301 0.000 2.939 147 T HA 0.242 4.594 4.350 0.004 0.000 0.254 147 T C 0.644 175.469 174.700 0.208 0.000 1.041 147 T CA 0.592 62.859 62.100 0.278 0.000 1.142 147 T CB -0.116 68.933 68.868 0.302 0.000 0.874 147 T HN 0.668 nan 8.240 nan 0.000 0.452 148 S N -0.336 115.515 115.700 0.252 0.000 2.636 148 S HA 0.649 5.122 4.470 0.004 0.000 0.266 148 S C -1.944 172.806 174.600 0.250 0.000 1.147 148 S CA -1.260 57.058 58.200 0.197 0.000 0.815 148 S CB 0.873 64.236 63.200 0.272 0.000 1.119 148 S HN 0.291 nan 8.310 nan 0.000 0.470 149 I N 1.116 121.781 120.570 0.158 0.000 2.447 149 I HA 0.670 4.842 4.170 0.004 0.000 0.287 149 I C -0.063 176.159 176.117 0.176 0.000 1.023 149 I CA -0.744 60.670 61.300 0.190 0.000 1.083 149 I CB 1.801 39.880 38.000 0.132 0.000 1.245 149 I HN 0.944 nan 8.210 nan 0.000 0.434 150 A N 7.943 130.908 122.820 0.241 0.000 2.274 150 A HA 0.851 5.173 4.320 0.004 0.000 0.309 150 A C -0.519 177.137 177.584 0.121 0.000 1.226 150 A CA -0.326 51.834 52.037 0.204 0.000 0.853 150 A CB 0.363 19.474 19.000 0.184 0.000 1.146 150 A HN 0.672 nan 8.150 nan 0.000 0.518 151 I N 1.577 122.203 120.570 0.093 0.000 2.509 151 I HA 0.437 4.609 4.170 0.004 0.000 0.293 151 I C -0.258 175.886 176.117 0.044 0.000 1.020 151 I CA -0.310 61.019 61.300 0.048 0.000 1.088 151 I CB 2.595 40.613 38.000 0.030 0.000 1.267 151 I HN 0.511 nan 8.210 nan 0.000 0.430 152 T N 7.148 121.712 114.554 0.016 0.000 2.879 152 T HA 0.772 5.124 4.350 0.004 0.000 0.290 152 T C -0.943 173.745 174.700 -0.020 0.000 0.993 152 T CA -0.444 61.657 62.100 0.002 0.000 0.975 152 T CB 1.384 70.238 68.868 -0.022 0.000 0.981 152 T HN 0.387 nan 8.240 nan 0.000 0.439 153 L N 1.914 123.116 121.223 -0.036 0.000 2.775 153 L HA 0.799 5.141 4.340 0.004 0.000 0.263 153 L C -3.118 173.653 176.870 -0.165 0.000 1.017 153 L CA -2.430 52.387 54.840 -0.039 0.000 0.891 153 L CB 0.207 42.283 42.059 0.029 0.000 1.482 153 L HN 0.229 nan 8.230 nan 0.000 0.410 154 P HA 0.624 nan 4.420 nan 0.000 0.276 154 P C 0.035 177.344 177.300 0.015 0.000 1.252 154 P CA 0.556 63.536 63.100 -0.200 0.000 0.802 154 P CB 1.453 33.180 31.700 0.045 0.000 1.035 155 G N 0.158 109.049 108.800 0.151 0.000 2.343 155 G HA2 -0.022 3.940 3.960 0.004 0.000 0.562 155 G HA3 -0.022 3.940 3.960 0.004 0.000 0.562 155 G C -1.404 173.641 174.900 0.242 0.000 1.269 155 G CA -0.820 44.379 45.100 0.164 0.000 1.011 155 G HN 0.470 nan 8.290 nan 0.000 0.498 156 I N 0.392 121.067 120.570 0.175 0.000 2.315 156 I HA 0.531 4.703 4.170 0.004 0.000 0.291 156 I C -0.220 176.017 176.117 0.201 0.000 1.006 156 I CA -0.478 60.935 61.300 0.188 0.000 1.265 156 I CB 1.224 39.325 38.000 0.168 0.000 1.387 156 I HN 0.350 nan 8.210 nan 0.000 0.475 157 I N 5.758 126.440 120.570 0.185 0.000 2.447 157 I HA 0.161 4.333 4.170 0.004 0.000 0.287 157 I C -0.048 176.121 176.117 0.087 0.000 1.023 157 I CA -0.353 61.007 61.300 0.100 0.000 1.083 157 I CB 1.696 39.764 38.000 0.114 0.000 1.245 157 I HN 0.427 nan 8.210 nan 0.000 0.434 158 D N 4.515 124.886 120.400 -0.048 0.000 2.455 158 D HA -0.027 4.615 4.640 0.004 0.000 0.234 158 D C 1.409 177.722 176.300 0.021 0.000 1.224 158 D CA 0.301 54.304 54.000 0.006 0.000 0.999 158 D CB 0.807 41.550 40.800 -0.096 0.000 1.072 158 D HN 0.665 nan 8.370 nan 0.000 0.514 159 T N 2.105 116.696 114.554 0.063 0.000 2.803 159 T HA -0.245 4.107 4.350 0.004 0.000 0.269 159 T C 1.514 176.256 174.700 0.070 0.000 1.052 159 T CA 1.736 63.880 62.100 0.074 0.000 1.136 159 T CB 0.139 69.061 68.868 0.089 0.000 0.864 159 T HN 0.306 nan 8.240 nan 0.000 0.467 160 E N 1.235 121.471 120.200 0.060 0.000 2.047 160 E HA -0.047 4.305 4.350 0.004 0.000 0.191 160 E C 1.611 178.234 176.600 0.040 0.000 0.987 160 E CA 1.409 57.842 56.400 0.055 0.000 0.799 160 E CB -0.107 29.623 29.700 0.051 0.000 0.752 160 E HN 0.504 nan 8.360 nan 0.000 0.449 161 N N -1.130 117.581 118.700 0.020 0.000 2.184 161 N HA 0.162 4.904 4.740 0.004 0.000 0.206 161 N C 0.313 175.812 175.510 -0.019 0.000 1.151 161 N CA 0.724 53.775 53.050 0.001 0.000 0.878 161 N CB 1.163 39.649 38.487 -0.002 0.000 1.014 161 N HN 0.249 nan 8.380 nan 0.000 0.512 162 G N 1.371 110.162 108.800 -0.015 0.000 2.233 162 G HA2 -0.297 3.665 3.960 0.004 0.000 0.270 162 G HA3 -0.297 3.665 3.960 0.004 0.000 0.270 162 G C 0.011 174.874 174.900 -0.062 0.000 1.011 162 G CA 0.084 45.169 45.100 -0.025 0.000 0.762 162 G HN 0.368 nan 8.290 nan 0.000 0.511 163 I N 0.469 120.971 120.570 -0.114 0.000 2.416 163 I HA 0.274 4.446 4.170 0.004 0.000 0.288 163 I C 0.692 176.649 176.117 -0.267 0.000 1.051 163 I CA -0.682 60.499 61.300 -0.197 0.000 1.375 163 I CB 1.471 39.309 38.000 -0.270 0.000 1.407 163 I HN -0.130 nan 8.210 nan 0.000 0.516 164 V N 7.064 126.876 119.914 -0.170 0.000 2.368 164 V HA 0.097 4.219 4.120 0.004 0.000 0.266 164 V C 1.069 177.102 176.094 -0.102 0.000 1.045 164 V CA -0.397 61.835 62.300 -0.113 0.000 0.899 164 V CB 0.424 32.230 31.823 -0.028 0.000 1.006 164 V HN 0.683 nan 8.190 nan 0.000 0.470 165 H N 4.146 123.237 119.070 0.034 0.000 2.261 165 H HA 0.176 4.734 4.556 0.003 0.000 0.301 165 H C 0.926 176.270 175.328 0.027 0.000 1.067 165 H CA 1.207 57.271 56.048 0.027 0.000 1.297 165 H CB 0.431 30.207 29.762 0.024 0.000 1.377 165 H HN 0.453 nan 8.280 nan 0.000 0.492 169 F N -0.869 119.034 119.950 -0.078 0.000 2.789 169 F HA 0.227 4.756 4.527 0.003 0.000 0.300 169 F C 0.214 175.675 175.800 -0.564 0.000 1.132 169 F CA 0.278 58.079 58.000 -0.332 0.000 1.404 169 F CB -0.020 38.720 39.000 -0.433 0.000 1.114 169 F HN -0.042 nan 8.300 nan 0.000 0.584 170 Y N 0.116 120.480 120.300 0.107 0.000 2.787 170 Y HA 0.243 4.795 4.550 0.003 0.000 0.352 170 Y C 1.007 176.923 175.900 0.027 0.000 1.027 170 Y CA -1.142 57.000 58.100 0.070 0.000 1.219 170 Y CB -0.056 38.449 38.460 0.075 0.000 1.110 170 Y HN 0.019 nan 8.280 nan 0.000 0.614 171 E N 0.559 120.813 120.200 0.089 0.000 2.333 171 E HA -0.216 4.136 4.350 0.004 0.000 0.200 171 E C 0.473 177.114 176.600 0.070 0.000 1.010 171 E CA 1.303 57.734 56.400 0.051 0.000 0.841 171 E CB 0.242 29.953 29.700 0.019 0.000 0.757 171 E HN 0.726 nan 8.360 nan 0.000 0.508 172 D N -0.415 120.047 120.400 0.103 0.000 2.355 172 D HA -0.010 4.632 4.640 0.004 0.000 0.218 172 D C -0.139 176.204 176.300 0.071 0.000 1.004 172 D CA 0.163 54.211 54.000 0.080 0.000 0.880 172 D CB 0.416 41.266 40.800 0.083 0.000 0.911 172 D HN -0.113 nan 8.370 nan 0.000 0.528 173 V N 1.519 121.487 119.914 0.091 0.000 2.439 173 V HA 0.126 4.249 4.120 0.004 0.000 0.271 173 V C 0.292 176.419 176.094 0.056 0.000 1.040 173 V CA 0.286 62.625 62.300 0.064 0.000 1.002 173 V CB 0.607 32.475 31.823 0.075 0.000 1.000 173 V HN -0.046 nan 8.190 nan 0.000 0.477 174 K N 4.649 125.075 120.400 0.043 0.000 2.565 174 K HA 0.462 4.785 4.320 0.004 0.000 0.249 174 K C -0.711 175.916 176.600 0.044 0.000 0.958 174 K CA -0.725 55.593 56.287 0.052 0.000 0.806 174 K CB 1.865 34.392 32.500 0.045 0.000 1.194 174 K HN 0.696 nan 8.250 nan 0.000 0.434 178 L N 0.511 121.710 121.223 -0.040 0.000 1.990 178 L HA -0.170 4.172 4.340 0.004 0.000 0.213 178 L C 2.180 179.035 176.870 -0.025 0.000 1.072 178 L CA 2.663 57.484 54.840 -0.033 0.000 0.755 178 L CB -0.633 41.406 42.059 -0.033 0.000 0.889 178 L HN 0.466 nan 8.230 nan 0.000 0.432 179 G N -0.649 108.134 108.800 -0.028 0.000 2.587 179 G HA2 -0.390 3.573 3.960 0.004 0.000 0.217 179 G HA3 -0.390 3.573 3.960 0.004 0.000 0.217 179 G C 1.294 176.177 174.900 -0.028 0.000 1.240 179 G CA 1.040 46.120 45.100 -0.033 0.000 0.794 179 G HN 0.532 nan 8.290 nan 0.000 0.580 180 E N 0.511 120.697 120.200 -0.022 0.000 2.055 180 E HA -0.226 4.126 4.350 0.004 0.000 0.209 180 E C 2.778 179.379 176.600 0.001 0.000 1.036 180 E CA 1.787 58.179 56.400 -0.012 0.000 0.849 180 E CB -0.469 29.225 29.700 -0.009 0.000 0.767 180 E HN 0.332 nan 8.360 nan 0.000 0.461 181 A N 0.981 123.802 122.820 0.002 0.000 1.873 181 A HA -0.212 4.110 4.320 0.004 0.000 0.218 181 A C 2.355 179.968 177.584 0.049 0.000 1.193 181 A CA 1.839 53.886 52.037 0.017 0.000 0.629 181 A CB -0.958 18.039 19.000 -0.005 0.000 0.826 181 A HN 0.410 nan 8.150 nan 0.000 0.447 182 L N -1.079 120.165 121.223 0.036 0.000 2.131 182 L HA -0.213 4.129 4.340 0.004 0.000 0.210 182 L C 2.597 179.515 176.870 0.080 0.000 1.092 182 L CA 1.626 56.512 54.840 0.076 0.000 