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 1y10_1_A DATA FIRST_RESID 14 DATA SEQUENCE DDLLGDLGGT ARAERAKLVE WLLEQGITPD EIRATNPPLL LATRHLVGDD DATA SEQUENCE GTYVSAREIS ENYGVDLELL QRVQRAVGLA RVDDPDAVVH MRADGEAAAR DATA SEQUENCE AQRFVELGLN PDQVVLVVRV LAEGLSHAAE AMRYTALEAI MRPGATELDI DATA SEQUENCE AKGSQALVSQ IVPLLGPMIQ DMLFMQLRHM METEAVNAGE RAAGKPLPGA DATA SEQUENCE RQVTVAFADL VGFTQLGEVV SAEELGHLAG RLAGLARDLT APPVWFIKTI DATA SEQUENCE GDAVMLVCPD PAPLLDTVLK LVEVVDTDNN FPRLRAGVAS GMAVSRAGDW DATA SEQUENCE FGSPVNVASR VTGVARPGAV LVADSVREAL GDXXXADGFQ WSFAGPRRLR DATA SEQUENCE GIRGDVRLFR VRR 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.308 176.300 0.014 0.000 2.045 14 D CA 0.000 54.009 54.000 0.015 0.000 0.868 14 D CB 0.000 nan 40.800 nan 0.000 0.688 15 D N 0.299 120.707 120.400 0.013 0.000 2.363 15 D HA 0.157 4.797 4.640 -0.000 0.000 0.226 15 D C 1.578 177.887 176.300 0.015 0.000 1.020 15 D CA 0.286 54.293 54.000 0.013 0.000 0.892 15 D CB 0.393 41.200 40.800 0.011 0.000 0.900 15 D HN 0.556 nan 8.370 nan 0.000 0.531 16 L N 0.188 121.422 121.223 0.017 0.000 2.728 16 L HA 0.233 4.573 4.340 -0.000 0.000 0.235 16 L C 1.162 178.045 176.870 0.022 0.000 1.197 16 L CA 0.105 54.957 54.840 0.020 0.000 0.992 16 L CB 0.083 42.156 42.059 0.023 0.000 1.263 16 L HN -0.084 nan 8.230 nan 0.000 0.484 17 L N -0.955 120.279 121.223 0.019 0.000 2.966 17 L HA 0.421 4.761 4.340 -0.000 0.000 0.262 17 L C 1.370 178.249 176.870 0.015 0.000 1.165 17 L CA -0.094 54.757 54.840 0.018 0.000 0.978 17 L CB 0.177 42.246 42.059 0.017 0.000 1.337 17 L HN 0.347 nan 8.230 nan 0.000 0.563 18 G N 1.199 110.007 108.800 0.014 0.000 2.578 18 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.275 18 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.275 18 G C 0.206 175.112 174.900 0.010 0.000 1.271 18 G CA 0.438 45.545 45.100 0.012 0.000 0.941 18 G HN 0.302 nan 8.290 nan 0.000 0.564 19 D N 0.251 120.656 120.400 0.009 0.000 2.323 19 D HA 0.208 4.848 4.640 -0.000 0.000 0.239 19 D C 1.408 177.712 176.300 0.007 0.000 1.129 19 D CA -0.023 53.982 54.000 0.007 0.000 0.865 19 D CB -0.381 40.422 40.800 0.006 0.000 0.913 19 D HN 0.437 nan 8.370 nan 0.000 0.517 20 L N -0.144 121.084 121.223 0.008 0.000 2.439 20 L HA 0.444 4.784 4.340 -0.000 0.000 0.269 20 L C 1.165 178.039 176.870 0.007 0.000 1.179 20 L CA -0.218 54.627 54.840 0.008 0.000 0.828 20 L CB 1.179 43.244 42.059 0.009 0.000 1.106 20 L HN -0.019 nan 8.230 nan 0.000 0.467 21 G N 0.029 108.833 108.800 0.006 0.000 2.694 21 G HA2 0.625 4.585 3.960 -0.000 0.000 0.290 21 G HA3 0.625 4.585 3.960 -0.000 0.000 0.290 21 G C -0.352 174.551 174.900 0.004 0.000 1.386 21 G CA -0.055 45.048 45.100 0.005 0.000 0.872 21 G HN 0.976 nan 8.290 nan 0.000 0.475 22 G N -0.543 108.259 108.800 0.004 0.000 2.525 22 G HA2 0.005 3.965 3.960 -0.000 0.000 0.248 22 G HA3 0.005 3.965 3.960 -0.000 0.000 0.248 22 G C 1.571 176.472 174.900 0.002 0.000 1.238 22 G CA 1.172 46.274 45.100 0.002 0.000 0.926 22 G HN 2.155 nan 8.290 nan 0.000 0.574 23 T N -1.204 113.350 114.554 0.001 0.000 2.624 23 T HA 0.014 4.364 4.350 -0.000 0.000 0.268 23 T C 2.707 177.407 174.700 -0.000 0.000 1.041 23 T CA 3.762 65.862 62.100 -0.001 0.000 1.159 23 T CB -0.973 67.894 68.868 -0.003 0.000 0.863 23 T HN 2.217 nan 8.240 nan 0.000 0.434 24 A N 2.031 124.852 122.820 0.001 0.000 1.892 24 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 24 A C 2.566 180.153 177.584 0.005 0.000 1.188 24 A CA 2.137 54.176 52.037 0.002 0.000 0.631 24 A CB -0.947 18.055 19.000 0.003 0.000 0.822 24 A HN 0.596 nan 8.150 nan 0.000 0.447 25 R N -0.625 119.878 120.500 0.006 0.000 2.081 25 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 25 R C 2.332 178.638 176.300 0.010 0.000 1.131 25 R CA 1.369 57.474 56.100 0.009 0.000 0.960 25 R CB -0.378 29.927 30.300 0.008 0.000 0.856 25 R HN 0.474 nan 8.270 nan 0.000 0.436 26 A N 0.908 123.733 122.820 0.007 0.000 1.930 26 A HA -0.150 4.169 4.320 -0.000 0.000 0.217 26 A C 1.877 179.465 177.584 0.007 0.000 1.175 26 A CA 1.341 53.383 52.037 0.008 0.000 0.627 26 A CB -0.338 18.665 19.000 0.004 0.000 0.815 26 A HN 0.446 nan 8.150 nan 0.000 0.443 27 E N -0.915 119.287 120.200 0.003 0.000 2.077 27 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 27 E C 2.298 178.902 176.600 0.006 0.000 0.989 27 E CA 1.225 57.624 56.400 -0.002 0.000 0.800 27 E CB -0.107 29.589 29.700 -0.008 0.000 0.746 27 E HN 0.455 nan 8.360 nan 0.000 0.452 28 R N 1.116 121.624 120.500 0.013 0.000 2.075 28 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 28 R C 1.990 178.311 176.300 0.035 0.000 1.126 28 R CA 1.546 57.660 56.100 0.024 0.000 0.963 28 R CB -0.615 29.698 30.300 0.021 0.000 0.858 28 R HN 0.129 nan 8.270 nan 0.000 0.435 29 A N 0.517 123.355 122.820 0.030 0.000 1.933 29 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 29 A C 2.002 179.616 177.584 0.049 0.000 1.175 29 A CA 1.751 53.809 52.037 0.036 0.000 0.628 29 A CB -0.392 18.624 19.000 0.027 0.000 0.814 29 A HN 0.374 nan 8.150 nan 0.000 0.444 30 K N -1.072 119.354 120.400 0.043 0.000 2.155 30 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 30 K C 1.886 178.542 176.600 0.092 0.000 1.052 30 K CA 1.030 57.350 56.287 0.055 0.000 0.948 30 K CB -0.241 32.272 32.500 0.022 0.000 0.728 30 K HN 0.412 nan 8.250 nan 0.000 0.448 31 L N 0.788 122.058 121.223 0.079 0.000 2.017 31 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 31 L C 1.917 178.908 176.870 0.201 0.000 1.073 31 L CA 1.556 56.475 54.840 0.133 0.000 0.745 31 L CB -0.387 41.721 42.059 0.081 0.000 0.894 31 L HN -0.124 nan 8.230 nan 0.000 0.432 32 V N 0.115 120.103 119.914 0.125 0.000 2.343 32 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 32 V C 2.626 178.781 176.094 0.101 0.000 1.051 32 V CA 2.025 64.385 62.300 0.099 0.000 1.036 32 V CB -0.741 31.119 31.823 0.061 0.000 0.654 32 V HN 0.642 nan 8.190 nan 0.000 0.451 33 E N -0.944 119.322 120.200 0.110 0.000 2.070 33 E HA -0.329 4.021 4.350 -0.000 0.000 0.197 33 E C 2.068 178.753 176.600 0.142 0.000 1.004 33 E CA 2.192 58.654 56.400 0.103 0.000 0.805 33 E CB -0.292 29.467 29.700 0.099 0.000 0.744 33 E HN 0.700 nan 8.360 nan 0.000 0.451 34 W N 1.284 122.586 121.300 0.003 0.000 2.342 34 W HA -0.170 4.490 4.660 -0.000 0.000 0.297 34 W C 1.900 178.423 176.519 0.005 0.000 1.213 34 W CA 1.565 58.912 57.345 0.003 0.000 1.251 34 W CB -0.312 29.149 29.460 0.001 0.000 1.136 34 W HN 0.085 nan 8.180 nan 0.000 0.526 35 L N -0.211 121.015 121.223 0.006 0.000 2.027 35 L HA -0.231 4.109 4.340 -0.000 0.000 0.206 35 L C 2.581 179.361 176.870 -0.151 0.000 1.074 35 L CA 1.227 55.969 54.840 -0.163 0.000 0.745 35 L CB -1.161 40.900 42.059 0.003 0.000 0.898 35 L HN -0.003 nan 8.230 nan 0.000 0.433 36 L N 0.114 121.301 121.223 -0.059 0.000 2.042 36 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 36 L C 2.675 179.500 176.870 -0.075 0.000 1.076 36 L CA 1.790 56.602 54.840 -0.048 0.000 0.749 36 L CB -0.581 41.472 42.059 -0.010 0.000 0.893 36 L HN 0.459 nan 8.230 nan 0.000 0.432 37 E N 0.500 120.646 120.200 -0.090 0.000 2.427 37 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 37 E C 1.773 178.285 176.600 -0.146 0.000 1.028 37 E CA 0.700 57.047 56.400 -0.089 0.000 0.864 37 E CB -0.097 29.577 29.700 -0.044 0.000 0.813 37 E HN 0.702 nan 8.360 nan 0.000 0.514 38 Q N 0.138 119.790 119.800 -0.247 0.000 2.392 38 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 38 Q C 1.109 177.012 176.000 -0.161 0.000 0.917 38 Q CA 0.532 56.182 55.803 -0.254 0.000 0.939 38 Q CB 0.629 29.100 28.738 -0.445 0.000 1.063 38 Q HN 0.286 nan 8.270 nan 0.000 0.516 39 G N 1.161 109.886 108.800 -0.125 0.000 2.168 39 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.197 39 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.197 39 G C -0.050 174.815 174.900 -0.059 0.000 0.997 39 G CA -0.233 44.821 45.100 -0.077 0.000 0.658 39 G HN 0.303 nan 8.290 nan 0.000 0.513 40 I N 2.791 123.319 120.570 -0.070 0.000 2.556 40 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 40 I C 1.517 177.622 176.117 -0.020 0.000 1.114 40 I CA 0.449 61.730 61.300 -0.030 0.000 1.418 40 I CB 1.031 39.011 38.000 -0.033 0.000 1.394 40 I HN 0.314 nan 8.210 nan 0.000 0.552 41 T N 3.118 117.670 114.554 -0.003 0.000 2.904 41 T HA 0.253 4.603 4.350 -0.000 0.000 0.290 41 T C -1.856 172.848 174.700 0.007 0.000 1.018 41 T CA -1.705 60.395 62.100 0.000 0.000 1.075 41 T CB 1.328 70.198 68.868 0.003 0.000 0.986 41 T HN 0.315 nan 8.240 nan 0.000 0.523 42 P HA -0.085 nan 4.420 nan 0.000 0.216 42 P C 1.060 178.370 177.300 0.017 0.000 1.153 42 P CA 0.994 64.102 63.100 0.013 0.000 0.858 42 P CB 0.015 31.721 31.700 0.011 0.000 0.789 43 D N -0.522 119.889 120.400 0.017 0.000 2.123 43 D HA -0.159 4.480 4.640 -0.000 0.000 0.196 43 D C 1.898 178.215 176.300 0.030 0.000 0.992 43 D CA 1.124 55.137 54.000 0.022 0.000 0.833 43 D CB -0.497 40.316 40.800 0.021 0.000 0.954 43 D HN 0.325 nan 8.370 nan 0.000 0.455 44 E N -0.009 120.209 120.200 0.031 0.000 2.110 44 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 44 E C 2.316 178.939 176.600 0.038 0.000 0.988 44 E CA 0.494 56.918 56.400 0.040 0.000 0.804 44 E CB -0.014 29.711 29.700 0.043 0.000 0.745 44 E HN 0.326 nan 8.360 nan 0.000 0.458 45 I N 0.650 121.239 120.570 0.031 0.000 2.252 45 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 45 I C 2.494 178.630 176.117 0.031 0.000 1.102 45 I CA 1.016 62.334 61.300 0.031 0.000 1.385 45 I CB -0.181 37.836 38.000 0.028 0.000 1.064 45 I HN 0.010 nan 8.210 nan 0.000 0.414 46 R N 0.691 121.209 120.500 0.029 0.000 2.092 46 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 46 R C 2.283 178.602 176.300 0.031 0.000 1.119 46 R CA 1.380 57.496 56.100 0.027 0.000 0.970 46 R CB -0.346 29.967 30.300 0.023 0.000 0.864 46 R HN 0.340 nan 8.270 nan 0.000 0.440 47 A N 0.327 123.171 122.820 0.039 0.000 2.168 47 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 47 A C 0.405 178.023 177.584 0.056 0.000 1.152 47 A CA 0.801 52.867 52.037 0.050 0.000 0.716 47 A CB 0.193 19.232 19.000 0.065 0.000 0.794 47 A HN 0.142 nan 8.150 nan 0.000 0.465 48 T N 1.024 115.607 114.554 0.047 0.000 2.977 48 T HA 0.339 4.689 4.350 -0.000 0.000 0.346 48 T C -0.813 173.909 174.700 0.036 0.000 1.140 48 T CA -0.571 61.556 62.100 0.046 0.000 1.040 48 T CB 0.456 69.349 68.868 0.042 0.000 1.046 48 T HN 0.173 nan 8.240 nan 0.000 0.494 49 N N 4.652 123.372 118.700 0.033 0.000 2.479 49 N HA 0.451 5.191 4.740 -0.000 0.000 0.261 49 N C -2.175 173.350 175.510 0.024 0.000 0.979 49 N CA -1.381 51.685 53.050 0.026 0.000 0.930 49 N CB 1.341 39.841 38.487 0.022 0.000 1.172 49 N HN 0.396 nan 8.380 nan 0.000 0.499 50 P HA 0.520 nan 4.420 nan 0.000 0.278 50 P C -2.544 174.773 177.300 0.027 0.000 1.258 50 P CA -1.195 61.920 63.100 0.024 0.000 0.811 50 P CB 1.147 32.859 31.700 0.020 0.000 1.063 51 P HA 0.147 nan 4.420 nan 0.000 0.254 51 P C 1.087 178.415 177.300 0.047 0.000 1.494 51 P CA -0.264 62.858 63.100 0.037 0.000 0.961 51 P CB 0.096 31.823 31.700 0.044 0.000 1.493 52 L N -0.009 121.237 121.223 0.039 0.000 2.079 52 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 52 L C 1.674 178.571 176.870 0.045 0.000 1.081 52 L CA 1.978 56.842 54.840 0.039 0.000 0.752 52 L CB -0.504 41.565 42.059 0.018 0.000 0.896 52 L HN -0.032 nan 8.230 nan 0.000 0.433 53 L N -1.341 119.896 121.223 0.023 0.000 2.965 53 L HA 0.091 4.431 4.340 -0.000 0.000 0.254 53 L C 1.421 178.267 176.870 -0.040 0.000 1.220 53 L CA -0.454 54.390 54.840 0.006 0.000 1.023 53 L CB 0.353 42.412 42.059 -0.001 0.000 1.355 53 L HN 0.173 nan 8.230 nan 0.000 0.545 54 L N 1.155 122.354 121.223 -0.040 0.000 2.042 54 L HA -0.147 4.192 4.340 -0.000 0.000 0.210 54 L C 2.520 179.174 176.870 -0.361 0.000 1.076 54 L CA 2.325 57.086 54.840 -0.132 0.000 0.749 54 L CB -0.433 41.592 42.059 -0.057 0.000 0.893 54 L HN 0.285 nan 8.230 nan 0.000 0.432 55 A N -2.331 120.368 122.820 -0.202 0.000 1.970 55 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 55 A C 2.173 179.653 177.584 -0.173 0.000 1.170 55 A CA 1.678 53.569 52.037 -0.242 0.000 0.645 55 A CB -0.808 18.183 19.000 -0.015 0.000 0.816 55 A HN 0.478 nan 8.150 nan 0.000 0.447 56 T N 0.300 114.815 114.554 -0.065 0.000 2.896 56 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 56 T C 1.988 176.670 174.700 -0.029 0.000 1.050 56 T CA 1.287 63.381 62.100 -0.010 0.000 1.140 56 T CB -0.242 68.637 68.868 0.018 0.000 0.877 56 T HN 0.773 nan 8.240 nan 0.000 0.457 57 R N 0.895 121.346 120.500 -0.080 0.000 2.189 57 R HA -0.014 4.326 4.340 -0.000 0.000 0.218 57 R C 1.757 178.083 176.300 0.044 0.000 1.074 57 R CA 1.292 57.375 56.100 -0.028 0.000 0.991 57 R CB -0.821 29.460 30.300 -0.032 0.000 0.883 57 R HN 0.527 nan 8.270 nan 0.000 0.457 58 H N 1.198 120.269 119.070 0.002 0.000 2.353 58 H HA -0.088 4.468 4.556 -0.000 0.000 0.298 58 H C 2.005 177.330 175.328 -0.006 0.000 1.103 58 H CA 1.584 57.627 56.048 -0.008 0.000 1.293 58 H CB -0.035 29.721 29.762 -0.010 0.000 1.372 58 H HN 0.145 nan 8.280 nan 0.000 0.501 59 L N 0.735 122.036 121.223 0.130 0.000 2.275 59 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 59 L C 1.782 178.679 176.870 0.044 0.000 1.119 59 L CA 0.504 55.387 54.840 0.073 0.000 0.790 59 L CB 0.064 42.157 42.059 0.057 0.000 0.919 59 L HN 0.270 nan 8.230 nan 0.000 0.443 60 V N -4.149 115.789 119.914 0.040 0.000 3.376 60 V HA 0.574 4.694 4.120 -0.000 0.000 0.313 60 V C 1.145 177.249 176.094 0.016 0.000 1.393 60 V CA 0.226 62.538 62.300 0.021 0.000 1.125 60 V CB -0.123 31.707 31.823 0.012 0.000 1.037 60 V HN 0.398 nan 8.190 nan 0.000 0.440 61 G N 0.552 109.368 108.800 0.027 0.000 2.159 61 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.227 61 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.227 61 G C -0.137 174.767 174.900 0.007 0.000 0.986 61 G CA 0.167 45.273 45.100 0.010 0.000 0.651 61 G HN 0.671 nan 8.290 nan 0.000 0.523 62 D N 1.500 121.918 120.400 0.031 0.000 2.411 62 D HA 0.433 5.073 4.640 -0.000 0.000 0.225 62 D C 1.049 177.392 176.300 0.072 0.000 1.156 62 D CA -0.148 53.863 54.000 0.018 0.000 0.874 62 D CB 0.531 41.341 40.800 0.016 0.000 1.034 62 D HN 0.276 nan 8.370 nan 0.000 0.502 63 D N 2.300 122.699 120.400 -0.003 0.000 2.340 63 D HA 0.128 4.768 4.640 -0.000 0.000 0.217 63 D C 1.346 177.619 176.300 -0.045 0.000 1.081 63 D CA 0.071 54.067 54.000 -0.006 0.000 0.842 63 D CB -0.186 40.567 40.800 -0.078 0.000 0.934 63 D HN 0.519 nan 8.370 nan 0.000 0.511 64 G N 0.768 109.502 108.800 -0.111 0.000 2.160 64 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 64 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 64 G C 0.356 175.008 174.900 -0.413 0.000 1.008 64 G CA 0.745 45.730 45.100 -0.190 0.000 0.724 64 G HN 0.813 nan 8.290 nan 0.000 0.514 65 T N -2.224 112.035 114.554 -0.491 0.000 2.918 65 T HA 0.784 5.134 4.350 -0.000 0.000 0.286 65 T C -0.503 173.804 174.700 -0.654 0.000 1.026 65 T CA -0.914 60.917 62.100 -0.449 0.000 1.031 65 T CB 2.376 71.153 68.868 -0.150 0.000 1.046 65 T HN 0.467 nan 8.240 nan 0.000 0.479 66 Y N -0.235 120.089 120.300 0.039 0.000 2.570 66 Y HA 0.784 5.334 4.550 -0.000 0.000 0.345 66 Y C -0.286 175.644 175.900 0.049 0.000 1.014 66 Y CA -1.202 56.926 58.100 0.046 0.000 1.063 66 Y CB 2.198 40.678 38.460 0.034 0.000 1.272 66 Y HN 0.715 nan 8.280 nan 0.000 0.477 67 V N 1.446 121.491 119.914 0.218 0.000 3.012 67 V HA 0.615 4.735 4.120 -0.000 0.000 0.307 67 V C -0.830 175.344 176.094 0.133 0.000 1.166 67 V CA -0.711 61.678 62.300 0.149 0.000 0.974 67 V CB 2.350 34.249 31.823 0.126 0.000 1.040 67 V HN 0.919 nan 8.190 nan 0.000 0.428 68 S N 4.547 120.305 115.700 0.097 0.000 2.610 68 S HA 0.651 5.120 4.470 -0.000 0.000 0.273 68 S C 1.209 175.864 174.600 0.092 0.000 1.274 68 S CA 0.149 58.391 58.200 0.071 0.000 1.023 68 S CB 1.706 64.934 63.200 0.047 0.000 0.962 68 S HN 1.623 nan 8.310 nan 0.000 0.523 69 A N 1.900 124.772 122.820 0.086 0.000 1.902 69 A HA -0.079 4.240 4.320 -0.000 0.000 0.217 69 A C 2.255 179.886 177.584 0.078 0.000 1.181 69 A CA 1.591 53.684 52.037 0.094 0.000 0.623 69 A CB -0.874 18.179 19.000 0.088 0.000 0.818 69 A HN 0.969 nan 8.150 nan 0.000 0.443 70 R N -0.123 120.414 120.500 0.062 0.000 2.091 70 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 70 R C 2.180 178.520 176.300 0.066 0.000 1.136 70 R CA 2.013 58.145 56.100 0.055 0.000 0.959 70 R CB -0.313 30.011 30.300 0.039 0.000 0.856 70 R HN 0.713 nan 8.270 nan 0.000 0.437 71 E N -0.022 120.223 120.200 0.074 0.000 2.077 71 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 71 E C 1.818 178.499 176.600 0.136 0.000 0.989 71 E CA 1.291 57.741 56.400 0.084 0.000 0.800 71 E CB 0.036 29.785 29.700 0.081 0.000 0.746 71 E HN 0.302 nan 8.360 nan 0.000 0.452 72 I N 0.997 121.669 120.570 0.170 0.000 2.163 72 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 72 I C 2.620 178.896 176.117 0.265 0.000 1.085 72 I CA 1.357 62.816 61.300 0.266 0.000 1.347 72 I CB -1.495 36.581 38.000 0.126 0.000 1.044 72 I HN 0.218 nan 8.210 nan 0.000 0.408 73 S N 0.353 116.142 115.700 0.147 0.000 2.370 73 S HA -0.270 4.200 4.470 -0.000 0.000 0.226 73 S C 2.042 176.699 174.600 0.096 0.000 1.033 73 S CA 2.062 60.329 58.200 0.112 0.000 1.011 73 S CB -0.205 63.040 63.200 0.074 0.000 0.852 73 S HN 0.590 nan 8.310 nan 0.000 0.457 74 E N 0.399 120.643 120.200 0.073 0.000 2.047 74 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 74 E C 1.791 178.387 176.600 -0.006 0.000 0.987 74 E CA 1.465 57.884 56.400 0.031 0.000 0.799 74 E CB -0.292 29.419 29.700 0.020 0.000 0.752 74 E HN 0.480 nan 8.360 nan 0.000 0.449 75 N N -0.367 118.316 118.700 -0.028 0.000 2.216 75 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 75 N C 0.994 176.269 175.510 -0.392 0.000 1.017 75 N CA 1.156 54.065 53.050 -0.235 0.000 0.861 75 N CB -0.220 38.047 38.487 -0.366 0.000 0.986 75 N HN 0.355 nan 8.380 nan 0.000 0.428 76 Y N -0.375 119.929 120.300 0.008 0.000 2.458 76 Y HA 0.333 4.883 4.550 -0.000 0.000 0.256 76 Y C 1.385 177.287 175.900 0.005 0.000 1.159 76 Y CA -0.150 57.953 58.100 0.005 0.000 1.261 76 Y CB 0.037 38.501 38.460 0.007 0.000 1.119 76 Y HN 0.006 nan 8.280 nan 0.000 0.524 77 G N 1.596 110.450 108.800 0.091 0.000 2.338 77 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.296 77 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.296 77 G C -0.088 174.856 174.900 0.074 0.000 1.040 77 G CA 0.420 45.557 45.100 0.062 0.000 1.004 77 G HN 0.390 nan 8.290 nan 0.000 0.509 78 V N -2.933 117.036 119.914 0.093 0.000 2.881 78 V HA 0.800 4.920 4.120 -0.000 0.000 0.316 78 V C 0.373 176.501 176.094 0.057 0.000 1.070 78 V CA -1.257 61.086 62.300 0.073 0.000 0.976 78 V CB 2.036 33.904 31.823 0.075 0.000 1.038 78 V HN 0.261 nan 8.190 nan 0.000 0.446 79 D N 1.113 121.540 120.400 0.046 0.000 2.425 79 D HA 0.123 4.763 4.640 -0.000 0.000 0.247 79 D C 0.663 176.987 176.300 0.040 0.000 1.147 79 D CA -0.089 53.934 54.000 0.039 0.000 0.879 79 D CB 1.359 42.179 40.800 0.033 0.000 1.179 79 D HN 0.649 nan 8.370 nan 0.000 0.456 80 L N 3.992 125.239 121.223 0.039 0.000 2.027 80 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 80 L C 1.926 178.818 176.870 0.036 0.000 1.074 80 L CA 1.741 56.605 54.840 0.040 0.000 0.745 80 L CB -0.594 41.488 42.059 0.038 0.000 0.898 80 L HN 0.698 nan 8.230 nan 0.000 0.433 81 E N -0.842 119.376 120.200 0.030 0.000 2.072 81 E HA -0.247 4.103 4.350 -0.000 0.000 0.191 81 E C 2.198 178.814 176.600 0.027 0.000 0.985 81 E CA 1.343 57.759 56.400 0.027 0.000 0.801 81 E CB -0.167 29.546 29.700 0.022 0.000 0.750 81 E HN 0.410 nan 8.360 nan 0.000 0.452 82 L N 1.047 122.286 121.223 0.027 0.000 2.093 82 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 82 L C 2.319 179.204 176.870 0.026 0.000 1.085 82 L CA 1.134 55.990 54.840 0.027 0.000 0.755 82 L CB -0.529 41.548 42.059 0.031 0.000 0.904 82 L HN 0.245 nan 8.230 nan 0.000 0.435 83 L N -0.585 120.656 121.223 0.029 0.000 2.012 83 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 83 L C 2.442 179.326 176.870 0.024 0.000 1.073 83 L CA 1.866 56.720 54.840 0.024 0.000 0.748 83 L CB -0.617 41.462 42.059 0.033 0.000 0.891 83 L HN 0.421 nan 8.230 nan 0.000 0.431 84 Q N -0.914 118.907 119.800 0.036 0.000 2.119 84 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 84 Q C 2.316 178.333 176.000 0.029 0.000 0.972 84 Q CA 1.496 57.326 55.803 0.045 0.000 0.847 84 Q CB -0.148 28.620 28.738 0.051 0.000 0.903 84 Q HN 0.531 nan 8.270 nan 0.000 0.433 85 R N -0.075 120.437 120.500 0.021 0.000 2.081 85 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 85 R C 2.316 178.617 176.300 0.002 0.000 1.131 85 R CA 1.322 57.429 56.100 0.012 0.000 0.960 85 R CB -0.323 29.984 30.300 0.011 0.000 0.856 85 R HN 0.095 nan 8.270 nan 0.000 0.436 86 V N 1.185 121.099 119.914 -0.000 0.000 2.358 86 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 86 V C 2.296 178.371 176.094 -0.031 0.000 1.047 86 V CA 1.686 63.978 62.300 -0.012 0.000 1.035 86 V CB -0.520 31.301 31.823 -0.004 0.000 0.658 86 V HN 0.350 nan 8.190 nan 0.000 0.452 87 Q N -0.294 119.483 119.800 -0.038 0.000 2.096 87 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 87 Q C 2.495 178.455 176.000 -0.067 0.000 0.982 87 Q CA 1.883 57.635 55.803 -0.085 0.000 0.850 87 Q CB -0.178 28.506 28.738 -0.090 0.000 0.901 87 Q HN 0.585 nan 8.270 nan 0.000 0.422 88 R N -0.336 120.154 120.500 -0.017 0.000 2.115 88 R HA -0.004 4.336 4.340 -0.000 0.000 0.226 88 R C 2.162 178.454 176.300 -0.014 0.000 1.100 88 R CA 0.951 57.050 56.100 -0.002 0.000 0.980 88 R CB -0.161 30.149 30.300 0.018 0.000 0.875 88 R HN 0.166 nan 8.270 nan 0.000 0.445 89 A N 1.003 123.812 122.820 -0.019 0.000 1.968 89 A HA -0.084 4.235 4.320 -0.000 0.000 0.217 89 A C 2.226 179.791 177.584 -0.031 0.000 1.169 89 A CA 1.338 53.362 52.037 -0.023 0.000 0.638 89 A CB -0.427 18.558 19.000 -0.024 0.000 0.812 89 A HN 0.231 nan 8.150 nan 0.000 0.446 90 V N -3.418 116.472 119.914 -0.040 0.000 3.141 90 V HA 0.384 4.504 4.120 -0.000 0.000 0.265 90 V C 1.459 177.526 176.094 -0.046 0.000 1.126 90 V CA 1.171 63.443 62.300 -0.046 0.000 1.141 90 V CB -0.901 30.889 31.823 -0.055 0.000 0.743 90 V HN 1.488 nan 8.190 nan 0.000 0.492 91 G N -0.087 108.688 108.800 -0.041 0.000 2.138 91 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.193 91 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.193 91 G C -0.175 174.707 174.900 -0.029 0.000 0.998 91 G CA 0.019 45.099 45.100 -0.032 0.000 0.668 91 G HN 0.547 nan 8.290 nan 0.000 0.516 92 L N 0.792 121.984 121.223 -0.051 0.000 2.453 92 L HA 0.659 4.999 4.340 -0.000 0.000 0.261 92 L C 1.426 178.335 176.870 0.066 0.000 1.179 92 L CA -0.356 54.454 54.840 -0.050 0.000 0.813 92 L CB 0.772 42.663 42.059 -0.279 0.000 1.110 92 L HN 0.333 nan 8.230 nan 0.000 0.466 93 A N 2.109 125.037 122.820 0.179 0.000 2.511 93 A HA 0.168 4.488 4.320 -0.000 0.000 0.242 93 A C 0.137 177.863 177.584 0.236 0.000 1.069 93 A CA -0.160 51.986 52.037 0.182 0.000 0.763 93 A CB -0.090 18.999 19.000 0.147 0.000 1.001 93 A HN 0.719 nan 8.150 nan 0.000 0.498 94 R N 1.347 121.912 120.500 0.109 0.000 2.370 94 R HA 0.330 4.670 4.340 -0.000 0.000 0.309 94 R C -1.077 175.240 176.300 0.028 0.000 1.059 94 R CA -0.104 56.044 56.100 0.081 0.000 0.981 94 R CB 0.447 30.772 30.300 0.043 0.000 0.972 94 R HN 0.404 nan 8.270 nan 0.000 0.437 95 V N 3.738 123.660 119.914 0.012 0.000 2.350 95 V HA 0.057 4.177 4.120 -0.000 0.000 0.285 95 V C 0.258 176.339 176.094 -0.022 0.000 1.014 95 V CA -0.498 61.762 62.300 -0.066 0.000 0.831 95 V CB 1.505 33.193 31.823 -0.224 0.000 1.000 95 V HN 0.752 nan 8.190 nan 0.000 0.433 96 D N 1.570 121.958 120.400 -0.019 0.000 2.234 96 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 96 D C 0.646 176.941 176.300 -0.007 0.000 0.962 96 D CA 0.897 54.894 54.000 -0.005 0.000 0.855 96 D CB 0.390 41.186 40.800 -0.005 0.000 0.951 96 D HN 0.594 nan 8.370 nan 0.000 0.500 97 D N 0.805 121.194 120.400 -0.019 0.000 2.339 97 D HA 0.059 4.699 4.640 -0.000 0.000 0.241 97 D C -1.534 174.759 176.300 -0.012 0.000 1.183 97 D CA -2.038 51.953 54.000 -0.015 0.000 0.859 97 D CB 1.750 42.537 40.800 -0.022 0.000 1.067 97 D HN -0.044 nan 8.370 nan 0.000 0.484 98 P HA -0.059 nan 4.420 nan 0.000 0.223 98 P C 0.298 177.606 177.300 0.015 0.000 1.151 98 P CA 0.686 63.795 63.100 0.015 0.000 0.787 98 P CB 0.582 32.295 31.700 0.022 0.000 0.788 99 D N -0.286 120.118 120.400 0.006 0.000 2.350 99 D HA 0.114 4.754 4.640 -0.000 0.000 0.213 99 D C 0.827 177.126 176.300 -0.001 0.000 1.031 99 D CA 0.145 54.149 54.000 0.007 0.000 0.861 99 D CB 0.269 41.073 40.800 0.005 0.000 0.926 99 D HN 0.118 nan 8.370 nan 0.000 0.520 100 A N 1.062 123.872 122.820 -0.017 0.000 2.409 100 A HA 0.291 4.611 4.320 -0.000 0.000 0.267 100 A C 0.353 177.915 177.584 -0.035 0.000 1.127 100 A CA -0.268 51.748 52.037 -0.035 0.000 0.795 100 A CB 0.659 19.624 19.000 -0.058 0.000 1.061 100 A HN -0.046 nan 8.150 nan 0.000 0.502 101 V N 4.802 124.701 119.914 -0.026 0.000 2.338 101 V HA 0.178 4.298 4.120 -0.000 0.000 0.255 101 V C 0.671 176.739 176.094 -0.044 0.000 1.082 101 V CA 0.178 62.480 62.300 0.004 0.000 0.951 101 V CB 0.058 31.902 31.823 0.035 0.000 1.102 101 V HN 0.769 nan 8.190 nan 0.000 0.489 102 V N 3.040 122.921 119.914 -0.055 0.000 3.278 102 V HA 0.161 4.281 4.120 -0.000 0.000 0.215 102 V C 0.775 176.891 176.094 0.036 0.000 1.287 102 V CA 0.015 62.239 62.300 -0.127 0.000 1.302 102 V CB -0.208 31.466 31.823 -0.247 0.000 1.228 102 V HN 0.790 nan 8.190 nan 0.000 0.523 103 H N 0.558 119.698 119.070 0.117 0.000 2.871 103 H HA 0.221 4.777 4.556 0.000 0.000 0.355 103 H C 0.222 175.686 175.328 