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 3d6b_1_D DATA FIRST_RESID 3 DATA SEQUENCE AATFHWDDPL LLDQQLADDE RMVRDAAHAY AQGKLAPRVT EAFRHETTDA DATA SEQUENCE AIFREMGEIG LLGPTIPEQY GGPGLDYVSY GLIAREVERV DSGYRSMMSV DATA SEQUENCE QSSLVMVPIF EFGSDAQKEK YLPKLATGEW IGCFGLTEPX XXXXXXSMVT DATA SEQUENCE RARKVPGGYS LSGSKMWITN SPIADVFVVW AKLDXXXXDE IRGFILEKGC DATA SEQUENCE KGLSAPAIHG KVGLRASITG EIVLDEAFVP EENILPHVKG LRGPFTCLNS DATA SEQUENCE ARYGIAWGAL GAAESCWHIA RQYVLDRKQF GRPLAANQLI QKKLADMQTE DATA SEQUENCE ITLGLQGVLR LGRMKDEGTA AVEITSIMKR NSCGKALDIA RLARDMLGGN DATA SEQUENCE XXXXXXGVAR HLVNLEVVNT YEXXHDIHAL ILGRAQTGIQ A 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.617 177.584 0.055 0.000 1.274 3 A CA 0.000 52.060 52.037 0.039 0.000 0.836 3 A CB 0.000 19.022 19.000 0.037 0.000 0.831 4 A N 0.656 123.516 122.820 0.067 0.000 2.425 4 A HA 0.622 4.942 4.320 -0.000 0.000 0.242 4 A C 0.587 178.248 177.584 0.129 0.000 1.077 4 A CA 0.602 52.693 52.037 0.090 0.000 0.781 4 A CB -0.245 18.809 19.000 0.090 0.000 1.020 4 A HN 1.235 nan 8.150 nan 0.000 0.494 5 T N 1.854 116.500 114.554 0.153 0.000 2.832 5 T HA 0.349 4.698 4.350 -0.000 0.000 0.296 5 T C -0.250 174.636 174.700 0.311 0.000 0.968 5 T CA 0.267 62.475 62.100 0.180 0.000 1.107 5 T CB 0.077 69.013 68.868 0.113 0.000 0.916 5 T HN 0.396 nan 8.240 nan 0.000 0.517 6 F N 3.761 123.784 119.950 0.123 0.000 2.427 6 F HA 0.226 4.753 4.527 -0.000 0.000 0.352 6 F C 0.740 176.628 175.800 0.146 0.000 1.100 6 F CA -0.511 57.589 58.000 0.167 0.000 1.191 6 F CB 0.490 39.570 39.000 0.133 0.000 1.128 6 F HN 0.586 nan 8.300 nan 0.000 0.533 7 H N 8.285 126.972 119.070 -0.638 0.000 2.691 7 H HA -0.005 4.551 4.556 -0.000 0.000 0.281 7 H C 0.564 175.302 175.328 -0.983 0.000 1.121 7 H CA -0.585 55.084 56.048 -0.632 0.000 1.254 7 H CB 0.358 29.876 29.762 -0.406 0.000 1.390 7 H HN 0.937 nan 8.280 nan 0.000 0.491 8 W N 4.736 125.631 121.300 -0.675 0.000 2.350 8 W HA -0.156 4.504 4.660 -0.000 0.000 0.289 8 W C 0.553 177.056 176.519 -0.026 0.000 1.215 8 W CA 1.259 58.388 57.345 -0.361 0.000 1.236 8 W CB -0.305 29.172 29.460 0.027 0.000 1.130 8 W HN 0.480 nan 8.180 nan 0.000 0.541 9 D N -0.129 119.678 120.400 -0.988 0.000 2.349 9 D HA -0.081 4.559 4.640 -0.000 0.000 0.215 9 D C -0.189 175.965 176.300 -0.243 0.000 1.016 9 D CA 0.515 53.991 54.000 -0.873 0.000 0.870 9 D CB -0.479 39.363 40.800 -1.597 0.000 0.917 9 D HN 0.117 nan 8.370 nan 0.000 0.524 10 D N -0.259 120.012 120.400 -0.215 0.000 3.118 10 D HA 0.197 4.837 4.640 -0.000 0.000 0.286 10 D C -2.111 174.115 176.300 -0.123 0.000 1.255 10 D CA -1.610 52.325 54.000 -0.108 0.000 0.748 10 D CB 1.277 41.995 40.800 -0.136 0.000 1.332 10 D HN -0.212 nan 8.370 nan 0.000 0.575 11 P HA -0.061 nan 4.420 nan 0.000 0.215 11 P C 1.259 178.584 177.300 0.041 0.000 1.153 11 P CA 0.878 63.968 63.100 -0.017 0.000 0.853 11 P CB 0.304 32.126 31.700 0.203 0.000 0.788 12 L N -1.169 120.064 121.223 0.017 0.000 2.629 12 L HA 0.157 4.497 4.340 -0.000 0.000 0.230 12 L C 0.300 177.147 176.870 -0.039 0.000 1.151 12 L CA -0.204 54.641 54.840 0.008 0.000 0.924 12 L CB -0.706 41.360 42.059 0.012 0.000 1.137 12 L HN -0.074 nan 8.230 nan 0.000 0.457 13 L N 0.078 121.242 121.223 -0.099 0.000 3.795 13 L HA -0.273 4.067 4.340 -0.000 0.000 0.489 13 L C 1.587 178.406 176.870 -0.084 0.000 1.259 13 L CA -0.266 54.481 54.840 -0.156 0.000 0.765 13 L CB -1.119 40.826 42.059 -0.190 0.000 1.519 13 L HN 0.314 nan 8.230 nan 0.000 0.842 14 L N 0.786 121.978 121.223 -0.051 0.000 2.051 14 L HA -0.230 4.110 4.340 -0.000 0.000 0.214 14 L C 2.007 178.874 176.870 -0.004 0.000 1.076 14 L CA 2.728 57.565 54.840 -0.005 0.000 0.758 14 L CB -0.286 41.787 42.059 0.023 0.000 0.890 14 L HN 0.563 nan 8.230 nan 0.000 0.433 15 D N -1.413 118.963 120.400 -0.039 0.000 2.158 15 D HA -0.239 4.401 4.640 -0.000 0.000 0.197 15 D C 2.020 178.297 176.300 -0.039 0.000 0.995 15 D CA 1.334 55.309 54.000 -0.042 0.000 0.846 15 D CB -0.028 40.726 40.800 -0.076 0.000 0.941 15 D HN 0.495 nan 8.370 nan 0.000 0.456 16 Q N -0.620 119.147 119.800 -0.056 0.000 2.378 16 Q HA -0.037 4.303 4.340 -0.000 0.000 0.205 16 Q C 1.758 177.748 176.000 -0.017 0.000 0.954 16 Q CA 0.588 56.365 55.803 -0.043 0.000 0.901 16 Q CB 0.148 28.849 28.738 -0.062 0.000 0.981 16 Q HN 0.596 nan 8.270 nan 0.000 0.483 17 Q N -0.130 119.668 119.800 -0.004 0.000 2.425 17 Q HA 0.145 4.485 4.340 -0.000 0.000 0.204 17 Q C 0.240 176.259 176.000 0.033 0.000 0.933 17 Q CA 0.057 55.871 55.803 0.018 0.000 0.939 17 Q CB 0.428 29.184 28.738 0.029 0.000 1.044 17 Q HN 0.256 nan 8.270 nan 0.000 0.513 18 L N 0.890 122.129 121.223 0.026 0.000 2.350 18 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 18 L C 0.292 177.171 176.870 0.014 0.000 1.099 18 L CA -0.938 53.920 54.840 0.029 0.000 0.808 18 L CB 0.723 42.795 42.059 0.022 0.000 1.149 18 L HN 0.038 nan 8.230 nan 0.000 0.442 19 A N 1.430 124.259 122.820 0.015 0.000 2.406 19 A HA -0.012 4.308 4.320 -0.000 0.000 0.243 19 A C 0.863 178.445 177.584 -0.004 0.000 1.082 19 A CA 0.045 52.085 52.037 0.005 0.000 0.786 19 A CB 0.158 19.162 19.000 0.006 0.000 1.029 19 A HN 0.933 nan 8.150 nan 0.000 0.495 20 D N -0.049 120.347 120.400 -0.007 0.000 2.144 20 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 20 D C 0.924 177.215 176.300 -0.015 0.000 0.978 20 D CA 1.775 55.768 54.000 -0.012 0.000 0.833 20 D CB 0.014 40.807 40.800 -0.011 0.000 0.961 20 D HN 0.613 nan 8.370 nan 0.000 0.470 21 D N 0.193 120.583 120.400 -0.016 0.000 2.157 21 D HA -0.195 4.444 4.640 -0.000 0.000 0.191 21 D C 1.876 178.161 176.300 -0.025 0.000 1.004 21 D CA 1.163 55.150 54.000 -0.021 0.000 0.854 21 D CB -0.156 40.631 40.800 -0.022 0.000 0.936 21 D HN 0.444 nan 8.370 nan 0.000 0.446 22 E N -0.429 119.758 120.200 -0.022 0.000 2.107 22 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 22 E C 2.142 178.724 176.600 -0.031 0.000 0.982 22 E CA 0.321 56.703 56.400 -0.030 0.000 0.809 22 E CB 0.079 29.767 29.700 -0.020 0.000 0.756 22 E HN 0.116 nan 8.360 nan 0.000 0.459 23 R N 0.294 120.781 120.500 -0.021 0.000 2.081 23 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 23 R C 2.007 178.293 176.300 -0.022 0.000 1.131 23 R CA 1.397 57.484 56.100 -0.022 0.000 0.960 23 R CB 0.038 30.325 30.300 -0.021 0.000 0.856 23 R HN 0.116 nan 8.270 nan 0.000 0.436 24 M N -0.081 119.507 119.600 -0.020 0.000 2.175 24 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 24 M C 2.253 178.545 176.300 -0.014 0.000 1.063 24 M CA 1.090 56.380 55.300 -0.016 0.000 1.119 24 M CB -0.655 31.934 32.600 -0.017 0.000 1.377 24 M HN 0.047 nan 8.290 nan 0.000 0.415 25 V N 0.088 119.988 119.914 -0.023 0.000 2.343 25 V HA -0.258 3.861 4.120 -0.000 0.000 0.247 25 V C 2.628 178.713 176.094 -0.014 0.000 1.051 25 V CA 1.849 64.133 62.300 -0.027 0.000 1.036 25 V CB -0.788 31.009 31.823 -0.044 0.000 0.654 25 V HN 0.460 nan 8.190 nan 0.000 0.451 26 R N 0.220 120.708 120.500 -0.020 0.000 2.083 26 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 26 R C 2.018 178.343 176.300 0.042 0.000 1.137 26 R CA 2.302 58.401 56.100 -0.002 0.000 0.951 26 R CB -0.462 29.828 30.300 -0.017 0.000 0.851 26 R HN 0.516 nan 8.270 nan 0.000 0.434 27 D N 0.236 120.650 120.400 0.024 0.000 2.178 27 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 27 D C 1.721 178.075 176.300 0.090 0.000 0.980 27 D CA 1.369 55.397 54.000 0.048 0.000 0.842 27 D CB -0.236 40.568 40.800 0.007 0.000 0.948 27 D HN 0.406 nan 8.370 nan 0.000 0.472 28 A N 1.121 123.975 122.820 0.056 0.000 1.898 28 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 28 A C 2.327 179.965 177.584 0.090 0.000 1.181 28 A CA 2.035 54.105 52.037 0.055 0.000 0.620 28 A CB -0.656 18.353 19.000 0.015 0.000 0.819 28 A HN 0.233 nan 8.150 nan 0.000 0.442 29 A N -1.073 121.799 122.820 0.087 0.000 1.930 29 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 29 A C 1.993 179.662 177.584 0.142 0.000 1.175 29 A CA 2.020 54.128 52.037 0.118 0.000 0.627 29 A CB -0.821 18.225 19.000 0.076 0.000 0.815 29 A HN 0.781 nan 8.150 nan 0.000 0.443 30 H N -0.172 118.925 119.070 0.045 0.000 2.326 30 H HA 0.064 4.620 4.556 -0.000 0.000 0.301 30 H C 2.201 177.540 175.328 0.019 0.000 1.081 30 H CA 1.973 58.037 56.048 0.026 0.000 1.334 30 H CB -0.205 29.565 29.762 0.013 0.000 1.385 30 H HN 0.379 nan 8.280 nan 0.000 0.504 31 A N -0.165 122.723 122.820 0.113 0.000 1.902 31 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 31 A C 2.344 179.929 177.584 0.000 0.000 1.181 31 A CA 1.667 53.735 52.037 0.052 0.000 0.623 31 A CB -1.367 17.689 19.000 0.093 0.000 0.818 31 A HN 0.738 nan 8.150 nan 0.000 0.443 32 Y N 0.340 120.605 120.300 -0.058 0.000 2.133 32 Y HA -0.069 4.481 4.550 -0.000 0.000 0.287 32 Y C 2.659 178.489 175.900 -0.117 0.000 1.134 32 Y CA 1.700 59.753 58.100 -0.079 0.000 1.133 32 Y CB -0.418 38.000 38.460 -0.069 0.000 0.987 32 Y HN 0.301 nan 8.280 nan 0.000 0.502 33 A N 0.183 122.800 122.820 -0.339 0.000 1.902 33 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 33 A C 2.030 179.386 177.584 -0.380 0.000 1.181 33 A CA 1.724 53.506 52.037 -0.426 0.000 0.623 33 A CB -0.590 18.312 19.000 -0.163 0.000 0.818 33 A HN 0.579 nan 8.150 nan 0.000 0.443 34 Q N -0.619 118.969 119.800 -0.354 0.000 2.172 34 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 34 Q C 2.127 177.992 176.000 -0.225 0.000 0.964 34 Q CA 1.447 57.073 55.803 -0.294 0.000 0.855 34 Q CB -0.774 27.736 28.738 -0.380 0.000 0.918 34 Q HN 0.645 nan 8.270 nan 0.000 0.444 35 G N 0.610 109.269 108.800 -0.235 0.000 2.426 35 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 35 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 35 G C 1.583 176.355 174.900 -0.213 0.000 1.156 35 G CA 0.293 45.290 45.100 -0.171 0.000 0.802 35 G HN 0.119 nan 8.290 nan 0.000 0.534 36 K N -0.353 119.813 120.400 -0.389 0.000 2.344 36 K HA 0.358 4.678 4.320 -0.000 0.000 0.200 36 K C 2.385 178.740 176.600 -0.409 0.000 1.132 36 K CA 0.046 56.096 56.287 -0.396 0.000 0.935 36 K CB -0.163 32.039 32.500 -0.497 0.000 1.089 36 K HN 0.274 nan 8.250 nan 0.000 0.496 37 L N 0.659 121.554 121.223 -0.548 0.000 2.168 37 L HA 0.098 4.438 4.340 -0.000 0.000 0.203 37 L C 2.526 179.295 176.870 -0.168 0.000 1.078 37 L CA 0.921 55.474 54.840 -0.478 0.000 0.780 37 L CB -0.616 41.053 42.059 -0.651 0.000 0.939 37 L HN 0.002 nan 8.230 nan 0.000 0.451 38 A N 1.061 123.793 122.820 -0.146 0.000 1.883 38 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 38 A C -0.040 177.527 177.584 -0.029 0.000 1.186 38 A CA 1.792 53.796 52.037 -0.055 0.000 0.624 38 A CB -1.863 17.093 19.000 -0.073 0.000 0.822 38 A HN 0.303 nan 8.150 nan 0.000 0.444 39 P HA -0.063 nan 4.420 nan 0.000 0.223 39 P C 1.265 178.571 177.300 0.010 0.000 1.151 39 P CA 0.909 63.996 63.100 -0.021 0.000 0.787 39 P CB -0.034 31.645 31.700 -0.036 0.000 0.788 40 R N -1.061 119.450 120.500 0.018 0.000 2.210 40 R HA 0.055 4.395 4.340 -0.000 0.000 0.203 40 R C 2.125 178.512 176.300 0.144 0.000 1.010 40 R CA 0.267 56.413 56.100 0.077 0.000 1.008 40 R CB -0.904 29.439 30.300 0.072 0.000 0.923 40 R HN 0.065 nan 8.270 nan 0.000 0.469 41 V N 0.752 120.758 119.914 0.152 0.000 2.343 41 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 41 V C 1.699 177.846 176.094 0.088 0.000 1.051 41 V CA 2.255 64.653 62.300 0.163 0.000 1.036 41 V CB -0.172 31.730 31.823 0.131 0.000 0.654 41 V HN 0.346 nan 8.190 nan 0.000 0.451 42 T N 0.004 114.589 114.554 0.053 0.000 2.652 42 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 42 T C 1.804 176.552 174.700 0.080 0.000 1.039 42 T CA 1.746 63.869 62.100 0.038 0.000 1.153 42 T CB -0.268 68.611 68.868 0.017 0.000 0.863 42 T HN 0.510 nan 8.240 nan 0.000 0.428 43 E N 1.175 121.439 120.200 0.107 0.000 2.107 43 E HA 0.089 4.439 4.350 -0.000 0.000 0.191 43 E C 2.543 179.261 176.600 0.196 0.000 0.982 43 E CA 0.940 57.441 56.400 0.168 0.000 0.809 43 E CB -0.637 29.193 29.700 0.216 0.000 0.756 43 E HN 0.499 nan 8.360 nan 0.000 0.459 44 A N 0.777 123.701 122.820 0.172 0.000 1.908 44 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 44 A C 2.103 179.755 177.584 0.113 0.000 1.181 44 A CA 1.306 53.440 52.037 0.161 0.000 0.627 44 A CB -0.802 18.311 19.000 0.189 0.000 0.818 44 A HN 0.272 nan 8.150 nan 0.000 0.445 45 F N 0.055 119.979 119.950 -0.044 0.000 2.163 45 F HA -0.050 4.476 4.527 -0.000 0.000 0.297 45 F C 2.387 178.126 175.800 -0.101 0.000 1.094 45 F CA 1.730 59.680 58.000 -0.085 0.000 1.290 45 F CB -0.162 38.767 39.000 -0.119 0.000 1.017 45 F HN 0.168 nan 8.300 nan 0.000 0.483 46 R N -0.694 119.805 120.500 -0.001 0.000 2.081 46 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 46 R C 1.209 177.273 176.300 -0.394 0.000 1.131 46 R CA 2.235 58.180 56.100 -0.257 0.000 0.960 46 R CB -0.469 29.554 30.300 -0.462 0.000 0.856 46 R HN 0.437 nan 8.270 nan 0.000 0.436 47 H N -1.145 117.920 119.070 -0.008 0.000 2.594 47 H HA 0.201 4.757 4.556 -0.000 0.000 0.279 47 H C -0.310 175.001 175.328 -0.028 0.000 1.042 47 H CA 0.090 56.129 56.048 -0.015 0.000 1.177 47 H CB 0.678 30.445 29.762 0.009 0.000 1.524 47 H HN 0.259 nan 8.280 