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 1iaw_1_B DATA FIRST_RESID 10 DATA SEQUENCE EPDDDLERVR ATLYSLDPDG DRTAGVLRDT LDQLYDGQRT GRWNFDQLHK DATA SEQUENCE TEKTHMGTLV EINLHREFQF GDGFETDYEI AGVQVDCKFS MSQGAWMLPP DATA SEQUENCE ESIGHICLVI WASDQQCAWT AGLVKVIPQF LGTANRDLKR RLTPEGRAQV DATA SEQUENCE VKLWPDHGKL QENLLLHIPG DVRDQIFSAK SSRGNQHGQA RVNELFRRVH DATA SEQUENCE GRLIGRAVIA TVAQQDDFMK RVRGSGGARS ILRPEGIIIL GHQDNDPKVA DATA SEQUENCE NDLGLPVPRK GQVVAARVVP ADEGDQRQTA EIQGRRWAVA VPGDPIVEAP DATA SEQUENCE VVPR 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 10 E HA 0.000 nan 4.350 nan 0.000 0.291 10 E C 0.000 176.594 176.600 -0.010 0.000 1.382 10 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 10 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 11 P HA -0.081 nan 4.420 nan 0.000 0.261 11 P C 0.656 177.948 177.300 -0.013 0.000 1.297 11 P CA 0.438 63.531 63.100 -0.011 0.000 0.757 11 P CB 0.077 31.772 31.700 -0.009 0.000 1.149 12 D N 1.422 121.815 120.400 -0.012 0.000 2.220 12 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 12 D C 0.741 177.027 176.300 -0.023 0.000 1.001 12 D CA 1.235 55.227 54.000 -0.015 0.000 0.875 12 D CB -0.089 40.705 40.800 -0.011 0.000 0.921 12 D HN 0.205 nan 8.370 nan 0.000 0.454 13 D N -0.065 120.322 120.400 -0.021 0.000 2.355 13 D HA -0.064 4.576 4.640 -0.000 0.000 0.218 13 D C 1.337 177.618 176.300 -0.032 0.000 1.004 13 D CA 0.191 54.175 54.000 -0.026 0.000 0.880 13 D CB 0.073 40.862 40.800 -0.019 0.000 0.911 13 D HN 0.330 nan 8.370 nan 0.000 0.528 14 D N 1.129 121.512 120.400 -0.029 0.000 2.084 14 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 14 D C 2.240 178.507 176.300 -0.054 0.000 0.981 14 D CA 0.282 54.264 54.000 -0.031 0.000 0.841 14 D CB -0.323 40.468 40.800 -0.016 0.000 0.997 14 D HN 0.164 nan 8.370 nan 0.000 0.454 15 L N 1.051 122.239 121.223 -0.058 0.000 1.989 15 L HA -0.197 4.142 4.340 -0.000 0.000 0.211 15 L C 2.252 179.051 176.870 -0.119 0.000 1.071 15 L CA 1.750 56.537 54.840 -0.089 0.000 0.749 15 L CB -0.189 41.823 42.059 -0.079 0.000 0.890 15 L HN 0.020 nan 8.230 nan 0.000 0.431 16 E N -0.564 119.578 120.200 -0.098 0.000 2.338 16 E HA -0.274 4.075 4.350 -0.000 0.000 0.197 16 E C 2.143 178.677 176.600 -0.109 0.000 1.007 16 E CA 0.730 57.064 56.400 -0.109 0.000 0.849 16 E CB 0.137 29.794 29.700 -0.072 0.000 0.774 16 E HN 0.383 nan 8.360 nan 0.000 0.506 17 R N -0.866 119.581 120.500 -0.089 0.000 2.189 17 R HA 0.062 4.402 4.340 -0.000 0.000 0.203 17 R C 2.038 178.280 176.300 -0.097 0.000 1.012 17 R CA 0.387 56.442 56.100 -0.075 0.000 1.015 17 R CB 0.306 30.577 30.300 -0.049 0.000 0.938 17 R HN 0.030 nan 8.270 nan 0.000 0.472 18 V N 0.629 120.472 119.914 -0.119 0.000 2.515 18 V HA -0.166 3.954 4.120 -0.000 0.000 0.250 18 V C 2.337 178.305 176.094 -0.210 0.000 1.058 18 V CA 1.827 64.041 62.300 -0.144 0.000 1.064 18 V CB -0.432 31.307 31.823 -0.141 0.000 0.675 18 V HN 0.312 nan 8.190 nan 0.000 0.461 19 R N 0.456 120.790 120.500 -0.278 0.000 2.073 19 R HA -0.075 4.264 4.340 -0.000 0.000 0.229 19 R C 2.311 178.352 176.300 -0.431 0.000 1.120 19 R CA 1.458 57.266 56.100 -0.487 0.000 0.967 19 R CB -0.436 29.514 30.300 -0.583 0.000 0.862 19 R HN 0.431 nan 8.270 nan 0.000 0.436 20 A N 0.077 122.760 122.820 -0.229 0.000 1.940 20 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 20 A C 2.096 179.663 177.584 -0.028 0.000 1.176 20 A CA 2.061 54.048 52.037 -0.084 0.000 0.631 20 A CB -0.803 18.173 19.000 -0.040 0.000 0.814 20 A HN 0.464 nan 8.150 nan 0.000 0.446 21 T N 0.039 114.560 114.554 -0.056 0.000 2.904 21 T HA 0.047 4.396 4.350 -0.000 0.000 0.267 21 T C 1.759 176.465 174.700 0.010 0.000 1.059 21 T CA 1.135 63.230 62.100 -0.008 0.000 1.137 21 T CB -0.242 68.617 68.868 -0.014 0.000 0.879 21 T HN 0.370 nan 8.240 nan 0.000 0.467 22 L N -0.382 120.807 121.223 -0.056 0.000 2.023 22 L HA -0.015 4.324 4.340 -0.000 0.000 0.205 22 L C 2.279 179.295 176.870 0.243 0.000 1.073 22 L CA 1.141 55.983 54.840 0.004 0.000 0.745 22 L CB -0.555 41.416 42.059 -0.145 0.000 0.900 22 L HN 0.205 nan 8.230 nan 0.000 0.435 23 Y N -0.450 119.864 120.300 0.023 0.000 2.569 23 Y HA -0.176 4.374 4.550 -0.001 0.000 0.293 23 Y C 2.850 178.837 175.900 0.145 0.000 1.144 23 Y CA 0.745 58.915 58.100 0.116 0.000 1.321 23 Y CB -0.760 37.696 38.460 -0.007 0.000 0.982 23 Y HN 0.156 nan 8.280 nan 0.000 0.558 24 S N -0.803 115.045 115.700 0.247 0.000 2.387 24 S HA -0.009 4.460 4.470 -0.000 0.000 0.221 24 S C 2.036 176.736 174.600 0.168 0.000 1.041 24 S CA 0.286 58.589 58.200 0.171 0.000 0.959 24 S CB -0.246 63.020 63.200 0.110 0.000 0.843 24 S HN 0.363 nan 8.310 nan 0.000 0.488 25 L N 0.660 121.981 121.223 0.163 0.000 2.093 25 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 25 L C 0.435 177.458 176.870 0.255 0.000 1.085 25 L CA 1.256 56.202 54.840 0.178 0.000 0.755 25 L CB -0.084 42.044 42.059 0.115 0.000 0.904 25 L HN 0.334 nan 8.230 nan 0.000 0.435 26 D N -1.419 119.162 120.400 0.302 0.000 2.586 26 D HA 0.111 4.751 4.640 -0.000 0.000 0.254 26 D C -1.722 174.824 176.300 0.411 0.000 1.248 26 D CA -1.515 52.664 54.000 0.298 0.000 0.843 26 D CB 0.956 41.956 40.800 0.332 0.000 1.332 26 D HN -0.177 nan 8.370 nan 0.000 0.523 27 P HA -0.136 nan 4.420 nan 0.000 0.215 27 P C 0.416 177.883 177.300 0.278 0.000 1.153 27 P CA 1.217 64.494 63.100 0.294 0.000 0.853 27 P CB 0.559 32.351 31.700 0.153 0.000 0.788 28 D N -1.634 118.844 120.400 0.130 0.000 2.338 28 D HA 0.106 4.745 4.640 -0.000 0.000 0.208 28 D C 1.492 177.678 176.300 -0.190 0.000 0.997 28 D CA 1.181 55.221 54.000 0.068 0.000 0.880 28 D CB 0.131 40.951 40.800 0.033 0.000 0.980 28 D HN 0.263 nan 8.370 nan 0.000 0.509 29 G N 1.755 110.255 108.800 -0.501 0.000 2.134 29 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.209 29 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.209 29 G C 0.467 175.056 174.900 -0.517 0.000 0.993 29 G CA 0.146 44.574 45.100 -1.120 0.000 0.669 29 G HN 0.149 nan 8.290 nan 0.000 0.519 30 D N -0.162 120.077 120.400 -0.268 0.000 2.317 30 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 30 D C 2.441 178.604 176.300 -0.228 0.000 0.966 30 D CA 0.618 54.504 54.000 -0.191 0.000 0.876 30 D CB 0.075 40.815 40.800 -0.100 0.000 0.927 30 D HN 0.586 nan 8.370 nan 0.000 0.519 31 R N 0.322 120.695 120.500 -0.211 0.000 2.066 31 R HA 0.012 4.351 4.340 -0.000 0.000 0.224 31 R C 2.299 178.432 176.300 -0.279 0.000 1.122 31 R CA 1.013 56.980 56.100 -0.220 0.000 0.974 31 R CB -0.498 29.711 30.300 -0.152 0.000 0.871 31 R HN 0.021 nan 8.270 nan 0.000 0.435 32 T N 1.594 116.003 114.554 -0.242 0.000 2.580 32 T HA -0.229 4.120 4.350 -0.000 0.000 0.265 32 T C 2.060 176.379 174.700 -0.635 0.000 1.063 32 T CA 1.715 63.614 62.100 -0.335 0.000 1.170 32 T CB -0.550 68.033 68.868 -0.474 0.000 0.863 32 T HN 0.386 nan 8.240 nan 0.000 0.418 33 A N 1.615 123.902 122.820 -0.889 0.000 1.909 33 A HA -0.132 4.187 4.320 -0.000 0.000 0.221 33 A C 2.660 179.923 177.584 -0.535 0.000 1.223 33 A CA 2.442 53.919 52.037 -0.934 0.000 0.658 33 A CB -1.624 17.073 19.000 -0.505 0.000 0.831 33 A HN 0.575 nan 8.150 nan 0.000 0.462 34 G N -1.296 107.286 108.800 -0.364 0.000 2.450 34 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 34 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 34 G C 1.461 176.202 174.900 -0.265 0.000 1.130 34 G CA 1.218 46.161 45.100 -0.262 0.000 0.760 34 G HN 0.395 nan 8.290 nan 0.000 0.557 35 V N 0.712 120.442 119.914 -0.306 0.000 2.453 35 V HA -0.049 4.070 4.120 -0.000 0.000 0.247 35 V C 2.866 178.802 176.094 -0.264 0.000 1.048 35 V CA 1.155 63.295 62.300 -0.265 0.000 1.049 35 V CB -0.250 31.425 31.823 -0.248 0.000 0.672 35 V HN 0.353 nan 8.190 nan 0.000 0.457 36 L N -0.258 120.764 121.223 -0.334 0.000 2.056 36 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 36 L C 2.723 179.440 176.870 -0.256 0.000 1.078 36 L CA 1.730 56.383 54.840 -0.313 0.000 0.749 36 L CB -0.647 41.179 42.059 -0.388 0.000 0.901 36 L HN 0.287 nan 8.230 nan 0.000 0.433 37 R N 0.900 121.258 120.500 -0.236 0.000 2.082 37 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 37 R C 1.821 178.028 176.300 -0.156 0.000 1.136 37 R CA 2.139 58.144 56.100 -0.157 0.000 0.935 37 R CB -0.629 29.597 30.300 -0.123 0.000 0.842 37 R HN 0.235 nan 8.270 nan 0.000 0.430 38 D N -0.708 119.595 120.400 -0.161 0.000 2.123 38 D HA -0.134 4.505 4.640 -0.000 0.000 0.196 38 D C 1.746 177.945 176.300 -0.168 0.000 0.992 38 D CA 2.068 55.981 54.000 -0.144 0.000 0.833 38 D CB -0.508 40.207 40.800 -0.143 0.000 0.954 38 D HN 0.354 nan 8.370 nan 0.000 0.455 39 T N 0.686 115.120 114.554 -0.200 0.000 2.821 39 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 39 T C 2.172 176.706 174.700 -0.277 0.000 1.046 39 T CA 0.389 62.358 62.100 -0.219 0.000 1.139 39 T CB -0.146 68.580 68.868 -0.236 0.000 0.871 39 T HN 0.123 nan 8.240 nan 0.000 0.454 40 L N 0.959 121.987 121.223 -0.326 0.000 2.017 40 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 40 L C 2.437 178.831 176.870 -0.793 0.000 1.073 40 L CA 1.210 55.723 54.840 -0.545 0.000 0.745 40 L CB -0.554 41.254 42.059 -0.419 0.000 0.894 40 L HN 0.158 nan 8.230 nan 0.000 0.432 41 D N -0.599 119.559 120.400 -0.402 0.000 2.219 41 D HA -0.212 4.428 4.640 -0.000 0.000 0.205 41 D C 2.094 178.312 176.300 -0.136 0.000 0.970 41 D CA 0.915 54.799 54.000 -0.194 0.000 0.851 41 D CB -0.012 40.756 40.800 -0.052 0.000 0.943 41 D HN 0.407 nan 8.370 nan 0.000 0.488 42 Q N -0.031 119.672 119.800 -0.162 0.000 2.049 42 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 42 Q C 2.160 178.115 176.000 -0.075 0.000 0.971 42 Q CA 0.589 56.336 55.803 -0.094 0.000 0.833 42 Q CB -0.079 28.601 28.738 -0.097 0.000 0.896 42 Q HN 0.137 nan 8.270 nan 0.000 0.434 43 L N 0.363 121.501 121.223 -0.143 0.000 2.042 43 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 43 L C 1.883 178.767 176.870 0.023 0.000 1.076 43 L CA 1.804 56.598 54.840 -0.078 0.000 0.749 43 L CB -0.862 41.116 42.059 -0.134 0.000 0.893 43 L HN 0.365 nan 8.230 nan 0.000 0.432 44 Y N -0.752 119.532 120.300 -0.027 0.000 2.224 44 Y HA -0.224 4.326 4.550 0.001 0.000 0.289 44 Y C 1.065 176.943 175.900 -0.037 0.000 1.146 44 Y CA 0.360 58.431 58.100 -0.048 0.000 1.182 44 Y CB -0.073 38.373 38.460 -0.024 0.000 0.983 44 Y HN 0.226 nan 8.280 nan 0.000 0.524 45 D N 0.022 120.501 120.400 0.132 0.000 2.705 45 D HA -0.146 4.493 4.640 -0.000 0.000 0.240 45 D C 1.106 177.441 176.300 0.059 0.000 1.137 45 D CA 0.601 54.640 54.000 0.065 0.000 0.677 45 D CB -1.211 39.617 40.800 0.046 0.000 1.049 45 D HN 0.517 nan 8.370 nan 0.000 0.427 46 G N 0.273 109.119 108.800 0.078 0.000 2.517 46 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.222 46 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.222 46 G C 1.180 