0.227 0.000 1.092 103 H CA -0.197 55.937 56.048 0.142 0.000 1.420 103 H CB 0.301 30.108 29.762 0.074 0.000 1.400 103 H HN 0.236 nan 8.280 nan 0.000 0.604 104 M N 2.330 122.122 119.600 0.320 0.000 2.251 104 M HA -0.083 4.397 4.480 -0.000 0.000 0.343 104 M C 1.946 178.275 176.300 0.049 0.000 1.245 104 M CA 0.505 55.865 55.300 0.099 0.000 1.061 104 M CB 0.644 33.264 32.600 0.033 0.000 1.723 104 M HN 0.674 nan 8.290 nan 0.000 0.449 105 R N 2.863 123.347 120.500 -0.028 0.000 2.083 105 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 105 R C 1.913 178.201 176.300 -0.019 0.000 1.137 105 R CA 2.224 58.324 56.100 -0.002 0.000 0.951 105 R CB -0.279 30.008 30.300 -0.022 0.000 0.851 105 R HN 0.898 nan 8.270 nan 0.000 0.434 106 A N 0.908 123.704 122.820 -0.039 0.000 1.933 106 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 106 A C 1.630 179.179 177.584 -0.059 0.000 1.175 106 A CA 1.861 53.871 52.037 -0.045 0.000 0.628 106 A CB -0.495 18.482 19.000 -0.038 0.000 0.814 106 A HN 0.447 nan 8.150 nan 0.000 0.444 107 D N -0.208 120.161 120.400 -0.052 0.000 2.097 107 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 107 D C 2.105 178.339 176.300 -0.109 0.000 0.989 107 D CA 1.537 55.489 54.000 -0.082 0.000 0.827 107 D CB -0.802 39.942 40.800 -0.094 0.000 0.966 107 D HN 0.425 nan 8.370 nan 0.000 0.456 108 G N 0.792 109.546 108.800 -0.077 0.000 2.418 108 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 108 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 108 G C 1.499 176.307 174.900 -0.154 0.000 1.158 108 G CA 0.540 45.596 45.100 -0.073 0.000 0.771 108 G HN 0.299 nan 8.290 nan 0.000 0.545 109 E N 0.445 120.526 120.200 -0.198 0.000 2.150 109 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 109 E C 2.812 179.245 176.600 -0.279 0.000 0.985 109 E CA 0.692 56.864 56.400 -0.381 0.000 0.814 109 E CB -0.101 29.418 29.700 -0.301 0.000 0.752 109 E HN 0.436 nan 8.360 nan 0.000 0.466 110 A N 1.219 123.944 122.820 -0.158 0.000 1.970 110 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 110 A C 2.319 179.853 177.584 -0.082 0.000 1.170 110 A CA 1.105 53.081 52.037 -0.101 0.000 0.645 110 A CB -0.267 18.693 19.000 -0.067 0.000 0.816 110 A HN 0.258 nan 8.150 nan 0.000 0.447 111 A N 0.053 122.816 122.820 -0.096 0.000 1.969 111 A HA 0.230 4.550 4.320 -0.000 0.000 0.218 111 A C 2.417 179.967 177.584 -0.057 0.000 1.169 111 A CA 1.682 53.679 52.037 -0.067 0.000 0.635 111 A CB -0.852 18.100 19.000 -0.080 0.000 0.810 111 A HN 0.979 nan 8.150 nan 0.000 0.445 112 A N 0.141 122.891 122.820 -0.116 0.000 1.978 112 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 112 A C 2.146 179.695 177.584 -0.059 0.000 1.170 112 A CA 1.542 53.512 52.037 -0.111 0.000 0.636 112 A CB -0.467 18.370 19.000 -0.271 0.000 0.810 112 A HN 0.562 nan 8.150 nan 0.000 0.448 113 R N -0.534 119.929 120.500 -0.063 0.000 2.237 113 R HA 0.011 4.351 4.340 -0.000 0.000 0.219 113 R C 2.154 178.476 176.300 0.038 0.000 1.080 113 R CA 0.777 56.864 56.100 -0.023 0.000 0.995 113 R CB -0.345 29.940 30.300 -0.025 0.000 0.875 113 R HN 0.521 nan 8.270 nan 0.000 0.462 114 A N 0.803 123.681 122.820 0.096 0.000 2.066 114 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 114 A C 2.026 179.740 177.584 0.215 0.000 1.157 114 A CA 0.858 53.036 52.037 0.236 0.000 0.670 114 A CB -0.270 18.817 19.000 0.145 0.000 0.804 114 A HN 0.328 nan 8.150 nan 0.000 0.453 115 Q N -0.159 119.700 119.800 0.098 0.000 2.234 115 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 115 Q C 2.099 178.132 176.000 0.056 0.000 0.980 115 Q CA 1.694 57.542 55.803 0.076 0.000 0.869 115 Q CB -0.169 28.597 28.738 0.047 0.000 0.912 115 Q HN 0.663 nan 8.270 nan 0.000 0.436 116 R N -0.709 119.786 120.500 -0.008 0.000 2.105 116 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 116 R C 1.607 177.833 176.300 -0.124 0.000 1.135 116 R CA 1.738 57.771 56.100 -0.113 0.000 0.967 116 R CB -0.256 29.903 30.300 -0.235 0.000 0.861 116 R HN 0.296 nan 8.270 nan 0.000 0.442 117 F N -0.552 119.403 119.950 0.007 0.000 2.216 117 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 117 F C 2.187 177.991 175.800 0.007 0.000 1.085 117 F CA 1.013 59.018 58.000 0.008 0.000 1.326 117 F CB -0.318 38.686 39.000 0.006 0.000 1.027 117 F HN -0.128 nan 8.300 nan 0.000 0.497 118 V N -0.498 119.527 119.914 0.186 0.000 2.488 118 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 118 V C 2.024 178.155 176.094 0.063 0.000 1.046 118 V CA 1.529 63.893 62.300 0.106 0.000 1.053 118 V CB -0.511 31.363 31.823 0.084 0.000 0.679 118 V HN 0.285 nan 8.190 nan 0.000 0.458 119 E N 0.272 120.497 120.200 0.042 0.000 2.153 119 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 119 E C 1.889 178.498 176.600 0.014 0.000 0.988 119 E CA 1.006 57.417 56.400 0.019 0.000 0.811 119 E CB -0.114 29.587 29.700 0.003 0.000 0.746 119 E HN 0.506 nan 8.360 nan 0.000 0.466 120 L N -0.560 120.672 121.223 0.015 0.000 2.599 120 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 120 L C 1.201 178.092 176.870 0.036 0.000 1.141 120 L CA 0.379 55.228 54.840 0.015 0.000 0.877 120 L CB 0.197 42.254 42.059 -0.002 0.000 1.009 120 L HN 0.293 nan 8.230 nan 0.000 0.447 121 G N -0.083 108.744 108.800 0.045 0.000 2.154 121 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.186 121 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.186 121 G C 0.001 174.931 174.900 0.049 0.000 1.000 121 G CA -0.601 44.524 45.100 0.041 0.000 0.664 121 G HN 0.150 nan 8.290 nan 0.000 0.513 122 L N 1.014 122.281 121.223 0.073 0.000 2.375 122 L HA 0.430 4.770 4.340 -0.000 0.000 0.271 122 L C 0.268 177.168 176.870 0.050 0.000 1.107 122 L CA -1.254 53.625 54.840 0.066 0.000 0.806 122 L CB 0.622 42.738 42.059 0.094 0.000 1.146 122 L HN 0.012 nan 8.230 nan 0.000 0.447 123 N N 3.041 121.759 118.700 0.030 0.000 2.458 123 N HA 0.038 4.778 4.740 -0.000 0.000 0.258 123 N C -1.729 173.793 175.510 0.020 0.000 1.219 123 N CA -1.261 51.802 53.050 0.022 0.000 0.902 123 N CB 0.531 39.025 38.487 0.012 0.000 1.076 123 N HN 0.326 nan 8.380 nan 0.000 0.455 124 P HA -0.112 nan 4.420 nan 0.000 0.216 124 P C 0.387 177.689 177.300 0.004 0.000 1.150 124 P CA 1.272 64.384 63.100 0.019 0.000 0.837 124 P CB 0.349 32.062 31.700 0.021 0.000 0.786 125 D N -1.484 118.917 120.400 0.002 0.000 2.117 125 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 125 D C 2.209 178.500 176.300 -0.014 0.000 0.982 125 D CA 0.921 54.918 54.000 -0.005 0.000 0.828 125 D CB -0.352 40.447 40.800 -0.002 0.000 0.967 125 D HN 0.106 nan 8.370 nan 0.000 0.464 126 Q N 0.110 119.901 119.800 -0.015 0.000 2.119 126 Q HA -0.066 4.274 4.340 -0.000 0.000 0.201 126 Q C 2.383 178.351 176.000 -0.053 0.000 0.972 126 Q CA 0.575 56.362 55.803 -0.027 0.000 0.847 126 Q CB -0.191 28.535 28.738 -0.019 0.000 0.903 126 Q HN 0.258 nan 8.270 nan 0.000 0.433 127 V N 0.395 120.275 119.914 -0.057 0.000 2.287 127 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 127 V C 2.473 178.509 176.094 -0.098 0.000 1.053 127 V CA 1.443 63.678 62.300 -0.108 0.000 1.027 127 V CB -0.641 31.140 31.823 -0.069 0.000 0.646 127 V HN 0.102 nan 8.190 nan 0.000 0.447 128 V N -0.464 119.418 119.914 -0.054 0.000 2.407 128 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 128 V C 2.291 178.358 176.094 -0.044 0.000 1.055 128 V CA 2.155 64.429 62.300 -0.042 0.000 1.049 128 V CB -0.427 31.383 31.823 -0.021 0.000 0.662 128 V HN 0.503 nan 8.190 nan 0.000 0.455 129 L N -0.449 120.749 121.223 -0.041 0.000 2.017 129 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 129 L C 2.376 179.219 176.870 -0.045 0.000 1.073 129 L CA 1.609 56.427 54.840 -0.035 0.000 0.745 129 L CB -0.165 41.877 42.059 -0.029 0.000 0.894 129 L HN 0.145 nan 8.230 nan 0.000 0.432 130 V N -1.095 118.779 119.914 -0.067 0.000 2.343 130 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 130 V C 2.421 178.467 176.094 -0.079 0.000 1.051 130 V CA 1.580 63.833 62.300 -0.080 0.000 1.036 130 V CB -0.234 31.517 31.823 -0.121 0.000 0.654 130 V HN 0.304 nan 8.190 nan 0.000 0.451 131 V N -0.107 119.752 119.914 -0.091 0.000 2.332 131 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 131 V C 2.629 178.695 176.094 -0.047 0.000 1.055 131 V CA 2.133 64.388 62.300 -0.076 0.000 1.038 131 V CB -0.760 31.019 31.823 -0.074 0.000 0.651 131 V HN 0.483 nan 8.190 nan 0.000 0.450 132 R N -0.571 119.906 120.500 -0.038 0.000 2.091 132 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 132 R C 2.209 178.500 176.300 -0.015 0.000 1.136 132 R CA 1.616 57.702 56.100 -0.024 0.000 0.959 132 R CB -0.574 29.714 30.300 -0.019 0.000 0.856 132 R HN 0.428 nan 8.270 nan 0.000 0.437 133 V N 1.441 121.345 119.914 -0.015 0.000 2.358 133 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 133 V C 2.341 178.438 176.094 0.005 0.000 1.047 133 V CA 1.547 63.847 62.300 -0.001 0.000 1.035 133 V CB -0.412 31.407 31.823 -0.007 0.000 0.658 133 V HN 0.267 nan 8.190 nan 0.000 0.452 134 L N 0.158 121.375 121.223 -0.011 0.000 2.042 134 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 134 L C 2.720 179.587 176.870 -0.005 0.000 1.076 134 L CA 1.683 56.519 54.840 -0.007 0.000 0.749 134 L CB -0.753 41.292 42.059 -0.024 0.000 0.893 134 L HN 0.367 nan 8.230 nan 0.000 0.432 135 A N -0.236 122.574 122.820 -0.017 0.000 1.902 135 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 135 A C 2.175 179.741 177.584 -0.030 0.000 1.181 135 A CA 1.883 53.904 52.037 -0.026 0.000 0.623 135 A CB -0.471 18.510 19.000 -0.033 0.000 0.818 135 A HN 0.412 nan 8.150 nan 0.000 0.443 136 E N 0.070 120.265 120.200 -0.009 0.000 2.038 136 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 136 E C 2.015 178.656 176.600 0.068 0.000 1.000 136 E CA 1.874 58.276 56.400 0.004 0.000 0.803 136 E CB -0.903 28.833 29.700 0.059 0.000 0.750 136 E HN 0.372 nan 8.360 nan 0.000 0.448 137 G N 0.478 109.350 108.800 0.120 0.000 2.418 137 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 137 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 137 G C 1.627 176.600 174.900 0.123 0.000 1.158 137 G CA 0.936 46.142 45.100 0.178 0.000 0.771 137 G HN 0.313 nan 8.290 nan 0.000 0.545 138 L N 1.614 122.862 121.223 0.041 0.000 2.201 138 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 138 L C 3.257 180.112 176.870 -0.025 0.000 1.105 138 L CA 1.200 56.047 54.840 0.012 0.000 0.775 138 L CB -0.260 41.796 42.059 -0.006 0.000 0.913 138 L HN 0.425 nan 8.230 nan 0.000 0.440 139 S N -1.445 114.202 115.700 -0.089 0.000 2.382 139 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 139 S C 1.921 176.404 174.600 -0.194 0.000 1.027 139 S CA 0.858 58.953 58.200 -0.174 0.000 0.991 139 S CB -0.539 62.505 63.200 -0.259 0.000 0.823 139 S HN 0.463 nan 8.310 nan 0.000 0.469 140 H N 1.727 120.790 119.070 -0.011 0.000 2.363 140 H HA 0.228 4.784 4.556 -0.000 0.000 0.301 140 H C 2.691 178.015 175.328 -0.007 0.000 1.074 140 H CA 1.327 57.373 56.048 -0.003 0.000 1.354 140 H CB -0.778 28.993 29.762 0.014 0.000 1.397 140 H HN 0.607 nan 8.280 nan 0.000 0.516 141 A N 1.351 124.238 122.820 0.112 0.000 1.930 141 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 141 A C 2.688 180.280 177.584 0.013 0.000 1.175 141 A CA 1.489 53.561 52.037 0.058 0.000 0.627 141 A CB -0.694 18.334 19.000 0.047 0.000 0.815 141 A HN 0.416 nan 8.150 nan 0.000 0.443 142 A N -0.020 122.791 122.820 -0.015 0.000 1.902 142 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 142 A C 1.966 179.500 177.584 -0.084 0.000 1.181 142 A CA 2.087 54.098 52.037 -0.045 0.000 0.623 142 A CB -0.505 18.462 19.000 -0.055 0.000 0.818 142 A HN 0.604 nan 8.150 nan 0.000 0.443 143 E N 0.307 120.441 120.200 -0.111 0.000 2.077 143 E HA -0.081 4.268 4.350 -0.000 0.000 0.193 143 E C 1.919 178.348 176.600 -0.285 0.000 0.989 143 E CA 1.656 57.919 56.400 -0.228 0.000 0.800 143 E CB -0.412 29.175 29.700 -0.187 0.000 0.746 143 E HN 0.469 nan 8.360 nan 0.000 0.452 144 A N 0.237 123.014 122.820 -0.073 0.000 1.930 144 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 144 A C 2.253 179.862 177.584 0.042 0.000 1.175 144 A CA 1.540 53.609 52.037 0.053 0.000 0.627 144 A CB -0.484 18.577 19.000 0.103 0.000 0.815 144 A HN 0.367 nan 8.150 nan 0.000 0.443 145 M N -1.391 118.207 119.600 -0.004 0.000 2.229 145 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 145 M C 2.350 178.645 176.300 -0.009 0.000 1.063 145 M CA 1.538 56.840 55.300 0.003 0.000 1.114 145 M CB -0.236 32.360 32.600 -0.007 0.000 1.387 145 M HN 0.485 nan 8.290 nan 0.000 0.420 146 R N -0.031 120.424 120.500 -0.075 0.000 2.070 146 R HA -0.160 4.180 4.340 -0.000 0.000 0.233 146 R C 2.031 178.336 176.300 0.009 0.000 1.137 146 R CA 1.838 57.888 56.100 -0.083 0.000 0.945 146 R CB -0.416 29.771 30.300 -0.188 0.000 0.845 146 R HN 0.382 nan 8.270 nan 0.000 0.430 147 Y N 0.109 120.423 120.300 