0.759 182 L CB -0.504 41.584 42.059 0.048 0.000 0.903 182 L HN 0.521 nan 8.230 nan 0.000 0.435 183 E N -0.538 119.678 120.200 0.027 0.000 2.072 183 E HA -0.253 4.099 4.350 0.004 0.000 0.190 183 E C 2.155 178.767 176.600 0.020 0.000 0.982 183 E CA 0.788 57.190 56.400 0.004 0.000 0.803 183 E CB 0.038 29.719 29.700 -0.032 0.000 0.755 183 E HN 0.407 nan 8.360 nan 0.000 0.453 184 Q N -0.235 119.586 119.800 0.035 0.000 2.084 184 Q HA -0.239 4.103 4.340 0.004 0.000 0.202 184 Q C 1.968 178.005 176.000 0.061 0.000 0.978 184 Q CA 1.659 57.484 55.803 0.037 0.000 0.844 184 Q CB -0.026 28.737 28.738 0.040 0.000 0.898 184 Q HN 0.320 nan 8.270 nan 0.000 0.426 185 H N -1.150 117.923 119.070 0.005 0.000 2.403 185 H HA -0.018 4.540 4.556 0.004 0.000 0.298 185 H C 1.850 177.191 175.328 0.022 0.000 1.059 185 H CA 2.014 58.071 56.048 0.016 0.000 1.363 185 H CB 0.191 29.968 29.762 0.025 0.000 1.410 185 H HN 0.372 nan 8.280 nan 0.000 0.528 186 T N -4.580 109.991 114.554 0.028 0.000 3.015 186 T HA 0.246 4.598 4.350 0.004 0.000 0.250 186 T C 1.848 176.518 174.700 -0.049 0.000 1.057 186 T CA 0.565 62.648 62.100 -0.028 0.000 1.066 186 T CB 0.083 69.006 68.868 0.092 0.000 0.959 186 T HN 0.512 nan 8.240 nan 0.000 0.488 187 G N 0.762 109.545 108.800 -0.028 0.000 2.179 187 G HA2 -0.224 3.738 3.960 0.004 0.000 0.260 187 G HA3 -0.224 3.738 3.960 0.004 0.000 0.260 187 G C 0.101 174.989 174.900 -0.019 0.000 0.977 187 G CA 0.170 45.252 45.100 -0.030 0.000 0.641 187 G HN 0.734 nan 8.290 nan 0.000 0.533 188 V N 1.897 121.804 119.914 -0.011 0.000 2.612 188 V HA 0.583 4.706 4.120 0.004 0.000 0.301 188 V C -1.748 174.317 176.094 -0.050 0.000 1.046 188 V CA -1.762 60.537 62.300 -0.003 0.000 0.946 188 V CB 1.915 33.758 31.823 0.033 0.000 1.003 188 V HN 0.067 nan 8.190 nan 0.000 0.459 189 P HA 0.145 nan 4.420 nan 0.000 0.269 189 P C -1.177 175.854 177.300 -0.448 0.000 1.209 189 P CA 0.099 63.025 63.100 -0.290 0.000 0.776 189 P CB 0.457 31.962 31.700 -0.325 0.000 0.876 190 V N 4.137 123.723 119.914 -0.545 0.000 2.409 190 V HA 0.281 4.403 4.120 0.004 0.000 0.290 190 V C -0.857 174.984 176.094 -0.423 0.000 1.017 190 V CA -0.476 61.599 62.300 -0.375 0.000 0.841 190 V CB 0.479 32.217 31.823 -0.142 0.000 1.003 190 V HN 0.405 nan 8.190 nan 0.000 0.426 191 Y N 5.182 125.496 120.300 0.022 0.000 2.335 191 Y HA 0.686 5.239 4.550 0.004 0.000 0.339 191 Y C 0.243 176.154 175.900 0.018 0.000 0.987 191 Y CA -0.577 57.530 58.100 0.012 0.000 1.140 191 Y CB 1.402 39.858 38.460 -0.007 0.000 1.173 191 Y HN 0.443 nan 8.280 nan 0.000 0.486 192 I N 3.005 123.669 120.570 0.156 0.000 2.646 192 I HA 0.517 4.690 4.170 0.004 0.000 0.299 192 I C -0.701 175.482 176.117 0.110 0.000 1.036 192 I CA -0.939 60.422 61.300 0.102 0.000 1.074 192 I CB 2.355 40.389 38.000 0.056 0.000 1.258 192 I HN 0.529 nan 8.210 nan 0.000 0.430 193 Q N 2.377 122.239 119.800 0.104 0.000 2.633 193 Q HA 0.321 4.663 4.340 0.004 0.000 0.289 193 Q C -1.503 174.586 176.000 0.147 0.000 0.940 193 Q CA -0.766 55.114 55.803 0.128 0.000 0.785 193 Q CB 1.591 30.401 28.738 0.120 0.000 1.467 193 Q HN 0.620 nan 8.270 nan 0.000 0.401 194 H N 1.580 120.702 119.070 0.088 0.000 2.582 194 H HA 0.196 4.754 4.556 0.004 0.000 0.345 194 H C 0.327 175.723 175.328 0.114 0.000 1.104 194 H CA 0.275 56.382 56.048 0.098 0.000 1.390 194 H CB 0.981 30.803 29.762 0.100 0.000 1.461 194 H HN 0.714 nan 8.280 nan 0.000 0.551 195 D N 4.000 124.313 120.400 -0.145 0.000 2.230 195 D HA -0.280 4.362 4.640 0.004 0.000 0.189 195 D C 2.100 178.579 176.300 0.298 0.000 1.006 195 D CA 2.358 56.378 54.000 0.033 0.000 0.853 195 D CB -0.030 40.748 40.800 -0.036 0.000 0.959 195 D HN 0.633 nan 8.370 nan 0.000 0.449 196 I N 0.894 121.761 120.570 0.495 0.000 2.361 196 I HA -0.212 3.961 4.170 0.004 0.000 0.251 196 I C 2.504 178.807 176.117 0.310 0.000 1.133 196 I CA 0.697 62.264 61.300 0.445 0.000 1.413 196 I CB -0.081 38.148 38.000 0.381 0.000 1.073 196 I HN -0.100 nan 8.210 nan 0.000 0.424 197 S N 0.673 116.550 115.700 0.295 0.000 2.357 197 S HA -0.067 4.405 4.470 0.004 0.000 0.221 197 S C 2.306 177.019 174.600 0.189 0.000 1.031 197 S CA 1.146 59.461 58.200 0.190 0.000 0.982 197 S CB -0.312 62.995 63.200 0.178 0.000 0.853 197 S HN 0.519 nan 8.310 nan 0.000 0.458 198 A N 1.247 124.193 122.820 0.210 0.000 1.877 198 A HA -0.160 4.162 4.320 0.004 0.000 0.216 198 A C 1.863 179.610 177.584 0.271 0.000 1.186 198 A CA 1.503 53.651 52.037 0.184 0.000 0.620 198 A CB -1.057 18.023 19.000 0.133 0.000 0.822 198 A HN 0.663 nan 8.150 nan 0.000 0.443 199 W N 1.811 123.164 121.300 0.089 0.000 2.335 199 W HA -0.077 4.587 4.660 0.006 0.000 0.311 199 W C 0.921 177.514 176.519 0.123 0.000 1.213 199 W CA 1.653 59.066 57.345 0.113 0.000 1.274 199 W CB -1.284 28.237 29.460 0.101 0.000 1.148 199 W HN 0.210 nan 8.180 nan 0.000 0.498 203 E N 0.780 121.236 120.200 0.427 0.000 2.152 203 E HA 0.029 4.381 4.350 0.004 0.000 0.192 203 E C 2.081 178.738 176.600 0.095 0.000 0.983 203 E CA 1.208 57.749 56.400 0.235 0.000 0.818 203 E CB -0.237 29.501 29.700 0.064 0.000 0.758 203 E HN 0.669 nan 8.360 nan 0.000 0.467 204 A N 0.577 123.431 122.820 0.057 0.000 2.066 204 A HA -0.020 4.303 4.320 0.004 0.000 0.218 204 A C 2.192 179.739 177.584 -0.061 0.000 1.157 204 A CA 0.712 52.738 52.037 -0.018 0.000 0.670 204 A CB -0.240 18.740 19.000 -0.034 0.000 0.804 204 A HN 0.131 nan 8.150 nan 0.000 0.453 205 L N -3.027 118.139 121.223 -0.094 0.000 2.286 205 L HA 0.196 4.538 4.340 0.004 0.000 0.203 205 L C 1.253 177.798 176.870 -0.541 0.000 1.068 205 L CA 0.723 55.315 54.840 -0.414 0.000 0.811 205 L CB 0.147 41.782 42.059 -0.708 0.000 0.989 205 L HN 0.428 nan 8.230 nan 0.000 0.467 206 F N -1.550 118.522 119.950 0.203 0.000 2.746 206 F HA 0.395 4.924 4.527 0.004 0.000 0.320 206 F C 1.035 176.976 175.800 0.235 0.000 1.097 206 F CA -0.195 57.967 58.000 0.269 0.000 1.195 206 F CB 0.342 39.571 39.000 0.381 0.000 1.056 206 F HN -0.081 nan 8.300 nan 0.000 0.562 207 G N -0.248 108.675 108.800 0.205 0.000 3.252 207 G HA2 0.508 4.470 3.960 0.004 0.000 0.181 207 G HA3 0.508 4.470 3.960 0.004 0.000 0.181 207 G C 0.752 175.580 174.900 -0.119 0.000 1.187 207 G CA 0.050 45.063 45.100 -0.146 0.000 0.886 207 G HN -0.024 nan 8.290 nan 0.000 0.615 208 A N -0.491 122.228 122.820 -0.170 0.000 2.168 208 A HA 0.219 4.541 4.320 0.004 0.000 0.215 208 A C 1.987 179.519 177.584 -0.087 0.000 1.152 208 A CA 2.201 54.165 52.037 -0.122 0.000 0.716 208 A CB -0.408 18.515 19.000 -0.127 0.000 0.794 208 A HN 1.158 nan 8.150 nan 0.000 0.465 209 S N -1.306 114.348 115.700 -0.076 0.000 2.650 209 S HA 0.297 4.769 4.470 0.004 0.000 0.240 209 S C 0.436 175.001 174.600 -0.059 0.000 1.007 209 S CA -0.636 57.521 58.200 -0.072 0.000 0.984 209 S CB -0.095 63.056 63.200 -0.083 0.000 0.910 209 S HN 0.453 nan 8.310 nan 0.000 0.509 210 R N 1.337 121.808 120.500 -0.048 0.000 2.494 210 R HA 0.325 4.667 4.340 0.004 0.000 0.291 210 R C 1.470 177.740 176.300 -0.050 0.000 0.953 210 R CA 1.399 57.470 56.100 -0.049 0.000 1.098 210 R CB -0.153 30.126 30.300 -0.036 0.000 0.911 210 R HN 0.601 nan 8.270 nan 0.000 0.407 211 G N 1.532 110.299 108.800 -0.055 0.000 2.349 211 G HA2 -0.287 3.675 3.960 0.004 0.000 0.213 211 G HA3 -0.287 3.675 3.960 0.004 0.000 0.213 211 G C 0.104 174.969 174.900 -0.058 0.000 1.044 211 G CA -0.220 44.849 45.100 -0.053 0.000 0.633 211 G HN 0.862 nan 8.290 nan 0.000 0.506 212 A N 0.957 123.739 122.820 -0.063 0.000 2.454 212 A HA 0.630 4.952 4.320 0.004 0.000 0.260 212 A C 1.378 178.914 177.584 -0.079 0.000 1.106 212 A CA 0.377 52.372 52.037 -0.069 0.000 0.780 212 A CB 0.244 19.199 19.000 -0.075 0.000 1.044 212 A HN 0.326 nan 8.150 nan 0.000 0.498 213 R N 1.072 121.524 120.500 -0.080 0.000 2.313 213 R HA 0.036 4.378 4.340 0.004 0.000 0.199 213 R C -0.940 175.301 176.300 -0.098 0.000 0.958 213 R CA 0.608 56.652 56.100 -0.094 0.000 1.047 213 R CB -0.210 30.037 30.300 -0.087 0.000 0.955 213 R HN 0.800 nan 8.270 nan 0.000 0.481 214 D N -0.706 119.636 120.400 -0.097 0.000 2.764 214 D HA 0.284 4.926 4.640 0.004 0.000 0.227 214 D C -1.449 174.779 176.300 -0.120 0.000 1.347 214 D CA -0.196 53.739 54.000 -0.109 0.000 0.953 214 D CB 2.474 43.220 40.800 -0.091 0.000 1.476 214 D HN -0.307 nan 8.370 nan 0.000 0.585 215 V N 2.415 122.236 119.914 -0.155 