176.070 174.900 -0.017 0.000 1.109 46 G CA 1.337 46.467 45.100 0.049 0.000 0.746 46 G HN 0.551 nan 8.290 nan 0.000 0.576 47 Q N 0.297 120.062 119.800 -0.059 0.000 2.083 47 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 47 Q C 2.686 178.692 176.000 0.009 0.000 0.969 47 Q CA 1.438 57.197 55.803 -0.073 0.000 0.838 47 Q CB -0.060 28.645 28.738 -0.055 0.000 0.900 47 Q HN 0.684 nan 8.270 nan 0.000 0.436 48 R N -0.784 119.730 120.500 0.024 0.000 2.210 48 R HA 0.020 4.359 4.340 -0.000 0.000 0.203 48 R C 1.575 177.892 176.300 0.028 0.000 1.010 48 R CA 1.550 57.669 56.100 0.032 0.000 1.008 48 R CB -0.113 30.206 30.300 0.030 0.000 0.923 48 R HN 0.156 nan 8.270 nan 0.000 0.469 49 T N -4.209 110.359 114.554 0.024 0.000 3.040 49 T HA 0.273 4.622 4.350 -0.000 0.000 0.266 49 T C 1.267 175.972 174.700 0.008 0.000 1.005 49 T CA 0.198 62.305 62.100 0.012 0.000 0.906 49 T CB 0.778 69.644 68.868 -0.003 0.000 1.082 49 T HN 0.385 nan 8.240 nan 0.000 0.531 50 G N 2.369 111.194 108.800 0.042 0.000 2.212 50 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 50 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 50 G C 0.115 175.057 174.900 0.069 0.000 1.002 50 G CA 0.340 45.495 45.100 0.091 0.000 0.729 50 G HN 0.726 nan 8.290 nan 0.000 0.517 51 R N -1.323 119.168 120.500 -0.016 0.000 2.459 51 R HA 0.516 4.856 4.340 -0.000 0.000 0.281 51 R C 0.856 177.075 176.300 -0.134 0.000 1.050 51 R CA -0.019 55.963 56.100 -0.196 0.000 1.055 51 R CB 0.471 30.604 30.300 -0.278 0.000 1.045 51 R HN 0.635 nan 8.270 nan 0.000 0.495 52 W N 0.220 121.243 121.300 -0.462 0.000 1.780 52 W HA 0.342 5.000 4.660 -0.003 0.000 0.256 52 W C -0.780 175.196 176.519 -0.904 0.000 0.844 52 W CA -0.498 56.528 57.345 -0.532 0.000 1.227 52 W CB 0.538 29.881 29.460 -0.196 0.000 1.006 52 W HN 0.276 nan 8.180 nan 0.000 0.493 53 N N 0.974 118.694 118.700 -1.634 0.000 2.287 53 N HA 0.112 4.852 4.740 -0.000 0.000 0.289 53 N C -0.428 174.679 175.510 -0.673 0.000 1.066 53 N CA -0.573 51.812 53.050 -1.107 0.000 0.841 53 N CB 1.170 39.036 38.487 -1.035 0.000 1.599 53 N HN -0.035 nan 8.380 nan 0.000 0.476 54 F N 2.360 122.154 119.950 -0.261 0.000 2.192 54 F HA -0.211 4.315 4.527 -0.001 0.000 0.301 54 F C 1.908 177.666 175.800 -0.070 0.000 1.079 54 F CA 2.045 60.075 58.000 0.049 0.000 1.303 54 F CB 0.312 39.406 39.000 0.158 0.000 1.024 54 F HN 0.630 nan 8.300 nan 0.000 0.494 55 D N -0.711 119.700 120.400 0.020 0.000 2.349 55 D HA -0.131 4.509 4.640 -0.000 0.000 0.224 55 D C 1.353 177.525 176.300 -0.214 0.000 1.029 55 D CA 0.598 54.566 54.000 -0.054 0.000 0.879 55 D CB -0.864 39.926 40.800 -0.017 0.000 0.906 55 D HN 0.443 nan 8.370 nan 0.000 0.528 56 Q N -0.113 119.482 119.800 -0.341 0.000 2.403 56 Q HA 0.227 4.567 4.340 -0.000 0.000 0.203 56 Q C 0.347 176.122 176.000 -0.374 0.000 0.932 56 Q CA 0.007 55.570 55.803 -0.400 0.000 0.945 56 Q CB 0.631 29.034 28.738 -0.557 0.000 1.045 56 Q HN 0.351 nan 8.270 nan 0.000 0.511 57 L N 0.789 121.807 121.223 -0.342 0.000 2.375 57 L HA 0.257 4.596 4.340 -0.000 0.000 0.271 57 L C 0.036 176.747 176.870 -0.265 0.000 1.107 57 L CA -0.747 53.911 54.840 -0.302 0.000 0.806 57 L CB 0.600 42.440 42.059 -0.364 0.000 1.146 57 L HN 0.138 nan 8.230 nan 0.000 0.447 58 H N 0.796 119.784 119.070 -0.137 0.000 2.757 58 H HA 0.016 4.572 4.556 -0.000 0.000 0.370 58 H C 0.761 176.038 175.328 -0.085 0.000 1.172 58 H CA 0.109 56.099 56.048 -0.095 0.000 1.426 58 H CB 0.801 30.518 29.762 -0.076 0.000 1.438 58 H HN 0.485 nan 8.280 nan 0.000 0.612 59 K N 0.388 120.834 120.400 0.077 0.000 2.020 59 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 59 K C 1.888 178.517 176.600 0.049 0.000 1.050 59 K CA 2.152 58.467 56.287 0.046 0.000 0.929 59 K CB -0.345 32.183 32.500 0.047 0.000 0.714 59 K HN 0.837 nan 8.250 nan 0.000 0.443 60 T N -1.800 112.780 114.554 0.045 0.000 3.007 60 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 60 T C 1.513 176.233 174.700 0.032 0.000 1.107 60 T CA 1.189 63.308 62.100 0.031 0.000 1.118 60 T CB -0.064 68.802 68.868 -0.003 0.000 0.889 60 T HN 0.362 nan 8.240 nan 0.000 0.506 61 E N 1.160 121.374 120.200 0.024 0.000 2.051 61 E HA -0.022 4.328 4.350 -0.000 0.000 0.189 61 E C 2.357 178.961 176.600 0.008 0.000 0.979 61 E CA 0.728 57.136 56.400 0.014 0.000 0.803 61 E CB -0.025 29.677 29.700 0.002 0.000 0.761 61 E HN 0.530 nan 8.360 nan 0.000 0.451 62 K N 0.236 120.584 120.400 -0.085 0.000 2.127 62 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 62 K C 2.237 178.939 176.600 0.171 0.000 1.047 62 K CA 1.552 57.762 56.287 -0.129 0.000 0.927 62 K CB -0.314 32.142 32.500 -0.073 0.000 0.716 62 K HN 0.051 nan 8.250 nan 0.000 0.450 63 T N -0.045 114.604 114.554 0.159 0.000 2.746 63 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 63 T C 1.585 176.418 174.700 0.221 0.000 1.039 63 T CA 1.425 63.644 62.100 0.198 0.000 1.142 63 T CB -0.283 68.670 68.868 0.142 0.000 0.866 63 T HN 0.314 nan 8.240 nan 0.000 0.444 64 H N 0.343 119.452 119.070 0.064 0.000 2.489 64 H HA -0.016 4.539 4.556 -0.001 0.000 0.295 64 H C 2.015 177.366 175.328 0.040 0.000 1.082 64 H CA 1.459 57.530 56.048 0.038 0.000 1.295 64 H CB -0.401 29.363 29.762 0.003 0.000 1.380 64 H HN 0.209 nan 8.280 nan 0.000 0.548 65 M N -0.388 119.261 119.600 0.081 0.000 2.108 65 M HA -0.113 4.366 4.480 -0.000 0.000 0.257 65 M C 2.403 178.611 176.300 -0.153 0.000 1.071 65 M CA 2.062 57.339 55.300 -0.038 0.000 1.093 65 M CB -0.870 31.827 32.600 0.162 0.000 1.345 65 M HN 0.318 nan 8.290 nan 0.000 0.403 66 G N -1.995 106.839 108.800 0.058 0.000 2.402 66 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.216 66 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.216 66 G C 1.425 176.320 174.900 -0.008 0.000 1.162 66 G CA 1.227 46.391 45.100 0.106 0.000 0.777 66 G HN 0.504 nan 8.290 nan 0.000 0.539 67 T N 1.484 115.996 114.554 -0.071 0.000 2.708 67 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 67 T C 2.428 177.005 174.700 -0.205 0.000 1.037 67 T CA 0.944 62.968 62.100 -0.128 0.000 1.146 67 T CB -0.219 68.560 68.868 -0.147 0.000 0.865 67 T HN 0.138 nan 8.240 nan 0.000 0.435 68 L N 0.640 121.653 121.223 -0.350 0.000 2.046 68 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 68 L C 2.681 179.456 176.870 -0.159 0.000 1.077 68 L CA 0.846 55.521 54.840 -0.275 0.000 0.747 68 L CB -0.706 41.165 42.059 -0.313 0.000 0.896 68 L HN 0.145 nan 8.230 nan 0.000 0.432 69 V N -0.156 119.658 119.914 -0.168 0.000 2.295 69 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 69 V C 2.631 178.752 176.094 0.045 0.000 1.049 69 V CA 1.981 64.216 62.300 -0.108 0.000 1.024 69 V CB -0.556 31.164 31.823 -0.171 0.000 0.648 69 V HN 0.521 nan 8.190 nan 0.000 0.447 70 E N 0.480 120.729 120.200 0.082 0.000 2.058 70 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 70 E C 2.167 178.919 176.600 0.253 0.000 0.997 70 E CA 1.904 58.428 56.400 0.206 0.000 0.801 70 E CB -0.229 29.521 29.700 0.084 0.000 0.746 70 E HN 0.615 nan 8.360 nan 0.000 0.450 71 I N 1.351 121.980 120.570 0.099 0.000 2.286 71 I HA -0.278 3.891 4.170 -0.000 0.000 0.248 71 I C 2.081 178.265 176.117 0.111 0.000 1.115 71 I CA 1.054 62.404 61.300 0.083 0.000 1.392 71 I CB -0.382 37.614 38.000 -0.007 0.000 1.065 71 I HN 0.083 nan 8.210 nan 0.000 0.418 72 N N 0.771 119.497 118.700 0.043 0.000 2.250 72 N HA -0.032 4.707 4.740 -0.000 0.000 0.181 72 N C 1.950 177.448 175.510 -0.019 0.000 1.017 72 N CA 1.028 54.069 53.050 -0.015 0.000 0.866 72 N CB -0.257 38.182 38.487 -0.079 0.000 0.985 72 N HN 0.315 nan 8.380 nan 0.000 0.429 73 L N -0.000 121.270 121.223 0.079 0.000 2.141 73 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 73 L C 2.302 179.196 176.870 0.040 0.000 1.094 73 L CA 0.978 55.885 54.840 0.112 0.000 0.763 73 L CB -0.421 41.850 42.059 0.353 0.000 0.908 73 L HN 0.240 nan 8.230 nan 0.000 0.437 74 H N 0.464 119.576 119.070 0.070 0.000 2.321 74 H HA -0.140 4.416 4.556 -0.000 0.000 0.300 74 H C 2.457 177.724 175.328 -0.102 0.000 1.087 74 H CA 1.852 57.928 56.048 0.046 0.000 1.319 74 H CB 0.188 30.097 29.762 0.245 0.000 1.379 74 H HN 0.090 nan 8.280 nan 0.000 0.501 75 R N -0.319 120.189 120.500 0.013 0.000 2.073 75 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 75 R C 2.319 178.467 176.300 -0.253 0.000 1.120 75 R CA 1.299 57.343 56.100 -0.093 0.000 0.967 75 R CB -0.109 30.167 30.300 -0.040 0.000 0.862 75 R HN 0.348 nan 8.270 nan 0.000 0.436 76 E N 0.706 120.694 120.200 -0.354 0.000 2.038 76 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 76 E C 0.925 177.079 176.600 -0.745 0.000 1.000 76 E CA 1.589 57.636 56.400 -0.589 0.000 0.803 76 E CB -0.132 29.079 29.700 -0.815 0.000 0.750 76 E HN 0.329 nan 8.360 nan 0.000 0.448 77 F N 0.520 120.126 119.950 -0.572 0.000 2.693 77 F HA 0.236 4.762 4.527 -0.001 0.000 0.303 77 F C 0.388 175.746 175.800 -0.735 0.000 1.097 77 F CA -0.235 57.309 58.000 -0.761 0.000 1.330 77 F CB 0.317 38.505 39.000 -1.353 0.000 1.067 77 F HN -0.147 nan 8.300 nan 0.000 0.565 78 Q N 0.400 119.931 119.800 -0.449 0.000 2.416 78 Q HA -0.234 4.106 4.340 -0.000 0.000 0.319 78 Q C -0.505 175.301 176.000 -0.323 0.000 1.318 78 Q CA 0.601 56.199 55.803 -0.343 0.000 0.915 78 Q CB -2.050 26.576 28.738 -0.187 0.000 1.184 78 Q HN 0.287 nan 8.270 nan 0.000 0.444 79 F N 0.089 119.796 119.950 -0.405 0.000 2.539 79 F HA 0.326 4.853 4.527 -0.001 0.000 0.340 79 F C 1.796 177.445 175.800 -0.252 0.000 1.185 79 F CA 0.436 58.236 58.000 -0.334 0.000 1.333 79 F CB 0.298 38.998 39.000 -0.501 0.000 1.152 79 F HN 0.092 nan 8.300 nan 0.000 0.602 80 G N 0.740 109.657 108.800 0.194 0.000 2.451 80 G HA2 0.260 4.219 3.960 -0.000 0.000 0.303 80 G HA3 0.260 4.219 3.960 -0.000 0.000 0.303 80 G C -0.797 174.283 174.900 0.300 0.000 1.166 80 G CA -0.806 44.403 45.100 0.181 0.000 0.884 80 G HN 0.528 nan 8.290 nan 0.000 0.514 81 D N -0.150 120.427 120.400 0.294 0.000 2.372 81 D HA 0.318 4.958 4.640 -0.000 0.000 0.243 81 D C 0.760 177.164 176.300 0.174 0.000 1.121 81 D CA 0.419 54.582 54.000 0.273 0.000 0.898 81 D CB 1.616 42.531 40.800 0.191 0.000 1.202 81 D HN 0.405 nan 8.370 nan 0.000 0.428 82 G N 0.188 109.056 108.800 0.113 0.000 2.476 82 G HA2 0.190 4.150 3.960 -0.000 0.000 0.286 82 G HA3 0.190 4.150 3.960 -0.000 0.000 0.286 82 G C 0.375 175.320 174.900 0.075 0.000 1.177 82 G CA -0.662 44.477 45.100 0.065 0.000 0.870 82 G HN 0.499 nan 8.290 nan 0.000 0.528 83 F N -0.060 119.879 119.950 -0.018 0.000 2.146 83 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 83 F C 2.016 177.803 175.800 -0.021 0.000 1.096 83 F CA 2.093 60.088 58.000 -0.007 0.000 1.275 83 F CB 0.517 39.519 39.000 0.004 0.000 1.008 83 F HN 0.545 nan 8.300 nan 0.000 0.480 84 E N -0.529 119.566 120.200 -0.174 0.000 2.606 84 E HA 0.102 4.452 4.350 -0.000 0.000 0.224 84 E C 0.176 176.649 