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 1ndw_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFDKPKVE LHVHLDGAIK PETILYYGKR RGIALPADTP EELQNIIGMD DATA SEQUENCE KPLTLPDFLA KFDYYMPAIA GCRDAIKRIA YEFVEMKAKD GVVYVEVRYS DATA SEQUENCE PHLLANSKVE PIPWNQAEGD LTPDEVVSLV NQGLQEGERD FGVKVRSILC DATA SEQUENCE CMRHQPSWSS EVVELCKKYR EQTVVAIDLA GDETIEGSSL FPGHVQAYAE DATA SEQUENCE AVKSGVHRTV HAGEVGSANV VKEAVDTLKT ERLGHGYHTL EDTTLYNRLR DATA SEQUENCE QENMHFEICP WSSYLTGAWK PDTEHAVIRF KNDQVNYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEDEKKEL LDLLYKAYR 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.684 174.700 -0.026 0.000 1.109 4 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 4 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 5 P HA 0.498 nan 4.420 nan 0.000 0.263 5 P C 1.044 178.324 177.300 -0.032 0.000 1.175 5 P CA 0.719 63.781 63.100 -0.063 0.000 0.761 5 P CB 0.483 32.123 31.700 -0.099 0.000 0.794 6 A N 2.615 125.423 122.820 -0.020 0.000 2.014 6 A HA -0.022 4.298 4.320 -0.001 0.000 0.218 6 A C 0.592 178.259 177.584 0.137 0.000 1.163 6 A CA 1.007 53.089 52.037 0.076 0.000 0.652 6 A CB -0.588 18.479 19.000 0.113 0.000 0.808 6 A HN 0.517 nan 8.150 nan 0.000 0.449 7 F N -0.038 119.767 119.950 -0.242 0.000 3.094 7 F HA 0.344 4.870 4.527 -0.001 0.000 0.385 7 F C -0.889 174.743 175.800 -0.280 0.000 1.231 7 F CA -1.555 56.261 58.000 -0.307 0.000 1.207 7 F CB 0.959 39.566 39.000 -0.655 0.000 1.703 7 F HN -0.010 nan 8.300 nan 0.000 0.610 8 D N 4.621 124.797 120.400 -0.373 0.000 2.994 8 D HA 0.208 4.848 4.640 -0.001 0.000 0.240 8 D C -0.445 175.612 176.300 -0.405 0.000 1.195 8 D CA 0.564 54.367 54.000 -0.329 0.000 0.957 8 D CB 0.044 40.736 40.800 -0.181 0.000 1.105 8 D HN 0.397 nan 8.370 nan 0.000 0.477 9 K N 0.379 120.418 120.400 -0.602 0.000 2.495 9 K HA 0.470 4.790 4.320 -0.001 0.000 0.268 9 K C -2.724 173.751 176.600 -0.207 0.000 1.008 9 K CA -2.084 53.934 56.287 -0.448 0.000 0.882 9 K CB 1.540 33.616 32.500 -0.706 0.000 1.443 9 K HN -0.120 nan 8.250 nan 0.000 0.447 10 P HA -0.013 nan 4.420 nan 0.000 0.266 10 P C -1.009 176.398 177.300 0.177 0.000 1.195 10 P CA 0.195 63.308 63.100 0.022 0.000 0.768 10 P CB 0.439 32.130 31.700 -0.015 0.000 0.838 11 K N 0.802 121.278 120.400 0.126 0.000 2.378 11 K HA 0.765 5.084 4.320 -0.001 0.000 0.244 11 K C -0.878 175.825 176.600 0.172 0.000 1.039 11 K CA -1.153 55.266 56.287 0.219 0.000 0.863 11 K CB 1.456 34.064 32.500 0.180 0.000 1.326 11 K HN 0.225 nan 8.250 nan 0.000 0.460 12 V N -2.567 117.473 119.914 0.209 0.000 2.656 12 V HA 0.556 4.676 4.120 -0.001 0.000 0.307 12 V C -0.841 175.352 176.094 0.164 0.000 1.051 12 V CA -0.771 61.639 62.300 0.182 0.000 0.893 12 V CB 1.618 33.562 31.823 0.201 0.000 0.999 12 V HN 0.941 nan 8.190 nan 0.000 0.426 13 E N 2.701 122.962 120.200 0.102 0.000 2.224 13 E HA 0.578 4.928 4.350 -0.001 0.000 0.265 13 E C -0.519 176.107 176.600 0.043 0.000 0.878 13 E CA -0.640 55.826 56.400 0.111 0.000 0.759 13 E CB 2.215 31.993 29.700 0.131 0.000 1.164 13 E HN 0.868 nan 8.360 nan 0.000 0.414 14 L N 3.096 124.368 121.223 0.082 0.000 2.766 14 L HA 0.258 4.598 4.340 -0.001 0.000 0.242 14 L C 0.179 177.072 176.870 0.037 0.000 1.136 14 L CA 0.024 54.866 54.840 0.004 0.000 0.933 14 L CB 0.368 42.400 42.059 -0.046 0.000 1.241 14 L HN 0.542 nan 8.230 nan 0.000 0.522 15 H N 0.245 119.336 119.070 0.035 0.000 2.917 15 H HA 0.545 5.100 4.556 -0.000 0.000 0.279 15 H C -1.560 173.842 175.328 0.123 0.000 1.211 15 H CA -0.201 55.862 56.048 0.025 0.000 1.534 15 H CB 1.433 31.189 29.762 -0.009 0.000 1.581 15 H HN -0.180 nan 8.280 nan 0.000 0.510 16 V N 5.623 125.620 119.914 0.139 0.000 2.817 16 V HA 0.252 4.372 4.120 -0.001 0.000 0.303 16 V C -1.403 174.732 176.094 0.069 0.000 1.151 16 V CA -0.535 61.922 62.300 0.262 0.000 0.929 16 V CB 1.819 33.849 31.823 0.345 0.000 1.030 16 V HN 0.808 nan 8.190 nan 0.000 0.427 17 H N 6.417 125.622 119.070 0.225 0.000 2.517 17 H HA 0.264 4.819 4.556 -0.000 0.000 0.317 17 H C 0.663 176.054 175.328 0.106 0.000 1.080 17 H CA -0.374 55.782 56.048 0.181 0.000 1.301 17 H CB 2.326 32.270 29.762 0.304 0.000 1.425 17 H HN 0.655 nan 8.280 nan 0.000 0.471 18 L N 3.558 124.806 121.223 0.042 0.000 2.043 18 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 18 L C 1.710 178.643 176.870 0.106 0.000 1.075 18 L CA 1.994 56.769 54.840 -0.109 0.000 0.752 18 L CB -0.538 41.367 42.059 -0.257 0.000 0.891 18 L HN 0.717 nan 8.230 nan 0.000 0.432 19 D N -1.674 118.868 120.400 0.237 0.000 2.348 19 D HA -0.029 4.611 4.640 -0.001 0.000 0.216 19 D C 1.697 178.257 176.300 0.434 0.000 0.970 19 D CA 0.989 55.191 54.000 0.337 0.000 0.889 19 D CB -0.735 40.303 40.800 0.397 0.000 0.912 19 D HN 0.404 nan 8.370 nan 0.000 0.524 20 G N -0.748 108.280 108.800 0.379 0.000 3.605 20 G HA2 0.452 4.411 3.960 -0.001 0.000 0.277 20 G HA3 0.452 4.411 3.960 -0.001 0.000 0.277 20 G C 0.352 175.323 174.900 0.118 0.000 1.093 20 G CA -0.043 45.197 45.100 0.233 0.000 0.821 20 G HN 0.404 nan 8.290 nan 0.000 0.532 21 A N 0.762 123.669 122.820 0.145 0.000 3.234 21 A HA 0.598 4.918 4.320 -0.001 0.000 0.247 21 A C -0.204 177.459 177.584 0.132 0.000 0.938 21 A CA -0.371 51.768 52.037 0.171 0.000 1.039 21 A CB -0.103 19.134 19.000 0.395 0.000 1.197 21 A HN 0.212 nan 8.150 nan 0.000 0.498 22 I N 0.430 121.001 120.570 0.002 0.000 2.437 22 I HA 0.263 4.433 4.170 -0.001 0.000 0.298 22 I C 0.168 176.234 176.117 -0.086 0.000 0.984 22 I CA -0.752 60.529 61.300 -0.031 0.000 1.214 22 I CB 1.806 39.770 38.000 -0.059 0.000 1.365 22 I HN 0.192 nan 8.210 nan 0.000 0.469 23 K N 6.551 126.923 120.400 -0.046 0.000 2.416 23 K HA 0.113 4.432 4.320 -0.001 0.000 0.283 23 K C -1.690 174.869 176.600 -0.069 0.000 1.037 23 K CA -1.174 55.078 56.287 -0.059 0.000 0.995 23 K CB 0.639 33.115 32.500 -0.039 0.000 0.938 23 K HN 0.280 nan 8.250 nan 0.000 0.475 24 P HA -0.281 nan 4.420 nan 0.000 0.216 24 P C 0.869 178.146 177.300 -0.038 0.000 1.154 24 P CA 1.323 64.370 63.100 -0.087 0.000 0.865 24 P CB 0.181 31.831 31.700 -0.084 0.000 0.789 25 E N -0.881 119.299 120.200 -0.034 0.000 2.118 25 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 25 E C 1.535 178.137 176.600 0.003 0.000 0.992 25 E CA 1.707 58.095 56.400 -0.020 0.000 0.804 25 E CB -1.969 27.709 29.700 -0.037 0.000 0.741 25 E HN 0.236 nan 8.360 nan 0.000 0.458 26 T N 1.725 116.286 114.554 0.013 0.000 2.951 26 T HA 0.079 4.428 4.350 -0.001 0.000 0.268 26 T C 2.111 176.948 174.700 0.229 0.000 1.073 26 T CA 0.649 62.803 62.100 0.090 0.000 1.134 26 T CB -0.132 68.808 68.868 0.121 0.000 0.884 26 T HN 0.123 nan 8.240 nan 0.000 0.479 27 I N 0.940 121.589 120.570 0.132 0.000 2.142 27 I HA -0.146 4.024 4.170 -0.001 0.000 0.240 27 I C 2.438 178.648 176.117 0.155 0.000 1.078 27 I CA 0.879 62.267 61.300 0.146 0.000 1.343 27 I CB -0.425 37.600 38.000 0.042 0.000 1.046 27 I HN 0.183 nan 8.210 nan 0.000 0.405 28 L N 0.423 121.699 121.223 0.088 0.000 2.021 28 L HA -0.312 4.028 4.340 -0.001 0.000 0.215 28 L C 2.590 179.518 176.870 0.097 0.000 1.074 28 L CA 2.260 57.142 54.840 0.069 0.000 0.760 28 L CB -1.290 40.791 42.059 0.036 0.000 0.889 28 L HN 0.293 nan 8.230 nan 0.000 0.433 29 Y N -0.642 119.611 120.300 -0.079 0.000 2.053 29 Y HA -0.367 4.182 4.550 -0.001 0.000 0.277 29 Y C 2.640 178.395 175.900 -0.241 0.000 1.159 29 Y CA 2.295 60.273 58.100 -0.202 0.000 1.125 29 Y CB -0.630 37.630 38.460 -0.332 0.000 0.969 29 Y HN 0.173 nan 8.280 nan 0.000 0.492 30 Y N 0.127 120.564 120.300 0.229 0.000 2.242 30 Y HA -0.069 4.481 4.550 -0.001 0.000 0.291 30 Y C 2.614 178.510 175.900 -0.008 0.000 1.137 30 Y CA 1.108 59.250 58.100 0.069 0.000 1.181 30 Y CB -1.130 37.418 38.460 0.147 0.000 0.989 30 Y HN 0.252 nan 8.280 nan 0.000 0.527 31 G N 0.084 108.981 108.800 0.162 0.000 2.587 31 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.217 31 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.217 31 G C 1.742 176.653 174.900 0.018 0.000 1.240 31 G CA 1.484 46.634 45.100 0.084 0.000 0.794 31 G HN 0.212 nan 8.290 nan 0.000 0.580 32 K N 0.815 121.202 120.400 -0.021 0.000 2.015 32 K HA -0.141 4.179 4.320 -0.001 0.000 0.220 32 K C 2.480 179.009 176.600 -0.118 0.000 1.055 32 K CA 1.825 58.069 56.287 -0.071 0.000 0.951 32 K CB -0.758 31.690 32.500 -0.087 0.000 0.725 32 K HN 0.280 nan 8.250 nan 0.000 0.449 33 R N -0.398 119.963 120.500 -0.232 0.000 2.241 33 R HA -0.013 4.326 4.340 -0.001 0.000 0.224 33 R C 1.876 178.113 176.300 -0.106 0.000 1.101 33 R CA 1.384 57.327 56.100 -0.262 0.000 0.995 33 R CB -0.031 29.964 30.300 -0.509 0.000 0.870 33 R HN 0.189 nan 8.270 nan 0.000 0.463 34 R N -1.596 118.886 120.500 -0.030 0.000 2.446 34 R HA 0.131 4.471 4.340 -0.001 0.000 0.254 34 R C 0.562 176.872 176.300 0.018 0.000 0.918 34 R CA 0.478 56.591 56.100 0.022 0.000 1.069 34 R CB 1.296 31.641 30.300 0.076 0.000 1.194 34 R HN 0.247 nan 8.270 nan 0.000 0.534 35 G N 2.367 111.169 108.800 0.003 0.000 2.273 35 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.280 35 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.280 35 G C 0.653 175.570 174.900 0.027 0.000 1.047 35 G CA 0.741 45.847 45.100 0.011 0.000 0.869 35 G HN 0.458 nan 8.290 nan 0.000 0.502 36 I N -2.495 118.098 120.570 0.038 0.000 2.235 36 I HA 0.618 4.787 4.170 -0.001 0.000 0.241 36 I C 1.538 177.684 176.117 0.048 0.000 1.085 36 I CA 1.644 62.973 61.300 0.048 0.000 1.378 36 I CB 0.108 38.143 38.000 0.059 0.000 1.076 36 I HN 2.058 nan 8.210 nan 0.000 0.415 37 A N 0.592 123.439 122.820 0.045 0.000 3.619 37 A HA 0.070 4.390 4.320 -0.001 0.000 0.250 37 A C -0.212 177.406 177.584 0.057 0.000 1.195 37 A CA -0.197 51.867 52.037 0.044 0.000 0.747 37 A CB -2.524 16.502 19.000 0.044 0.000 1.094 37 A HN 0.450 nan 8.150 nan 0.000 0.380 38 L N 2.174 123.419 121.223 0.037 0.000 2.467 38 L HA 0.294 4.634 4.340 -0.001 0.000 0.270 38 L C -0.219 176.636 176.870 -0.024 0.000 1.205 38 L CA -1.113 53.733 54.840 0.010 0.000 0.828 38 L CB 0.252 42.305 42.059 -0.009 0.000 1.101 38 L HN 0.507 nan 8.230 nan 0.000 0.479 39 P HA -0.038 nan 4.420 nan 0.000 0.234 39 P C -0.278 176.954 177.300 -0.114 0.000 1.162 39 P CA 0.672 63.679 63.100 -0.153 0.000 0.759 39 P CB 0.181 31.583 31.700 -0.496 0.000 0.813 40 A N -0.576 122.191 122.820 -0.088 0.000 2.586 40 A HA 0.382 4.702 4.320 -0.001 0.000 0.296 40 A C -1.124 176.432 177.584 -0.048 0.000 1.040 40 A CA -0.519 51.477 52.037 -0.069 0.000 0.701 40 A CB 0.203 19.148 19.000 -0.092 0.000 1.277 40 A HN -0.199 nan 8.150 nan 0.000 0.413 41 D N 0.888 121.268 120.400 -0.032 0.000 2.538 41 D HA 0.290 4.930 4.640 -0.001 0.000 0.231 41 D C 0.402 176.690 176.300 -0.020 0.000 1.229 41 D CA 1.179 55.164 54.000 -0.024 0.000 0.828 41 D CB 0.840 41.630 40.800 -0.016 0.000 1.035 41 D HN 0.784 nan 8.370 nan 0.000 0.495 42 T N -3.752 110.787 114.554 -0.024 0.000 2.908 42 T HA 0.438 4.788 4.350 -0.001 0.000 0.290 42 T C -2.008 172.675 174.700 -0.028 0.000 1.034 42 T CA -2.058 60.030 62.100 -0.021 0.000 1.010 42 T CB 2.392 71.250 68.868 -0.017 0.000 1.068 42 T HN -0.378 nan 8.240 nan 0.000 0.481 43 P HA -0.224 nan 4.420 nan 0.000 0.218 43 P C 1.207 178.484 177.300 -0.037 0.000 1.165 43 P CA 1.681 64.762 63.100 -0.032 0.000 0.922 43 P CB -0.008 31.676 31.700 -0.027 0.000 0.794 44 E N -0.762 119.420 120.200 -0.029 0.000 2.118 44 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 44 E C 2.074 178.657 176.600 -0.029 0.000 0.992 44 E CA 0.909 57.294 56.400 -0.026 0.000 0.804 44 E CB -0.559 29.130 29.700 -0.018 0.000 0.741 44 E HN 0.289 nan 8.360 nan 0.000 0.458 45 E N 0.607 120.786 120.200 -0.034 0.000 2.046 45 E HA -0.134 4.216 4.350 -0.001 0.000 0.190 45 E C 2.050 178.610 176.600 -0.066 0.000 0.982 45 E CA 0.426 56.801 56.400 -0.041 0.000 0.800 45 E CB -0.230 29.445 29.700 -0.042 0.000 0.756 45 E HN 0.145 nan 8.360 nan 0.000 0.449 46 L N 1.660 122.834 121.223 -0.082 0.000 1.976 46 L HA -0.315 4.025 4.340 -0.001 0.000 0.223 46 L C 2.655 179.460 176.870 -0.108 0.000 1.081 46 L CA 2.346 57.115 54.840 -0.119 0.000 0.784 46 L CB -1.116 40.881 42.059 -0.103 0.000 0.896 46 L HN 0.149 nan 8.230 nan 0.000 0.438 47 Q N -0.257 119.493 119.800 -0.082 0.000 2.103 47 Q HA -0.276 4.064 4.340 -0.001 0.000 0.213 47 Q C 1.722 177.703 176.000 -0.032 0.000 1.008 47 Q CA 2.641 58.407 55.803 -0.062 0.000 0.879 47 Q CB -0.412 28.302 28.738 -0.039 