nan 0.000 0.537 48 E N 1.292 121.489 120.200 -0.005 0.000 2.440 48 E HA -0.182 4.168 4.350 -0.000 0.000 0.246 48 E C -0.712 175.930 176.600 0.070 0.000 1.165 48 E CA 0.279 56.670 56.400 -0.015 0.000 0.726 48 E CB -0.913 28.777 29.700 -0.017 0.000 1.271 48 E HN 0.407 nan 8.360 nan 0.000 0.397 49 T N 1.131 115.747 114.554 0.102 0.000 2.834 49 T HA 0.137 4.487 4.350 -0.000 0.000 0.298 49 T C 0.315 175.088 174.700 0.121 0.000 0.966 49 T CA 0.115 62.284 62.100 0.115 0.000 1.141 49 T CB 1.133 70.078 68.868 0.128 0.000 0.905 49 T HN 0.058 nan 8.240 nan 0.000 0.535 50 T N 3.594 118.223 114.554 0.125 0.000 2.832 50 T HA 0.265 4.615 4.350 -0.000 0.000 0.296 50 T C -0.053 174.737 174.700 0.150 0.000 0.968 50 T CA -0.480 61.706 62.100 0.144 0.000 1.107 50 T CB 0.521 69.474 68.868 0.141 0.000 0.916 50 T HN 0.531 nan 8.240 nan 0.000 0.517 51 D N 1.571 122.078 120.400 0.178 0.000 2.358 51 D HA 0.428 5.068 4.640 -0.000 0.000 0.253 51 D C 0.439 176.851 176.300 0.187 0.000 1.288 51 D CA -0.684 53.412 54.000 0.161 0.000 0.950 51 D CB 0.865 41.742 40.800 0.129 0.000 1.197 51 D HN 0.512 nan 8.370 nan 0.000 0.550 52 A N 2.487 125.451 122.820 0.239 0.000 2.235 52 A HA 0.256 4.576 4.320 -0.000 0.000 0.208 52 A C 1.929 179.713 177.584 0.334 0.000 1.172 52 A CA 1.009 53.289 52.037 0.405 0.000 0.786 52 A CB -0.103 19.114 19.000 0.363 0.000 0.804 52 A HN 0.526 nan 8.150 nan 0.000 0.479 53 A N 0.249 123.176 122.820 0.178 0.000 1.972 53 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 53 A C 1.839 179.480 177.584 0.094 0.000 1.169 53 A CA 1.444 53.556 52.037 0.125 0.000 0.635 53 A CB -0.506 18.545 19.000 0.085 0.000 0.810 53 A HN 0.462 nan 8.150 nan 0.000 0.446 54 I N -1.205 119.383 120.570 0.031 0.000 2.185 54 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 54 I C 2.172 178.211 176.117 -0.130 0.000 1.088 54 I CA 1.647 62.902 61.300 -0.075 0.000 1.347 54 I CB -0.495 37.369 38.000 -0.227 0.000 1.041 54 I HN 0.384 nan 8.210 nan 0.000 0.415 55 F N -0.062 119.911 119.950 0.039 0.000 2.102 55 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 55 F C 2.702 178.492 175.800 -0.017 0.000 1.105 55 F CA 1.473 59.483 58.000 0.017 0.000 1.239 55 F CB -0.618 38.407 39.000 0.042 0.000 0.991 55 F HN -0.098 nan 8.300 nan 0.000 0.474 56 R N 0.837 121.445 120.500 0.179 0.000 2.075 56 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 56 R C 1.945 178.238 176.300 -0.010 0.000 1.126 56 R CA 1.602 57.747 56.100 0.075 0.000 0.963 56 R CB -0.515 29.831 30.300 0.076 0.000 0.858 56 R HN 0.334 nan 8.270 nan 0.000 0.435 57 E N -0.466 119.714 120.200 -0.033 0.000 2.051 57 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 57 E C 2.024 178.409 176.600 -0.357 0.000 0.991 57 E CA 1.710 58.034 56.400 -0.127 0.000 0.799 57 E CB -0.146 29.553 29.700 -0.002 0.000 0.748 57 E HN 0.361 nan 8.360 nan 0.000 0.449 58 M N 0.049 119.413 119.600 -0.393 0.000 2.200 58 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 58 M C 2.441 178.605 176.300 -0.227 0.000 1.066 58 M CA 1.277 56.314 55.300 -0.439 0.000 1.127 58 M CB -0.268 32.144 32.600 -0.313 0.000 1.379 58 M HN 0.204 nan 8.290 nan 0.000 0.420 59 G N -0.015 108.715 108.800 -0.116 0.000 2.422 59 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 59 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 59 G C 1.433 176.281 174.900 -0.087 0.000 1.146 59 G CA 0.602 45.661 45.100 -0.069 0.000 0.769 59 G HN 0.317 nan 8.290 nan 0.000 0.547 60 E N 0.692 120.831 120.200 -0.102 0.000 2.077 60 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 60 E C 2.529 179.069 176.600 -0.099 0.000 0.989 60 E CA 0.965 57.311 56.400 -0.090 0.000 0.800 60 E CB -0.275 29.376 29.700 -0.081 0.000 0.746 60 E HN 0.751 nan 8.360 nan 0.000 0.452 61 I N -2.774 117.711 120.570 -0.141 0.000 3.749 61 I HA 0.306 4.476 4.170 -0.000 0.000 0.314 61 I C 0.930 176.982 176.117 -0.110 0.000 1.267 61 I CA 0.470 61.696 61.300 -0.124 0.000 1.169 61 I CB -0.393 37.517 38.000 -0.149 0.000 1.009 61 I HN 0.011 nan 8.210 nan 0.000 0.444 62 G N 2.390 111.127 108.800 -0.106 0.000 2.272 62 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.280 62 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.280 62 G C 0.317 175.161 174.900 -0.093 0.000 1.067 62 G CA 0.370 45.416 45.100 -0.090 0.000 0.902 62 G HN 0.517 nan 8.290 nan 0.000 0.500 63 L N -1.200 119.960 121.223 -0.105 0.000 2.640 63 L HA 0.371 4.711 4.340 -0.000 0.000 0.230 63 L C 1.237 178.070 176.870 -0.061 0.000 1.123 63 L CA 0.055 54.843 54.840 -0.085 0.000 0.900 63 L CB 0.088 42.081 42.059 -0.110 0.000 1.146 63 L HN 0.237 nan 8.230 nan 0.000 0.484 64 L N -0.106 121.079 121.223 -0.064 0.000 2.325 64 L HA 0.479 4.819 4.340 -0.000 0.000 0.279 64 L C 1.033 177.850 176.870 -0.089 0.000 1.054 64 L CA -0.397 54.419 54.840 -0.041 0.000 0.804 64 L CB 1.263 43.327 42.059 0.009 0.000 1.200 64 L HN 0.174 nan 8.230 nan 0.000 0.436 65 G N 2.950 111.671 108.800 -0.132 0.000 2.366 65 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.299 65 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.299 65 G C -1.390 173.346 174.900 -0.272 0.000 1.020 65 G CA -0.165 44.806 45.100 -0.215 0.000 1.026 65 G HN 0.594 nan 8.290 nan 0.000 0.512 66 P HA -0.186 nan 4.420 nan 0.000 0.217 66 P C 1.948 179.071 177.300 -0.295 0.000 1.148 66 P CA 2.240 65.194 63.100 -0.244 0.000 0.834 66 P CB -0.227 31.373 31.700 -0.167 0.000 0.783 67 T N -4.295 110.010 114.554 -0.414 0.000 3.100 67 T HA 0.082 4.432 4.350 -0.000 0.000 0.253 67 T C 0.991 175.420 174.700 -0.451 0.000 1.118 67 T CA -0.159 61.666 62.100 -0.458 0.000 1.058 67 T CB -0.527 67.950 68.868 -0.652 0.000 0.953 67 T HN -0.171 nan 8.240 nan 0.000 0.515 68 I N 3.532 123.838 120.570 -0.439 0.000 2.598 68 I HA 0.283 4.453 4.170 -0.000 0.000 0.284 68 I C -2.322 173.577 176.117 -0.364 0.000 1.140 68 I CA -3.224 57.758 61.300 -0.531 0.000 1.420 68 I CB 0.080 37.858 38.000 -0.371 0.000 1.387 68 I HN 0.028 nan 8.210 nan 0.000 0.553 69 P HA 0.058 nan 4.420 nan 0.000 0.268 69 P C 0.621 177.856 177.300 -0.107 0.000 1.208 69 P CA -0.071 62.929 63.100 -0.168 0.000 0.777 69 P CB 0.568 32.230 31.700 -0.064 0.000 0.875 70 E N 1.124 121.261 120.200 -0.104 0.000 2.209 70 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 70 E C 1.796 178.325 176.600 -0.119 0.000 0.993 70 E CA 0.862 57.205 56.400 -0.095 0.000 0.819 70 E CB -0.198 29.451 29.700 -0.085 0.000 0.745 70 E HN 0.583 nan 8.360 nan 0.000 0.477 71 Q N 0.179 119.872 119.800 -0.178 0.000 2.173 71 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 71 Q C 0.615 176.350 176.000 -0.442 0.000 0.989 71 Q CA 1.576 57.169 55.803 -0.350 0.000 0.872 71 Q CB -0.013 28.424 28.738 -0.501 0.000 0.909 71 Q HN 0.399 nan 8.270 nan 0.000 0.420 72 Y N -1.535 118.756 120.300 -0.014 0.000 2.681 72 Y HA 0.368 4.918 4.550 -0.000 0.000 0.267 72 Y C 1.120 176.999 175.900 -0.036 0.000 1.166 72 Y CA 0.173 58.272 58.100 -0.002 0.000 1.209 72 Y CB 1.029 39.515 38.460 0.045 0.000 1.161 72 Y HN 0.288 nan 8.280 nan 0.000 0.534 73 G N -0.622 108.197 108.800 0.032 0.000 2.195 73 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 73 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 73 G C 0.807 175.686 174.900 -0.034 0.000 0.984 73 G CA -0.153 44.942 45.100 -0.007 0.000 0.633 73 G HN 0.748 nan 8.290 nan 0.000 0.525 74 G N 0.279 109.052 108.800 -0.045 0.000 2.572 74 G HA2 0.578 4.538 3.960 -0.000 0.000 0.261 74 G HA3 0.578 4.538 3.960 -0.000 0.000 0.261 74 G C -0.527 174.312 174.900 -0.103 0.000 1.197 74 G CA -0.191 44.853 45.100 -0.093 0.000 0.870 74 G HN 0.148 nan 8.290 nan 0.000 0.548 75 P HA 0.070 nan 4.420 nan 0.000 0.241 75 P C 1.071 178.303 177.300 -0.114 0.000 1.191 75 P CA 0.881 63.919 63.100 -0.104 0.000 0.771 75 P CB 0.382 32.023 31.700 -0.099 0.000 0.929 76 G N 0.452 109.163 108.800 -0.147 0.000 2.295 76 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.287 76 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.287 76 G C -0.124 174.691 174.900 -0.142 0.000 1.055 76 G CA -0.063 44.946 45.100 -0.152 0.000 0.922 76 G HN 0.289 nan 8.290 nan 0.000 0.503 77 L N -0.164 120.963 121.223 -0.161 0.000 2.431 77 L HA 0.587 4.927 4.340 -0.000 0.000 0.260 77 L C 0.924 177.689 176.870 -0.175 0.000 1.098 77 L CA -0.896 53.862 54.840 -0.137 0.000 0.800 77 L CB 0.519 42.509 42.059 -0.115 0.000 1.210 77 L HN 0.407 nan 8.230 nan 0.000 0.465 78 D N -1.543 118.783 120.400 -0.123 0.000 2.423 78 D HA 0.025 4.665 4.640 -0.000 0.000 0.255 78 D C 0.610 176.845 176.300 -0.107 0.000 1.174 78 D CA -0.129 53.796 54.000 -0.125 0.000 1.008 78 D CB 0.386 41.172 40.800 -0.023 0.000 1.101 78 D HN 0.358 nan 8.370 nan 0.000 0.516 79 Y N -0.535 119.774 120.300 0.015 0.000 2.333 79 Y HA -0.103 4.447 4.550 -0.000 0.000 0.290 79 Y C 2.362 178.354 175.900 0.153 0.000 1.144 79 Y CA 0.798 58.941 58.100 0.072 0.000 1.228 79 Y CB -0.337 38.043 38.460 -0.132 0.000 0.985 79 Y HN 0.175 nan 8.280 nan 0.000 0.542 80 V N -1.285 118.757 119.914 0.214 0.000 2.343 80 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 80 V C 2.265 178.230 176.094 -0.215 0.000 1.051 80 V CA 2.101 64.435 62.300 0.057 0.000 1.036 80 V CB -0.828 31.059 31.823 0.106 0.000 0.654 80 V HN 0.329 nan 8.190 nan 0.000 0.451 81 S N -1.357 114.285 115.700 -0.098 0.000 2.359 81 S HA -0.258 4.212 4.470 -0.000 0.000 0.224 81 S C 1.805 176.339 174.600 -0.110 0.000 1.035 81 S CA 1.970 60.097 58.200 -0.122 0.000 1.018 81 S CB -0.538 62.620 63.200 -0.070 0.000 0.876 81 S HN 0.718 nan 8.310 nan 0.000 0.448 82 Y N 2.035 122.233 120.300 -0.170 0.000 2.114 82 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 82 Y C 2.503 178.230 175.900 -0.289 0.000 1.165 82 Y CA 1.182 59.205 58.100 -0.129 0.000 1.148 82 Y CB -0.775 37.701 38.460 0.028 0.000 0.972 82 Y HN 0.330 nan 8.280 nan 0.000 0.504 83 G N 0.630 109.018 108.800 -0.687 0.000 2.459 83 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 83 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 83 G C 1.552 175.701 174.900 -1.252 0.000 1.183 83 G CA 1.401 45.444 45.100 -1.761 0.000 0.776 83 G HN 0.452 nan 8.290 nan 0.000 0.552 84 L N 0.152 120.760 121.223 -1.025 0.000 2.079 84 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 84 L C 2.865 179.616 176.870 -0.198 0.000 1.081 84 L CA 0.691 55.251 54.840 -0.468 0.000 0.752 84 L CB -0.385 41.489 42.059 -0.308 0.000 0.896 84 L HN 0.229 nan 8.230 nan 0.000 0.433 85 I N -0.143 120.325 120.570 -0.170 0.000 2.142 85 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 85 I C 2.827 178.927 176.117 -0.027 0.000 1.078 85 I CA 1.275 62.547 61.300 -0.047 0.000 1.343 85 I CB -0.557 37.451 38.000 0.013 0.000 1.046 85 I HN 0.195 nan 8.210 nan 0.000 0.405 86 A N 0.799 123.563 122.820 -0.093 0.000 1.940 86 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 86 A C 2.442 180.025 177.584 -0.002 0.000 1.176 86 A CA 1.979 53.977 52.037 -0.064 0.000 0.631 86 A CB -0.703 18.178 19.000 -0.199 0.000 0.814 86 A HN 0.412 nan 8.150 nan 0.000 0.446 87 R N -0.557 119.954 120.500 0.018 0.000 2.075 87 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 87 R C 1.768 178.114 176.300 0.076 0.000 1.126 87 R CA 1.590 57.745 56.100 0.091 0.000 0.963 87 R CB -0.188 30.233 30.300 0.202 0.000 0.858 87 R HN 0.402 nan 8.270 nan 0.000 0.435 88 E N 0.200 120.442 120.200 0.069 0.000 2.106 88 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 88 E C 2.074 178.715 176.600 0.070 0.000 0.984 88 E CA 1.060 57.512 56.400 0.088 0.000 0.806 88 E CB -0.099 29.664 29.700 0.105 0.000 0.750 88 E HN 0.232 nan 8.360 nan 0.000 0.458 89 V N 0.998 120.956 119.914 0.073 0.000 2.323 89 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 89 V C 2.401 178.565 176.094 0.117 0.000 1.041 89 V CA 1.874 64.230 62.300 0.094 0.000 1.025 89 V CB -0.425 31.462 31.823 0.108 0.000 0.656 89 V HN 0.216 nan 8.190 nan 0.000 0.451 90 E N 0.226 120.484 120.200 0.096 0.000 2.204 90 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 90 E C 2.365 179.044 176.600 0.132 0.000 0.990 90 E CA 0.838 57.299 56.400 0.102 0.000 0.821 90 E CB -0.151 29.586 29.700 0.062 0.000 0.750 90 E HN 0.398 nan 8.360 nan 0.000 0.477 91 R N -0.176 120.382 120.500 0.098 0.000 2.117 91 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 91 R C 1.831 178.239 176.300 0.181 0.000 1.143 91 R CA 1.651 57.804 56.100 0.089 0.000 0.968 91 R CB -0.047 30.293 30.300 0.066 0.000 0.863 91 R HN 0.144 nan 8.270 nan 0.000 0.444 92 V N -0.623 119.384 119.914 0.155 0.000 2.283 92 V HA -0.022 4.098 4.120 -0.000 0.000 0.239 92 V C 0.380 176.546 176.094 0.120 0.000 1.035 92 V CA 1.552 63.938 62.300 0.143 0.000 1.018 92 V CB -0.194 31.696 31.823 0.112 0.000 0.658 92 V HN 0.373 nan 8.190 nan 0.000 0.459 93 D N -2.832 117.647 120.400 0.133 0.000 2.886 93 D HA 0.294 4.934 4.640 -0.000 0.000 0.216 93 D C 0.501 176.809 176.300 0.013 0.000 1.256 93 D CA -0.022 53.954 54.000 -0.040 0.000 0.844 93 D CB 1.923 42.563 40.800 -0.267 0.000 1.669 93 D HN -0.079 nan 8.370 nan 0.000 0.513 94 S N 1.166 116.868 115.700 0.004 0.000 2.399 94 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 94 