176.600 -0.211 0.000 0.930 84 E CA 0.428 56.666 56.400 -0.271 0.000 1.125 84 E CB 0.426 30.072 29.700 -0.090 0.000 1.123 84 E HN 0.409 nan 8.360 nan 0.000 0.522 85 T N -2.377 112.049 114.554 -0.213 0.000 2.870 85 T HA 0.259 4.609 4.350 -0.000 0.000 0.277 85 T C 0.750 175.320 174.700 -0.216 0.000 1.000 85 T CA -0.611 61.336 62.100 -0.256 0.000 0.982 85 T CB 1.219 69.875 68.868 -0.353 0.000 1.249 85 T HN -0.252 nan 8.240 nan 0.000 0.589 86 D N -0.282 119.920 120.400 -0.329 0.000 2.117 86 D HA 0.062 4.701 4.640 -0.000 0.000 0.198 86 D C 0.092 176.225 176.300 -0.278 0.000 0.982 86 D CA 1.690 55.416 54.000 -0.456 0.000 0.828 86 D CB 0.027 40.287 40.800 -0.900 0.000 0.967 86 D HN 0.614 nan 8.370 nan 0.000 0.464 87 Y N -0.973 119.311 120.300 -0.027 0.000 2.669 87 Y HA 0.453 5.003 4.550 -0.001 0.000 0.335 87 Y C -0.151 175.702 175.900 -0.080 0.000 1.116 87 Y CA -1.240 56.844 58.100 -0.026 0.000 1.081 87 Y CB 1.789 40.128 38.460 -0.202 0.000 1.297 87 Y HN -0.391 nan 8.280 nan 0.000 0.484 88 E N 1.762 122.045 120.200 0.138 0.000 2.244 88 E HA 0.588 4.938 4.350 -0.000 0.000 0.260 88 E C -1.943 174.660 176.600 0.006 0.000 0.884 88 E CA -0.371 56.060 56.400 0.052 0.000 0.777 88 E CB 1.312 31.058 29.700 0.077 0.000 1.197 88 E HN 0.572 nan 8.360 nan 0.000 0.416 89 I N 3.161 123.697 120.570 -0.056 0.000 2.499 89 I HA 0.428 4.598 4.170 -0.000 0.000 0.288 89 I C 0.264 176.355 176.117 -0.043 0.000 1.048 89 I CA -0.771 60.481 61.300 -0.080 0.000 1.062 89 I CB 2.020 39.878 38.000 -0.236 0.000 1.238 89 I HN 0.776 nan 8.210 nan 0.000 0.426 90 A N 4.435 127.248 122.820 -0.012 0.000 2.783 90 A HA -0.096 4.223 4.320 -0.000 0.000 0.292 90 A C 1.475 179.055 177.584 -0.007 0.000 1.495 90 A CA 1.056 53.087 52.037 -0.009 0.000 0.787 90 A CB -1.949 17.036 19.000 -0.026 0.000 1.017 90 A HN 2.071 nan 8.150 nan 0.000 0.516 91 G N -3.520 105.282 108.800 0.004 0.000 2.166 91 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.260 91 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.260 91 G C 0.357 175.262 174.900 0.008 0.000 0.986 91 G CA 0.741 45.847 45.100 0.009 0.000 0.683 91 G HN 1.870 nan 8.290 nan 0.000 0.527 92 V N 1.714 121.626 119.914 -0.004 0.000 2.394 92 V HA 0.361 4.481 4.120 -0.000 0.000 0.282 92 V C 0.583 176.673 176.094 -0.007 0.000 1.031 92 V CA -0.938 61.361 62.300 -0.001 0.000 0.881 92 V CB 1.788 33.599 31.823 -0.020 0.000 0.982 92 V HN 0.354 nan 8.190 nan 0.000 0.451 93 Q N 3.084 122.889 119.800 0.008 0.000 2.311 93 Q HA 0.364 4.704 4.340 -0.000 0.000 0.272 93 Q C -0.738 175.199 176.000 -0.105 0.000 1.012 93 Q CA 0.139 55.903 55.803 -0.066 0.000 0.891 93 Q CB 1.730 30.377 28.738 -0.151 0.000 1.201 93 Q HN 0.523 nan 8.270 nan 0.000 0.391 94 V N 3.275 123.111 119.914 -0.131 0.000 2.733 94 V HA 0.215 4.335 4.120 -0.000 0.000 0.306 94 V C -0.752 175.205 176.094 -0.228 0.000 1.084 94 V CA -0.863 61.359 62.300 -0.129 0.000 0.905 94 V CB 2.449 34.226 31.823 -0.077 0.000 1.010 94 V HN 0.652 nan 8.190 nan 0.000 0.424 95 D N 1.824 122.099 120.400 -0.209 0.000 2.163 95 D HA 0.394 5.034 4.640 -0.000 0.000 0.248 95 D C -0.557 175.628 176.300 -0.192 0.000 1.035 95 D CA -0.080 53.769 54.000 -0.251 0.000 0.872 95 D CB 1.949 42.659 40.800 -0.151 0.000 1.183 95 D HN 0.636 nan 8.370 nan 0.000 0.445 96 C N 3.430 122.597 119.300 -0.222 0.000 2.307 96 C HA 0.516 4.975 4.460 -0.000 0.000 0.340 96 C C -0.784 174.225 174.990 0.031 0.000 1.275 96 C CA -0.489 58.509 59.018 -0.033 0.000 1.811 96 C CB -0.616 27.143 27.740 0.032 0.000 2.372 96 C HN 0.316 nan 8.230 nan 0.000 0.531 97 K N 5.012 125.457 120.400 0.076 0.000 2.427 97 K HA 0.586 4.905 4.320 -0.000 0.000 0.252 97 K C -1.236 175.577 176.600 0.355 0.000 0.931 97 K CA -0.225 56.156 56.287 0.157 0.000 0.793 97 K CB 2.180 34.709 32.500 0.049 0.000 1.211 97 K HN 0.731 nan 8.250 nan 0.000 0.426 98 F N 0.168 120.331 119.950 0.354 0.000 2.599 98 F HA 0.587 5.113 4.527 -0.001 0.000 0.311 98 F C -0.967 175.094 175.800 0.435 0.000 1.076 98 F CA -0.388 57.884 58.000 0.454 0.000 0.937 98 F CB 2.186 41.347 39.000 0.269 0.000 1.282 98 F HN 0.418 nan 8.300 nan 0.000 0.460 99 S N 5.103 120.282 115.700 -0.867 0.000 2.537 99 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 99 S C 0.366 174.458 174.600 -0.847 0.000 1.148 99 S CA -0.522 57.291 58.200 -0.645 0.000 0.868 99 S CB 1.472 64.413 63.200 -0.431 0.000 1.115 99 S HN 0.912 nan 8.310 nan 0.000 0.461 100 M N 1.698 121.094 119.600 -0.340 0.000 2.562 100 M HA 0.297 4.777 4.480 -0.000 0.000 0.257 100 M C -0.006 176.341 176.300 0.079 0.000 1.099 100 M CA 0.860 56.063 55.300 -0.162 0.000 1.099 100 M CB -0.193 32.348 32.600 -0.098 0.000 1.427 100 M HN 0.300 nan 8.290 nan 0.000 0.489 101 S N 1.941 117.593 115.700 -0.079 0.000 2.456 101 S HA 0.334 4.804 4.470 -0.000 0.000 0.316 101 S C -0.589 173.696 174.600 -0.526 0.000 1.089 101 S CA -0.702 57.381 58.200 -0.196 0.000 1.101 101 S CB 1.557 64.641 63.200 -0.194 0.000 0.995 101 S HN 0.403 nan 8.310 nan 0.000 0.468 102 Q N 1.855 121.128 119.800 -0.879 0.000 2.308 102 Q HA 0.274 4.614 4.340 -0.000 0.000 0.313 102 Q C 1.284 176.753 176.000 -0.886 0.000 1.075 102 Q CA 1.825 56.970 55.803 -1.096 0.000 0.995 102 Q CB -0.343 27.678 28.738 -1.195 0.000 1.107 102 Q HN 1.076 nan 8.270 nan 0.000 0.380 103 G N 2.627 110.642 108.800 -1.309 0.000 2.175 103 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.265 103 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.265 103 G C 0.500 174.770 174.900 -1.051 0.000 0.979 103 G CA 0.586 44.860 45.100 -1.378 0.000 0.663 103 G HN 1.183 nan 8.290 nan 0.000 0.533 104 A N 0.026 122.213 122.820 -1.055 0.000 2.415 104 A HA 0.483 4.802 4.320 -0.000 0.000 0.248 104 A C 1.027 178.414 177.584 -0.329 0.000 1.299 104 A CA -0.252 51.474 52.037 -0.518 0.000 0.899 104 A CB -0.232 18.549 19.000 -0.365 0.000 0.997 104 A HN 0.554 nan 8.150 nan 0.000 0.506 105 W N 0.017 121.305 121.300 -0.021 0.000 2.293 105 W HA 0.085 4.746 4.660 0.001 0.000 0.342 105 W C 0.092 176.624 176.519 0.022 0.000 1.274 105 W CA -0.207 57.144 57.345 0.008 0.000 1.290 105 W CB -0.069 29.407 29.460 0.026 0.000 1.176 105 W HN 0.158 nan 8.180 nan 0.000 0.570 106 M N 4.884 124.624 119.600 0.233 0.000 2.094 106 M HA 0.275 4.754 4.480 -0.000 0.000 0.348 106 M C -0.441 175.950 176.300 0.151 0.000 1.267 106 M CA -0.497 54.895 55.300 0.152 0.000 1.125 106 M CB -0.212 32.456 32.600 0.114 0.000 1.527 106 M HN 0.156 nan 8.290 nan 0.000 0.447 107 L N 7.056 128.360 121.223 0.135 0.000 2.255 107 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 107 L C -1.886 175.032 176.870 0.080 0.000 1.046 107 L CA -1.667 53.238 54.840 0.108 0.000 0.816 107 L CB 0.783 42.909 42.059 0.112 0.000 1.197 107 L HN 0.321 nan 8.230 nan 0.000 0.427 108 P HA 0.218 nan 4.420 nan 0.000 0.276 108 P C -2.248 175.081 177.300 0.048 0.000 1.252 108 P CA -1.659 61.473 63.100 0.053 0.000 0.802 108 P CB 0.787 32.514 31.700 0.045 0.000 1.035 109 P HA -0.181 nan 4.420 nan 0.000 0.216 109 P C 1.286 178.608 177.300 0.036 0.000 1.150 109 P CA 1.692 64.810 63.100 0.031 0.000 0.837 109 P CB -0.206 31.507 31.700 0.022 0.000 0.786 110 E N 1.018 121.244 120.200 0.043 0.000 2.510 110 E HA -0.100 4.250 4.350 -0.000 0.000 0.202 110 E C 1.425 178.099 176.600 0.123 0.000 1.072 110 E CA 1.259 57.697 56.400 0.063 0.000 0.883 110 E CB -0.705 29.024 29.700 0.047 0.000 0.818 110 E HN 0.356 nan 8.360 nan 0.000 0.548 111 S N 0.217 115.981 115.700 0.106 0.000 2.517 111 S HA 0.157 4.627 4.470 -0.000 0.000 0.214 111 S C 1.111 175.772 174.600 0.102 0.000 0.991 111 S CA -0.579 57.718 58.200 0.161 0.000 0.906 111 S CB -0.393 62.865 63.200 0.097 0.000 0.789 111 S HN 0.177 nan 8.310 nan 0.000 0.513 112 I N 2.662 123.250 120.570 0.029 0.000 2.741 112 I HA 0.254 4.423 4.170 -0.000 0.000 0.288 112 I C 1.597 177.635 176.117 -0.132 0.000 1.192 112 I CA 1.368 62.653 61.300 -0.025 0.000 1.426 112 I CB 0.200 38.185 38.000 -0.024 0.000 1.367 112 I HN 0.573 nan 8.210 nan 0.000 0.563 113 G N 4.370 113.097 108.800 -0.122 0.000 2.213 113 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.236 113 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.236 113 G C 0.300 175.059 174.900 -0.234 0.000 0.991 113 G CA -0.465 44.515 45.100 -0.200 0.000 0.629 113 G HN 0.637 nan 8.290 nan 0.000 0.517 114 H N -0.361 118.708 119.070 -0.002 0.000 2.570 114 H HA 0.667 5.222 4.556 -0.001 0.000 0.342 114 H C 0.520 175.834 175.328 -0.025 0.000 1.245 114 H CA -0.488 55.552 56.048 -0.013 0.000 1.318 114 H CB 1.098 30.850 29.762 -0.017 0.000 1.694 114 H HN 0.184 nan 8.280 nan 0.000 0.592 115 I N 0.809 121.450 120.570 0.119 0.000 2.385 115 I HA 0.131 4.301 4.170 -0.000 0.000 0.294 115 I C -0.175 175.932 176.117 -0.017 0.000 0.988 115 I CA -0.216 61.095 61.300 0.018 0.000 1.265 115 I CB 0.976 38.966 38.000 -0.017 0.000 1.388 115 I HN 0.222 nan 8.210 nan 0.000 0.480 116 C N 6.297 125.562 119.300 -0.058 0.000 2.408 116 C HA 0.402 4.862 4.460 -0.000 0.000 0.321 116 C C -0.149 174.756 174.990 -0.143 0.000 1.245 116 C CA -0.632 58.328 59.018 -0.097 0.000 1.523 116 C CB 1.362 29.039 27.740 -0.106 0.000 2.178 116 C HN 0.521 nan 8.230 nan 0.000 0.488 117 L N 6.607 127.768 121.223 -0.103 0.000 2.312 117 L HA 0.511 4.850 4.340 -0.000 0.000 0.287 117 L C 0.059 176.851 176.870 -0.131 0.000 1.091 117 L CA 0.338 55.137 54.840 -0.068 0.000 0.846 117 L CB 0.333 42.426 42.059 0.057 0.000 1.219 117 L HN 0.587 nan 8.230 nan 0.000 0.439 118 V N 4.263 123.981 119.914 -0.327 0.000 2.383 118 V HA 0.606 4.726 4.120 -0.000 0.000 0.275 118 V C 0.142 176.143 176.094 -0.155 0.000 1.036 118 V CA -0.545 61.329 62.300 -0.710 0.000 0.889 118 V CB 0.764 31.487 31.823 -1.833 0.000 0.985 118 V HN 0.617 nan 8.190 nan 0.000 0.459 119 I N 4.861 125.584 120.570 0.256 0.000 2.646 119 I HA 0.676 4.845 4.170 -0.000 0.000 0.299 119 I C -0.876 175.740 176.117 0.832 0.000 1.036 119 I CA -0.463 61.222 61.300 0.641 0.000 1.074 119 I CB 2.363 40.742 38.000 0.631 0.000 1.258 119 I HN 0.888 nan 8.210 nan 0.000 0.430 120 W N 5.546 127.165 121.300 0.532 0.000 3.033 120 W HA 0.802 5.461 4.660 -0.002 0.000 0.336 120 W C -1.732 175.039 176.519 0.420 0.000 1.173 120 W CA -0.625 56.862 57.345 0.236 0.000 1.185 120 W CB 1.703 31.243 29.460 0.133 0.000 1.425 120 W HN 0.620 nan 8.180 nan 0.000 0.536 121 A N 2.589 124.851 122.820 -0.929 0.000 2.589 121 A HA 0.667 4.986 4.320 -0.000 0.000 0.296 121 A C -1.623 175.343 177.584 -1.031 0.000 1.062 121 A CA -0.448 51.073 52.037 -0.860 0.000 0.686 121 A CB 1.678 20.614 19.000 -0.107 0.000 1.282 121 A HN 0.923 nan 8.150 nan 0.000 0.404 122 S N 0.729 115.984 115.700 -0.741 0.000 2.620 122 S HA 0.340 4.810 4.470 -0.000 0.000 0.244 122 S C -0.069 174.479 174.600 -0.085 0.000 1.192 122 S CA -0.233 57.782 58.200 -0.308 0.000 1.148 122 S CB 0.984 