0.000 0.946 47 Q HN 0.709 nan 8.270 nan 0.000 0.413 48 N N -0.462 118.227 118.700 -0.019 0.000 2.457 48 N HA -0.018 4.721 4.740 -0.001 0.000 0.180 48 N C 1.695 177.210 175.510 0.009 0.000 1.050 48 N CA 0.900 53.957 53.050 0.012 0.000 0.906 48 N CB -0.112 38.392 38.487 0.028 0.000 0.968 48 N HN 0.372 nan 8.380 nan 0.000 0.445 49 I N 2.064 122.612 120.570 -0.037 0.000 2.113 49 I HA -0.217 3.953 4.170 -0.001 0.000 0.238 49 I C 2.225 178.332 176.117 -0.016 0.000 1.070 49 I CA 1.046 62.311 61.300 -0.059 0.000 1.332 49 I CB -0.212 37.683 38.000 -0.175 0.000 1.044 49 I HN 0.015 nan 8.210 nan 0.000 0.402 50 I N 0.220 120.750 120.570 -0.067 0.000 2.226 50 I HA -0.045 4.125 4.170 -0.001 0.000 0.245 50 I C 1.661 177.793 176.117 0.025 0.000 1.100 50 I CA 0.704 62.012 61.300 0.013 0.000 1.374 50 I CB -2.147 35.842 38.000 -0.019 0.000 1.057 50 I HN 0.161 nan 8.210 nan 0.000 0.413 51 G N 2.838 111.647 108.800 0.016 0.000 2.707 51 G HA2 0.248 4.207 3.960 -0.001 0.000 0.231 51 G HA3 0.248 4.207 3.960 -0.001 0.000 0.231 51 G C -0.134 174.860 174.900 0.158 0.000 1.246 51 G CA 0.005 45.160 45.100 0.093 0.000 0.852 51 G HN 0.511 nan 8.290 nan 0.000 0.584 52 M N -0.377 119.365 119.600 0.237 0.000 2.550 52 M HA 0.561 5.041 4.480 -0.001 0.000 0.292 52 M C -0.956 175.484 176.300 0.234 0.000 1.221 52 M CA -0.903 54.531 55.300 0.223 0.000 0.873 52 M CB 2.713 35.454 32.600 0.235 0.000 1.727 52 M HN 0.475 nan 8.290 nan 0.000 0.459 53 D N -0.717 119.788 120.400 0.174 0.000 2.539 53 D HA 0.206 4.846 4.640 -0.001 0.000 0.232 53 D C -0.564 175.807 176.300 0.119 0.000 1.256 53 D CA -0.430 53.683 54.000 0.190 0.000 0.810 53 D CB 0.413 41.374 40.800 0.268 0.000 1.090 53 D HN 0.703 nan 8.370 nan 0.000 0.519 54 K N -0.217 120.211 120.400 0.045 0.000 2.385 54 K HA 0.602 4.921 4.320 -0.001 0.000 0.248 54 K C -2.930 173.585 176.600 -0.143 0.000 0.955 54 K CA -2.208 54.057 56.287 -0.037 0.000 0.816 54 K CB 1.608 34.117 32.500 0.016 0.000 1.250 54 K HN -0.312 nan 8.250 nan 0.000 0.434 55 P HA -0.094 nan 4.420 nan 0.000 0.266 55 P C -0.841 176.397 177.300 -0.103 0.000 1.180 55 P CA 0.233 63.189 63.100 -0.239 0.000 0.765 55 P CB 0.428 31.950 31.700 -0.296 0.000 0.806 56 L N 0.811 121.987 121.223 -0.078 0.000 2.393 56 L HA 0.361 4.700 4.340 -0.001 0.000 0.260 56 L C 0.772 177.638 176.870 -0.007 0.000 1.002 56 L CA -0.969 53.869 54.840 -0.003 0.000 0.818 56 L CB 2.304 44.411 42.059 0.080 0.000 1.369 56 L HN 0.360 nan 8.230 nan 0.000 0.412 57 T N -1.320 113.246 114.554 0.020 0.000 2.906 57 T HA 0.016 4.366 4.350 -0.001 0.000 0.320 57 T C 1.241 175.984 174.700 0.072 0.000 1.088 57 T CA -0.221 61.896 62.100 0.028 0.000 1.120 57 T CB 0.786 69.676 68.868 0.036 0.000 1.000 57 T HN 0.628 nan 8.240 nan 0.000 0.550 58 L N 2.014 123.269 121.223 0.054 0.000 1.997 58 L HA -0.049 4.291 4.340 -0.001 0.000 0.216 58 L C -0.570 176.400 176.870 0.167 0.000 1.074 58 L CA 1.786 56.692 54.840 0.109 0.000 0.763 58 L CB -1.331 40.760 42.059 0.054 0.000 0.890 58 L HN 0.568 nan 8.230 nan 0.000 0.434 59 P HA -0.190 nan 4.420 nan 0.000 0.215 59 P C 1.087 178.446 177.300 0.099 0.000 1.157 59 P CA 1.757 64.906 63.100 0.081 0.000 0.874 59 P CB -0.130 31.595 31.700 0.042 0.000 0.790 60 D N -1.767 118.695 120.400 0.103 0.000 2.123 60 D HA -0.181 4.458 4.640 -0.001 0.000 0.196 60 D C 1.786 178.198 176.300 0.187 0.000 0.992 60 D CA 1.044 55.110 54.000 0.110 0.000 0.833 60 D CB -0.570 40.293 40.800 0.106 0.000 0.954 60 D HN 0.068 nan 8.370 nan 0.000 0.455 61 F N 1.657 121.651 119.950 0.073 0.000 2.069 61 F HA -0.165 4.362 4.527 -0.001 0.000 0.298 61 F C 2.330 178.240 175.800 0.184 0.000 1.113 61 F CA 1.159 59.231 58.000 0.121 0.000 1.214 61 F CB -0.562 38.527 39.000 0.148 0.000 0.978 61 F HN -0.120 nan 8.300 nan 0.000 0.474 62 L N 0.011 121.409 121.223 0.291 0.000 2.079 62 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 62 L C 2.743 179.694 176.870 0.134 0.000 1.081 62 L CA 1.150 56.117 54.840 0.212 0.000 0.752 62 L CB -1.265 40.905 42.059 0.185 0.000 0.896 62 L HN 0.274 nan 8.230 nan 0.000 0.433 63 A N 0.092 122.928 122.820 0.028 0.000 2.024 63 A HA -0.248 4.072 4.320 -0.001 0.000 0.220 63 A C 2.266 179.695 177.584 -0.259 0.000 1.164 63 A CA 1.739 53.713 52.037 -0.106 0.000 0.643 63 A CB -0.377 18.529 19.000 -0.157 0.000 0.806 63 A HN 0.340 nan 8.150 nan 0.000 0.451 64 K N -1.077 119.205 120.400 -0.197 0.000 2.089 64 K HA -0.191 4.128 4.320 -0.001 0.000 0.210 64 K C 1.359 177.678 176.600 -0.470 0.000 1.048 64 K CA 1.952 58.126 56.287 -0.189 0.000 0.926 64 K CB -0.432 31.933 32.500 -0.226 0.000 0.714 64 K HN 0.565 nan 8.250 nan 0.000 0.448 65 F N 1.207 120.814 119.950 -0.571 0.000 2.365 65 F HA -0.117 4.410 4.527 -0.001 0.000 0.300 65 F C 1.539 176.768 175.800 -0.953 0.000 1.090 65 F CA 0.966 58.334 58.000 -1.053 0.000 1.408 65 F CB -0.260 38.313 39.000 -0.711 0.000 1.060 65 F HN 0.054 nan 8.300 nan 0.000 0.534 66 D N -0.842 119.368 120.400 -0.317 0.000 2.097 66 D HA -0.197 4.443 4.640 -0.001 0.000 0.197 66 D C 2.008 178.243 176.300 -0.108 0.000 0.984 66 D CA 1.383 55.268 54.000 -0.192 0.000 0.826 66 D CB -0.611 40.138 40.800 -0.085 0.000 0.973 66 D HN 0.299 nan 8.370 nan 0.000 0.460 67 Y N -0.517 119.701 120.300 -0.137 0.000 2.062 67 Y HA -0.375 4.175 4.550 -0.001 0.000 0.276 67 Y C 2.337 178.215 175.900 -0.036 0.000 1.189 67 Y CA 1.595 59.664 58.100 -0.051 0.000 1.130 67 Y CB -0.342 38.128 38.460 0.017 0.000 0.959 67 Y HN 0.249 nan 8.280 nan 0.000 0.499 68 Y N -3.731 116.587 120.300 0.029 0.000 2.464 68 Y HA 0.104 4.654 4.550 -0.001 0.000 0.288 68 Y C 2.080 177.885 175.900 -0.158 0.000 1.133 68 Y CA -0.028 58.031 58.100 -0.068 0.000 1.223 68 Y CB -0.890 37.516 38.460 -0.090 0.000 1.187 68 Y HN -0.147 nan 8.280 nan 0.000 0.539 69 M N 1.239 120.494 119.600 -0.575 0.000 2.108 69 M HA -0.106 4.373 4.480 -0.001 0.000 0.257 69 M C -0.650 175.427 176.300 -0.372 0.000 1.071 69 M CA 1.757 56.701 55.300 -0.593 0.000 1.093 69 M CB -2.288 29.486 32.600 -1.378 0.000 1.345 69 M HN 0.241 nan 8.290 nan 0.000 0.403 70 P HA -0.081 nan 4.420 nan 0.000 0.219 70 P C 1.286 178.585 177.300 -0.002 0.000 1.146 70 P CA 1.803 64.868 63.100 -0.058 0.000 0.808 70 P CB -0.255 31.455 31.700 0.017 0.000 0.779 71 A N -0.394 122.435 122.820 0.015 0.000 1.972 71 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 71 A C 2.006 179.617 177.584 0.045 0.000 1.169 71 A CA 1.603 53.686 52.037 0.076 0.000 0.635 71 A CB -1.158 17.918 19.000 0.126 0.000 0.810 71 A HN 0.170 nan 8.150 nan 0.000 0.446 72 I N -1.976 118.585 120.570 -0.014 0.000 3.172 72 I HA 0.229 4.399 4.170 -0.001 0.000 0.278 72 I C 1.413 177.479 176.117 -0.085 0.000 1.174 72 I CA 0.516 61.755 61.300 -0.101 0.000 1.445 72 I CB -1.508 36.446 38.000 -0.077 0.000 1.175 72 I HN 0.193 nan 8.210 nan 0.000 0.447 73 A N 1.812 124.614 122.820 -0.030 0.000 2.565 73 A HA 0.342 4.662 4.320 -0.001 0.000 0.237 73 A C 1.517 179.119 177.584 0.030 0.000 1.053 73 A CA 1.154 53.214 52.037 0.038 0.000 0.755 73 A CB -0.549 18.544 19.000 0.155 0.000 0.980 73 A HN 0.920 nan 8.150 nan 0.000 0.506 74 G N 0.124 108.939 108.800 0.025 0.000 2.225 74 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.254 74 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.254 74 G C 0.623 175.516 174.900 -0.012 0.000 0.988 74 G CA 0.532 45.642 45.100 0.018 0.000 0.625 74 G HN 1.923 nan 8.290 nan 0.000 0.527 75 C N 2.578 121.848 119.300 -0.051 0.000 2.176 75 C HA 0.672 5.132 4.460 -0.001 0.000 0.329 75 C C 2.196 177.123 174.990 -0.105 0.000 1.113 75 C CA -0.065 58.904 59.018 -0.081 0.000 1.562 75 C CB -1.013 26.631 27.740 -0.161 0.000 2.040 75 C HN 0.534 nan 8.230 nan 0.000 0.460 76 R N 1.627 122.094 120.500 -0.055 0.000 2.189 76 R HA -0.246 4.093 4.340 -0.001 0.000 0.252 76 R C 1.772 178.036 176.300 -0.060 0.000 1.134 76 R CA 2.740 58.810 56.100 -0.050 0.000 0.954 76 R CB -0.349 29.939 30.300 -0.020 0.000 0.890 76 R HN 0.823 nan 8.270 nan 0.000 0.443 77 D N -0.390 119.991 120.400 -0.031 0.000 2.126 77 D HA -0.176 4.464 4.640 -0.001 0.000 0.190 77 D C 1.719 177.985 176.300 -0.057 0.000 1.001 77 D CA 1.995 56.013 54.000 0.031 0.000 0.841 77 D CB -0.139 40.791 40.800 0.217 0.000 0.949 77 D HN 0.349 nan 8.370 nan 0.000 0.446 78 A N -0.371 122.235 122.820 -0.356 0.000 2.016 78 A HA 0.046 4.365 4.320 -0.001 0.000 0.217 78 A C 2.469 179.897 177.584 -0.259 0.000 1.162 78 A CA 0.504 52.169 52.037 -0.621 0.000 0.662 78 A CB -0.482 17.644 19.000 -1.457 0.000 0.812 78 A HN 0.348 nan 8.150 nan 0.000 0.450 79 I N -0.441 120.010 120.570 -0.199 0.000 2.179 79 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 79 I C 2.533 178.592 176.117 -0.097 0.000 1.088 79 I CA 1.771 62.990 61.300 -0.135 0.000 1.357 79 I CB -0.240 37.690 38.000 -0.118 0.000 1.051 79 I HN 0.348 nan 8.210 nan 0.000 0.409 80 K N 1.192 121.554 120.400 -0.064 0.000 2.148 80 K HA -0.211 4.108 4.320 -0.001 0.000 0.204 80 K C 2.305 178.929 176.600 0.041 0.000 1.050 80 K CA 1.155 57.431 56.287 -0.019 0.000 0.942 80 K CB 0.019 32.508 32.500 -0.019 0.000 0.724 80 K HN 0.130 nan 8.250 nan 0.000 0.446 81 R N 1.488 122.013 120.500 0.041 0.000 2.090 81 R HA -0.070 4.270 4.340 -0.001 0.000 0.228 81 R C 2.342 178.727 176.300 0.140 0.000 1.110 81 R CA 1.449 57.620 56.100 0.118 0.000 0.973 81 R CB -0.478 29.921 30.300 0.166 0.000 0.869 81 R HN 0.409 nan 8.270 nan 0.000 0.440 82 I N -1.441 119.170 120.570 0.067 0.000 2.361 82 I HA -0.082 4.088 4.170 -0.001 0.000 0.251 82 I C 2.164 178.341 176.117 0.100 0.000 1.133 82 I CA 1.658 62.999 61.300 0.068 0.000 1.413 82 I CB -0.543 37.468 38.000 0.018 0.000 1.073 82 I HN 0.170 nan 8.210 nan 0.000 0.424 83 A N 0.607 123.468 122.820 0.069 0.000 1.897 83 A HA -0.190 4.130 4.320 -0.001 0.000 0.215 83 A C 2.322 180.034 177.584 0.214 0.000 1.181 83 A CA 1.423 53.511 52.037 0.085 0.000 0.620 83 A CB -1.177 17.825 19.000 0.002 0.000 0.821 83 A HN 0.621 nan 8.150 nan 0.000 0.443 84 Y N 0.509 120.866 120.300 0.095 0.000 2.145 84 Y HA -0.196 4.354 4.550 -0.001 0.000 0.286 84 Y C 2.341 178.303 175.900 0.104 0.000 1.145 84 Y CA 2.327 60.512 58.100 0.142 0.000 1.148 84 Y CB -0.304 38.234 38.460 0.131 0.000 0.981 84 Y HN 0.407 nan 8.280 nan 0.000 0.507 85 E N -0.431 119.843 120.200 0.123 0.000 2.110 85 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 85 E C 2.003 178.519 176.600 -0.141 0.000 0.988 85 E CA 1.312 57.678 56.400 -0.056 0.000 0.804 85 E CB -0.628 29.105 29.700 0.053 0.000 0.745 85 E HN 0.556 nan 8.360 nan 0.000 0.458 86 F N -0.167 119.712 119.950 -0.119 0.000 2.126 86 F HA -0.248 4.279 4.527 -0.001 0.000 0.299 86 F C 1.771 177.458 175.800 -0.188 0.000 1.096 86 F CA 1.364 59.291 58.000 -0.122 0.000 1.255 86 F CB -0.036 38.924 39.000 -0.066 0.000 0.997 86 F HN -0.081 nan 8.300 nan 0.000 0.479 87 V N 0.104 119.838 119.914 -0.301 0.000 2.453 87 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 87 V C 2.265 177.992 176.094 -0.612 0.000 1.048 87 V CA 1.950 64.033 62.300 -0.362 0.000 1.049 87 V CB -0.869 30.929 31.823 -0.042 0.000 0.672 87 V HN 0.396 nan 8.190 nan 0.000 0.457 88 E N 0.027 119.633 120.200 -0.990 0.000 2.097 88 E HA -0.313 4.037 4.350 -0.001 0.000 0.196 88 E C 2.205 178.364 176.600 -0.735 0.000 1.000 88 E CA 1.983 57.544 56.400 -1.398 0.000 0.804 88 E CB -0.144 28.703 29.700 -1.421 0.000 0.740 88 E HN 0.583 nan 8.360 nan 0.000 0.454 89 M N 0.077 119.327 119.600 -0.583 0.000 2.132 89 M HA -0.152 4.328 4.480 -0.001 0.000 0.263 89 M C 1.704 177.756 176.300 -0.414 0.000 1.065 89 M CA 1.288 56.327 55.300 -0.436 0.000 1.122 89 M CB 0.134 32.505 32.600 -0.382 0.000 1.365 89 M HN -0.098 nan 8.290 nan 0.000 0.411 90 K N 0.479 120.555 120.400 -0.540 0.000 2.217 90 K HA 0.032 4.352 4.320 -0.001 0.000 0.202 90 K C 1.948 178.402 176.600 -0.243 0.000 1.051 90 K CA 1.179 57.238 56.287 -0.380 0.000 0.952 90 K CB -0.721 31.534 32.500 -0.409 0.000 0.736 90 K HN 0.434 nan 8.250 nan 0.000 0.453 91 A N 2.342 125.003 122.820 -0.265 0.000 1.873 91 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 91 A C 1.986 179.485 177.584 -0.143 0.000 1.193 91 A CA 2.071 54.009 52.037 -0.166 0.000 0.629 91 A CB -0.439 18.484 19.000 -0.128 0.000 0.826 91 A HN 0.368 nan 8.150 nan 0.000 0.447 92 K N -0.502 119.789 120.400 -0.183 0.000 2.283 92 K HA -0.091 4.229 4.320 -0.001 0.000 0.202 92 K C 0.589 177.113 176.600 -0.128 0.000 1.048 