S C 1.947 176.545 174.600 -0.003 0.000 1.022 94 S CA 1.059 59.273 58.200 0.022 0.000 0.983 94 S CB -0.144 63.074 63.200 0.031 0.000 0.803 94 S HN 0.645 nan 8.310 nan 0.000 0.480 95 G N 0.418 109.177 108.800 -0.068 0.000 2.421 95 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 95 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 95 G C 1.105 175.980 174.900 -0.041 0.000 1.171 95 G CA 0.642 45.692 45.100 -0.083 0.000 0.775 95 G HN 0.587 nan 8.290 nan 0.000 0.543 96 Y N 0.045 120.359 120.300 0.023 0.000 2.224 96 Y HA -0.072 4.478 4.550 0.000 0.000 0.289 96 Y C 3.075 178.967 175.900 -0.014 0.000 1.146 96 Y CA 0.933 59.025 58.100 -0.014 0.000 1.182 96 Y CB -0.054 38.398 38.460 -0.014 0.000 0.983 96 Y HN 0.025 nan 8.280 nan 0.000 0.524 97 R N 0.666 121.255 120.500 0.149 0.000 2.092 97 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 97 R C 2.077 178.418 176.300 0.068 0.000 1.119 97 R CA 1.522 57.677 56.100 0.092 0.000 0.970 97 R CB -0.435 29.903 30.300 0.062 0.000 0.864 97 R HN 0.273 nan 8.270 nan 0.000 0.440 98 S N 1.160 116.892 115.700 0.052 0.000 2.359 98 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 98 S C 2.076 176.733 174.600 0.095 0.000 1.035 98 S CA 1.765 59.990 58.200 0.043 0.000 1.018 98 S CB -0.244 62.974 63.200 0.031 0.000 0.876 98 S HN 0.316 nan 8.310 nan 0.000 0.448 99 M N 0.712 120.380 119.600 0.113 0.000 2.080 99 M HA -0.125 4.354 4.480 -0.000 0.000 0.260 99 M C 2.491 178.897 176.300 0.177 0.000 1.068 99 M CA 1.549 56.945 55.300 0.161 0.000 1.109 99 M CB -0.432 32.131 32.600 -0.061 0.000 1.342 99 M HN 0.321 nan 8.290 nan 0.000 0.405 100 M N -0.388 119.259 119.600 0.079 0.000 2.200 100 M HA -0.148 4.332 4.480 -0.000 0.000 0.265 100 M C 2.046 178.437 176.300 0.153 0.000 1.066 100 M CA 1.602 56.967 55.300 0.107 0.000 1.127 100 M CB -0.117 32.529 32.600 0.077 0.000 1.379 100 M HN 0.168 nan 8.290 nan 0.000 0.420 101 S N 0.403 116.185 115.700 0.136 0.000 2.370 101 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 101 S C 1.850 176.510 174.600 0.101 0.000 1.033 101 S CA 1.570 59.852 58.200 0.137 0.000 1.011 101 S CB -0.526 62.710 63.200 0.060 0.000 0.852 101 S HN 0.426 nan 8.310 nan 0.000 0.457 102 V N 1.852 121.830 119.914 0.106 0.000 2.261 102 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 102 V C 2.708 178.871 176.094 0.114 0.000 1.047 102 V CA 1.555 63.917 62.300 0.104 0.000 1.015 102 V CB -0.652 31.264 31.823 0.156 0.000 0.642 102 V HN 0.404 nan 8.190 nan 0.000 0.446 103 Q N -0.025 119.876 119.800 0.168 0.000 2.030 103 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 103 Q C 2.514 178.555 176.000 0.070 0.000 0.986 103 Q CA 2.277 58.163 55.803 0.140 0.000 0.843 103 Q CB -0.492 28.374 28.738 0.213 0.000 0.904 103 Q HN 0.666 nan 8.270 nan 0.000 0.420 104 S N 0.308 116.035 115.700 0.044 0.000 2.325 104 S HA -0.031 4.439 4.470 -0.000 0.000 0.213 104 S C 2.185 176.742 174.600 -0.072 0.000 1.031 104 S CA 1.191 59.352 58.200 -0.065 0.000 0.984 104 S CB -0.194 62.920 63.200 -0.143 0.000 0.939 104 S HN 0.247 nan 8.310 nan 0.000 0.438 105 S N 1.201 116.895 115.700 -0.011 0.000 2.406 105 S HA 0.249 4.719 4.470 -0.000 0.000 0.224 105 S C 1.635 176.220 174.600 -0.025 0.000 1.030 105 S CA 0.543 58.747 58.200 0.007 0.000 0.958 105 S CB -0.164 63.099 63.200 0.106 0.000 0.811 105 S HN 0.285 nan 8.310 nan 0.000 0.489 106 L N 0.534 121.721 121.223 -0.059 0.000 2.529 106 L HA 0.196 4.536 4.340 -0.000 0.000 0.223 106 L C 1.245 178.226 176.870 0.184 0.000 1.113 106 L CA 0.262 55.012 54.840 -0.151 0.000 0.861 106 L CB 0.074 41.896 42.059 -0.395 0.000 1.012 106 L HN 0.194 nan 8.230 nan 0.000 0.461 107 V N -1.734 118.261 119.914 0.136 0.000 3.161 107 V HA 0.035 4.155 4.120 -0.000 0.000 0.221 107 V C 1.924 178.074 176.094 0.093 0.000 1.296 107 V CA 0.312 62.695 62.300 0.138 0.000 1.306 107 V CB 0.286 32.158 31.823 0.081 0.000 1.171 107 V HN 0.134 nan 8.190 nan 0.000 0.513 108 M N 0.022 119.656 119.600 0.057 0.000 2.254 108 M HA -0.090 4.389 4.480 -0.000 0.000 0.265 108 M C 2.138 178.464 176.300 0.042 0.000 1.066 108 M CA 1.409 56.731 55.300 0.037 0.000 1.123 108 M CB -0.315 32.280 32.600 -0.009 0.000 1.388 108 M HN 0.232 nan 8.290 nan 0.000 0.425 109 V N 1.324 121.255 119.914 0.030 0.000 2.261 109 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 109 V C -0.530 175.578 176.094 0.024 0.000 1.047 109 V CA 2.114 64.435 62.300 0.034 0.000 1.015 109 V CB -1.900 29.933 31.823 0.016 0.000 0.642 109 V HN 0.270 nan 8.190 nan 0.000 0.446 110 P HA -0.166 nan 4.420 nan 0.000 0.216 110 P C 1.780 179.142 177.300 0.104 0.000 1.150 110 P CA 1.736 64.964 63.100 0.213 0.000 0.837 110 P CB -0.023 31.999 31.700 0.536 0.000 0.786 111 I N -1.687 118.931 120.570 0.080 0.000 2.202 111 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 111 I C 2.520 178.642 176.117 0.008 0.000 1.091 111 I CA 1.235 62.559 61.300 0.040 0.000 1.368 111 I CB -0.716 37.307 38.000 0.039 0.000 1.058 111 I HN -0.188 nan 8.210 nan 0.000 0.410 112 F N 1.895 121.759 119.950 -0.143 0.000 2.102 112 F HA -0.227 4.299 4.527 -0.000 0.000 0.298 112 F C 2.527 178.212 175.800 -0.192 0.000 1.105 112 F CA 1.730 59.615 58.000 -0.193 0.000 1.239 112 F CB -0.183 38.717 39.000 -0.166 0.000 0.991 112 F HN 0.007 nan 8.300 nan 0.000 0.474 113 E N -0.342 119.641 120.200 -0.363 0.000 2.072 113 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 113 E C 1.861 178.162 176.600 -0.499 0.000 0.982 113 E CA 1.353 57.366 56.400 -0.646 0.000 0.803 113 E CB -0.515 28.572 29.700 -1.023 0.000 0.755 113 E HN 0.467 nan 8.360 nan 0.000 0.453 114 F N -0.217 119.749 119.950 0.026 0.000 2.706 114 F HA 0.335 4.862 4.527 -0.000 0.000 0.308 114 F C 1.362 177.178 175.800 0.026 0.000 1.095 114 F CA -0.316 57.725 58.000 0.068 0.000 1.244 114 F CB -0.180 38.880 39.000 0.099 0.000 1.063 114 F HN -0.180 nan 8.300 nan 0.000 0.582 115 G N 0.301 109.160 108.800 0.098 0.000 2.528 115 G HA2 0.413 4.373 3.960 -0.000 0.000 0.289 115 G HA3 0.413 4.373 3.960 -0.000 0.000 0.289 115 G C -0.042 174.881 174.900 0.039 0.000 1.192 115 G CA -0.290 44.826 45.100 0.026 0.000 0.921 115 G HN 0.193 nan 8.290 nan 0.000 0.512 116 S N -0.282 115.418 115.700 0.000 0.000 2.632 116 S HA 0.166 4.636 4.470 -0.000 0.000 0.267 116 S C 0.714 175.348 174.600 0.058 0.000 1.276 116 S CA -0.161 58.066 58.200 0.045 0.000 0.998 116 S CB 1.336 64.543 63.200 0.012 0.000 0.953 116 S HN 0.462 nan 8.310 nan 0.000 0.547 117 D N 1.614 122.068 120.400 0.090 0.000 2.149 117 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 117 D C 2.175 178.539 176.300 0.106 0.000 1.001 117 D CA 2.081 56.148 54.000 0.112 0.000 0.849 117 D CB -0.896 39.980 40.800 0.126 0.000 0.939 117 D HN 0.713 nan 8.370 nan 0.000 0.449 118 A N 0.523 123.394 122.820 0.086 0.000 1.877 118 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 118 A C 2.149 179.783 177.584 0.084 0.000 1.186 118 A CA 1.681 53.765 52.037 0.078 0.000 0.620 118 A CB -0.675 18.364 19.000 0.065 0.000 0.822 118 A HN 0.237 nan 8.150 nan 0.000 0.443 119 Q N -0.332 119.534 119.800 0.110 0.000 2.050 119 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 119 Q C 2.141 178.263 176.000 0.203 0.000 0.980 119 Q CA 1.765 57.700 55.803 0.219 0.000 0.840 119 Q CB -0.193 28.655 28.738 0.182 0.000 0.898 119 Q HN 0.620 nan 8.270 nan 0.000 0.424 120 K N 0.724 121.150 120.400 0.043 0.000 2.026 120 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 120 K C 1.961 178.550 176.600 -0.019 0.000 1.048 120 K CA 1.316 57.517 56.287 -0.142 0.000 0.929 120 K CB -0.032 32.151 32.500 -0.528 0.000 0.713 120 K HN 0.253 nan 8.250 nan 0.000 0.439 121 E N 0.623 120.905 120.200 0.137 0.000 2.150 121 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 121 E C 2.024 178.687 176.600 0.104 0.000 0.985 121 E CA 0.924 57.458 56.400 0.225 0.000 0.814 121 E CB 0.135 29.948 29.700 0.188 0.000 0.752 121 E HN 0.196 nan 8.360 nan 0.000 0.466 122 K N -0.069 120.351 120.400 0.032 0.000 2.044 122 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 122 K C 1.634 178.205 176.600 -0.048 0.000 1.045 122 K CA 0.986 57.218 56.287 -0.092 0.000 0.951 122 K CB 0.086 32.413 32.500 -0.289 0.000 0.738 122 K HN 0.076 nan 8.250 nan 0.000 0.443 123 Y N 0.927 121.353 120.300 0.210 0.000 2.301 123 Y HA 0.041 4.591 4.550 0.000 0.000 0.295 123 Y C 2.039 178.056 175.900 0.196 0.000 1.119 123 Y CA 0.517 58.791 58.100 0.289 0.000 1.162 123 Y CB -0.115 38.457 38.460 0.187 0.000 1.046 123 Y HN -0.059 nan 8.280 nan 0.000 0.538 124 L N 0.012 121.381 121.223 0.243 0.000 2.046 124 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 124 L C -0.574 176.361 176.870 0.108 0.000 1.077 124 L CA 1.283 56.214 54.840 0.153 0.000 0.747 124 L CB -1.750 40.364 42.059 0.092 0.000 0.896 124 L HN 0.183 nan 8.230 nan 0.000 0.432 125 P HA -0.154 nan 4.420 nan 0.000 0.217 125 P C 1.371 178.632 177.300 -0.064 0.000 1.150 125 P CA 1.351 64.455 63.100 0.008 0.000 0.832 125 P CB 0.043 31.734 31.700 -0.014 0.000 0.787 126 K N -0.813 119.507 120.400 -0.134 0.000 2.167 126 K HA 0.042 4.362 4.320 -0.000 0.000 0.203 126 K C 2.010 178.590 176.600 -0.032 0.000 1.052 126 K CA 0.799 56.937 56.287 -0.249 0.000 0.956 126 K CB -0.512 31.511 32.500 -0.796 0.000 0.735 126 K HN 0.161 nan 8.250 nan 0.000 0.451 127 L N 0.492 121.783 121.223 0.113 0.000 2.093 127 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 127 L C 2.496 179.407 176.870 0.068 0.000 1.085 127 L CA 1.028 55.950 54.840 0.137 0.000 0.755 127 L CB -0.461 41.697 42.059 0.164 0.000 0.904 127 L HN 0.162 nan 8.230 nan 0.000 0.435 128 A N -0.121 122.717 122.820 0.030 0.000 1.969 128 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 128 A C 2.319 179.893 177.584 -0.016 0.000 1.169 128 A CA 1.966 54.001 52.037 -0.004 0.000 0.635 128 A CB -0.752 18.237 19.000 -0.018 0.000 0.810 128 A HN 0.499 nan 8.150 nan 0.000 0.445 129 T N -4.504 110.035 114.554 -0.025 0.000 3.100 129 T HA 0.387 4.737 4.350 -0.000 0.000 0.253 129 T C 1.427 176.125 174.700 -0.004 0.000 1.118 129 T CA 1.055 63.133 62.100 -0.036 0.000 1.058 129 T CB 0.052 68.880 68.868 -0.067 0.000 0.953 129 T HN 1.628 nan 8.240 nan 0.000 0.515 130 G N 1.526 110.349 108.800 0.039 0.000 2.148 130 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 130 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 130 G C 0.607 175.555 174.900 0.081 0.000 0.981 130 G CA 0.493 45.658 45.100 0.108 0.000 0.670 130 G HN 0.569 nan 8.290 nan 0.000 0.528 131 E N -1.569 118.634 120.200 0.005 0.000 2.072 131 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 131 E C 0.668 177.318 176.600 0.084 0.000 0.985 131 E CA 0.937 57.313 56.400 -0.040 0.000 0.801 131 E CB 0.116 29.685 29.700 -0.217 0.000 0.750 131 E HN 0.547 nan 8.360 nan 0.000 0.452 132 W N 0.672 121.966 121.300 -0.010 0.000 2.520 132 W HA 0.457 5.117 4.660 -0.000 0.000 0.323 132 W C -0.223 176.224 176.519 -0.120 0.000 1.062 132 W CA -1.224 56.099 57.345 -0.038 0.000 1.215 132 W CB 0.404 29.874 29.460 0.016 0.000 1.340 132 W HN -0.132 nan 8.180 nan 0.000 0.516 133 I N 2.706 123.271 120.570 -0.009 0.000 2.392 133 I HA 0.531 4.701 4.170 -0.000 0.000 0.295 133 I C 0.914 176.852 176.117 -0.297 0.000 0.985 133 I CA -0.482 60.616 61.300 -0.337 0.000 1.221 133 I CB 1.193 38.823 38.000 -0.617 0.000 1.366 133 I HN 0.387 nan 8.210 nan 0.000 0.467 134 G N 4.231 112.871 108.800 -0.267 0.000 2.441 134 G HA2 0.637 4.597 3.960 -0.000 0.000 0.334 134 G HA3 0.637 4.597 3.960 -0.000 0.000 0.334 134 G C -0.886 173.878 174.900 -0.227 0.000 1.161 134 G CA -0.469 44.498 45.100 -0.223 0.000 0.935 134 G HN 0.878 nan 8.290 nan 0.000 0.488 135 C N -0.627 118.524 119.300 -0.249 0.000 3.171 135 C HA 0.847 5.307 4.460 -0.000 0.000 0.308 135 C C -0.996 174.062 174.990 0.112 0.000 1.334 135 C CA -1.528 57.446 59.018 -0.074 0.000 1.473 135 C CB 0.957 28.598 27.740 -0.164 0.000 1.866 135 C HN 0.703 nan 8.230 nan 0.000 0.465 136 F N 1.648 121.643 119.950 0.075 0.000 2.382 136 F HA 0.626 5.153 4.527 -0.000 0.000 0.361 136 F C 0.491 176.431 175.800 0.233 0.000 1.109 136 F CA -0.098 58.011 58.000 0.182 0.000 1.031 136 F CB 1.045 40.176 39.000 0.217 0.000 1.234 136 F HN 1.062 nan 8.300 nan 0.000 0.445 137 G N 6.771 115.519 108.800 -0.087 0.000 2.696 137 G HA2 0.399 4.359 3.960 -0.000 0.000 0.329 137 G HA3 0.399 4.359 3.960 -0.000 0.000 0.329 137 G C -0.344 174.506 174.900 -0.083 0.000 0.973 137 G CA -0.191 44.890 45.100 -0.033 0.000 1.257 137 G HN 0.728 nan 8.290 nan 0.000 0.456 138 L N 2.212 123.379 121.223 -0.093 0.000 2.738 138 L HA 0.365 4.705 4.340 -0.000 0.000 0.175 138 L C 1.486 178.400 176.870 0.074 0.000 1.125 138 L CA 0.755 55.576 54.840 -0.032 0.000 0.857 138 L CB -0.146 41.828 42.059 -0.142 0.000 1.300 138 L HN 0.301 nan 8.230 nan 0.000 0.499 139 T N 1.727 116.361 114.554 0.133 0.000 2.937 139 T HA 0.180 4.530 4.350 -0.000 0.000 0.316 139 T C -0.214 174.555 174.700 0.114 0.000 1.079 139 T CA 0.064 62.245 62.100 0.134 0.000 1.131 139 T CB 0.224 69.202 68.868 0.183 0.000 1.000 139 T HN 0.275 nan 8.240 nan 0.000 0.549 140 E N 1.679 121.937 120.200 0.096 0.000 2.336 140 E HA 0.434 4.784 