64.131 63.200 -0.089 0.000 1.106 122 S HN 0.698 nan 8.310 nan 0.000 0.474 123 D N 2.789 123.183 120.400 -0.010 0.000 2.218 123 D HA -0.126 4.513 4.640 -0.000 0.000 0.204 123 D C 1.604 178.017 176.300 0.189 0.000 0.976 123 D CA 1.288 55.357 54.000 0.115 0.000 0.853 123 D CB 0.295 41.207 40.800 0.187 0.000 0.939 123 D HN 0.652 nan 8.370 nan 0.000 0.481 124 Q N 0.073 119.956 119.800 0.139 0.000 2.230 124 Q HA -0.011 4.329 4.340 -0.000 0.000 0.202 124 Q C 1.177 177.355 176.000 0.296 0.000 0.963 124 Q CA 1.233 57.141 55.803 0.174 0.000 0.866 124 Q CB 0.044 28.851 28.738 0.115 0.000 0.931 124 Q HN 0.360 nan 8.270 nan 0.000 0.452 125 Q N -1.776 118.152 119.800 0.213 0.000 2.172 125 Q HA 0.246 4.585 4.340 -0.000 0.000 0.217 125 Q C -0.108 175.979 176.000 0.146 0.000 0.832 125 Q CA 0.106 56.019 55.803 0.185 0.000 1.010 125 Q CB 0.475 29.330 28.738 0.195 0.000 1.133 125 Q HN 0.290 nan 8.270 nan 0.000 0.489 126 C N 1.357 120.762 119.300 0.175 0.000 4.056 126 C HA -0.164 4.295 4.460 -0.000 0.000 0.298 126 C C 0.868 175.943 174.990 0.141 0.000 1.456 126 C CA 0.631 59.734 59.018 0.142 0.000 2.037 126 C CB -2.540 25.234 27.740 0.056 0.000 1.295 126 C HN 0.616 nan 8.230 nan 0.000 0.733 127 A N 0.211 123.091 122.820 0.101 0.000 2.454 127 A HA 0.942 5.262 4.320 -0.000 0.000 0.302 127 A C -0.466 177.101 177.584 -0.029 0.000 1.079 127 A CA -0.206 51.895 52.037 0.107 0.000 0.731 127 A CB 1.653 20.751 19.000 0.164 0.000 1.299 127 A HN 1.343 nan 8.150 nan 0.000 0.413 128 W N 0.550 121.852 121.300 0.004 0.000 3.118 128 W HA 0.731 5.390 4.660 -0.001 0.000 0.328 128 W C -1.349 175.441 176.519 0.450 0.000 1.239 128 W CA -0.220 57.123 57.345 -0.004 0.000 1.176 128 W CB 0.812 30.269 29.460 -0.005 0.000 1.433 128 W HN 1.195 nan 8.180 nan 0.000 0.562 129 T N -0.643 114.307 114.554 0.659 0.000 2.916 129 T HA 0.785 5.135 4.350 -0.000 0.000 0.305 129 T C -1.222 173.898 174.700 0.700 0.000 1.119 129 T CA -0.554 61.848 62.100 0.504 0.000 1.008 129 T CB 1.778 70.974 68.868 0.547 0.000 1.129 129 T HN 1.159 nan 8.240 nan 0.000 0.480 130 A N 0.815 123.981 122.820 0.577 0.000 2.393 130 A HA 1.016 5.336 4.320 -0.000 0.000 0.306 130 A C 0.040 177.806 177.584 0.303 0.000 1.050 130 A CA -0.396 51.999 52.037 0.597 0.000 0.724 130 A CB 1.568 21.161 19.000 0.989 0.000 1.248 130 A HN 1.599 nan 8.150 nan 0.000 0.424 131 G N -0.054 108.826 108.800 0.134 0.000 2.727 131 G HA2 0.662 4.622 3.960 -0.000 0.000 0.289 131 G HA3 0.662 4.622 3.960 -0.000 0.000 0.289 131 G C -1.695 173.134 174.900 -0.118 0.000 1.418 131 G CA -0.651 44.436 45.100 -0.021 0.000 0.818 131 G HN 0.777 nan 8.290 nan 0.000 0.486 132 L N -0.075 121.059 121.223 -0.147 0.000 2.431 132 L HA 0.802 5.141 4.340 -0.000 0.000 0.266 132 L C -1.044 175.742 176.870 -0.140 0.000 0.978 132 L CA -1.130 53.617 54.840 -0.155 0.000 0.822 132 L CB 2.196 44.157 42.059 -0.163 0.000 1.310 132 L HN 0.517 nan 8.230 nan 0.000 0.409 133 V N 2.808 122.644 119.914 -0.130 0.000 2.969 133 V HA 0.369 4.488 4.120 -0.000 0.000 0.304 133 V C -1.247 174.821 176.094 -0.043 0.000 1.192 133 V CA -0.674 61.573 62.300 -0.089 0.000 0.962 133 V CB 2.568 34.325 31.823 -0.110 0.000 1.045 133 V HN 0.801 nan 8.190 nan 0.000 0.428 134 K N 5.250 125.650 120.400 -0.001 0.000 2.262 134 K HA 0.606 4.925 4.320 -0.000 0.000 0.282 134 K C -0.905 175.732 176.600 0.062 0.000 1.066 134 K CA -0.472 55.830 56.287 0.026 0.000 0.901 134 K CB 1.471 33.989 32.500 0.029 0.000 1.089 134 K HN 0.613 nan 8.250 nan 0.000 0.476 135 V N 6.807 126.753 119.914 0.052 0.000 2.485 135 V HA 0.128 4.248 4.120 -0.000 0.000 0.287 135 V C 0.261 176.390 176.094 0.059 0.000 1.022 135 V CA 0.173 62.517 62.300 0.072 0.000 1.067 135 V CB 0.066 31.924 31.823 0.058 0.000 0.967 135 V HN 0.688 nan 8.190 nan 0.000 0.479 136 I N 7.702 128.329 120.570 0.096 0.000 2.478 136 I HA 0.326 4.496 4.170 -0.000 0.000 0.287 136 I C -1.264 174.838 176.117 -0.025 0.000 1.042 136 I CA -1.835 59.468 61.300 0.006 0.000 1.067 136 I CB 2.793 40.770 38.000 -0.039 0.000 1.233 136 I HN 0.413 nan 8.210 nan 0.000 0.431 137 P HA -0.259 nan 4.420 nan 0.000 0.219 137 P C 0.865 178.123 177.300 -0.071 0.000 1.153 137 P CA 1.587 64.660 63.100 -0.044 0.000 0.865 137 P CB 0.294 31.962 31.700 -0.052 0.000 0.788 138 Q N -1.931 117.752 119.800 -0.196 0.000 2.482 138 Q HA 0.111 4.450 4.340 -0.000 0.000 0.209 138 Q C 1.421 177.307 176.000 -0.190 0.000 0.961 138 Q CA 0.686 56.338 55.803 -0.251 0.000 0.945 138 Q CB -0.650 27.845 28.738 -0.405 0.000 1.012 138 Q HN 0.420 nan 8.270 nan 0.000 0.515 139 F N -0.888 119.067 119.950 0.008 0.000 2.682 139 F HA 0.249 4.776 4.527 -0.001 0.000 0.308 139 F C 0.122 175.936 175.800 0.023 0.000 1.093 139 F CA -0.571 57.438 58.000 0.015 0.000 1.244 139 F CB 0.831 39.840 39.000 0.016 0.000 1.052 139 F HN -0.073 nan 8.300 nan 0.000 0.573 140 L N -0.119 121.210 121.223 0.177 0.000 2.343 140 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 140 L C 0.878 177.799 176.870 0.085 0.000 1.056 140 L CA -0.631 54.280 54.840 0.118 0.000 0.804 140 L CB 0.915 43.024 42.059 0.082 0.000 1.203 140 L HN -0.013 nan 8.230 nan 0.000 0.440 141 G N 0.781 109.623 108.800 0.070 0.000 2.574 141 G HA2 0.364 4.324 3.960 -0.000 0.000 0.248 141 G HA3 0.364 4.324 3.960 -0.000 0.000 0.248 141 G C -0.268 174.653 174.900 0.036 0.000 1.422 141 G CA -0.381 44.748 45.100 0.048 0.000 1.051 141 G HN 0.516 nan 8.290 nan 0.000 0.560 142 T N 0.326 114.896 114.554 0.027 0.000 2.856 142 T HA 0.466 4.815 4.350 -0.000 0.000 0.306 142 T C 0.561 175.275 174.700 0.024 0.000 1.062 142 T CA 0.412 62.525 62.100 0.021 0.000 1.083 142 T CB 1.116 69.993 68.868 0.015 0.000 0.984 142 T HN 0.781 nan 8.240 nan 0.000 0.542 143 A N 2.521 125.353 122.820 0.021 0.000 2.295 143 A HA 0.615 4.935 4.320 -0.000 0.000 0.318 143 A C 0.557 178.153 177.584 0.021 0.000 1.134 143 A CA -0.939 51.112 52.037 0.024 0.000 0.827 143 A CB 0.392 19.405 19.000 0.022 0.000 1.136 143 A HN 0.895 nan 8.150 nan 0.000 0.493 144 N N 0.458 119.172 118.700 0.023 0.000 2.566 144 N HA 0.162 4.901 4.740 -0.000 0.000 0.299 144 N C 0.690 176.211 175.510 0.019 0.000 1.277 144 N CA -0.593 52.470 53.050 0.021 0.000 0.965 144 N CB 0.380 38.881 38.487 0.024 0.000 1.142 144 N HN 0.634 nan 8.380 nan 0.000 0.596 145 R N -1.260 119.251 120.500 0.018 0.000 2.211 145 R HA -0.156 4.183 4.340 -0.000 0.000 0.240 145 R C -0.171 176.139 176.300 0.017 0.000 1.144 145 R CA 1.594 57.703 56.100 0.016 0.000 0.992 145 R CB -0.172 30.136 30.300 0.014 0.000 0.869 145 R HN 0.633 nan 8.270 nan 0.000 0.462 146 D N -0.692 119.721 120.400 0.021 0.000 2.501 146 D HA 0.112 4.752 4.640 -0.000 0.000 0.226 146 D C -0.031 176.283 176.300 0.023 0.000 1.198 146 D CA -0.049 53.964 54.000 0.022 0.000 0.830 146 D CB 0.202 41.018 40.800 0.025 0.000 1.014 146 D HN 0.177 nan 8.370 nan 0.000 0.496 147 L N -0.771 120.466 121.223 0.022 0.000 4.040 147 L HA -0.287 4.053 4.340 -0.000 0.000 0.410 147 L C -0.050 176.839 176.870 0.031 0.000 1.187 147 L CA 0.781 55.635 54.840 0.023 0.000 0.956 147 L CB -1.555 40.516 42.059 0.020 0.000 2.022 147 L HN 0.173 nan 8.230 nan 0.000 0.897 148 K N 0.582 121.004 120.400 0.036 0.000 2.110 148 K HA 0.756 5.075 4.320 -0.000 0.000 0.263 148 K C 0.136 176.765 176.600 0.048 0.000 0.975 148 K CA -0.729 55.586 56.287 0.047 0.000 0.895 148 K CB 1.669 34.202 32.500 0.055 0.000 1.060 148 K HN 0.113 nan 8.250 nan 0.000 0.448 149 R N 1.072 121.607 120.500 0.059 0.000 2.837 149 R HA 0.431 4.771 4.340 -0.000 0.000 0.271 149 R C -0.493 175.854 176.300 0.078 0.000 0.993 149 R CA -0.961 55.175 56.100 0.060 0.000 0.931 149 R CB 1.970 32.304 30.300 0.057 0.000 1.206 149 R HN 0.405 nan 8.270 nan 0.000 0.474 150 R N 1.033 121.575 120.500 0.069 0.000 2.598 150 R HA 0.412 4.752 4.340 -0.000 0.000 0.279 150 R C -0.227 176.130 176.300 0.095 0.000 0.984 150 R CA -0.877 55.270 56.100 0.080 0.000 0.999 150 R CB 0.991 31.310 30.300 0.031 0.000 1.114 150 R HN 0.322 nan 8.270 nan 0.000 0.493 151 L N 1.318 122.618 121.223 0.128 0.000 2.467 151 L HA 0.086 4.426 4.340 -0.000 0.000 0.270 151 L C 1.170 178.085 176.870 0.075 0.000 1.205 151 L CA 0.115 55.031 54.840 0.126 0.000 0.828 151 L CB 0.430 42.582 42.059 0.155 0.000 1.101 151 L HN 0.764 nan 8.230 nan 0.000 0.479 152 T N -1.379 113.223 114.554 0.080 0.000 2.847 152 T HA 0.267 4.617 4.350 -0.000 0.000 0.279 152 T C -1.887 172.812 174.700 -0.002 0.000 0.984 152 T CA -1.823 60.308 62.100 0.051 0.000 0.988 152 T CB 1.289 70.216 68.868 0.099 0.000 1.040 152 T HN 0.333 nan 8.240 nan 0.000 0.528 153 P HA -0.135 nan 4.420 nan 0.000 0.217 153 P C 1.338 178.594 177.300 -0.074 0.000 1.151 153 P CA 1.202 64.277 63.100 -0.041 0.000 0.849 153 P CB 0.118 31.801 31.700 -0.028 0.000 0.787 154 E N -1.016 119.137 120.200 -0.078 0.000 2.158 154 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 154 E C 2.156 178.480 176.600 -0.461 0.000 0.982 154 E CA 0.841 57.132 56.400 -0.182 0.000 0.823 154 E CB -0.710 28.955 29.700 -0.057 0.000 0.766 154 E HN 0.143 nan 8.360 nan 0.000 0.468 155 G N 0.907 109.476 108.800 -0.386 0.000 2.443 155 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 155 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 155 G C 1.573 176.323 174.900 -0.249 0.000 1.131 155 G CA 0.296 45.111 45.100 -0.475 0.000 0.775 155 G HN 0.147 nan 8.290 nan 0.000 0.547 156 R N 0.397 120.824 120.500 -0.122 0.000 2.090 156 R HA 0.124 4.464 4.340 -0.000 0.000 0.228 156 R C 2.907 179.167 176.300 -0.067 0.000 1.110 156 R CA 0.925 57.014 56.100 -0.019 0.000 0.973 156 R CB -0.295 30.002 30.300 -0.006 0.000 0.869 156 R HN 0.309 nan 8.270 nan 0.000 0.440 157 A N 1.078 123.818 122.820 -0.133 0.000 2.121 157 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 157 A C 1.684 179.183 177.584 -0.143 0.000 1.154 157 A CA 0.967 52.931 52.037 -0.122 0.000 0.679 157 A CB -0.040 18.885 19.000 -0.125 0.000 0.795 157 A HN 0.172 nan 8.150 nan 0.000 0.458 158 Q N -0.195 119.474 119.800 -0.220 0.000 2.444 158 Q HA 0.110 4.449 4.340 -0.000 0.000 0.206 158 Q C -0.001 175.931 176.000 -0.113 0.000 0.948 158 Q CA 0.179 55.864 55.803 -0.195 0.000 0.946 158 Q CB -0.162 28.379 28.738 -0.328 0.000 1.027 158 Q HN 0.420 nan 8.270 nan 0.000 0.513 159 V N 1.658 121.519 119.914 -0.089 0.000 2.488 159 V HA 0.079 4.199 4.120 -0.000 0.000 0.277 159 V C 0.419 176.478 176.094 -0.058 0.000 1.046 159 V CA -0.334 61.925 62.300 -0.069 0.000 0.986 159 V CB 1.421 33.228 31.823 -0.028 0.000 0.989 159 V HN -0.132 nan 8.190 nan 0.000 0.475 160 V N 6.438 126.308 119.914 -0.074 0.000 2.372 160 V HA 0.181 4.301 4.120 -0.000 0.000 0.261 160 V C 0.632 176.688 176.094 -0.064 0.000 1.055 160 V CA -0.750 61.507 62.300 -0.071 0.000 0.930 160 V CB 0.285 32.049 31.823 -0.099 0.000 1.031 160 V HN 0.814 nan 8.190 nan 0.000 0.479 161 K N 5.471 