92 K CA 1.161 57.363 56.287 -0.141 0.000 0.948 92 K CB -0.206 32.207 32.500 -0.146 0.000 0.742 92 K HN 0.368 nan 8.250 nan 0.000 0.458 93 D N 0.157 120.473 120.400 -0.139 0.000 2.349 93 D HA 0.017 4.657 4.640 -0.001 0.000 0.224 93 D C 0.984 177.215 176.300 -0.114 0.000 1.029 93 D CA 0.731 54.660 54.000 -0.118 0.000 0.879 93 D CB 0.434 41.173 40.800 -0.102 0.000 0.906 93 D HN 0.413 nan 8.370 nan 0.000 0.528 94 G N 0.211 108.949 108.800 -0.103 0.000 2.132 94 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.228 94 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.228 94 G C 0.232 175.098 174.900 -0.056 0.000 1.000 94 G CA 0.048 45.094 45.100 -0.089 0.000 0.693 94 G HN 0.273 nan 8.290 nan 0.000 0.515 95 V N 0.938 120.822 119.914 -0.051 0.000 2.509 95 V HA 0.426 4.546 4.120 -0.001 0.000 0.284 95 V C 1.729 177.825 176.094 0.005 0.000 1.047 95 V CA 0.175 62.470 62.300 -0.009 0.000 0.952 95 V CB 1.653 33.461 31.823 -0.024 0.000 0.988 95 V HN 0.809 nan 8.190 nan 0.000 0.469 96 V N 1.903 121.843 119.914 0.044 0.000 3.590 96 V HA 0.342 4.462 4.120 -0.001 0.000 0.265 96 V C 0.022 176.205 176.094 0.148 0.000 1.239 96 V CA 0.355 62.692 62.300 0.062 0.000 1.117 96 V CB -0.611 31.232 31.823 0.034 0.000 0.818 96 V HN 0.720 nan 8.190 nan 0.000 0.451 97 Y N -0.365 119.942 120.300 0.012 0.000 2.390 97 Y HA 0.681 5.231 4.550 -0.001 0.000 0.324 97 Y C -1.464 174.464 175.900 0.047 0.000 1.151 97 Y CA -1.113 57.001 58.100 0.022 0.000 1.053 97 Y CB 1.916 40.374 38.460 -0.003 0.000 1.277 97 Y HN -0.039 nan 8.280 nan 0.000 0.432 98 V N 5.856 125.358 119.914 -0.687 0.000 2.888 98 V HA 0.595 4.714 4.120 -0.001 0.000 0.309 98 V C -1.581 174.145 176.094 -0.614 0.000 1.114 98 V CA -0.432 61.587 62.300 -0.468 0.000 0.940 98 V CB 2.246 34.036 31.823 -0.056 0.000 1.021 98 V HN 0.856 nan 8.190 nan 0.000 0.426 99 E N 3.773 123.750 120.200 -0.372 0.000 2.133 99 E HA 0.558 4.907 4.350 -0.001 0.000 0.274 99 E C -1.213 175.327 176.600 -0.099 0.000 0.930 99 E CA -0.404 55.872 56.400 -0.206 0.000 0.770 99 E CB 2.327 31.954 29.700 -0.123 0.000 1.104 99 E HN 0.575 nan 8.360 nan 0.000 0.403 100 V N 4.214 124.068 119.914 -0.100 0.000 2.667 100 V HA 0.602 4.722 4.120 -0.001 0.000 0.308 100 V C -0.829 175.214 176.094 -0.086 0.000 1.048 100 V CA -0.522 61.659 62.300 -0.200 0.000 0.928 100 V CB 1.414 32.899 31.823 -0.564 0.000 1.004 100 V HN 0.738 nan 8.190 nan 0.000 0.444 101 R N 5.207 125.648 120.500 -0.098 0.000 2.807 101 R HA 0.812 5.151 4.340 -0.001 0.000 0.276 101 R C -1.727 174.661 176.300 0.146 0.000 0.979 101 R CA -0.659 55.422 56.100 -0.032 0.000 0.928 101 R CB 1.923 32.106 30.300 -0.194 0.000 1.191 101 R HN 0.862 nan 8.270 nan 0.000 0.471 102 Y N -2.492 117.798 120.300 -0.017 0.000 2.702 102 Y HA 0.437 4.987 4.550 -0.001 0.000 0.336 102 Y C -1.505 174.451 175.900 0.094 0.000 1.203 102 Y CA -1.225 56.918 58.100 0.071 0.000 1.072 102 Y CB 1.375 39.858 38.460 0.039 0.000 1.327 102 Y HN 0.654 nan 8.280 nan 0.000 0.456 103 S N 3.307 119.115 115.700 0.180 0.000 2.422 103 S HA 0.394 4.864 4.470 -0.001 0.000 0.298 103 S C -1.783 172.922 174.600 0.176 0.000 1.118 103 S CA -1.649 56.612 58.200 0.102 0.000 1.083 103 S CB 0.948 64.292 63.200 0.240 0.000 0.971 103 S HN 0.595 nan 8.310 nan 0.000 0.478 104 P HA -0.097 nan 4.420 nan 0.000 0.219 104 P C 0.687 177.880 177.300 -0.177 0.000 1.150 104 P CA 1.284 64.399 63.100 0.025 0.000 0.814 104 P CB -0.085 31.534 31.700 -0.134 0.000 0.787 105 H N -0.006 118.917 119.070 -0.244 0.000 2.390 105 H HA -0.048 4.508 4.556 -0.001 0.000 0.298 105 H C 1.978 177.127 175.328 -0.299 0.000 1.106 105 H CA 1.156 56.875 56.048 -0.550 0.000 1.297 105 H CB -0.988 27.918 29.762 -1.428 0.000 1.375 105 H HN 0.080 nan 8.280 nan 0.000 0.509 106 L N 0.044 121.290 121.223 0.038 0.000 2.552 106 L HA -0.059 4.280 4.340 -0.001 0.000 0.227 106 L C 1.042 178.159 176.870 0.411 0.000 1.146 106 L CA 0.083 55.050 54.840 0.211 0.000 0.858 106 L CB 0.111 42.373 42.059 0.338 0.000 0.969 106 L HN 0.327 nan 8.230 nan 0.000 0.451 107 L N -0.426 120.931 121.223 0.224 0.000 2.640 107 L HA 0.296 4.636 4.340 -0.001 0.000 0.230 107 L C 1.184 178.106 176.870 0.087 0.000 1.123 107 L CA 0.251 55.193 54.840 0.171 0.000 0.900 107 L CB -0.538 41.579 42.059 0.097 0.000 1.146 107 L HN 0.058 nan 8.230 nan 0.000 0.484 108 A N 1.204 124.041 122.820 0.028 0.000 2.316 108 A HA 0.416 4.735 4.320 -0.001 0.000 0.284 108 A C 0.829 178.423 177.584 0.017 0.000 1.115 108 A CA -0.187 51.834 52.037 -0.028 0.000 0.812 108 A CB 0.288 19.206 19.000 -0.136 0.000 1.064 108 A HN 0.394 nan 8.150 nan 0.000 0.489 109 N N -0.320 118.386 118.700 0.011 0.000 2.194 109 N HA 0.153 4.892 4.740 -0.001 0.000 0.231 109 N C -0.569 174.948 175.510 0.012 0.000 1.247 109 N CA 0.440 53.508 53.050 0.029 0.000 0.884 109 N CB 0.729 39.246 38.487 0.050 0.000 1.146 109 N HN 0.483 nan 8.380 nan 0.000 0.516 110 S N 0.542 116.236 115.700 -0.011 0.000 2.537 110 S HA 0.360 4.830 4.470 -0.001 0.000 0.270 110 S C -1.185 173.400 174.600 -0.024 0.000 1.142 110 S CA -0.704 57.491 58.200 -0.009 0.000 0.870 110 S CB 0.585 63.782 63.200 -0.006 0.000 1.112 110 S HN 0.263 nan 8.310 nan 0.000 0.466 111 K N 0.469 120.865 120.400 -0.008 0.000 3.311 111 K HA -0.166 4.153 4.320 -0.001 0.000 0.270 111 K C -0.628 175.963 176.600 -0.016 0.000 0.927 111 K CA 0.768 57.052 56.287 -0.005 0.000 0.706 111 K CB -2.257 30.238 32.500 -0.009 0.000 1.418 111 K HN 0.730 nan 8.250 nan 0.000 0.459 112 V N 0.256 120.168 119.914 -0.003 0.000 2.653 112 V HA 0.309 4.429 4.120 -0.001 0.000 0.298 112 V C -1.395 174.758 176.094 0.099 0.000 1.097 112 V CA -0.584 61.712 62.300 -0.008 0.000 0.908 112 V CB 1.853 33.599 31.823 -0.128 0.000 1.024 112 V HN 0.383 nan 8.190 nan 0.000 0.435 113 E N 8.049 128.389 120.200 0.233 0.000 2.218 113 E HA 0.559 4.909 4.350 -0.001 0.000 0.263 113 E C -2.771 174.024 176.600 0.324 0.000 0.879 113 E CA -1.914 54.616 56.400 0.216 0.000 0.762 113 E CB 2.787 32.576 29.700 0.148 0.000 1.166 113 E HN 0.626 nan 8.360 nan 0.000 0.415 114 P HA 0.175 nan 4.420 nan 0.000 0.272 114 P C 0.075 177.483 177.300 0.180 0.000 1.223 114 P CA -0.191 62.994 63.100 0.142 0.000 0.784 114 P CB 0.733 32.472 31.700 0.063 0.000 0.923 115 I N 3.637 124.264 120.570 0.094 0.000 2.742 115 I HA 0.011 4.181 4.170 -0.001 0.000 0.287 115 I C -1.507 174.615 176.117 0.009 0.000 1.186 115 I CA -1.181 60.152 61.300 0.056 0.000 1.417 115 I CB -0.606 37.423 38.000 0.049 0.000 1.377 115 I HN 0.270 nan 8.210 nan 0.000 0.556 116 P HA -0.003 nan 4.420 nan 0.000 0.274 116 P C -0.660 176.548 177.300 -0.154 0.000 1.246 116 P CA -0.293 62.583 63.100 -0.374 0.000 0.795 116 P CB 0.219 31.448 31.700 -0.785 0.000 1.006 117 W N -0.575 120.763 121.300 0.064 0.000 4.551 117 W HA -0.257 4.402 4.660 -0.001 0.000 0.343 117 W C 0.206 176.743 176.519 0.031 0.000 1.269 117 W CA 0.555 57.921 57.345 0.034 0.000 0.799 117 W CB -3.270 26.208 29.460 0.029 0.000 2.352 117 W HN 0.540 nan 8.180 nan 0.000 1.462 118 N N -1.169 117.624 118.700 0.155 0.000 2.725 118 N HA -0.251 4.488 4.740 -0.001 0.000 0.249 118 N C 0.233 175.816 175.510 0.122 0.000 1.103 118 N CA 1.131 54.251 53.050 0.117 0.000 0.707 118 N CB -0.810 37.740 38.487 0.105 0.000 1.043 118 N HN 0.557 nan 8.380 nan 0.000 0.553 119 Q N 0.223 120.108 119.800 0.141 0.000 2.394 119 Q HA 0.557 4.897 4.340 -0.001 0.000 0.248 119 Q C 0.550 176.599 176.000 0.082 0.000 0.992 119 Q CA 0.108 55.985 55.803 0.123 0.000 0.888 119 Q CB 0.836 29.658 28.738 0.141 0.000 1.257 119 Q HN 0.407 nan 8.270 nan 0.000 0.462 120 A N 1.847 124.708 122.820 0.068 0.000 2.280 120 A HA 0.099 4.418 4.320 -0.001 0.000 0.268 120 A C -0.196 177.417 177.584 0.047 0.000 1.111 120 A CA -0.315 51.753 52.037 0.051 0.000 0.814 120 A CB 0.347 19.373 19.000 0.043 0.000 1.093 120 A HN 0.770 nan 8.150 nan 0.000 0.498 121 E N -0.179 120.043 120.200 0.037 0.000 2.070 121 E HA 0.373 4.722 4.350 -0.001 0.000 0.282 121 E C 0.639 177.255 176.600 0.027 0.000 1.104 121 E CA 0.035 56.454 56.400 0.032 0.000 0.876 121 E CB 0.489 30.205 29.700 0.026 0.000 1.055 121 E HN 0.725 nan 8.360 nan 0.000 0.401 122 G N 2.695 111.512 108.800 0.027 0.000 3.022 122 G HA2 0.019 3.979 3.960 -0.001 0.000 0.157 122 G HA3 0.019 3.979 3.960 -0.001 0.000 0.157 122 G C 0.152 175.060 174.900 0.014 0.000 1.468 122 G CA -0.025 45.088 45.100 0.021 0.000 1.058 122 G HN 0.665 nan 8.290 nan 0.000 0.581 123 D N -0.939 119.467 120.400 0.010 0.000 2.650 123 D HA 0.136 4.776 4.640 -0.001 0.000 0.265 123 D C -0.123 176.175 176.300 -0.002 0.000 1.339 123 D CA -0.278 53.725 54.000 0.004 0.000 0.816 123 D CB -0.064 40.739 40.800 0.006 0.000 1.091 123 D HN 0.186 nan 8.370 nan 0.000 0.483 124 L N 2.213 123.433 121.223 -0.005 0.000 2.280 124 L HA 0.366 4.706 4.340 -0.001 0.000 0.287 124 L C 0.118 176.969 176.870 -0.033 0.000 1.023 124 L CA -0.201 54.630 54.840 -0.016 0.000 0.819 124 L CB 1.437 43.487 42.059 -0.014 0.000 1.212 124 L HN 0.067 nan 8.230 nan 0.000 0.420 125 T N 1.646 116.176 114.554 -0.039 0.000 2.874 125 T HA 0.391 4.741 4.350 -0.001 0.000 0.281 125 T C -1.947 172.685 174.700 -0.113 0.000 0.994 125 T CA -1.596 60.465 62.100 -0.066 0.000 1.015 125 T CB 1.452 70.293 68.868 -0.046 0.000 1.028 125 T HN 0.378 nan 8.240 nan 0.000 0.523 126 P HA -0.041 nan 4.420 nan 0.000 0.217 126 P C 1.278 178.478 177.300 -0.167 0.000 1.150 126 P CA 0.762 63.678 63.100 -0.307 0.000 0.832 126 P CB 0.000 31.283 31.700 -0.695 0.000 0.787 127 D N 0.023 120.372 120.400 -0.085 0.000 2.117 127 D HA -0.189 4.451 4.640 -0.001 0.000 0.198 127 D C 1.815 178.131 176.300 0.027 0.000 0.982 127 D CA 1.071 55.097 54.000 0.043 0.000 0.828 127 D CB -0.139 40.710 40.800 0.083 0.000 0.967 127 D HN 0.155 nan 8.370 nan 0.000 0.464 128 E N -0.157 120.038 120.200 -0.008 0.000 2.110 128 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 128 E C 2.345 178.906 176.600 -0.065 0.000 0.988 128 E CA 0.520 56.904 56.400 -0.026 0.000 0.804 128 E CB 0.255 29.945 29.700 -0.018 0.000 0.745 128 E HN 0.142 nan 8.360 nan 0.000 0.458 129 V N 0.675 120.550 119.914 -0.065 0.000 2.282 129 V HA -0.286 3.834 4.120 -0.001 0.000 0.249 129 V C 2.407 178.464 176.094 -0.061 0.000 1.057 129 V CA 1.541 63.808 62.300 -0.055 0.000 1.032 129 V CB -0.517 31.291 31.823 -0.025 0.000 0.645 129 V HN 0.165 nan 8.190 nan 0.000 0.447 130 V N 1.038 120.894 119.914 -0.097 0.000 2.343 130 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 130 V C 2.627 178.483 176.094 -0.397 0.000 1.051 130 V CA 2.287 64.476 62.300 -0.185 0.000 1.036 130 V CB -0.883 30.760 31.823 -0.299 0.000 0.654 130 V HN 0.767 nan 8.190 nan 0.000 0.451 131 S N 0.501 115.908 115.700 -0.489 0.000 2.402 131 S HA -0.090 4.380 4.470 -0.001 0.000 0.229 131 S C 1.928 176.434 174.600 -0.157 0.000 1.021 131 S CA 1.282 59.277 58.200 -0.341 0.000 0.974 131 S CB -0.642 62.459 63.200 -0.164 0.000 0.800 131 S HN 0.529 nan 8.310 nan 0.000 0.484 132 L N 1.204 122.358 121.223 -0.116 0.000 2.083 132 L HA -0.044 4.295 4.340 -0.001 0.000 0.209 132 L C 2.591 179.407 176.870 -0.090 0.000 1.083 132 L CA 0.825 55.615 54.840 -0.083 0.000 0.752 132 L CB -0.879 41.137 42.059 -0.071 0.000 0.899 132 L HN 0.214 nan 8.230 nan 0.000 0.433 133 V N 0.124 119.960 119.914 -0.131 0.000 2.427 133 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 133 V C 2.098 178.149 176.094 -0.072 0.000 1.051 133 V CA 1.884 64.091 62.300 -0.154 0.000 1.048 133 V CB -0.802 30.830 31.823 -0.318 0.000 0.666 133 V HN 0.491 nan 8.190 nan 0.000 0.456 134 N N -0.061 118.595 118.700 -0.074 0.000 2.036 134 N HA -0.285 4.454 4.740 -0.001 0.000 0.195 134 N C 1.916 177.435 175.510 0.015 0.000 1.037 134 N CA 1.721 54.754 53.050 -0.030 0.000 0.855 134 N CB -0.204 38.235 38.487 -0.081 0.000 1.033 134 N HN 0.588 nan 8.380 nan 0.000 0.423 135 Q N 0.157 119.957 119.800 0.000 0.000 2.029 135 Q HA -0.190 4.150 4.340 -0.001 0.000 0.209 135 Q C 2.397 178.438 176.000 0.068 0.000 0.999 135 Q CA 1.727 57.546 55.803 0.027 0.000 0.857 135 Q CB -0.524 28.216 28.738 0.003 0.000 0.926 135 Q HN 0.478 nan 8.270 nan 0.000 0.415 136 G N 0.708 109.547 108.800 0.065 0.000 2.446 136 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 136 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 136 G C 1.297 176.337 174.900 0.233 0.000 1.168 136 G CA 0.723 45.919 45.100 0.159 0.000 0.771 136 G HN 0.109 