4.350 -0.000 0.000 0.267 140 E C -2.117 174.536 176.600 0.089 0.000 0.906 140 E CA -1.987 54.461 56.400 0.079 0.000 0.781 140 E CB 1.331 31.064 29.700 0.055 0.000 1.261 140 E HN 0.477 nan 8.360 nan 0.000 0.436 150 M N 1.752 121.366 119.600 0.024 0.000 2.311 150 M HA 0.554 5.034 4.480 -0.000 0.000 0.325 150 M C -0.119 176.200 176.300 0.031 0.000 1.061 150 M CA -0.668 54.652 55.300 0.033 0.000 0.957 150 M CB 1.812 34.438 32.600 0.045 0.000 1.646 150 M HN 0.076 nan 8.290 nan 0.000 0.434 151 V N 1.969 121.900 119.914 0.028 0.000 2.535 151 V HA -0.033 4.087 4.120 -0.000 0.000 0.246 151 V C 1.005 177.109 176.094 0.017 0.000 1.045 151 V CA 1.196 63.508 62.300 0.020 0.000 1.058 151 V CB -0.501 31.331 31.823 0.015 0.000 0.689 151 V HN 0.918 nan 8.190 nan 0.000 0.461 152 T N 2.648 117.215 114.554 0.021 0.000 2.908 152 T HA 0.214 4.564 4.350 -0.000 0.000 0.301 152 T C 0.086 174.792 174.700 0.011 0.000 1.019 152 T CA 0.482 62.586 62.100 0.007 0.000 1.152 152 T CB 0.263 69.138 68.868 0.011 0.000 0.966 152 T HN 0.441 nan 8.240 nan 0.000 0.540 153 R N 1.343 121.831 120.500 -0.020 0.000 2.628 153 R HA 0.649 4.989 4.340 -0.000 0.000 0.288 153 R C -1.010 175.243 176.300 -0.079 0.000 0.980 153 R CA -0.706 55.384 56.100 -0.017 0.000 0.891 153 R CB 1.223 31.522 30.300 -0.002 0.000 1.188 153 R HN 0.699 nan 8.270 nan 0.000 0.450 154 A N 3.695 126.468 122.820 -0.079 0.000 2.295 154 A HA 0.683 5.003 4.320 -0.000 0.000 0.318 154 A C -0.696 176.896 177.584 0.014 0.000 1.134 154 A CA -0.660 51.287 52.037 -0.150 0.000 0.827 154 A CB 0.887 19.703 19.000 -0.306 0.000 1.136 154 A HN 0.813 nan 8.150 nan 0.000 0.493 155 R N 0.788 121.315 120.500 0.046 0.000 2.621 155 R HA 0.321 4.661 4.340 -0.000 0.000 0.284 155 R C -0.983 175.383 176.300 0.110 0.000 0.998 155 R CA -0.697 55.451 56.100 0.080 0.000 0.895 155 R CB 2.305 32.623 30.300 0.030 0.000 1.195 155 R HN 0.749 nan 8.270 nan 0.000 0.450 156 K N 2.232 122.685 120.400 0.090 0.000 2.350 156 K HA 0.320 4.640 4.320 -0.000 0.000 0.279 156 K C -0.017 176.550 176.600 -0.055 0.000 1.027 156 K CA -0.332 55.931 56.287 -0.040 0.000 0.969 156 K CB 0.932 33.409 32.500 -0.040 0.000 0.954 156 K HN 0.365 nan 8.250 nan 0.000 0.474 157 V N -1.005 118.849 119.914 -0.101 0.000 3.188 157 V HA 0.475 4.595 4.120 -0.000 0.000 0.305 157 V C -2.743 173.328 176.094 -0.038 0.000 1.232 157 V CA -2.606 59.676 62.300 -0.031 0.000 1.043 157 V CB 1.497 33.344 31.823 0.040 0.000 1.068 157 V HN 0.600 nan 8.190 nan 0.000 0.439 158 P HA 0.249 nan 4.420 nan 0.000 0.265 158 P C 1.082 178.414 177.300 0.053 0.000 1.187 158 P CA 1.750 64.839 63.100 -0.018 0.000 0.766 158 P CB 0.684 32.360 31.700 -0.040 0.000 0.820 159 G N 1.432 110.267 108.800 0.057 0.000 2.435 159 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.245 159 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.245 159 G C 0.503 175.520 174.900 0.195 0.000 1.073 159 G CA 0.753 45.955 45.100 0.170 0.000 0.638 159 G HN 1.002 nan 8.290 nan 0.000 0.521 160 G N -1.693 107.181 108.800 0.123 0.000 2.818 160 G HA2 0.604 4.564 3.960 -0.000 0.000 0.109 160 G HA3 0.604 4.564 3.960 -0.000 0.000 0.109 160 G C -1.127 173.440 174.900 -0.555 0.000 1.206 160 G CA 0.087 45.049 45.100 -0.230 0.000 1.243 160 G HN 0.775 nan 8.290 nan 0.000 0.609 161 Y N -0.482 119.738 120.300 -0.134 0.000 2.609 161 Y HA 0.742 5.292 4.550 -0.000 0.000 0.342 161 Y C 0.058 175.884 175.900 -0.124 0.000 1.058 161 Y CA -0.683 57.352 58.100 -0.108 0.000 1.055 161 Y CB 2.567 40.925 38.460 -0.169 0.000 1.292 161 Y HN 0.557 nan 8.280 nan 0.000 0.476 162 S N 1.814 117.542 115.700 0.046 0.000 2.647 162 S HA 0.740 5.210 4.470 -0.000 0.000 0.300 162 S C -1.825 172.715 174.600 -0.100 0.000 1.129 162 S CA -0.431 57.767 58.200 -0.004 0.000 1.029 162 S CB 0.250 63.476 63.200 0.042 0.000 1.007 162 S HN 0.510 nan 8.310 nan 0.000 0.484 163 L N 3.692 124.815 121.223 -0.166 0.000 2.334 163 L HA 0.736 5.076 4.340 -0.000 0.000 0.276 163 L C -0.219 176.569 176.870 -0.136 0.000 1.014 163 L CA -0.009 54.702 54.840 -0.215 0.000 0.815 163 L CB 2.212 44.059 42.059 -0.355 0.000 1.268 163 L HN 0.740 nan 8.230 nan 0.000 0.428 164 S N 0.670 116.303 115.700 -0.111 0.000 2.546 164 S HA 0.956 5.425 4.470 -0.000 0.000 0.272 164 S C -0.348 174.214 174.600 -0.063 0.000 1.140 164 S CA -0.403 57.750 58.200 -0.077 0.000 0.920 164 S CB 2.004 65.172 63.200 -0.053 0.000 1.083 164 S HN 1.090 nan 8.310 nan 0.000 0.476 165 G N 0.961 109.729 108.800 -0.054 0.000 2.368 165 G HA2 0.413 4.373 3.960 -0.000 0.000 0.302 165 G HA3 0.413 4.373 3.960 -0.000 0.000 0.302 165 G C -1.582 173.296 174.900 -0.036 0.000 1.329 165 G CA -0.720 44.358 45.100 -0.036 0.000 0.935 165 G HN 0.747 nan 8.290 nan 0.000 0.590 166 S N -0.041 115.649 115.700 -0.018 0.000 2.536 166 S HA 0.774 5.244 4.470 -0.000 0.000 0.287 166 S C -0.717 173.888 174.600 0.009 0.000 1.101 166 S CA -0.848 57.344 58.200 -0.014 0.000 0.950 166 S CB 1.825 65.017 63.200 -0.014 0.000 1.056 166 S HN 0.603 nan 8.310 nan 0.000 0.481 167 K N 1.735 122.144 120.400 0.015 0.000 2.259 167 K HA 0.632 4.952 4.320 -0.000 0.000 0.252 167 K C -0.798 175.830 176.600 0.046 0.000 0.936 167 K CA -0.717 55.599 56.287 0.049 0.000 0.810 167 K CB 1.942 34.481 32.500 0.065 0.000 1.143 167 K HN 0.565 nan 8.250 nan 0.000 0.427 168 M N 0.438 120.090 119.600 0.087 0.000 2.591 168 M HA 0.338 4.817 4.480 -0.000 0.000 0.306 168 M C -1.339 175.082 176.300 0.202 0.000 1.190 168 M CA 0.065 55.397 55.300 0.053 0.000 0.889 168 M CB 1.169 33.814 32.600 0.076 0.000 1.728 168 M HN 0.594 nan 8.290 nan 0.000 0.458 169 W N 3.693 125.033 121.300 0.068 0.000 5.963 169 W HA -0.174 4.486 4.660 -0.000 0.000 0.400 169 W C -0.932 175.680 176.519 0.156 0.000 1.530 169 W CA -0.102 57.301 57.345 0.098 0.000 1.004 169 W CB -1.742 27.768 29.460 0.083 0.000 2.706 169 W HN 0.300 nan 8.180 nan 0.000 1.495 170 I N 1.276 121.990 120.570 0.239 0.000 2.291 170 I HA 0.123 4.292 4.170 -0.000 0.000 0.290 170 I C 1.249 177.489 176.117 0.205 0.000 1.050 170 I CA -0.418 61.027 61.300 0.243 0.000 1.245 170 I CB 0.131 38.243 38.000 0.187 0.000 1.405 170 I HN 0.035 nan 8.210 nan 0.000 0.478 171 T N 5.130 119.830 114.554 0.244 0.000 2.916 171 T HA 0.106 4.456 4.350 -0.000 0.000 0.303 171 T C 0.974 175.763 174.700 0.149 0.000 1.025 171 T CA 0.391 62.609 62.100 0.197 0.000 1.142 171 T CB 0.204 69.193 68.868 0.202 0.000 0.947 171 T HN 0.680 nan 8.240 nan 0.000 0.544 172 N N 1.124 119.899 118.700 0.126 0.000 2.980 172 N HA -0.227 4.513 4.740 -0.000 0.000 0.219 172 N C 1.359 176.849 175.510 -0.034 0.000 0.883 172 N CA 1.831 54.915 53.050 0.056 0.000 1.018 172 N CB -1.958 36.531 38.487 0.004 0.000 1.041 172 N HN 0.832 nan 8.380 nan 0.000 0.592 173 S N -0.068 115.639 115.700 0.011 0.000 2.368 173 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 173 S C -0.875 173.763 174.600 0.063 0.000 1.030 173 S CA 1.475 59.688 58.200 0.021 0.000 0.999 173 S CB -0.962 62.321 63.200 0.138 0.000 0.844 173 S HN 0.238 nan 8.310 nan 0.000 0.459 174 P HA 0.109 nan 4.420 nan 0.000 0.230 174 P C 1.206 178.536 177.300 0.051 0.000 1.158 174 P CA 0.770 63.902 63.100 0.054 0.000 0.769 174 P CB -0.337 31.373 31.700 0.017 0.000 0.807 175 I N -6.412 114.165 120.570 0.011 0.000 4.154 175 I HA 0.475 4.645 4.170 -0.000 0.000 0.334 175 I C 0.526 176.580 176.117 -0.105 0.000 1.371 175 I CA -0.754 60.538 61.300 -0.013 0.000 1.110 175 I CB 0.095 38.102 38.000 0.011 0.000 1.085 175 I HN -0.301 nan 8.210 nan 0.000 0.398 176 A N 1.396 124.100 122.820 -0.192 0.000 2.388 176 A HA 0.285 4.605 4.320 -0.000 0.000 0.257 176 A C 0.498 177.898 177.584 -0.307 0.000 1.095 176 A CA -0.192 51.592 52.037 -0.422 0.000 0.791 176 A CB 0.254 18.732 19.000 -0.869 0.000 1.029 176 A HN 0.405 nan 8.150 nan 0.000 0.489 177 D N 0.511 120.736 120.400 -0.292 0.000 2.338 177 D HA 0.108 4.747 4.640 -0.000 0.000 0.208 177 D C -0.092 176.044 176.300 -0.273 0.000 0.997 177 D CA 1.040 54.898 54.000 -0.237 0.000 0.880 177 D CB 0.457 41.057 40.800 -0.334 0.000 0.980 177 D HN 0.253 nan 8.370 nan 0.000 0.509 178 V N 1.176 120.867 119.914 -0.370 0.000 2.604 178 V HA 0.369 4.489 4.120 -0.000 0.000 0.305 178 V C -0.980 174.868 176.094 -0.409 0.000 1.043 178 V CA -0.734 61.407 62.300 -0.266 0.000 0.888 178 V CB 1.946 33.649 31.823 -0.200 0.000 0.995 178 V HN -0.107 nan 8.190 nan 0.000 0.429 179 F N 2.813 122.647 119.950 -0.194 0.000 2.499 179 F HA 0.553 5.080 4.527 -0.000 0.000 0.333 179 F C -0.064 175.617 175.800 -0.198 0.000 1.138 179 F CA -0.923 56.988 58.000 -0.148 0.000 0.945 179 F CB 2.057 40.976 39.000 -0.135 0.000 1.181 179 F HN 0.166 nan 8.300 nan 0.000 0.435 180 V N 5.189 125.080 119.914 -0.038 0.000 2.334 180 V HA 0.365 4.485 4.120 -0.000 0.000 0.267 180 V C -0.235 175.666 176.094 -0.322 0.000 1.040 180 V CA -0.566 61.620 62.300 -0.189 0.000 0.866 180 V CB 0.982 32.758 31.823 -0.079 0.000 1.019 180 V HN 0.496 nan 8.190 nan 0.000 0.468 181 V N 4.389 124.068 119.914 -0.393 0.000 2.513 181 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 181 V C -0.840 174.976 176.094 -0.464 0.000 1.035 181 V CA -0.849 61.263 62.300 -0.313 0.000 0.889 181 V CB 1.974 33.735 31.823 -0.104 0.000 0.988 181 V HN 0.882 nan 8.190 nan 0.000 0.440 182 W N 3.146 124.425 121.300 -0.035 0.000 2.329 182 W HA 0.775 5.435 4.660 0.000 0.000 0.312 182 W C 0.090 176.643 176.519 0.057 0.000 1.054 182 W CA -0.236 57.103 57.345 -0.009 0.000 1.245 182 W CB 1.622 31.020 29.460 -0.103 0.000 1.255 182 W HN 0.707 nan 8.180 nan 0.000 0.436 183 A N 3.244 126.273 122.820 0.348 0.000 2.475 183 A HA 0.685 5.005 4.320 -0.000 0.000 0.301 183 A C -0.776 176.965 177.584 0.260 0.000 1.059 183 A CA -1.233 50.951 52.037 0.246 0.000 0.710 183 A CB 1.268 20.332 19.000 0.107 0.000 1.288 183 A HN 0.537 nan 8.150 nan 0.000 0.408 184 K N 0.828 121.317 120.400 0.149 0.000 2.322 184 K HA 0.435 4.755 4.320 -0.000 0.000 0.283 184 K C -1.044 175.630 176.600 0.123 0.000 1.042 184 K CA -0.245 56.112 56.287 0.116 0.000 0.958 184 K CB 0.934 33.477 32.500 0.071 0.000 0.984 184 K HN 0.446 nan 8.250 nan 0.000 0.473 185 L N 1.722 123.018 121.223 0.121 0.000 2.341 185 L HA 0.460 4.800 4.340 -0.000 0.000 0.267 185 L C -0.910 176.013 176.870 0.089 0.000 1.009 185 L CA -0.329 54.588 54.840 0.127 0.000 0.819 185 L CB 1.981 44.139 42.059 0.165 0.000 1.323 185 L HN 0.577 nan 8.230 nan 0.000 0.425 192 E N 1.488 121.706 120.200 0.029 0.000 2.195 192 E HA 0.491 4.841 4.350 -0.000 0.000 0.271 192 E C 0.216 176.839 176.600 0.038 0.000 0.923 192 E CA -1.071 55.340 56.400 0.020 0.000 0.790 192 E CB 2.205 31.907 29.700 0.002 0.000 1.155 192 E HN 0.312 nan 8.360 nan 0.000 0.402 193 I N 3.704 124.299 120.570 0.042 0.000 2.668 193 I HA -0.028 4.142 4.170 -0.000 0.000 0.285 193 I C 0.416 176.585 176.117 0.085 0.000 1.168 193 I CA 0.503 61.859 61.300 0.094 0.000 1.424 193 I CB -0.086 37.959 38.000 0.074 0.000 1.377 193 I HN 0.201 nan 8.210 nan 0.000 0.560 194 R N 4.693 125.236 120.500 0.073 0.000 2.854 194 R HA 0.600 4.940 4.340 -0.000 0.000 0.271 194 R C -0.204 175.863 176.300 -0.390 0.000 0.996 194 R CA -0.971 55.003 56.100 -0.209 0.000 0.961 194 R CB 1.632 31.600 30.300 -0.553 0.000 1.182 194 R HN 0.714 nan 8.270 nan 0.000 0.479 195 G N 1.081 109.436 108.800 -0.741 0.000 2.348 195 G HA2 0.613 4.573 3.960 -0.000 0.000 0.312 195 G HA3 0.613 4.573 3.960 -0.000 0.000 0.312 195 G C -1.101 173.076 174.900 -1.205 0.000 1.126 195 G CA -0.252 44.082 45.100 -1.277 0.000 0.865 195 G HN 0.258 nan 8.290 nan 0.000 0.474 196 F N 0.728 120.312 119.950 -0.611 0.000 2.540 196 F HA 0.468 4.995 4.527 -0.000 0.000 0.317 196 F C 0.217 175.781 175.800 -0.393 0.000 1.104 196 F CA -0.836 56.907 58.000 -0.428 0.000 0.913 196 F CB 2.335 41.118 39.000 -0.361 0.000 1.170 196 F HN 0.201 nan 8.300 nan 0.000 0.450 197 I N 4.726 125.194 120.570 -0.170 0.000 2.304 197 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 197 I C -0.903 175.116 176.117 -0.164 0.000 1.018 197 I CA -0.396 60.751 61.300 -0.256 0.000 1.260 197 I CB 0.690 38.420 38.000 -0.449 0.000 1.390 197 I HN 0.327 nan 8.210 nan 0.000 0.475 198 L N 6.582 127.736 121.223 -0.116 0.000 2.330 198 L HA 0.502 4.842 4.340 -0.000 0.000 0.271 198 L C -0.003 176.871 176.870 0.007 0.000 1.013 198 L CA -0.382 54.410 54.840 -0.080 0.000 0.816 198 L CB 1.422 43.390 42.059 -0.152 0.000 1.287 198 L HN 0.498 nan 8.230 nan 0.000 0.435 199 E N 0.568 120.759 120.200 -0.016 0.000 2.222 199 E HA 0.340 4.690 4.350 -0.000 0.000 0.267 199 E C -0.915 175.689 176.600 0.008 0.000 0.963 199 E CA -1.038 55.365 56.400 0.006 0.000 0.837 199 E CB 1.666 31.327 29.700 -0.064 0.000 1.183 199 E HN 0.302 nan 8.360 nan 0.000 0.403 200 K N 0.582 121.043 120.400 0.100 0.000 2.412 200 K HA 0.160 4.480 4.320 -0.000 0.000 0.281 200 K C 0.260 176.853 176.600 -0.012 0.000 1.027 200 K CA 0.892 57.231 56.287 0.087 0.000 0.989 200 K CB 0.206 32.795 32.500 0.148 0.000 0.935 200 K HN 0.745 nan 8.250 nan 0.000 0.475 201 G N 3.002 111.780 108.800 -0.037 0.000 2.171 201 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.238 201 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.238 