125.857 120.400 -0.023 0.000 2.451 161 K HA 0.321 4.640 4.320 -0.000 0.000 0.280 161 K C -0.498 176.105 176.600 0.005 0.000 1.020 161 K CA 0.027 56.323 56.287 0.016 0.000 1.008 161 K CB 0.572 33.091 32.500 0.031 0.000 0.917 161 K HN 0.510 nan 8.250 nan 0.000 0.478 162 L N 2.421 123.655 121.223 0.018 0.000 2.344 162 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 162 L C -0.004 176.995 176.870 0.215 0.000 1.035 162 L CA -0.935 53.847 54.840 -0.096 0.000 0.807 162 L CB 0.756 42.507 42.059 -0.512 0.000 1.237 162 L HN 0.723 nan 8.230 nan 0.000 0.442 163 W N 0.635 122.202 121.300 0.445 0.000 6.550 163 W HA -0.135 4.524 4.660 -0.001 0.000 0.429 163 W C -2.304 174.317 176.519 0.170 0.000 1.764 163 W CA -1.095 56.393 57.345 0.238 0.000 1.058 163 W CB -1.995 27.660 29.460 0.325 0.000 2.943 163 W HN 0.277 nan 8.180 nan 0.000 1.385 164 P HA 0.032 nan 4.420 nan 0.000 0.272 164 P C 0.584 177.877 177.300 -0.013 0.000 1.230 164 P CA 0.540 63.666 63.100 0.043 0.000 0.788 164 P CB 0.442 32.157 31.700 0.026 0.000 0.949 165 D N -1.117 119.202 120.400 -0.136 0.000 2.704 165 D HA -0.238 4.402 4.640 -0.000 0.000 0.232 165 D C -0.451 175.808 176.300 -0.068 0.000 1.183 165 D CA 0.684 54.608 54.000 -0.128 0.000 0.647 165 D CB -2.059 38.714 40.800 -0.046 0.000 1.013 165 D HN 0.612 nan 8.370 nan 0.000 0.415 166 H N -1.821 117.242 119.070 -0.013 0.000 2.508 166 H HA 0.668 5.224 4.556 -0.001 0.000 0.344 166 H C 1.083 176.417 175.328 0.010 0.000 1.192 166 H CA -0.343 55.716 56.048 0.018 0.000 1.290 166 H CB 0.630 30.416 29.762 0.040 0.000 1.571 166 H HN 0.152 nan 8.280 nan 0.000 0.555 167 G N 1.365 110.352 108.800 0.311 0.000 2.554 167 G HA2 0.163 4.123 3.960 -0.000 0.000 0.238 167 G HA3 0.163 4.123 3.960 -0.000 0.000 0.238 167 G C -0.162 174.947 174.900 0.348 0.000 1.259 167 G CA -0.879 44.367 45.100 0.244 0.000 0.843 167 G HN 0.849 nan 8.290 nan 0.000 0.582 168 K N 0.863 121.396 120.400 0.222 0.000 2.286 168 K HA 0.096 4.416 4.320 -0.000 0.000 0.256 168 K C 0.084 176.857 176.600 0.288 0.000 0.999 168 K CA -0.756 55.669 56.287 0.230 0.000 0.908 168 K CB 0.539 33.115 32.500 0.126 0.000 0.981 168 K HN 0.249 nan 8.250 nan 0.000 0.500 169 L N 1.074 122.481 121.223 0.308 0.000 2.426 169 L HA 0.008 4.348 4.340 -0.000 0.000 0.271 169 L C 0.619 177.557 176.870 0.114 0.000 1.169 169 L CA 0.365 55.337 54.840 0.220 0.000 0.836 169 L CB 0.517 42.693 42.059 0.194 0.000 1.112 169 L HN 0.708 nan 8.230 nan 0.000 0.465 170 Q N 3.756 123.587 119.800 0.052 0.000 2.262 170 Q HA -0.064 4.276 4.340 -0.000 0.000 0.298 170 Q C -0.108 175.936 176.000 0.074 0.000 1.083 170 Q CA 0.322 56.151 55.803 0.043 0.000 0.962 170 Q CB 0.316 29.056 28.738 0.003 0.000 1.104 170 Q HN 0.662 nan 8.270 nan 0.000 0.376 171 E N 3.842 124.094 120.200 0.087 0.000 2.465 171 E HA -0.147 4.203 4.350 -0.000 0.000 0.260 171 E C -0.554 176.149 176.600 0.172 0.000 0.980 171 E CA -0.153 56.331 56.400 0.140 0.000 0.927 171 E CB 0.491 30.253 29.700 0.104 0.000 0.934 171 E HN 0.542 nan 8.360 nan 0.000 0.459 172 N N 5.536 124.389 118.700 0.254 0.000 2.469 172 N HA -0.026 4.714 4.740 -0.000 0.000 0.239 172 N C 0.676 176.307 175.510 0.202 0.000 1.053 172 N CA -0.247 52.933 53.050 0.218 0.000 0.937 172 N CB 0.714 39.345 38.487 0.240 0.000 1.163 172 N HN 0.607 nan 8.380 nan 0.000 0.509 173 L N 5.534 126.840 121.223 0.138 0.000 1.951 173 L HA -0.206 4.134 4.340 -0.000 0.000 0.222 173 L C 1.844 178.732 176.870 0.029 0.000 1.078 173 L CA 1.897 56.792 54.840 0.091 0.000 0.778 173 L CB -0.845 41.240 42.059 0.043 0.000 0.893 173 L HN 0.674 nan 8.230 nan 0.000 0.436 174 L N -1.033 120.167 121.223 -0.040 0.000 2.137 174 L HA -0.236 4.103 4.340 -0.000 0.000 0.213 174 L C 2.401 179.132 176.870 -0.233 0.000 1.085 174 L CA 1.166 55.873 54.840 -0.222 0.000 0.760 174 L CB -0.683 41.154 42.059 -0.371 0.000 0.893 174 L HN 0.434 nan 8.230 nan 0.000 0.434 175 L N -1.567 119.636 121.223 -0.033 0.000 2.478 175 L HA -0.065 4.274 4.340 -0.000 0.000 0.223 175 L C 1.634 178.324 176.870 -0.301 0.000 1.140 175 L CA 1.551 56.366 54.840 -0.042 0.000 0.842 175 L CB -0.500 41.530 42.059 -0.049 0.000 0.953 175 L HN 0.243 nan 8.230 nan 0.000 0.452 176 H N -0.352 118.762 119.070 0.073 0.000 2.662 176 H HA 0.375 4.931 4.556 0.000 0.000 0.268 176 H C 0.179 175.522 175.328 0.025 0.000 1.152 176 H CA -0.149 55.933 56.048 0.057 0.000 1.072 176 H CB 0.149 29.948 29.762 0.062 0.000 1.660 176 H HN 0.332 nan 8.280 nan 0.000 0.584 177 I N -1.097 119.513 120.570 0.066 0.000 2.676 177 I HA 0.505 4.675 4.170 -0.000 0.000 0.309 177 I C -2.383 173.743 176.117 0.016 0.000 0.990 177 I CA -2.572 58.742 61.300 0.024 0.000 1.168 177 I CB 0.880 38.856 38.000 -0.040 0.000 1.343 177 I HN -0.282 nan 8.210 nan 0.000 0.482 178 P HA 0.019 nan 4.420 nan 0.000 0.263 178 P C 0.893 178.194 177.300 0.002 0.000 1.175 178 P CA 0.330 63.439 63.100 0.015 0.000 0.761 178 P CB 0.709 32.414 31.700 0.007 0.000 0.794 179 G N 3.121 111.933 108.800 0.021 0.000 2.422 179 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 179 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 179 G C 1.140 176.048 174.900 0.014 0.000 1.146 179 G CA 0.750 45.866 45.100 0.026 0.000 0.769 179 G HN 0.629 nan 8.290 nan 0.000 0.547 180 D N 0.824 121.229 120.400 0.009 0.000 2.123 180 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 180 D C 2.435 178.726 176.300 -0.016 0.000 0.992 180 D CA 1.307 55.309 54.000 0.003 0.000 0.833 180 D CB -0.711 40.091 40.800 0.003 0.000 0.954 180 D HN 0.265 nan 8.370 nan 0.000 0.455 181 V N 0.891 120.787 119.914 -0.031 0.000 2.453 181 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 181 V C 2.881 178.916 176.094 -0.099 0.000 1.048 181 V CA 1.588 63.851 62.300 -0.063 0.000 1.049 181 V CB -0.732 31.051 31.823 -0.067 0.000 0.672 181 V HN 0.186 nan 8.190 nan 0.000 0.457 182 R N 0.335 120.782 120.500 -0.089 0.000 2.070 182 R HA -0.187 4.153 4.340 -0.000 0.000 0.233 182 R C 2.061 178.346 176.300 -0.024 0.000 1.137 182 R CA 2.141 58.166 56.100 -0.125 0.000 0.945 182 R CB -0.411 29.810 30.300 -0.132 0.000 0.845 182 R HN 0.462 nan 8.270 nan 0.000 0.430 183 D N 0.465 120.883 120.400 0.029 0.000 2.158 183 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 183 D C 2.059 178.379 176.300 0.034 0.000 0.995 183 D CA 1.103 55.148 54.000 0.075 0.000 0.846 183 D CB -0.202 40.627 40.800 0.048 0.000 0.941 183 D HN 0.312 nan 8.370 nan 0.000 0.456 184 Q N 0.129 119.912 119.800 -0.030 0.000 2.084 184 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 184 Q C 2.660 178.592 176.000 -0.113 0.000 0.978 184 Q CA 0.620 56.387 55.803 -0.060 0.000 0.844 184 Q CB -0.342 28.354 28.738 -0.070 0.000 0.898 184 Q HN 0.444 nan 8.270 nan 0.000 0.426 185 I N -0.307 120.134 120.570 -0.215 0.000 2.226 185 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 185 I C 1.933 177.806 176.117 -0.406 0.000 1.100 185 I CA 1.283 62.352 61.300 -0.384 0.000 1.374 185 I CB -0.321 37.295 38.000 -0.640 0.000 1.057 185 I HN 0.049 nan 8.210 nan 0.000 0.413 186 F N 0.544 120.414 119.950 -0.133 0.000 2.416 186 F HA -0.107 4.420 4.527 -0.000 0.000 0.296 186 F C 2.734 178.497 175.800 -0.062 0.000 1.099 186 F CA 1.013 58.958 58.000 -0.091 0.000 1.427 186 F CB -0.242 38.710 39.000 -0.079 0.000 1.079 186 F HN 0.071 nan 8.300 nan 0.000 0.536 187 S N 0.018 115.771 115.700 0.089 0.000 2.501 187 S HA 0.291 4.761 4.470 -0.000 0.000 0.220 187 S C 1.173 175.745 174.600 -0.046 0.000 0.997 187 S CA -0.011 58.201 58.200 0.020 0.000 0.919 187 S CB -0.666 62.541 63.200 0.011 0.000 0.778 187 S HN 0.131 nan 8.310 nan 0.000 0.523 188 A N 1.958 124.748 122.820 -0.050 0.000 2.587 188 A HA 0.312 4.632 4.320 -0.000 0.000 0.235 188 A C 0.285 177.824 177.584 -0.076 0.000 1.044 188 A CA 0.349 52.350 52.037 -0.061 0.000 0.754 188 A CB -0.008 18.951 19.000 -0.069 0.000 0.968 188 A HN 0.571 nan 8.150 nan 0.000 0.509 189 K N 0.901 121.254 120.400 -0.079 0.000 2.477 189 K HA 0.507 4.827 4.320 -0.000 0.000 0.255 189 K C -0.265 176.398 176.600 0.106 0.000 0.952 189 K CA -0.507 55.725 56.287 -0.090 0.000 0.826 189 K CB 2.105 34.372 32.500 -0.387 0.000 1.331 189 K HN 0.828 nan 8.250 nan 0.000 0.437 190 S N -0.130 115.758 115.700 0.313 0.000 2.601 190 S HA 0.042 4.511 4.470 -0.000 0.000 0.271 190 S C 1.226 175.905 174.600 0.132 0.000 1.305 190 S CA 0.053 58.351 58.200 0.163 0.000 1.022 190 S CB 1.370 64.642 63.200 0.119 0.000 0.940 190 S HN 0.698 nan 8.310 nan 0.000 0.525 191 S N 2.132 117.876 115.700 0.073 0.000 2.440 191 S HA -0.045 4.425 4.470 -0.000 0.000 0.238 191 S C 0.744 175.378 174.600 0.057 0.000 1.010 191 S CA 0.469 58.702 58.200 0.055 0.000 0.972 191 S CB -0.433 62.787 63.200 0.035 0.000 0.774 191 S HN 0.869 nan 8.310 nan 0.000 0.501 192 R N -0.545 119.989 120.500 0.057 0.000 2.698 192 R HA 0.551 4.890 4.340 -0.000 0.000 0.275 192 R C -0.046 176.269 176.300 0.026 0.000 1.001 192 R CA 0.277 56.402 56.100 0.041 0.000 0.896 192 R CB 1.394 31.708 30.300 0.024 0.000 1.218 192 R HN 0.488 nan 8.270 nan 0.000 0.462 193 G N 1.789 110.599 108.800 0.017 0.000 2.685 193 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.387 193 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.387 193 G C -0.578 174.294 174.900 -0.047 0.000 1.324 193 G CA -0.212 44.874 45.100 -0.023 0.000 0.878 193 G HN 0.647 nan 8.290 nan 0.000 0.527 194 N N 0.298 118.924 118.700 -0.124 0.000 2.177 194 N HA 0.089 4.829 4.740 -0.000 0.000 0.218 194 N C 0.034 175.267 175.510 -0.462 0.000 1.182 194 N CA 0.201 53.149 53.050 -0.169 0.000 0.882 194 N CB 0.926 39.395 38.487 -0.030 0.000 1.052 194 N HN 0.650 nan 8.380 nan 0.000 0.519 195 Q N 0.766 120.261 119.800 -0.509 0.000 2.400 195 Q HA 0.250 4.590 4.340 -0.000 0.000 0.255 195 Q C -0.311 175.375 176.000 -0.524 0.000 1.008 195 Q CA -0.252 55.306 55.803 -0.408 0.000 0.841 195 Q CB 0.881 29.516 28.738 -0.173 0.000 1.220 195 Q HN 0.244 nan 8.270 nan 0.000 0.474 196 H N 1.882 120.965 119.070 0.023 0.000 2.488 196 H HA 0.119 4.676 4.556 0.001 0.000 0.294 196 H C 1.395 176.732 175.328 0.014 0.000 1.088 196 H CA 0.174 56.233 56.048 0.017 0.000 1.086 196 H CB 0.432 30.206 29.762 0.020 0.000 1.569 196 H HN 0.817 nan 8.280 nan 0.000 0.548 197 G N 1.088 109.918 108.800 0.051 0.000 2.484 197 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.215 197 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.215 197 G C 1.614 176.533 174.900 0.032 0.000 1.219 197 G CA 0.579 45.708 45.100 0.048 0.000 0.791 197 G HN 0.284 nan 8.290 nan 0.000 0.550 198 Q N 0.722 120.540 119.800 0.030 0.000 2.135 198 Q HA 0.016 4.355 4.340 -0.000 0.000 0.204 198 Q C 2.622 178.634 176.000 0.020 0.000 0.981 198 Q CA 2.030 57.850 55.803 0.029 0.000 0.856 198 Q CB -0.633 28.123 28.738 0.030 0.000 0.902 198 Q HN 0.407 nan 8.270 nan 0.000 0.425 199 A N 