0.000 2.777 215 V HA 0.457 4.579 4.120 0.004 0.000 0.306 215 V C -0.610 175.364 176.094 -0.200 0.000 1.112 215 V CA -0.719 61.488 62.300 -0.155 0.000 0.917 215 V CB 1.934 33.673 31.823 -0.141 0.000 1.018 215 V HN 0.471 nan 8.190 nan 0.000 0.426 216 I N 3.643 124.106 120.570 -0.177 0.000 2.336 216 I HA 0.518 4.690 4.170 0.004 0.000 0.292 216 I C -0.069 175.940 176.117 -0.181 0.000 0.991 216 I CA -0.190 60.999 61.300 -0.186 0.000 1.227 216 I CB 1.586 39.511 38.000 -0.125 0.000 1.366 216 I HN 0.715 nan 8.210 nan 0.000 0.466 217 Q N 6.457 126.141 119.800 -0.193 0.000 2.357 217 Q HA 0.498 4.840 4.340 0.004 0.000 0.266 217 Q C -1.748 174.124 176.000 -0.214 0.000 1.021 217 Q CA -0.638 55.022 55.803 -0.237 0.000 0.784 217 Q CB 1.818 30.379 28.738 -0.296 0.000 1.243 217 Q HN 0.524 nan 8.270 nan 0.000 0.465 218 V N 4.580 124.373 119.914 -0.201 0.000 2.407 218 V HA 0.351 4.473 4.120 0.004 0.000 0.278 218 V C -0.250 175.743 176.094 -0.167 0.000 1.037 218 V CA -0.575 61.639 62.300 -0.142 0.000 0.900 218 V CB 1.564 33.331 31.823 -0.094 0.000 0.983 218 V HN 0.622 nan 8.190 nan 0.000 0.459 219 V N 6.892 126.743 119.914 -0.105 0.000 2.417 219 V HA 0.522 4.644 4.120 0.004 0.000 0.291 219 V C -0.224 175.896 176.094 0.042 0.000 1.024 219 V CA -0.323 61.944 62.300 -0.055 0.000 0.861 219 V CB 1.644 33.488 31.823 0.036 0.000 0.985 219 V HN 0.704 nan 8.190 nan 0.000 0.436 220 I N 4.674 125.285 120.570 0.067 0.000 2.521 220 I HA 0.457 4.630 4.170 0.004 0.000 0.277 220 I C -0.295 175.865 176.117 0.072 0.000 1.054 220 I CA 0.102 61.444 61.300 0.069 0.000 1.117 220 I CB 1.411 39.446 38.000 0.058 0.000 1.217 220 I HN 0.598 nan 8.210 nan 0.000 0.469 221 D N 1.506 121.945 120.400 0.064 0.000 4.018 221 D HA 0.225 4.868 4.640 0.004 0.000 0.260 221 D C 1.196 177.491 176.300 -0.008 0.000 1.574 221 D CA -0.154 53.834 54.000 -0.021 0.000 1.019 221 D CB 0.626 41.422 40.800 -0.006 0.000 1.362 221 D HN 0.321 nan 8.370 nan 0.000 0.648 222 H N 0.073 119.208 119.070 0.107 0.000 2.489 222 H HA 0.127 4.686 4.556 0.004 0.000 0.293 222 H C 0.181 175.575 175.328 0.109 0.000 1.066 222 H CA 0.872 56.981 56.048 0.103 0.000 1.305 222 H CB 0.052 29.881 29.762 0.112 0.000 1.386 222 H HN 0.106 nan 8.280 nan 0.000 0.551 223 N N 0.033 118.860 118.700 0.212 0.000 2.380 223 N HA 0.262 5.004 4.740 0.004 0.000 0.290 223 N C -0.850 174.733 175.510 0.122 0.000 1.236 223 N CA -0.537 52.614 53.050 0.167 0.000 0.780 223 N CB 3.300 41.898 38.487 0.186 0.000 1.438 223 N HN -0.226 nan 8.380 nan 0.000 0.491 224 V N 0.465 120.426 119.914 0.079 0.000 2.398 224 V HA 0.770 4.892 4.120 0.004 0.000 0.286 224 V C 0.595 176.717 176.094 0.046 0.000 1.026 224 V CA -0.403 61.925 62.300 0.048 0.000 0.868 224 V CB 1.092 32.917 31.823 0.004 0.000 0.982 224 V HN 0.856 nan 8.190 nan 0.000 0.443 225 G N 2.806 111.641 108.800 0.059 0.000 2.766 225 G HA2 0.921 4.883 3.960 0.004 0.000 0.288 225 G HA3 0.921 4.883 3.960 0.004 0.000 0.288 225 G C -1.364 173.548 174.900 0.020 0.000 1.408 225 G CA -0.241 44.893 45.100 0.056 0.000 0.852 225 G HN 1.164 nan 8.290 nan 0.000 0.487 226 A N -1.450 121.375 122.820 0.009 0.000 2.589 226 A HA 0.872 5.194 4.320 0.004 0.000 0.296 226 A C -0.255 177.310 177.584 -0.032 0.000 1.062 226 A CA 0.086 52.105 52.037 -0.030 0.000 0.686 226 A CB 1.546 20.529 19.000 -0.028 0.000 1.282 226 A HN 1.923 nan 8.150 nan 0.000 0.404 227 G N -0.339 108.418 108.800 -0.071 0.000 2.432 227 G HA2 0.634 4.596 3.960 0.004 0.000 0.331 227 G HA3 0.634 4.596 3.960 0.004 0.000 0.331 227 G C -1.324 173.481 174.900 -0.157 0.000 1.170 227 G CA -0.631 44.423 45.100 -0.076 0.000 0.943 227 G HN 1.179 nan 8.290 nan 0.000 0.483 228 V N 2.024 121.812 119.914 -0.210 0.000 2.686 228 V HA 0.428 4.550 4.120 0.004 0.000 0.306 228 V C -0.489 175.423 176.094 -0.302 0.000 1.065 228 V CA -0.542 61.535 62.300 -0.372 0.000 0.894 228 V CB 1.765 33.168 31.823 -0.700 0.000 1.004 228 V HN 0.657 nan 8.190 nan 0.000 0.424 229 I N 4.342 124.754 120.570 -0.264 0.000 2.362 229 I HA 0.557 4.729 4.170 0.004 0.000 0.289 229 I C 0.101 176.091 176.117 -0.210 0.000 0.994 229 I CA -0.192 60.998 61.300 -0.182 0.000 1.158 229 I CB 2.132 40.055 38.000 -0.127 0.000 1.315 229 I HN 0.702 nan 8.210 nan 0.000 0.451 230 T N 0.170 114.632 114.554 -0.154 0.000 2.856 230 T HA 0.364 4.716 4.350 0.004 0.000 0.283 230 T C -0.399 174.283 174.700 -0.030 0.000 1.008 230 T CA -0.777 61.274 62.100 -0.081 0.000 0.997 230 T CB 1.571 70.440 68.868 0.000 0.000 0.992 230 T HN 0.586 nan 8.240 nan 0.000 0.454 231 D N 1.395 121.768 120.400 -0.045 0.000 2.802 231 D HA -0.065 4.577 4.640 0.004 0.000 0.229 231 D C 1.380 177.562 176.300 -0.196 0.000 1.203 231 D CA 1.759 55.719 54.000 -0.067 0.000 0.712 231 D CB -1.260 39.547 40.800 0.012 0.000 0.973 231 D HN 1.340 nan 8.370 nan 0.000 0.407 232 G N 0.534 109.213 108.800 -0.202 0.000 2.320 232 G HA2 -0.356 3.606 3.960 0.004 0.000 0.291 232 G HA3 -0.356 3.606 3.960 0.004 0.000 0.291 232 G C 0.124 174.812 174.900 -0.352 0.000 0.994 232 G CA 0.874 45.811 45.100 -0.273 0.000 0.760 232 G HN 0.688 nan 8.290 nan 0.000 0.514 233 H N -1.342 117.701 119.070 -0.045 0.000 2.495 233 H HA 0.454 5.012 4.556 0.004 0.000 0.348 233 H C 0.152 175.444 175.328 -0.060 0.000 1.113 233 H CA -1.311 54.714 56.048 -0.039 0.000 1.195 233 H CB 1.633 31.377 29.762 -0.029 0.000 1.521 233 H HN 0.102 nan 8.280 nan 0.000 0.509 234 L N 3.427 124.712 121.223 0.104 0.000 2.499 234 L HA -0.026 4.317 4.340 0.004 0.000 0.273 234 L C -0.037 176.833 176.870 -0.001 0.000 1.195 234 L CA -0.029 54.826 54.840 0.026 0.000 0.882 234 L CB -0.051 42.037 42.059 0.047 0.000 1.133 234 L HN 0.457 nan 8.230 nan 0.000 0.483 235 L N 6.244 127.416 121.223 -0.085 0.000 2.453 235 L HA 0.159 4.501 4.340 0.004 0.000 0.272 235 L C 0.598 177.425 176.870 -0.071 0.000 1.182 235 L CA 0.620 55.358 54.840 -0.171 0.000 0.858 235 L CB -0.189 41.678 42.059 -0.320 0.000 1.120 235 L HN 0.773 nan 8.230 nan 0.000 0.474 236 H N 2.034 121.114 119.070 0.016 0.000 3.237 236 H HA -0.212 4.346 4.556 0.004 0.000 0.231 236 H C 1.524 176.862 175.328 0.017 0.000 1.148 236 H CA 0.793 56.851 56.048 0.018 0.000 1.155 236 H CB -1.753 28.018 29.762 0.015 0.000 1.210 236 H HN 0.786 nan 8.280 nan 0.000 0.317 237 A N 0.530 123.410 122.820 0.100 0.000 1.971 237 A HA -0.140 4.182 4.320 0.004 0.000 0.222 237 A C 2.587 180.209 177.584 0.063 0.000 1.182 237 A CA 2.299 54.376 52.037 0.067 0.000 0.649 237 A CB -0.841 18.173 19.000 0.024 0.000 0.818 237 A HN 0.591 nan 8.150 nan 0.000 0.458 238 G N -1.348 107.489 108.800 0.061 0.000 3.262 238 G HA2 0.392 4.354 3.960 0.004 0.000 0.228 238 G HA3 0.392 4.354 3.960 0.004 0.000 0.228 238 G C 0.412 175.352 174.900 0.067 0.000 1.197 238 G CA 1.004 46.135 45.100 0.051 0.000 0.819 238 G HN 1.113 nan 8.290 nan 0.000 0.531 239 S N -1.852 113.898 115.700 0.083 0.000 2.790 239 S HA 0.483 4.955 4.470 0.004 0.000 0.292 239 S C 0.763 175.396 174.600 0.056 0.000 1.197 239 S CA 0.442 58.680 58.200 0.062 0.000 0.851 239 S CB 1.043 64.269 63.200 0.044 0.000 1.217 239 S HN 0.406 nan 8.310 nan 0.000 0.526 240 S N 0.189 115.912 115.700 0.038 0.000 2.556 240 S HA 0.301 4.773 4.470 0.004 0.000 0.216 240 S C 0.557 175.141 174.600 -0.026 0.000 0.970 240 S CA 0.103 58.336 58.200 0.056 0.000 0.912 240 S CB -0.804 62.484 63.200 0.146 0.000 0.790 240 S HN 0.957 nan 8.310 nan 0.000 0.504 241 S N 1.564 117.182 115.700 -0.137 0.000 2.614 241 S HA 0.659 5.131 4.470 0.004 0.000 0.265 241 S C -0.260 174.160 174.600 -0.299 0.000 1.303 241 S CA -0.771 57.265 58.200 -0.272 0.000 1.000 241 S CB 0.575 63.511 63.200 -0.441 0.000 0.935 241 S HN 0.431 nan 8.310 nan 0.000 0.551 242 L N 0.692 121.775 121.223 -0.234 0.000 2.341 242 L HA 0.463 4.805 4.340 0.004 0.000 0.267 242 L C -0.639 176.218 176.870 -0.021 0.000 1.009 242 L CA -1.369 53.396 54.840 -0.126 0.000 0.819 242 L CB 1.674 43.635 42.059 -0.163 0.000 1.323 242 L HN 0.396 nan 8.230 nan 0.000 0.425 243 V N 1.422 121.398 119.914 0.104 0.000 2.393 243 V HA -0.037 4.085 4.120 0.004 0.000 0.257 243 V C 0.454 176.591 176.094 0.072 0.000 1.040 243 V CA 0.220 62.599 62.300 0.132 0.000 1.097 243 V CB 0.096 31.982 31.823 0.104 0.000 1.101 243 V HN 0.630 nan 8.190 nan 0.000 0.479 244 E N 4.249 124.500 120.200 0.085 0.000 2.232 244 E HA 0.212 4.564 4.350 