0.024 0.000 2.114 147 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 147 Y C 2.666 178.580 175.900 0.023 0.000 1.165 147 Y CA 1.422 59.538 58.100 0.026 0.000 1.148 147 Y CB -0.361 38.125 38.460 0.042 0.000 0.972 147 Y HN 0.209 nan 8.280 nan 0.000 0.504 148 T N -0.068 114.601 114.554 0.192 0.000 2.684 148 T HA -0.254 4.095 4.350 -0.000 0.000 0.267 148 T C 2.100 176.845 174.700 0.074 0.000 1.036 148 T CA 1.319 63.486 62.100 0.110 0.000 1.148 148 T CB -0.555 68.360 68.868 0.078 0.000 0.863 148 T HN 0.490 nan 8.240 nan 0.000 0.436 149 A N 0.947 123.804 122.820 0.062 0.000 1.930 149 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 149 A C 2.321 179.931 177.584 0.043 0.000 1.175 149 A CA 0.977 53.038 52.037 0.040 0.000 0.627 149 A CB -0.750 18.264 19.000 0.024 0.000 0.815 149 A HN 0.456 nan 8.150 nan 0.000 0.443 150 L N -0.744 120.518 121.223 0.064 0.000 2.046 150 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 150 L C 2.658 179.558 176.870 0.051 0.000 1.077 150 L CA 1.885 56.763 54.840 0.062 0.000 0.747 150 L CB -0.509 41.607 42.059 0.096 0.000 0.896 150 L HN 0.652 nan 8.230 nan 0.000 0.432 151 E N 0.554 120.791 120.200 0.061 0.000 2.085 151 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 151 E C 2.144 178.758 176.600 0.023 0.000 0.994 151 E CA 1.492 57.914 56.400 0.037 0.000 0.801 151 E CB -0.038 29.686 29.700 0.039 0.000 0.743 151 E HN 0.433 nan 8.360 nan 0.000 0.453 152 A N 0.218 123.053 122.820 0.024 0.000 1.969 152 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 152 A C 2.097 179.684 177.584 0.005 0.000 1.169 152 A CA 1.300 53.345 52.037 0.014 0.000 0.635 152 A CB -0.301 18.708 19.000 0.015 0.000 0.810 152 A HN 0.367 nan 8.150 nan 0.000 0.445 153 I N -1.201 119.373 120.570 0.006 0.000 2.729 153 I HA 0.014 4.184 4.170 -0.000 0.000 0.256 153 I C 0.594 176.705 176.117 -0.010 0.000 1.115 153 I CA 0.273 61.569 61.300 -0.006 0.000 1.446 153 I CB -0.078 37.919 38.000 -0.005 0.000 1.176 153 I HN 0.112 nan 8.210 nan 0.000 0.446 154 M N 3.590 123.191 119.600 0.000 0.000 3.442 154 M HA 0.142 4.622 4.480 -0.000 0.000 0.232 154 M C 0.016 176.314 176.300 -0.004 0.000 1.508 154 M CA 0.581 55.880 55.300 -0.002 0.000 1.647 154 M CB -1.340 31.265 32.600 0.009 0.000 1.126 154 M HN 0.149 nan 8.290 nan 0.000 0.557 155 R N 1.240 121.733 120.500 -0.011 0.000 2.649 155 R HA 0.417 4.757 4.340 -0.000 0.000 0.270 155 R C -2.213 174.080 176.300 -0.013 0.000 1.105 155 R CA -1.578 54.515 56.100 -0.012 0.000 1.193 155 R CB -0.538 29.753 30.300 -0.016 0.000 1.120 155 R HN 0.206 nan 8.270 nan 0.000 0.561 156 P HA 0.080 nan 4.420 nan 0.000 0.271 156 P C 0.406 177.697 177.300 -0.015 0.000 1.226 156 P CA 0.433 63.526 63.100 -0.012 0.000 0.765 156 P CB 0.748 32.442 31.700 -0.010 0.000 0.835 157 G N 2.291 111.082 108.800 -0.015 0.000 2.179 157 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 157 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 157 G C 0.460 175.346 174.900 -0.023 0.000 0.977 157 G CA -0.075 45.015 45.100 -0.017 0.000 0.641 157 G HN 0.861 nan 8.290 nan 0.000 0.533 158 A N 1.120 123.925 122.820 -0.025 0.000 2.561 158 A HA 0.534 4.854 4.320 -0.000 0.000 0.251 158 A C 1.179 178.741 177.584 -0.037 0.000 1.062 158 A CA 1.578 53.594 52.037 -0.035 0.000 0.761 158 A CB -0.114 18.865 19.000 -0.034 0.000 0.986 158 A HN 1.913 nan 8.150 nan 0.000 0.510 159 T N 0.383 114.909 114.554 -0.048 0.000 2.816 159 T HA 0.295 4.645 4.350 -0.000 0.000 0.282 159 T C 0.915 175.579 174.700 -0.060 0.000 0.993 159 T CA 0.122 62.194 62.100 -0.048 0.000 0.994 159 T CB 0.684 69.522 68.868 -0.051 0.000 1.025 159 T HN 0.670 nan 8.240 nan 0.000 0.529 160 E N -0.360 119.810 120.200 -0.049 0.000 2.097 160 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 160 E C 1.809 178.352 176.600 -0.095 0.000 1.000 160 E CA 1.086 57.456 56.400 -0.050 0.000 0.804 160 E CB -0.232 29.454 29.700 -0.024 0.000 0.740 160 E HN 0.537 nan 8.360 nan 0.000 0.454 161 L N 1.372 122.520 121.223 -0.126 0.000 2.109 161 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 161 L C 1.491 178.172 176.870 -0.314 0.000 1.086 161 L CA 1.767 56.460 54.840 -0.244 0.000 0.760 161 L CB -0.229 41.700 42.059 -0.216 0.000 0.910 161 L HN -0.057 nan 8.230 nan 0.000 0.437 162 D N -0.165 120.113 120.400 -0.203 0.000 2.123 162 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 162 D C 2.291 178.492 176.300 -0.165 0.000 0.992 162 D CA 1.922 55.816 54.000 -0.176 0.000 0.833 162 D CB -0.107 40.628 40.800 -0.108 0.000 0.954 162 D HN 0.432 nan 8.370 nan 0.000 0.455 163 I N 0.984 121.475 120.570 -0.132 0.000 2.286 163 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 163 I C 2.507 178.555 176.117 -0.116 0.000 1.104 163 I CA 0.878 62.121 61.300 -0.095 0.000 1.397 163 I CB -0.196 37.769 38.000 -0.058 0.000 1.072 163 I HN -0.090 nan 8.210 nan 0.000 0.417 164 A N 0.957 123.676 122.820 -0.167 0.000 1.883 164 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 164 A C 2.323 179.756 177.584 -0.252 0.000 1.186 164 A CA 1.853 53.791 52.037 -0.165 0.000 0.624 164 A CB -0.466 18.431 19.000 -0.173 0.000 0.822 164 A HN 0.310 nan 8.150 nan 0.000 0.444 165 K N -1.009 119.090 120.400 -0.502 0.000 2.031 165 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 165 K C 2.210 178.726 176.600 -0.140 0.000 1.049 165 K CA 0.981 57.014 56.287 -0.424 0.000 0.939 165 K CB -0.487 31.686 32.500 -0.545 0.000 0.717 165 K HN 0.444 nan 8.250 nan 0.000 0.438 166 G N 1.145 109.866 108.800 -0.132 0.000 2.446 166 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 166 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 166 G C 1.610 176.493 174.900 -0.029 0.000 1.168 166 G CA 1.408 46.469 45.100 -0.065 0.000 0.771 166 G HN 0.430 nan 8.290 nan 0.000 0.551 167 S N -0.440 115.242 115.700 -0.029 0.000 2.383 167 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 167 S C 2.169 176.783 174.600 0.023 0.000 1.026 167 S CA 1.608 59.806 58.200 -0.002 0.000 0.981 167 S CB -0.309 62.889 63.200 -0.004 0.000 0.818 167 S HN 0.330 nan 8.310 nan 0.000 0.472 168 Q N 1.929 121.757 119.800 0.046 0.000 2.020 168 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 168 Q C 2.408 178.454 176.000 0.077 0.000 0.982 168 Q CA 2.038 57.897 55.803 0.093 0.000 0.838 168 Q CB -0.943 27.920 28.738 0.209 0.000 0.899 168 Q HN 0.645 nan 8.270 nan 0.000 0.423 169 A N 1.052 123.912 122.820 0.066 0.000 1.883 169 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 169 A C 2.139 179.743 177.584 0.034 0.000 1.186 169 A CA 1.674 53.742 52.037 0.051 0.000 0.624 169 A CB -0.894 18.128 19.000 0.036 0.000 0.822 169 A HN 0.427 nan 8.150 nan 0.000 0.444 170 L N -0.130 121.107 121.223 0.023 0.000 2.017 170 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 170 L C 2.407 179.289 176.870 0.020 0.000 1.073 170 L CA 1.984 56.834 54.840 0.018 0.000 0.745 170 L CB -0.572 41.494 42.059 0.012 0.000 0.894 170 L HN 0.152 nan 8.230 nan 0.000 0.432 171 V N -1.137 118.792 119.914 0.024 0.000 2.427 171 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 171 V C 2.762 178.872 176.094 0.027 0.000 1.051 171 V CA 1.690 64.004 62.300 0.023 0.000 1.048 171 V CB -0.627 31.211 31.823 0.024 0.000 0.666 171 V HN 0.629 nan 8.190 nan 0.000 0.456 172 S N -0.727 114.994 115.700 0.035 0.000 2.399 172 S HA -0.256 4.214 4.470 -0.000 0.000 0.231 172 S C 1.995 176.610 174.600 0.025 0.000 1.022 172 S CA 1.813 60.034 58.200 0.035 0.000 0.983 172 S CB -0.137 63.090 63.200 0.045 0.000 0.803 172 S HN 0.725 nan 8.310 nan 0.000 0.480 173 Q N -0.322 119.492 119.800 0.023 0.000 2.212 173 Q HA 0.189 4.529 4.340 -0.000 0.000 0.199 173 Q C 2.056 178.064 176.000 0.012 0.000 0.950 173 Q CA 0.949 56.762 55.803 0.017 0.000 0.863 173 Q CB -0.036 28.711 28.738 0.016 0.000 0.944 173 Q HN 0.558 nan 8.270 nan 0.000 0.465 174 I N -0.280 120.298 120.570 0.013 0.000 2.406 174 I HA -0.205 3.965 4.170 -0.000 0.000 0.249 174 I C 2.070 178.191 176.117 0.006 0.000 1.122 174 I CA 0.536 61.842 61.300 0.009 0.000 1.431 174 I CB 0.027 38.033 38.000 0.010 0.000 1.087 174 I HN 0.017 nan 8.210 nan 0.000 0.424 175 V N 1.862 121.781 119.914 0.009 0.000 2.287 175 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 175 V C -0.295 175.800 176.094 0.001 0.000 1.053 175 V CA 2.140 64.444 62.300 0.006 0.000 1.027 175 V CB -1.747 30.082 31.823 0.011 0.000 0.646 175 V HN 0.338 nan 8.190 nan 0.000 0.447 176 P HA -0.101 nan 4.420 nan 0.000 0.222 176 P C 1.625 178.920 177.300 -0.007 0.000 1.147 176 P CA 1.249 64.348 63.100 -0.002 0.000 0.790 176 P CB -0.045 31.656 31.700 0.001 0.000 0.780 177 L N -2.109 119.110 121.223 -0.006 0.000 2.341 177 L HA 0.002 4.342 4.340 -0.000 0.000 0.214 177 L C 2.215 179.076 176.870 -0.015 0.000 1.115 177 L CA 0.520 55.355 54.840 -0.010 0.000 0.820 177 L CB -0.574 41.482 42.059 -0.005 0.000 0.944 177 L HN -0.031 nan 8.230 nan 0.000 0.452 178 L N -0.380 120.836 121.223 -0.013 0.000 2.072 178 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 178 L C 2.683 179.538 176.870 -0.025 0.000 1.079 178 L CA 1.226 56.057 54.840 -0.015 0.000 0.752 178 L CB -1.008 41.045 42.059 -0.009 0.000 0.906 178 L HN 0.281 nan 8.230 nan 0.000 0.436 179 G N 0.834 109.618 108.800 -0.027 0.000 2.480 179 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 179 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 179 G C -0.667 174.196 174.900 -0.063 0.000 1.200 179 G CA 0.825 45.902 45.100 -0.039 0.000 0.782 179 G HN 0.306 nan 8.290 nan 0.000 0.554 180 P HA -0.114 nan 4.420 nan 0.000 0.215 180 P C 2.062 179.310 177.300 -0.086 0.000 1.153 180 P CA 1.217 64.269 63.100 -0.079 0.000 0.853 180 P CB -0.147 31.521 31.700 -0.053 0.000 0.788 181 M N -1.169 118.397 119.600 -0.057 0.000 2.086 181 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 181 M C 1.750 178.017 176.300 -0.055 0.000 1.067 181 M CA 1.940 57.212 55.300 -0.046 0.000 1.116 181 M CB -0.495 32.090 32.600 -0.025 0.000 1.348 181 M HN -0.208 nan 8.290 nan 0.000 0.407 182 I N 0.694 121.231 120.570 -0.056 0.000 2.127 182 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 182 I C 2.509 178.569 176.117 -0.095 0.000 1.075 182 I CA 1.958 63.227 61.300 -0.052 0.000 1.334 182 I CB -1.496 36.481 38.000 -0.039 0.000 1.040 182 I HN 0.581 nan 8.210 nan 0.000 0.405 183 Q N 0.634 120.328 119.800 -0.177 0.000 2.084 183 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 183 Q C 1.756 177.482 176.000 -0.456 0.000 0.978 183 Q CA 1.990 57.564 55.803 -0.381 0.000 0.844 183 Q CB 0.037 28.469 28.738 -0.511 0.000 0.898 183 Q HN 0.391 nan 8.270 nan 0.000 0.426 184 D N -0.014 120.225 120.400 -0.269 0.000 2.117 184 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 184 D C 1.878 178.173 176.300 -0.008 0.000 0.987 184 D CA 1.394 55.316 54.000 -0.130 0.000 0.829 184 D CB -0.105 40.655 40.800 -0.068 0.000 0.961 184 D HN 0.385 nan 8.370 nan 0.000 0.460 185 M N -0.348 119.246 119.600 -0.009 0.000 2.200 185 M HA -0.068 4.412 4.480 -0.000 0.000 0.265 185 M C 2.131 178.479 176.300 0.080 0.000 1.066 185 M CA 0.500 55.823 55.300 0.038 0.000 1.127 185 M CB -0.148 32.466 32.600 0.024 0.000 1.379 185 M HN 0.049 nan 8.290 nan 0.000 0.420 186 L N 0.406 121.673 121.223 0.073 0.000 2.012 186 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 186 L C 2.082 179.125 176.870 0.288 0.000 1.073 186 L CA 2.029 56.958 54.840 0.147 0.000 0.748 186 L CB -0.796 41.342 42.059 0.131 0.000 0.891 186 L HN 0.068 nan 8.230 nan 0.000 0.431 187 F N -0.446 119.523 119.950 0.033 0.000 2.095 187 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 187 F C 2.633 178.458 175.800 0.042 0.000 1.104 187 F CA 1.636 59.656 58.000 0.033 0.000 1.232 187 F CB -1.035 37.980 39.000 0.025 0.000 0.987 187 F HN 0.220 nan 8.300 nan 0.000 0.475 188 M N -0.210 119.537 119.600 0.245 0.000 2.082 188 M HA -0.285 4.195 4.480 -0.000 0.000 0.258 188 M C 2.156 178.554 176.300 0.162 0.000 1.069 188 M CA 1.840 57.235 55.300 0.158 0.000 1.102 188 M CB -0.224 32.446 32.600 0.116 0.000 1.336 188 M HN 0.116 nan 8.290 nan 0.000 0.404 189 Q N 0.185 120.082 119.800 0.161 0.000 2.123 189 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 189 Q C 2.158 178.235 176.000 0.129 0.000 0.966 189 Q CA 1.331 57.229 55.803 0.159 0.000 0.845 189 Q CB -0.472 28.339 28.738 0.122 0.000 0.907 189 Q HN 0.599 nan 8.270 nan 0.000 0.439 190 L N 0.314 121.602 121.223 0.108 0.000 2.046 190 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 190 L C 2.677 179.562 176.870 0.025 0.000 1.077 190 L CA 1.165 56.032 54.840 0.046 0.000 0.747 190 L CB -0.367 41.701 42.059 0.014 0.000 0.896 190 L HN 0.189 nan 8.230 nan 0.000 0.432 191 R N -1.045 119.482 120.500 0.045 0.000 2.083 191 R HA -0.226 4.114 4.340 -0.000 0.000 0.237 191 R C 2.398 178.766 176.300 0.115 0.000 1.137 191 R CA 1.689 57.814 56.100 0.042 0.000 0.951 