0.324 123.166 122.820 0.036 0.000 1.877 199 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 199 A C 2.093 179.664 177.584 -0.022 0.000 1.186 199 A CA 1.582 53.638 52.037 0.031 0.000 0.620 199 A CB -0.487 18.565 19.000 0.086 0.000 0.822 199 A HN 0.401 nan 8.150 nan 0.000 0.443 200 R N -0.664 119.817 120.500 -0.033 0.000 2.096 200 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 200 R C 1.999 178.169 176.300 -0.217 0.000 1.127 200 R CA 1.388 57.407 56.100 -0.135 0.000 0.968 200 R CB -0.509 29.713 30.300 -0.129 0.000 0.861 200 R HN 0.418 nan 8.270 nan 0.000 0.440 201 V N 1.833 121.649 119.914 -0.162 0.000 2.358 201 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 201 V C 1.655 177.625 176.094 -0.207 0.000 1.047 201 V CA 1.675 63.832 62.300 -0.239 0.000 1.035 201 V CB -0.525 31.230 31.823 -0.113 0.000 0.658 201 V HN 0.321 nan 8.190 nan 0.000 0.452 202 N N 0.312 118.976 118.700 -0.060 0.000 2.104 202 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 202 N C 1.886 177.372 175.510 -0.040 0.000 1.024 202 N CA 1.475 54.535 53.050 0.016 0.000 0.853 202 N CB -0.347 38.156 38.487 0.026 0.000 1.008 202 N HN 0.491 nan 8.380 nan 0.000 0.424 203 E N 0.723 120.855 120.200 -0.113 0.000 2.150 203 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 203 E C 1.818 178.286 176.600 -0.219 0.000 0.985 203 E CA 0.233 56.548 56.400 -0.142 0.000 0.814 203 E CB -0.356 29.248 29.700 -0.160 0.000 0.752 203 E HN 0.260 nan 8.360 nan 0.000 0.466 204 L N -0.470 120.550 121.223 -0.339 0.000 2.042 204 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 204 L C 1.865 178.524 176.870 -0.353 0.000 1.076 204 L CA 1.792 56.357 54.840 -0.458 0.000 0.749 204 L CB -0.505 41.134 42.059 -0.700 0.000 0.893 204 L HN 0.201 nan 8.230 nan 0.000 0.432 205 F N -1.186 118.677 119.950 -0.144 0.000 2.780 205 F HA 0.056 4.583 4.527 0.001 0.000 0.299 205 F C 2.309 178.005 175.800 -0.173 0.000 1.146 205 F CA -0.109 57.815 58.000 -0.127 0.000 1.428 205 F CB -0.001 38.972 39.000 -0.045 0.000 1.115 205 F HN 0.024 nan 8.300 nan 0.000 0.583 206 R N -0.292 120.187 120.500 -0.035 0.000 2.128 206 R HA 0.096 4.436 4.340 -0.000 0.000 0.211 206 R C 1.830 177.975 176.300 -0.258 0.000 1.067 206 R CA 0.347 56.412 56.100 -0.059 0.000 1.010 206 R CB 0.116 30.410 30.300 -0.009 0.000 0.922 206 R HN 0.030 nan 8.270 nan 0.000 0.457 207 R N 0.137 120.487 120.500 -0.250 0.000 2.300 207 R HA 0.198 4.538 4.340 -0.000 0.000 0.199 207 R C -0.105 176.035 176.300 -0.267 0.000 0.920 207 R CA 0.284 56.246 56.100 -0.231 0.000 1.046 207 R CB 0.732 30.935 30.300 -0.162 0.000 0.984 207 R HN -0.045 nan 8.270 nan 0.000 0.493 208 V N 3.120 122.830 119.914 -0.340 0.000 2.357 208 V HA 0.248 4.368 4.120 -0.000 0.000 0.281 208 V C -0.701 175.281 176.094 -0.186 0.000 1.015 208 V CA -0.706 61.474 62.300 -0.200 0.000 0.827 208 V CB 1.452 33.203 31.823 -0.121 0.000 1.018 208 V HN 0.178 nan 8.190 nan 0.000 0.432 209 H N 2.291 121.389 119.070 0.045 0.000 2.670 209 H HA 0.541 5.097 4.556 0.000 0.000 0.361 209 H C 1.106 176.453 175.328 0.033 0.000 1.169 209 H CA 0.042 56.116 56.048 0.043 0.000 1.198 209 H CB 2.121 31.901 29.762 0.030 0.000 1.700 209 H HN 0.752 nan 8.280 nan 0.000 0.542 210 G N 1.939 110.844 108.800 0.174 0.000 2.225 210 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.267 210 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.267 210 G C 0.114 175.060 174.900 0.077 0.000 1.024 210 G CA 0.330 45.487 45.100 0.095 0.000 0.784 210 G HN 0.549 nan 8.290 nan 0.000 0.507 211 R N -1.289 119.260 120.500 0.083 0.000 2.771 211 R HA 0.566 4.906 4.340 -0.000 0.000 0.274 211 R C -0.047 176.297 176.300 0.072 0.000 0.987 211 R CA -1.128 55.012 56.100 0.066 0.000 0.908 211 R CB 1.422 31.756 30.300 0.057 0.000 1.213 211 R HN 0.123 nan 8.270 nan 0.000 0.468 212 L N 3.513 124.773 121.223 0.062 0.000 2.360 212 L HA 0.341 4.681 4.340 -0.000 0.000 0.276 212 L C -0.141 176.774 176.870 0.076 0.000 1.121 212 L CA 0.095 54.975 54.840 0.067 0.000 0.845 212 L CB 0.362 42.453 42.059 0.054 0.000 1.143 212 L HN 0.398 nan 8.230 nan 0.000 0.452 213 I N 3.026 123.658 120.570 0.103 0.000 2.355 213 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 213 I C 0.694 176.878 176.117 0.112 0.000 0.999 213 I CA -0.261 61.107 61.300 0.113 0.000 1.163 213 I CB 1.690 39.806 38.000 0.193 0.000 1.316 213 I HN 0.596 nan 8.210 nan 0.000 0.454 214 G N 4.418 113.267 108.800 0.083 0.000 2.521 214 G HA2 0.392 4.352 3.960 -0.000 0.000 0.323 214 G HA3 0.392 4.352 3.960 -0.000 0.000 0.323 214 G C 0.659 175.616 174.900 0.095 0.000 1.211 214 G CA -0.538 44.611 45.100 0.083 0.000 0.979 214 G HN 0.639 nan 8.290 nan 0.000 0.490 215 R N 0.074 120.644 120.500 0.117 0.000 2.136 215 R HA -0.263 4.077 4.340 -0.000 0.000 0.242 215 R C 2.959 179.296 176.300 0.062 0.000 1.131 215 R CA 2.074 58.283 56.100 0.183 0.000 0.937 215 R CB -0.643 29.784 30.300 0.211 0.000 0.863 215 R HN 0.551 nan 8.270 nan 0.000 0.435 216 A N 0.620 123.451 122.820 0.019 0.000 1.903 216 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 216 A C 2.431 179.979 177.584 -0.060 0.000 1.191 216 A CA 2.065 54.079 52.037 -0.039 0.000 0.638 216 A CB -0.794 18.217 19.000 0.019 0.000 0.823 216 A HN 0.176 nan 8.150 nan 0.000 0.451 217 V N 0.070 119.975 119.914 -0.015 0.000 2.237 217 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 217 V C 2.438 178.477 176.094 -0.092 0.000 1.046 217 V CA 2.151 64.431 62.300 -0.034 0.000 1.007 217 V CB -0.725 31.080 31.823 -0.030 0.000 0.638 217 V HN 0.601 nan 8.190 nan 0.000 0.445 218 I N 0.410 120.945 120.570 -0.059 0.000 2.194 218 I HA -0.323 3.846 4.170 -0.000 0.000 0.246 218 I C 2.630 178.657 176.117 -0.149 0.000 1.093 218 I CA 1.668 62.946 61.300 -0.038 0.000 1.355 218 I CB -0.614 37.493 38.000 0.178 0.000 1.046 218 I HN 0.327 nan 8.210 nan 0.000 0.413 219 A N 0.288 122.806 122.820 -0.503 0.000 1.858 219 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 219 A C 2.385 179.750 177.584 -0.364 0.000 1.190 219 A CA 2.484 53.907 52.037 -1.023 0.000 0.617 219 A CB -1.195 16.869 19.000 -1.561 0.000 0.827 219 A HN 0.382 nan 8.150 nan 0.000 0.443 220 T N -0.410 114.032 114.554 -0.186 0.000 2.803 220 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 220 T C 1.811 176.577 174.700 0.109 0.000 1.052 220 T CA 1.665 63.775 62.100 0.017 0.000 1.136 220 T CB -0.316 68.627 68.868 0.125 0.000 0.864 220 T HN 0.173 nan 8.240 nan 0.000 0.467 221 V N 1.079 120.992 119.914 -0.003 0.000 2.331 221 V HA 0.038 4.157 4.120 -0.000 0.000 0.242 221 V C 2.828 178.909 176.094 -0.021 0.000 1.034 221 V CA 1.377 63.640 62.300 -0.061 0.000 1.027 221 V CB -1.050 30.606 31.823 -0.278 0.000 0.667 221 V HN 0.477 nan 8.190 nan 0.000 0.457 222 A N -1.296 121.512 122.820 -0.021 0.000 1.930 222 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 222 A C 1.490 179.119 177.584 0.075 0.000 1.175 222 A CA 1.232 53.299 52.037 0.049 0.000 0.627 222 A CB -0.493 18.595 19.000 0.147 0.000 0.815 222 A HN 0.648 nan 8.150 nan 0.000 0.443 223 Q N -0.805 119.025 119.800 0.050 0.000 2.443 223 Q HA -0.233 4.106 4.340 -0.000 0.000 0.337 223 Q C -0.353 175.703 176.000 0.092 0.000 1.401 223 Q CA 1.042 56.881 55.803 0.061 0.000 0.943 223 Q CB -1.257 27.529 28.738 0.080 0.000 1.177 223 Q HN 0.926 nan 8.270 nan 0.000 0.394 224 Q N -1.367 118.522 119.800 0.147 0.000 2.782 224 Q HA 0.478 4.818 4.340 -0.000 0.000 0.308 224 Q C -1.607 174.525 176.000 0.220 0.000 0.883 224 Q CA -1.218 54.673 55.803 0.147 0.000 0.755 224 Q CB 0.862 29.669 28.738 0.115 0.000 1.454 224 Q HN 0.052 nan 8.270 nan 0.000 0.452 225 D N 1.267 121.749 120.400 0.136 0.000 2.304 225 D HA 0.166 4.806 4.640 -0.000 0.000 0.250 225 D C -0.290 176.032 176.300 0.036 0.000 1.107 225 D CA 0.597 54.659 54.000 0.103 0.000 0.885 225 D CB 0.655 41.484 40.800 0.050 0.000 1.192 225 D HN 0.680 nan 8.370 nan 0.000 0.436 226 D N 1.202 121.545 120.400 -0.096 0.000 2.760 226 D HA -0.223 4.417 4.640 -0.000 0.000 0.244 226 D C 0.721 176.915 176.300 -0.176 0.000 1.123 226 D CA 0.136 53.995 54.000 -0.235 0.000 0.719 226 D CB -1.174 39.557 40.800 -0.115 0.000 1.045 226 D HN 0.422 nan 8.370 nan 0.000 0.426 227 F N -1.149 118.817 119.950 0.026 0.000 2.186 227 F HA -0.047 4.480 4.527 0.000 0.000 0.299 227 F C 2.357 178.181 175.800 0.040 0.000 1.090 227 F CA 0.305 58.322 58.000 0.029 0.000 1.307 227 F CB -0.683 38.334 39.000 0.029 0.000 1.019 227 F HN 0.070 nan 8.300 nan 0.000 0.489 228 M N 1.142 120.607 119.600 -0.225 0.000 2.195 228 M HA -0.175 4.304 4.480 -0.000 0.000 0.260 228 M C 2.191 178.494 176.300 0.005 0.000 1.066 228 M CA 1.383 56.661 55.300 -0.035 0.000 1.089 228 M CB -1.114 31.384 32.600 -0.170 0.000 1.377 228 M HN 0.223 nan 8.290 nan 0.000 0.411 229 K N 0.538 120.912 120.400 -0.044 0.000 2.209 229 K HA -0.118 4.201 4.320 -0.000 0.000 0.204 229 K C 1.677 178.300 176.600 0.039 0.000 1.048 229 K CA 0.863 57.145 56.287 -0.009 0.000 0.940 229 K CB -0.087 32.395 32.500 -0.029 0.000 0.729 229 K HN 0.247 nan 8.250 nan 0.000 0.451 230 R N 0.422 120.966 120.500 0.073 0.000 2.341 230 R HA -0.043 4.297 4.340 -0.000 0.000 0.213 230 R C 1.941 178.330 176.300 0.149 0.000 1.082 230 R CA 0.445 56.604 56.100 0.098 0.000 1.017 230 R CB -0.300 30.064 30.300 0.108 0.000 0.860 230 R HN 0.078 nan 8.270 nan 0.000 0.473 231 V N 0.202 120.215 119.914 0.166 0.000 2.795 231 V HA 0.003 4.122 4.120 -0.000 0.000 0.243 231 V C 1.490 177.618 176.094 0.057 0.000 1.069 231 V CA 0.602 63.026 62.300 0.207 0.000 1.089 231 V CB -0.075 31.890 31.823 0.237 0.000 0.756 231 V HN 0.196 nan 8.190 nan 0.000 0.471 232 R N 0.308 120.829 120.500 0.035 0.000 3.160 232 R HA 0.150 4.490 4.340 -0.000 0.000 0.266 232 R C 1.739 178.032 176.300 -0.012 0.000 1.167 232 R CA 0.475 56.573 56.100 -0.003 0.000 1.124 232 R CB -0.482 29.815 30.300 -0.004 0.000 1.034 232 R HN 0.328 nan 8.270 nan 0.000 0.536 233 G N -0.250 108.537 108.800 -0.023 0.000 2.770 233 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.212 233 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.212 233 G C 1.434 176.324 174.900 -0.016 0.000 1.357 233 G CA 0.949 46.034 45.100 -0.025 0.000 0.837 233 G HN 0.511 nan 8.290 nan 0.000 0.610 234 S N 0.189 115.881 115.700 -0.014 0.000 2.370 234 S HA -0.011 4.458 4.470 -0.000 0.000 0.226 234 S C 2.028 176.626 174.600 -0.003 0.000 1.033 234 S CA 1.928 60.122 58.200 -0.009 0.000 1.011 234 S CB -0.566 62.629 63.200 -0.010 0.000 0.852 234 S HN 0.630 nan 8.310 nan 0.000 0.457 235 G N -0.520 108.280 108.800 0.001 0.000 3.690 235 G HA2 0.578 4.538 3.960 -0.000 0.000 0.283 235 G HA3 0.578 4.538 3.960 -0.000 0.000 0.283 235 G C 0.155 175.066 174.900 0.019 0.000 1.057 235 G CA 0.224 45.329 45.100 0.008 0.000 0.821 235 G HN 0.678 nan 8.290 nan 0.000 0.526 236 G N -1.485 107.327 108.800 