nan 8.290 nan 0.000 0.551 137 L N 0.465 121.770 121.223 0.137 0.000 2.046 137 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 137 L C 3.015 179.977 176.870 0.152 0.000 1.077 137 L CA 1.543 56.471 54.840 0.147 0.000 0.747 137 L CB -1.143 40.972 42.059 0.092 0.000 0.896 137 L HN 0.343 nan 8.230 nan 0.000 0.432 138 Q N -0.933 118.942 119.800 0.126 0.000 2.083 138 Q HA -0.185 4.155 4.340 -0.001 0.000 0.198 138 Q C 2.082 178.160 176.000 0.129 0.000 0.969 138 Q CA 1.459 57.330 55.803 0.113 0.000 0.838 138 Q CB -0.034 28.755 28.738 0.086 0.000 0.900 138 Q HN 0.568 nan 8.270 nan 0.000 0.436 139 E N 0.113 120.411 120.200 0.163 0.000 2.072 139 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 139 E C 2.059 178.860 176.600 0.335 0.000 0.985 139 E CA 0.856 57.372 56.400 0.194 0.000 0.801 139 E CB -0.284 29.487 29.700 0.118 0.000 0.750 139 E HN 0.452 nan 8.360 nan 0.000 0.452 140 G N 1.733 110.799 108.800 0.443 0.000 2.529 140 G HA2 -0.420 3.539 3.960 -0.001 0.000 0.219 140 G HA3 -0.420 3.539 3.960 -0.001 0.000 0.219 140 G C 1.450 176.450 174.900 0.168 0.000 1.177 140 G CA 1.333 46.554 45.100 0.202 0.000 0.773 140 G HN 0.377 nan 8.290 nan 0.000 0.573 141 E N 0.044 120.329 120.200 0.141 0.000 2.058 141 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 141 E C 2.640 179.271 176.600 0.052 0.000 0.997 141 E CA 1.116 57.578 56.400 0.104 0.000 0.801 141 E CB -0.031 29.731 29.700 0.104 0.000 0.746 141 E HN 0.195 nan 8.360 nan 0.000 0.450 142 R N 0.816 121.339 120.500 0.038 0.000 2.152 142 R HA -0.086 4.253 4.340 -0.001 0.000 0.232 142 R C 1.484 177.738 176.300 -0.076 0.000 1.117 142 R CA 1.340 57.438 56.100 -0.002 0.000 0.981 142 R CB -0.603 29.704 30.300 0.012 0.000 0.870 142 R HN 0.384 nan 8.270 nan 0.000 0.451 143 D N -0.751 119.539 120.400 -0.184 0.000 2.277 143 D HA 0.026 4.666 4.640 -0.001 0.000 0.209 143 D C 1.296 177.245 176.300 -0.584 0.000 0.970 143 D CA 0.726 54.455 54.000 -0.451 0.000 0.874 143 D CB -0.067 40.296 40.800 -0.729 0.000 0.982 143 D HN 0.238 nan 8.370 nan 0.000 0.504 144 F N -0.418 119.501 119.950 -0.051 0.000 2.731 144 F HA 0.312 4.839 4.527 -0.000 0.000 0.298 144 F C 1.652 177.418 175.800 -0.057 0.000 1.106 144 F CA 0.074 58.026 58.000 -0.079 0.000 1.329 144 F CB 0.563 39.471 39.000 -0.153 0.000 1.100 144 F HN -0.022 nan 8.300 nan 0.000 0.592 145 G N 1.387 110.231 108.800 0.074 0.000 2.160 145 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.244 145 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.244 145 G C -0.383 174.553 174.900 0.059 0.000 1.022 145 G CA -0.010 45.120 45.100 0.050 0.000 0.741 145 G HN 0.176 nan 8.290 nan 0.000 0.508 146 V N 0.738 120.698 119.914 0.077 0.000 2.459 146 V HA 0.519 4.639 4.120 -0.001 0.000 0.295 146 V C 0.639 176.789 176.094 0.093 0.000 1.029 146 V CA -0.885 61.454 62.300 0.066 0.000 0.874 146 V CB 1.819 33.658 31.823 0.026 0.000 0.985 146 V HN 0.365 nan 8.190 nan 0.000 0.438 147 K N 4.273 124.755 120.400 0.136 0.000 2.276 147 K HA 0.607 4.927 4.320 -0.001 0.000 0.283 147 K C -1.374 175.337 176.600 0.185 0.000 1.044 147 K CA -0.266 56.141 56.287 0.200 0.000 0.944 147 K CB 1.263 33.930 32.500 0.277 0.000 1.012 147 K HN 0.478 nan 8.250 nan 0.000 0.472 148 V N 5.596 125.600 119.914 0.149 0.000 2.525 148 V HA 0.480 4.600 4.120 -0.001 0.000 0.299 148 V C -0.380 175.777 176.094 0.104 0.000 1.034 148 V CA -0.964 61.372 62.300 0.060 0.000 0.863 148 V CB 1.590 33.478 31.823 0.109 0.000 0.999 148 V HN 0.820 nan 8.190 nan 0.000 0.423 149 R N 2.038 122.557 120.500 0.032 0.000 2.888 149 R HA 0.811 5.150 4.340 -0.001 0.000 0.266 149 R C -0.341 175.996 176.300 0.062 0.000 1.020 149 R CA -0.587 55.580 56.100 0.111 0.000 0.963 149 R CB 2.409 32.843 30.300 0.223 0.000 1.197 149 R HN 0.826 nan 8.270 nan 0.000 0.481 150 S N 0.137 115.895 115.700 0.097 0.000 2.689 150 S HA 0.728 5.198 4.470 -0.001 0.000 0.306 150 S C -0.087 174.561 174.600 0.080 0.000 1.104 150 S CA -0.794 57.458 58.200 0.087 0.000 0.973 150 S CB 1.418 64.709 63.200 0.152 0.000 1.121 150 S HN 0.476 nan 8.310 nan 0.000 0.523 151 I N 1.334 121.922 120.570 0.030 0.000 2.512 151 I HA 0.307 4.476 4.170 -0.001 0.000 0.287 151 I C -1.166 174.864 176.117 -0.144 0.000 1.069 151 I CA -0.723 60.575 61.300 -0.003 0.000 1.056 151 I CB 1.805 39.829 38.000 0.041 0.000 1.229 151 I HN 0.530 nan 8.210 nan 0.000 0.429 152 L N 5.072 126.187 121.223 -0.180 0.000 2.326 152 L HA 0.447 4.787 4.340 -0.001 0.000 0.278 152 L C -0.515 176.285 176.870 -0.117 0.000 1.092 152 L CA -0.561 54.108 54.840 -0.284 0.000 0.810 152 L CB 1.182 43.079 42.059 -0.270 0.000 1.153 152 L HN 0.574 nan 8.230 nan 0.000 0.439 153 C N 1.897 121.146 119.300 -0.084 0.000 2.307 153 C HA 0.385 4.845 4.460 -0.001 0.000 0.340 153 C C 0.801 175.854 174.990 0.106 0.000 1.275 153 C CA -1.106 57.941 59.018 0.049 0.000 1.811 153 C CB 0.056 27.854 27.740 0.096 0.000 2.372 153 C HN 0.852 nan 8.230 nan 0.000 0.531 154 C N 4.445 123.823 119.300 0.130 0.000 2.745 154 C HA 0.317 4.776 4.460 -0.001 0.000 0.387 154 C C 0.457 175.500 174.990 0.087 0.000 1.312 154 C CA -0.268 58.843 59.018 0.155 0.000 2.204 154 C CB -0.278 27.545 27.740 0.138 0.000 2.686 154 C HN 0.725 nan 8.230 nan 0.000 0.705 155 M N 1.572 121.214 119.600 0.071 0.000 2.243 155 M HA 0.313 4.793 4.480 -0.001 0.000 0.324 155 M C 1.101 177.335 176.300 -0.110 0.000 1.031 155 M CA -0.282 54.992 55.300 -0.044 0.000 0.949 155 M CB 1.149 33.689 32.600 -0.101 0.000 1.615 155 M HN 0.729 nan 8.290 nan 0.000 0.430 156 R N 1.344 121.814 120.500 -0.050 0.000 2.134 156 R HA -0.213 4.127 4.340 -0.001 0.000 0.248 156 R C 1.650 178.126 176.300 0.294 0.000 1.143 156 R CA 2.246 58.384 56.100 0.064 0.000 0.957 156 R CB -0.406 29.903 30.300 0.016 0.000 0.867 156 R HN 0.741 nan 8.270 nan 0.000 0.441 157 H N -0.933 118.200 119.070 0.106 0.000 2.556 157 H HA 0.082 4.638 4.556 -0.000 0.000 0.268 157 H C 0.067 175.324 175.328 -0.118 0.000 0.996 157 H CA 0.413 56.493 56.048 0.054 0.000 1.157 157 H CB 0.420 30.155 29.762 -0.045 0.000 1.355 157 H HN 0.067 nan 8.280 nan 0.000 0.597 158 Q N 1.447 120.823 119.800 -0.708 0.000 3.075 158 Q HA 0.203 4.543 4.340 -0.001 0.000 0.318 158 Q C -2.029 173.655 176.000 -0.527 0.000 0.907 158 Q CA -1.738 53.557 55.803 -0.848 0.000 0.882 158 Q CB 1.852 29.599 28.738 -1.652 0.000 1.386 158 Q HN 0.367 nan 8.270 nan 0.000 0.408 159 P HA -0.125 nan 4.420 nan 0.000 0.225 159 P C 1.018 178.141 177.300 -0.296 0.000 1.148 159 P CA 0.983 63.777 63.100 -0.510 0.000 0.779 159 P CB 0.285 31.501 31.700 -0.807 0.000 0.780 160 S N -2.853 112.653 115.700 -0.324 0.000 2.603 160 S HA -0.050 4.420 4.470 -0.001 0.000 0.229 160 S C 1.363 175.970 174.600 0.011 0.000 0.972 160 S CA -0.101 57.998 58.200 -0.168 0.000 0.935 160 S CB -1.048 62.060 63.200 -0.152 0.000 0.769 160 S HN 0.097 nan 8.310 nan 0.000 0.536 161 W N 2.030 123.201 121.300 -0.216 0.000 3.003 161 W HA 0.422 5.082 4.660 -0.000 0.000 0.257 161 W C 2.081 178.518 176.519 -0.136 0.000 1.308 161 W CA -0.811 56.328 57.345 -0.342 0.000 1.529 161 W CB -1.191 27.822 29.460 -0.745 0.000 1.115 161 W HN 0.321 nan 8.180 nan 0.000 0.659 162 S N 0.193 115.996 115.700 0.172 0.000 2.428 162 S HA -0.163 4.307 4.470 -0.001 0.000 0.230 162 S C 2.065 176.755 174.600 0.150 0.000 1.014 162 S CA 1.553 59.878 58.200 0.209 0.000 0.957 162 S CB -0.399 62.985 63.200 0.307 0.000 0.784 162 S HN 0.293 nan 8.310 nan 0.000 0.499 163 S N 1.554 117.321 115.700 0.112 0.000 2.423 163 S HA -0.047 4.422 4.470 -0.001 0.000 0.231 163 S C 1.598 176.249 174.600 0.084 0.000 1.014 163 S CA 0.841 59.089 58.200 0.080 0.000 0.965 163 S CB -0.271 62.961 63.200 0.053 0.000 0.785 163 S HN 0.507 nan 8.310 nan 0.000 0.495 164 E N 0.613 120.889 120.200 0.126 0.000 2.051 164 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 164 E C 2.097 178.788 176.600 0.152 0.000 0.991 164 E CA 1.487 57.978 56.400 0.152 0.000 0.799 164 E CB -0.393 29.463 29.700 0.260 0.000 0.748 164 E HN 0.459 nan 8.360 nan 0.000 0.449 165 V N 1.210 121.243 119.914 0.199 0.000 2.222 165 V HA -0.348 3.772 4.120 -0.001 0.000 0.252 165 V C 2.567 178.686 176.094 0.041 0.000 1.060 165 V CA 2.274 64.649 62.300 0.124 0.000 1.027 165 V CB -1.230 30.674 31.823 0.135 0.000 0.644 165 V HN 0.285 nan 8.190 nan 0.000 0.448 166 V N -1.717 118.208 119.914 0.019 0.000 2.490 166 V HA -0.184 3.936 4.120 -0.001 0.000 0.250 166 V C 2.397 178.476 176.094 -0.024 0.000 1.061 166 V CA 1.941 64.220 62.300 -0.036 0.000 1.064 166 V CB -0.912 30.876 31.823 -0.059 0.000 0.670 166 V HN 0.486 nan 8.190 nan 0.000 0.461 167 E N 0.615 120.815 120.200 0.000 0.000 2.047 167 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 167 E C 2.229 178.822 176.600 -0.013 0.000 0.987 167 E CA 1.090 57.483 56.400 -0.011 0.000 0.799 167 E CB -0.452 29.249 29.700 0.001 0.000 0.752 167 E HN 0.436 nan 8.360 nan 0.000 0.449 168 L N 0.888 122.128 121.223 0.028 0.000 1.990 168 L HA -0.216 4.124 4.340 -0.001 0.000 0.213 168 L C 2.651 179.576 176.870 0.092 0.000 1.072 168 L CA 1.354 56.245 54.840 0.085 0.000 0.755 168 L CB -1.647 40.480 42.059 0.113 0.000 0.889 168 L HN 0.205 nan 8.230 nan 0.000 0.432 169 C N -0.351 118.971 119.300 0.036 0.000 2.396 169 C HA -0.226 4.234 4.460 -0.001 0.000 0.277 169 C C 2.691 177.681 174.990 -0.000 0.000 1.231 169 C CA 0.891 59.919 59.018 0.018 0.000 1.775 169 C CB -0.920 26.793 27.740 -0.045 0.000 2.036 169 C HN 0.508 nan 8.230 nan 0.000 0.484 170 K N 0.608 120.987 120.400 -0.036 0.000 2.116 170 K HA -0.096 4.223 4.320 -0.001 0.000 0.203 170 K C 2.152 178.698 176.600 -0.089 0.000 1.052 170 K CA 0.689 56.940 56.287 -0.059 0.000 0.952 170 K CB -0.203 32.257 32.500 -0.067 0.000 0.729 170 K HN 0.460 nan 8.250 nan 0.000 0.446 171 K N 0.783 121.099 120.400 -0.140 0.000 1.991 171 K HA -0.162 4.158 4.320 -0.001 0.000 0.212 171 K C 0.924 177.271 176.600 -0.422 0.000 1.049 171 K CA 1.581 57.676 56.287 -0.319 0.000 0.932 171 K CB -0.074 32.136 32.500 -0.484 0.000 0.717 171 K HN 0.110 nan 8.250 nan 0.000 0.441 172 Y N 1.977 122.273 120.300 -0.006 0.000 2.547 172 Y HA 0.087 4.637 4.550 -0.001 0.000 0.325 172 Y C 0.112 176.020 175.900 0.012 0.000 1.165 172 Y CA -0.355 57.750 58.100 0.008 0.000 1.300 172 Y CB -0.344 38.125 38.460 0.015 0.000 1.126 172 Y HN 0.077 nan 8.280 nan 0.000 0.513 173 R N 0.053 120.598 120.500 0.075 0.000 2.594 173 R HA 0.047 4.387 4.340 -0.001 0.000 0.272 173 R C 0.650 176.994 176.300 0.073 0.000 1.074 173 R CA -0.276 55.862 56.100 0.065 0.000 1.105 173 R CB 0.393 30.701 30.300 0.014 0.000 1.008 173 R HN 0.380 nan 8.270 nan 0.000 0.472 174 E N -0.073 120.178 120.200 0.085 0.000 3.023 174 E HA -0.326 4.023 4.350 -0.001 0.000 0.268 174 E C -0.171 176.494 176.600 0.108 0.000 1.099 174 E CA 1.644 58.104 56.400 0.099 0.000 0.762 174 E CB -0.157 29.594 29.700 0.085 0.000 1.380 174 E HN 0.732 nan 8.360 nan 0.000 0.456 175 Q N 0.136 120.009 119.800 0.123 0.000 2.553 175 Q HA 0.091 4.431 4.340 -0.001 0.000 0.395 175 Q C 0.373 176.455 176.000 0.136 0.000 0.971 175 Q CA 0.314 56.196 55.803 0.132 0.000 1.090 175 Q CB 0.331 29.165 28.738 0.159 0.000 1.328 175 Q HN 0.219 nan 8.270 nan 0.000 0.413 176 T N -3.527 111.095 114.554 0.115 0.000 3.174 176 T HA 0.177 4.527 4.350 -0.001 0.000 0.269 176 T C 0.274 175.050 174.700 0.127 0.000 1.017 176 T CA -0.277 61.895 62.100 0.119 0.000 0.899 176 T CB 0.590 69.523 68.868 0.108 0.000 1.077 176 T HN 0.135 nan 8.240 nan 0.000 0.552 177 V N 2.496 122.487 119.914 0.129 0.000 2.488 177 V HA 0.548 4.667 4.120 -0.001 0.000 0.277 177 V C 1.004 177.161 176.094 0.106 0.000 1.046 177 V CA -0.115 62.252 62.300 0.111 0.000 0.986 177 V CB 1.180 33.059 31.823 0.092 0.000 0.989 177 V HN 0.432 nan 8.190 nan 0.000 0.475 178 V N 3.423 123.410 119.914 0.123 0.000 3.502 178 V HA 0.876 4.996 4.120 -0.001 0.000 0.288 178 V C 0.426 176.570 176.094 0.083 0.000 1.461 178 V CA 0.603 62.991 62.300 0.147 0.000 1.029 178 V CB -0.321 31.650 31.823 0.247 0.000 0.843 178 V HN 1.520 nan 8.190 nan 0.000 0.438 179 A N 0.049 122.893 122.820 0.039 0.000 2.564 179 A HA 0.836 5.155 4.320 -0.001 0.000 0.291 179 A C -1.596 175.951 177.584 -0.061 0.000 1.102 179 A CA -0.363 51.633 52.037 -0.068 0.000 0.660 179 A CB 1.739 20.721 19.000 -0.031 0.000 1.283 179 A HN 0.517 nan 8.150 nan 0.000 0.430 180 I N 0.132 120.624 120.570 -0.130 0.000 2.693 180 I HA 0.708 4.878 