0.004 0.000 0.296 244 E C 1.279 177.929 176.600 0.083 0.000 1.372 244 E CA -0.125 56.335 56.400 0.099 0.000 1.527 244 E CB -0.051 29.734 29.700 0.142 0.000 1.424 244 E HN 0.775 nan 8.360 nan 0.000 0.485 245 I N -1.845 118.755 120.570 0.049 0.000 2.361 245 I HA -0.029 4.143 4.170 0.004 0.000 0.251 245 I C 2.002 178.104 176.117 -0.026 0.000 1.133 245 I CA 1.090 62.407 61.300 0.029 0.000 1.413 245 I CB -0.357 37.659 38.000 0.027 0.000 1.073 245 I HN 0.338 nan 8.210 nan 0.000 0.424 246 G N 0.985 109.730 108.800 -0.091 0.000 2.517 246 G HA2 -0.244 3.719 3.960 0.004 0.000 0.222 246 G HA3 -0.244 3.719 3.960 0.004 0.000 0.222 246 G C 1.350 176.006 174.900 -0.406 0.000 1.109 246 G CA 1.036 45.984 45.100 -0.253 0.000 0.746 246 G HN 0.590 nan 8.290 nan 0.000 0.576 247 H N 0.066 119.121 119.070 -0.025 0.000 2.542 247 H HA 0.130 4.688 4.556 0.004 0.000 0.283 247 H C 0.868 176.168 175.328 -0.045 0.000 1.059 247 H CA 0.655 56.665 56.048 -0.064 0.000 1.162 247 H CB -0.077 29.638 29.762 -0.078 0.000 1.539 247 H HN 0.365 nan 8.280 nan 0.000 0.543 248 T N -1.089 113.488 114.554 0.038 0.000 2.907 248 T HA 0.130 4.483 4.350 0.004 0.000 0.298 248 T C 0.384 175.086 174.700 0.003 0.000 1.017 248 T CA -0.712 61.404 62.100 0.028 0.000 1.118 248 T CB 2.142 71.026 68.868 0.027 0.000 0.948 248 T HN 0.204 nan 8.240 nan 0.000 0.531 249 Q N 1.782 121.584 119.800 0.004 0.000 2.293 249 Q HA 0.361 4.703 4.340 0.004 0.000 0.263 249 Q C 0.759 176.752 176.000 -0.011 0.000 1.002 249 Q CA -0.599 55.198 55.803 -0.010 0.000 0.910 249 Q CB 0.784 29.516 28.738 -0.009 0.000 1.185 249 Q HN 0.796 nan 8.270 nan 0.000 0.401 250 V N 0.095 119.984 119.914 -0.042 0.000 3.643 250 V HA 0.337 4.460 4.120 0.004 0.000 0.280 250 V C -0.183 175.885 176.094 -0.042 0.000 1.351 250 V CA 0.104 62.379 62.300 -0.042 0.000 1.073 250 V CB 0.843 32.563 31.823 -0.171 0.000 0.863 250 V HN 0.685 nan 8.190 nan 0.000 0.436 251 D N 1.028 121.404 120.400 -0.040 0.000 2.318 251 D HA 0.317 4.959 4.640 0.004 0.000 0.233 251 D C -2.264 174.034 176.300 -0.004 0.000 1.348 251 D CA -1.158 52.850 54.000 0.013 0.000 0.983 251 D CB 2.209 43.005 40.800 -0.008 0.000 1.416 251 D HN 0.081 nan 8.370 nan 0.000 0.558 252 P HA -0.070 nan 4.420 nan 0.000 0.230 252 P C 0.528 177.561 177.300 -0.444 0.000 1.158 252 P CA 0.692 63.634 63.100 -0.263 0.000 0.769 252 P CB 0.082 31.558 31.700 -0.373 0.000 0.807 253 Y N -0.550 119.754 120.300 0.007 0.000 2.507 253 Y HA 0.386 4.938 4.550 0.003 0.000 0.254 253 Y C 1.975 177.895 175.900 0.033 0.000 1.171 253 Y CA -0.436 57.664 58.100 0.000 0.000 1.238 253 Y CB -0.315 38.147 38.460 0.004 0.000 1.148 253 Y HN -0.090 nan 8.280 nan 0.000 0.525 254 G N 1.175 110.060 108.800 0.141 0.000 2.570 254 G HA2 0.272 4.234 3.960 0.004 0.000 0.276 254 G HA3 0.272 4.234 3.960 0.004 0.000 0.276 254 G C -0.329 174.687 174.900 0.192 0.000 1.346 254 G CA -0.789 44.388 45.100 0.129 0.000 1.034 254 G HN 0.284 nan 8.290 nan 0.000 0.512 255 K N -0.853 119.618 120.400 0.118 0.000 2.098 255 K HA 0.518 4.840 4.320 0.004 0.000 0.257 255 K C 0.214 176.772 176.600 -0.069 0.000 0.999 255 K CA -0.800 55.541 56.287 0.091 0.000 0.924 255 K CB 1.423 33.951 32.500 0.046 0.000 1.028 255 K HN 0.363 nan 8.250 nan 0.000 0.466 256 R N 0.437 120.794 120.500 -0.239 0.000 2.623 256 R HA 0.044 4.386 4.340 0.004 0.000 0.271 256 R C -0.584 175.577 176.300 -0.232 0.000 1.043 256 R CA -0.134 55.667 56.100 -0.498 0.000 1.083 256 R CB 0.444 30.505 30.300 -0.399 0.000 0.974 256 R HN 0.775 nan 8.270 nan 0.000 0.436 257 C N 4.589 123.742 119.300 -0.244 0.000 2.401 257 C HA 0.358 4.820 4.460 0.004 0.000 0.356 257 C C 1.552 176.430 174.990 -0.187 0.000 1.192 257 C CA -0.884 58.017 59.018 -0.195 0.000 2.028 257 C CB 0.362 27.968 27.740 -0.222 0.000 2.344 257 C HN 0.972 nan 8.230 nan 0.000 0.525 258 Y N 2.034 122.343 120.300 0.016 0.000 2.497 258 Y HA 0.005 4.557 4.550 0.004 0.000 0.292 258 Y C 2.199 178.085 175.900 -0.024 0.000 1.137 258 Y CA 1.295 59.395 58.100 -0.002 0.000 1.285 258 Y CB -1.592 36.878 38.460 0.016 0.000 0.991 258 Y HN 0.727 nan 8.280 nan 0.000 0.556 259 C N -0.158 118.844 119.300 -0.497 0.000 2.432 259 C HA 0.523 4.985 4.460 0.004 0.000 0.282 259 C C 2.322 177.199 174.990 -0.190 0.000 1.388 259 C CA 0.385 59.189 59.018 -0.357 0.000 1.777 259 C CB -0.732 26.635 27.740 -0.622 0.000 1.882 259 C HN 0.949 nan 8.230 nan 0.000 0.520 260 G N 0.532 109.233 108.800 -0.165 0.000 2.278 260 G HA2 -0.168 3.794 3.960 0.004 0.000 0.210 260 G HA3 -0.168 3.794 3.960 0.004 0.000 0.210 260 G C -0.141 174.683 174.900 -0.128 0.000 1.000 260 G CA 0.158 45.189 45.100 -0.116 0.000 0.635 260 G HN 0.545 nan 8.290 nan 0.000 0.495 261 N N 0.451 119.072 118.700 -0.132 0.000 2.413 261 N HA 0.608 5.350 4.740 0.004 0.000 0.266 261 N C -0.436 174.988 175.510 -0.143 0.000 1.238 261 N CA -0.079 52.933 53.050 -0.062 0.000 0.972 261 N CB 0.387 38.853 38.487 -0.035 0.000 1.210 261 N HN 0.412 nan 8.380 nan 0.000 0.547 262 H N -1.479 117.560 119.070 -0.052 0.000 2.529 262 H HA 0.463 5.021 4.556 0.003 0.000 0.348 262 H C 0.820 176.115 175.328 -0.054 0.000 1.152 262 H CA 0.232 56.251 56.048 -0.048 0.000 1.202 262 H CB 1.382 31.114 29.762 -0.051 0.000 1.562 262 H HN 0.744 nan 8.280 nan 0.000 0.515 263 G N 1.179 110.010 108.800 0.051 0.000 2.160 263 G HA2 -0.307 3.656 3.960 0.004 0.000 0.251 263 G HA3 -0.307 3.656 3.960 0.004 0.000 0.251 263 G C 0.089 174.963 174.900 -0.044 0.000 1.008 263 G CA 0.069 45.169 45.100 0.002 0.000 0.724 263 G HN 0.739 nan 8.290 nan 0.000 0.514 264 C N 0.512 119.784 119.300 -0.048 0.000 2.611 264 C HA 0.218 4.681 4.460 0.004 0.000 0.416 264 C C 2.428 177.359 174.990 -0.098 0.000 1.366 264 C CA 0.122 59.102 59.018 -0.063 0.000 1.761 264 C CB -0.169 27.534 27.740 -0.061 0.000 2.619 264 C HN 0.575 nan 8.230 nan 0.000 0.606 265 L N 1.708 122.872 121.223 -0.099 0.000 2.054 265 L HA -0.279 4.063 4.340 0.004 0.000 0.220 265 L C 2.619 179.438 176.870 -0.086 0.000 1.081 265 L CA 2.119 56.903 54.840 -0.093 0.000 0.780 265 L CB -0.392 41.630 42.059 -0.062 0.000 0.893 265 L HN 0.872 nan 8.230 nan 0.000 0.438 266 E N -1.157 118.969 120.200 -0.122 0.000 2.153 266 E HA -0.220 4.132 4.350 0.004 0.000 0.194 266 E C 1.813 178.400 176.600 -0.022 0.000 0.988 266 E CA 1.486 57.840 56.400 -0.077 0.000 0.811 266 E CB 0.081 29.697 29.700 -0.139 0.000 0.746 266 E HN 0.413 nan 8.360 nan 0.000 0.466 267 T N -0.049 114.478 114.554 -0.045 0.000 2.918 267 T HA -0.139 4.213 4.350 0.004 0.000 0.271 267 T C 1.410 176.105 174.700 -0.008 0.000 1.104 267 T CA 1.096 63.183 62.100 -0.021 0.000 1.114 267 T CB 0.014 68.853 68.868 -0.047 0.000 0.855 267 T HN 0.193 nan 8.240 nan 0.000 0.518 268 I N -1.676 118.882 120.570 -0.020 0.000 4.738 268 I HA 0.280 4.452 4.170 0.004 0.000 0.315 268 I C 2.023 178.156 176.117 0.027 0.000 1.214 268 I CA 0.239 61.534 61.300 -0.008 0.000 1.337 268 I CB 0.236 38.188 38.000 -0.080 0.000 1.433 268 I HN 0.034 nan 8.210 nan 0.000 0.472 269 A N 0.340 123.174 122.820 0.023 0.000 2.169 269 A HA 0.157 4.479 4.320 0.004 0.000 0.210 269 A C 1.223 178.839 177.584 0.054 0.000 1.168 269 A CA 0.451 52.516 52.037 0.047 0.000 0.813 269 A CB -0.305 18.723 19.000 0.047 0.000 0.861 269 A HN 0.367 nan 8.150 nan 0.000 0.481 270 S N 0.196 115.928 115.700 0.055 0.000 2.544 270 S HA 0.163 4.636 4.470 0.004 0.000 0.290 270 S C 1.217 175.870 174.600 0.088 0.000 1.276 270 S CA 0.027 58.276 58.200 0.082 0.000 1.075 270 S CB 0.711 63.975 63.200 0.107 0.000 0.849 270 S HN 0.390 nan 8.310 nan 0.000 0.494 271 V N 2.927 122.893 119.914 0.087 0.000 2.311 271 V HA -0.299 3.824 4.120 0.004 0.000 0.259 271 V C 2.371 178.530 176.094 0.108 0.000 1.086 271 V CA 2.628 64.978 62.300 0.085 0.000 1.078 271 V CB -0.791 31.067 31.823 0.057 0.000 0.668 271 V HN 0.925 nan 8.190 nan 0.000 0.452 272 D N -0.440 120.046 120.400 0.143 0.000 2.097 272 D HA -0.098 4.544 4.640 0.004 0.000 0.197 272 D C 2.353 178.701 176.300 0.080 0.000 0.984 272 D CA 1.754 55.826 54.000 0.119 0.000 0.826 272 D CB -0.106 40.766 40.800 0.121 0.000 0.973 272 D HN 0.536 nan 8.370 nan 0.000 0.460 273 S N 0.897 116.642 115.700 0.076 0.000 2.383 273 S HA -0.082 4.390 4.470 0.004 0.000 0.227 273 S C 2.288 176.919 174.600 0.053 0.000 1.026 273 S CA 0.429 58.664 58.200 0.059 0.000 0.981 273 S CB -0.157 63.074 63.200 0.052 0.000 0.818 273 S HN 0.264 nan 8.310 nan 0.000 0.472 274 I N 1.677 122.282 120.570 0.057 0.000 2.163 274 I HA -0.195 3.977 4.170 0.004 0.000 0.243 274 I C 2.166 178.308 176.117 0.042 0.000 1.085 274 I CA 1.288 62.619 61.300 0.051 0.000 1.347 274 I CB -0.427 37.605 38.000 0.053 0.000 1.044 274 I HN 0.248 nan 8.210 nan 0.000 0.408 275 L N 0.033 121.283 121.223 0.045 0.000 2.093 275 L HA -0.176 4.166 4.340 0.004 0.000 0.208 275 L C 2.462 179.350 176.870 0.029 0.000 1.085 275 L CA 1.289 56.150 54.840 0.034 0.000 0.755 275 L CB -0.686 41.398 42.059 0.041 0.000 0.904 275 L HN 0.287 nan 8.230 nan 0.000 0.435 276 E N 0.338 120.561 120.200 0.037 0.000 2.038 276 E HA -0.289 4.063 4.350 0.004 0.000 0.195 276 E C 2.112 178.729 176.600 0.029 0.000 1.000 276 E CA 1.531 57.950 56.400 0.033 0.000 0.803 276 E CB -0.184 29.538 29.700 0.038 0.000 0.750 276 E HN 0.257 nan 8.360 nan 0.000 0.448 277 L N 0.813 122.056 121.223 0.033 0.000 2.046 277 L HA -0.111 4.232 4.340 0.004 0.000 0.208 277 L C 2.192 179.075 176.870 0.022 0.000 1.077 277 L CA 2.077 56.936 54.840 0.031 0.000 0.747 277 L CB -0.608 41.474 42.059 0.039 0.000 0.896 277 L HN 0.044 nan 8.230 nan 0.000 0.432 278 A N -0.862 121.968 122.820 0.016 0.000 1.908 278 A HA -0.305 4.017 4.320 0.004 0.000 0.218 278 A C 2.290 179.866 177.584 -0.013 0.000 1.181 278 A CA 1.941 53.978 52.037 -0.001 0.000 0.627 278 A CB -0.810 18.186 19.000 -0.005 0.000 0.818 278 A HN 0.600 nan 8.150 nan 0.000 0.445 279 Q N -0.172 119.625 119.800 -0.005 0.000 2.050 279 Q HA -0.082 4.260 4.340 0.004 0.000 0.202 279 Q C 1.936 177.939 176.000 0.005 0.000 0.980 279 Q CA 1.623 57.421 55.803 -0.007 0.000 0.840 279 Q CB -0.508 28.234 28.738 0.007 0.000 0.898 279 Q HN 0.656 nan 8.270 nan 0.000 0.424 280 L N -0.204 121.028 121.223 0.015 0.000 1.970 280 L HA -0.251 4.091 4.340 0.004 0.000 0.212 280 L C 2.489 179.374 176.870 0.025 0.000 1.071 280 L CA 1.975 56.829 54.840 0.023 0.000 0.751 280 L CB -0.282 41.793 42.059 0.026 0.000 0.889 280 L HN 0.266 nan 8.230 nan 0.000 0.432 281 R N -0.685 119.827 120.500 0.020 0.000 2.148 281 R HA -0.118 4.224 4.340 0.004 0.000 0.223 281 R C 2.189 178.503 176.300 0.023 0.000 1.088 281 R CA 0.691 56.805 56.100 0.023 0.000 0.985 281 R CB -0.239 30.073 30.300 0.020 0.000 0.880 281 R HN 0.322 nan 8.270 nan 0.000 0.451 282 L N 1.184 122.404 121.223 -0.005 0.000 2.046 282 L HA -0.202 4.140 4.340 0.004 0.000 0.208 282 L C 1.676 178.594 176.870 0.080 0.000 1.077 282 L CA 1.255 56.069 54.840 -0.043 0.000 0.747 282 L CB -0.281 41.667 42.059 -0.185 0.000 0.896 282 L HN 0.182 nan 8.230 nan 0.000 0.432 283 N N -0.241 118.504 118.700 0.075 0.000 2.258 283 N HA -0.235 4.507 4.740 0.004 0.000 0.187 283 N C 1.646 177.221 175.510 0.109 0.000 1.012 283 N CA 1.342 54.461 53.050 0.115 0.000 0.870 283 N CB -0.088 38.440 38.487 0.069 0.000 0.977 283 N HN 0.567 nan 8.380 nan 0.000 0.434 284 Q N -1.226 118.627 119.800 0.088 0.000 2.396 284 Q HA 0.228 4.570 4.340 0.004 0.000 0.220 284 Q C 0.730 176.779 176.000 0.082 0.000 0.900 284 Q CA 0.065 55.909 55.803 0.068 0.000 0.925 284 Q CB 0.491 29.256 28.738 0.045 0.000 1.065 284 Q HN -0.006 nan 8.270 nan 0.000 0.535 291 H N 0.203 119.279 119.070 0.010 0.000 2.547 291 H HA 0.233 4.792 4.556 0.004 0.000 0.272 291 H C 1.888 177.221 175.328 0.008 0.000 0.971 291 H CA 1.212 57.266 56.048 0.009 0.000 1.245 291 H CB 0.733 30.500 29.762 0.008 0.000 1.440 291 H HN 0.375 nan 8.280 nan 0.000 0.540 292 G N 0.554 109.419 108.800 0.108 0.000 2.408 292 G HA2 -0.107 3.856 3.960 0.004 0.000 0.215 292 G HA3 -0.107 3.856 3.960 0.004 0.000 0.215 292 G C 0.418 175.344 174.900 0.044 0.000 1.156 292 G CA 0.103 45.243 45.100 0.067 0.000 0.793 292 G HN 0.297 nan 8.290 nan 0.000 0.535 293 Q N 0.766 120.584 119.800 0.030 0.000 2.215 293 Q HA 0.491 4.833 4.340 0.004 0.000 0.256 293 Q C -2.385 173.624 176.000 0.015 0.000 0.972 293 Q CA -2.221 53.593 55.803 0.019 0.000 0.889 293 Q CB 0.663 29.407 28.738 0.010 0.000 1.281 293 Q HN 0.047 nan 8.270 nan 0.000 0.456 294 P HA -0.049 nan 4.420 nan 0.000 0.269 294 P C -0.753 176.549 177.300 0.003 0.000 1.217 294 P CA -0.159 62.948 63.100 0.011 0.000 0.783 294 P CB 0.661 32.369 31.700 0.013 0.000 0.898 295 L N 2.237 123.460 121.223 -0.001 0.000 2.334 295 L HA 0.178 4.520 4.340 0.004 0.000 0.286 295 L C 0.677 177.551 176.870 0.007 0.000 1.108 295 L CA 0.003 54.838 54.840 -0.007 0.000 0.875 295 L CB -0.119 41.929 42.059 -0.017 0.000 1.246 295 L HN 0.577 nan 8.230 nan 0.000 0.439 296 T N -0.201 114.357 114.554 0.008 0.000 2.950 296 T HA 0.244 4.596 4.350 0.004 0.000 0.288 296 T C 1.209 175.919 174.700 0.016 0.000 1.035 296 T CA -0.756 61.355 62.100 0.018 0.000 1.028 296 T CB 2.031 70.910 68.868 0.018 0.000 1.109 296 T HN 0.113 nan 8.240 nan 0.000 0.514 297 V N 1.238 121.166 119.914 0.023 0.000 2.469 297 V HA -0.117 4.005 4.120 0.004 0.000 0.251 297 V C 2.414 178.515 176.094 0.011 0.000 1.064 297 V CA 2.454 64.766 62.300 0.020 0.000 1.066 297 V CB -0.863 30.973 31.823 0.023 0.000 0.667 297 V HN 1.025 nan 8.190 nan 0.000 0.461 298 D N -0.290 120.116 120.400 0.010 0.000 2.097 298 D HA -0.134 4.508 4.640 0.004 0.000 0.197 298 D C 2.401 178.702 176.300 0.000 0.000 0.984 298 D CA 1.547 55.550 54.000 0.005 0.000 0.826 298 D CB -0.117 40.686 40.800 0.006 0.000 0.973 298 D HN 0.540 nan 8.370 nan 0.000 0.460 299 S N 0.113 115.814 115.700 0.001 0.000 2.368 299 S HA -0.165 4.307 4.470 0.004 0.000 0.225 299 S C 2.260 176.856 174.600 -0.007 0.000 1.030 299 S CA 0.591 58.789 58.200 -0.003 0.000 0.999 299 S CB -0.800 62.398 63.200 -0.003 0.000 0.844 299 S HN 0.325 nan 8.310 nan 0.000 0.459 300 L N 0.793 122.012 121.223 -0.006 0.000 1.997 300 L HA -0.182 4.160 4.340 0.004 0.000 0.216 300 L C 2.683 179.549 176.870 -0.007 0.000 1.074 300 L CA 2.223 57.059 54.840 -0.007 0.000 0.763 300 L CB -1.021 41.038 42.059 -0.000 0.000 0.890 300 L HN 0.520 nan 8.230 nan 0.000 0.434 301 C N -0.989 118.306 119.300 -0.007 0.000 2.457 301 C HA -0.115 4.347 4.460 0.004 0.000 0.278 301 C C 2.690 177.670 174.990 -0.018 0.000 1.309 301 C CA 0.178 59.188 59.018 -0.015 0.000 1.735 301 C CB -0.646 27.084 27.740 -0.018 0.000 1.992 301 C HN 0.546 nan 8.230 nan 0.000 0.493 302 Q N 0.607 120.399 119.800 -0.013 0.000 2.096 302 Q HA -0.179 4.163 4.340 0.004 0.000 0.204 302 Q C 2.482 178.475 176.000 -0.011 0.000 0.982 302 Q CA 1.906 57.702 55.803 -0.012 0.000 0.850 302 Q CB -0.261 28.472 28.738 -0.007 0.000 0.901 302 Q HN 0.760 nan 8.270 nan 0.000 0.422 303 A N 0.694 123.508 122.820 -0.009 0.000 1.929 303 A HA -0.008 4.314 4.320 0.004 0.000 0.216 303 A C 2.281 179.860 177.584 -0.008 0.000 1.176 303 A CA 1.273 53.306 52.037 -0.007 0.000 0.628 303 A CB -0.611 18.384 19.000 -0.008 0.000 0.816 303 A HN 0.393 nan 8.150 nan 0.000 0.444 304 A N 0.106 122.920 122.820 -0.010 0.000 1.917 304 A HA -0.143 4.179 4.320 0.004 0.000 0.219 304 A C 2.124 179.699 177.584 -0.015 0.000 1.182 304 A CA 1.709 53.739 52.037 -0.011 0.000 0.633 304 A CB -0.665 18.327 19.000 -0.013 0.000 0.819 304 A HN 0.491 nan 8.150 nan 0.000 0.448 305 L N -1.574 119.637 121.223 -0.020 0.000 2.217 305 L HA -0.068 4.274 4.340 0.004 0.000 0.211 305 L C 2.433 179.294 176.870 -0.015 0.000 1.107 305 L CA 0.853 55.679 54.840 -0.023 0.000 0.783 305 L CB -0.363 41.678 42.059 -0.030 0.000 0.919 305 L HN 0.310 nan 8.230 nan 0.000 0.442 306 R N 0.413 120.907 120.500 -0.011 0.000 2.328 306 R HA 0.061 4.404 4.340 0.004 0.000 0.200 306 R C 1.054 177.352 176.300 -0.003 0.000 0.983 306 R CA 0.552 56.649 56.100 -0.006 0.000 1.062 306 R CB -0.078 30.221 30.300 -0.003 0.000 0.956 306 R HN 0.440 nan 8.270 nan 0.000 0.479 307 G N 2.188 110.985 108.800 -0.005 0.000 2.182 307 G HA2 -0.313 3.649 3.960 0.004 0.000 0.248 307 G HA3 -0.313 3.649 3.960 0.004 0.000 0.248 307 G C -0.409 174.491 174.900 0.001 0.000 1.042 307 G CA 0.305 45.404 45.100 -0.002 0.000 0.775 307 G HN 0.496 nan 8.290 nan 0.000 0.501 308 D N -0.576 119.825 120.400 0.001 0.000 2.425 308 D HA 0.382 5.024 4.640 0.004 0.000 0.247 308 D C 1.948 178.251 176.300 0.005 0.000 1.147 308 D CA -0.337 53.666 54.000 0.005 0.000 0.879 308 D CB 0.347 41.150 40.800 0.003 0.000 1.179 308 D HN 0.123 nan 8.370 nan 0.000 0.456 309 L N 3.401 124.630 121.223 0.009 0.000 2.046 309 L HA -0.142 4.200 4.340 0.004 0.000 0.208 309 L C 2.335 179.210 176.870 0.009 0.000 1.077 309 L CA 0.694 55.539 54.840 0.009 0.000 0.747 309 L CB -0.406 41.659 42.059 0.011 0.000 0.896 309 L HN 0.634 nan 8.230 nan 0.000 0.432 310 L N -0.467 120.762 121.223 0.009 0.000 2.027 310 L HA -0.185 4.157 4.340 0.004 0.000 0.206 310 L C 2.815 179.688 176.870 0.005 0.000 1.074 310 L CA 1.373 56.218 54.840 0.008 0.000 0.745 310 L CB -0.343 41.718 42.059 0.003 0.000 0.898 310 L HN 0.261 nan 8.230 nan 0.000 0.433 311 A N -0.217 122.603 122.820 -0.000 0.000 1.877 311 A HA -0.285 4.037 4.320 0.004 0.000 0.216 311 A C 2.336 179.922 177.584 0.003 0.000 1.186 311 A CA 2.056 54.093 52.037 -0.001 0.000 0.620 311 A CB -0.503 18.493 19.000 -0.006 0.000 0.822 311 A HN 0.368 nan 8.150 nan 0.000 0.443 312 K N -0.646 119.756 120.400 0.002 0.000 2.057 312 K HA -0.219 4.103 4.320 0.004 0.000 0.207 312 K C 1.792 178.395 176.600 0.006 0.000 1.049 312 K CA 1.688 57.976 56.287 0.002 0.000 0.931 312 K CB -0.227 32.273 32.500 0.000 0.000 0.714 312 K HN 0.456 nan 8.250 nan 0.000 0.440 313 D N 0.660 121.064 120.400 0.008 0.000 2.092 313 D HA -0.172 4.470 4.640 0.004 0.000 0.193 313 D C 1.819 178.128 176.300 0.016 0.000 0.994 313 D CA 1.508 55.514 54.000 0.010 0.000 0.828 313 D CB -0.059 40.748 40.800 0.012 0.000 0.963 313 D HN 0.226 nan 8.370 nan 0.000 0.450 314 I N 0.340 120.923 120.570 0.020 0.000 2.208 314 I HA -0.258 3.914 4.170 0.004 0.000 0.245 314 I C 2.144 178.282 176.117 0.036 0.000 1.097 314 I CA 0.512 61.831 61.300 0.031 0.000 1.363 314 I CB -0.251 37.766 38.000 0.028 0.000 1.051 314 I HN 0.179 nan 8.210 nan 0.000 0.413 315 I N 0.579 121.165 120.570 0.026 0.000 2.142 315 I HA -0.234 3.938 4.170 0.004 0.000 0.240 315 I C 2.660 178.797 176.117 0.032 0.000 1.078 315 I CA 1.746 63.063 61.300 0.030 0.000 1.343 315 I CB -1.761 36.248 38.000 0.016 0.000 1.046 315 I HN 0.235 nan 8.210 nan 0.000 0.405 316 T N 1.107 115.672 114.554 0.019 0.000 2.653 316 T HA -0.184 4.168 4.350 0.004 0.000 0.268 316 T C 1.957 176.655 174.700 -0.003 0.000 1.035 316 T CA 1.753 63.859 62.100 0.010 0.000 1.154 316 T CB -0.878 67.990 68.868 0.001 0.000 0.862 316 T HN 0.557 nan 8.240 nan 0.000 0.441 317 G N 0.899 109.700 108.800 0.003 0.000 2.491 317 G HA2 -0.209 3.753 3.960 0.004 0.000 0.218 317 G HA3 -0.209 3.753 3.960 0.004 0.000 0.218 317 G C 1.722 176.640 174.900 0.031 0.000 1.180 317 G CA 1.053 46.148 45.100 -0.009 0.000 0.774 317 G HN 0.451 nan 8.290 nan 0.000 0.562 318 V N 1.573 121.542 119.914 0.091 0.000 2.343 318 V HA -0.075 4.047 4.120 0.004 0.000 0.247 318 V C 3.153 179.308 176.094 0.102 0.000 1.051 318 V CA 2.024 64.404 62.300 0.133 0.000 1.036 318 V CB -1.047 30.837 31.823 0.102 0.000 0.654 318 V HN 0.464 nan 8.190 nan 0.000 0.451 319 G N -0.315 108.522 108.800 0.062 0.000 2.446 319 G HA2 -0.249 3.713 3.960 0.004 0.000 0.217 319 G HA3 -0.249 3.713 3.960 0.004 0.000 0.217 319 G C 1.743 176.659 174.900 0.027 0.000 1.168 319 G CA 1.097 46.232 45.100 0.058 0.000 0.771 319 G HN 0.620 nan 8.290 nan 0.000 0.551 320 A N -0.138 122.659 122.820 -0.038 0.000 1.969 320 A HA -0.009 4.313 4.320 0.004 0.000 0.218 320 A C 2.165 179.701 177.584 -0.080 0.000 1.169 320 A CA 1.621 53.605 52.037 -0.088 0.000 0.635 320 A CB -0.576 18.322 19.000 -0.169 0.000 0.810 320 A HN 0.432 nan 8.150 nan 0.000 0.445 321 H N -0.374 118.714 119.070 0.030 0.000 2.299 321 H HA -0.084 4.475 4.556 0.005 0.000 0.302 321 H C 2.375 177.716 175.328 0.023 0.000 1.078 321 H CA 1.862 57.926 56.048 0.027 0.000 1.323 321 H CB -0.699 29.080 29.762 0.028 0.000 1.381 321 H HN 0.262 nan 8.280 nan 0.000 0.498 322 V N 0.568 120.571 119.914 0.149 0.000 2.287 322 V HA -0.212 3.911 4.120 0.004 0.000 0.248 322 V C 2.783 178.911 176.094 0.056 0.000 1.053 322 V CA 1.820 64.170 62.300 0.084 0.000 1.027 322 V CB -1.248 30.614 31.823 0.065 0.000 0.646 322 V HN 0.551 nan 8.190 nan 0.000 0.447 323 G N -0.163 108.665 108.800 0.046 0.000 2.505 323 G HA2 -0.368 3.594 3.960 0.004 0.000 0.220 323 G HA3 -0.368 3.594 3.960 0.004 0.000 0.220 323 G C 1.712 176.631 174.900 0.032 0.000 1.145 323 G CA 1.239 46.356 45.100 0.028 0.000 0.761 323 G HN 0.477 nan 8.290 nan 0.000 0.571 324 R N -0.195 120.331 120.500 0.045 0.000 2.081 324 R HA -0.043 4.299 4.340 0.004 0.000 0.235 324 R C 2.421 178.750 176.300 0.047 0.000 1.131 324 R CA 1.229 57.357 56.100 0.047 0.000 0.960 324 R CB -0.214 30.125 30.300 0.065 0.000 0.856 324 R HN 0.310 nan 8.270 nan 0.000 0.436 325 I N 0.861 121.463 120.570 0.054 0.000 2.286 325 I HA -0.201 3.971 4.170 0.004 0.000 0.245 325 I C 2.150 178.295 176.117 0.047 0.000 1.104 325 I CA 0.813 62.142 61.300 0.049 0.000 1.397 325 I CB -1.070 36.959 38.000 0.048 0.000 1.072 325 I HN 0.222 nan 8.210 nan 0.000 0.417 326 L N 1.128 122.374 121.223 0.039 0.000 2.131 326 L HA -0.100 4.242 4.340 0.004 0.000 0.210 326 L C 2.648 179.543 176.870 0.042 0.000 1.092 326 L CA 1.760 56.620 54.840 0.034 0.000 0.759 326 L CB -1.337 40.727 42.059 0.008 0.000 0.903 326 L HN 0.198 nan 8.230 nan 0.000 0.435 327 A N -0.610 122.232 122.820 0.037 0.000 1.877 327 A HA -0.106 4.216 4.320 0.004 0.000 0.216 327 A C 1.575 179.185 177.584 0.043 0.000 1.186 327 A CA 0.797 52.857 52.037 0.038 0.000 0.620 327 A CB -0.606 18.411 19.000 0.029 0.000 0.822 327 A HN 0.294 nan 8.150 nan 0.000 0.443 331 N N 0.871 119.662 118.700 0.151 0.000 2.289 331 N HA -0.001 4.741 4.740 0.004 0.000 0.184 331 N C 1.591 177.145 175.510 0.073 0.000 1.016 331 N CA 1.424 54.595 53.050 0.201 0.000 0.872 331 N CB -0.133 38.400 38.487 0.078 0.000 0.973 331 N HN 0.483 nan 8.380 nan 0.000 0.433 332 L N -1.617 119.535 121.223 -0.119 0.000 2.109 332 L HA 0.002 4.344 4.340 0.004 0.000 0.207 332 L C 1.190 177.747 176.870 -0.522 0.000 1.086 332 L CA 1.083 55.666 54.840 -0.429 0.000 0.760 332 L CB -0.042 41.538 42.059 -0.799 0.000 0.910 332 L HN 0.099 nan 8.230 nan 0.000 0.437 333 F N -2.788 117.124 119.950 -0.063 0.000 2.784 333 F HA 0.166 4.694 4.527 0.002 0.000 0.316 333 F C 0.871 176.537 175.800 -0.223 0.000 1.026 333 F CA -0.351 57.578 58.000 -0.118 0.000 1.188 333 F CB 0.405 39.349 39.000 -0.094 0.000 0.999 333 F HN -0.004 nan 8.300 nan 0.000 0.605 334 N N 2.052 120.668 118.700 -0.139 0.000 2.708 334 N HA -0.121 4.621 4.740 0.004 0.000 0.255 334 N C -2.814 172.575 175.510 -0.201 0.000 1.046 334 N CA -0.388 52.404 53.050 -0.431 0.000 0.715 334 N CB -0.306 37.561 38.487 -1.033 0.000 0.895 334 N HN 0.058 nan 8.380 nan 0.000 0.545 335 P HA 0.063 nan 4.420 nan 0.000 0.276 335 P C -0.122 177.131 177.300 -0.079 0.000 1.261 335 P CA 0.038 63.089 63.100 -0.081 0.000 0.800 335 P CB 0.617 32.274 31.700 -0.071 0.000 1.066 336 Q N -0.583 119.173 119.800 -0.073 0.000 2.376 336 Q HA 0.134 4.476 4.340 0.004 0.000 0.206 336 Q C 0.244 176.210 176.000 -0.057 0.000 0.921 336 Q CA 0.880 56.651 55.803 -0.054 0.000 0.911 336 Q CB 0.273 28.981 28.738 -0.051 0.000 1.032 336 Q HN 0.390 nan 8.270 nan 0.000 0.510 337 K N 0.739 121.093 120.400 -0.078 0.000 2.468 337 K HA 0.506 4.829 4.320 0.004 0.000 0.252 337 K C -1.196 175.334 176.600 -0.116 0.000 0.932 337 K CA -0.468 55.764 56.287 -0.092 0.000 0.794 337 K CB 2.557 35.001 32.500 -0.094 0.000 1.241 337 K HN -0.059 nan 8.250 nan 0.000 0.428 338 I N 4.048 124.535 120.570 -0.138 0.000 2.389 338 I HA 0.335 4.507 4.170 0.004 0.000 0.288 338 I C -0.556 175.422 176.117 -0.232 0.000 0.999 338 I CA -0.832 60.365 61.300 -0.173 0.000 1.129 338 I CB 1.137 39.039 38.000 -0.163 0.000 1.288 338 I HN 0.314 nan 8.210 nan 0.000 0.444 339 L N 6.950 128.033 121.223 -0.234 0.000 2.307 339 L HA 0.537 4.879 4.340 0.004 0.000 0.284 339 L C -0.646 176.056 176.870 -0.281 0.000 1.023 339 L CA -0.823 53.861 54.840 -0.259 0.000 0.810 339 L CB 2.009 43.919 42.059 -0.247 0.000 1.231 339 L HN 0.439 nan 8.230 nan 0.000 0.423 340 I N 2.069 122.473 120.570 -0.277 0.000 2.336 340 I HA 0.402 4.574 4.170 0.004 0.000 0.292 340 I C 0.625 176.677 176.117 -0.109 0.000 0.991 340 I CA 0.186 61.382 61.300 -0.174 0.000 1.227 340 I CB 1.780 39.733 38.000 -0.078 0.000 1.366 340 I HN 0.561 nan 8.210 nan 0.000 0.466 341 G N 3.875 112.553 108.800 -0.203 0.000 2.522 341 G HA2 0.595 4.557 3.960 0.004 0.000 0.318 341 G HA3 0.595 4.557 3.960 0.004 0.000 0.318 341 G C -0.793 174.173 174.900 0.110 0.000 1.192 