191 R CB -0.618 29.710 30.300 0.047 0.000 0.851 191 R HN 0.354 nan 8.270 nan 0.000 0.434 192 H N 0.831 119.946 119.070 0.076 0.000 2.387 192 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 192 H C 1.883 177.304 175.328 0.154 0.000 1.090 192 H CA 1.716 57.862 56.048 0.163 0.000 1.332 192 H CB -0.133 29.734 29.762 0.174 0.000 1.386 192 H HN 0.039 nan 8.280 nan 0.000 0.516 193 M N -0.501 119.096 119.600 -0.005 0.000 2.200 193 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 193 M C 1.730 178.006 176.300 -0.040 0.000 1.066 193 M CA 1.483 56.726 55.300 -0.095 0.000 1.127 193 M CB -0.260 32.306 32.600 -0.058 0.000 1.379 193 M HN 0.411 nan 8.290 nan 0.000 0.420 194 M N -0.514 119.073 119.600 -0.022 0.000 2.288 194 M HA -0.132 4.348 4.480 -0.000 0.000 0.266 194 M C 1.789 178.050 176.300 -0.065 0.000 1.072 194 M CA 1.199 56.475 55.300 -0.040 0.000 1.132 194 M CB -0.429 32.142 32.600 -0.049 0.000 1.386 194 M HN 0.158 nan 8.290 nan 0.000 0.432 195 E N 0.584 120.732 120.200 -0.087 0.000 2.072 195 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 195 E C 1.708 178.169 176.600 -0.231 0.000 0.985 195 E CA 1.766 58.014 56.400 -0.254 0.000 0.801 195 E CB -0.207 29.229 29.700 -0.441 0.000 0.750 195 E HN 0.303 nan 8.360 nan 0.000 0.452 196 T N 0.337 114.905 114.554 0.024 0.000 2.720 196 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 196 T C 1.668 176.408 174.700 0.067 0.000 1.037 196 T CA 1.621 63.834 62.100 0.188 0.000 1.144 196 T CB -0.328 68.629 68.868 0.149 0.000 0.864 196 T HN 0.197 nan 8.240 nan 0.000 0.444 197 E N 1.201 121.406 120.200 0.008 0.000 2.072 197 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 197 E C 2.222 178.815 176.600 -0.013 0.000 0.985 197 E CA 1.171 57.570 56.400 -0.002 0.000 0.801 197 E CB -0.526 29.165 29.700 -0.015 0.000 0.750 197 E HN 0.430 nan 8.360 nan 0.000 0.452 198 A N 0.039 122.833 122.820 -0.043 0.000 1.858 198 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 198 A C 2.493 180.057 177.584 -0.032 0.000 1.190 198 A CA 1.759 53.766 52.037 -0.051 0.000 0.617 198 A CB -0.937 18.010 19.000 -0.088 0.000 0.827 198 A HN 0.190 nan 8.150 nan 0.000 0.443 199 V N 0.676 120.568 119.914 -0.037 0.000 2.392 199 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 199 V C 2.353 178.476 176.094 0.048 0.000 1.059 199 V CA 2.340 64.646 62.300 0.011 0.000 1.051 199 V CB -1.242 30.611 31.823 0.050 0.000 0.658 199 V HN 0.644 nan 8.190 nan 0.000 0.455 200 N N 0.472 119.203 118.700 0.052 0.000 2.018 200 N HA -0.184 4.556 4.740 -0.000 0.000 0.196 200 N C 1.818 177.349 175.510 0.035 0.000 1.043 200 N CA 1.999 55.081 53.050 0.053 0.000 0.856 200 N CB -0.481 38.032 38.487 0.045 0.000 1.042 200 N HN 0.444 nan 8.380 nan 0.000 0.423 201 A N -0.512 122.320 122.820 0.020 0.000 1.969 201 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 201 A C 2.252 179.845 177.584 0.014 0.000 1.169 201 A CA 1.695 53.740 52.037 0.014 0.000 0.635 201 A CB -1.143 17.860 19.000 0.005 0.000 0.810 201 A HN 0.428 nan 8.150 nan 0.000 0.445 202 G N -0.624 108.183 108.800 0.012 0.000 2.443 202 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 202 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 202 G C 1.405 176.319 174.900 0.024 0.000 1.131 202 G CA 0.892 46.000 45.100 0.012 0.000 0.775 202 G HN 0.646 nan 8.290 nan 0.000 0.547 203 E N -0.270 119.951 120.200 0.035 0.000 2.158 203 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 203 E C 2.480 179.103 176.600 0.037 0.000 0.982 203 E CA 0.467 56.894 56.400 0.044 0.000 0.823 203 E CB 0.004 29.741 29.700 0.060 0.000 0.766 203 E HN 0.496 nan 8.360 nan 0.000 0.468 204 R N 0.300 120.818 120.500 0.032 0.000 2.246 204 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 204 R C 1.826 178.138 176.300 0.021 0.000 0.984 204 R CA 0.872 56.989 56.100 0.027 0.000 1.015 204 R CB 0.160 30.475 30.300 0.026 0.000 0.930 204 R HN 0.034 nan 8.270 nan 0.000 0.475 205 A N 0.893 123.725 122.820 0.018 0.000 1.887 205 A HA 0.217 4.537 4.320 -0.000 0.000 0.212 205 A C 2.270 179.863 177.584 0.015 0.000 1.198 205 A CA 0.837 52.883 52.037 0.014 0.000 0.628 205 A CB -0.452 18.554 19.000 0.010 0.000 0.847 205 A HN 0.428 nan 8.150 nan 0.000 0.449 206 A N -1.775 121.056 122.820 0.018 0.000 2.014 206 A HA 0.346 4.666 4.320 -0.000 0.000 0.218 206 A C 2.241 179.838 177.584 0.021 0.000 1.163 206 A CA 1.679 53.727 52.037 0.019 0.000 0.652 206 A CB -0.904 18.108 19.000 0.021 0.000 0.808 206 A HN 1.828 nan 8.150 nan 0.000 0.449 207 G N -0.372 108.443 108.800 0.024 0.000 2.990 207 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.225 207 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.225 207 G C 0.686 175.605 174.900 0.031 0.000 1.304 207 G CA 1.370 46.486 45.100 0.026 0.000 0.816 207 G HN 1.021 nan 8.290 nan 0.000 0.528 208 K N 1.723 122.141 120.400 0.030 0.000 2.762 208 K HA 0.773 5.093 4.320 -0.000 0.000 0.292 208 K C -2.424 174.201 176.600 0.041 0.000 1.008 208 K CA -1.638 54.670 56.287 0.034 0.000 1.142 208 K CB -1.106 31.411 32.500 0.029 0.000 1.490 208 K HN 0.310 nan 8.250 nan 0.000 0.581 209 P HA 0.065 nan 4.420 nan 0.000 0.270 209 P C -0.587 176.742 177.300 0.048 0.000 1.227 209 P CA -0.004 63.128 63.100 0.053 0.000 0.788 209 P CB 0.298 32.029 31.700 0.052 0.000 0.926 210 L N 1.389 122.646 121.223 0.056 0.000 2.365 210 L HA 0.500 4.840 4.340 -0.000 0.000 0.267 210 L C -2.062 174.834 176.870 0.043 0.000 1.033 210 L CA -2.256 52.611 54.840 0.045 0.000 0.802 210 L CB 0.634 42.721 42.059 0.048 0.000 1.267 210 L HN 0.218 nan 8.230 nan 0.000 0.457 211 P HA 0.188 nan 4.420 nan 0.000 0.271 211 P C 0.596 177.915 177.300 0.031 0.000 1.218 211 P CA 0.321 63.437 63.100 0.027 0.000 0.780 211 P CB 0.862 32.569 31.700 0.013 0.000 0.901 212 G N 0.932 109.754 108.800 0.037 0.000 2.304 212 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.252 212 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.252 212 G C 0.565 175.515 174.900 0.084 0.000 1.014 212 G CA 0.170 45.295 45.100 0.042 0.000 0.619 212 G HN 0.889 nan 8.290 nan 0.000 0.525 213 A N -0.034 122.845 122.820 0.098 0.000 2.547 213 A HA 0.589 4.909 4.320 -0.000 0.000 0.233 213 A C 0.676 178.365 177.584 0.175 0.000 1.067 213 A CA 1.627 53.754 52.037 0.150 0.000 0.763 213 A CB 0.204 19.278 19.000 0.124 0.000 1.007 213 A HN 1.283 nan 8.150 nan 0.000 0.506 214 R N 0.545 121.191 120.500 0.242 0.000 2.604 214 R HA 0.381 4.721 4.340 -0.000 0.000 0.281 214 R C -0.894 175.500 176.300 0.156 0.000 1.020 214 R CA -0.676 55.554 56.100 0.217 0.000 0.899 214 R CB 1.229 31.719 30.300 0.317 0.000 1.205 214 R HN 0.776 nan 8.270 nan 0.000 0.450 215 Q N 2.905 122.760 119.800 0.092 0.000 2.244 215 Q HA 0.211 4.551 4.340 -0.000 0.000 0.276 215 Q C -1.000 174.993 176.000 -0.012 0.000 1.122 215 Q CA 0.190 56.016 55.803 0.039 0.000 0.920 215 Q CB 0.612 29.363 28.738 0.022 0.000 1.186 215 Q HN 0.408 nan 8.270 nan 0.000 0.393 216 V N 0.996 120.878 119.914 -0.052 0.000 2.962 216 V HA 0.766 4.886 4.120 -0.000 0.000 0.313 216 V C -0.331 175.685 176.094 -0.131 0.000 1.099 216 V CA -0.890 61.317 62.300 -0.156 0.000 0.971 216 V CB 2.348 33.976 31.823 -0.326 0.000 1.028 216 V HN 0.617 nan 8.190 nan 0.000 0.430 217 T N 2.486 116.937 114.554 -0.171 0.000 2.795 217 T HA 0.704 5.054 4.350 -0.000 0.000 0.282 217 T C -0.414 174.176 174.700 -0.183 0.000 0.980 217 T CA -0.336 61.679 62.100 -0.142 0.000 1.012 217 T CB 1.398 70.188 68.868 -0.131 0.000 0.936 217 T HN 0.738 nan 8.240 nan 0.000 0.457 218 V N 2.280 122.104 119.914 -0.150 0.000 2.540 218 V HA 0.861 4.981 4.120 -0.000 0.000 0.302 218 V C -0.191 175.789 176.094 -0.191 0.000 1.035 218 V CA -0.889 61.289 62.300 -0.203 0.000 0.873 218 V CB 1.620 33.337 31.823 -0.177 0.000 0.992 218 V HN 1.085 nan 8.190 nan 0.000 0.428 219 A N 4.152 126.809 122.820 -0.272 0.000 2.393 219 A HA 0.925 5.245 4.320 -0.000 0.000 0.306 219 A C -1.391 175.988 177.584 -0.342 0.000 1.050 219 A CA -0.387 51.528 52.037 -0.204 0.000 0.724 219 A CB 1.160 20.078 19.000 -0.137 0.000 1.248 219 A HN 0.587 nan 8.150 nan 0.000 0.424 220 F N 1.066 121.009 119.950 -0.011 0.000 2.469 220 F HA 0.659 5.186 4.527 -0.000 0.000 0.332 220 F C 0.669 176.453 175.800 -0.027 0.000 1.103 220 F CA -0.246 57.752 58.000 -0.004 0.000 0.979 220 F CB 2.371 41.377 39.000 0.010 0.000 1.137 220 F HN 0.688 nan 8.300 nan 0.000 0.463 221 A N 2.550 125.454 122.820 0.140 0.000 2.311 221 A HA 0.574 4.894 4.320 -0.000 0.000 0.306 221 A C -1.536 176.075 177.584 0.045 0.000 1.189 221 A CA -0.522 51.539 52.037 0.040 0.000 0.791 221 A CB 0.787 19.760 19.000 -0.044 0.000 1.172 221 A HN 0.691 nan 8.150 nan 0.000 0.481 222 D N 2.435 122.849 120.400 0.024 0.000 2.502 222 D HA 0.510 5.150 4.640 -0.000 0.000 0.249 222 D C -0.614 175.675 176.300 -0.019 0.000 1.092 222 D CA -0.264 53.746 54.000 0.016 0.000 0.839 222 D CB 1.003 41.811 40.800 0.013 0.000 1.264 222 D HN 0.445 nan 8.370 nan 0.000 0.511 223 L N 3.322 124.539 121.223 -0.009 0.000 2.416 223 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 223 L C 0.541 177.373 176.870 -0.063 0.000 1.161 223 L CA -0.721 54.106 54.840 -0.021 0.000 0.845 223 L CB 0.942 43.026 42.059 0.042 0.000 1.119 223 L HN 0.351 nan 8.230 nan 0.000 0.464 224 V N 0.429 120.256 119.914 -0.145 0.000 2.881 224 V HA 0.380 4.500 4.120 -0.000 0.000 0.303 224 V C 1.067 177.017 176.094 -0.240 0.000 1.070 224 V CA -0.108 62.036 62.300 -0.260 0.000 1.074 224 V CB 1.206 32.700 31.823 -0.548 0.000 1.012 224 V HN 0.863 nan 8.190 nan 0.000 0.482 225 G N 3.003 111.716 108.800 -0.145 0.000 3.262 225 G HA2 0.367 4.327 3.960 -0.000 0.000 0.228 225 G HA3 0.367 4.327 3.960 -0.000 0.000 0.228 225 G C -0.055 174.931 174.900 0.143 0.000 1.197 225 G CA 0.166 45.282 45.100 0.028 0.000 0.819 225 G HN 1.024 nan 8.290 nan 0.000 0.531 226 F N -1.307 118.655 119.950 0.021 0.000 2.613 226 F HA 0.686 5.213 4.527 -0.000 0.000 0.310 226 F C 0.254 176.067 175.800 0.022 0.000 1.085 226 F CA -1.408 56.604 58.000 0.019 0.000 0.945 226 F CB 0.521 39.529 39.000 0.014 0.000 1.298 226 F HN 0.006 nan 8.300 nan 0.000 0.455 227 T N -1.534 113.124 114.554 0.173 0.000 2.698 227 T HA 0.195 4.545 4.350 -0.000 0.000 0.295 227 T C 0.680 175.475 174.700 0.159 0.000 1.007 227 T CA -0.055 62.103 62.100 0.096 0.000 0.980 227 T CB 0.898 69.814 68.868 0.081 0.000 1.036 227 T HN 0.856 nan 8.240 nan 0.000 0.526 228 Q N -0.569 119.289 119.800 0.096 0.000 2.224 228 Q HA 0.135 4.475 4.340 -0.000 0.000 0.203 228 Q C 2.108 178.174 176.000 0.110 0.000 0.970 228 Q CA 0.943 56.809 55.803 0.104 0.000 0.865 228 Q CB -0.349 28.424 28.738 0.058 0.000 0.922 228 Q HN 0.594 nan 8.270 nan 0.000 0.445 229 L N -1.357 119.920 121.223 0.090 0.000 2.376 229 L HA 0.017 4.357 4.340 -0.000 0.000 0.219 229 L C 1.057 177.969 176.870 0.071 0.000 1.133 229 L CA 0.801 55.682 54.840 0.067 0.000 0.816 229 L CB -0.049 42.038 42.059 0.048 0.000 0.933 229 L HN 0.522 nan 8.230 nan 0.000 0.449 230 G N -0.224 108.648 108.800 0.119 0.000 2.148 230 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.203 230 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.203 230 G C 0.068 175.010 174.900 0.070 0.000 0.993 230 G CA -0.430 44.717 45.100 0.078 0.000 0.661 230 G HN 0.347 nan 8.290 nan 0.000 0.518 231 E N -0.345 119.919 120.200 0.107 0.000 2.345 231 E HA 0.465 4.815 4.350 -0.000 0.000 0.259 231 E C 0.249 176.931 176.600 0.136 0.000 1.117 231 E CA -0.576 55.877 56.400 0.089 0.000 0.913 231 E CB 1.838 31.578 29.700 0.066 0.000 1.057 231 E HN 0.084 nan 8.360 nan 0.000 0.432 232 V N 2.333 122.307 119.914 0.100 0.000 2.461 232 V HA 0.045 4.165 4.120 -0.000 0.000 0.275 232 V C 0.093 176.242 176.094 0.092 0.000 1.047 232 V CA -0.467 61.902 62.300 0.115 0.000 0.955 232 V CB 1.189 33.062 31.823 0.083 0.000 0.988 232 V HN 0.356 nan 8.190 nan 0.000 0.471 233 V N 5.819 125.792 119.914 0.097 0.000 2.405 233 V HA 0.178 4.298 4.120 -0.000 0.000 0.264 233 V C 0.854 176.982 176.094 0.056 0.000 1.048 233 V CA -0.118 62.217 62.300 0.058 0.000 0.966 233 V CB 0.989 32.834 31.823 0.038 0.000 1.015 233 V HN 1.076 nan 8.190 nan 0.000 0.477 234 S N 4.682 120.412 115.700 0.050 0.000 2.600 234 S HA 0.438 4.908 4.470 -0.000 0.000 0.265 234 S C 1.410 176.044 174.600 0.058 0.000 1.325 234 S CA -0.017 58.221 58.200 0.062 0.000 1.002 234 S CB 1.472 64.712 63.200 0.065 0.000 0.921 234 S HN 0.945 nan 8.310 nan 0.000 0.554 235 A N 1.077 123.939 122.820 0.071 0.000 1.902 235 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 235 A C 2.179 179.803 177.584 0.067 0.000 1.181 235 A CA 1.558 53.606 52.037 0.019 0.000 0.623 235 A CB -1.145 17.832 19.000 -0.037 0.000 0.818 235 A HN 1.044 nan 8.150 nan 0.000 0.443 236 E N -0.869 119.410 120.200 0.130 0.000 2.274 236 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 236 E C 1.703 178.399 176.600 