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 2q0j_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLRLSAPGQL DDDLCLLGDV QVPVFLLRLG EASWALVEGG ISRDAELVWA DATA SEQUENCE DLCRWVADPS QVHYWLITHK HYDHCGLLPY LCPRLPNVQV LASERTCQAW DATA SEQUENCE KSESAVRVVE RLNRQLLRAE QRLPEACAWD ALPVRAVADG EWLELGPRHR DATA SEQUENCE LQVIEAHGHS DDHVVFYDVR RRRLFCGDAL GEFDEAEGVW RPLVFDDMEA DATA SEQUENCE YLESLERLQR LPTLLQLIPG HGGLLRGRLA ADGAESAYTE CLRLCRRLLW DATA SEQUENCE RQSMGESLDE LSEELHRAWG GQSVDFLPGE LHLGSMRRML EILSRQALPL DATA SEQUENCE D 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 L N 0.981 122.203 121.223 -0.001 0.000 2.375 2 L HA 0.345 4.686 4.340 0.001 0.000 0.215 2 L C 0.990 177.833 176.870 -0.044 0.000 1.108 2 L CA 0.738 55.570 54.840 -0.013 0.000 0.830 2 L CB 0.277 42.338 42.059 0.004 0.000 0.959 2 L HN 0.420 nan 8.230 nan 0.000 0.457 3 R N 0.355 120.834 120.500 -0.035 0.000 2.533 3 R HA 0.457 4.797 4.340 0.001 0.000 0.288 3 R C -1.673 174.618 176.300 -0.014 0.000 1.039 3 R CA -0.501 55.565 56.100 -0.057 0.000 0.909 3 R CB 1.190 31.448 30.300 -0.071 0.000 1.195 3 R HN -0.036 nan 8.270 nan 0.000 0.438 4 L N 4.331 125.550 121.223 -0.006 0.000 2.262 4 L HA 0.341 4.681 4.340 0.001 0.000 0.288 4 L C 0.777 177.677 176.870 0.051 0.000 1.035 4 L CA -0.426 54.429 54.840 0.025 0.000 0.820 4 L CB 1.867 43.943 42.059 0.027 0.000 1.204 4 L HN 0.872 nan 8.230 nan 0.000 0.424 5 S N 0.837 116.570 115.700 0.054 0.000 2.559 5 S HA 0.304 4.775 4.470 0.001 0.000 0.226 5 S C 0.564 175.202 174.600 0.063 0.000 1.000 5 S CA -0.223 58.018 58.200 0.067 0.000 0.948 5 S CB 0.685 63.923 63.200 0.064 0.000 0.870 5 S HN 0.540 nan 8.310 nan 0.000 0.497 6 A N 3.010 125.866 122.820 0.059 0.000 2.301 6 A HA 0.740 5.060 4.320 0.001 0.000 0.298 6 A C -2.610 175.010 177.584 0.061 0.000 1.185 6 A CA -1.783 50.288 52.037 0.057 0.000 0.830 6 A CB -0.131 18.903 19.000 0.057 0.000 1.112 6 A HN 0.286 nan 8.150 nan 0.000 0.508 7 P HA 0.375 nan 4.420 nan 0.000 0.267 7 P C 0.754 178.127 177.300 0.121 0.000 1.201 7 P CA 1.555 64.695 63.100 0.067 0.000 0.775 7 P CB 0.462 32.200 31.700 0.062 0.000 0.854 8 G N 0.505 109.408 108.800 0.171 0.000 2.409 8 G HA2 -0.112 3.849 3.960 0.001 0.000 0.421 8 G HA3 -0.112 3.849 3.960 0.001 0.000 0.421 8 G C -1.203 173.690 174.900 -0.011 0.000 1.259 8 G CA -0.860 44.409 45.100 0.281 0.000 1.011 8 G HN 0.544 nan 8.290 nan 0.000 0.497 9 Q N -0.151 119.610 119.800 -0.064 0.000 2.311 9 Q HA 0.429 4.770 4.340 0.001 0.000 0.272 9 Q C 0.973 176.942 176.000 -0.052 0.000 1.012 9 Q CA 0.134 55.821 55.803 -0.194 0.000 0.891 9 Q CB 0.815 29.465 28.738 -0.146 0.000 1.201 9 Q HN 0.485 nan 8.270 nan 0.000 0.391 10 L N 0.879 122.072 121.223 -0.049 0.000 2.642 10 L HA 0.290 4.631 4.340 0.001 0.000 0.233 10 L C 0.353 177.217 176.870 -0.009 0.000 1.077 10 L CA 0.189 55.031 54.840 0.002 0.000 0.879 10 L CB 0.530 42.617 42.059 0.045 0.000 1.151 10 L HN 0.579 nan 8.230 nan 0.000 0.495 11 D N -1.004 119.382 120.400 -0.024 0.000 2.713 11 D HA 0.022 4.663 4.640 0.001 0.000 0.306 11 D C -0.591 175.696 176.300 -0.022 0.000 1.299 11 D CA -0.161 53.830 54.000 -0.016 0.000 0.823 11 D CB 1.537 42.331 40.800 -0.010 0.000 1.353 11 D HN 0.049 nan 8.370 nan 0.000 0.447 12 D N -0.981 119.413 120.400 -0.011 0.000 2.312 12 D HA -0.098 4.543 4.640 0.001 0.000 0.211 12 D C 0.668 176.963 176.300 -0.008 0.000 0.964 12 D CA 1.078 55.072 54.000 -0.010 0.000 0.877 12 D CB 0.141 40.937 40.800 -0.008 0.000 0.924 12 D HN 0.320 nan 8.370 nan 0.000 0.515 13 D N -0.472 119.935 120.400 0.012 0.000 2.479 13 D HA 0.131 4.772 4.640 0.001 0.000 0.218 13 D C -0.091 176.234 176.300 0.041 0.000 1.177 13 D CA -0.491 53.537 54.000 0.046 0.000 0.830 13 D CB 0.113 41.011 40.800 0.162 0.000 1.014 13 D HN 0.259 nan 8.370 nan 0.000 0.503 14 L N 0.653 121.876 121.223 0.001 0.000 2.505 14 L HA 0.489 4.829 4.340 0.001 0.000 0.266 14 L C -1.805 175.020 176.870 -0.075 0.000 0.954 14 L CA -0.436 54.415 54.840 0.018 0.000 0.852 14 L CB 1.960 44.065 42.059 0.077 0.000 1.282 14 L HN 0.028 nan 8.230 nan 0.000 0.403 15 C