4.170 -0.001 0.000 0.303 180 I C -1.190 174.933 176.117 0.010 0.000 1.025 180 I CA -0.390 60.838 61.300 -0.120 0.000 1.086 180 I CB 1.880 39.691 38.000 -0.315 0.000 1.268 180 I HN 0.824 nan 8.210 nan 0.000 0.440 181 D N 4.665 125.128 120.400 0.104 0.000 2.566 181 D HA 0.523 5.162 4.640 -0.001 0.000 0.254 181 D C -1.867 174.606 176.300 0.289 0.000 1.090 181 D CA -0.435 53.713 54.000 0.247 0.000 1.034 181 D CB 2.142 43.055 40.800 0.188 0.000 1.434 181 D HN 0.423 nan 8.370 nan 0.000 0.509 182 L N 1.513 122.912 121.223 0.292 0.000 2.372 182 L HA 0.867 5.207 4.340 -0.001 0.000 0.274 182 L C -1.363 175.541 176.870 0.058 0.000 0.988 182 L CA -0.250 54.653 54.840 0.104 0.000 0.833 182 L CB 0.944 42.960 42.059 -0.072 0.000 1.236 182 L HN 0.533 nan 8.230 nan 0.000 0.410 183 A N 2.985 125.782 122.820 -0.038 0.000 2.435 183 A HA 1.037 5.356 4.320 -0.001 0.000 0.296 183 A C 0.385 177.907 177.584 -0.104 0.000 1.147 183 A CA -0.013 51.893 52.037 -0.219 0.000 0.775 183 A CB 1.075 20.054 19.000 -0.035 0.000 1.340 183 A HN 1.827 nan 8.150 nan 0.000 0.427 184 G N -0.141 108.599 108.800 -0.099 0.000 2.516 184 G HA2 0.027 3.987 3.960 -0.001 0.000 0.220 184 G HA3 0.027 3.987 3.960 -0.001 0.000 0.220 184 G C -0.636 174.271 174.900 0.011 0.000 1.165 184 G CA 0.248 45.354 45.100 0.009 0.000 1.013 184 G HN 1.242 nan 8.290 nan 0.000 0.590 185 D N 1.970 122.395 120.400 0.041 0.000 2.422 185 D HA 0.369 5.008 4.640 -0.001 0.000 0.227 185 D C 1.721 178.015 176.300 -0.011 0.000 1.190 185 D CA 0.433 54.444 54.000 0.018 0.000 0.905 185 D CB 0.473 41.282 40.800 0.014 0.000 1.034 185 D HN 0.651 nan 8.370 nan 0.000 0.507 186 E N 1.065 121.253 120.200 -0.021 0.000 2.472 186 E HA -0.181 4.169 4.350 -0.001 0.000 0.200 186 E C 1.120 177.680 176.600 -0.066 0.000 1.046 186 E CA 0.989 57.361 56.400 -0.047 0.000 0.871 186 E CB -0.232 29.454 29.700 -0.024 0.000 0.806 186 E HN 0.394 nan 8.360 nan 0.000 0.533 187 T N -0.865 113.658 114.554 -0.052 0.000 3.113 187 T HA 0.119 4.468 4.350 -0.001 0.000 0.256 187 T C 0.908 175.579 174.700 -0.049 0.000 1.131 187 T CA -0.352 61.714 62.100 -0.057 0.000 1.074 187 T CB -0.521 68.319 68.868 -0.047 0.000 0.944 187 T HN 0.129 nan 8.240 nan 0.000 0.516 188 I N 2.743 123.287 120.570 -0.043 0.000 2.742 188 I HA 0.035 4.204 4.170 -0.001 0.000 0.287 188 I C 0.432 176.506 176.117 -0.071 0.000 1.186 188 I CA 0.033 61.321 61.300 -0.020 0.000 1.417 188 I CB 0.229 38.244 38.000 0.025 0.000 1.377 188 I HN 0.315 nan 8.210 nan 0.000 0.556 189 E N 5.126 125.320 120.200 -0.010 0.000 2.417 189 E HA 0.127 4.476 4.350 -0.001 0.000 0.261 189 E C 1.149 177.724 176.600 -0.041 0.000 1.000 189 E CA 0.750 57.137 56.400 -0.021 0.000 0.919 189 E CB 0.446 30.160 29.700 0.023 0.000 0.955 189 E HN 0.938 nan 8.360 nan 0.000 0.455 190 G N 2.646 111.383 108.800 -0.105 0.000 2.234 190 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.260 190 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.260 190 G C 1.221 175.809 174.900 -0.520 0.000 0.987 190 G CA 0.712 45.736 45.100 -0.127 0.000 0.625 190 G HN 0.657 nan 8.290 nan 0.000 0.532 191 S N 0.476 115.688 115.700 -0.813 0.000 2.400 191 S HA -0.064 4.406 4.470 -0.001 0.000 0.232 191 S C 2.276 176.385 174.600 -0.818 0.000 1.025 191 S CA 2.063 59.294 58.200 -1.616 0.000 0.993 191 S CB -0.498 62.233 63.200 -0.781 0.000 0.808 191 S HN 0.929 nan 8.310 nan 0.000 0.478 192 S N 1.598 117.049 115.700 -0.416 0.000 2.442 192 S HA 0.115 4.584 4.470 -0.001 0.000 0.236 192 S C 1.125 175.647 174.600 -0.130 0.000 1.007 192 S CA 0.771 58.828 58.200 -0.238 0.000 0.965 192 S CB -0.279 62.814 63.200 -0.178 0.000 0.773 192 S HN 0.344 nan 8.310 nan 0.000 0.504 193 L N 0.532 121.681 121.223 -0.122 0.000 2.728 193 L HA 0.420 4.760 4.340 -0.001 0.000 0.238 193 L C -0.460 176.500 176.870 0.150 0.000 1.143 193 L CA -0.316 54.531 54.840 0.011 0.000 0.937 193 L CB -1.207 40.858 42.059 0.012 0.000 1.225 193 L HN 0.141 nan 8.230 nan 0.000 0.507 194 F N 1.438 121.395 119.950 0.013 0.000 2.607 194 F HA 0.142 4.668 4.527 -0.001 0.000 0.374 194 F C -0.775 174.969 175.800 -0.093 0.000 1.104 194 F CA -2.140 55.811 58.000 -0.081 0.000 1.296 194 F CB -0.432 38.434 39.000 -0.224 0.000 1.085 194 F HN -0.039 nan 8.300 nan 0.000 0.584 195 P HA -0.085 nan 4.420 nan 0.000 0.218 195 P C 1.749 179.058 177.300 0.016 0.000 1.149 195 P CA 1.723 64.845 63.100 0.037 0.000 0.817 195 P CB 0.128 31.828 31.700 -0.001 0.000 0.785 196 G N -0.754 108.004 108.800 -0.069 0.000 2.469 196 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 196 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 196 G C 1.236 176.151 174.900 0.025 0.000 1.150 196 G CA 1.068 46.111 45.100 -0.095 0.000 0.763 196 G HN 0.367 nan 8.290 nan 0.000 0.561 197 H N -0.833 118.315 119.070 0.131 0.000 2.372 197 H HA 0.054 4.609 4.556 -0.001 0.000 0.301 197 H C 2.794 178.221 175.328 0.165 0.000 1.065 197 H CA 0.451 56.587 56.048 0.147 0.000 1.364 197 H CB 0.135 29.940 29.762 0.072 0.000 1.406 197 H HN 0.184 nan 8.280 nan 0.000 0.521 198 V N 1.030 121.076 119.914 0.221 0.000 2.250 198 V HA -0.318 3.802 4.120 -0.001 0.000 0.250 198 V C 2.322 178.513 176.094 0.163 0.000 1.060 198 V CA 1.844 64.235 62.300 0.152 0.000 1.030 198 V CB -0.399 31.478 31.823 0.091 0.000 0.643 198 V HN 0.420 nan 8.190 nan 0.000 0.445 199 Q N -0.579 119.297 119.800 0.127 0.000 2.123 199 Q HA -0.008 4.332 4.340 -0.001 0.000 0.199 199 Q C 2.380 178.445 176.000 0.109 0.000 0.966 199 Q CA 1.738 57.598 55.803 0.095 0.000 0.845 199 Q CB -0.928 27.846 28.738 0.059 0.000 0.907 199 Q HN 0.653 nan 8.270 nan 0.000 0.439 200 A N -0.324 122.587 122.820 0.153 0.000 1.892 200 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 200 A C 1.805 179.440 177.584 0.085 0.000 1.188 200 A CA 1.661 53.777 52.037 0.130 0.000 0.631 200 A CB -0.898 18.208 19.000 0.177 0.000 0.822 200 A HN 0.390 nan 8.150 nan 0.000 0.447 201 Y N -0.462 119.866 120.300 0.046 0.000 2.395 201 Y HA 0.110 4.659 4.550 -0.000 0.000 0.293 201 Y C 2.811 178.715 175.900 0.007 0.000 1.123 201 Y CA 0.263 58.376 58.100 0.022 0.000 1.227 201 Y CB -0.541 37.935 38.460 0.026 0.000 1.012 201 Y HN 0.336 nan 8.280 nan 0.000 0.552 202 A N -0.179 122.726 122.820 0.140 0.000 1.930 202 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 202 A C 2.096 179.691 177.584 0.017 0.000 1.175 202 A CA 1.806 53.883 52.037 0.066 0.000 0.627 202 A CB -0.474 18.561 19.000 0.059 0.000 0.815 202 A HN 0.329 nan 8.150 nan 0.000 0.443 203 E N 0.440 120.644 120.200 0.007 0.000 2.110 203 E HA -0.071 4.279 4.350 -0.001 0.000 0.193 203 E C 1.990 178.550 176.600 -0.066 0.000 0.988 203 E CA 1.455 57.840 56.400 -0.026 0.000 0.804 203 E CB -0.476 29.211 29.700 -0.021 0.000 0.745 203 E HN 0.476 nan 8.360 nan 0.000 0.458 204 A N -0.095 122.665 122.820 -0.099 0.000 1.902 204 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 204 A C 2.509 180.013 177.584 -0.133 0.000 1.181 204 A CA 1.641 53.581 52.037 -0.162 0.000 0.623 204 A CB -0.772 18.052 19.000 -0.292 0.000 0.818 204 A HN 0.191 nan 8.150 nan 0.000 0.443 205 V N 0.324 120.191 119.914 -0.080 0.000 2.343 205 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 205 V C 2.546 178.600 176.094 -0.066 0.000 1.051 205 V CA 2.378 64.640 62.300 -0.064 0.000 1.036 205 V CB -0.613 31.200 31.823 -0.015 0.000 0.654 205 V HN 0.729 nan 8.190 nan 0.000 0.451 206 K N -0.166 120.204 120.400 -0.050 0.000 2.283 206 K HA -0.092 4.228 4.320 -0.001 0.000 0.202 206 K C 1.767 178.332 176.600 -0.059 0.000 1.048 206 K CA 1.470 57.731 56.287 -0.045 0.000 0.948 206 K CB -0.043 32.438 32.500 -0.031 0.000 0.742 206 K HN 0.430 nan 8.250 nan 0.000 0.458 207 S N -0.276 115.378 115.700 -0.077 0.000 2.556 207 S HA 0.158 4.628 4.470 -0.001 0.000 0.216 207 S C 0.545 175.075 174.600 -0.117 0.000 0.970 207 S CA 0.334 58.482 58.200 -0.087 0.000 0.912 207 S CB 0.931 64.079 63.200 -0.087 0.000 0.790 207 S HN 0.607 nan 8.310 nan 0.000 0.504 208 G N 1.839 110.553 108.800 -0.143 0.000 2.305 208 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.287 208 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.287 208 G C -0.014 174.702 174.900 -0.306 0.000 1.036 208 G CA 0.253 45.228 45.100 -0.209 0.000 0.887 208 G HN 0.439 nan 8.290 nan 0.000 0.505 209 V N 0.228 119.975 119.914 -0.279 0.000 2.407 209 V HA 0.399 4.518 4.120 -0.001 0.000 0.278 209 V C 0.952 176.794 176.094 -0.421 0.000 1.037 209 V CA -1.054 61.051 62.300 -0.325 0.000 0.900 209 V CB 1.027 32.720 31.823 -0.216 0.000 0.983 209 V HN 0.452 nan 8.190 nan 0.000 0.459 210 H N 3.468 122.285 119.070 -0.422 0.000 2.836 210 H HA 0.437 4.993 4.556 -0.001 0.000 0.368 210 H C 0.265 175.210 175.328 -0.638 0.000 1.164 210 H CA 0.406 56.002 56.048 -0.753 0.000 1.425 210 H CB 0.517 29.353 29.762 -1.543 0.000 1.414 210 H HN 0.527 nan 8.280 nan 0.000 0.614 211 R N 0.729 121.021 120.500 -0.346 0.000 2.621 211 R HA 0.376 4.716 4.340 -0.001 0.000 0.284 211 R C -0.991 175.460 176.300 0.252 0.000 0.998 211 R CA -0.673 55.402 56.100 -0.042 0.000 0.895 211 R CB 2.366 32.715 30.300 0.082 0.000 1.195 211 R HN 0.569 nan 8.270 nan 0.000 0.450 212 T N 0.822 115.584 114.554 0.347 0.000 2.901 212 T HA 0.716 5.066 4.350 -0.001 0.000 0.293 212 T C -1.483 173.414 174.700 0.327 0.000 1.084 212 T CA -0.562 61.759 62.100 0.368 0.000 1.008 212 T CB 1.651 70.742 68.868 0.371 0.000 1.170 212 T HN 0.197 nan 8.240 nan 0.000 0.509 213 V N 2.845 122.896 119.914 0.228 0.000 2.891 213 V HA 0.356 4.475 4.120 -0.001 0.000 0.304 213 V C -1.276 174.960 176.094 0.236 0.000 1.171 213 V CA -1.017 61.404 62.300 0.202 0.000 0.943 213 V CB 1.909 33.745 31.823 0.022 0.000 1.037 213 V HN 1.021 nan 8.190 nan 0.000 0.427 214 H N 2.874 122.032 119.070 0.147 0.000 2.955 214 H HA 0.700 5.255 4.556 -0.001 0.000 0.290 214 H C 0.305 175.694 175.328 0.102 0.000 1.047 214 H CA 0.969 57.137 56.048 0.200 0.000 1.484 214 H CB 0.913 30.842 29.762 0.279 0.000 1.501 214 H HN 0.986 nan 8.280 nan 0.000 0.521 215 A N 1.761 124.693 122.820 0.187 0.000 2.547 215 A HA 0.563 4.882 4.320 -0.001 0.000 0.297 215 A C 0.833 178.467 177.584 0.083 0.000 1.056 215 A CA -0.312 51.781 52.037 0.094 0.000 0.688 215 A CB 0.913 19.937 19.000 0.039 0.000 1.282 215 A HN 1.007 nan 8.150 nan 0.000 0.400 216 G N 0.753 109.594 108.800 0.068 0.000 2.148 216 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.254 216 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.254 216 G C 0.703 175.706 174.900 0.172 0.000 0.981 216 G CA 1.118 46.298 45.100 0.134 0.000 0.670 216 G HN 1.137 nan 8.290 nan 0.000 0.528 217 E N -0.776 119.453 120.200 0.049 0.000 2.051 217 E HA 0.138 4.487 4.350 -0.001 0.000 0.189 217 E C 1.899 178.585 176.600 0.143 0.000 0.979 217 E CA 1.539 57.911 56.400 -0.047 0.000 0.803 217 E CB 0.042 29.551 29.700 -0.318 0.000 0.761 217 E HN 0.539 nan 8.360 nan 0.000 0.451 218 V N 0.029 119.964 119.914 0.035 0.000 3.398 218 V HA 0.295 4.414 4.120 -0.001 0.000 0.298 218 V C 0.771 176.732 176.094 -0.222 0.000 1.496 218 V CA 0.177 62.468 62.300 -0.014 0.000 1.044 218 V CB 0.953 32.760 31.823 -0.027 0.000 0.880 218 V HN 0.275 nan 8.190 nan 0.000 0.443 219 G N 0.926 109.612 108.800 -0.190 0.000 2.547 219 G HA2 0.438 4.398 3.960 -0.001 0.000 0.291 219 G HA3 0.438 4.398 3.960 -0.001 0.000 0.291 219 G C 0.302 174.976 174.900 -0.377 0.000 1.211 219 G CA 0.426 45.379 45.100 -0.245 0.000 0.950 219 G HN 0.428 nan 8.290 nan 0.000 0.504 220 S N -0.873 114.686 115.700 -0.234 0.000 2.608 220 S HA 0.400 4.870 4.470 -0.001 0.000 0.261 220 S C 1.756 176.331 174.600 -0.043 0.000 1.314 220 S CA 0.260 58.357 58.200 -0.173 0.000 0.992 220 S CB 1.264 64.418 63.200 -0.077 0.000 0.935 220 S HN 1.356 nan 8.310 nan 0.000 0.564 221 A N 1.003 123.856 122.820 0.055 0.000 2.131 221 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 221 A C 1.979 179.596 177.584 0.056 0.000 1.158 221 A CA 1.891 53.986 52.037 0.096 0.000 0.665 221 A CB -1.414 17.656 19.000 0.118 0.000 0.795 221 A HN 0.920 nan 8.150 nan 0.000 0.460 222 N N -0.155 118.557 118.700 0.021 0.000 2.309 222 N HA -0.123 4.617 4.740 -0.001 0.000 0.182 222 N C 1.546 177.050 175.510 -0.009 0.000 1.018 222 N CA 1.433 54.488 53.050 0.008 0.000 0.876 222 N CB -0.350 38.133 38.487 -0.008 0.000 0.972 222 N HN 0.246 nan 8.380 nan 0.000 0.434 223 V N -0.447 119.455 119.914 -0.021 0.000 2.427 223 