0.159 0.000 0.996 236 E CA 1.060 57.568 56.400 0.179 0.000 0.840 236 E CB -0.192 29.652 29.700 0.240 0.000 0.772 236 E HN 0.620 nan 8.360 nan 0.000 0.491 237 E N 0.858 121.107 120.200 0.081 0.000 2.170 237 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 237 E C 2.185 178.824 176.600 0.066 0.000 0.981 237 E CA 0.333 56.754 56.400 0.036 0.000 0.830 237 E CB 0.092 29.789 29.700 -0.006 0.000 0.775 237 E HN 0.385 nan 8.360 nan 0.000 0.470 238 L N -0.120 121.140 121.223 0.060 0.000 2.141 238 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 238 L C 2.528 179.441 176.870 0.072 0.000 1.094 238 L CA 1.120 55.992 54.840 0.054 0.000 0.763 238 L CB -0.570 41.505 42.059 0.027 0.000 0.908 238 L HN 0.165 nan 8.230 nan 0.000 0.437 239 G N -0.973 107.882 108.800 0.091 0.000 2.459 239 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 239 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 239 G C 1.419 176.354 174.900 0.058 0.000 1.183 239 G CA 0.699 45.846 45.100 0.078 0.000 0.776 239 G HN 0.421 nan 8.290 nan 0.000 0.552 240 H N 0.028 119.105 119.070 0.012 0.000 2.421 240 H HA 0.066 4.622 4.556 -0.000 0.000 0.298 240 H C 2.676 177.993 175.328 -0.017 0.000 1.087 240 H CA 0.939 56.983 56.048 -0.007 0.000 1.330 240 H CB 0.105 29.848 29.762 -0.031 0.000 1.388 240 H HN 0.268 nan 8.280 nan 0.000 0.526 241 L N 0.058 121.337 121.223 0.094 0.000 2.179 241 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 241 L C 2.900 179.859 176.870 0.148 0.000 1.096 241 L CA 0.522 55.390 54.840 0.047 0.000 0.779 241 L CB -0.277 41.793 42.059 0.019 0.000 0.922 241 L HN 0.188 nan 8.230 nan 0.000 0.443 242 A N 0.587 123.477 122.820 0.116 0.000 1.883 242 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 242 A C 2.394 180.054 177.584 0.125 0.000 1.186 242 A CA 1.918 54.027 52.037 0.119 0.000 0.624 242 A CB -1.323 17.726 19.000 0.082 0.000 0.822 242 A HN 0.426 nan 8.150 nan 0.000 0.444 243 G N -1.129 107.724 108.800 0.087 0.000 2.432 243 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 243 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 243 G C 1.735 176.705 174.900 0.117 0.000 1.135 243 G CA 1.086 46.234 45.100 0.080 0.000 0.767 243 G HN 0.539 nan 8.290 nan 0.000 0.550 244 R N -0.817 119.770 120.500 0.145 0.000 2.119 244 R HA 0.165 4.505 4.340 -0.000 0.000 0.222 244 R C 2.344 178.835 176.300 0.319 0.000 1.088 244 R CA 0.468 56.697 56.100 0.215 0.000 0.984 244 R CB -0.307 30.083 30.300 0.149 0.000 0.884 244 R HN 0.333 nan 8.270 nan 0.000 0.447 245 L N 0.183 121.593 121.223 0.312 0.000 2.093 245 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 245 L C 2.043 178.942 176.870 0.049 0.000 1.085 245 L CA 2.018 56.944 54.840 0.142 0.000 0.755 245 L CB -0.580 41.553 42.059 0.124 0.000 0.904 245 L HN 0.193 nan 8.230 nan 0.000 0.435 246 A N -0.524 122.383 122.820 0.145 0.000 1.877 246 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 246 A C 2.365 180.075 177.584 0.210 0.000 1.186 246 A CA 1.491 53.684 52.037 0.259 0.000 0.620 246 A CB -1.624 17.580 19.000 0.340 0.000 0.822 246 A HN 0.503 nan 8.150 nan 0.000 0.443 247 G N -0.096 108.798 108.800 0.157 0.000 2.469 247 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 247 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 247 G C 1.509 176.446 174.900 0.062 0.000 1.150 247 G CA 1.402 46.575 45.100 0.120 0.000 0.763 247 G HN 0.538 nan 8.290 nan 0.000 0.561 248 L N 1.229 122.464 121.223 0.021 0.000 2.027 248 L HA 0.269 4.609 4.340 -0.000 0.000 0.206 248 L C 3.034 179.815 176.870 -0.147 0.000 1.074 248 L CA 2.156 56.962 54.840 -0.055 0.000 0.745 248 L CB -0.813 41.185 42.059 -0.101 0.000 0.898 248 L HN 0.216 nan 8.230 nan 0.000 0.433 249 A N -0.255 122.401 122.820 -0.273 0.000 1.933 249 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 249 A C 2.561 179.882 177.584 -0.437 0.000 1.175 249 A CA 1.775 53.496 52.037 -0.526 0.000 0.628 249 A CB -0.709 17.671 19.000 -1.032 0.000 0.814 249 A HN 0.534 nan 8.150 nan 0.000 0.444 250 R N -0.449 119.952 120.500 -0.164 0.000 2.115 250 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 250 R C 1.008 177.350 176.300 0.069 0.000 1.111 250 R CA 1.688 57.887 56.100 0.165 0.000 0.976 250 R CB -0.281 30.213 30.300 0.323 0.000 0.870 250 R HN 0.438 nan 8.270 nan 0.000 0.445 251 D N 0.613 121.021 120.400 0.013 0.000 2.149 251 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 251 D C 1.856 178.146 176.300 -0.018 0.000 0.972 251 D CA 0.965 54.969 54.000 0.006 0.000 0.835 251 D CB -0.015 40.787 40.800 0.002 0.000 0.966 251 D HN 0.285 nan 8.370 nan 0.000 0.476 252 L N 0.183 121.372 121.223 -0.057 0.000 2.492 252 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 252 L C 0.606 177.440 176.870 -0.060 0.000 1.132 252 L CA 0.501 55.301 54.840 -0.067 0.000 0.850 252 L CB -0.064 41.935 42.059 -0.100 0.000 0.966 252 L HN -0.193 nan 8.230 nan 0.000 0.454 253 T N 1.414 115.940 114.554 -0.047 0.000 2.743 253 T HA 0.613 4.963 4.350 -0.000 0.000 0.293 253 T C -0.031 174.684 174.700 0.025 0.000 0.945 253 T CA -0.264 61.827 62.100 -0.015 0.000 1.030 253 T CB 1.394 70.277 68.868 0.025 0.000 0.912 253 T HN 0.243 nan 8.240 nan 0.000 0.483 254 A N 5.595 128.417 122.820 0.003 0.000 2.475 254 A HA 0.837 5.157 4.320 -0.000 0.000 0.301 254 A C -2.857 174.717 177.584 -0.016 0.000 1.059 254 A CA -2.157 49.886 52.037 0.010 0.000 0.710 254 A CB 0.976 19.975 19.000 -0.001 0.000 1.288 254 A HN 0.483 nan 8.150 nan 0.000 0.408 255 P HA 0.091 nan 4.420 nan 0.000 0.264 255 P C -1.809 175.440 177.300 -0.084 0.000 1.179 255 P CA -0.288 62.788 63.100 -0.040 0.000 0.763 255 P CB 0.169 31.880 31.700 0.018 0.000 0.806 256 P HA 0.039 nan 4.420 nan 0.000 0.255 256 P C -0.480 176.501 177.300 -0.531 0.000 1.357 256 P CA 0.302 63.219 63.100 -0.306 0.000 0.839 256 P CB 0.230 31.752 31.700 -0.296 0.000 1.356 257 V N 1.394 121.113 119.914 -0.324 0.000 2.530 257 V HA 0.119 4.239 4.120 -0.000 0.000 0.282 257 V C 0.207 176.211 176.094 -0.149 0.000 1.048 257 V CA -0.374 61.749 62.300 -0.295 0.000 0.997 257 V CB 0.449 32.186 31.823 -0.144 0.000 0.987 257 V HN 0.140 nan 8.190 nan 0.000 0.477 258 W N 4.700 125.993 121.300 -0.011 0.000 2.349 258 W HA 0.376 5.036 4.660 -0.000 0.000 0.309 258 W C -0.274 176.309 176.519 0.107 0.000 1.083 258 W CA -1.603 55.767 57.345 0.042 0.000 1.224 258 W CB 1.120 30.597 29.460 0.029 0.000 1.256 258 W HN 0.497 nan 8.180 nan 0.000 0.461 259 F N 5.867 125.925 119.950 0.180 0.000 2.405 259 F HA 0.225 4.752 4.527 -0.000 0.000 0.358 259 F C 0.650 176.507 175.800 0.095 0.000 1.151 259 F CA -1.074 56.980 58.000 0.089 0.000 1.161 259 F CB 0.242 39.277 39.000 0.058 0.000 1.245 259 F HN 0.171 nan 8.300 nan 0.000 0.545 260 I N 4.381 125.102 120.570 0.252 0.000 2.206 260 I HA -0.046 4.124 4.170 -0.000 0.000 0.239 260 I C 0.674 176.727 176.117 -0.105 0.000 1.078 260 I CA 1.207 62.549 61.300 0.070 0.000 1.367 260 I CB -0.865 37.218 38.000 0.138 0.000 1.078 260 I HN 0.535 nan 8.210 nan 0.000 0.413 261 K N -0.784 119.609 120.400 -0.012 0.000 2.607 261 K HA 0.381 4.701 4.320 -0.000 0.000 0.287 261 K C -1.263 175.440 176.600 0.172 0.000 0.996 261 K CA -0.689 55.571 56.287 -0.045 0.000 0.876 261 K CB 1.232 33.724 32.500 -0.014 0.000 1.496 261 K HN -0.207 nan 8.250 nan 0.000 0.415 262 T N 2.190 116.821 114.554 0.129 0.000 2.756 262 T HA 0.493 4.843 4.350 -0.000 0.000 0.290 262 T C -0.151 174.630 174.700 0.135 0.000 0.985 262 T CA -0.708 61.514 62.100 0.203 0.000 0.955 262 T CB -0.130 68.858 68.868 0.201 0.000 0.930 262 T HN 0.513 nan 8.240 nan 0.000 0.451 263 I N 0.441 121.102 120.570 0.152 0.000 2.410 263 I HA 0.768 4.938 4.170 -0.000 0.000 0.286 263 I C 0.885 177.052 176.117 0.083 0.000 1.009 263 I CA -0.748 60.619 61.300 0.112 0.000 1.111 263 I CB 1.074 39.150 38.000 0.127 0.000 1.262 263 I HN 0.771 nan 8.210 nan 0.000 0.443 264 G N 5.990 114.825 108.800 0.059 0.000 2.591 264 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.298 264 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.298 264 G C 0.136 175.067 174.900 0.052 0.000 1.195 264 G CA 0.817 45.939 45.100 0.038 0.000 0.989 264 G HN 1.074 nan 8.290 nan 0.000 0.551 265 D N 1.209 121.636 120.400 0.046 0.000 2.738 265 D HA 0.650 5.290 4.640 -0.000 0.000 0.246 265 D C 0.405 176.745 176.300 0.067 0.000 1.270 265 D CA 0.838 54.874 54.000 0.061 0.000 0.833 265 D CB 0.079 40.907 40.800 0.047 0.000 1.040 265 D HN 1.239 nan 8.370 nan 0.000 0.487 266 A N 0.014 122.887 122.820 0.088 0.000 2.454 266 A HA 0.716 5.035 4.320 -0.000 0.000 0.302 266 A C -0.512 177.177 177.584 0.176 0.000 1.079 266 A CA -0.791 51.316 52.037 0.117 0.000 0.731 266 A CB 1.999 21.070 19.000 0.119 0.000 1.299 266 A HN 0.389 nan 8.150 nan 0.000 0.413 267 V N -0.380 119.637 119.914 0.171 0.000 2.581 267 V HA 0.809 4.929 4.120 -0.000 0.000 0.303 267 V C -0.166 176.048 176.094 0.201 0.000 1.041 267 V CA -0.790 61.635 62.300 0.209 0.000 0.907 267 V CB 1.545 33.389 31.823 0.034 0.000 0.994 267 V HN 1.026 nan 8.190 nan 0.000 0.442 268 M N 5.310 125.034 119.600 0.207 0.000 2.149 268 M HA 0.632 5.112 4.480 -0.000 0.000 0.342 268 M C -1.795 174.503 176.300 -0.003 0.000 1.068 268 M CA -0.527 54.727 55.300 -0.077 0.000 0.991 268 M CB 1.140 33.671 32.600 -0.115 0.000 1.596 268 M HN 0.759 nan 8.290 nan 0.000 0.439 269 L N 5.662 126.802 121.223 -0.139 0.000 2.346 269 L HA 0.781 5.121 4.340 -0.000 0.000 0.276 269 L C -1.040 175.747 176.870 -0.139 0.000 1.006 269 L CA -1.058 53.748 54.840 -0.057 0.000 0.817 269 L CB 1.960 43.968 42.059 -0.085 0.000 1.272 269 L HN 0.441 nan 8.230 nan 0.000 0.421 270 V N 1.325 121.203 119.914 -0.060 0.000 2.735 270 V HA 0.551 4.671 4.120 -0.000 0.000 0.310 270 V C -0.770 175.190 176.094 -0.223 0.000 1.061 270 V CA -0.549 61.655 62.300 -0.159 0.000 0.913 270 V CB 2.413 34.059 31.823 -0.295 0.000 1.005 270 V HN 0.933 nan 8.190 nan 0.000 0.428 271 C N 5.311 124.379 119.300 -0.388 0.000 2.880 271 C HA 0.542 5.002 4.460 -0.000 0.000 0.320 271 C C -1.710 172.976 174.990 -0.506 0.000 1.176 271 C CA -1.193 57.457 59.018 -0.613 0.000 1.390 271 C CB 2.383 29.870 27.740 -0.422 0.000 1.846 271 C HN 0.761 nan 8.230 nan 0.000 0.478 272 P HA -0.037 nan 4.420 nan 0.000 0.215 272 P C -0.405 176.776 177.300 -0.198 0.000 1.157 272 P CA 1.651 64.578 63.100 -0.288 0.000 0.874 272 P CB 0.142 31.695 31.700 -0.244 0.000 0.790 273 D N -1.927 118.348 120.400 -0.209 0.000 2.248 273 D HA 0.147 4.786 4.640 -0.000 0.000 0.246 273 D C -1.639 174.583 176.300 -0.130 0.000 1.027 273 D CA -1.839 52.081 54.000 -0.134 0.000 0.853 273 D CB 1.437 42.175 40.800 -0.104 0.000 1.243 273 D HN 0.054 nan 8.370 nan 0.000 0.462 274 P HA -0.065 nan 4.420 nan 0.000 0.220 274 P C 1.066 178.336 177.300 -0.050 0.000 1.152 274 P CA 0.639 63.693 63.100 -0.077 0.000 0.812 274 P CB 0.433 32.106 31.700 -0.045 0.000 0.792 275 A N 1.566 124.395 122.820 0.016 0.000 1.851 275 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 275 A C -0.052 177.593 177.584 0.101 0.000 1.195 275 A CA 2.193 54.306 52.037 0.127 0.000 0.622 275 A CB -2.264 16.819 19.000 0.138 0.000 0.831 275 A HN 0.219 nan 8.150 nan 0.000 0.444 276 P HA -0.037 nan 4.420 nan 0.000 0.223 276 P C 1.530 178.798 177.300 -0.053 0.000 1.151 276 P CA 0.578 63.667 63.100 -0.019 0.000 0.787 276 P CB -0.009 31.647 31.700 -0.073 0.000 0.788 277 L N -1.242 119.926 121.223 -0.091 0.000 2.068 277 L HA -0.018 4.322 4.340 -0.000 0.000 0.204 277 L C 2.248 179.044 176.870 -0.123 0.000 1.076 277 L CA 1.212 55.977 54.840 -0.125 0.000 0.753 277 L CB -0.792 41.171 42.059 -0.161 0.000 0.910 277 L HN -0.187 nan 8.230 nan 0.000 0.439 278 L N -0.131 120.999 121.223 -0.155 0.000 2.043 278 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 278 L C 2.373 179.156 176.870 -0.145 0.000 1.075 278 L CA 1.678 56.361 54.840 -0.263 0.000 0.752 278 L CB -0.818 40.885 42.059 -0.593 0.000 0.891 278 L HN 0.475 nan 8.230 nan 0.000 0.432 279 D N -0.545 119.872 120.400 0.029 0.000 2.104 279 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 279 D C 1.904 178.207 176.300 0.005 0.000 0.994 279 D CA 2.008 56.080 54.000 0.120 0.000 0.830 279 D CB 0.246 41.124 40.800 0.131 0.000 0.959 279 D HN 0.311 nan 8.370 nan 0.000 0.452 280 T N 0.183 114.710 114.554 -0.044 0.000 2.777 280 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 280 T C 2.182 176.823 174.700 -0.098 0.000 1.040 280 T CA 0.603 62.657 62.100 -0.075 0.000 1.141 280 T CB -0.184 68.629 68.868 -0.092 0.000 0.868 280 T HN -0.013 nan 8.240 nan 0.000 0.444 281 V N 1.497 121.346 119.914 -0.109 0.000 2.343 281 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 281 V C 2.477 178.507 176.094 -0.108 0.000 1.051 281 V CA 1.444 63.673 62.300 -0.119 0.000 1.036 281 V CB -0.648 31.098 31.823 -0.127 0.000 0.654 281 V HN 0.417 nan 8.190 nan 0.000 0.451 282 L N -0.270 120.899 