N 3.948 123.175 119.300 -0.122 0.000 2.667 15 C HA 0.763 5.224 4.460 0.001 0.000 0.323 15 C C -0.713 174.253 174.990 -0.040 0.000 1.214 15 C CA -0.941 57.925 59.018 -0.254 0.000 1.721 15 C CB 1.593 28.892 27.740 -0.734 0.000 2.275 15 C HN 0.757 nan 8.230 nan 0.000 0.491 16 L N 3.127 124.322 121.223 -0.046 0.000 2.296 16 L HA 0.697 5.038 4.340 0.001 0.000 0.286 16 L C -0.829 175.981 176.870 -0.101 0.000 1.023 16 L CA -0.351 54.432 54.840 -0.095 0.000 0.812 16 L CB 0.279 42.327 42.059 -0.018 0.000 1.223 16 L HN 0.605 nan 8.230 nan 0.000 0.421 17 L N 5.500 126.619 121.223 -0.173 0.000 2.325 17 L HA 0.843 5.183 4.340 0.001 0.000 0.278 17 L C 1.025 177.829 176.870 -0.110 0.000 1.023 17 L CA -0.185 54.601 54.840 -0.090 0.000 0.811 17 L CB 1.338 43.336 42.059 -0.101 0.000 1.249 17 L HN 0.902 nan 8.230 nan 0.000 0.431 18 G N 2.289 111.061 108.800 -0.047 0.000 2.514 18 G HA2 -0.258 3.703 3.960 0.001 0.000 0.265 18 G HA3 -0.258 3.703 3.960 0.001 0.000 0.265 18 G C -0.723 174.155 174.900 -0.036 0.000 1.150 18 G CA 0.005 45.082 45.100 -0.038 0.000 0.959 18 G HN 0.692 nan 8.290 nan 0.000 0.556 19 D N -0.150 120.225 120.400 -0.042 0.000 2.217 19 D HA 0.508 5.148 4.640 0.001 0.000 0.243 19 D C 1.417 177.690 176.300 -0.044 0.000 1.054 19 D CA 0.199 54.186 54.000 -0.021 0.000 0.838 19 D CB 1.681 42.481 40.800 0.000 0.000 1.162 19 D HN 0.655 nan 8.370 nan 0.000 0.472 20 V N 4.418 124.326 119.914 -0.010 0.000 2.594 20 V HA -0.236 3.885 4.120 0.001 0.000 0.253 20 V C 2.176 178.291 176.094 0.035 0.000 1.069 20 V CA 2.634 64.939 62.300 0.008 0.000 1.082 20 V CB -0.452 31.401 31.823 0.050 0.000 0.680 20 V HN 0.730 nan 8.190 nan 0.000 0.469 21 Q N -0.207 119.614 119.800 0.036 0.000 2.167 21 Q HA -0.065 4.275 4.340 0.001 0.000 0.202 21 Q C 0.602 176.517 176.000 -0.141 0.000 0.970 21 Q CA 1.800 57.618 55.803 0.025 0.000 0.855 21 Q CB -0.044 28.760 28.738 0.110 0.000 0.911 21 Q HN 0.513 nan 8.270 nan 0.000 0.438 22 V N 3.247 123.057 119.914 -0.173 0.000 2.462 22 V HA 0.344 4.465 4.120 0.001 0.000 0.257 22 V C -2.449 173.533 176.094 -0.185 0.000 0.944 22 V CA -1.522 60.637 62.300 -0.234 0.000 0.903 22 V CB 0.983 32.623 31.823 -0.306 0.000 1.128 22 V HN 0.233 nan 8.190 nan 0.000 0.486 23 P HA 0.413 nan 4.420 nan 0.000 0.277 23 P C -0.668 176.383 177.300 -0.415 0.000 1.240 23 P CA -0.180 62.700 63.100 -0.367 0.000 0.798 23 P CB 2.396 33.757 31.700 -0.566 0.000 0.979 24 V N 2.638 122.297 119.914 -0.425 0.000 2.495 24 V HA 0.364 4.484 4.120 0.001 0.000 0.298 24 V C -0.038 175.771 176.094 -0.475 0.000 1.031 24 V CA -0.439 61.694 62.300 -0.278 0.000 0.871 24 V CB 0.844 32.614 31.823 -0.088 0.000 0.988 24 V HN 0.355 nan 8.190 nan 0.000 0.432 25 F N 4.404 124.371 119.950 0.027 0.000 2.404 25 F HA 0.609 5.137 4.527 0.001 0.000 0.339 25 F C -0.101 175.657 175.800 -0.070 0.000 1.105 25 F CA -0.641 57.373 58.000 0.024 0.000 1.087 25 F CB 1.549 40.654 39.000 0.175 0.000 1.143 25 F HN 0.281 nan 8.300 nan 0.000 0.491 26 L N 4.959 126.231 121.223 0.081 0.000 2.298 26 L HA 0.524 4.865 4.340 0.001 0.000 0.284 26 L C -1.224 175.695 176.870 0.082 0.000 1.013 26 L CA -0.312 54.531 54.840 0.005 0.000 0.824 26 L CB 0.694 42.694 42.059 -0.098 0.000 1.221 26 L HN 0.508 nan 8.230 nan 0.000 0.418 27 L N 4.878 126.142 121.223 0.068 0.000 2.295 27 L HA 0.548 4.888 4.340 0.001 0.000 0.285 27 L C 0.095 176.968 176.870 0.005 0.000 1.035 27 L CA -0.702 54.133 54.840 -0.007 0.000 0.806 27 L CB 1.603 43.556 42.059 -0.177 0.000 1.214 27 L HN 0.596 nan 8.230 nan 0.000 0.426 28 R N 3.088 123.519 120.500 -0.114 0.000 2.205 28 R HA 0.301 4.641 4.340 0.001 0.000 0.342 28 R C 0.481 176.592 176.300 -0.316 0.000 1.058 28 R CA -0.231 55.603 56.100 -0.442 0.000 0.904 28 R CB 0.534 30.500 30.300 -0.556 0.000 1.089 28 R HN 0.720 nan 8.270 nan 0.000 0.471 29 L N 2.674 123.701 121.223 -0.327 0.000 2.270 29 L HA 0.329 4.670 4.340 0.001 0.000 0.210 29 L C 1.172 177.999 176.870 -0.071 0.000 1.104 29 L CA 0.610 55.379 54.840 -0.119 0.000 0.804 29 L CB 0.106 42.146 42.059 -0.032 0.000 0.937 29 L HN 0.824 nan 