341 G CA -0.246 44.757 45.100 -0.161 0.000 0.988 341 G HN 0.560 nan 8.290 nan 0.000 0.480 342 S N 2.382 118.203 115.700 0.202 0.000 2.565 342 S HA 0.570 5.042 4.470 0.004 0.000 0.274 342 S C -2.300 172.378 174.600 0.130 0.000 1.144 342 S CA -0.702 57.593 58.200 0.158 0.000 0.849 342 S CB 1.835 65.105 63.200 0.116 0.000 1.103 342 S HN 0.113 nan 8.310 nan 0.000 0.455 343 P HA 0.043 nan 4.420 nan 0.000 0.219 343 P C 1.284 178.610 177.300 0.042 0.000 1.146 343 P CA 0.870 63.999 63.100 0.049 0.000 0.808 343 P CB -0.038 31.673 31.700 0.017 0.000 0.779 344 L N -1.220 120.035 121.223 0.054 0.000 2.353 344 L HA -0.098 4.244 4.340 0.004 0.000 0.220 344 L C 2.071 178.954 176.870 0.022 0.000 1.133 344 L CA 0.905 55.771 54.840 0.044 0.000 0.798 344 L CB -0.956 41.145 42.059 0.070 0.000 0.922 344 L HN -0.032 nan 8.230 nan 0.000 0.445 345 S N -0.270 115.464 115.700 0.056 0.000 2.465 345 S HA -0.115 4.357 4.470 0.004 0.000 0.241 345 S C 1.861 176.388 174.600 -0.121 0.000 1.000 345 S CA 0.844 59.039 58.200 -0.007 0.000 0.964 345 S CB -0.116 63.160 63.200 0.126 0.000 0.763 345 S HN 0.357 nan 8.310 nan 0.000 0.512 346 K N 1.930 122.293 120.400 -0.061 0.000 2.147 346 K HA 0.073 4.396 4.320 0.004 0.000 0.205 346 K C 1.514 178.045 176.600 -0.116 0.000 1.049 346 K CA 0.989 57.233 56.287 -0.071 0.000 0.936 346 K CB -0.585 31.896 32.500 -0.032 0.000 0.722 346 K HN 0.372 nan 8.250 nan 0.000 0.446 347 A N 0.800 123.544 122.820 -0.126 0.000 2.476 347 A HA 0.395 4.717 4.320 0.004 0.000 0.263 347 A C 1.875 179.296 177.584 -0.271 0.000 1.342 347 A CA 0.650 52.602 52.037 -0.140 0.000 0.926 347 A CB -0.411 18.544 19.000 -0.074 0.000 1.019 347 A HN 0.186 nan 8.150 nan 0.000 0.515 348 A N 0.561 123.094 122.820 -0.480 0.000 1.917 348 A HA -0.231 4.092 4.320 0.004 0.000 0.219 348 A C 1.689 178.929 177.584 -0.574 0.000 1.182 348 A CA 2.010 53.427 52.037 -1.034 0.000 0.633 348 A CB -0.494 17.700 19.000 -1.343 0.000 0.819 348 A HN 0.441 nan 8.150 nan 0.000 0.448 349 D N -0.481 119.741 120.400 -0.297 0.000 2.239 349 D HA -0.138 4.504 4.640 0.004 0.000 0.202 349 D C 1.670 177.920 176.300 -0.083 0.000 0.993 349 D CA 1.252 55.168 54.000 -0.139 0.000 0.874 349 D CB -0.143 40.600 40.800 -0.095 0.000 0.922 349 D HN 0.609 nan 8.370 nan 0.000 0.464 350 I N -0.698 119.815 120.570 -0.095 0.000 2.899 350 I HA -0.052 4.120 4.170 0.004 0.000 0.257 350 I C 2.337 178.455 176.117 0.003 0.000 1.115 350 I CA -0.071 61.207 61.300 -0.037 0.000 1.451 350 I CB 0.157 38.138 38.000 -0.033 0.000 1.251 350 I HN -0.051 nan 8.210 nan 0.000 0.456 351 L N 0.785 122.001 121.223 -0.011 0.000 2.012 351 L HA -0.242 4.100 4.340 0.004 0.000 0.210 351 L C 2.599 179.646 176.870 0.296 0.000 1.073 351 L CA 2.115 57.027 54.840 0.120 0.000 0.748 351 L CB -0.319 41.827 42.059 0.145 0.000 0.891 351 L HN 0.215 nan 8.230 nan 0.000 0.431 352 F N 0.057 120.007 119.950 0.000 0.000 2.113 352 F HA -0.135 4.392 4.527 0.001 0.000 0.297 352 F C -0.020 175.780 175.800 0.000 0.000 1.103 352 F CA 0.323 58.322 58.000 -0.001 0.000 1.248 352 F CB -1.710 37.287 39.000 -0.004 0.000 0.999 352 F HN 0.191 nan 8.300 nan 0.000 0.475 353 P HA -0.144 nan 4.420 nan 0.000 0.218 353 P C 1.676 179.023 177.300 0.078 0.000 1.148 353 P CA 1.141 64.305 63.100 0.106 0.000 0.822 353 P CB -0.029 31.712 31.700 0.068 0.000 0.784 354 V N -0.743 119.219 119.914 0.081 0.000 2.453 354 V HA -0.187 3.935 4.120 0.004 0.000 0.247 354 V C 2.268 178.390 176.094 0.048 0.000 1.048 354 V CA 1.460 63.791 62.300 0.051 0.000 1.049 354 V CB -0.881 30.968 31.823 0.043 0.000 0.672 354 V HN 0.067 nan 8.190 nan 0.000 0.457 355 I N -0.500 120.111 120.570 0.068 0.000 2.286 355 I HA -0.180 3.992 4.170 0.004 0.000 0.245 355 I C 2.587 178.716 176.117 0.020 0.000 1.104 355 I CA 1.328 62.650 61.300 0.036 0.000 1.397 355 I CB -0.402 37.609 38.000 0.018 0.000 1.072 355 I HN 0.213 nan 8.210 nan 0.000 0.417 356 S N 0.439 116.157 115.700 0.030 0.000 2.383 356 S HA -0.194 4.279 4.470 0.004 0.000 0.229 356 S C 1.541 176.155 174.600 0.024 0.000 1.030 356 S CA 1.479 59.693 58.200 0.022 0.000 1.002 356 S CB -0.255 62.968 63.200 0.038 0.000 0.829 356 S HN 0.417 nan 8.310 nan 0.000 0.467 357 D N 0.765 121.181 120.400 0.027 0.000 2.149 357 D HA 0.042 4.684 4.640 0.004 0.000 0.201 357 D C 2.177 178.485 176.300 0.013 0.000 0.972 357 D CA 0.652 54.664 54.000 0.020 0.000 0.835 357 D CB -0.469 40.342 40.800 0.019 0.000 0.966 357 D HN 0.223 nan 8.370 nan 0.000 0.476 358 S N 0.652 116.360 115.700 0.013 0.000 2.359 358 S HA -0.152 4.321 4.470 0.004 0.000 0.223 358 S C 2.192 176.800 174.600 0.013 0.000 1.039 358 S CA 0.742 58.948 58.200 0.010 0.000 1.042 358 S CB -0.305 62.902 63.200 0.010 0.000 0.915 358 S HN 0.256 nan 8.310 nan 0.000 0.439 359 I N 1.329 121.908 120.570 0.015 0.000 2.118 359 I HA -0.268 3.905 4.170 0.004 0.000 0.241 359 I C 2.670 178.799 176.117 0.019 0.000 1.070 359 I CA 1.450 62.762 61.300 0.020 0.000 1.327 359 I CB -0.357 37.654 38.000 0.018 0.000 1.034 359 I HN 0.204 nan 8.210 nan 0.000 0.405 360 R N 0.011 120.521 120.500 0.016 0.000 2.120 360 R HA -0.227 4.115 4.340 0.004 0.000 0.234 360 R C 2.280 178.583 176.300 0.004 0.000 1.123 360 R CA 1.328 57.434 56.100 0.011 0.000 0.975 360 R CB -0.326 29.981 30.300 0.012 0.000 0.866 360 R HN 0.360 nan 8.270 nan 0.000 0.446 361 Q N 0.440 120.243 119.800 0.005 0.000 2.083 361 Q HA -0.100 4.242 4.340 0.004 0.000 0.198 361 Q C 1.531 177.530 176.000 -0.002 0.000 0.969 361 Q CA 1.489 57.292 55.803 0.000 0.000 0.838 361 Q CB 0.398 29.137 28.738 0.001 0.000 0.900 361 Q HN 0.306 nan 8.270 nan 0.000 0.436 362 Q N -1.516 118.286 119.800 0.003 0.000 2.350 362 Q HA 0.371 4.713 4.340 0.004 0.000 0.225 362 Q C -0.468 175.534 176.000 0.002 0.000 0.878 362 Q CA 0.183 55.988 55.803 0.003 0.000 0.935 362 Q CB 1.154 29.897 28.738 0.009 0.000 1.099 362 Q HN 0.247 nan 8.270 nan 0.000 0.527 363 A N 0.255 123.080 122.820 0.008 0.000 2.282 363 A HA 0.458 4.780 4.320 0.004 0.000 0.324 363 A C -0.750 176.825 177.584 -0.015 0.000 1.119 363 A CA -0.665 51.381 52.037 0.015 0.000 0.880 363 A CB 0.543 19.578 19.000 0.057 0.000 1.294 363 A HN 0.271 nan 8.150 nan 0.000 0.493 364 L N 1.398 122.592 121.223 -0.049 0.000 2.562 364 L HA 0.089 4.431 4.340 0.004 0.000 0.271 364 L C -1.470 175.331 176.870 -0.115 0.000 1.167 364 L CA -1.220 53.521 54.840 -0.165 0.000 0.917 364 L CB 1.059 42.854 42.059 -0.441 0.000 1.187 364 L HN 0.497 nan 8.230 nan 0.000 0.482 365 P HA -0.279 nan 4.420 nan 0.000 0.219 365 P C 1.329 178.593 177.300 -0.059 0.000 1.158 365 P CA 2.189 65.249 63.100 -0.066 0.000 0.895 365 P CB 0.203 31.859 31.700 -0.072 0.000 0.792 366 A N -1.863 120.898 122.820 -0.099 0.000 1.948 366 A HA -0.240 4.083 4.320 0.004 0.000 0.220 366 A C 1.927 179.599 177.584 0.147 0.000 1.177 366 A CA 1.759 53.776 52.037 -0.034 0.000 0.636 366 A CB -1.718 17.226 19.000 -0.094 0.000 0.815 366 A HN 0.173 nan 8.150 nan 0.000 0.449 367 Y N 0.251 120.532 120.300 -0.033 0.000 2.490 367 Y HA 0.021 4.572 4.550 0.002 0.000 0.285 367 Y C 2.792 178.679 175.900 -0.021 0.000 1.117 367 Y CA 0.390 58.478 58.100 -0.020 0.000 1.262 367 Y CB -0.729 37.724 38.460 -0.012 0.000 1.043 367 Y HN 0.462 nan 8.280 nan 0.000 0.553 368 S N -0.913 114.859 115.700 0.120 0.000 2.528 368 S HA -0.084 4.389 4.470 0.004 0.000 0.219 368 S C 1.813 176.427 174.600 0.023 0.000 0.985 368 S CA 0.387 58.623 58.200 0.061 0.000 0.914 368 S CB -0.165 63.056 63.200 0.034 0.000 0.776 368 S HN 0.465 nan 8.310 nan 0.000 0.526 369 Q N 1.082 120.868 119.800 -0.023 0.000 2.030 369 Q HA -0.169 4.173 4.340 0.004 0.000 0.204 369 Q C 0.563 176.494 176.000 -0.116 0.000 0.986 369 Q CA 1.559 57.271 55.803 -0.152 0.000 0.843 369 Q CB -0.041 28.522 28.738 -0.292 0.000 0.904 369 Q HN 0.634 nan 8.270 nan 0.000 0.420 370 H N -0.693 118.392 119.070 0.024 0.000 2.505 370 H HA 0.337 4.893 4.556 0.001 0.000 0.260 370 H C -1.008 174.320 175.328 -0.001 0.000 1.168 370 H CA -0.361 55.693 56.048 0.010 0.000 0.945 370 H CB 0.029 29.796 29.762 0.008 0.000 1.800 370 H HN 0.245 nan 8.280 nan 0.000 0.586 371 I N 2.119 122.756 120.570 0.111 0.000 2.353 371 I HA 0.182 4.354 4.170 0.004 0.000 0.293 371 I C -0.032 176.095 176.117 0.017 0.000 0.992 371 I CA -0.534 60.794 61.300 0.045 0.000 1.268 371 I CB 0.751 38.767 38.000 0.027 0.000 