0.022 0.000 3.086 236 G HA2 0.537 4.497 3.960 -0.000 0.000 0.282 236 G HA3 0.537 4.497 3.960 -0.000 0.000 0.282 236 G C 1.106 176.034 174.900 0.047 0.000 1.343 236 G CA 0.348 45.474 45.100 0.043 0.000 0.895 236 G HN 0.340 nan 8.290 nan 0.000 0.557 237 A N -0.277 122.597 122.820 0.090 0.000 1.927 237 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 237 A C 2.388 179.978 177.584 0.011 0.000 1.185 237 A CA 2.070 54.167 52.037 0.100 0.000 0.639 237 A CB -0.550 18.607 19.000 0.263 0.000 0.820 237 A HN 0.563 nan 8.150 nan 0.000 0.451 238 R N -0.462 120.015 120.500 -0.038 0.000 2.113 238 R HA -0.143 4.196 4.340 -0.000 0.000 0.244 238 R C 2.554 178.825 176.300 -0.049 0.000 1.142 238 R CA 1.882 57.937 56.100 -0.075 0.000 0.953 238 R CB -0.664 29.587 30.300 -0.081 0.000 0.860 238 R HN 0.569 nan 8.270 nan 0.000 0.438 239 S N 0.743 116.427 115.700 -0.027 0.000 2.325 239 S HA -0.014 4.455 4.470 -0.000 0.000 0.214 239 S C 2.114 176.710 174.600 -0.007 0.000 1.031 239 S CA 0.748 58.936 58.200 -0.020 0.000 0.972 239 S CB -0.205 62.988 63.200 -0.012 0.000 0.908 239 S HN 0.177 nan 8.310 nan 0.000 0.453 240 I N 1.778 122.352 120.570 0.007 0.000 2.143 240 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 240 I C 1.824 177.952 176.117 0.018 0.000 1.068 240 I CA 1.423 62.733 61.300 0.017 0.000 1.326 240 I CB -0.429 37.589 38.000 0.030 0.000 1.028 240 I HN 0.238 nan 8.210 nan 0.000 0.412 241 L N -0.042 121.194 121.223 0.022 0.000 2.554 241 L HA -0.036 4.303 4.340 -0.000 0.000 0.226 241 L C 2.534 179.404 176.870 0.001 0.000 1.137 241 L CA 0.215 55.070 54.840 0.025 0.000 0.863 241 L CB -0.482 41.606 42.059 0.048 0.000 0.985 241 L HN 0.237 nan 8.230 nan 0.000 0.451 242 R N 1.489 121.978 120.500 -0.019 0.000 2.097 242 R HA -0.160 4.179 4.340 -0.000 0.000 0.236 242 R C -0.497 175.792 176.300 -0.019 0.000 1.135 242 R CA 1.943 58.020 56.100 -0.039 0.000 0.934 242 R CB -1.160 29.112 30.300 -0.047 0.000 0.846 242 R HN 0.192 nan 8.270 nan 0.000 0.431 243 P HA -0.164 nan 4.420 nan 0.000 0.221 243 P C -0.143 177.169 177.300 0.019 0.000 1.141 243 P CA 1.507 64.614 63.100 0.011 0.000 0.794 243 P CB -0.135 31.573 31.700 0.013 0.000 0.764 244 E N -1.203 119.008 120.200 0.019 0.000 2.479 244 E HA 0.217 4.567 4.350 -0.000 0.000 0.193 244 E C 1.136 177.752 176.600 0.026 0.000 1.049 244 E CA 0.271 56.689 56.400 0.029 0.000 0.870 244 E CB -0.325 29.399 29.700 0.040 0.000 0.944 244 E HN 0.209 nan 8.360 nan 0.000 0.492 245 G N 1.831 110.636 108.800 0.008 0.000 2.143 245 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 245 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 245 G C 0.135 175.002 174.900 -0.054 0.000 0.991 245 G CA -0.032 45.064 45.100 -0.006 0.000 0.689 245 G HN 0.234 nan 8.290 nan 0.000 0.522 246 I N 1.387 121.927 120.570 -0.049 0.000 2.412 246 I HA 0.617 4.786 4.170 -0.000 0.000 0.296 246 I C 0.831 176.882 176.117 -0.110 0.000 0.987 246 I CA -1.269 59.995 61.300 -0.060 0.000 1.180 246 I CB 1.426 39.452 38.000 0.044 0.000 1.340 246 I HN 0.268 nan 8.210 nan 0.000 0.455 247 I N 4.048 124.529 120.570 -0.148 0.000 2.693 247 I HA 0.631 4.800 4.170 -0.000 0.000 0.303 247 I C -1.004 175.003 176.117 -0.183 0.000 1.025 247 I CA -0.873 60.319 61.300 -0.180 0.000 1.086 247 I CB 2.341 40.210 38.000 -0.220 0.000 1.268 247 I HN 0.386 nan 8.210 nan 0.000 0.440 248 I N 5.276 125.717 120.570 -0.214 0.000 2.448 248 I HA 0.351 4.521 4.170 -0.000 0.000 0.281 248 I C -0.703 175.298 176.117 -0.193 0.000 1.027 248 I CA -0.461 60.676 61.300 -0.272 0.000 1.111 248 I CB 1.692 39.418 38.000 -0.458 0.000 1.236 248 I HN 0.427 nan 8.210 nan 0.000 0.452 249 L N 5.814 126.950 121.223 -0.146 0.000 2.319 249 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 249 L C 1.185 178.014 176.870 -0.070 0.000 1.099 249 L CA -0.080 54.699 54.840 -0.102 0.000 0.828 249 L CB 0.911 42.924 42.059 -0.076 0.000 1.150 249 L HN 0.707 nan 8.230 nan 0.000 0.442 250 G N 0.892 109.651 108.800 -0.068 0.000 2.735 250 G HA2 0.060 4.019 3.960 -0.000 0.000 0.192 250 G HA3 0.060 4.019 3.960 -0.000 0.000 0.192 250 G C 0.569 175.479 174.900 0.017 0.000 1.547 250 G CA 0.320 45.409 45.100 -0.019 0.000 1.080 250 G HN 0.923 nan 8.290 nan 0.000 0.569 251 H N -2.091 116.967 119.070 -0.020 0.000 3.046 251 H HA 0.351 4.907 4.556 -0.001 0.000 0.262 251 H C 0.869 176.188 175.328 -0.015 0.000 1.044 251 H CA 0.296 56.336 56.048 -0.013 0.000 1.209 251 H CB 0.075 29.834 29.762 -0.006 0.000 1.507 251 H HN 0.538 nan 8.280 nan 0.000 0.507 252 Q N 0.450 119.862 119.800 -0.647 0.000 3.105 252 Q HA 0.434 4.774 4.340 -0.000 0.000 0.280 252 Q C -0.717 175.145 176.000 -0.230 0.000 1.042 252 Q CA -0.506 55.034 55.803 -0.438 0.000 0.857 252 Q CB 1.583 29.962 28.738 -0.598 0.000 1.468 252 Q HN 0.148 nan 8.270 nan 0.000 0.494 253 D N 0.229 120.532 120.400 -0.163 0.000 3.417 253 D HA -0.298 4.341 4.640 -0.000 0.000 0.163 253 D C 0.440 176.690 176.300 -0.084 0.000 1.070 253 D CA 1.897 55.834 54.000 -0.105 0.000 1.047 253 D CB -0.949 39.788 40.800 -0.106 0.000 0.514 253 D HN 0.712 nan 8.370 nan 0.000 0.532 254 N N 0.483 119.137 118.700 -0.076 0.000 2.422 254 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 254 N C 0.570 176.040 175.510 -0.066 0.000 1.080 254 N CA 0.421 53.435 53.050 -0.060 0.000 0.893 254 N CB -0.017 38.438 38.487 -0.053 0.000 0.973 254 N HN 0.299 nan 8.380 nan 0.000 0.456 255 D N 1.879 122.227 120.400 -0.087 0.000 2.160 255 D HA -0.154 4.486 4.640 -0.000 0.000 0.189 255 D C -0.685 175.580 176.300 -0.059 0.000 1.003 255 D CA 1.462 55.412 54.000 -0.084 0.000 0.846 255 D CB -1.348 39.389 40.800 -0.106 0.000 0.949 255 D HN 0.282 nan 8.370 nan 0.000 0.446 256 P HA -0.106 nan 4.420 nan 0.000 0.217 256 P C 1.400 178.689 177.300 -0.020 0.000 1.150 256 P CA 1.428 64.513 63.100 -0.025 0.000 0.832 256 P CB 0.019 31.710 31.700 -0.016 0.000 0.787 257 K N 0.146 120.531 120.400 -0.025 0.000 2.001 257 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 257 K C 1.785 178.375 176.600 -0.016 0.000 1.048 257 K CA 1.502 57.779 56.287 -0.017 0.000 0.932 257 K CB -0.632 31.858 32.500 -0.017 0.000 0.715 257 K HN -0.119 nan 8.250 nan 0.000 0.437 258 V N 1.665 121.563 119.914 -0.026 0.000 2.469 258 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 258 V C 2.484 178.563 176.094 -0.025 0.000 1.064 258 V CA 1.885 64.169 62.300 -0.028 0.000 1.066 258 V CB -0.910 30.881 31.823 -0.053 0.000 0.667 258 V HN 0.486 nan 8.190 nan 0.000 0.461 259 A N 0.898 123.702 122.820 -0.028 0.000 1.841 259 A HA -0.274 4.045 4.320 -0.000 0.000 0.214 259 A C 2.125 179.704 177.584 -0.007 0.000 1.195 259 A CA 2.249 54.274 52.037 -0.020 0.000 0.611 259 A CB -0.914 18.076 19.000 -0.018 0.000 0.835 259 A HN 0.587 nan 8.150 nan 0.000 0.443 260 N N 0.234 118.932 118.700 -0.003 0.000 2.036 260 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 260 N C 1.233 176.746 175.510 0.006 0.000 1.037 260 N CA 2.197 55.249 53.050 0.003 0.000 0.855 260 N CB -0.348 38.141 38.487 0.003 0.000 1.033 260 N HN 0.424 nan 8.380 nan 0.000 0.423 261 D N 0.236 120.639 120.400 0.006 0.000 2.116 261 D HA -0.169 4.470 4.640 -0.000 0.000 0.193 261 D C 1.826 178.135 176.300 0.015 0.000 0.998 261 D CA 0.908 54.915 54.000 0.011 0.000 0.836 261 D CB -0.535 40.273 40.800 0.014 0.000 0.951 261 D HN 0.362 nan 8.370 nan 0.000 0.449 262 L N -0.361 120.870 121.223 0.014 0.000 2.549 262 L HA -0.024 4.316 4.340 -0.000 0.000 0.230 262 L C 1.345 178.223 176.870 0.013 0.000 1.162 262 L CA 0.726 55.576 54.840 0.017 0.000 0.834 262 L CB -0.428 41.635 42.059 0.007 0.000 0.947 262 L HN 0.224 nan 8.230 nan 0.000 0.452 263 G N 0.242 109.049 108.800 0.011 0.000 2.149 263 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.235 263 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.235 263 G C -0.101 174.806 174.900 0.012 0.000 1.018 263 G CA -0.239 44.868 45.100 0.012 0.000 0.728 263 G HN 0.225 nan 8.290 nan 0.000 0.508 264 L N 0.011 121.240 121.223 0.010 0.000 2.325 264 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 264 L C -1.916 174.963 176.870 0.015 0.000 1.023 264 L CA -2.534 52.313 54.840 0.012 0.000 0.811 264 L CB 1.761 43.823 42.059 0.005 0.000 1.249 264 L HN -0.147 nan 8.230 nan 0.000 0.431 265 P HA -0.030 nan 4.420 nan 0.000 0.262 265 P C -0.792 176.521 177.300 0.021 0.000 1.182 265 P CA -0.060 63.054 63.100 0.023 0.000 0.761 265 P CB 0.426 32.144 31.700 0.030 0.000 0.795 266 V N 6.759 126.685 119.914 0.020 0.000 2.368 266 V HA 0.228 4.348 4.120 -0.000 0.000 0.266 266 V C -1.469 174.643 176.094 0.031 0.000 1.045 266 V CA -1.430 60.882 62.300 0.020 0.000 0.899 266 V CB 0.600 32.432 31.823 0.016 0.000 1.006 266 V HN 0.602 nan 8.190 nan 0.000 0.470 267 P HA 0.361 nan 4.420 nan 0.000 0.275 267 P C -0.644 176.701 177.300 0.076 0.000 1.228 267 P CA -0.576 62.557 63.100 0.055 0.000 0.786 267 P CB 1.201 32.937 31.700 0.062 0.000 0.927 268 R N 0.691 121.226 120.500 0.058 0.000 2.607 268 R HA 0.420 4.760 4.340 -0.000 0.000 0.261 268 R C 0.400 176.705 176.300 0.007 0.000 1.051 268 R CA -1.070 55.057 56.100 0.045 0.000 1.110 268 R CB 0.500 30.803 30.300 0.005 0.000 1.158 268 R HN 0.361 nan 8.270 nan 0.000 0.543 269 K N 0.340 120.645 120.400 -0.158 0.000 2.530 269 K HA -0.024 4.296 4.320 -0.000 0.000 0.280 269 K C 0.642 177.116 176.600 -0.210 0.000 1.004 269 K CA 1.594 57.559 56.287 -0.537 0.000 1.071 269 K CB 0.025 32.052 32.500 -0.788 0.000 0.876 269 K HN 0.782 nan 8.250 nan 0.000 0.487 270 G N 2.457 111.181 108.800 -0.128 0.000 2.284 270 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 270 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 270 G C -0.243 174.685 174.900 0.048 0.000 1.009 270 G CA 0.017 45.106 45.100 -0.018 0.000 0.625 270 G HN 0.612 nan 8.290 nan 0.000 0.501 271 Q N -0.092 119.738 119.800 0.050 0.000 2.241 271 Q HA 0.754 5.094 4.340 -0.000 0.000 0.262 271 Q C -0.161 175.894 176.000 0.092 0.000 1.014 271 Q CA -0.464 55.386 55.803 0.077 0.000 0.885 271 Q CB 3.023 31.797 28.738 0.061 0.000 1.311 271 Q HN 1.055 nan 8.270 nan 0.000 0.461 272 V N -2.712 117.257 119.914 0.092 0.000 3.120 272 V HA 0.773 4.893 4.120 -0.000 0.000 0.303 272 V C -1.242 174.882 176.094 0.051 0.000 1.238 272 V CA -0.851 61.483 62.300 0.055 0.000 1.008 272 V CB 1.943 33.782 31.823 0.025 0.000 1.064 272 V HN 0.532 nan 8.190 nan 0.000 0.434 273 V N 1.673 121.590 119.914 0.003 0.000 2.656 273 V HA 0.980 5.100 4.120 -0.000 0.000 0.307 273 V C 0.371 176.449 176.094 -0.027 0.000 1.051 273 V CA 0.047 62.359 62.300 0.020 0.000 0.893 273 V CB 1.451 33.286 31.823 0.020 0.000 0.999 273 V HN 1.600 nan 8.190 nan 0.000 0.426 274 A N 3.007 125.848 122.820 0.035 0.000 2.374 274 A HA 1.063 5.382 4.320 -0.000 0.000 0.317 274 A C -0.323 177.367 177.584 0.177 0.000 1.094 274 A CA -0.094 51.967 52.037 