8.230 nan 0.000 0.450 30 G N -1.290 107.372 108.800 -0.229 0.000 2.489 30 G HA2 0.146 4.106 3.960 0.001 0.000 0.305 30 G HA3 0.146 4.106 3.960 0.001 0.000 0.305 30 G C -0.199 174.536 174.900 -0.276 0.000 1.311 30 G CA -0.115 44.882 45.100 -0.173 0.000 0.813 30 G HN -0.156 nan 8.290 nan 0.000 0.480 31 E N -0.179 119.929 120.200 -0.153 0.000 2.070 31 E HA 0.007 4.358 4.350 0.001 0.000 0.197 31 E C 1.650 178.191 176.600 -0.099 0.000 1.004 31 E CA 2.438 58.768 56.400 -0.116 0.000 0.805 31 E CB -0.185 29.490 29.700 -0.041 0.000 0.744 31 E HN 0.979 nan 8.360 nan 0.000 0.451 32 A N -0.273 122.516 122.820 -0.052 0.000 2.985 32 A HA 0.550 4.871 4.320 0.001 0.000 0.303 32 A C -0.300 177.325 177.584 0.067 0.000 1.048 32 A CA 0.139 52.206 52.037 0.051 0.000 1.016 32 A CB 0.258 19.316 19.000 0.096 0.000 1.118 32 A HN 0.065 nan 8.150 nan 0.000 0.529 33 S N -0.698 114.894 115.700 -0.179 0.000 2.563 33 S HA 0.679 5.150 4.470 0.001 0.000 0.279 33 S C -2.083 172.272 174.600 -0.409 0.000 1.155 33 S CA -0.353 57.799 58.200 -0.080 0.000 0.928 33 S CB 0.629 63.927 63.200 0.163 0.000 1.107 33 S HN 0.474 nan 8.310 nan 0.000 0.462 34 W N 1.985 123.214 121.300 -0.118 0.000 3.062 34 W HA 0.821 5.482 4.660 0.001 0.000 0.336 34 W C -0.364 176.102 176.519 -0.087 0.000 1.224 34 W CA -0.626 56.650 57.345 -0.115 0.000 1.159 34 W CB 1.644 31.007 29.460 -0.161 0.000 1.454 34 W HN 0.864 nan 8.180 nan 0.000 0.569 35 A N 1.487 124.396 122.820 0.149 0.000 2.435 35 A HA 0.909 5.230 4.320 0.001 0.000 0.304 35 A C -1.576 175.965 177.584 -0.072 0.000 1.064 35 A CA -0.808 51.263 52.037 0.058 0.000 0.727 35 A CB 1.077 20.107 19.000 0.049 0.000 1.284 35 A HN 0.663 nan 8.150 nan 0.000 0.415 36 L N 1.129 122.225 121.223 -0.211 0.000 2.343 36 L HA 0.688 5.029 4.340 0.001 0.000 0.275 36 L C -0.737 176.041 176.870 -0.154 0.000 1.056 36 L CA -0.861 53.748 54.840 -0.385 0.000 0.804 36 L CB 1.700 43.065 42.059 -1.157 0.000 1.203 36 L HN 0.422 nan 8.230 nan 0.000 0.440 37 V N 1.533 121.421 119.914 -0.043 0.000 2.638 37 V HA 0.489 4.609 4.120 0.001 0.000 0.306 37 V C -0.679 175.596 176.094 0.302 0.000 1.052 37 V CA -0.691 61.617 62.300 0.012 0.000 0.885 37 V CB 1.590 33.143 31.823 -0.450 0.000 0.999 37 V HN 0.834 nan 8.190 nan 0.000 0.424 38 E N 2.384 122.813 120.200 0.382 0.000 8.078 38 E HA -0.139 4.212 4.350 0.001 0.000 0.466 38 E C 0.615 177.505 176.600 0.483 0.000 0.790 38 E CA 0.751 57.397 56.400 0.410 0.000 1.391 38 E CB -0.626 29.310 29.700 0.394 0.000 0.986 38 E HN 1.064 nan 8.360 nan 0.000 0.262 39 G N 0.784 109.767 108.800 0.306 0.000 3.192 39 G HA2 0.470 4.431 3.960 0.001 0.000 0.239 39 G HA3 0.470 4.431 3.960 0.001 0.000 0.239 39 G C 0.760 175.764 174.900 0.173 0.000 1.084 39 G CA 1.288 46.511 45.100 0.204 0.000 0.784 39 G HN 1.112 nan 8.290 nan 0.000 0.540 40 G N 0.400 109.254 108.800 0.091 0.000 2.752 40 G HA2 -0.157 3.804 3.960 0.001 0.000 0.234 40 G HA3 -0.157 3.804 3.960 0.001 0.000 0.234 40 G C 0.100 175.013 174.900 0.021 0.000 1.367 40 G CA -0.027 45.087 45.100 0.022 0.000 0.879 40 G HN 1.148 nan 8.290 nan 0.000 0.563 41 I N -2.974 117.620 120.570 0.040 0.000 2.525 41 I HA 0.697 4.868 4.170 0.001 0.000 0.301 41 I C 1.206 177.391 176.117 0.113 0.000 0.992 41 I CA -0.332 61.032 61.300 0.107 0.000 1.162 41 I CB 1.839 39.919 38.000 0.134 0.000 1.332 41 I HN 0.428 nan 8.210 nan 0.000 0.458 42 S N 3.093 118.876 115.700 0.139 0.000 2.383 42 S HA -0.203 4.268 4.470 0.001 0.000 0.229 42 S C 1.760 176.292 174.600 -0.113 0.000 1.030 42 S CA 2.076 60.286 58.200 0.017 0.000 1.002 42 S CB -0.512 62.714 63.200 0.043 0.000 0.829 42 S HN 0.863 nan 8.310 nan 0.000 0.467 43 R N 1.628 122.114 120.500 -0.024 0.000 2.193 43 R HA 0.013 4.354 4.340 0.001 0.000 0.229 43 R C 0.431 176.718 176.300 -0.022 0.000 1.110 43 R CA 1.579 57.657 56.100 -0.036 0.000 0.988 43 R CB -0.437 29.875 30.300 0.021 0.000 0.871 43 R HN 0.121 nan 8.270 nan 0.000 0.458 44 D N 0.740 121.144 120.400 0.006 0.000 2.319 44 D HA 0.176 4.817 4.640 0.001 0.000 0.230 44 D C 1.396 177.713 176.300 0.029 0.000 1.094 44 D CA 