201 G C -0.147 174.732 174.900 -0.035 0.000 1.039 201 G CA 0.008 45.091 45.100 -0.028 0.000 0.759 201 G HN 0.734 nan 8.290 nan 0.000 0.501 202 C N 1.112 120.369 119.300 -0.072 0.000 2.285 202 C HA 0.696 5.156 4.460 -0.000 0.000 0.335 202 C C 1.028 175.980 174.990 -0.064 0.000 1.267 202 C CA -1.349 57.633 59.018 -0.060 0.000 1.762 202 C CB -0.221 27.459 27.740 -0.100 0.000 2.365 202 C HN 0.455 nan 8.230 nan 0.000 0.527 203 K N 4.121 124.507 120.400 -0.022 0.000 2.472 203 K HA 0.390 4.710 4.320 -0.000 0.000 0.280 203 K C 1.289 177.867 176.600 -0.037 0.000 1.028 203 K CA 1.412 57.683 56.287 -0.026 0.000 1.045 203 K CB 0.332 32.827 32.500 -0.008 0.000 0.902 203 K HN 1.233 nan 8.250 nan 0.000 0.478 204 G N 1.993 110.758 108.800 -0.058 0.000 2.238 204 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 204 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 204 G C -0.575 174.257 174.900 -0.113 0.000 0.996 204 G CA -0.306 44.752 45.100 -0.071 0.000 0.632 204 G HN 0.463 nan 8.290 nan 0.000 0.503 205 L N 2.171 123.303 121.223 -0.153 0.000 2.282 205 L HA 0.870 5.210 4.340 -0.000 0.000 0.288 205 L C 0.035 176.786 176.870 -0.198 0.000 1.033 205 L CA -0.380 54.320 54.840 -0.233 0.000 0.807 205 L CB 1.767 43.599 42.059 -0.378 0.000 1.209 205 L HN 0.328 nan 8.230 nan 0.000 0.423 206 S N 3.851 119.448 115.700 -0.172 0.000 2.542 206 S HA 0.898 5.368 4.470 -0.000 0.000 0.293 206 S C -0.553 173.985 174.600 -0.104 0.000 1.089 206 S CA -0.054 58.077 58.200 -0.115 0.000 0.961 206 S CB 1.587 64.741 63.200 -0.076 0.000 1.062 206 S HN 1.022 nan 8.310 nan 0.000 0.483 207 A N 4.819 127.613 122.820 -0.044 0.000 3.317 207 A HA 0.527 4.847 4.320 -0.000 0.000 0.307 207 A C -2.822 174.771 177.584 0.015 0.000 1.003 207 A CA -1.182 50.868 52.037 0.022 0.000 0.882 207 A CB 0.230 19.323 19.000 0.156 0.000 1.136 207 A HN 0.621 nan 8.150 nan 0.000 0.488 208 P HA 0.363 nan 4.420 nan 0.000 0.271 208 P C 0.194 177.447 177.300 -0.077 0.000 1.218 208 P CA 0.237 63.316 63.100 -0.036 0.000 0.780 208 P CB 1.131 32.803 31.700 -0.046 0.000 0.901 209 A N 3.063 125.820 122.820 -0.104 0.000 2.286 209 A HA 0.563 4.883 4.320 -0.000 0.000 0.286 209 A C 0.107 177.464 177.584 -0.377 0.000 1.097 209 A CA -0.623 51.273 52.037 -0.236 0.000 0.821 209 A CB -0.057 18.779 19.000 -0.272 0.000 1.076 209 A HN 0.500 nan 8.150 nan 0.000 0.490 210 I N 1.758 122.048 120.570 -0.467 0.000 2.433 210 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 210 I C -0.291 175.527 176.117 -0.497 0.000 1.001 210 I CA -0.369 60.658 61.300 -0.456 0.000 1.119 210 I CB 1.508 39.193 38.000 -0.524 0.000 1.289 210 I HN 0.646 nan 8.210 nan 0.000 0.438 211 H N 3.367 122.401 119.070 -0.060 0.000 2.710 211 H HA 0.443 4.999 4.556 -0.000 0.000 0.361 211 H C 0.579 175.912 175.328 0.009 0.000 1.175 211 H CA -0.433 55.605 56.048 -0.016 0.000 1.206 211 H CB 2.063 31.818 29.762 -0.011 0.000 1.750 211 H HN 0.825 nan 8.280 nan 0.000 0.553 212 G N 1.750 110.641 108.800 0.152 0.000 2.212 212 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.255 212 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.255 212 G C 0.006 174.958 174.900 0.087 0.000 1.062 212 G CA -0.040 45.113 45.100 0.088 0.000 0.815 212 G HN 0.489 nan 8.290 nan 0.000 0.497 213 K N -0.756 119.700 120.400 0.093 0.000 2.276 213 K HA 0.397 4.717 4.320 -0.000 0.000 0.259 213 K C 1.535 178.149 176.600 0.023 0.000 1.001 213 K CA -0.096 56.263 56.287 0.119 0.000 0.927 213 K CB 1.279 33.867 32.500 0.146 0.000 0.969 213 K HN 0.023 nan 8.250 nan 0.000 0.490 214 V N 0.776 120.714 119.914 0.041 0.000 2.426 214 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 214 V C 1.080 177.196 176.094 0.037 0.000 1.036 214 V CA 1.550 63.864 62.300 0.023 0.000 1.044 214 V CB -0.040 31.809 31.823 0.043 0.000 0.688 214 V HN 0.932 nan 8.190 nan 0.000 0.462 215 G N -1.710 107.132 108.800 0.069 0.000 2.568 215 G HA2 0.546 4.506 3.960 -0.000 0.000 0.313 215 G HA3 0.546 4.506 3.960 -0.000 0.000 0.313 215 G C -0.254 174.710 174.900 0.108 0.000 1.227 215 G CA -0.797 44.388 45.100 0.142 0.000 0.979 215 G HN 0.255 nan 8.290 nan 0.000 0.486 216 L N -0.765 120.562 121.223 0.172 0.000 3.717 216 L HA -0.228 4.112 4.340 -0.000 0.000 0.414 216 L C 2.079 178.966 176.870 0.030 0.000 1.228 216 L CA 0.055 54.961 54.840 0.110 0.000 0.918 216 L CB -1.001 41.115 42.059 0.095 0.000 1.865 216 L HN 0.676 nan 8.230 nan 0.000 0.922 217 R N 0.315 120.750 120.500 -0.109 0.000 2.237 217 R HA -0.023 4.317 4.340 -0.000 0.000 0.219 217 R C 2.184 178.408 176.300 -0.127 0.000 1.080 217 R CA 1.155 57.090 56.100 -0.274 0.000 0.995 217 R CB -0.080 29.732 30.300 -0.813 0.000 0.875 217 R HN 0.604 nan 8.270 nan 0.000 0.462 218 A N 1.302 124.086 122.820 -0.060 0.000 2.119 218 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 218 A C 1.115 178.690 177.584 -0.014 0.000 1.153 218 A CA 0.694 52.674 52.037 -0.096 0.000 0.692 218 A CB -0.044 18.698 19.000 -0.431 0.000 0.799 218 A HN 0.334 nan 8.150 nan 0.000 0.458 219 S N -1.181 114.530 115.700 0.019 0.000 2.651 219 S HA 0.691 5.160 4.470 -0.000 0.000 0.291 219 S C -0.368 174.296 174.600 0.107 0.000 1.141 219 S CA -0.755 57.502 58.200 0.096 0.000 1.027 219 S CB 1.366 64.631 63.200 0.109 0.000 1.043 219 S HN 0.343 nan 8.310 nan 0.000 0.530 220 I N 1.629 122.280 120.570 0.136 0.000 2.392 220 I HA 0.508 4.678 4.170 -0.000 0.000 0.295 220 I C -0.821 175.353 176.117 0.097 0.000 0.985 220 I CA 0.017 61.377 61.300 0.101 0.000 1.221 220 I CB 1.555 39.617 38.000 0.102 0.000 1.366 220 I HN 0.811 nan 8.210 nan 0.000 0.467 221 T N 5.019 119.603 114.554 0.050 0.000 2.900 221 T HA 0.786 5.136 4.350 -0.000 0.000 0.295 221 T C -0.165 174.497 174.700 -0.062 0.000 1.044 221 T CA -0.583 61.553 62.100 0.060 0.000 0.995 221 T CB 1.845 70.811 68.868 0.164 0.000 1.072 221 T HN 0.864 nan 8.240 nan 0.000 0.473 222 G N 0.861 109.628 108.800 -0.055 0.000 2.772 222 G HA2 0.669 4.629 3.960 -0.000 0.000 0.284 222 G HA3 0.669 4.629 3.960 -0.000 0.000 0.284 222 G C -1.624 173.211 174.900 -0.108 0.000 1.217 222 G CA -0.755 44.266 45.100 -0.131 0.000 0.831 222 G HN 0.628 nan 8.290 nan 0.000 0.523 223 E N -1.030 119.120 120.200 -0.083 0.000 2.264 223 E HA 0.647 4.997 4.350 -0.000 0.000 0.260 223 E C -1.035 175.576 176.600 0.018 0.000 0.961 223 E CA -0.671 55.699 56.400 -0.050 0.000 0.834 223 E CB 2.705 32.356 29.700 -0.083 0.000 1.230 223 E HN 0.260 nan 8.360 nan 0.000 0.412 224 I N 1.582 122.164 120.570 0.020 0.000 2.439 224 I HA 0.238 4.408 4.170 -0.000 0.000 0.283 224 I C -1.050 175.041 176.117 -0.045 0.000 1.023 224 I CA -0.847 60.454 61.300 0.002 0.000 1.100 224 I CB 1.615 39.641 38.000 0.043 0.000 1.238 224 I HN 0.128 nan 8.210 nan 0.000 0.445 225 V N 7.347 127.217 119.914 -0.074 0.000 2.398 225 V HA 0.505 4.625 4.120 -0.000 0.000 0.286 225 V C -0.064 175.968 176.094 -0.102 0.000 1.026 225 V CA -0.509 61.746 62.300 -0.074 0.000 0.868 225 V CB 1.611 33.396 31.823 -0.062 0.000 0.982 225 V HN 0.476 nan 8.190 nan 0.000 0.443 226 L N 4.086 125.253 121.223 -0.094 0.000 2.362 226 L HA 0.751 5.091 4.340 -0.000 0.000 0.271 226 L C -0.752 176.068 176.870 -0.084 0.000 1.002 226 L CA -0.297 54.476 54.840 -0.111 0.000 0.818 226 L CB 2.122 44.104 42.059 -0.128 0.000 1.298 226 L HN 0.586 nan 8.230 nan 0.000 0.420 227 D N 3.036 123.387 120.400 -0.082 0.000 2.318 227 D HA 0.109 4.749 4.640 -0.000 0.000 0.233 227 D C -0.295 175.974 176.300 -0.052 0.000 1.348 227 D CA -0.278 53.686 54.000 -0.060 0.000 0.983 227 D CB 0.792 41.562 40.800 -0.051 0.000 1.416 227 D HN 0.660 nan 8.370 nan 0.000 0.558 228 E N 0.785 120.956 120.200 -0.048 0.000 2.440 228 E HA -0.220 4.130 4.350 -0.000 0.000 0.246 228 E C -0.379 176.212 176.600 -0.014 0.000 1.165 228 E CA 0.782 57.165 56.400 -0.027 0.000 0.726 228 E CB -0.929 28.761 29.700 -0.017 0.000 1.271 228 E HN 0.509 nan 8.360 nan 0.000 0.397 229 A N 1.095 123.884 122.820 -0.052 0.000 2.444 229 A HA 0.269 4.589 4.320 -0.000 0.000 0.273 229 A C -0.144 177.432 177.584 -0.013 0.000 1.136 229 A CA -0.087 51.918 52.037 -0.054 0.000 0.799 229 A CB -0.081 18.840 19.000 -0.132 0.000 1.081 229 A HN 0.315 nan 8.150 nan 0.000 0.509 230 F N 4.483 124.382 119.950 -0.085 0.000 2.472 230 F HA 0.444 4.971 4.527 -0.000 0.000 0.364 230 F C -0.238 175.537 175.800 -0.042 0.000 1.090 230 F CA -0.191 57.773 58.000 -0.059 0.000 1.188 230 F CB 0.758 39.731 39.000 -0.044 0.000 1.105 230 F HN 0.267 nan 8.300 nan 0.000 0.536 231 V N 9.058 128.528 119.914 -0.741 0.000 2.357 231 V HA 0.337 4.457 4.120 -0.000 0.000 0.284 231 V C -2.050 173.508 176.094 -0.893 0.000 1.018 231 V CA -1.954 59.977 62.300 -0.616 0.000 0.841 231 V CB 1.176 32.835 31.823 -0.273 0.000 0.991 231 V HN 0.661 nan 8.190 nan 0.000 0.437 232 P HA 0.118 nan 4.420 nan 0.000 0.271 232 P C 0.931 178.195 177.300 -0.060 0.000 1.244 232 P CA -0.175 62.674 63.100 -0.419 0.000 0.793 232 P CB 0.862 32.518 31.700 -0.075 0.000 0.984 233 E N 1.227 121.451 120.200 0.040 0.000 2.118 233 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 233 E C 1.433 178.106 176.600 0.121 0.000 0.992 233 E CA 1.262 57.741 56.400 0.132 0.000 0.804 233 E CB -0.200 29.545 29.700 0.076 0.000 0.741 233 E HN 0.576 nan 8.360 nan 0.000 0.458 234 E N -0.183 120.064 120.200 0.078 0.000 2.516 234 E HA -0.096 4.254 4.350 -0.000 0.000 0.199 234 E C 0.691 177.330 176.600 0.065 0.000 1.069 234 E CA 0.473 56.913 56.400 0.067 0.000 0.876 234 E CB -0.124 29.617 29.700 0.069 0.000 0.843 234 E HN 0.060 nan 8.360 nan 0.000 0.530 235 N N 0.516 119.249 118.700 0.055 0.000 2.197 235 N HA 0.213 4.953 4.740 -0.000 0.000 0.201 235 N C 0.099 175.591 175.510 -0.031 0.000 1.148 235 N CA -0.189 52.879 53.050 0.029 0.000 0.883 235 N CB 0.854 39.348 38.487 0.011 0.000 1.012 235 N HN 0.227 nan 8.380 nan 0.000 0.507 236 I N 1.218 121.760 120.570 -0.047 0.000 2.519 236 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 236 I C -0.530 175.410 176.117 -0.295 0.000 1.047 236 I CA -0.669 60.463 61.300 -0.280 0.000 1.381 236 I CB 0.669 38.421 38.000 -0.413 0.000 1.417 236 I HN -0.204 nan 8.210 nan 0.000 0.540 237 L N 10.793 131.767 121.223 -0.416 0.000 2.456 237 L HA 0.195 4.535 4.340 -0.000 0.000 0.277 237 L C -1.465 175.236 176.870 -0.280 0.000 1.124 237 L CA -1.374 53.297 54.840 -0.281 0.000 0.880 237 L CB 0.013 41.920 42.059 -0.253 0.000 1.192 237 L HN 0.480 nan 8.230 nan 0.000 0.463 238 P HA -0.078 nan 4.420 nan 0.000 0.227 238 P C 0.404 177.502 177.300 -0.337 0.000 1.161 238 P CA 1.146 64.007 63.100 -0.398 0.000 0.788 238 P CB 0.162 31.508 31.700 -0.590 0.000 0.822 239 H N -1.434 117.649 119.070 0.022 0.000 2.488 239 H HA 0.475 5.031 4.556 -0.000 0.000 0.294 239 H C -0.230 175.115 175.328 0.028 0.000 1.088 239 H CA -0.550 55.533 56.048 0.059 0.000 1.086 239 H CB 0.508 30.333 29.762 0.105 0.000 1.569 239 H HN -0.110 nan 8.280 nan 0.000 0.548 240 V N 1.010 120.897 119.914 -0.046 0.000 3.000 240 V HA 0.353 4.473 4.120 -0.000 0.000 0.300 240 V C -1.720 174.266 176.094 -0.180 0.000 1.251 240 V CA -0.770 61.383 62.300 -0.246 0.000 0.972 240 V CB 2.375 33.664 31.823 -0.888 0.000 1.065 240 V HN 0.262 nan 8.190 nan 0.000 0.431 241 K N 3.711 124.024 120.400 -0.144 0.000 2.508 241 K HA 0.858 5.178 4.320 -0.000 0.000 0.260 241 K C -0.044 176.501 176.600 -0.091 0.000 0.949 241 K CA -0.186 56.045 56.287 -0.093 0.000 0.834 241 K CB 2.127 34.592 32.500 -0.059 0.000 1.365 241 K HN 1.575 nan 8.250 nan 0.000 0.437 242 G N 0.465 109.227 108.800 -0.063 0.000 2.725 242 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 242 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 242 G C 0.161 174.997 174.900 -0.107 0.000 1.357 242 G CA -0.532 44.528 45.100 -0.067 0.000 0.866 242 G HN 0.392 nan 8.290 nan 0.000 0.548 243 L N 0.467 121.633 121.223 -0.095 0.000 2.349 243 L HA 0.017 4.357 4.340 -0.000 0.000 0.220 243 L C 2.956 179.778 176.870 -0.081 0.000 1.130 243 L CA 2.482 57.261 54.840 -0.101 0.000 0.791 243 L CB -0.627 41.380 42.059 -0.086 0.000 0.918 243 L HN 0.672 nan 8.230 nan 0.000 0.444 244 R N -0.373 120.076 120.500 -0.085 0.000 2.096 244 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 244 R C 2.244 178.506 176.300 -0.063 0.000 1.127 244 R CA 1.337 57.427 56.100 -0.017 0.000 0.968 244 R CB -0.531 29.746 30.300 -0.038 0.000 0.861 244 R HN 0.402 nan 8.270 nan 0.000 0.440 245 G N 1.123 109.726 108.800 -0.328 0.000 2.604 245 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 245 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 245 G C -1.007 173.609 174.900 -0.473 0.000 1.265 245 G CA 0.776 45.558 45.100 -0.530 0.000 0.804 245 G HN 0.344 nan 8.290 nan 0.000 0.579 246 P HA -0.097 nan 4.420 nan 0.000 0.215 246 P C 1.693 178.961 177.300 -0.052 0.000 1.157 246 P CA 0.779 63.507 63.100 -0.620 0.000 0.868 246 P CB -0.172 31.124 31.700 -0.674 0.000 0.788 247 F N 0.392 120.272 119.950 -0.117 0.000 2.161 247 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 247 F C 1.933 177.768 175.800 0.059 0.000 1.089 247 F CA 1.813 59.808 58.000 -0.009 0.000 1.282 247 F CB -1.111 37.879 39.000 -0.016 0.000 1.010 247 F HN -0.131 nan 8.300 