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 223 V C 1.857 177.942 176.094 -0.016 0.000 1.051 223 V CA 1.678 63.957 62.300 -0.035 0.000 1.048 223 V CB -0.403 31.386 31.823 -0.056 0.000 0.666 223 V HN 0.176 nan 8.190 nan 0.000 0.456 224 V N 0.373 120.298 119.914 0.020 0.000 2.343 224 V HA -0.279 3.841 4.120 -0.001 0.000 0.247 224 V C 2.543 178.647 176.094 0.016 0.000 1.051 224 V CA 2.615 64.933 62.300 0.030 0.000 1.036 224 V CB -0.955 30.920 31.823 0.087 0.000 0.654 224 V HN 0.640 nan 8.190 nan 0.000 0.451 225 K N 0.007 120.423 120.400 0.028 0.000 2.103 225 K HA -0.234 4.086 4.320 -0.001 0.000 0.207 225 K C 2.131 178.730 176.600 -0.001 0.000 1.048 225 K CA 1.803 58.104 56.287 0.022 0.000 0.930 225 K CB -0.104 32.410 32.500 0.025 0.000 0.716 225 K HN 0.566 nan 8.250 nan 0.000 0.444 226 E N -0.367 119.821 120.200 -0.019 0.000 2.106 226 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 226 E C 1.884 178.448 176.600 -0.060 0.000 0.984 226 E CA 0.883 57.260 56.400 -0.039 0.000 0.806 226 E CB -0.044 29.620 29.700 -0.060 0.000 0.750 226 E HN 0.427 nan 8.360 nan 0.000 0.458 227 A N 0.672 123.452 122.820 -0.067 0.000 1.933 227 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 227 A C 2.419 179.976 177.584 -0.046 0.000 1.175 227 A CA 1.126 53.110 52.037 -0.088 0.000 0.628 227 A CB -0.490 18.468 19.000 -0.071 0.000 0.814 227 A HN 0.119 nan 8.150 nan 0.000 0.444 228 V N 0.200 120.102 119.914 -0.020 0.000 2.323 228 V HA -0.172 3.948 4.120 -0.001 0.000 0.244 228 V C 1.991 178.091 176.094 0.010 0.000 1.041 228 V CA 2.259 64.559 62.300 -0.000 0.000 1.025 228 V CB -0.601 31.224 31.823 0.004 0.000 0.656 228 V HN 0.474 nan 8.190 nan 0.000 0.451 229 D N -0.935 119.467 120.400 0.004 0.000 2.240 229 D HA -0.018 4.622 4.640 -0.001 0.000 0.206 229 D C 2.166 178.471 176.300 0.009 0.000 0.963 229 D CA 1.283 55.289 54.000 0.010 0.000 0.863 229 D CB 0.257 41.063 40.800 0.010 0.000 0.973 229 D HN 0.378 nan 8.370 nan 0.000 0.501 230 T N 0.065 114.616 114.554 -0.005 0.000 3.056 230 T HA 0.184 4.534 4.350 -0.001 0.000 0.241 230 T C 1.918 176.618 174.700 -0.000 0.000 1.006 230 T CA 0.003 62.102 62.100 -0.002 0.000 1.115 230 T CB 0.440 69.299 68.868 -0.016 0.000 0.939 230 T HN 0.008 nan 8.240 nan 0.000 0.462 231 L N 0.753 121.947 121.223 -0.049 0.000 2.554 231 L HA 0.198 4.538 4.340 -0.001 0.000 0.226 231 L C 0.384 177.312 176.870 0.096 0.000 1.137 231 L CA 0.175 54.980 54.840 -0.060 0.000 0.863 231 L CB -0.341 41.445 42.059 -0.455 0.000 0.985 231 L HN 0.089 nan 8.230 nan 0.000 0.451 232 K N -0.058 120.378 120.400 0.060 0.000 3.071 232 K HA -0.158 4.162 4.320 -0.001 0.000 0.265 232 K C 0.441 177.113 176.600 0.120 0.000 1.060 232 K CA 0.604 56.940 56.287 0.083 0.000 0.767 232 K CB -2.680 29.873 32.500 0.089 0.000 1.241 232 K HN 0.271 nan 8.250 nan 0.000 0.486 233 T N 0.405 115.022 114.554 0.105 0.000 2.903 233 T HA 0.060 4.410 4.350 -0.001 0.000 0.314 233 T C 1.517 176.298 174.700 0.136 0.000 1.078 233 T CA 0.284 62.475 62.100 0.152 0.000 1.114 233 T CB 0.473 69.412 68.868 0.119 0.000 0.987 233 T HN 0.279 nan 8.240 nan 0.000 0.548 234 E N 1.913 122.231 120.200 0.196 0.000 2.364 234 E HA 0.157 4.507 4.350 -0.001 0.000 0.196 234 E C 0.642 177.368 176.600 0.209 0.000 0.990 234 E CA 0.338 56.872 56.400 0.223 0.000 0.886 234 E CB 0.583 30.487 29.700 0.339 0.000 0.866 234 E HN 0.403 nan 8.360 nan 0.000 0.493 235 R N 0.189 120.820 120.500 0.218 0.000 2.799 235 R HA 0.530 4.870 4.340 -0.001 0.000 0.270 235 R C -1.159 175.159 176.300 0.030 0.000 1.010 235 R CA -0.747 55.422 56.100 0.115 0.000 0.916 235 R CB 1.679 32.068 30.300 0.149 0.000 1.228 235 R HN -0.100 nan 8.270 nan 0.000 0.469 236 L N 0.304 121.466 121.223 -0.103 0.000 2.329 236 L HA 0.498 4.838 4.340 -0.001 0.000 0.279 236 L C 0.594 177.454 176.870 -0.017 0.000 1.014 236 L CA -0.779 54.003 54.840 -0.097 0.000 0.814 236 L CB 2.059 43.942 42.059 -0.293 0.000 1.257 236 L HN 0.750 nan 8.230 nan 0.000 0.424 237 G N 1.003 109.815 108.800 0.020 0.000 2.351 237 G HA2 0.371 4.331 3.960 -0.001 0.000 0.287 237 G HA3 0.371 4.331 3.960 -0.001 0.000 0.287 237 G C 0.292 175.133 174.900 -0.098 0.000 1.159 237 G CA 0.179 45.237 45.100 -0.071 0.000 0.929 237 G HN 0.948 nan 8.290 nan 0.000 0.435 238 H N 2.287 121.235 119.070 -0.203 0.000 2.876 238 H HA -0.345 4.211 4.556 -0.000 0.000 0.089 238 H C 2.150 177.238 175.328 -0.400 0.000 0.604 238 H CA 2.101 57.799 56.048 -0.584 0.000 1.675 238 H CB -1.423 27.778 29.762 -0.935 0.000 1.917 238 H HN 1.929 nan 8.280 nan 0.000 0.923 239 G N 0.333 109.061 108.800 -0.120 0.000 2.159 239 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.256 239 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.256 239 G C 0.549 175.676 174.900 0.378 0.000 0.977 239 G CA 1.144 46.387 45.100 0.238 0.000 0.652 239 G HN 0.518 nan 8.290 nan 0.000 0.531 240 Y N -0.077 120.449 120.300 0.376 0.000 2.224 240 Y HA 0.035 4.585 4.550 -0.001 0.000 0.289 240 Y C 2.440 178.340 175.900 0.000 0.000 1.146 240 Y CA 1.467 59.641 58.100 0.123 0.000 1.182 240 Y CB -0.752 37.632 38.460 -0.126 0.000 0.983 240 Y HN 0.517 nan 8.280 nan 0.000 0.524 241 H N -0.961 118.219 119.070 0.184 0.000 2.563 241 H HA -0.009 4.547 4.556 -0.001 0.000 0.272 241 H C 1.767 177.165 175.328 0.115 0.000 1.005 241 H CA 0.977 57.090 56.048 0.107 0.000 1.171 241 H CB -0.275 29.532 29.762 0.076 0.000 1.351 241 H HN 0.192 nan 8.280 nan 0.000 0.602 242 T N 0.269 114.996 114.554 0.288 0.000 2.869 242 T HA -0.142 4.208 4.350 -0.001 0.000 0.270 242 T C 1.920 176.710 174.700 0.151 0.000 1.082 242 T CA 0.829 63.102 62.100 0.288 0.000 1.123 242 T CB -0.096 69.081 68.868 0.514 0.000 0.856 242 T HN 0.400 nan 8.240 nan 0.000 0.499 243 L N 0.565 121.775 121.223 -0.022 0.000 2.376 243 L HA 0.001 4.341 4.340 -0.001 0.000 0.219 243 L C 2.258 179.095 176.870 -0.055 0.000 1.133 243 L CA 1.013 55.723 54.840 -0.217 0.000 0.816 243 L CB -0.421 41.441 42.059 -0.327 0.000 0.933 243 L HN 0.341 nan 8.230 nan 0.000 0.449 244 E N -0.740 119.476 120.200 0.027 0.000 2.511 244 E HA -0.083 4.267 4.350 -0.001 0.000 0.196 244 E C 0.073 176.718 176.600 0.075 0.000 1.066 244 E CA 0.114 56.546 56.400 0.054 0.000 0.871 244 E CB 0.135 29.893 29.700 0.097 0.000 0.863 244 E HN 0.185 nan 8.360 nan 0.000 0.520 245 D N 0.084 120.545 120.400 0.102 0.000 2.408 245 D HA 0.087 4.727 4.640 -0.001 0.000 0.261 245 D C 0.495 176.887 176.300 0.153 0.000 1.190 245 D CA -0.221 53.847 54.000 0.114 0.000 0.910 245 D CB 1.084 41.953 40.800 0.115 0.000 1.097 245 D HN -0.235 nan 8.370 nan 0.000 0.522 246 T N 1.214 115.845 114.554 0.129 0.000 2.684 246 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 246 T C 1.727 176.523 174.700 0.160 0.000 1.036 246 T CA 1.658 63.856 62.100 0.164 0.000 1.148 246 T CB -0.041 68.896 68.868 0.115 0.000 0.863 246 T HN 0.373 nan 8.240 nan 0.000 0.436 247 T N 2.215 116.835 114.554 0.110 0.000 2.746 247 T HA -0.014 4.335 4.350 -0.001 0.000 0.267 247 T C 1.902 176.660 174.700 0.097 0.000 1.039 247 T CA 0.814 62.965 62.100 0.086 0.000 1.142 247 T CB -0.462 68.442 68.868 0.061 0.000 0.866 247 T HN 0.131 nan 8.240 nan 0.000 0.444 248 L N 0.381 121.676 121.223 0.120 0.000 2.046 248 L HA -0.032 4.308 4.340 -0.001 0.000 0.208 248 L C 2.073 179.062 176.870 0.198 0.000 1.077 248 L CA 1.635 56.556 54.840 0.136 0.000 0.747 248 L CB -0.827 41.321 42.059 0.148 0.000 0.896 248 L HN 0.357 nan 8.230 nan 0.000 0.432 249 Y N 0.378 120.746 120.300 0.114 0.000 2.097 249 Y HA -0.330 4.219 4.550 -0.000 0.000 0.282 249 Y C 2.351 178.314 175.900 0.105 0.000 1.152 249 Y CA 2.293 60.473 58.100 0.133 0.000 1.136 249 Y CB -0.289 38.245 38.460 0.124 0.000 0.975 249 Y HN 0.396 nan 8.280 nan 0.000 0.498 250 N N -0.229 118.454 118.700 -0.028 0.000 2.104 250 N HA -0.238 4.502 4.740 -0.001 0.000 0.190 250 N C 2.000 177.461 175.510 -0.083 0.000 1.024 250 N CA 1.128 54.103 53.050 -0.125 0.000 0.853 250 N CB -0.279 38.194 38.487 -0.024 0.000 1.008 250 N HN 0.322 nan 8.380 nan 0.000 0.424 251 R N 1.366 121.860 120.500 -0.010 0.000 2.096 251 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 251 R C 1.946 178.248 176.300 0.004 0.000 1.127 251 R CA 0.952 57.054 56.100 0.003 0.000 0.968 251 R CB -0.187 30.131 30.300 0.030 0.000 0.861 251 R HN 0.233 nan 8.270 nan 0.000 0.440 252 L N 0.817 122.057 121.223 0.028 0.000 2.056 252 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 252 L C 2.737 179.629 176.870 0.036 0.000 1.078 252 L CA 1.416 56.295 54.840 0.065 0.000 0.749 252 L CB -0.498 41.670 42.059 0.181 0.000 0.901 252 L HN 0.244 nan 8.230 nan 0.000 0.433 253 R N 0.306 120.747 120.500 -0.098 0.000 2.091 253 R HA -0.207 4.133 4.340 -0.001 0.000 0.238 253 R C 1.988 178.255 176.300 -0.056 0.000 1.136 253 R CA 1.552 57.580 56.100 -0.120 0.000 0.959 253 R CB -0.921 29.210 30.300 -0.281 0.000 0.856 253 R HN 0.327 nan 8.270 nan 0.000 0.437 254 Q N 0.524 120.291 119.800 -0.056 0.000 2.112 254 Q HA -0.167 4.173 4.340 -0.001 0.000 0.206 254 Q C 0.998 177.000 176.000 0.002 0.000 0.987 254 Q CA 2.080 57.870 55.803 -0.022 0.000 0.858 254 Q CB -0.020 28.708 28.738 -0.018 0.000 0.905 254 Q HN 0.772 nan 8.270 nan 0.000 0.420 255 E N -0.379 119.828 120.200 0.011 0.000 2.419 255 E HA 0.012 4.361 4.350 -0.001 0.000 0.190 255 E C -0.188 176.434 176.600 0.037 0.000 1.040 255 E CA 0.018 56.433 56.400 0.024 0.000 0.900 255 E CB -0.238 29.479 29.700 0.028 0.000 1.054 255 E HN 0.199 nan 8.360 nan 0.000 0.462 256 N N 0.663 119.386 118.700 0.038 0.000 2.754 256 N HA -0.214 4.526 4.740 -0.001 0.000 0.248 256 N C -0.422 175.137 175.510 0.082 0.000 1.093 256 N CA 0.615 53.701 53.050 0.060 0.000 0.699 256 N CB -1.387 37.135 38.487 0.057 0.000 1.016 256 N HN 0.373 nan 8.380 nan 0.000 0.552 257 M N 1.030 120.670 119.600 0.067 0.000 2.250 257 M HA 0.152 4.632 4.480 -0.001 0.000 0.337 257 M C 0.114 176.435 176.300 0.036 0.000 1.161 257 M CA 0.120 55.421 55.300 0.001 0.000 1.088 257 M CB 0.314 32.837 32.600 -0.128 0.000 1.639 257 M HN 0.280 nan 8.290 nan 0.000 0.447 258 H N 3.916 122.950 119.070 -0.059 0.000 2.517 258 H HA 0.450 5.005 4.556 -0.000 0.000 0.317 258 H C -1.657 173.623 175.328 -0.081 0.000 1.080 258 H CA -0.191 55.870 56.048 0.021 0.000 1.301 258 H CB 0.312 30.061 29.762 -0.021 0.000 1.425 258 H HN 0.594 nan 8.280 nan 0.000 0.471 259 F N 3.165 122.797 119.950 -0.530 0.000 2.385 259 F HA 0.204 4.730 4.527 -0.001 0.000 0.360 259 F C 0.424 176.091 175.800 -0.222 0.000 1.122 259 F CA -0.672 57.153 58.000 -0.292 0.000 1.090 259 F CB 1.100 39.918 39.000 -0.302 0.000 1.150 259 F HN 0.566 nan 8.300 nan 0.000 0.472 260 E N 4.409 124.680 120.200 0.120 0.000 1.865 260 E HA 0.200 4.549 4.350 -0.001 0.000 0.269 260 E C -0.484 176.152 176.600 0.060 0.000 1.177 260 E CA -0.384 56.109 56.400 0.156 0.000 0.932 260 E CB 0.314 30.105 29.700 0.151 0.000 1.066 260 E HN 0.259 nan 8.360 nan 0.000 0.405 261 I N 1.798 122.513 120.570 0.242 0.000 2.440 261 I HA 0.097 4.267 4.170 -0.001 0.000 0.294 261 I C 0.112 176.355 176.117 0.209 0.000 0.995 261 I CA -1.630 59.867 61.300 0.329 0.000 1.306 261 I CB 1.160 39.410 38.000 0.416 0.000 1.407 261 I HN 0.526 nan 8.210 nan 0.000 0.501 262 C N 7.693 127.168 119.300 0.291 0.000 3.328 262 C HA 0.262 4.721 4.460 -0.001 0.000 0.230 262 C C -1.357 173.748 174.990 0.192 0.000 1.232 262 C CA -0.631 58.520 59.018 0.222 0.000 1.431 262 C CB 0.651 28.538 27.740 0.245 0.000 1.818 262 C HN 0.602 nan 8.230 nan 0.000 0.484 263 P HA -0.112 nan 4.420 nan 0.000 0.217 263 P C 1.754 179.055 177.300 0.002 0.000 1.151 263 P CA 1.161 64.154 63.100 -0.178 0.000 0.828 263 P CB 0.122 31.563 31.700 -0.430 0.000 0.788 264 W N 0.409 121.649 121.300 -0.101 0.000 2.408 264 W HA -0.147 4.513 4.660 -0.001 0.000 0.311 264 W C 2.300 178.703 176.519 -0.193 0.000 1.190 264 W CA 1.447 58.762 57.345 -0.051 0.000 1.321 264 W CB -0.738 28.721 29.460 -0.001 0.000 1.143 264 W HN -0.047 nan 8.180 nan 0.000 0.501 265 S N 0.905 116.362 115.700 -0.405 0.000 2.390 265 S HA -0.364 4.106 4.470 -0.001 0.000 0.234 265 S C 2.170 176.489 174.600 -0.469 0.000 1.063 265 S CA 3.376 61.070 58.200 -0.842 0.000 1.108 265 S CB -1.054 62.096 63.200 -0.083 0.000 0.975 265 S HN 0.491 nan 8.310 nan 0.000 0.442 266 S N -0.454 115.184 115.700 -0.104 0.000 2.382 266 S HA -0.195 4.275 4.470 -0.001 0.000 0.228 266 S C 1.795 176.410 174.600 0.025 0.000 