0.657 54.669 54.000 0.020 0.000 0.856 44 D CB 0.568 41.385 40.800 0.029 0.000 0.915 44 D HN 0.404 nan 8.370 nan 0.000 0.517 45 A N 1.179 123.997 122.820 -0.002 0.000 1.859 45 A HA -0.225 4.096 4.320 0.001 0.000 0.217 45 A C 1.974 179.611 177.584 0.089 0.000 1.198 45 A CA 1.277 53.330 52.037 0.027 0.000 0.629 45 A CB -0.238 18.705 19.000 -0.094 0.000 0.830 45 A HN 0.077 nan 8.150 nan 0.000 0.446 46 E N -0.621 119.610 120.200 0.052 0.000 2.274 46 E HA -0.107 4.244 4.350 0.001 0.000 0.194 46 E C 1.866 178.534 176.600 0.113 0.000 0.996 46 E CA 0.856 57.322 56.400 0.110 0.000 0.840 46 E CB -0.355 29.376 29.700 0.051 0.000 0.772 46 E HN 0.549 nan 8.360 nan 0.000 0.491 47 L N 0.411 121.675 121.223 0.068 0.000 2.023 47 L HA -0.083 4.258 4.340 0.001 0.000 0.205 47 L C 2.203 179.100 176.870 0.044 0.000 1.073 47 L CA 1.343 56.209 54.840 0.044 0.000 0.745 47 L CB -0.695 41.380 42.059 0.026 0.000 0.900 47 L HN -0.139 nan 8.230 nan 0.000 0.435 48 V N -0.567 119.382 119.914 0.059 0.000 2.407 48 V HA -0.301 3.819 4.120 0.001 0.000 0.248 48 V C 2.266 178.399 176.094 0.065 0.000 1.055 48 V CA 2.046 64.371 62.300 0.041 0.000 1.049 48 V CB -0.980 30.874 31.823 0.053 0.000 0.662 48 V HN 0.720 nan 8.190 nan 0.000 0.455 49 W N 0.894 122.160 121.300 -0.058 0.000 2.338 49 W HA -0.259 4.402 4.660 0.001 0.000 0.304 49 W C 2.425 178.896 176.519 -0.081 0.000 1.212 49 W CA 1.967 59.269 57.345 -0.073 0.000 1.264 49 W CB -0.159 29.270 29.460 -0.052 0.000 1.142 49 W HN 0.314 nan 8.180 nan 0.000 0.512 50 A N 0.706 123.497 122.820 -0.048 0.000 1.877 50 A HA -0.251 4.070 4.320 0.001 0.000 0.216 50 A C 1.643 179.090 177.584 -0.228 0.000 1.186 50 A CA 2.162 54.103 52.037 -0.159 0.000 0.620 50 A CB -1.173 17.797 19.000 -0.050 0.000 0.822 50 A HN 0.229 nan 8.150 nan 0.000 0.443 51 D N -0.468 119.851 120.400 -0.135 0.000 2.144 51 D HA -0.128 4.513 4.640 0.001 0.000 0.199 51 D C 1.831 178.068 176.300 -0.105 0.000 0.984 51 D CA 1.259 55.207 54.000 -0.087 0.000 0.834 51 D CB -0.386 40.421 40.800 0.012 0.000 0.955 51 D HN 0.349 nan 8.370 nan 0.000 0.465 52 L N 0.645 121.732 121.223 -0.227 0.000 2.017 52 L HA -0.136 4.205 4.340 0.001 0.000 0.208 52 L C 2.032 178.616 176.870 -0.477 0.000 1.073 52 L CA 1.628 56.268 54.840 -0.332 0.000 0.745 52 L CB -0.851 40.947 42.059 -0.434 0.000 0.894 52 L HN 0.051 nan 8.230 nan 0.000 0.432 53 C N -0.092 118.825 119.300 -0.638 0.000 2.419 53 C HA -0.075 4.386 4.460 0.001 0.000 0.281 53 C C 2.711 177.429 174.990 -0.453 0.000 1.336 53 C CA 0.543 59.200 59.018 -0.602 0.000 1.770 53 C CB -1.206 26.138 27.740 -0.660 0.000 1.929 53 C HN 0.516 nan 8.230 nan 0.000 0.509 54 R N -0.394 119.830 120.500 -0.460 0.000 2.105 54 R HA -0.197 4.143 4.340 0.001 0.000 0.239 54 R C 1.702 177.577 176.300 -0.709 0.000 1.135 54 R CA 1.994 57.726 56.100 -0.613 0.000 0.967 54 R CB -0.262 29.565 30.300 -0.789 0.000 0.861 54 R HN 0.681 nan 8.270 nan 0.000 0.442 55 W N -0.867 120.239 121.300 -0.323 0.000 3.013 55 W HA 0.201 4.862 4.660 0.001 0.000 0.280 55 W C -0.170 176.011 176.519 -0.564 0.000 1.249 55 W CA -0.206 56.932 57.345 -0.344 0.000 1.577 55 W CB 0.849 30.099 29.460 -0.352 0.000 1.057 55 W HN -0.296 nan 8.180 nan 0.000 0.613 56 V N 1.102 120.730 119.914 -0.476 0.000 2.385 56 V HA 0.413 4.533 4.120 0.001 0.000 0.277 56 V C 0.771 176.633 176.094 -0.386 0.000 1.012 56 V CA -0.406 61.515 62.300 -0.632 0.000 0.832 56 V CB 0.482 31.703 31.823 -1.003 0.000 1.028 56 V HN 0.061 nan 8.190 nan 0.000 0.436 57 A N 2.684 125.374 122.820 -0.217 0.000 1.972 57 A HA -0.089 4.232 4.320 0.001 0.000 0.219 57 A C 1.049 178.557 177.584 -0.127 0.000 1.169 57 A CA 1.751 53.698 52.037 -0.150 0.000 0.635 57 A CB -0.068 18.892 19.000 -0.067 0.000 0.810 57 A HN 0.734 nan 8.150 nan 0.000 0.446 58 D N -2.081 118.254 120.400 -0.107 0.000 2.454 58 D HA 0.413 5.054 4.640 0.001 0.000 0.247 58 D C -2.291 173.951 176.300 -0.098 0.000 1.129 58 D CA -2.208 51.754 54.000 -0.062 0.000 0.877 58 D CB 1.402 42.202 40.800 0.001 0.000 1.082 58 D HN -0.093 nan 8.370 nan 0.000 0.537 59 P HA -0.122 nan 4.420 