121.223 -0.091 0.000 2.017 282 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 282 L C 2.612 179.444 176.870 -0.064 0.000 1.073 282 L CA 1.821 56.619 54.840 -0.070 0.000 0.745 282 L CB -0.518 41.526 42.059 -0.025 0.000 0.894 282 L HN 0.281 nan 8.230 nan 0.000 0.432 283 K N 0.393 120.758 120.400 -0.057 0.000 2.103 283 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 283 K C 1.926 178.469 176.600 -0.095 0.000 1.048 283 K CA 1.451 57.699 56.287 -0.065 0.000 0.930 283 K CB -0.397 32.069 32.500 -0.058 0.000 0.716 283 K HN 0.070 nan 8.250 nan 0.000 0.444 284 L N -0.074 121.079 121.223 -0.116 0.000 2.027 284 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 284 L C 1.919 178.690 176.870 -0.165 0.000 1.074 284 L CA 1.412 56.159 54.840 -0.156 0.000 0.745 284 L CB -0.457 41.499 42.059 -0.173 0.000 0.898 284 L HN 0.041 nan 8.230 nan 0.000 0.433 285 V N -0.300 119.534 119.914 -0.134 0.000 2.490 285 V HA -0.276 3.844 4.120 -0.000 0.000 0.250 285 V C 2.467 178.495 176.094 -0.111 0.000 1.061 285 V CA 1.969 64.195 62.300 -0.123 0.000 1.064 285 V CB -0.665 31.099 31.823 -0.098 0.000 0.670 285 V HN 0.511 nan 8.190 nan 0.000 0.461 286 E N 0.107 120.250 120.200 -0.095 0.000 2.072 286 E HA -0.137 4.212 4.350 -0.000 0.000 0.190 286 E C 2.228 178.780 176.600 -0.079 0.000 0.982 286 E CA 1.486 57.841 56.400 -0.074 0.000 0.803 286 E CB -0.137 29.528 29.700 -0.057 0.000 0.755 286 E HN 0.621 nan 8.360 nan 0.000 0.453 287 V N -1.324 118.530 119.914 -0.100 0.000 3.041 287 V HA -0.076 4.044 4.120 -0.000 0.000 0.260 287 V C 1.967 177.982 176.094 -0.133 0.000 1.105 287 V CA 0.754 62.996 62.300 -0.096 0.000 1.125 287 V CB -0.049 31.719 31.823 -0.092 0.000 0.730 287 V HN 0.004 nan 8.190 nan 0.000 0.479 288 V N 0.697 120.485 119.914 -0.209 0.000 2.407 288 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 288 V C 2.573 178.611 176.094 -0.094 0.000 1.041 288 V CA 2.266 64.392 62.300 -0.290 0.000 1.040 288 V CB -0.735 30.850 31.823 -0.396 0.000 0.671 288 V HN 0.491 nan 8.190 nan 0.000 0.455 289 D N 0.610 120.964 120.400 -0.076 0.000 2.182 289 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 289 D C 2.266 178.564 176.300 -0.005 0.000 0.986 289 D CA 2.094 56.075 54.000 -0.032 0.000 0.847 289 D CB -0.105 40.672 40.800 -0.039 0.000 0.942 289 D HN 0.638 nan 8.370 nan 0.000 0.467 290 T N -2.709 111.840 114.554 -0.008 0.000 3.065 290 T HA -0.008 4.342 4.350 -0.000 0.000 0.252 290 T C 0.570 175.294 174.700 0.040 0.000 1.099 290 T CA -0.264 61.842 62.100 0.009 0.000 1.063 290 T CB 0.433 69.299 68.868 -0.003 0.000 0.948 290 T HN -0.227 nan 8.240 nan 0.000 0.506 291 D N 2.541 122.988 120.400 0.078 0.000 2.317 291 D HA 0.249 4.888 4.640 -0.000 0.000 0.234 291 D C 0.504 176.909 176.300 0.175 0.000 1.112 291 D CA -0.604 53.492 54.000 0.161 0.000 0.840 291 D CB 0.977 41.968 40.800 0.317 0.000 1.078 291 D HN 0.309 nan 8.370 nan 0.000 0.486 292 N N 2.426 121.184 118.700 0.097 0.000 2.461 292 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 292 N C 0.594 176.123 175.510 0.031 0.000 1.134 292 N CA 0.282 53.369 53.050 0.061 0.000 0.878 292 N CB -0.257 38.249 38.487 0.031 0.000 0.972 292 N HN 0.302 nan 8.380 nan 0.000 0.456 293 N N -0.605 118.095 118.700 -0.001 0.000 2.300 293 N HA 0.061 4.801 4.740 -0.000 0.000 0.179 293 N C -0.541 174.841 175.510 -0.213 0.000 1.016 293 N CA 0.450 53.408 53.050 -0.154 0.000 0.876 293 N CB -0.046 38.262 38.487 -0.297 0.000 0.979 293 N HN 0.114 nan 8.380 nan 0.000 0.432 294 F N 1.632 121.572 119.950 -0.017 0.000 2.399 294 F HA 0.287 4.814 4.527 -0.000 0.000 0.342 294 F C -1.559 174.218 175.800 -0.040 0.000 1.106 294 F CA -2.360 55.624 58.000 -0.026 0.000 1.196 294 F CB 0.451 39.432 39.000 -0.031 0.000 1.163 294 F HN -0.095 nan 8.300 nan 0.000 0.547 295 P HA 0.152 nan 4.420 nan 0.000 0.275 295 P C -0.644 176.665 177.300 0.015 0.000 1.266 295 P CA -0.502 62.612 63.100 0.024 0.000 0.793 295 P CB 0.656 32.326 31.700 -0.049 0.000 1.074 296 R N -0.330 120.124 120.500 -0.077 0.000 2.738 296 R HA 0.317 4.657 4.340 -0.000 0.000 0.268 296 R C 0.019 176.256 176.300 -0.105 0.000 1.062 296 R CA -0.541 55.507 56.100 -0.086 0.000 1.158 296 R CB -0.194 30.045 30.300 -0.102 0.000 1.046 296 R HN 0.357 nan 8.270 nan 0.000 0.493 297 L N 1.968 123.131 121.223 -0.101 0.000 2.325 297 L HA 0.398 4.738 4.340 -0.000 0.000 0.278 297 L C -0.159 176.660 176.870 -0.085 0.000 1.023 297 L CA -0.172 54.609 54.840 -0.099 0.000 0.811 297 L CB 1.101 43.083 42.059 -0.129 0.000 1.249 297 L HN 0.625 nan 8.230 nan 0.000 0.431 298 R N 3.764 124.224 120.500 -0.067 0.000 2.854 298 R HA 1.001 5.341 4.340 -0.000 0.000 0.271 298 R C -1.623 174.661 176.300 -0.028 0.000 0.996 298 R CA -0.915 55.156 56.100 -0.048 0.000 0.961 298 R CB 1.761 32.039 30.300 -0.038 0.000 1.182 298 R HN 0.648 nan 8.270 nan 0.000 0.479 299 A N 0.633 123.440 122.820 -0.022 0.000 2.486 299 A HA 0.753 5.073 4.320 -0.000 0.000 0.300 299 A C -1.002 176.588 177.584 0.011 0.000 1.048 299 A CA -0.559 51.476 52.037 -0.003 0.000 0.696 299 A CB 2.127 21.105 19.000 -0.037 0.000 1.278 299 A HN 0.908 nan 8.150 nan 0.000 0.405 300 G N 0.093 108.926 108.800 0.054 0.000 2.566 300 G HA2 0.614 4.574 3.960 -0.000 0.000 0.311 300 G HA3 0.614 4.574 3.960 -0.000 0.000 0.311 300 G C -1.292 173.650 174.900 0.070 0.000 1.322 300 G CA -0.505 44.635 45.100 0.066 0.000 0.969 300 G HN 1.082 nan 8.290 nan 0.000 0.490 301 V N 0.475 120.414 119.914 0.042 0.000 2.735 301 V HA 0.908 5.028 4.120 -0.000 0.000 0.310 301 V C 0.084 176.203 176.094 0.041 0.000 1.061 301 V CA -0.709 61.599 62.300 0.012 0.000 0.913 301 V CB 1.464 33.265 31.823 -0.037 0.000 1.005 301 V HN 1.316 nan 8.190 nan 0.000 0.428 302 A N 2.627 125.462 122.820 0.026 0.000 2.520 302 A HA 0.880 5.200 4.320 -0.000 0.000 0.298 302 A C -0.657 176.933 177.584 0.010 0.000 1.051 302 A CA -0.467 51.595 52.037 0.042 0.000 0.690 302 A CB 2.087 21.130 19.000 0.071 0.000 1.281 302 A HN 0.667 nan 8.150 nan 0.000 0.402 303 S N -0.461 115.249 115.700 0.016 0.000 2.621 303 S HA 0.983 5.453 4.470 -0.000 0.000 0.302 303 S C 0.293 174.904 174.600 0.019 0.000 1.093 303 S CA 0.185 58.384 58.200 -0.002 0.000 1.017 303 S CB 1.827 65.019 63.200 -0.013 0.000 1.077 303 S HN 2.234 nan 8.310 nan 0.000 0.517 304 G N 1.240 110.050 108.800 0.016 0.000 2.352 304 G HA2 0.223 4.183 3.960 -0.000 0.000 0.283 304 G HA3 0.223 4.183 3.960 -0.000 0.000 0.283 304 G C -1.841 173.093 174.900 0.056 0.000 1.308 304 G CA -0.973 44.150 45.100 0.039 0.000 0.892 304 G HN 0.448 nan 8.290 nan 0.000 0.504 305 M N 0.974 120.620 119.600 0.077 0.000 2.146 305 M HA 0.681 5.160 4.480 -0.000 0.000 0.357 305 M C 0.371 176.762 176.300 0.152 0.000 1.261 305 M CA -0.379 54.986 55.300 0.107 0.000 1.106 305 M CB 0.259 32.915 32.600 0.093 0.000 1.612 305 M HN 1.402 nan 8.290 nan 0.000 0.470 306 A N 3.290 126.243 122.820 0.221 0.000 2.539 306 A HA 0.845 5.165 4.320 -0.000 0.000 0.296 306 A C -0.747 177.087 177.584 0.416 0.000 1.073 306 A CA -0.757 51.471 52.037 0.319 0.000 0.700 306 A CB 1.575 20.795 19.000 0.366 0.000 1.296 306 A HN 0.679 nan 8.150 nan 0.000 0.405 307 V N -0.228 119.887 119.914 0.335 0.000 2.732 307 V HA 0.902 5.022 4.120 -0.000 0.000 0.310 307 V C 0.166 176.270 176.094 0.017 0.000 1.053 307 V CA -0.144 62.260 62.300 0.174 0.000 0.957 307 V CB 1.392 33.267 31.823 0.087 0.000 1.018 307 V HN 1.467 nan 8.190 nan 0.000 0.452 308 S N 3.541 118.989 115.700 -0.419 0.000 2.449 308 S HA 0.719 5.189 4.470 -0.000 0.000 0.310 308 S C -0.507 173.886 174.600 -0.345 0.000 1.096 308 S CA -0.791 56.944 58.200 -0.773 0.000 1.095 308 S CB 1.391 63.492 63.200 -1.833 0.000 1.007 308 S HN 1.025 nan 8.310 nan 0.000 0.474 309 R N 2.377 122.813 120.500 -0.105 0.000 2.534 309 R HA 0.592 4.932 4.340 -0.000 0.000 0.301 309 R C 0.441 176.707 176.300 -0.056 0.000 0.961 309 R CA 0.140 56.187 56.100 -0.087 0.000 0.871 309 R CB 1.205 31.436 30.300 -0.115 0.000 1.170 309 R HN 1.521 nan 8.270 nan 0.000 0.446 310 A N 2.651 125.405 122.820 -0.110 0.000 2.799 310 A HA -0.215 4.105 4.320 -0.000 0.000 0.287 310 A C 1.032 178.537 177.584 -0.133 0.000 1.484 310 A CA 1.604 53.582 52.037 -0.098 0.000 0.813 310 A CB -2.102 16.869 19.000 -0.049 0.000 1.009 310 A HN 1.668 nan 8.150 nan 0.000 0.545 311 G N -2.312 106.355 108.800 -0.223 0.000 2.176 311 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.232 311 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.232 311 G C -0.060 174.678 174.900 -0.270 0.000 0.986 311 G CA 0.938 45.886 45.100 -0.254 0.000 0.643 311 G HN 1.251 nan 8.290 nan 0.000 0.522 312 D N -0.875 119.348 120.400 -0.295 0.000 2.442 312 D HA 0.696 5.336 4.640 -0.000 0.000 0.254 312 D C -0.670 175.316 176.300 -0.523 0.000 1.069 312 D CA -0.551 53.278 54.000 -0.285 0.000 1.017 312 D CB 1.067 41.683 40.800 -0.306 0.000 1.172 312 D HN 0.126 nan 8.370 nan 0.000 0.561 313 W N 0.517 121.589 121.300 -0.380 0.000 2.785 313 W HA 0.516 5.176 4.660 -0.000 0.000 0.333 313 W C -0.870 175.389 176.519 -0.434 0.000 1.062 313 W CA -0.628 56.591 57.345 -0.210 0.000 1.233 313 W CB 1.117 30.529 29.460 -0.080 0.000 1.413 313 W HN 0.074 nan 8.180 nan 0.000 0.489 314 F N 1.718 121.823 119.950 0.259 0.000 2.576 314 F HA 0.896 5.423 4.527 -0.000 0.000 0.313 314 F C 0.772 176.689 175.800 0.194 0.000 1.078 314 F CA -0.814 57.309 58.000 0.206 0.000 0.921 314 F CB 2.180 41.259 39.000 0.131 0.000 1.232 314 F HN 0.569 nan 8.300 nan 0.000 0.459 315 G N 0.337 109.337 108.800 0.335 0.000 2.346 315 G HA2 0.072 4.032 3.960 -0.000 0.000 0.294 315 G HA3 0.072 4.032 3.960 -0.000 0.000 0.294 315 G C 0.168 175.177 174.900 0.181 0.000 1.294 315 G CA -0.249 44.991 45.100 0.232 0.000 0.962 315 G HN 0.762 nan 8.290 nan 0.000 0.508 316 S N 0.407 116.192 115.700 0.141 0.000 2.359 316 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 316 S C 0.690 175.359 174.600 0.116 0.000 1.035 316 S CA 2.690 60.958 58.200 0.115 0.000 1.018 316 S CB -0.735 62.520 63.200 0.092 0.000 0.876 316 S HN 0.518 nan 8.310 nan 0.000 0.448 317 P HA -0.022 nan 4.420 nan 0.000 0.218 317 P C 1.592 178.967 177.300 0.124 0.000 1.149 317 P CA 0.933 64.091 63.100 0.096 0.000 0.817 317 P CB -0.270 31.468 31.700 0.064 0.000 0.785 318 V N 0.910 120.918 119.914 0.158 0.000 2.295 318 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 318 V C 2.370 178.629 176.094 0.275 0.000 1.049 318 V CA 2.209 64.651 62.300 0.236 0.000 1.024 318 V CB -1.599 30.362 31.823 0.230 0.000 0.648 318 V HN 0.070 nan 8.190 nan 0.000 0.447 319 N N 0.406 119.218 118.700 0.187 0.000 2.069 319 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 319 N C 1.728 177.307 175.510 0.116 0.000 1.031 319 N CA 1.485 54.615 53.050 0.134 0.000 0.852 319 N CB -0.760 37.791 38.487 0.106 0.000 1.018 319 N HN 0.360 nan 8.380 nan 0.000 0.423 320 V N 1.232 121.217 119.914 0.119 0.000 2.307 320 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 320 V C 2.371 178.538 176.094 0.122 0.000 1.045 320 V CA 1.725 64.086 62.300 0.101 0.000 1.024 320 V CB -1.061 30.817 31.823 0.091 0.000 0.651 320 V HN 0.320 nan 8.190 nan 0.000 0.449 321 A N -0.613 122.311 122.820 0.174 0.000 1.908 321 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 321 A C 2.564 180.327 177.584 0.299 0.000 1.181 321 A CA 2.410 54.589 52.037 0.235 0.000 0.627 321 A CB -0.812 18.337 19.000 0.249 0.000 0.818 321 A HN 0.488 nan 8.150 nan 0.000 0.445 322 S N -0.951 114.896 115.700 0.245 0.000 2.368 322 S HA -0.143 4.326 4.470 -0.000 0.000 0.224 322 S C 2.194 176.755 174.600 -0.064 0.000 1.029 322 S CA 1.126 59.260 58.200 -0.110 0.000 0.988 322 S CB -0.320 62.697 63.200 -0.306 0.000 0.838 322 S HN 0.574 nan 8.310 nan 0.000 0.462 323 R N 0.437 120.938 120.500 0.000 0.000 2.115 323 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 323 R C 2.232 178.541 176.300 0.015 0.000 1.100 323 R CA 1.027 57.127 56.100 -0.000 0.000 0.980 323 R CB -0.922 29.387 30.300 0.014 0.000 0.875 323 R HN 0.384 nan 8.270 nan 0.000 0.445 324 V N 0.834 120.773 119.914 0.042 0.000 2.453 324 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 324 V C 2.153 178.269 176.094 0.037 0.000 1.048 324 V CA 1.947 64.272 62.300 0.043 0.000 1.049 324 V CB -0.582 31.280 31.823 0.064 0.000 0.672 324 V HN 0.335 nan 8.190 nan 0.000 0.457 325 T N 0.555 115.140 114.554 0.051 0.000 2.720 325 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 325 T C 1.938 176.642 174.700 0.007 0.000 1.037 325 T CA 1.551 63.675 62.100 0.040 0.000 1.144 325 T CB -0.640 68.269 68.868 0.068 0.000 0.864 325 T HN 0.609 nan 8.240 nan 0.000 0.444 326 G N 1.256 110.050 108.800 -0.009 0.000 2.448 326 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 326 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 326 G C 1.596 176.497 174.900 0.002 0.000 1.127 326 G CA 1.199 46.292 45.100 -0.012 0.000 0.766 326 