1.387 371 I HN 0.147 nan 8.210 nan 0.000 0.478 372 S N 6.819 122.509 115.700 -0.016 0.000 2.433 372 S HA 0.483 4.955 4.470 0.004 0.000 0.310 372 S C -0.677 173.866 174.600 -0.094 0.000 1.097 372 S CA -0.725 57.453 58.200 -0.036 0.000 1.103 372 S CB 1.469 64.650 63.200 -0.032 0.000 0.992 372 S HN 0.356 nan 8.310 nan 0.000 0.469 373 V N 5.056 124.894 119.914 -0.126 0.000 2.304 373 V HA 0.356 4.479 4.120 0.004 0.000 0.262 373 V C 0.390 176.256 176.094 -0.380 0.000 1.061 373 V CA -0.397 61.725 62.300 -0.296 0.000 0.872 373 V CB -0.329 31.308 31.823 -0.309 0.000 1.077 373 V HN 1.013 nan 8.190 nan 0.000 0.480 374 E N 2.818 122.821 120.200 -0.329 0.000 2.299 374 E HA 0.663 5.015 4.350 0.004 0.000 0.260 374 E C -0.491 176.021 176.600 -0.147 0.000 0.944 374 E CA -0.820 55.503 56.400 -0.129 0.000 0.815 374 E CB 1.832 31.522 29.700 -0.017 0.000 1.252 374 E HN 0.358 nan 8.360 nan 0.000 0.418 375 S N 0.142 115.975 115.700 0.222 0.000 2.584 375 S HA 0.118 4.590 4.470 0.004 0.000 0.273 375 S C 0.034 174.663 174.600 0.047 0.000 1.311 375 S CA -0.374 57.966 58.200 0.233 0.000 1.034 375 S CB 1.010 64.405 63.200 0.325 0.000 0.939 375 S HN 0.537 nan 8.310 nan 0.000 0.513 376 T N 2.303 116.869 114.554 0.019 0.000 2.946 376 T HA 0.029 4.381 4.350 0.004 0.000 0.311 376 T C 1.190 175.905 174.700 0.024 0.000 1.063 376 T CA 0.285 62.375 62.100 -0.016 0.000 1.139 376 T CB 0.540 69.407 68.868 -0.002 0.000 0.994 376 T HN 0.827 nan 8.240 nan 0.000 0.547 377 Q N 2.756 122.478 119.800 -0.130 0.000 2.187 377 Q HA 0.087 4.429 4.340 0.004 0.000 0.199 377 Q C -0.340 175.520 176.000 -0.232 0.000 0.957 377 Q CA 0.868 56.492 55.803 -0.300 0.000 0.857 377 Q CB 0.177 28.551 28.738 -0.608 0.000 0.929 377 Q HN 0.746 nan 8.270 nan 0.000 0.453 378 F N -0.542 119.578 119.950 0.283 0.000 2.470 378 F HA 0.225 4.755 4.527 0.005 0.000 0.329 378 F C 1.237 177.195 175.800 0.263 0.000 1.072 378 F CA -0.805 57.316 58.000 0.202 0.000 0.989 378 F CB 1.608 40.692 39.000 0.141 0.000 1.193 378 F HN -0.077 nan 8.300 nan 0.000 0.481 379 S N -0.082 115.753 115.700 0.225 0.000 2.575 379 S HA 0.010 4.482 4.470 0.004 0.000 0.215 379 S C 0.442 174.721 174.600 -0.535 0.000 0.966 379 S CA -0.017 58.222 58.200 0.065 0.000 0.911 379 S CB -0.720 62.501 63.200 0.036 0.000 0.780 379 S HN 0.767 nan 8.310 nan 0.000 0.514 380 N N 2.175 120.404 118.700 -0.786 0.000 2.669 380 N HA -0.142 4.600 4.740 0.004 0.000 0.266 380 N C -0.676 174.457 175.510 -0.630 0.000 1.024 380 N CA 0.510 52.967 53.050 -0.988 0.000 0.766 380 N CB -0.852 36.587 38.487 -1.747 0.000 0.898 380 N HN 0.539 nan 8.380 nan 0.000 0.548 381 Q N 0.286 119.828 119.800 -0.430 0.000 2.317 381 Q HA 0.525 4.867 4.340 0.004 0.000 0.229 381 Q C 1.654 177.354 176.000 -0.501 0.000 0.984 381 Q CA 0.343 55.905 55.803 -0.401 0.000 0.911 381 Q CB 0.340 28.936 28.738 -0.237 0.000 1.217 381 Q HN 0.541 nan 8.270 nan 0.000 0.501 382 G N 1.086 109.441 108.800 -0.740 0.000 2.568 382 G HA2 -0.335 3.627 3.960 0.004 0.000 0.334 382 G HA3 -0.335 3.627 3.960 0.004 0.000 0.334 382 G C 0.161 174.768 174.900 -0.488 0.000 1.348 382 G CA 0.817 45.483 45.100 -0.724 0.000 0.949 382 G HN 0.871 nan 8.290 nan 0.000 0.532 386 G N 1.016 109.810 108.800 -0.009 0.000 2.606 386 G HA2 -0.118 3.844 3.960 0.004 0.000 0.221 386 G HA3 -0.118 3.844 3.960 0.004 0.000 0.221 386 G C 1.826 176.757 174.900 0.052 0.000 1.152 386 G CA 3.068 48.205 45.100 0.060 0.000 0.765 386 G HN 1.645 nan 8.290 nan 0.000 0.595 387 A N 1.019 123.888 122.820 0.082 0.000 1.969 387 A HA -0.057 4.266 4.320 0.004 0.000 0.223 387 A C 2.838 180.452 177.584 0.049 0.000 1.218 387 A CA 3.144 55.202 52.037 0.034 0.000 0.667 387 A CB -0.979 17.905 19.000 -0.195 0.000 0.826 387 A HN 1.252 nan 8.150 nan 0.000 0.472 388 A N -0.927 121.980 122.820 0.146 0.000 1.929 388 A HA 0.101 4.424 4.320 0.004 0.000 0.216 388 A C 2.167 179.730 177.584 -0.035 0.000 1.176 388 A CA 1.293 53.433 52.037 0.172 0.000 0.628 388 A CB -0.484 18.637 19.000 0.202 0.000 0.816 388 A HN 0.495 nan 8.150 nan 0.000 0.444 389 L N -0.649 120.536 121.223 -0.063 0.000 2.017 389 L HA -0.180 4.162 4.340 0.004 0.000 0.208 389 L C 2.564 179.217 176.870 -0.363 0.000 1.073 389 L CA 1.259 56.008 54.840 -0.152 0.000 0.745 389 L CB -0.646 41.389 42.059 -0.040 0.000 0.894 389 L HN 0.250 nan 8.230 nan 0.000 0.432 390 V N -0.353 119.327 119.914 -0.389 0.000 2.261 390 V HA -0.264 3.858 4.120 0.004 0.000 0.246 390 V C 2.607 178.440 176.094 -0.435 0.000 1.047 390 V CA 1.553 63.545 62.300 -0.513 0.000 1.015 390 V CB -0.507 30.800 31.823 -0.860 0.000 0.642 390 V HN 0.376 nan 8.190 nan 0.000 0.446 391 K N -0.135 120.052 120.400 -0.355 0.000 2.089 391 K HA -0.289 4.033 4.320 0.004 0.000 0.210 391 K C 1.900 178.134 176.600 -0.610 0.000 1.048 391 K CA 2.248 58.266 56.287 -0.448 0.000 0.926 391 K CB -0.678 31.613 32.500 -0.348 0.000 0.714 391 K HN 0.573 nan 8.250 nan 0.000 0.448 392 D N 0.161 120.322 120.400 -0.399 0.000 2.097 392 D HA -0.070 4.572 4.640 0.004 0.000 0.195 392 D C 0.682 176.852 176.300 -0.216 0.000 0.989 392 D CA 1.091 54.941 54.000 -0.251 0.000 0.827 392 D CB -0.015 40.681 40.800 -0.174 0.000 0.966 392 D HN 0.249 nan 8.370 nan 0.000 0.456 396 N N 1.077 119.855 118.700 0.131 0.000 2.467 396 N HA 0.164 4.906 4.740 0.004 0.000 0.184 396 N C 1.505 177.036 175.510 0.036 0.000 1.106 396 N CA 1.415 54.505 53.050 0.066 0.000 0.892 396 N CB 0.309 38.822 38.487 0.043 0.000 0.969 396 N HN 0.407 nan 8.380 nan 0.000 0.454 397 G N -0.639 108.175 108.800 0.024 0.000 2.179 397 G HA2 -0.366 3.596 3.960 0.004 0.000 0.260 397 G HA3 -0.366 3.596 3.960 0.004 0.000 0.260 397 G C 1.120 176.010 174.900 -0.017 0.000 0.977 397 G CA 0.928 46.024 45.100 -0.006 0.000 0.641 397 G HN 0.725 nan 8.290 nan 0.000 0.533 398 S N -0.194 115.503 115.700 -0.005 0.000 2.345 398 S HA 0.117 4.589 4.470 0.004 0.000 0.220 398 S C 2.234 176.851 174.600 0.028 0.000 1.031 398 S CA 1.315 59.529 58.200 0.023 0.000 0.996 398 S CB -0.323 62.911 63.200 0.057 0.000 0.882 398 S HN 0.581 nan 8.310 nan 0.000 0.445 399 L N 0.635 121.868 121.223 0.016 0.000 2.083 399 L HA 0.027 4.369 4.340 0.004 0.000 0.209 399 L C 2.606 179.428 176.870 -0.080 0.000 1.083 399 L CA 1.221 56.069 54.840 0.015 0.000 0.752 399 L CB -0.425 41.623 42.059 -0.019 0.000 0.899 399 L HN 0.404 nan 8.230 nan 0.000 0.433 400 L N -0.772 120.371 121.223 -0.133 0.000 2.017 400 L HA -0.290 4.052 4.340 0.004 0.000 0.208 400 L C 2.524 179.329 176.870 -0.108 0.000 1.073 400 L CA 1.145 55.873 54.840 -0.185 0.000 0.745 400 L CB -0.288 41.658 42.059 -0.188 0.000 0.894 400 L HN 0.218 nan 8.230 nan 0.000 0.432 401 I N -0.454 120.082 120.570 -0.056 0.000 2.151 401 I HA -0.299 3.873 4.170 0.004 0.000 0.243 401 I C 2.702 178.809 176.117 -0.016 0.000 1.080 401 I CA 1.377 62.661 61.300 -0.026 0.000 1.339 401 I CB -0.724 37.272 38.000 -0.007 0.000 1.039 401 I HN 0.164 nan 8.210 nan 0.000 0.409 402 R N 0.054 120.550 120.500 -0.008 0.000 2.091 402 R HA -0.097 4.245 4.340 0.004 0.000 0.238 402 R C 2.243 178.547 176.300 0.006 0.000 1.136 402 R CA 1.368 57.473 56.100 0.008 0.000 0.959 402 R CB -0.981 29.335 30.300 0.026 0.000 0.856 402 R HN 0.374 nan 8.270 nan 0.000 0.437 403 L N 0.488 121.692 121.223 -0.033 0.000 2.376 403 L HA -0.056 4.287 4.340 0.004 0.000 0.219 403 L C 1.610 178.476 176.870 -0.007 0.000 1.133 403 L CA 0.486 55.302 54.840 -0.040 0.000 0.816 403 L CB -0.097 41.828 42.059 -0.223 0.000 0.933 403 L HN 0.078 nan 8.230 nan 0.000 0.449 404 L N -0.885 120.326 121.223 -0.021 0.000 2.629 404 L HA 0.028 4.370 4.340 0.004 0.000 0.230 404 L C 1.951 178.834 176.870 0.021 0.000 1.151 404 L CA -0.277 54.564 54.840 0.002 0.000 0.924 404 L CB -0.025 42.024 42.059 -0.017 0.000 1.137 404 L HN 0.137 nan 8.230 nan 0.000 0.457 405 Q N 0.769 120.586 119.800 0.029 0.000 2.096 405 Q HA 0.209 4.551 4.340 0.004 0.000 0.197 405 Q C 1.155 177.178 176.000 0.039 0.000 0.964 405 Q CA 0.980 56.801 55.803 0.030 0.000 0.838 405 Q CB 0.115 28.870 28.738 0.028 0.000 0.906 405 Q HN 0.435 nan 8.270 nan 0.000 0.444 406 G N 0.000 108.836 108.800 0.060 0.000 5.446 406 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 406 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 406 G CA 0.000 45.136 45.100 0.061 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925