nan 0.000 0.221 59 P C 1.074 178.345 177.300 -0.048 0.000 1.145 59 P CA 0.895 63.940 63.100 -0.092 0.000 0.795 59 P CB 0.205 31.957 31.700 0.086 0.000 0.775 60 S N -1.276 114.418 115.700 -0.010 0.000 2.555 60 S HA -0.120 4.351 4.470 0.001 0.000 0.230 60 S C 1.626 176.211 174.600 -0.025 0.000 0.978 60 S CA 0.632 58.842 58.200 0.016 0.000 0.934 60 S CB -0.871 62.359 63.200 0.050 0.000 0.766 60 S HN 0.322 nan 8.310 nan 0.000 0.533 61 Q N 0.708 120.449 119.800 -0.099 0.000 2.425 61 Q HA 0.195 4.536 4.340 0.001 0.000 0.204 61 Q C -0.319 175.348 176.000 -0.554 0.000 0.933 61 Q CA 0.088 55.734 55.803 -0.261 0.000 0.939 61 Q CB 0.141 28.948 28.738 0.116 0.000 1.044 61 Q HN 0.389 nan 8.270 nan 0.000 0.513 62 V N 2.587 122.306 119.914 -0.325 0.000 2.381 62 V HA -0.035 4.085 4.120 0.001 0.000 0.257 62 V C 0.650 176.589 176.094 -0.259 0.000 1.057 62 V CA 0.174 62.329 62.300 -0.241 0.000 1.013 62 V CB 0.110 31.823 31.823 -0.182 0.000 1.069 62 V HN 0.336 nan 8.190 nan 0.000 0.484 63 H N 3.688 122.707 119.070 -0.085 0.000 2.520 63 H HA 0.234 4.791 4.556 0.001 0.000 0.279 63 H C -0.195 174.735 175.328 -0.664 0.000 0.990 63 H CA 0.584 56.400 56.048 -0.385 0.000 1.288 63 H CB 0.369 29.830 29.762 -0.502 0.000 1.446 63 H HN 0.587 nan 8.280 nan 0.000 0.538 64 Y N -1.804 118.585 120.300 0.149 0.000 2.588 64 Y HA 0.330 4.881 4.550 0.001 0.000 0.343 64 Y C -1.032 174.955 175.900 0.146 0.000 1.065 64 Y CA -1.228 56.949 58.100 0.129 0.000 1.038 64 Y CB 2.218 40.717 38.460 0.066 0.000 1.297 64 Y HN -0.053 nan 8.280 nan 0.000 0.467 65 W N 4.795 126.180 121.300 0.141 0.000 2.642 65 W HA 0.507 5.168 4.660 0.001 0.000 0.304 65 W C -2.182 174.337 176.519 -0.001 0.000 1.023 65 W CA -1.619 55.750 57.345 0.041 0.000 1.290 65 W CB 0.911 30.393 29.460 0.037 0.000 1.190 65 W HN 0.455 nan 8.180 nan 0.000 0.374 66 L N 7.061 128.411 121.223 0.212 0.000 2.305 66 L HA 0.471 4.812 4.340 0.001 0.000 0.281 66 L C 0.101 177.004 176.870 0.055 0.000 1.085 66 L CA -0.689 54.054 54.840 -0.161 0.000 0.813 66 L CB 0.918 42.395 42.059 -0.970 0.000 1.157 66 L HN 0.058 nan 8.230 nan 0.000 0.436 67 I N 2.355 123.051 120.570 0.211 0.000 2.436 67 I HA 0.142 4.313 4.170 0.001 0.000 0.289 67 I C 1.248 177.629 176.117 0.441 0.000 1.010 67 I CA -0.261 61.228 61.300 0.314 0.000 1.098 67 I CB 1.924 40.101 38.000 0.295 0.000 1.266 67 I HN 0.699 nan 8.210 nan 0.000 0.434 68 T N 2.268 117.027 114.554 0.343 0.000 2.851 68 T HA 0.011 4.362 4.350 0.001 0.000 0.262 68 T C 0.606 175.212 174.700 -0.157 0.000 1.043 68 T CA 1.145 63.252 62.100 0.011 0.000 1.140 68 T CB -0.018 68.797 68.868 -0.088 0.000 0.872 68 T HN 0.749 nan 8.240 nan 0.000 0.446 69 H N -0.275 118.667 119.070 -0.213 0.000 2.917 69 H HA 0.338 4.894 4.556 0.001 0.000 0.299 69 H C -0.088 175.241 175.328 0.001 0.000 1.418 69 H CA -0.636 55.296 56.048 -0.194 0.000 1.138 69 H CB 0.958 30.538 29.762 -0.302 0.000 1.830 69 H HN 0.191 nan 8.280 nan 0.000 0.514 70 K N 0.016 120.401 120.400 -0.024 0.000 2.444 70 K HA 0.107 4.428 4.320 0.001 0.000 0.193 70 K C -0.230 176.470 176.600 0.167 0.000 1.024 70 K CA -0.172 56.135 56.287 0.033 0.000 1.077 70 K CB -0.174 32.270 32.500 -0.093 0.000 0.833 70 K HN 0.490 nan 8.250 nan 0.000 0.517 71 H N 0.700 119.808 119.070 0.063 0.000 2.929 71 H HA -0.114 4.443 4.556 0.001 0.000 0.358 71 H C 0.921 176.349 175.328 0.167 0.000 1.111 71 H CA 0.088 56.248 56.048 0.187 0.000 1.409 71 H CB 0.411 30.365 29.762 0.320 0.000 1.373 71 H HN 0.294 nan 8.280 nan 0.000 0.610 72 Y N 0.921 121.409 120.300 0.314 0.000 2.315 72 Y HA -0.198 4.353 4.550 0.001 0.000 0.288 72 Y C 1.329 177.371 175.900 0.236 0.000 1.154 72 Y CA 1.055 59.292 58.100 0.228 0.000 1.229 72 Y CB -0.116 38.444 38.460 0.167 0.000 0.980 72 Y HN 0.588 nan 8.280 nan 0.000 0.540 73 D N -1.455 118.529 120.400 -0.693 0.000 2.342 73 D HA -0.053 4.588 4.640 0.001 0.000 0.221 73 D C 0.672 176.648 176.300 -0.540 0.000 1.101 73 D CA 0.257 53.913 54.000 -0.574 0.000 0.837 73 D CB -0.723 39.700 40.800 -0.628 0.000 0.938 73 D HN 0.626 nan 8.370 nan 0.000 0.508 74 H N -0.487 