nan 0.000 0.485 248 T N -0.086 114.550 114.554 0.137 0.000 2.720 248 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 248 T C 2.110 176.823 174.700 0.022 0.000 1.037 248 T CA 1.667 63.841 62.100 0.124 0.000 1.144 248 T CB -0.992 68.132 68.868 0.426 0.000 0.864 248 T HN 0.444 nan 8.240 nan 0.000 0.444 249 C N 1.080 120.431 119.300 0.084 0.000 2.453 249 C HA 0.092 4.552 4.460 -0.000 0.000 0.277 249 C C 2.695 177.597 174.990 -0.146 0.000 1.262 249 C CA 0.196 59.219 59.018 0.008 0.000 1.718 249 C CB -1.473 26.312 27.740 0.075 0.000 2.031 249 C HN 0.500 nan 8.230 nan 0.000 0.480 250 L N 1.342 122.452 121.223 -0.189 0.000 2.083 250 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 250 L C 2.471 179.207 176.870 -0.223 0.000 1.083 250 L CA 1.711 56.435 54.840 -0.194 0.000 0.752 250 L CB -0.842 41.150 42.059 -0.111 0.000 0.899 250 L HN 0.404 nan 8.230 nan 0.000 0.433 251 N N -0.396 118.051 118.700 -0.422 0.000 2.104 251 N HA -0.217 4.522 4.740 -0.000 0.000 0.190 251 N C 2.049 177.507 175.510 -0.087 0.000 1.024 251 N CA 1.611 54.443 53.050 -0.364 0.000 0.853 251 N CB -0.045 38.107 38.487 -0.559 0.000 1.008 251 N HN 0.140 nan 8.380 nan 0.000 0.424 252 S N -0.877 114.809 115.700 -0.024 0.000 2.355 252 S HA 0.003 4.473 4.470 -0.000 0.000 0.222 252 S C 1.950 176.696 174.600 0.244 0.000 1.031 252 S CA 1.247 59.538 58.200 0.150 0.000 0.993 252 S CB -0.628 62.654 63.200 0.138 0.000 0.859 252 S HN 0.491 nan 8.310 nan 0.000 0.453 253 A N 1.667 124.547 122.820 0.099 0.000 1.877 253 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 253 A C 2.212 179.825 177.584 0.048 0.000 1.186 253 A CA 1.485 53.569 52.037 0.078 0.000 0.620 253 A CB -0.660 18.311 19.000 -0.048 0.000 0.822 253 A HN 0.613 nan 8.150 nan 0.000 0.443 254 R N -2.131 118.383 120.500 0.024 0.000 2.105 254 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 254 R C 2.125 178.437 176.300 0.020 0.000 1.135 254 R CA 1.722 57.824 56.100 0.003 0.000 0.967 254 R CB -0.537 29.765 30.300 0.004 0.000 0.861 254 R HN 0.760 nan 8.270 nan 0.000 0.442 255 Y N 0.561 120.849 120.300 -0.019 0.000 2.145 255 Y HA -0.137 4.413 4.550 -0.000 0.000 0.286 255 Y C 2.305 178.210 175.900 0.008 0.000 1.145 255 Y CA 1.717 59.826 58.100 0.015 0.000 1.148 255 Y CB -0.556 37.934 38.460 0.050 0.000 0.981 255 Y HN 0.034 nan 8.280 nan 0.000 0.507 256 G N 0.416 109.092 108.800 -0.207 0.000 2.422 256 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 256 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 256 G C 1.625 176.377 174.900 -0.246 0.000 1.146 256 G CA 1.243 46.034 45.100 -0.514 0.000 0.769 256 G HN 0.521 nan 8.290 nan 0.000 0.547 257 I N 1.255 121.742 120.570 -0.138 0.000 2.315 257 I HA -0.094 4.075 4.170 -0.000 0.000 0.248 257 I C 3.235 179.283 176.117 -0.115 0.000 1.117 257 I CA 0.722 61.962 61.300 -0.100 0.000 1.404 257 I CB -0.131 37.820 38.000 -0.082 0.000 1.071 257 I HN 0.225 nan 8.210 nan 0.000 0.419 258 A N 0.486 123.212 122.820 -0.157 0.000 1.883 258 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 258 A C 1.996 179.432 177.584 -0.246 0.000 1.186 258 A CA 1.623 53.532 52.037 -0.213 0.000 0.624 258 A CB -1.107 17.741 19.000 -0.254 0.000 0.822 258 A HN 0.522 nan 8.150 nan 0.000 0.444 259 W N -0.350 120.733 121.300 -0.362 0.000 2.379 259 W HA 0.044 4.703 4.660 -0.000 0.000 0.307 259 W C 2.607 179.004 176.519 -0.203 0.000 1.200 259 W CA 1.337 58.503 57.345 -0.298 0.000 1.297 259 W CB -0.751 28.476 29.460 -0.389 0.000 1.140 259 W HN 0.370 nan 8.180 nan 0.000 0.507 260 G N 0.080 108.908 108.800 0.047 0.000 2.446 260 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 260 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 260 G C 1.648 176.542 174.900 -0.009 0.000 1.168 260 G CA 1.546 46.654 45.100 0.013 0.000 0.771 260 G HN 0.313 nan 8.290 nan 0.000 0.551 261 A N 0.334 123.128 122.820 -0.043 0.000 2.019 261 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 261 A C 2.404 179.946 177.584 -0.070 0.000 1.164 261 A CA 1.176 53.181 52.037 -0.054 0.000 0.644 261 A CB -0.304 18.654 19.000 -0.071 0.000 0.805 261 A HN 0.385 nan 8.150 nan 0.000 0.449 262 L N -1.066 120.109 121.223 -0.080 0.000 2.109 262 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 262 L C 2.803 179.644 176.870 -0.048 0.000 1.086 262 L CA 0.912 55.701 54.840 -0.085 0.000 0.760 262 L CB -0.766 41.214 42.059 -0.132 0.000 0.910 262 L HN 0.483 nan 8.230 nan 0.000 0.437 263 G N -0.173 108.618 108.800 -0.014 0.000 2.421 263 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 263 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 263 G C 1.794 176.643 174.900 -0.085 0.000 1.171 263 G CA 0.787 45.880 45.100 -0.012 0.000 0.775 263 G HN 0.441 nan 8.290 nan 0.000 0.543 264 A N 1.179 123.940 122.820 -0.098 0.000 1.908 264 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 264 A C 2.807 180.204 177.584 -0.313 0.000 1.181 264 A CA 2.351 54.237 52.037 -0.252 0.000 0.627 264 A CB -0.776 18.180 19.000 -0.074 0.000 0.818 264 A HN 0.806 nan 8.150 nan 0.000 0.445 265 A N -0.267 122.458 122.820 -0.158 0.000 1.902 265 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 265 A C 1.920 179.471 177.584 -0.054 0.000 1.181 265 A CA 1.621 53.595 52.037 -0.105 0.000 0.623 265 A CB -0.522 18.429 19.000 -0.082 0.000 0.818 265 A HN 0.642 nan 8.150 nan 0.000 0.443 266 E N -0.066 120.091 120.200 -0.071 0.000 2.051 266 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 266 E C 2.345 178.749 176.600 -0.327 0.000 0.991 266 E CA 1.350 57.676 56.400 -0.122 0.000 0.799 266 E CB -0.193 29.401 29.700 -0.177 0.000 0.748 266 E HN 0.583 nan 8.360 nan 0.000 0.449 267 S N 0.544 116.080 115.700 -0.274 0.000 2.365 267 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 267 S C 2.222 176.755 174.600 -0.111 0.000 1.039 267 S CA 1.203 59.279 58.200 -0.206 0.000 1.033 267 S CB -0.418 62.607 63.200 -0.293 0.000 0.887 267 S HN 0.402 nan 8.310 nan 0.000 0.447 268 C N 0.134 119.342 119.300 -0.153 0.000 2.429 268 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 268 C C 2.269 177.338 174.990 0.132 0.000 1.262 268 C CA 0.197 59.204 59.018 -0.018 0.000 1.733 268 C CB -1.478 26.237 27.740 -0.042 0.000 2.010 268 C HN 0.856 nan 8.230 nan 0.000 0.483 269 W N 1.393 122.668 121.300 -0.042 0.000 2.355 269 W HA -0.107 4.553 4.660 0.000 0.000 0.309 269 W C 2.455 179.099 176.519 0.208 0.000 1.206 269 W CA 1.721 59.103 57.345 0.063 0.000 1.284 269 W CB -1.214 28.284 29.460 0.063 0.000 1.145 269 W HN 0.520 nan 8.180 nan 0.000 0.502 270 H N -0.659 118.387 119.070 -0.040 0.000 2.353 270 H HA -0.163 4.393 4.556 -0.000 0.000 0.300 270 H C 2.329 177.630 175.328 -0.045 0.000 1.090 270 H CA 1.746 57.702 56.048 -0.154 0.000 1.327 270 H CB -0.230 29.474 29.762 -0.097 0.000 1.383 270 H HN 0.128 nan 8.280 nan 0.000 0.508 271 I N 0.798 121.453 120.570 0.143 0.000 2.179 271 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 271 I C 2.853 179.039 176.117 0.115 0.000 1.088 271 I CA 0.933 62.296 61.300 0.105 0.000 1.357 271 I CB -0.284 37.763 38.000 0.077 0.000 1.051 271 I HN 0.279 nan 8.210 nan 0.000 0.409 272 A N 0.586 123.479 122.820 0.122 0.000 1.902 272 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 272 A C 2.452 180.136 177.584 0.165 0.000 1.181 272 A CA 1.713 53.838 52.037 0.147 0.000 0.623 272 A CB -0.664 18.427 19.000 0.151 0.000 0.818 272 A HN 0.342 nan 8.150 nan 0.000 0.443 273 R N -1.015 119.546 120.500 0.101 0.000 2.083 273 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 273 R C 2.393 178.668 176.300 -0.042 0.000 1.137 273 R CA 2.044 58.133 56.100 -0.018 0.000 0.951 273 R CB -0.269 29.897 30.300 -0.223 0.000 0.851 273 R HN 0.510 nan 8.270 nan 0.000 0.434 274 Q N -0.401 119.389 119.800 -0.016 0.000 2.079 274 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 274 Q C 1.711 177.730 176.000 0.032 0.000 0.974 274 Q CA 1.758 57.553 55.803 -0.013 0.000 0.840 274 Q CB -0.570 28.173 28.738 0.007 0.000 0.898 274 Q HN 0.484 nan 8.270 nan 0.000 0.430 275 Y N 0.132 120.416 120.300 -0.026 0.000 2.114 275 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 275 Y C 1.959 177.843 175.900 -0.027 0.000 1.165 275 Y CA 2.205 60.294 58.100 -0.019 0.000 1.148 275 Y CB -0.381 38.077 38.460 -0.003 0.000 0.972 275 Y HN 0.100 nan 8.280 nan 0.000 0.504 276 V N -2.513 117.408 119.914 0.011 0.000 2.809 276 V HA -0.143 3.977 4.120 -0.000 0.000 0.256 276 V C 2.020 178.039 176.094 -0.124 0.000 1.080 276 V CA 1.261 63.511 62.300 -0.083 0.000 1.102 276 V CB -0.878 30.962 31.823 0.029 0.000 0.705 276 V HN 0.328 nan 8.190 nan 0.000 0.475 277 L N 1.002 122.160 121.223 -0.110 0.000 2.156 277 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 277 L C 2.104 178.898 176.870 -0.127 0.000 1.095 277 L CA 1.746 56.519 54.840 -0.112 0.000 0.770 277 L CB -0.991 41.003 42.059 -0.109 0.000 0.914 277 L HN 0.360 nan 8.230 nan 0.000 0.439 278 D N -1.462 118.841 120.400 -0.163 0.000 2.197 278 D HA 0.025 4.665 4.640 -0.000 0.000 0.212 278 D C 1.002 177.170 176.300 -0.221 0.000 0.963 278 D CA 0.462 54.363 54.000 -0.166 0.000 0.864 278 D CB 0.182 40.897 40.800 -0.141 0.000 1.009 278 D HN 0.044 nan 8.370 nan 0.000 0.479 279 R N 1.434 121.714 120.500 -0.366 0.000 2.539 279 R HA 0.373 4.713 4.340 -0.000 0.000 0.275 279 R C 0.215 176.370 176.300 -0.241 0.000 1.077 279 R CA 0.080 55.962 56.100 -0.363 0.000 1.097 279 R CB 0.945 30.875 30.300 -0.616 0.000 1.018 279 R HN 0.061 nan 8.270 nan 0.000 0.483 280 K N 1.455 121.741 120.400 -0.189 0.000 2.267 280 K HA 0.335 4.655 4.320 -0.000 0.000 0.246 280 K C -0.544 175.949 176.600 -0.180 0.000 0.954 280 K CA -0.681 55.518 56.287 -0.147 0.000 0.824 280 K CB 2.230 34.666 32.500 -0.108 0.000 1.167 280 K HN 0.374 nan 8.250 nan 0.000 0.431 281 Q N 2.187 121.883 119.800 -0.174 0.000 2.263 281 Q HA 0.237 4.577 4.340 -0.000 0.000 0.266 281 Q C -1.238 174.646 176.000 -0.193 0.000 1.002 281 Q CA -0.552 55.055 55.803 -0.327 0.000 0.790 281 Q CB 0.732 29.298 28.738 -0.288 0.000 1.272 281 Q HN 0.598 nan 8.270 nan 0.000 0.435 282 F N 2.768 122.709 119.950 -0.015 0.000 2.970 282 F HA -0.302 4.225 4.527 -0.000 0.000 0.251 282 F C 1.165 176.956 175.800 -0.015 0.000 0.993 282 F CA 1.499 59.492 58.000 -0.012 0.000 0.869 282 F CB -1.902 37.093 39.000 -0.009 0.000 0.762 282 F HN 0.962 nan 8.300 nan 0.000 0.817 283 G N -1.187 107.661 108.800 0.081 0.000 2.317 283 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.227 283 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.227 283 G C 0.569 175.481 174.900 0.019 0.000 1.042 283 G CA -0.005 45.123 45.100 0.047 0.000 0.623 283 G HN 0.601 nan 8.290 nan 0.000 0.509 284 R N 1.324 121.840 120.500 0.027 0.000 2.573 284 R HA 0.546 4.886 4.340 -0.000 0.000 0.272 284 R C -2.644 173.639 176.300 -0.028 0.000 1.009 284 R CA -1.894 54.209 56.100 0.005 0.000 1.059 284 R CB 0.849 31.163 30.300 0.025 0.000 1.112 284 R HN 0.124 nan 8.270 nan 0.000 0.517 285 P HA -0.013 nan 4.420 nan 0.000 0.269 285 P C 0.382 177.645 177.300 -0.061 0.000 1.209 285 P CA -0.179 62.880 63.100 -0.069 0.000 0.776 285 P CB 0.506 32.165 31.700 -0.068 0.000 0.876 286 L N 2.684 123.853 121.223 -0.090 0.000 2.081 286 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 286 L C 2.364 179.218 176.870 -0.028 0.000 1.080 286 L CA 2.283 57.086 54.840 -0.061 0.000 0.754 286 L CB -1.481 40.526 42.059 -0.088 0.000 0.893 286 L HN 0.444 nan 8.230 nan 0.000 0.433 287 A N -0.919 121.875 122.820 -0.043 0.000 2.131 287 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 287 A C 2.382 179.955 177.584 -0.020 0.000 1.158 287 A CA 1.527 53.545 52.037 -0.032 0.000 0.665 287 A CB -0.737 18.227 19.000 -0.059 0.000 0.795 287 A HN 0.410 nan 8.150 nan 0.000 0.460 288 A N -0.337 122.474 122.820 -0.015 0.000 2.119 288 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 288 A C 1.190 178.780 177.584 0.011 0.000 1.152 288 A CA 0.221 52.256 52.037 -0.003 0.000 0.708 288 A CB -0.417 18.583 19.000 -0.001 0.000 0.805 288 A HN 0.602 nan 8.150 nan 0.000 0.460 289 N N 0.382 119.093 118.700 0.019 0.000 2.492 289 N HA -0.036 4.704 4.740 -0.000 0.000 0.262 289 N C 0.751 176.276 175.510 0.026 0.000 1.202 289 N CA 0.039 53.108 53.050 0.032 0.000 0.926 289 N CB 0.610 39.123 38.487 0.043 0.000 1.078 289 N HN 0.496 nan 8.380 nan 0.000 0.454 290 Q N 2.924 122.739 119.800 0.025 0.000 2.124 290 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 290 Q C 1.733 177.746 176.000 0.021 0.000 0.977 290 Q CA 1.162 56.976 55.803 0.019 0.000 0.850 290 Q CB 0.199 28.946 28.738 0.015 0.000 0.901 290 Q HN 0.730 nan 8.270 nan 0.000 0.429 291 L N 0.309 121.548 121.223 0.027 0.000 2.072 291 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 291 L C 2.159 179.048 176.870 0.031 0.000 1.079 291 L CA 0.710 55.566 54.840 0.027 0.000 0.752 291 L CB -0.207 41.872 42.059 0.032 0.000 0.906 291 L HN 0.264 nan 8.230 nan 0.000 0.436 292 I N -0.529 120.063 120.570 0.037 0.000 2.208 292 I HA -0.306 3.863 4.170 -0.000 0.000 0.245 292 I C 2.436 178.580 176.117 0.044 0.000 1.097 292 I CA 1.488 62.815 61.300 0.046 0.000 1.363 292 I CB -1.168 36.860 38.000 