G HN 0.600 nan 8.290 nan 0.000 0.552 327 V N -2.730 117.186 119.914 0.003 0.000 3.621 327 V HA 0.719 4.839 4.120 -0.000 0.000 0.285 327 V C 1.159 177.254 176.094 0.002 0.000 1.346 327 V CA -0.058 62.244 62.300 0.002 0.000 1.104 327 V CB -0.347 31.472 31.823 -0.006 0.000 0.913 327 V HN 0.376 nan 8.190 nan 0.000 0.432 328 A N 1.755 124.578 122.820 0.004 0.000 2.425 328 A HA 0.525 4.845 4.320 -0.000 0.000 0.249 328 A C 0.643 178.231 177.584 0.006 0.000 1.084 328 A CA -0.402 51.635 52.037 0.000 0.000 0.781 328 A CB 0.130 19.128 19.000 -0.002 0.000 1.019 328 A HN 0.619 nan 8.150 nan 0.000 0.490 329 R N 1.836 122.339 120.500 0.006 0.000 2.582 329 R HA 0.280 4.620 4.340 -0.000 0.000 0.271 329 R C -2.516 173.785 176.300 0.003 0.000 1.078 329 R CA -1.541 54.572 56.100 0.022 0.000 1.127 329 R CB -0.168 30.146 30.300 0.024 0.000 1.038 329 R HN 0.435 nan 8.270 nan 0.000 0.500 330 P HA -0.080 nan 4.420 nan 0.000 0.262 330 P C 0.586 177.864 177.300 -0.038 0.000 1.182 330 P CA 1.089 64.160 63.100 -0.049 0.000 0.761 330 P CB 0.401 32.057 31.700 -0.074 0.000 0.795 331 G N 1.597 110.364 108.800 -0.055 0.000 2.184 331 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.264 331 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.264 331 G C 0.336 175.209 174.900 -0.045 0.000 0.975 331 G CA 0.084 45.154 45.100 -0.049 0.000 0.642 331 G HN 0.876 nan 8.290 nan 0.000 0.536 332 A N -0.395 122.401 122.820 -0.040 0.000 2.312 332 A HA 0.796 5.116 4.320 -0.000 0.000 0.326 332 A C -0.070 177.484 177.584 -0.049 0.000 1.172 332 A CA -0.154 51.859 52.037 -0.040 0.000 0.821 332 A CB 1.901 20.886 19.000 -0.025 0.000 1.166 332 A HN 1.113 nan 8.150 nan 0.000 0.493 333 V N 3.925 123.800 119.914 -0.065 0.000 2.313 333 V HA 0.302 4.421 4.120 -0.000 0.000 0.278 333 V C -0.182 175.874 176.094 -0.062 0.000 1.017 333 V CA -0.137 62.117 62.300 -0.077 0.000 0.823 333 V CB 0.554 32.303 31.823 -0.124 0.000 1.010 333 V HN 0.737 nan 8.190 nan 0.000 0.443 334 L N 5.777 126.986 121.223 -0.023 0.000 2.325 334 L HA 0.773 5.113 4.340 -0.000 0.000 0.279 334 L C -0.242 176.654 176.870 0.043 0.000 1.054 334 L CA -0.740 54.110 54.840 0.017 0.000 0.804 334 L CB 1.950 44.020 42.059 0.018 0.000 1.200 334 L HN 0.595 nan 8.230 nan 0.000 0.436 335 V N 0.307 120.291 119.914 0.117 0.000 2.789 335 V HA 0.830 4.950 4.120 -0.000 0.000 0.311 335 V C 0.001 176.244 176.094 0.248 0.000 1.073 335 V CA -0.817 61.573 62.300 0.151 0.000 0.921 335 V CB 1.582 33.494 31.823 0.147 0.000 1.009 335 V HN 0.827 nan 8.190 nan 0.000 0.426 336 A N 2.427 125.360 122.820 0.188 0.000 2.425 336 A HA 0.346 4.666 4.320 -0.000 0.000 0.242 336 A C 1.046 178.788 177.584 0.263 0.000 1.077 336 A CA 0.638 52.802 52.037 0.211 0.000 0.781 336 A CB 0.095 19.176 19.000 0.135 0.000 1.020 336 A HN 1.228 nan 8.150 nan 0.000 0.494 337 D N 1.087 121.686 120.400 0.331 0.000 2.190 337 D HA -0.209 4.431 4.640 -0.000 0.000 0.200 337 D C 2.057 178.400 176.300 0.071 0.000 0.992 337 D CA 2.328 56.492 54.000 0.273 0.000 0.854 337 D CB 0.012 41.020 40.800 0.348 0.000 0.936 337 D HN 0.619 nan 8.370 nan 0.000 0.462 338 S N -0.927 114.822 115.700 0.080 0.000 2.402 338 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 338 S C 2.105 176.708 174.600 0.005 0.000 1.030 338 S CA 1.444 59.665 58.200 0.035 0.000 1.003 338 S CB -0.785 62.444 63.200 0.048 0.000 0.813 338 S HN 0.198 nan 8.310 nan 0.000 0.477 339 V N 3.481 123.409 119.914 0.023 0.000 2.346 339 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 339 V C 2.870 178.948 176.094 -0.026 0.000 1.037 339 V CA 1.857 64.166 62.300 0.014 0.000 1.029 339 V CB -0.883 30.975 31.823 0.057 0.000 0.663 339 V HN 0.688 nan 8.190 nan 0.000 0.454 340 R N 0.619 121.050 120.500 -0.115 0.000 2.148 340 R HA -0.064 4.276 4.340 -0.000 0.000 0.223 340 R C 1.848 177.936 176.300 -0.354 0.000 1.088 340 R CA 1.299 57.147 56.100 -0.419 0.000 0.985 340 R CB -0.449 29.194 30.300 -1.095 0.000 0.880 340 R HN 0.403 nan 8.270 nan 0.000 0.451 341 E N 1.562 121.627 120.200 -0.226 0.000 2.072 341 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 341 E C 2.033 178.566 176.600 -0.111 0.000 0.985 341 E CA 1.433 57.736 56.400 -0.162 0.000 0.801 341 E CB -0.212 29.429 29.700 -0.098 0.000 0.750 341 E HN 0.523 nan 8.360 nan 0.000 0.452 342 A N 1.064 123.837 122.820 -0.079 0.000 2.209 342 A HA 0.001 4.321 4.320 -0.000 0.000 0.212 342 A C 1.300 178.857 177.584 -0.045 0.000 1.158 342 A CA 0.167 52.173 52.037 -0.052 0.000 0.742 342 A CB -0.367 18.611 19.000 -0.037 0.000 0.790 342 A HN 0.091 nan 8.150 nan 0.000 0.472 343 L N -0.301 120.889 121.223 -0.056 0.000 2.360 343 L HA 0.343 4.683 4.340 -0.000 0.000 0.276 343 L C 1.507 178.351 176.870 -0.044 0.000 1.121 343 L CA -0.261 54.566 54.840 -0.022 0.000 0.845 343 L CB 1.357 43.428 42.059 0.021 0.000 1.143 343 L HN 0.333 nan 8.230 nan 0.000 0.452 344 G N 2.215 111.003 108.800 -0.020 0.000 2.728 344 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.223 344 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.223 344 G C 0.107 174.991 174.900 -0.027 0.000 1.379 344 G CA 0.013 45.096 45.100 -0.030 0.000 0.870 344 G HN 0.718 nan 8.290 nan 0.000 0.591 350 D N -0.544 119.860 120.400 0.007 0.000 2.361 350 D HA 0.441 5.081 4.640 -0.000 0.000 0.239 350 D C 0.748 176.982 176.300 -0.111 0.000 1.200 350 D CA 0.485 54.457 54.000 -0.047 0.000 0.915 350 D CB 0.865 41.757 40.800 0.153 0.000 1.170 350 D HN 0.276 nan 8.370 nan 0.000 0.444 351 G N 0.443 109.024 108.800 -0.365 0.000 4.975 351 G HA2 0.397 4.357 3.960 -0.000 0.000 0.312 351 G HA3 0.397 4.357 3.960 -0.000 0.000 0.312 351 G C -1.054 173.563 174.900 -0.471 0.000 1.425 351 G CA -0.659 44.260 45.100 -0.301 0.000 1.076 351 G HN 0.338 nan 8.290 nan 0.000 0.586 352 F N 0.336 120.314 119.950 0.046 0.000 2.458 352 F HA 0.539 5.066 4.527 -0.000 0.000 0.330 352 F C 0.572 176.332 175.800 -0.067 0.000 1.082 352 F CA -1.137 56.789 58.000 -0.123 0.000 0.995 352 F CB 1.838 40.616 39.000 -0.370 0.000 1.170 352 F HN 0.266 nan 8.300 nan 0.000 0.478 353 Q N 0.935 120.740 119.800 0.008 0.000 2.266 353 Q HA 0.572 4.912 4.340 -0.000 0.000 0.261 353 Q C -2.147 173.802 176.000 -0.084 0.000 0.985 353 Q CA -0.861 54.995 55.803 0.089 0.000 0.873 353 Q CB 1.862 30.660 28.738 0.100 0.000 1.306 353 Q HN 0.633 nan 8.270 nan 0.000 0.447 354 W N 1.020 122.395 121.300 0.125 0.000 2.656 354 W HA 0.511 5.171 4.660 -0.000 0.000 0.327 354 W C -0.921 175.727 176.519 0.215 0.000 1.041 354 W CA -0.499 56.947 57.345 0.168 0.000 1.229 354 W CB 2.271 31.811 29.460 0.134 0.000 1.397 354 W HN 0.544 nan 8.180 nan 0.000 0.479 355 S N 2.656 118.610 115.700 0.422 0.000 2.482 355 S HA 0.453 4.923 4.470 -0.000 0.000 0.303 355 S C -1.183 173.660 174.600 0.406 0.000 1.091 355 S CA -0.740 57.661 58.200 0.336 0.000 1.057 355 S CB 1.218 64.525 63.200 0.177 0.000 1.031 355 S HN 0.283 nan 8.310 nan 0.000 0.485 356 F N 3.058 123.083 119.950 0.124 0.000 2.466 356 F HA 0.441 4.968 4.527 -0.000 0.000 0.363 356 F C 1.079 176.790 175.800 -0.148 0.000 1.109 356 F CA -1.217 56.686 58.000 -0.161 0.000 1.161 356 F CB 0.235 39.134 39.000 -0.169 0.000 1.117 356 F HN 0.747 nan 8.300 nan 0.000 0.539 357 A N 4.355 126.821 122.820 -0.590 0.000 2.072 357 A HA 0.492 4.812 4.320 -0.000 0.000 0.216 357 A C 1.191 178.331 177.584 -0.741 0.000 1.156 357 A CA 0.832 52.582 52.037 -0.478 0.000 0.701 357 A CB -1.070 17.761 19.000 -0.282 0.000 0.816 357 A HN 1.580 nan 8.150 nan 0.000 0.458 358 G N -1.477 106.387 108.800 -1.559 0.000 2.497 358 G HA2 0.123 4.083 3.960 -0.000 0.000 0.686 358 G HA3 0.123 4.083 3.960 -0.000 0.000 0.686 358 G C -3.405 171.065 174.900 -0.716 0.000 1.288 358 G CA -0.492 43.848 45.100 -1.266 0.000 0.899 358 G HN 0.202 nan 8.290 nan 0.000 0.608 359 P HA 0.502 nan 4.420 nan 0.000 0.275 359 P C -0.355 176.886 177.300 -0.098 0.000 1.227 359 P CA -0.049 62.996 63.100 -0.092 0.000 0.781 359 P CB 1.317 33.027 31.700 0.018 0.000 0.906 360 R N 1.434 121.898 120.500 -0.059 0.000 2.548 360 R HA 0.349 4.689 4.340 -0.000 0.000 0.280 360 R C -0.564 175.726 176.300 -0.017 0.000 1.061 360 R CA -0.747 55.324 56.100 -0.048 0.000 0.915 360 R CB 1.725 31.987 30.300 -0.063 0.000 1.210 360 R HN 0.355 nan 8.270 nan 0.000 0.442 361 R N 4.994 125.487 120.500 -0.012 0.000 2.267 361 R HA 0.309 4.649 4.340 -0.000 0.000 0.319 361 R C -0.864 175.435 176.300 -0.001 0.000 1.067 361 R CA -0.195 55.904 56.100 -0.002 0.000 0.936 361 R CB 0.409 30.709 30.300 -0.001 0.000 1.006 361 R HN 0.515 nan 8.270 nan 0.000 0.452 362 L N 4.719 125.946 121.223 0.007 0.000 2.325 362 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 362 L C 1.742 178.618 176.870 0.009 0.000 1.023 362 L CA -0.821 54.024 54.840 0.008 0.000 0.811 362 L CB 1.792 43.861 42.059 0.016 0.000 1.249 362 L HN 0.616 nan 8.230 nan 0.000 0.431 363 R N 2.024 122.527 120.500 0.005 0.000 2.094 363 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 363 R C 1.713 178.017 176.300 0.007 0.000 1.137 363 R CA 1.890 57.992 56.100 0.003 0.000 0.943 363 R CB -0.347 29.952 30.300 -0.002 0.000 0.850 363 R HN 0.947 nan 8.270 nan 0.000 0.433 364 G N -0.202 108.603 108.800 0.010 0.000 2.838 364 G HA2 0.123 4.083 3.960 -0.000 0.000 0.210 364 G HA3 0.123 4.083 3.960 -0.000 0.000 0.210 364 G C 0.449 175.362 174.900 0.021 0.000 1.153 364 G CA -0.070 45.038 45.100 0.014 0.000 0.778 364 G HN 0.010 nan 8.290 nan 0.000 0.539 365 I N -0.957 119.627 120.570 0.023 0.000 2.947 365 I HA 0.492 4.662 4.170 -0.000 0.000 0.314 365 I C 1.207 177.339 176.117 0.024 0.000 1.028 365 I CA -0.867 60.450 61.300 0.029 0.000 1.077 365 I CB 1.964 39.986 38.000 0.036 0.000 1.274 365 I HN -0.206 nan 8.210 nan 0.000 0.485 366 R N 1.780 122.296 120.500 0.026 0.000 2.125 366 R HA 0.230 4.570 4.340 -0.000 0.000 0.195 366 R C 0.739 177.054 176.300 0.025 0.000 1.138 366 R CA 0.344 56.457 56.100 0.023 0.000 1.123 366 R CB -0.385 29.928 30.300 0.022 0.000 1.049 366 R HN 0.760 nan 8.270 nan 0.000 0.503 367 G N 3.147 111.965 108.800 0.029 0.000 2.563 367 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.295 367 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.295 367 G C -0.717 174.205 174.900 0.036 0.000 0.874 367 G CA -0.022 45.097 45.100 0.032 0.000 1.642 367 G HN 0.117 nan 8.290 nan 0.000 0.483 368 D N 0.541 120.959 120.400 0.031 0.000 3.683 368 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 368 D C 0.644 176.969 176.300 0.042 0.000 1.100 368 D CA 0.772 54.790 54.000 0.030 0.000 0.742 368 D CB 0.588 41.404 40.800 0.027 0.000 1.168 368 D HN 0.150 nan 8.370 nan 0.000 0.585 369 V N 4.834 124.771 119.914 0.039 0.000 2.439 369 V HA 0.290 4.410 4.120 -0.000 0.000 0.282 369 V C 0.773 176.898 176.094 0.052 0.000 1.039 369 V CA -0.533 61.802 62.300 0.057 0.000 0.913 369 V CB 1.556 33.413 31.823 0.057 0.000 0.983 369 V HN 0.380 nan 8.190 nan 0.000 0.460 370 R N 4.781 125.345 120.500 0.107 0.000 2.216 370 R HA 0.583 4.923 4.340 -0.000 0.000 0.332 370 R C -0.858 175.504 176.300 0.103 0.000 1.056 370 R CA -0.223 55.950 56.100 0.121 0.000 0.901 370 R CB 0.623 31.090 30.300 0.277 0.000 1.039 370 R HN 0.602 nan 8.270 nan 0.000 0.456 371 L N 3.761 124.905 121.223 -0.132 0.000 2.331 371 L HA 0.572 4.911 4.340 -0.000 0.000 0.275 371 L C -0.658 176.051 176.870 -0.268 0.000 1.022 371 L CA -0.731 54.067 54.840 -0.069 0.000 0.812 371 L CB 0.961 42.965 42.059 -0.090 0.000 1.257 371 L HN 0.426 nan 8.230 nan 0.000 0.435 372 F N 0.555 120.594 119.950 0.148 0.000 2.547 372 F HA 0.475 5.002 4.527 -0.000 0.000 0.316 372 F C 0.138 176.006 175.800 0.112 0.000 1.121 372 F CA -0.778 57.362 58.000 0.234 0.000 0.911 372 F CB 1.826 41.111 39.000 0.474 0.000 1.179 372 F HN 0.337 nan 8.300 nan 0.000 0.443 373 R N 2.040 122.663 120.500 0.206 0.000 2.340 373 R HA 0.671 5.011 4.340 -0.000 0.000 0.300 373 R C -1.725 174.574 176.300 -0.001 0.000 1.069 373 R CA -0.101 56.041 56.100 0.070 0.000 0.984 373 R CB 0.707 31.027 30.300 0.033 0.000 1.003 373 R HN 0.509 nan 8.270 nan 0.000 0.459 374 V N 5.789 125.605 119.914 -0.163 0.000 2.555 374 V HA 0.616 4.735 4.120 -0.000 0.000 0.302 374 V C -0.097 175.833 176.094 -0.273 0.000 1.038 374 V CA -0.742 61.305 62.300 -0.420 0.000 0.887 374 V CB 1.794 33.196 31.823 -0.701 0.000 0.991 374 V HN 0.830 nan 8.190 nan 0.000 0.434 375 R N 2.425 122.782 120.500 -0.237 0.000 2.774 375 R HA 0.611 4.951 4.340 -0.000 0.000 0.272 375 R C -0.571 175.721 176.300 -0.014 0.000 1.000 375 R CA -1.195 54.846 56.100 -0.098 0.000 0.906 375 R CB 1.680 31.945 30.300 -0.060 0.000 1.227 375 R HN 0.476 nan 8.270 nan 0.000 0.468 376 R N 0.000 120.511 120.500 0.019 0.000 2.786 376 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 376 R CA 0.000 56.111 56.100 0.018 0.000 0.921 376 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 376 R HN 0.000 nan 8.270 nan 0.000 0.535