118.548 119.070 -0.059 0.000 3.233 74 H HA 0.199 4.756 4.556 0.001 0.000 0.263 74 H C 0.800 176.157 175.328 0.049 0.000 1.168 74 H CA 0.254 56.281 56.048 -0.035 0.000 1.159 74 H CB 0.879 30.492 29.762 -0.249 0.000 1.593 74 H HN 0.337 nan 8.280 nan 0.000 0.580 75 C N -1.949 117.465 119.300 0.190 0.000 3.722 75 C HA 0.488 4.949 4.460 0.001 0.000 0.279 75 C C 2.157 177.278 174.990 0.219 0.000 1.819 75 C CA 0.183 59.308 59.018 0.178 0.000 1.744 75 C CB -0.690 27.293 27.740 0.406 0.000 3.247 75 C HN 0.326 nan 8.230 nan 0.000 0.549 76 G N 2.010 110.955 108.800 0.242 0.000 2.448 76 G HA2 -0.027 3.934 3.960 0.001 0.000 0.219 76 G HA3 -0.027 3.934 3.960 0.001 0.000 0.219 76 G C 1.315 176.386 174.900 0.285 0.000 1.127 76 G CA 1.057 46.357 45.100 0.333 0.000 0.766 76 G HN 0.612 nan 8.290 nan 0.000 0.552 77 L N -0.151 121.178 121.223 0.177 0.000 2.509 77 L HA 0.255 4.596 4.340 0.001 0.000 0.222 77 L C 2.515 179.419 176.870 0.058 0.000 1.123 77 L CA -0.169 54.817 54.840 0.243 0.000 0.856 77 L CB -0.095 42.173 42.059 0.349 0.000 0.985 77 L HN 0.143 nan 8.230 nan 0.000 0.456 78 L N 0.363 121.384 121.223 -0.336 0.000 2.046 78 L HA -0.130 4.211 4.340 0.001 0.000 0.208 78 L C -0.272 176.219 176.870 -0.631 0.000 1.077 78 L CA 1.345 55.786 54.840 -0.666 0.000 0.747 78 L CB -1.608 39.899 42.059 -0.920 0.000 0.896 78 L HN 0.240 nan 8.230 nan 0.000 0.432 79 P HA -0.140 nan 4.420 nan 0.000 0.226 79 P C 0.783 177.553 177.300 -0.884 0.000 1.153 79 P CA 1.407 63.841 63.100 -1.110 0.000 0.777 79 P CB -0.005 30.707 31.700 -1.647 0.000 0.794 80 Y N -1.592 118.543 120.300 -0.276 0.000 2.479 80 Y HA 0.168 4.718 4.550 0.001 0.000 0.283 80 Y C 2.141 177.940 175.900 -0.167 0.000 1.109 80 Y CA 0.398 58.384 58.100 -0.190 0.000 1.239 80 Y CB -0.416 37.965 38.460 -0.132 0.000 1.108 80 Y HN -0.210 nan 8.280 nan 0.000 0.548 81 L N -2.285 118.984 121.223 0.077 0.000 2.515 81 L HA -0.009 4.331 4.340 0.001 0.000 0.223 81 L C 1.827 178.749 176.870 0.087 0.000 1.079 81 L CA 0.075 54.962 54.840 0.079 0.000 0.857 81 L CB -0.420 41.814 42.059 0.291 0.000 1.050 81 L HN 0.272 nan 8.230 nan 0.000 0.476 82 C N 1.244 120.597 119.300 0.089 0.000 2.413 82 C HA -0.078 4.383 4.460 0.001 0.000 0.276 82 C C 0.294 175.262 174.990 -0.037 0.000 1.248 82 C CA 0.770 59.819 59.018 0.052 0.000 1.742 82 C CB -1.389 26.317 27.740 -0.056 0.000 2.017 82 C HN 0.337 nan 8.230 nan 0.000 0.481 83 P HA -0.129 nan 4.420 nan 0.000 0.218 83 P C 1.169 178.396 177.300 -0.122 0.000 1.146 83 P CA 1.431 64.457 63.100 -0.123 0.000 0.813 83 P CB -0.201 31.402 31.700 -0.162 0.000 0.778 84 R N -1.281 119.117 120.500 -0.171 0.000 2.310 84 R HA 0.194 4.535 4.340 0.001 0.000 0.202 84 R C 0.306 176.623 176.300 0.028 0.000 0.933 84 R CA 0.221 56.199 56.100 -0.202 0.000 1.054 84 R CB -0.094 29.764 30.300 -0.736 0.000 0.985 84 R HN 0.233 nan 8.270 nan 0.000 0.489 85 L N 1.232 122.483 121.223 0.047 0.000 2.445 85 L HA 0.311 4.651 4.340 0.001 0.000 0.252 85 L C -1.927 174.974 176.870 0.051 0.000 1.105 85 L CA -1.858 53.032 54.840 0.084 0.000 0.943 85 L CB 1.613 43.731 42.059 0.098 0.000 1.277 85 L HN -0.211 nan 8.230 nan 0.000 0.465 86 P HA -0.186 nan 4.420 nan 0.000 0.216 86 P C 0.409 177.733 177.300 0.040 0.000 1.154 86 P CA 1.618 64.737 63.100 0.032 0.000 0.865 86 P CB 0.128 31.849 31.700 0.035 0.000 0.789 87 N N -1.501 117.235 118.700 0.059 0.000 2.279 87 N HA 0.144 4.885 4.740 0.001 0.000 0.226 87 N C -0.308 175.241 175.510 0.064 0.000 1.126 87 N CA -0.303 52.794 53.050 0.077 0.000 0.846 87 N CB 0.392 38.977 38.487 0.164 0.000 1.050 87 N HN -0.037 nan 8.380 nan 0.000 0.502 88 V N 1.193 121.139 119.914 0.053 0.000 2.686 88 V HA 0.126 4.247 4.120 0.001 0.000 0.295 88 V C -0.211 175.924 176.094 0.067 0.000 1.055 88 V CA -0.093 62.244 62.300 0.062 0.000 1.050 88 V CB 1.441 33.349 31.823 0.141 0.000 0.984 88 V HN 0.264 nan 8.190 nan 0.000 0.482 89 Q N 4.864 124.707 119.800 0.071 0.000 2.330 89 Q HA 0.560 4.901 4.340 0.001 0.000 0.269 89 Q C -1.685 174.457 176.000 0.237 0.000 1.022 89 Q CA -0.723 55.160 55.803 0.134 0.000 