0.046 0.000 1.051 292 I HN 0.466 nan 8.210 nan 0.000 0.413 293 Q N 0.276 120.096 119.800 0.033 0.000 2.123 293 Q HA -0.171 4.169 4.340 -0.000 0.000 0.199 293 Q C 2.224 178.242 176.000 0.030 0.000 0.966 293 Q CA 0.980 56.803 55.803 0.033 0.000 0.845 293 Q CB -0.081 28.669 28.738 0.021 0.000 0.907 293 Q HN 0.471 nan 8.270 nan 0.000 0.439 294 K N 1.087 121.499 120.400 0.020 0.000 2.074 294 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 294 K C 2.019 178.622 176.600 0.005 0.000 1.048 294 K CA 1.379 57.672 56.287 0.010 0.000 0.926 294 K CB 0.011 32.515 32.500 0.007 0.000 0.713 294 K HN 0.099 nan 8.250 nan 0.000 0.444 295 K N 0.621 121.031 120.400 0.017 0.000 2.025 295 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 295 K C 2.167 178.773 176.600 0.011 0.000 1.049 295 K CA 0.972 57.267 56.287 0.012 0.000 0.933 295 K CB -0.114 32.405 32.500 0.031 0.000 0.714 295 K HN 0.055 nan 8.250 nan 0.000 0.438 296 L N 0.688 121.948 121.223 0.062 0.000 2.042 296 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 296 L C 2.597 179.487 176.870 0.034 0.000 1.076 296 L CA 1.273 56.187 54.840 0.125 0.000 0.749 296 L CB -0.663 41.514 42.059 0.195 0.000 0.893 296 L HN 0.240 nan 8.230 nan 0.000 0.432 297 A N -0.278 122.555 122.820 0.022 0.000 1.902 297 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 297 A C 1.935 179.470 177.584 -0.082 0.000 1.181 297 A CA 1.915 53.949 52.037 -0.004 0.000 0.623 297 A CB -0.451 18.555 19.000 0.011 0.000 0.818 297 A HN 0.346 nan 8.150 nan 0.000 0.443 298 D N -0.324 120.022 120.400 -0.090 0.000 2.097 298 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 298 D C 2.094 178.268 176.300 -0.211 0.000 0.984 298 D CA 1.435 55.364 54.000 -0.118 0.000 0.826 298 D CB -0.364 40.388 40.800 -0.080 0.000 0.973 298 D HN 0.490 nan 8.370 nan 0.000 0.460 299 M N 0.275 119.703 119.600 -0.287 0.000 2.067 299 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 299 M C 2.380 178.186 176.300 -0.824 0.000 1.069 299 M CA 1.383 56.392 55.300 -0.485 0.000 1.117 299 M CB -0.378 31.906 32.600 -0.527 0.000 1.334 299 M HN -0.016 nan 8.290 nan 0.000 0.407 300 Q N -0.026 119.174 119.800 -1.000 0.000 2.061 300 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 300 Q C 1.778 177.520 176.000 -0.430 0.000 0.984 300 Q CA 2.381 57.602 55.803 -0.970 0.000 0.846 300 Q CB -0.049 28.498 28.738 -0.318 0.000 0.902 300 Q HN 0.483 nan 8.270 nan 0.000 0.421 301 T N 1.208 115.609 114.554 -0.254 0.000 2.674 301 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 301 T C 1.548 176.152 174.700 -0.160 0.000 1.039 301 T CA 1.414 63.430 62.100 -0.141 0.000 1.150 301 T CB -0.217 68.594 68.868 -0.095 0.000 0.864 301 T HN 0.340 nan 8.240 nan 0.000 0.427 302 E N 0.812 120.897 120.200 -0.191 0.000 2.110 302 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 302 E C 2.276 178.771 176.600 -0.176 0.000 0.988 302 E CA 0.736 57.036 56.400 -0.165 0.000 0.804 302 E CB -0.405 29.203 29.700 -0.154 0.000 0.745 302 E HN 0.520 nan 8.360 nan 0.000 0.458 303 I N 0.949 121.382 120.570 -0.228 0.000 2.202 303 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 303 I C 2.348 178.382 176.117 -0.137 0.000 1.091 303 I CA 1.283 62.472 61.300 -0.185 0.000 1.368 303 I CB -0.390 37.489 38.000 -0.202 0.000 1.058 303 I HN 0.050 nan 8.210 nan 0.000 0.410 304 T N 1.337 115.814 114.554 -0.127 0.000 2.746 304 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 304 T C 1.912 176.563 174.700 -0.082 0.000 1.039 304 T CA 1.340 63.400 62.100 -0.068 0.000 1.142 304 T CB -0.284 68.568 68.868 -0.027 0.000 0.866 304 T HN 0.230 nan 8.240 nan 0.000 0.444 305 L N 0.460 121.626 121.223 -0.095 0.000 2.109 305 L HA 0.095 4.435 4.340 -0.000 0.000 0.207 305 L C 3.052 179.844 176.870 -0.130 0.000 1.086 305 L CA 1.126 55.910 54.840 -0.095 0.000 0.760 305 L CB -0.977 41.032 42.059 -0.082 0.000 0.910 305 L HN 0.331 nan 8.230 nan 0.000 0.437 306 G N 0.391 109.098 108.800 -0.155 0.000 2.440 306 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 306 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 306 G C 1.645 176.373 174.900 -0.287 0.000 1.154 306 G CA 0.602 45.580 45.100 -0.204 0.000 0.767 306 G HN 0.204 nan 8.290 nan 0.000 0.552 307 L N -0.186 120.875 121.223 -0.269 0.000 2.046 307 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 307 L C 3.199 179.886 176.870 -0.305 0.000 1.077 307 L CA 0.978 55.608 54.840 -0.349 0.000 0.747 307 L CB -0.347 41.592 42.059 -0.200 0.000 0.896 307 L HN 0.160 nan 8.230 nan 0.000 0.432 308 Q N -0.157 119.537 119.800 -0.177 0.000 2.124 308 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 308 Q C 2.238 178.162 176.000 -0.128 0.000 0.977 308 Q CA 1.659 57.394 55.803 -0.115 0.000 0.850 308 Q CB -0.629 28.067 28.738 -0.070 0.000 0.901 308 Q HN 0.579 nan 8.270 nan 0.000 0.429 309 G N 0.609 109.308 108.800 -0.168 0.000 2.414 309 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 309 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 309 G C 1.559 176.351 174.900 -0.181 0.000 1.188 309 G CA 1.508 46.517 45.100 -0.151 0.000 0.783 309 G HN 0.376 nan 8.290 nan 0.000 0.537 310 V N -0.673 119.016 119.914 -0.374 0.000 2.626 310 V HA 0.006 4.126 4.120 -0.000 0.000 0.252 310 V C 2.586 178.580 176.094 -0.168 0.000 1.067 310 V CA 1.550 63.556 62.300 -0.490 0.000 1.081 310 V CB -0.592 30.454 31.823 -1.295 0.000 0.686 310 V HN 0.215 nan 8.190 nan 0.000 0.468 311 L N 0.921 122.035 121.223 -0.181 0.000 2.027 311 L HA -0.006 4.334 4.340 -0.000 0.000 0.206 311 L C 2.667 179.644 176.870 0.178 0.000 1.074 311 L CA 2.404 57.363 54.840 0.198 0.000 0.745 311 L CB -0.817 41.315 42.059 0.123 0.000 0.898 311 L HN 0.375 nan 8.230 nan 0.000 0.433 312 R N -0.349 120.193 120.500 0.069 0.000 2.081 312 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 312 R C 2.144 178.495 176.300 0.085 0.000 1.131 312 R CA 2.027 58.165 56.100 0.063 0.000 0.960 312 R CB -1.102 29.209 30.300 0.018 0.000 0.856 312 R HN 0.459 nan 8.270 nan 0.000 0.436 313 L N 0.189 121.471 121.223 0.098 0.000 2.012 313 L HA 0.053 4.393 4.340 -0.000 0.000 0.210 313 L C 2.067 179.031 176.870 0.158 0.000 1.073 313 L CA 2.479 57.391 54.840 0.120 0.000 0.748 313 L CB -1.316 40.834 42.059 0.153 0.000 0.891 313 L HN 0.299 nan 8.230 nan 0.000 0.431 314 G N -0.550 108.470 108.800 0.368 0.000 2.459 314 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 314 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 314 G C 1.654 176.662 174.900 0.180 0.000 1.183 314 G CA 0.707 46.021 45.100 0.357 0.000 0.776 314 G HN 0.326 nan 8.290 nan 0.000 0.552 315 R N -0.121 120.484 120.500 0.175 0.000 2.103 315 R HA -0.018 4.322 4.340 -0.000 0.000 0.242 315 R C 2.684 179.025 176.300 0.069 0.000 1.142 315 R CA 1.335 57.504 56.100 0.114 0.000 0.960 315 R CB -0.722 29.637 30.300 0.097 0.000 0.858 315 R HN 0.437 nan 8.270 nan 0.000 0.439 316 M N 0.355 119.982 119.600 0.044 0.000 2.132 316 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 316 M C 2.139 178.423 176.300 -0.027 0.000 1.065 316 M CA 1.657 56.963 55.300 0.010 0.000 1.122 316 M CB -0.204 32.397 32.600 0.002 0.000 1.365 316 M HN 0.030 nan 8.290 nan 0.000 0.411 317 K N 0.277 120.615 120.400 -0.102 0.000 2.026 317 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 317 K C 1.555 178.148 176.600 -0.011 0.000 1.048 317 K CA 1.385 57.531 56.287 -0.235 0.000 0.929 317 K CB -0.258 31.794 32.500 -0.746 0.000 0.713 317 K HN 0.273 nan 8.250 nan 0.000 0.439 318 D N 1.042 121.517 120.400 0.126 0.000 2.149 318 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 318 D C 1.618 177.977 176.300 0.097 0.000 0.990 318 D CA 1.365 55.472 54.000 0.178 0.000 0.839 318 D CB -0.047 40.844 40.800 0.151 0.000 0.948 318 D HN 0.544 nan 8.370 nan 0.000 0.460 319 E N -0.345 119.892 120.200 0.062 0.000 2.479 319 E HA 0.191 4.541 4.350 -0.000 0.000 0.193 319 E C 1.186 177.808 176.600 0.036 0.000 1.049 319 E CA 0.578 57.005 56.400 0.045 0.000 0.870 319 E CB 0.062 29.784 29.700 0.036 0.000 0.944 319 E HN 0.103 nan 8.360 nan 0.000 0.492 320 G N 1.682 110.501 108.800 0.031 0.000 2.160 320 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.251 320 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.251 320 G C 0.849 175.756 174.900 0.011 0.000 1.008 320 G CA 0.824 45.938 45.100 0.022 0.000 0.724 320 G HN 0.490 nan 8.290 nan 0.000 0.514 321 T N -3.079 111.477 114.554 0.004 0.000 3.069 321 T HA 0.665 5.015 4.350 -0.000 0.000 0.252 321 T C 0.964 175.663 174.700 -0.002 0.000 1.053 321 T CA 1.093 63.197 62.100 0.005 0.000 0.964 321 T CB 0.917 69.791 68.868 0.010 0.000 1.005 321 T HN 1.579 nan 8.240 nan 0.000 0.532 322 A N 1.351 124.160 122.820 -0.019 0.000 2.260 322 A HA 0.841 5.161 4.320 -0.000 0.000 0.308 322 A C 0.598 178.176 177.584 -0.010 0.000 1.254 322 A CA -0.698 51.324 52.037 -0.025 0.000 0.874 322 A CB 0.183 19.143 19.000 -0.066 0.000 1.153 322 A HN 0.662 nan 8.150 nan 0.000 0.527 323 A N 2.145 124.971 122.820 0.009 0.000 2.332 323 A HA 0.471 4.791 4.320 -0.000 0.000 0.258 323 A C 1.230 178.842 177.584 0.048 0.000 1.087 323 A CA -0.195 51.860 52.037 0.030 0.000 0.802 323 A CB 0.255 19.273 19.000 0.030 0.000 1.042 323 A HN 1.133 nan 8.150 nan 0.000 0.489 324 V N 0.835 120.805 119.914 0.092 0.000 2.626 324 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 324 V C 2.255 178.446 176.094 0.162 0.000 1.067 324 V CA 2.457 64.855 62.300 0.163 0.000 1.081 324 V CB -1.011 30.998 31.823 0.309 0.000 0.686 324 V HN 0.985 nan 8.190 nan 0.000 0.468 325 E N 0.160 120.430 120.200 0.117 0.000 2.153 325 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 325 E C 1.949 178.594 176.600 0.075 0.000 0.988 325 E CA 1.184 57.644 56.400 0.101 0.000 0.811 325 E CB -0.306 29.432 29.700 0.064 0.000 0.746 325 E HN 0.607 nan 8.360 nan 0.000 0.466 326 I N 0.485 121.086 120.570 0.052 0.000 2.286 326 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 326 I C 2.001 178.135 176.117 0.027 0.000 1.115 326 I CA 1.209 62.526 61.300 0.029 0.000 1.392 326 I CB -0.562 37.449 38.000 0.018 0.000 1.065 326 I HN 0.088 nan 8.210 nan 0.000 0.418 327 T N 0.114 114.696 114.554 0.047 0.000 2.759 327 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 327 T C 2.157 176.847 174.700 -0.017 0.000 1.042 327 T CA 1.808 63.932 62.100 0.040 0.000 1.140 327 T CB -0.166 68.735 68.868 0.056 0.000 0.864 327 T HN 0.303 nan 8.240 nan 0.000 0.455 328 S N 0.814 116.538 115.700 0.040 0.000 2.368 328 S HA 0.026 4.496 4.470 -0.000 0.000 0.224 328 S C 2.012 176.565 174.600 -0.078 0.000 1.029 328 S CA 0.763 58.978 58.200 0.025 0.000 0.988 328 S CB -0.352 63.006 63.200 0.263 0.000 0.838 328 S HN 0.445 nan 8.310 nan 0.000 0.462 329 I N 1.257 121.811 120.570 -0.027 0.000 2.142 329 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 329 I C 2.338 178.399 176.117 -0.094 0.000 1.078 329 I CA 1.054 62.328 61.300 -0.045 0.000 1.343 329 I CB -0.341 37.643 38.000 -0.027 0.000 1.046 329 I HN 0.287 nan 8.210 nan 0.000 0.405 330 M N 0.196 119.735 119.600 -0.101 0.000 2.175 330 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 330 M C 2.220 178.412 176.300 -0.180 0.000 1.063 330 M CA 1.531 56.748 55.300 -0.137 0.000 1.119 330 M CB -1.195 31.333 32.600 -0.119 0.000 1.377 330 M HN 0.156 nan 8.290 nan 0.000 0.415 331 K N 0.541 120.811 120.400 -0.216 0.000 2.025 331 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 331 K C 2.186 178.634 176.600 -0.254 0.000 1.049 331 K CA 1.151 57.283 56.287 -0.259 0.000 0.933 331 K CB -0.193 32.097 32.500 -0.351 0.000 0.714 331 K HN 0.251 nan 8.250 nan 0.000 0.438 332 R N 0.741 121.061 120.500 -0.299 0.000 2.073 332 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 332 R C 2.093 178.326 176.300 -0.112 0.000 1.134 332 R CA 2.056 58.056 56.100 -0.166 0.000 0.952 332 R CB -0.321 29.922 30.300 -0.094 0.000 0.850 332 R HN 0.205 nan 8.270 nan 0.000 0.433 333 N N -0.158 118.470 118.700 -0.119 0.000 2.058 333 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 333 N C 1.619 177.058 175.510 -0.118 0.000 1.037 333 N CA 2.242 55.228 53.050 -0.107 0.000 0.848 333 N CB -0.140 38.282 38.487 -0.109 0.000 1.021 333 N HN 0.073 nan 8.380 nan 0.000 0.422 334 S N -0.681 114.933 115.700 -0.144 0.000 2.359 334 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 334 S C 2.256 176.789 174.600 -0.112 0.000 1.035 334 S CA 1.291 59.402 58.200 -0.147 0.000 1.018 334 S CB -0.650 62.442 63.200 -0.181 0.000 0.876 334 S HN 0.553 nan 8.310 nan 0.000 0.448 335 C N 1.208 120.448 119.300 -0.100 0.000 2.446 335 C HA 0.026 4.486 4.460 -0.000 0.000 0.277 335 C C 2.940 177.898 174.990 -0.053 0.000 1.275 335 C CA 0.463 59.441 59.018 -0.066 0.000 1.727 335 C CB -1.764 25.946 27.740 -0.051 0.000 2.010 335 C HN 0.734 nan 8.230 nan 0.000 0.486 336 G N 0.534 109.299 108.800 -0.058 0.000 2.404 336 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 336 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 336 G C 1.709 176.577 174.900 -0.055 0.000 1.174 336 G CA 0.672 45.743 45.100 -0.049 0.000 0.780 336 G HN 0.402 nan 8.290 nan 0.000 0.537 337 K N 1.042 121.399 120.400 -0.071 0.000 