0.040 0.000 0.765 274 A CB 1.883 20.897 19.000 0.023 0.000 1.268 274 A HN 1.812 nan 8.150 nan 0.000 0.438 275 A N 1.190 124.004 122.820 -0.009 0.000 2.610 275 A HA 0.797 5.117 4.320 -0.000 0.000 0.291 275 A C -0.749 176.611 177.584 -0.375 0.000 1.086 275 A CA -0.653 51.212 52.037 -0.287 0.000 0.677 275 A CB 1.068 19.981 19.000 -0.145 0.000 1.278 275 A HN 0.914 nan 8.150 nan 0.000 0.414 276 R N 0.418 120.628 120.500 -0.484 0.000 2.346 276 R HA 0.611 4.951 4.340 -0.000 0.000 0.311 276 R C -1.055 175.177 176.300 -0.113 0.000 0.983 276 R CA -0.306 55.641 56.100 -0.254 0.000 0.880 276 R CB 1.172 31.334 30.300 -0.229 0.000 1.100 276 R HN 0.984 nan 8.270 nan 0.000 0.453 277 V N 2.842 122.733 119.914 -0.037 0.000 2.540 277 V HA 0.691 4.811 4.120 -0.000 0.000 0.302 277 V C -0.162 176.140 176.094 0.347 0.000 1.035 277 V CA -0.855 61.510 62.300 0.107 0.000 0.873 277 V CB 1.415 33.257 31.823 0.031 0.000 0.992 277 V HN 0.529 nan 8.190 nan 0.000 0.428 278 V N 1.550 121.668 119.914 0.340 0.000 2.919 278 V HA 0.816 4.936 4.120 -0.000 0.000 0.316 278 V C -2.796 173.340 176.094 0.071 0.000 1.077 278 V CA -2.860 59.599 62.300 0.265 0.000 0.977 278 V CB 1.661 33.536 31.823 0.086 0.000 1.039 278 V HN 0.733 nan 8.190 nan 0.000 0.441 279 P HA 0.370 nan 4.420 nan 0.000 0.271 279 P C -0.448 176.679 177.300 -0.289 0.000 1.216 279 P CA 0.290 63.002 63.100 -0.647 0.000 0.776 279 P CB 0.649 31.895 31.700 -0.757 0.000 0.881 280 A N 2.952 125.625 122.820 -0.246 0.000 2.363 280 A HA 0.211 4.531 4.320 -0.000 0.000 0.270 280 A C 0.627 178.137 177.584 -0.123 0.000 1.121 280 A CA -0.156 51.804 52.037 -0.128 0.000 0.800 280 A CB 0.005 18.956 19.000 -0.082 0.000 1.052 280 A HN 0.480 nan 8.150 nan 0.000 0.493 281 D N 0.847 121.197 120.400 -0.084 0.000 2.256 281 D HA 0.003 4.642 4.640 -0.000 0.000 0.279 281 D C 0.322 176.589 176.300 -0.055 0.000 1.209 281 D CA 0.153 54.110 54.000 -0.071 0.000 0.946 281 D CB -0.269 40.498 40.800 -0.054 0.000 0.914 281 D HN 0.769 nan 8.370 nan 0.000 0.278 282 E N 0.464 120.639 120.200 -0.041 0.000 1.814 282 E HA 0.278 4.628 4.350 -0.000 0.000 0.264 282 E C 0.762 177.346 176.600 -0.027 0.000 1.179 282 E CA 0.139 56.520 56.400 -0.032 0.000 0.972 282 E CB -0.411 29.274 29.700 -0.025 0.000 1.077 282 E HN 0.526 nan 8.360 nan 0.000 0.417 283 G N 4.325 113.109 108.800 -0.028 0.000 3.019 283 G HA2 -0.428 3.531 3.960 -0.000 0.000 0.231 283 G HA3 -0.428 3.531 3.960 -0.000 0.000 0.231 283 G C 0.227 175.115 174.900 -0.020 0.000 1.225 283 G CA 0.406 45.494 45.100 -0.021 0.000 0.845 283 G HN 0.781 nan 8.290 nan 0.000 0.527 284 D N -0.261 120.127 120.400 -0.019 0.000 10.050 284 D HA -0.118 4.522 4.640 -0.000 0.000 0.307 284 D C 1.133 177.428 176.300 -0.008 0.000 2.837 284 D CA 1.350 55.340 54.000 -0.016 0.000 2.563 284 D CB -0.500 40.289 40.800 -0.019 0.000 1.087 284 D HN 0.985 nan 8.370 nan 0.000 0.825 285 Q N 2.250 122.047 119.800 -0.005 0.000 2.225 285 Q HA 0.204 4.544 4.340 -0.000 0.000 0.222 285 Q C 0.207 176.208 176.000 0.002 0.000 0.887 285 Q CA 0.043 55.845 55.803 -0.002 0.000 0.958 285 Q CB 0.362 29.099 28.738 -0.001 0.000 1.058 285 Q HN 0.207 nan 8.270 nan 0.000 0.459 286 R N 0.767 121.268 120.500 0.003 0.000 2.637 286 R HA 0.268 4.608 4.340 -0.000 0.000 0.291 286 R C -0.712 175.595 176.300 0.011 0.000 0.963 286 R CA -0.828 55.277 56.100 0.008 0.000 0.901 286 R CB 1.390 31.695 30.300 0.009 0.000 1.160 286 R HN 0.254 nan 8.270 nan 0.000 0.457 287 Q N 1.437 121.245 119.800 0.013 0.000 2.362 287 Q HA -0.071 4.269 4.340 -0.000 0.000 0.305 287 Q C 0.281 176.295 176.000 0.024 0.000 1.120 287 Q CA 0.783 56.596 55.803 0.016 0.000 1.011 287 Q CB 0.373 29.120 28.738 0.015 0.000 1.048 287 Q HN 0.430 nan 8.270 nan 0.000 0.386 288 T N 0.905 115.473 114.554 0.024 0.000 2.881 288 T HA 0.731 5.081 4.350 -0.000 0.000 0.278 288 T C -0.944 173.783 174.700 0.045 0.000 0.982 288 T CA -0.227 61.895 62.100 0.036 0.000 0.989 288 T CB 1.012 69.895 68.868 0.024 0.000 1.058 288 T HN 0.623 nan 8.240 nan 0.000 0.529 289 A N 2.344 125.208 122.820 0.073 0.000 2.512 289 A HA 0.509 4.828 4.320 -0.000 0.000 0.294 289 A C -0.614 177.044 177.584 0.123 0.000 1.054 289 A CA -0.741 51.340 52.037 0.074 0.000 0.756 289 A CB 1.213 20.247 19.000 0.056 0.000 1.293 289 A HN 0.835 nan 8.150 nan 0.000 0.395 290 E N 3.112 123.370 120.200 0.096 0.000 2.313 290 E HA 0.520 4.869 4.350 -0.000 0.000 0.276 290 E C -0.479 176.193 176.600 0.121 0.000 1.031 290 E CA -0.292 56.184 56.400 0.128 0.000 0.857 290 E CB 0.709 30.454 29.700 0.075 0.000 1.040 290 E HN 0.614 nan 8.360 nan 0.000 0.408 291 I N 1.956 122.637 120.570 0.185 0.000 4.398 291 I HA -0.039 4.131 4.170 -0.000 0.000 0.240 291 I C 0.960 177.118 176.117 0.069 0.000 1.053 291 I CA -0.086 61.254 61.300 0.066 0.000 1.750 291 I CB 0.209 38.152 38.000 -0.095 0.000 1.561 291 I HN 0.546 nan 8.210 nan 0.000 0.454 292 Q N 0.823 120.700 119.800 0.128 0.000 2.318 292 Q HA 0.467 4.807 4.340 -0.000 0.000 0.371 292 Q C 0.200 176.274 176.000 0.123 0.000 0.896 292 Q CA 0.173 56.032 55.803 0.093 0.000 1.134 292 Q CB 1.203 29.970 28.738 0.048 0.000 1.329 292 Q HN 0.615 nan 8.270 nan 0.000 0.413 293 G N 0.955 109.830 108.800 0.126 0.000 2.234 293 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.153 293 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.153 293 G C -0.182 174.760 174.900 0.069 0.000 1.013 293 G CA -0.414 44.737 45.100 0.086 0.000 0.712 293 G HN 0.319 nan 8.290 nan 0.000 0.491 294 R N -1.294 119.272 120.500 0.111 0.000 2.762 294 R HA 0.632 4.972 4.340 -0.000 0.000 0.271 294 R C -0.928 175.386 176.300 0.024 0.000 1.038 294 R CA -1.098 54.988 56.100 -0.022 0.000 0.906 294 R CB 1.081 31.234 30.300 -0.246 0.000 1.259 294 R HN 0.040 nan 8.270 nan 0.000 0.457 295 R N 1.122 121.555 120.500 -0.112 0.000 2.287 295 R HA 0.236 4.576 4.340 -0.000 0.000 0.316 295 R C -1.068 175.181 176.300 -0.085 0.000 1.050 295 R CA -0.329 55.758 56.100 -0.021 0.000 0.983 295 R CB 0.572 30.851 30.300 -0.034 0.000 1.140 295 R HN 0.342 nan 8.270 nan 0.000 0.528 296 W N 1.763 123.050 121.300 -0.021 0.000 2.166 296 W HA 0.602 5.261 4.660 -0.001 0.000 0.364 296 W C 0.180 176.684 176.519 -0.025 0.000 1.344 296 W CA -0.151 57.179 57.345 -0.024 0.000 1.471 296 W CB 0.811 30.253 29.460 -0.029 0.000 1.220 296 W HN 0.439 nan 8.180 nan 0.000 0.666 297 A N -0.237 122.727 122.820 0.239 0.000 2.589 297 A HA 0.524 4.844 4.320 -0.000 0.000 0.296 297 A C -1.450 176.191 177.584 0.096 0.000 1.062 297 A CA -0.934 51.174 52.037 0.118 0.000 0.686 297 A CB 0.523 19.558 19.000 0.058 0.000 1.282 297 A HN 0.392 nan 8.150 nan 0.000 0.404 298 V N 2.262 122.205 119.914 0.047 0.000 2.486 298 V HA 0.281 4.400 4.120 -0.000 0.000 0.290 298 V C 1.363 177.464 176.094 0.012 0.000 0.991 298 V CA 0.706 63.012 62.300 0.010 0.000 1.142 298 V CB -0.567 31.251 31.823 -0.009 0.000 0.926 298 V HN 1.436 nan 8.190 nan 0.000 0.472 299 A N 5.554 128.381 122.820 0.011 0.000 2.536 299 A HA 0.394 4.714 4.320 -0.000 0.000 0.234 299 A C 0.047 177.632 177.584 0.003 0.000 1.076 299 A CA 0.241 52.287 52.037 0.014 0.000 0.769 299 A CB 0.425 19.434 19.000 0.016 0.000 1.020 299 A HN 0.804 nan 8.150 nan 0.000 0.508 300 V N 2.121 122.040 119.914 0.009 0.000 3.001 300 V HA 0.552 4.672 4.120 -0.000 0.000 0.314 300 V C -2.201 173.901 176.094 0.012 0.000 1.099 300 V CA -1.950 60.356 62.300 0.010 0.000 0.989 300 V CB 2.305 34.134 31.823 0.009 0.000 1.040 300 V HN 0.883 nan 8.190 nan 0.000 0.434 301 P HA 0.223 nan 4.420 nan 0.000 0.258 301 P C 0.401 177.709 177.300 0.013 0.000 1.214 301 P CA 1.409 64.520 63.100 0.017 0.000 0.872 301 P CB 0.276 31.987 31.700 0.019 0.000 0.890 302 G N 3.495 112.302 108.800 0.013 0.000 3.898 302 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.196 302 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.196 302 G C -0.380 174.525 174.900 0.009 0.000 1.322 302 G CA -0.531 44.575 45.100 0.010 0.000 0.942 302 G HN 0.457 nan 8.290 nan 0.000 0.400 303 D N 4.034 124.440 120.400 0.009 0.000 2.601 303 D HA 0.327 4.967 4.640 -0.000 0.000 0.229 303 D C -1.438 174.870 176.300 0.014 0.000 1.140 303 D CA 0.109 54.114 54.000 0.008 0.000 0.862 303 D CB 0.790 41.597 40.800 0.012 0.000 1.192 303 D HN 0.371 nan 8.370 nan 0.000 0.480 304 P HA 0.211 nan 4.420 nan 0.000 0.274 304 P C -0.080 177.239 177.300 0.031 0.000 1.256 304 P CA -0.462 62.649 63.100 0.018 0.000 0.795 304 P CB 0.867 32.573 31.700 0.010 0.000 1.038 305 I N 0.941 121.532 120.570 0.035 0.000 2.291 305 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 305 I C 0.095 176.248 176.117 0.059 0.000 1.064 305 I CA -0.512 60.816 61.300 0.047 0.000 1.269 305 I CB 0.751 38.775 38.000 0.039 0.000 1.418 305 I HN -0.028 nan 8.210 nan 0.000 0.485 306 V N 6.009 125.979 119.914 0.094 0.000 2.630 306 V HA 0.199 4.318 4.120 -0.000 0.000 0.305 306 V C 0.365 176.546 176.094 0.145 0.000 1.046 306 V CA -0.873 61.501 62.300 0.124 0.000 0.934 306 V CB 1.921 33.841 31.823 0.162 0.000 1.003 306 V HN 0.679 nan 8.190 nan 0.000 0.451 307 E N 2.554 122.825 120.200 0.119 0.000 2.480 307 E HA 0.294 4.644 4.350 -0.000 0.000 0.258 307 E C 0.293 176.931 176.600 0.063 0.000 0.984 307 E CA -0.099 56.346 56.400 0.075 0.000 0.930 307 E CB 0.806 30.541 29.700 0.059 0.000 0.936 307 E HN 0.862 nan 8.360 nan 0.000 0.466 308 A N 5.344 128.124 122.820 -0.066 0.000 2.366 308 A HA 0.375 4.695 4.320 -0.000 0.000 0.250 308 A C -2.250 175.139 177.584 -0.326 0.000 1.099 308 A CA -1.019 50.843 52.037 -0.291 0.000 0.794 308 A CB 0.019 18.862 19.000 -0.262 0.000 1.056 308 A HN 0.580 nan 8.150 nan 0.000 0.499 309 P HA 0.408 nan 4.420 nan 0.000 0.283 309 P C -0.984 176.156 177.300 -0.266 0.000 1.278 309 P CA -0.547 62.329 63.100 -0.374 0.000 0.834 309 P CB 1.181 32.547 31.700 -0.557 0.000 1.150 310 V N 2.193 122.007 119.914 -0.167 0.000 2.277 310 V HA 0.173 4.293 4.120 -0.000 0.000 0.269 310 V C -0.434 175.586 176.094 -0.124 0.000 1.036 310 V CA -0.870 61.350 62.300 -0.132 0.000 0.821 310 V CB 0.100 31.872 31.823 -0.084 0.000 1.052 310 V HN 0.200 nan 8.190 nan 0.000 0.462 311 V N 10.990 130.816 119.914 -0.147 0.000 2.539 311 V HA 0.029 4.149 4.120 -0.000 0.000 0.294 311 V C -0.947 175.094 176.094 -0.088 0.000 0.994 311 V CA -0.461 61.765 62.300 -0.122 0.000 1.169 311 V CB -0.293 31.454 31.823 -0.128 0.000 0.898 311 V HN 0.869 nan 8.190 nan 0.000 0.471 312 P HA 0.041 nan 4.420 nan 0.000 0.273 312 P C 0.359 177.628 177.300 -0.051 0.000 1.252 312 P CA -0.364 62.706 63.100 -0.051 0.000 0.809 312 P CB 0.466 32.145 31.700 -0.036 0.000 1.017 313 R N 0.000 120.475 120.500 -0.042 0.000 2.786 313 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 313 R CA 0.000 56.075 56.100 -0.041 0.000 0.921 313 R CB 0.000 30.276 30.300 -0.040 0.000 0.687 313 R HN 0.000 nan 8.270 nan 0.000 0.535