0.796 89 Q CB 2.120 30.933 28.738 0.126 0.000 1.271 89 Q HN 0.603 nan 8.270 nan 0.000 0.450 90 V N 5.514 125.546 119.914 0.198 0.000 2.461 90 V HA 0.281 4.402 4.120 0.001 0.000 0.275 90 V C -0.074 176.157 176.094 0.229 0.000 1.047 90 V CA -0.381 62.039 62.300 0.200 0.000 0.955 90 V CB 0.964 32.831 31.823 0.073 0.000 0.988 90 V HN 0.747 nan 8.190 nan 0.000 0.471 91 L N 5.336 126.694 121.223 0.224 0.000 2.294 91 L HA 0.829 5.170 4.340 0.001 0.000 0.283 91 L C 0.141 177.148 176.870 0.229 0.000 1.015 91 L CA -0.108 54.848 54.840 0.194 0.000 0.831 91 L CB 1.283 43.415 42.059 0.122 0.000 1.217 91 L HN 0.796 nan 8.230 nan 0.000 0.420 92 A N 2.064 125.016 122.820 0.221 0.000 2.566 92 A HA 0.749 5.070 4.320 0.001 0.000 0.292 92 A C -0.208 177.422 177.584 0.076 0.000 1.112 92 A CA -0.502 51.644 52.037 0.181 0.000 0.707 92 A CB 1.786 20.871 19.000 0.142 0.000 1.302 92 A HN 0.624 nan 8.150 nan 0.000 0.409 93 S N -0.200 115.506 115.700 0.010 0.000 2.580 93 S HA 0.137 4.608 4.470 0.001 0.000 0.266 93 S C 0.623 175.190 174.600 -0.054 0.000 1.354 93 S CA 0.711 58.900 58.200 -0.018 0.000 1.008 93 S CB 0.214 63.400 63.200 -0.024 0.000 0.898 93 S HN 0.689 nan 8.310 nan 0.000 0.555 94 E N 0.994 121.177 120.200 -0.029 0.000 2.085 94 E HA -0.168 4.183 4.350 0.001 0.000 0.194 94 E C 2.310 178.860 176.600 -0.084 0.000 0.994 94 E CA 1.273 57.651 56.400 -0.037 0.000 0.801 94 E CB -0.177 29.516 29.700 -0.011 0.000 0.743 94 E HN 0.604 nan 8.360 nan 0.000 0.453 95 R N 0.214 120.661 120.500 -0.088 0.000 2.115 95 R HA -0.022 4.319 4.340 0.001 0.000 0.226 95 R C 2.358 178.521 176.300 -0.230 0.000 1.100 95 R CA 1.372 57.395 56.100 -0.129 0.000 0.980 95 R CB -0.164 30.069 30.300 -0.112 0.000 0.875 95 R HN 0.118 nan 8.270 nan 0.000 0.445 96 T N 0.452 114.832 114.554 -0.290 0.000 2.737 96 T HA -0.166 4.185 4.350 0.001 0.000 0.265 96 T C 2.090 176.236 174.700 -0.922 0.000 1.038 96 T CA 1.332 63.107 62.100 -0.541 0.000 1.144 96 T CB -0.358 68.237 68.868 -0.455 0.000 0.866 96 T HN 0.338 nan 8.240 nan 0.000 0.434 97 C N 1.508 120.424 119.300 -0.641 0.000 2.398 97 C HA -0.160 4.301 4.460 0.001 0.000 0.276 97 C C 2.900 177.743 174.990 -0.246 0.000 1.222 97 C CA 0.802 59.577 59.018 -0.406 0.000 1.746 97 C CB -1.331 26.356 27.740 -0.089 0.000 2.039 97 C HN 0.607 nan 8.230 nan 0.000 0.470 98 Q N 0.608 120.289 119.800 -0.197 0.000 2.135 98 Q HA -0.164 4.177 4.340 0.001 0.000 0.204 98 Q C 2.449 178.368 176.000 -0.134 0.000 0.981 98 Q CA 1.860 57.594 55.803 -0.115 0.000 0.856 98 Q CB -0.333 28.349 28.738 -0.094 0.000 0.902 98 Q HN 0.782 nan 8.270 nan 0.000 0.425 99 A N 0.044 122.703 122.820 -0.269 0.000 1.969 99 A HA -0.154 4.167 4.320 0.001 0.000 0.218 99 A C 1.316 178.837 177.584 -0.104 0.000 1.169 99 A CA 0.931 52.833 52.037 -0.226 0.000 0.635 99 A CB -0.643 18.170 19.000 -0.313 0.000 0.810 99 A HN 0.493 nan 8.150 nan 0.000 0.445 100 W N 0.201 121.491 121.300 -0.016 0.000 2.678 100 W HA 0.095 4.756 4.660 0.001 0.000 0.256 100 W C 0.937 177.484 176.519 0.045 0.000 1.280 100 W CA 0.658 58.013 57.345 0.017 0.000 1.345 100 W CB -0.268 29.297 29.460 0.174 0.000 1.118 100 W HN 0.221 nan 8.180 nan 0.000 0.629 101 K N 0.269 120.783 120.400 0.190 0.000 2.417 101 K HA 0.063 4.383 4.320 0.001 0.000 0.196 101 K C 0.518 177.158 176.600 0.066 0.000 1.023 101 K CA 0.158 56.520 56.287 0.126 0.000 1.122 101 K CB 0.423 32.975 32.500 0.087 0.000 0.850 101 K HN -0.146 nan 8.250 nan 0.000 0.521 102 S N 1.130 116.852 115.700 0.037 0.000 2.433 102 S HA 0.135 4.606 4.470 0.001 0.000 0.310 102 S C 1.010 175.608 174.600 -0.004 0.000 1.097 102 S CA -0.564 57.640 58.200 0.006 0.000 1.103 102 S CB 1.647 64.836 63.200 -0.019 0.000 0.992 102 S HN 0.212 nan 8.310 nan 0.000 0.469 103 E N 3.297 123.500 120.200 0.005 0.000 2.077 103 E HA -0.111 4.240 4.350 0.001 0.000 0.193 103 E C 1.686 178.275 176.600 -0.018 0.000 0.989 103 E CA 1.110 57.513 56.400 0.004 0.000 0.800 103 E CB -0.124 29.584 29.700 0.014 0.000 0.746 103 E HN 0.701 nan 8.360 nan 0.000 0.452 104 S N -0.317 115.372 115.700 -0.018 0.000 2.355 104 S