2.057 337 K HA 0.076 4.396 4.320 -0.000 0.000 0.206 337 K C 2.886 179.440 176.600 -0.077 0.000 1.050 337 K CA 1.169 57.408 56.287 -0.079 0.000 0.935 337 K CB -0.890 31.551 32.500 -0.100 0.000 0.715 337 K HN 0.253 nan 8.250 nan 0.000 0.439 338 A N 1.582 124.356 122.820 -0.076 0.000 1.883 338 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 338 A C 2.243 179.798 177.584 -0.048 0.000 1.186 338 A CA 1.438 53.434 52.037 -0.069 0.000 0.624 338 A CB -0.705 18.254 19.000 -0.069 0.000 0.822 338 A HN 0.219 nan 8.150 nan 0.000 0.444 339 L N 0.330 121.531 121.223 -0.036 0.000 2.012 339 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 339 L C 1.696 178.552 176.870 -0.023 0.000 1.073 339 L CA 2.615 57.442 54.840 -0.021 0.000 0.748 339 L CB -0.805 41.247 42.059 -0.012 0.000 0.891 339 L HN 0.382 nan 8.230 nan 0.000 0.431 340 D N -0.427 119.954 120.400 -0.032 0.000 2.123 340 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 340 D C 2.314 178.593 176.300 -0.034 0.000 0.992 340 D CA 1.932 55.912 54.000 -0.033 0.000 0.833 340 D CB -0.116 40.658 40.800 -0.042 0.000 0.954 340 D HN 0.461 nan 8.370 nan 0.000 0.455 341 I N 0.941 121.485 120.570 -0.043 0.000 2.286 341 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 341 I C 2.495 178.602 176.117 -0.016 0.000 1.104 341 I CA 0.714 61.992 61.300 -0.037 0.000 1.397 341 I CB -0.148 37.819 38.000 -0.056 0.000 1.072 341 I HN -0.098 nan 8.210 nan 0.000 0.417 342 A N 1.046 123.854 122.820 -0.020 0.000 1.908 342 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 342 A C 2.395 179.975 177.584 -0.007 0.000 1.181 342 A CA 1.616 53.648 52.037 -0.009 0.000 0.627 342 A CB -0.571 18.429 19.000 -0.001 0.000 0.818 342 A HN 0.316 nan 8.150 nan 0.000 0.445 343 R N -1.413 119.082 120.500 -0.008 0.000 2.092 343 R HA -0.050 4.290 4.340 -0.000 0.000 0.231 343 R C 2.005 178.300 176.300 -0.009 0.000 1.119 343 R CA 1.168 57.264 56.100 -0.008 0.000 0.970 343 R CB -0.457 29.839 30.300 -0.006 0.000 0.864 343 R HN 0.414 nan 8.270 nan 0.000 0.440 344 L N 0.625 121.844 121.223 -0.007 0.000 2.017 344 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 344 L C 2.333 179.206 176.870 0.004 0.000 1.073 344 L CA 1.899 56.738 54.840 -0.001 0.000 0.745 344 L CB -0.868 41.189 42.059 -0.003 0.000 0.894 344 L HN 0.141 nan 8.230 nan 0.000 0.432 345 A N -0.741 122.084 122.820 0.007 0.000 1.877 345 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 345 A C 2.425 179.980 177.584 -0.047 0.000 1.186 345 A CA 1.800 53.838 52.037 0.001 0.000 0.620 345 A CB -0.559 18.454 19.000 0.020 0.000 0.822 345 A HN 0.390 nan 8.150 nan 0.000 0.443 346 R N 0.572 121.047 120.500 -0.041 0.000 2.096 346 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 346 R C 1.140 177.404 176.300 -0.060 0.000 1.139 346 R CA 2.294 58.360 56.100 -0.057 0.000 0.952 346 R CB -0.786 29.495 30.300 -0.032 0.000 0.854 346 R HN 0.462 nan 8.270 nan 0.000 0.436 347 D N -0.471 119.909 120.400 -0.033 0.000 2.310 347 D HA -0.085 4.555 4.640 -0.000 0.000 0.212 347 D C 1.575 177.865 176.300 -0.017 0.000 0.965 347 D CA 1.091 55.080 54.000 -0.020 0.000 0.879 347 D CB -0.039 40.758 40.800 -0.005 0.000 0.921 347 D HN 0.383 nan 8.370 nan 0.000 0.510 348 M N -0.265 119.319 119.600 -0.027 0.000 2.506 348 M HA 0.064 4.544 4.480 -0.000 0.000 0.260 348 M C 0.396 176.660 176.300 -0.060 0.000 1.104 348 M CA 0.342 55.642 55.300 0.001 0.000 1.112 348 M CB 0.287 32.911 32.600 0.040 0.000 1.401 348 M HN -0.134 nan 8.290 nan 0.000 0.473 349 L N -0.605 120.483 121.223 -0.226 0.000 2.371 349 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 349 L C 1.428 178.221 176.870 -0.128 0.000 1.124 349 L CA -0.482 54.105 54.840 -0.422 0.000 0.816 349 L CB 0.722 42.498 42.059 -0.471 0.000 1.129 349 L HN 0.140 nan 8.230 nan 0.000 0.448 350 G N 1.364 110.155 108.800 -0.014 0.000 2.559 350 G HA2 0.142 4.102 3.960 -0.000 0.000 0.209 350 G HA3 0.142 4.102 3.960 -0.000 0.000 0.209 350 G C 0.812 175.727 174.900 0.026 0.000 1.151 350 G CA 0.559 45.692 45.100 0.055 0.000 0.824 350 G HN 0.771 nan 8.290 nan 0.000 0.543 351 G N -0.096 108.720 108.800 0.027 0.000 2.529 351 G HA2 0.356 4.316 3.960 -0.000 0.000 0.234 351 G HA3 0.356 4.316 3.960 -0.000 0.000 0.234 351 G C -0.135 174.765 174.900 0.000 0.000 1.527 351 G CA 0.107 45.218 45.100 0.019 0.000 1.062 351 G HN 0.500 nan 8.290 nan 0.000 0.558 360 V N 2.306 122.220 119.914 0.001 0.000 2.358 360 V HA 0.030 4.150 4.120 -0.000 0.000 0.246 360 V C 3.241 179.322 176.094 -0.021 0.000 1.047 360 V CA 2.815 65.133 62.300 0.030 0.000 1.035 360 V CB -0.568 31.247 31.823 -0.013 0.000 0.658 360 V HN 0.546 nan 8.190 nan 0.000 0.452 361 A N -0.144 122.634 122.820 -0.070 0.000 1.972 361 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 361 A C 2.400 179.903 177.584 -0.136 0.000 1.169 361 A CA 2.070 54.062 52.037 -0.074 0.000 0.635 361 A CB -0.521 18.444 19.000 -0.060 0.000 0.810 361 A HN 0.504 nan 8.150 nan 0.000 0.446 362 R N -1.414 118.910 120.500 -0.293 0.000 2.062 362 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 362 R C 2.040 178.085 176.300 -0.425 0.000 1.128 362 R CA 1.636 57.359 56.100 -0.628 0.000 0.960 362 R CB -0.448 29.265 30.300 -0.979 0.000 0.855 362 R HN 0.704 nan 8.270 nan 0.000 0.432 363 H N 0.033 118.960 119.070 -0.237 0.000 2.353 363 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 363 H C 1.934 177.211 175.328 -0.085 0.000 1.103 363 H CA 1.771 57.736 56.048 -0.138 0.000 1.293 363 H CB -0.003 29.701 29.762 -0.096 0.000 1.372 363 H HN 0.131 nan 8.280 nan 0.000 0.501 364 L N 0.902 122.155 121.223 0.049 0.000 1.970 364 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 364 L C 2.487 179.377 176.870 0.032 0.000 1.071 364 L CA 1.785 56.642 54.840 0.029 0.000 0.751 364 L CB -0.896 41.169 42.059 0.011 0.000 0.889 364 L HN 0.319 nan 8.230 nan 0.000 0.432 365 V N -2.270 117.664 119.914 0.033 0.000 2.490 365 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 365 V C 2.127 178.279 176.094 0.098 0.000 1.061 365 V CA 2.192 64.540 62.300 0.080 0.000 1.064 365 V CB -1.447 30.464 31.823 0.146 0.000 0.670 365 V HN 0.621 nan 8.190 nan 0.000 0.461 366 N N 0.863 119.612 118.700 0.082 0.000 2.043 366 N HA -0.079 4.661 4.740 -0.000 0.000 0.193 366 N C 1.847 177.396 175.510 0.065 0.000 1.037 366 N CA 1.857 54.958 53.050 0.086 0.000 0.851 366 N CB -0.370 38.142 38.487 0.043 0.000 1.027 366 N HN 0.439 nan 8.380 nan 0.000 0.422 367 L N 0.951 122.206 121.223 0.054 0.000 2.275 367 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 367 L C 1.907 178.801 176.870 0.039 0.000 1.119 367 L CA 0.948 55.811 54.840 0.039 0.000 0.790 367 L CB -0.234 41.841 42.059 0.027 0.000 0.919 367 L HN 0.235 nan 8.230 nan 0.000 0.443 368 E N -0.532 119.695 120.200 0.045 0.000 2.150 368 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 368 E C 2.228 178.860 176.600 0.053 0.000 0.985 368 E CA 0.932 57.358 56.400 0.044 0.000 0.814 368 E CB 0.114 29.838 29.700 0.040 0.000 0.752 368 E HN 0.265 nan 8.360 nan 0.000 0.466 369 V N 0.312 120.265 119.914 0.065 0.000 2.407 369 V HA -0.181 3.938 4.120 -0.000 0.000 0.245 369 V C 2.211 178.378 176.094 0.122 0.000 1.041 369 V CA 1.012 63.362 62.300 0.082 0.000 1.040 369 V CB -0.142 31.734 31.823 0.089 0.000 0.671 369 V HN 0.129 nan 8.190 nan 0.000 0.455 370 V N 0.714 120.679 119.914 0.084 0.000 2.295 370 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 370 V C 2.318 178.467 176.094 0.093 0.000 1.049 370 V CA 2.526 64.863 62.300 0.062 0.000 1.024 370 V CB -0.939 30.893 31.823 0.015 0.000 0.648 370 V HN 0.604 nan 8.190 nan 0.000 0.447 371 N N -0.581 118.161 118.700 0.069 0.000 2.309 371 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 371 N C 1.694 177.258 175.510 0.089 0.000 1.018 371 N CA 1.623 54.709 53.050 0.061 0.000 0.876 371 N CB -0.083 38.423 38.487 0.031 0.000 0.972 371 N HN 0.374 nan 8.380 nan 0.000 0.434 372 T N -1.245 113.373 114.554 0.106 0.000 3.060 372 T HA 0.040 4.390 4.350 -0.000 0.000 0.249 372 T C 1.157 175.919 174.700 0.104 0.000 1.079 372 T CA -0.203 61.957 62.100 0.101 0.000 1.013 372 T CB -0.297 68.610 68.868 0.065 0.000 0.975 372 T HN 0.280 nan 8.240 nan 0.000 0.518 373 Y N 2.203 122.516 120.300 0.021 0.000 2.165 373 Y HA 0.001 4.551 4.550 0.000 0.000 0.286 373 Y C 1.067 176.983 175.900 0.027 0.000 1.155 373 Y CA 1.179 59.285 58.100 0.010 0.000 1.164 373 Y CB 0.251 38.728 38.460 0.028 0.000 0.978 373 Y HN 0.305 nan 8.280 nan 0.000 0.513 378 D N -0.153 120.095 120.400 -0.254 0.000 2.760 378 D HA -0.160 4.480 4.640 -0.000 0.000 0.244 378 D C 0.946 177.194 176.300 -0.086 0.000 1.123 378 D CA 0.919 54.804 54.000 -0.191 0.000 0.719 378 D CB -1.092 39.566 40.800 -0.236 0.000 1.045 378 D HN 0.620 nan 8.370 nan 0.000 0.426 379 I N 0.540 121.037 120.570 -0.122 0.000 2.361 379 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 379 I C 1.982 177.976 176.117 -0.206 0.000 1.133 379 I CA 1.555 62.745 61.300 -0.182 0.000 1.413 379 I CB -0.072 37.773 38.000 -0.259 0.000 1.073 379 I HN 0.318 nan 8.210 nan 0.000 0.424 380 H N 0.526 119.604 119.070 0.012 0.000 2.395 380 H HA 0.134 4.690 4.556 -0.000 0.000 0.299 380 H C 2.281 177.610 175.328 0.002 0.000 1.070 380 H CA 1.266 57.324 56.048 0.016 0.000 1.356 380 H CB -0.488 29.280 29.762 0.010 0.000 1.401 380 H HN 0.481 nan 8.280 nan 0.000 0.524 381 A N 1.380 124.251 122.820 0.085 0.000 1.933 381 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 381 A C 2.601 180.198 177.584 0.021 0.000 1.175 381 A CA 0.912 52.971 52.037 0.037 0.000 0.628 381 A CB -0.702 18.302 19.000 0.007 0.000 0.814 381 A HN 0.254 nan 8.150 nan 0.000 0.444 382 L N -0.945 120.282 121.223 0.008 0.000 2.131 382 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 382 L C 2.383 179.255 176.870 0.003 0.000 1.087 382 L CA 0.769 55.609 54.840 -0.000 0.000 0.767 382 L CB -0.588 41.465 42.059 -0.010 0.000 0.917 382 L HN 0.307 nan 8.230 nan 0.000 0.441 383 I N 0.286 120.862 120.570 0.010 0.000 2.208 383 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 383 I C 2.454 178.592 176.117 0.035 0.000 1.097 383 I CA 1.495 62.811 61.300 0.026 0.000 1.363 383 I CB -0.211 37.828 38.000 0.064 0.000 1.051 383 I HN 0.210 nan 8.210 nan 0.000 0.413 384 L N 0.123 121.374 121.223 0.046 0.000 2.093 384 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 384 L C 2.662 179.543 176.870 0.018 0.000 1.085 384 L CA 1.354 56.215 54.840 0.035 0.000 0.755 384 L CB -1.131 40.950 42.059 0.037 0.000 0.904 384 L HN 0.319 nan 8.230 nan 0.000 0.435 385 G N -0.078 108.730 108.800 0.014 0.000 2.421 385 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.216 385 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.216 385 G C 1.739 176.640 174.900 0.003 0.000 1.171 385 G CA 0.695 45.798 45.100 0.006 0.000 0.775 385 G HN 0.259 nan 8.290 nan 0.000 0.543 386 R N 0.641 121.142 120.500 0.001 0.000 2.081 386 R HA 0.022 4.362 4.340 -0.000 0.000 0.235 386 R C 2.781 179.080 176.300 -0.003 0.000 1.131 386 R CA 1.505 57.603 56.100 -0.004 0.000 0.960 386 R CB -0.438 29.855 30.300 -0.010 0.000 0.856 386 R HN 0.269 nan 8.270 nan 0.000 0.436 387 A N 0.468 123.290 122.820 0.003 0.000 2.019 387 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 387 A C 1.930 179.516 177.584 0.003 0.000 1.164 387 A CA 1.288 53.327 52.037 0.004 0.000 0.644 387 A CB -0.257 18.750 19.000 0.013 0.000 0.805 387 A HN 0.517 nan 8.150 nan 0.000 0.449 388 Q N -1.480 118.322 119.800 0.003 0.000 2.302 388 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 388 Q C 1.828 177.827 176.000 -0.000 0.000 0.936 388 Q CA 1.520 57.324 55.803 0.002 0.000 0.886 388 Q CB 0.196 28.935 28.738 0.002 0.000 0.986 388 Q HN 0.842 nan 8.270 nan 0.000 0.487 389 T N -5.890 108.663 114.554 -0.001 0.000 2.975 389 T HA 0.354 4.704 4.350 -0.000 0.000 0.261 389 T C 1.387 176.085 174.700 -0.004 0.000 0.984 389 T CA 0.543 62.641 62.100 -0.003 0.000 0.911 389 T CB 1.044 69.911 68.868 -0.002 0.000 1.127 389 T HN 0.325 nan 8.240 nan 0.000 0.514 390 G N 1.910 110.707 108.800 -0.005 0.000 2.396 390 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 390 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 390 G C -0.036 174.859 174.900 -0.009 0.000 1.069 390 G CA 0.225 45.320 45.100 -0.008 0.000 0.633 390 G HN 0.650 nan 8.290 nan 0.000 0.517 391 I N 1.898 122.463 120.570 -0.008 0.000 2.428 391 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 391 I C 0.645 176.756 176.117 -0.009 0.000 1.019 391 I CA -0.389 60.906 61.300 -0.008 0.000 1.351 391 I CB 1.626 39.622 38.000 -0.006 0.000 1.412 391 I HN 0.238 nan 8.210 nan 0.000 0.513 392 Q N 6.316 126.110 119.800 -0.011 0.000 2.256 392 Q HA 0.669 5.009 4.340 -0.000 0.000 0.254 392 Q C -1.001 174.993 176.000 -0.009 0.000 0.916 392 Q CA -0.576 55.219 55.803 -0.012 0.000 0.932 392 Q CB 1.793 30.520 28.738 -0.018 0.000 1.207 392 Q HN 0.790 nan 8.270 nan 0.000 0.426 393 A N 0.000 122.816 122.820 -0.007 0.000 2.254 393 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 393 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 393 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486