1.027 266 S CA 1.444 59.638 58.200 -0.009 0.000 0.991 266 S CB -0.975 62.229 63.200 0.007 0.000 0.823 266 S HN 0.807 nan 8.310 nan 0.000 0.469 267 Y N 2.232 122.551 120.300 0.031 0.000 2.153 267 Y HA 0.116 4.666 4.550 -0.001 0.000 0.289 267 Y C 2.065 177.805 175.900 -0.266 0.000 1.127 267 Y CA 1.449 59.595 58.100 0.078 0.000 1.131 267 Y CB -0.532 38.125 38.460 0.328 0.000 0.995 267 Y HN 0.204 nan 8.280 nan 0.000 0.505 268 L N 0.276 120.844 121.223 -1.092 0.000 2.129 268 L HA -0.234 4.106 4.340 -0.001 0.000 0.212 268 L C 2.305 178.738 176.870 -0.729 0.000 1.087 268 L CA 2.075 56.252 54.840 -1.104 0.000 0.757 268 L CB -1.096 40.391 42.059 -0.953 0.000 0.896 268 L HN 0.472 nan 8.230 nan 0.000 0.434 269 T N -4.189 110.017 114.554 -0.579 0.000 3.129 269 T HA 0.278 4.628 4.350 -0.001 0.000 0.251 269 T C 1.461 175.967 174.700 -0.324 0.000 1.117 269 T CA 0.515 62.373 62.100 -0.404 0.000 1.034 269 T CB 0.675 69.339 68.868 -0.340 0.000 0.968 269 T HN 0.520 nan 8.240 nan 0.000 0.526 270 G N 0.898 109.488 108.800 -0.351 0.000 2.279 270 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.223 270 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.223 270 G C 1.327 176.144 174.900 -0.139 0.000 1.015 270 G CA 0.211 45.172 45.100 -0.232 0.000 0.621 270 G HN 0.979 nan 8.290 nan 0.000 0.506 271 A N -0.864 121.893 122.820 -0.105 0.000 1.978 271 A HA 0.250 4.569 4.320 -0.001 0.000 0.220 271 A C 1.065 178.675 177.584 0.043 0.000 1.170 271 A CA 1.918 53.958 52.037 0.004 0.000 0.636 271 A CB -0.252 18.788 19.000 0.067 0.000 0.810 271 A HN 1.310 nan 8.150 nan 0.000 0.448 272 W N 0.921 122.097 121.300 -0.207 0.000 2.532 272 W HA 0.606 5.266 4.660 -0.000 0.000 0.321 272 W C -1.256 175.193 176.519 -0.117 0.000 1.037 272 W CA -1.484 55.722 57.345 -0.232 0.000 1.220 272 W CB 0.922 30.212 29.460 -0.283 0.000 1.361 272 W HN -0.117 nan 8.180 nan 0.000 0.468 273 K N 7.914 127.891 120.400 -0.705 0.000 2.285 273 K HA 0.261 4.581 4.320 -0.001 0.000 0.286 273 K C -1.775 174.044 176.600 -1.301 0.000 1.072 273 K CA -1.551 54.292 56.287 -0.741 0.000 0.913 273 K CB 0.840 33.077 32.500 -0.437 0.000 1.067 273 K HN 0.155 nan 8.250 nan 0.000 0.479 274 P HA -0.284 nan 4.420 nan 0.000 0.218 274 P C 0.205 177.132 177.300 -0.621 0.000 1.154 274 P CA 1.458 63.926 63.100 -1.053 0.000 0.872 274 P CB 0.068 31.491 31.700 -0.462 0.000 0.790 275 D N -1.945 118.211 120.400 -0.406 0.000 2.348 275 D HA -0.027 4.613 4.640 -0.001 0.000 0.248 275 D C -0.120 176.080 176.300 -0.166 0.000 1.142 275 D CA 0.652 54.518 54.000 -0.222 0.000 0.904 275 D CB -0.454 40.247 40.800 -0.165 0.000 0.901 275 D HN 0.117 nan 8.370 nan 0.000 0.523 276 T N 0.492 114.935 114.554 -0.185 0.000 2.900 276 T HA 0.238 4.588 4.350 -0.001 0.000 0.303 276 T C -0.997 173.822 174.700 0.198 0.000 1.142 276 T CA -0.958 61.123 62.100 -0.031 0.000 1.007 276 T CB 2.281 71.093 68.868 -0.093 0.000 1.156 276 T HN 0.179 nan 8.240 nan 0.000 0.490 277 E N 1.400 121.686 120.200 0.143 0.000 2.765 277 E HA -0.075 4.275 4.350 -0.001 0.000 0.256 277 E C -0.275 176.461 176.600 0.228 0.000 0.935 277 E CA 0.319 56.814 56.400 0.159 0.000 0.954 277 E CB -0.029 29.684 29.700 0.020 0.000 0.908 277 E HN 0.657 nan 8.360 nan 0.000 0.500 278 H N 2.726 121.789 119.070 -0.011 0.000 2.928 278 H HA 0.207 4.763 4.556 -0.001 0.000 0.338 278 H C 1.238 176.228 175.328 -0.564 0.000 1.047 278 H CA 0.548 56.212 56.048 -0.640 0.000 1.435 278 H CB 1.136 30.114 29.762 -1.307 0.000 1.428 278 H HN 0.732 nan 8.280 nan 0.000 0.590 279 A N 4.348 126.621 122.820 -0.911 0.000 2.084 279 A HA -0.180 4.140 4.320 -0.001 0.000 0.221 279 A C 2.338 179.331 177.584 -0.985 0.000 1.161 279 A CA 1.605 53.121 52.037 -0.868 0.000 0.653 279 A CB -0.712 17.697 19.000 -0.985 0.000 0.802 279 A HN 0.604 nan 8.150 nan 0.000 0.457 280 V N 0.203 119.824 119.914 -0.489 0.000 2.626 280 V HA -0.179 3.941 4.120 -0.001 0.000 0.252 280 V C 2.240 178.199 176.094 -0.225 0.000 1.067 280 V CA 1.930 63.957 62.300 -0.456 0.000 1.081 280 V CB -0.463 31.147 31.823 -0.355 0.000 0.686 280 V HN 0.704 nan 8.190 nan 0.000 0.468 281 I N 0.408 120.883 120.570 -0.158 0.000 2.394 281 I HA -0.119 4.051 4.170 -0.001 0.000 0.251 281 I C 2.301 178.363 176.117 -0.092 0.000 1.136 281 I CA 2.041 63.314 61.300 -0.044 0.000 1.425 281 I CB -0.781 37.211 38.000 -0.014 0.000 1.079 281 I HN 0.236 nan 8.210 nan 0.000 0.425 282 R N 0.580 120.964 120.500 -0.193 0.000 2.073 282 R HA -0.131 4.209 4.340 -0.001 0.000 0.234 282 R C 1.937 178.262 176.300 0.041 0.000 1.134 282 R CA 1.933 57.963 56.100 -0.117 0.000 0.952 282 R CB -1.060 29.097 30.300 -0.238 0.000 0.850 282 R HN 0.371 nan 8.270 nan 0.000 0.433 283 F N 1.543 121.375 119.950 -0.196 0.000 2.091 283 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 283 F C 2.213 177.954 175.800 -0.099 0.000 1.103 283 F CA 1.599 59.476 58.000 -0.206 0.000 1.228 283 F CB -1.170 37.517 39.000 -0.522 0.000 0.984 283 F HN 0.183 nan 8.300 nan 0.000 0.477 284 K N 0.354 120.776 120.400 0.037 0.000 2.032 284 K HA -0.215 4.104 4.320 -0.001 0.000 0.209 284 K C 1.789 178.387 176.600 -0.004 0.000 1.048 284 K CA 1.792 58.093 56.287 0.024 0.000 0.927 284 K CB -0.200 32.146 32.500 -0.255 0.000 0.712 284 K HN 0.139 nan 8.250 nan 0.000 0.441 285 N N 1.356 120.047 118.700 -0.015 0.000 2.309 285 N HA -0.112 4.628 4.740 -0.001 0.000 0.182 285 N C 0.668 176.196 175.510 0.030 0.000 1.018 285 N CA 1.091 54.136 53.050 -0.010 0.000 0.876 285 N CB -0.159 38.324 38.487 -0.006 0.000 0.972 285 N HN 0.261 nan 8.380 nan 0.000 0.434 286 D N 0.763 121.213 120.400 0.083 0.000 2.328 286 D HA 0.008 4.648 4.640 -0.001 0.000 0.226 286 D C 0.073 176.412 176.300 0.064 0.000 1.066 286 D CA 0.164 54.219 54.000 0.091 0.000 0.861 286 D CB 0.117 41.025 40.800 0.181 0.000 0.912 286 D HN -0.057 nan 8.370 nan 0.000 0.521 287 Q N -0.636 119.206 119.800 0.071 0.000 2.457 287 Q HA -0.155 4.184 4.340 -0.001 0.000 0.283 287 Q C -0.097 175.956 176.000 0.089 0.000 1.234 287 Q CA 0.260 56.105 55.803 0.070 0.000 0.877 287 Q CB -2.433 26.322 28.738 0.028 0.000 1.250 287 Q HN 0.184 nan 8.270 nan 0.000 0.481 288 V N 0.998 120.996 119.914 0.139 0.000 3.319 288 V HA 0.123 4.243 4.120 -0.001 0.000 0.303 288 V C 1.090 177.272 176.094 0.147 0.000 1.094 288 V CA -0.230 62.112 62.300 0.070 0.000 1.106 288 V CB 1.067 32.820 31.823 -0.117 0.000 1.099 288 V HN 0.427 nan 8.190 nan 0.000 0.476 289 N N 2.488 121.252 118.700 0.108 0.000 2.439 289 N HA 0.278 5.018 4.740 -0.001 0.000 0.243 289 N C -1.051 174.467 175.510 0.014 0.000 1.088 289 N CA -0.131 52.978 53.050 0.098 0.000 0.940 289 N CB -0.143 38.433 38.487 0.147 0.000 1.180 289 N HN 0.571 nan 8.380 nan 0.000 0.505 290 Y N 0.160 120.390 120.300 -0.118 0.000 2.625 290 Y HA 0.715 5.265 4.550 -0.000 0.000 0.338 290 Y C -0.761 175.179 175.900 0.067 0.000 1.123 290 Y CA -1.336 56.615 58.100 -0.248 0.000 1.046 290 Y CB 0.496 38.944 38.460 -0.021 0.000 1.299 290 Y HN 0.276 nan 8.280 nan 0.000 0.464 291 S N 1.551 117.372 115.700 0.201 0.000 2.671 291 S HA 0.826 5.295 4.470 -0.001 0.000 0.299 291 S C -1.851 172.944 174.600 0.324 0.000 1.116 291 S CA -0.762 57.605 58.200 0.278 0.000 0.912 291 S CB 2.145 65.590 63.200 0.408 0.000 1.130 291 S HN 0.690 nan 8.310 nan 0.000 0.501 292 L N 1.934 123.276 121.223 0.199 0.000 2.346 292 L HA 0.680 5.020 4.340 -0.001 0.000 0.274 292 L C -0.569 176.389 176.870 0.146 0.000 1.007 292 L CA -0.245 54.654 54.840 0.100 0.000 0.818 292 L CB 1.426 43.333 42.059 -0.254 0.000 1.284 292 L HN 0.884 nan 8.230 nan 0.000 0.424 293 N N 1.190 119.985 118.700 0.159 0.000 2.710 293 N HA 0.250 4.990 4.740 -0.001 0.000 0.257 293 N C -0.332 175.333 175.510 0.257 0.000 1.327 293 N CA -0.469 52.714 53.050 0.221 0.000 0.861 293 N CB 1.949 40.581 38.487 0.242 0.000 1.532 293 N HN 0.357 nan 8.380 nan 0.000 0.499 294 T N -0.237 114.508 114.554 0.318 0.000 3.051 294 T HA -0.022 4.328 4.350 -0.001 0.000 0.255 294 T C 0.597 175.624 174.700 0.546 0.000 1.085 294 T CA 0.723 63.059 62.100 0.393 0.000 1.109 294 T CB -0.081 68.991 68.868 0.340 0.000 0.921 294 T HN 0.692 nan 8.240 nan 0.000 0.488 295 D N 1.220 121.963 120.400 0.573 0.000 4.435 295 D HA -0.170 4.470 4.640 -0.001 0.000 0.221 295 D C -0.649 176.063 176.300 0.688 0.000 1.021 295 D CA 2.157 56.621 54.000 0.773 0.000 2.165 295 D CB -1.030 40.255 40.800 0.809 0.000 1.159 295 D HN 0.496 nan 8.370 nan 0.000 0.408 296 D N 0.019 120.734 120.400 0.525 0.000 2.429 296 D HA 0.255 4.894 4.640 -0.001 0.000 0.255 296 D C -1.907 174.416 176.300 0.039 0.000 1.257 296 D CA -0.769 53.302 54.000 0.118 0.000 0.890 296 D CB 2.066 42.668 40.800 -0.330 0.000 1.267 296 D HN 0.100 nan 8.370 nan 0.000 0.521 297 P HA -0.201 nan 4.420 nan 0.000 0.215 297 P C 1.720 179.077 177.300 0.094 0.000 1.153 297 P CA 0.405 63.629 63.100 0.207 0.000 0.853 297 P CB 0.617 32.432 31.700 0.192 0.000 0.788 298 L N 0.203 121.416 121.223 -0.018 0.000 1.963 298 L HA -0.204 4.136 4.340 -0.001 0.000 0.220 298 L C 2.648 179.424 176.870 -0.156 0.000 1.076 298 L CA 2.107 56.864 54.840 -0.137 0.000 0.772 298 L CB -1.379 40.515 42.059 -0.275 0.000 0.892 298 L HN -0.191 nan 8.230 nan 0.000 0.435 299 I N -1.265 119.132 120.570 -0.288 0.000 2.264 299 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 299 I C 1.611 177.765 176.117 0.062 0.000 1.111 299 I CA 1.169 62.303 61.300 -0.276 0.000 1.382 299 I CB -0.408 37.234 38.000 -0.597 0.000 1.060 299 I HN 0.215 nan 8.210 nan 0.000 0.418 300 F N 1.039 121.130 119.950 0.235 0.000 2.765 300 F HA 0.166 4.692 4.527 -0.001 0.000 0.302 300 F C 0.885 176.963 175.800 0.463 0.000 1.111 300 F CA -0.792 57.415 58.000 0.346 0.000 1.359 300 F CB -1.095 38.142 39.000 0.396 0.000 1.097 300 F HN -0.086 nan 8.300 nan 0.000 0.577 301 K N 1.187 121.821 120.400 0.391 0.000 3.311 301 K HA -0.201 4.118 4.320 -0.001 0.000 0.270 301 K C 0.131 176.859 176.600 0.213 0.000 0.927 301 K CA 0.670 57.102 56.287 0.242 0.000 0.706 301 K CB -1.747 30.881 32.500 0.215 0.000 1.418 301 K HN 0.436 nan 8.250 nan 0.000 0.459 302 S N -1.543 114.300 115.700 0.239 0.000 2.715 302 S HA 0.782 5.252 4.470 -0.001 0.000 0.307 302 S C 0.051 174.709 174.600 0.097 0.000 1.119 302 S CA -0.281 58.005 58.200 0.143 0.000 0.937 302 S CB 2.469 65.858 63.200 0.316 0.000 1.150 302 S HN 0.309 nan 8.310 nan 0.000 0.521 303 T N -2.076 112.503 114.554 0.043 0.000 2.838 303 T HA 0.530 4.880 4.350 -0.001 0.000 0.292 303 T C 0.693 175.431 174.700 0.063 0.000 1.113 303 T CA -0.747 61.376 62.100 0.039 0.000 1.008 303 T CB 0.689 69.543 68.868 -0.022 0.000 1.259 303 T HN 0.492 nan 8.240 nan 0.000 0.520 304 L N 0.924 122.187 121.223 0.067 0.000 2.137 304 L HA -0.075 4.265 4.340 -0.001 0.000 0.213 304 L C 1.990 178.945 176.870 0.142 0.000 1.085 304 L CA 2.440 57.353 54.840 0.121 0.000 0.760 304 L CB -0.881 41.245 42.059 0.113 0.000 0.893 304 L HN 0.949 nan 8.230 nan 0.000 0.434 305 D N -2.194 118.213 120.400 0.012 0.000 2.269 305 D HA -0.147 4.492 4.640 -0.001 0.000 0.208 305 D C 1.886 178.184 176.300 -0.004 0.000 0.963 305 D CA 1.263 55.252 54.000 -0.018 0.000 0.864 305 D CB 0.133 40.882 40.800 -0.085 0.000 0.936 305 D HN 0.396 nan 8.370 nan 0.000 0.505 306 T N -0.038 114.485 114.554 -0.051 0.000 2.720 306 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 306 T C 1.352 175.978 174.700 -0.122 0.000 1.037 306 T CA 1.442 63.437 62.100 -0.175 0.000 1.144 306 T CB -0.296 68.367 68.868 -0.341 0.000 0.864 306 T HN 0.286 nan 8.240 nan 0.000 0.444 307 D N 0.086 120.495 120.400 0.016 0.000 2.117 307 D HA -0.074 4.566 4.640 -0.001 0.000 0.197 307 D C 1.860 178.114 176.300 -0.076 0.000 0.987 307 D CA 1.170 55.173 54.000 0.005 0.000 0.829 307 D CB -0.170 40.665 40.800 0.058 0.000 0.961 307 D HN 0.431 nan 8.370 nan 0.000 0.460 308 Y N 0.914 121.137 120.300 -0.129 0.000 2.373 308 Y HA -0.091 4.458 4.550 -0.001 0.000 0.293 308 Y C 2.531 178.382 175.900 -0.081 0.000 1.129 308 Y CA 0.630 58.617 58.100 -0.187 0.000 1.226 308 Y CB -0.015 38.224 38.460 -0.370 0.000 1.000 308 Y HN -0.153 nan 8.280 nan 0.000 0.549 309 Q N 0.011 119.848 119.800 0.063 0.000 2.167 309 Q HA -0.188 4.152 4.340 -0.001 0.000 0.202 309 Q C 2.441 178.424 176.000 -0.028 0.000 0.970 309 Q CA 1.484 57.297 55.803 0.016 0.000 0.855 309 Q CB -0.494 28.215 28.738 -0.047 0.000 0.911 309 Q HN 0.609 nan 8.270 nan 0.000 0.438 310 M N -0.337 119.210 119.600 -0.087 0.000 2.086 310 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 310 M C 1.843 178.036 176.300 -0.178 0.000 1.067 310 M CA 2.360 57.589 55.300 -0.118 0.000 1.116 310 M CB -0.326 32.219 32.600 -0.092 0.000 1.348 310 M HN 0.302 nan 8.290 nan 0.000 0.407 311 T N -1.820 112.575 114.554 -0.265 0.000 2.896 311 T HA -0.081 4.269 4.350 -0.001 0.000 0.263 311 T C 1.860 176.438 174.700 -0.203 0.000 1.050 311 T CA 1.320 63.119 62.100 -0.500 0.000 1.140 311 T CB -0.410 67.726 68.868 -1.220 0.000 0.877 311 T HN 0.495 nan 8.240 nan 0.000 0.457 312 K N 0.916 121.379 120.400 0.106 0.000 2.020 312 K HA -0.186 4.134 4.320 -0.001 0.000 0.212 312 K C 2.261 178.914 176.600 0.088 0.000 1.050 312 K CA 1.460 57.871 56.287 0.207 0.000 0.929 312 K CB -0.033 32.680 32.500 0.354 0.000 0.714 312 K HN 0.115 nan 8.250 nan 0.000 0.443 313 K N 0.996 121.424 120.400 0.047 0.000 1.973 313 K HA -0.095 4.225 4.320 -0.001 0.000 0.210 313 K C 1.313 177.915 176.600 0.004 0.000 1.045 313 K CA 1.720 58.020 56.287 0.021 0.000 0.937 313 K CB -0.444 32.056 32.500 0.000 0.000 0.721 313 K HN 0.155 nan 8.250 nan 0.000 0.438 314 D N -1.117 119.267 120.400 -0.026 0.000 2.370 314 D HA 0.207 4.847 4.640 -0.001 0.000 0.230 314 D C 0.157 176.440 176.300 -0.029 0.000 1.143 314 D CA 0.253 54.240 54.000 -0.022 0.000 0.834 314 D CB 0.272 41.059 40.800 -0.020 0.000 0.944 314 D HN 0.110 nan 8.370 nan 0.000 0.504 315 M N -2.861 116.728 119.600 -0.019 0.000 2.749 315 M HA 0.154 4.634 4.480 -0.001 0.000 0.479 315 M C 1.050 177.421 176.300 0.119 0.000 1.231 315 M CA 0.165 55.473 55.300 0.012 0.000 0.974 315 M CB 1.392 33.939 32.600 -0.088 0.000 2.119 315 M HN 0.006 nan 8.290 nan 0.000 0.717 316 G N 1.287 110.143 108.800 0.093 0.000 2.179 316 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 316 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 316 G C -0.147 174.808 174.900 0.091 0.000 0.977 316 G CA -0.210 44.939 45.100 0.081 0.000 0.641 316 G HN 0.343 nan 8.290 nan 0.000 0.533 317 F N 2.768 122.610 119.950 -0.180 0.000 2.578 317 F HA 0.434 4.961 4.527 -0.001 0.000 0.376 317 F C 1.659 177.160 175.800 -0.498 0.000 1.085 317 F CA 0.701 58.477 58.000 -0.374 0.000 1.260 317 F CB 0.699 39.404 39.000 -0.491 0.000 1.095 317 F HN 0.273 nan 8.300 nan 0.000 0.573 318 T N -0.336 113.949 114.554 -0.449 0.000 2.923 318 T HA 0.257 4.606 4.350 -0.001 0.000 0.281 318 T C 1.098 175.564 174.700 -0.389 0.000 0.995 318 T CA -0.671 61.238 62.100 -0.318 0.000 0.985 318 T CB 1.271 70.011 68.868 -0.213 0.000 1.114 318 T HN 0.690 nan 8.240 nan 0.000 0.548 319 E N 0.094 120.270 120.200 -0.040 0.000 2.118 319 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 319 E C 1.758 178.345 176.600 -0.023 0.000 0.992 319 E CA 1.360 57.858 56.400 0.163 0.000 0.804 319 E CB -0.096 29.764 29.700 0.267 0.000 0.741 319 E HN 0.753 nan 8.360 nan 0.000 0.458 320 E N 0.433 120.584 120.200 -0.082 0.000 2.085 320 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 320 E C 1.825 178.309 176.600 -0.193 0.000 0.994 320 E CA 1.517 57.853 56.400 -0.107 0.000 0.801 320 E CB -0.070 29.575 29.700 -0.092 0.000 0.743 320 E HN 0.205 nan 8.360 nan 0.000 0.453 321 E N -0.045 119.957 120.200 -0.331 0.000 2.047 321 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 321 E C 1.601 178.025 176.600 -0.294 0.000 0.987 321 E CA 1.268 57.429 56.400 -0.399 0.000 0.799 321 E CB -0.436 28.844 29.700 -0.700 0.000 0.752 321 E HN 0.338 nan 8.360 nan 0.000 0.449 322 F N 1.286 121.057 119.950 -0.299 0.000 2.063 322 F HA -0.334 4.193 4.527 -0.001 0.000 0.298 322 F C 2.370 177.777 175.800 -0.655 0.000 1.105 322 F CA 1.600 59.236 58.000 -0.608 0.000 1.215 322 F CB -0.366 37.764 39.000 -1.450 0.000 0.972 322 F HN 0.021 nan 8.300 nan 0.000 0.483 323 K N 0.085 120.243 120.400 -0.404 0.000 2.032 323 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 323 K C 2.127 178.713 176.600 -0.023 0.000 1.048 323 K CA 1.500 57.568 56.287 -0.365 0.000 0.927 323 K CB -0.472 31.829 32.500 -0.332 0.000 0.712 323 K HN 0.246 nan 8.250 nan 0.000 0.441 324 R N 1.745 122.217 120.500 -0.047 0.000 2.094 324 R HA -0.151 4.188 4.340 -0.001 0.000 0.239 324 R C 2.577 178.862 176.300 -0.025 0.000 1.137 324 R CA 1.703 57.796 56.100 -0.012 0.000 0.943 324 R CB -0.400 29.854 30.300 -0.076 0.000 0.850 324 R HN 0.304 nan 8.270 nan 0.000 0.433 325 L N -1.123 120.038 121.223 -0.103 0.000 2.093 325 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 325 L C 1.486 178.361 176.870 0.009 0.000 1.085 325 L CA 1.659 56.389 54.840 -0.184 0.000 0.755 325 L CB -0.871 40.962 42.059 -0.377 0.000 0.904 325 L HN 0.167 nan 8.230 nan 0.000 0.435 326 N N 0.755 119.533 118.700 0.131 0.000 2.331 326 N HA -0.048 4.691 4.740 -0.001 0.000 0.180 326 N C 1.928 177.559 175.510 0.202 0.000 1.019 326 N CA 1.082 54.271 53.050 0.233 0.000 0.881 326 N CB 0.159 38.911 38.487 0.442 0.000 0.972 326 N HN 0.363 nan 8.380 nan 0.000 0.435 327 I N 1.726 122.431 120.570 0.226 0.000 2.394 327 I HA -0.157 4.012 4.170 -0.001 0.000 0.251 327 I C 1.661 177.820 176.117 0.070 0.000 1.136 327 I CA 0.873 62.257 61.300 0.140 0.000 1.425 327 I CB -0.883 37.259 38.000 0.236 0.000 1.079 327 I HN 0.070 nan 8.210 nan 0.000 0.425 328 N N 1.247 119.992 118.700 0.075 0.000 2.244 328 N HA -0.066 4.674 4.740 -0.001 0.000 0.183 328 N C 1.935 177.481 175.510 0.061 0.000 1.016 328 N CA 1.356 54.455 53.050 0.081 0.000 0.866 328 N CB -0.055 38.477 38.487 0.075 0.000 0.980 328 N HN 0.317 nan 8.380 nan 0.000 0.430 329 A N 0.864 123.725 122.820 0.068 0.000 1.902 329 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 329 A C 2.337 179.846 177.584 -0.126 0.000 1.181 329 A CA 1.941 53.947 52.037 -0.052 0.000 0.623 329 A CB -0.765 18.275 19.000 0.066 0.000 0.818 329 A HN 0.308 nan 8.150 nan 0.000 0.443 330 A N -0.358 122.432 122.820 -0.051 0.000 1.898 330 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 330 A C 2.068 179.567 177.584 -0.142 0.000 1.181 330 A CA 1.664 53.638 52.037 -0.105 0.000 0.620 330 A CB -0.399 18.519 19.000 -0.136 0.000 0.819 330 A HN 0.516 nan 8.150 nan 0.000 0.442 331 K N 0.046 120.388 120.400 -0.096 0.000 2.280 331 K HA -0.022 4.298 4.320 -0.001 0.000 0.202 331 K C 1.209 177.750 176.600 -0.098 0.000 1.047 331 K CA 1.338 57.583 56.287 -0.070 0.000 0.942 331 K CB -0.039 32.458 32.500 -0.006 0.000 0.739 331 K HN 0.379 nan 8.250 nan 0.000 0.457 332 S N 0.638 116.223 115.700 -0.192 0.000 2.568 332 S HA 0.041 4.511 4.470 -0.001 0.000 0.232 332 S C 0.170 174.499 174.600 -0.452 0.000 0.975 332 S CA -0.422 57.604 58.200 -0.289 0.000 0.949 332 S CB 0.387 63.297 63.200 -0.483 0.000 0.829 332 S HN 0.306 nan 8.310 nan 0.000 0.479 333 S N 0.921 116.416 115.700 -0.342 0.000 2.589 333 S HA 0.296 4.766 4.470 -0.001 0.000 0.265 333 S C -0.005 174.455 174.600 -0.235 0.000 1.342 333 S CA -0.263 57.740 58.200 -0.328 0.000 1.005 333 S CB -0.017 63.084 63.200 -0.164 0.000 0.909 333 S HN 0.188 nan 8.310 nan 0.000 0.555 334 F N 0.401 120.235 119.950 -0.193 0.000 2.798 334 F HA 0.426 4.953 4.527 -0.001 0.000 0.291 334 F C 0.071 175.778 175.800 -0.155 0.000 1.174 334 F CA -1.215 56.531 58.000 -0.424 0.000 1.392 334 F CB -0.832 37.988 39.000 -0.301 0.000 0.966 334 F HN 0.232 nan 8.300 nan 0.000 0.509 335 L N 1.168 122.414 121.223 0.037 0.000 2.421 335 L HA 0.403 4.743 4.340 -0.001 0.000 0.263 335 L C -1.847 175.055 176.870 0.054 0.000 1.122 335 L CA -2.616 52.237 54.840 0.022 0.000 0.804 335 L CB 0.074 42.041 42.059 -0.153 0.000 1.150 335 L HN -0.084 nan 8.230 nan 0.000 0.457 336 P HA -0.039 nan 4.420 nan 0.000 0.264 336 P C 0.447 177.759 177.300 0.020 0.000 1.179 336 P CA 0.116 63.250 63.100 0.058 0.000 0.763 336 P CB 0.620 32.344 31.700 0.039 0.000 0.806 337 E N 2.154 122.373 120.200 0.030 0.000 2.160 337 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 337 E C 1.342 177.938 176.600 -0.007 0.000 0.991 337 E CA 1.659 58.066 56.400 0.012 0.000 0.810 337 E CB -0.458 29.257 29.700 0.025 0.000 0.742 337 E HN 0.550 nan 8.360 nan 0.000 0.466 338 D N 0.130 120.528 120.400 -0.003 0.000 2.097 338 D HA -0.197 4.443 4.640 -0.001 0.000 0.195 338 D C 1.445 177.727 176.300 -0.031 0.000 0.989 338 D CA 1.281 55.274 54.000 -0.011 0.000 0.827 338 D CB -0.735 40.063 40.800 -0.002 0.000 0.966 338 D HN 0.341 nan 8.370 nan 0.000 0.456 339 E N 0.701 120.878 120.200 -0.038 0.000 2.110 339 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 339 E C 2.097 178.621 176.600 -0.126 0.000 0.988 339 E CA 1.046 57.402 56.400 -0.074 0.000 0.804 339 E CB -0.162 29.495 29.700 -0.071 0.000 0.745 339 E HN 0.338 nan 8.360 nan 0.000 0.458 340 K N 1.263 121.586 120.400 -0.128 0.000 2.044 340 K HA -0.207 4.112 4.320 -0.001 0.000 0.210 340 K C 1.859 178.380 176.600 -0.132 0.000 1.049 340 K CA 1.380 57.572 56.287 -0.158 0.000 0.927 340 K CB 0.178 32.611 32.500 -0.112 0.000 0.713 340 K HN -0.112 nan 8.250 nan 0.000 0.443 341 K N 0.960 121.313 120.400 -0.079 0.000 2.148 341 K HA -0.121 4.199 4.320 -0.001 0.000 0.204 341 K C 1.942 178.500 176.600 -0.070 0.000 1.050 341 K CA 1.459 57.711 56.287 -0.057 0.000 0.942 341 K CB -0.214 32.277 32.500 -0.016 0.000 0.724 341 K HN 0.396 nan 8.250 nan 0.000 0.446 342 E N 0.904 121.061 120.200 -0.072 0.000 2.085 342 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 342 E C 1.907 178.443 176.600 -0.108 0.000 0.994 342 E CA 0.859 57.215 56.400 -0.072 0.000 0.801 342 E CB -0.189 29.476 29.700 -0.058 0.000 0.743 342 E HN 0.018 nan 8.360 nan 0.000 0.453 343 L N 0.848 121.980 121.223 -0.152 0.000 2.042 343 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 343 L C 2.020 178.746 176.870 -0.241 0.000 1.076 343 L CA 1.570 56.295 54.840 -0.191 0.000 0.749 343 L CB -0.378 41.531 42.059 -0.250 0.000 0.893 343 L HN 0.155 nan 8.230 nan 0.000 0.432 344 L N -0.569 120.493 121.223 -0.268 0.000 2.083 344 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 344 L C 2.307 178.851 176.870 -0.544 0.000 1.083 344 L CA 1.499 56.055 54.840 -0.474 0.000 0.752 344 L CB -0.666 41.149 42.059 -0.407 0.000 0.899 344 L HN 0.399 nan 8.230 nan 0.000 0.433 345 D N 0.339 120.617 120.400 -0.204 0.000 2.117 345 D HA -0.240 4.399 4.640 -0.001 0.000 0.197 345 D C 2.110 178.360 176.300 -0.083 0.000 0.987 345 D CA 1.259 55.233 54.000 -0.043 0.000 0.829 345 D CB -0.038 40.763 40.800 0.002 0.000 0.961 345 D HN 0.154 nan 8.370 nan 0.000 0.460 346 L N -0.013 121.128 121.223 -0.136 0.000 2.042 346 L HA -0.114 4.225 4.340 -0.001 0.000 0.210 346 L C 2.224 178.962 176.870 -0.219 0.000 1.076 346 L CA 1.430 56.189 54.840 -0.136 0.000 0.749 346 L CB -0.460 41.529 42.059 -0.117 0.000 0.893 346 L HN 0.116 nan 8.230 nan 0.000 0.432 347 L N -1.684 119.331 121.223 -0.348 0.000 2.156 347 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 347 L C 2.605 179.171 176.870 -0.507 0.000 1.095 347 L CA 1.355 55.837 54.840 -0.596 0.000 0.770 347 L CB -1.612 40.052 42.059 -0.659 0.000 0.914 347 L HN 0.292 nan 8.230 nan 0.000 0.439 348 Y N 1.086 121.263 120.300 -0.204 0.000 2.163 348 Y HA -0.190 4.359 4.550 -0.001 0.000 0.288 348 Y C 2.616 178.486 175.900 -0.050 0.000 1.136 348 Y CA 0.829 58.887 58.100 -0.071 0.000 1.147 348 Y CB -0.709 37.741 38.460 -0.017 0.000 0.987 348 Y HN 0.162 nan 8.280 nan 0.000 0.509 349 K N -0.155 120.303 120.400 0.095 0.000 2.032 349 K HA -0.163 4.157 4.320 -0.001 0.000 0.209 349 K C 2.385 179.000 176.600 0.024 0.000 1.048 349 K CA 1.385 57.701 56.287 0.049 0.000 0.927 349 K CB -0.465 32.048 32.500 0.021 0.000 0.712 349 K HN 0.237 nan 8.250 nan 0.000 0.441 350 A N 0.745 123.526 122.820 -0.064 0.000 1.933 350 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 350 A C 1.691 179.342 177.584 0.113 0.000 1.175 350 A CA 1.159 53.169 52.037 -0.046 0.000 0.628 350 A CB -0.814 18.098 19.000 -0.147 0.000 0.814 350 A HN 0.413 nan 8.150 nan 0.000 0.444 351 Y N -1.446 118.911 120.300 0.095 0.000 2.502 351 Y HA 0.136 4.686 4.550 -0.000 0.000 0.295 351 Y C 1.360 177.324 175.900 0.108 0.000 1.193 351 Y CA -0.446 57.730 58.100 0.127 0.000 1.295 351 Y CB 0.087 38.670 38.460 0.204 0.000 1.059 351 Y HN 0.199 nan 8.280 nan 0.000 0.514 352 R N 0.000 120.624 120.500 0.207 0.000 2.786 352 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 352 R CA 0.000 56.185 56.100 0.142 0.000 0.921 352 R CB 0.000 30.363 30.300 0.104 0.000 0.687 352 R HN 0.000 nan 8.270 nan 0.000 0.535