HA -0.121 4.350 4.470 0.001 0.000 0.222 104 S C 1.982 176.559 174.600 -0.038 0.000 1.031 104 S CA 1.194 59.380 58.200 -0.023 0.000 0.993 104 S CB -0.192 62.998 63.200 -0.017 0.000 0.859 104 S HN 0.411 nan 8.310 nan 0.000 0.453 105 A N 0.937 123.729 122.820 -0.046 0.000 1.865 105 A HA -0.054 4.267 4.320 0.001 0.000 0.217 105 A C 2.322 179.833 177.584 -0.122 0.000 1.191 105 A CA 1.896 53.898 52.037 -0.059 0.000 0.623 105 A CB -1.289 17.677 19.000 -0.056 0.000 0.826 105 A HN 0.415 nan 8.150 nan 0.000 0.444 106 V N -0.034 119.765 119.914 -0.192 0.000 2.380 106 V HA -0.318 3.803 4.120 0.001 0.000 0.251 106 V C 2.682 178.620 176.094 -0.260 0.000 1.063 106 V CA 2.493 64.542 62.300 -0.418 0.000 1.055 106 V CB -0.784 30.797 31.823 -0.402 0.000 0.657 106 V HN 0.607 nan 8.190 nan 0.000 0.455 107 R N -0.612 119.820 120.500 -0.114 0.000 2.081 107 R HA -0.140 4.201 4.340 0.001 0.000 0.235 107 R C 2.192 178.471 176.300 -0.036 0.000 1.131 107 R CA 1.680 57.753 56.100 -0.044 0.000 0.960 107 R CB -0.276 30.010 30.300 -0.024 0.000 0.856 107 R HN 0.440 nan 8.270 nan 0.000 0.436 108 V N 0.008 119.894 119.914 -0.047 0.000 2.295 108 V HA -0.224 3.896 4.120 0.001 0.000 0.246 108 V C 2.335 178.421 176.094 -0.013 0.000 1.049 108 V CA 1.590 63.871 62.300 -0.032 0.000 1.024 108 V CB -0.305 31.506 31.823 -0.021 0.000 0.648 108 V HN 0.167 nan 8.190 nan 0.000 0.447 109 V N -0.064 119.841 119.914 -0.015 0.000 2.282 109 V HA -0.325 3.796 4.120 0.001 0.000 0.249 109 V C 2.445 178.614 176.094 0.125 0.000 1.057 109 V CA 2.327 64.665 62.300 0.063 0.000 1.032 109 V CB -0.642 31.099 31.823 -0.136 0.000 0.645 109 V HN 0.628 nan 8.190 nan 0.000 0.447 110 E N -0.346 119.905 120.200 0.086 0.000 2.028 110 E HA -0.231 4.120 4.350 0.001 0.000 0.191 110 E C 2.456 179.118 176.600 0.103 0.000 0.988 110 E CA 1.207 57.706 56.400 0.164 0.000 0.799 110 E CB -0.240 29.564 29.700 0.173 0.000 0.755 110 E HN 0.458 nan 8.360 nan 0.000 0.447 111 R N 1.031 121.556 120.500 0.041 0.000 2.096 111 R HA -0.174 4.167 4.340 0.001 0.000 0.240 111 R C 2.342 178.619 176.300 -0.038 0.000 1.139 111 R CA 1.234 57.336 56.100 0.002 0.000 0.952 111 R CB -0.245 30.041 30.300 -0.023 0.000 0.854 111 R HN 0.160 nan 8.270 nan 0.000 0.436 112 L N 0.581 121.746 121.223 -0.097 0.000 2.056 112 L HA -0.153 4.188 4.340 0.001 0.000 0.207 112 L C 2.227 179.034 176.870 -0.105 0.000 1.078 112 L CA 1.047 55.724 54.840 -0.272 0.000 0.749 112 L CB -0.528 41.110 42.059 -0.702 0.000 0.901 112 L HN 0.329 nan 8.230 nan 0.000 0.433 113 N N 0.201 118.962 118.700 0.101 0.000 2.188 113 N HA -0.189 4.551 4.740 0.001 0.000 0.184 113 N C 1.931 177.517 175.510 0.127 0.000 1.018 113 N CA 0.983 54.163 53.050 0.217 0.000 0.858 113 N CB -0.091 38.576 38.487 0.299 0.000 0.989 113 N HN 0.327 nan 8.380 nan 0.000 0.426 114 R N 1.382 121.936 120.500 0.090 0.000 2.148 114 R HA -0.016 4.325 4.340 0.001 0.000 0.223 114 R C 1.685 178.008 176.300 0.039 0.000 1.088 114 R CA 0.976 57.113 56.100 0.063 0.000 0.985 114 R CB 0.034 30.371 30.300 0.063 0.000 0.880 114 R HN 0.249 nan 8.270 nan 0.000 0.451 115 Q N 0.221 120.034 119.800 0.020 0.000 2.291 115 Q HA -0.064 4.276 4.340 0.001 0.000 0.205 115 Q C 1.762 177.783 176.000 0.035 0.000 0.970 115 Q CA 0.942 56.751 55.803 0.010 0.000 0.876 115 Q CB 0.126 28.848 28.738 -0.027 0.000 0.935 115 Q HN 0.414 nan 8.270 nan 0.000 0.455 116 L N 0.284 121.548 121.223 0.068 0.000 2.558 116 L HA 0.030 4.371 4.340 0.001 0.000 0.225 116 L C 0.144 177.059 176.870 0.075 0.000 1.128 116 L CA -0.339 54.562 54.840 0.101 0.000 0.868 116 L CB 0.034 42.198 42.059 0.175 0.000 1.006 116 L HN 0.189 nan 8.230 nan 0.000 0.454 117 L N 0.686 121.940 121.223 0.051 0.000 2.485 117 L HA 0.011 4.352 4.340 0.001 0.000 0.275 117 L C 0.797 177.684 176.870 0.029 0.000 1.207 117 L CA 0.605 55.463 54.840 0.030 0.000 0.855 117 L CB -0.005 42.065 42.059 0.017 0.000 1.114 117 L HN 0.047 nan 8.230 nan 0.000 0.485 118 R N 1.619 122.133 120.500 0.023 0.000 2.726 118 R HA 0.336 4.677 4.340 0.001 0.000 0.272 118 R C 1.308 177.617 176.300 0.015 0.000 1.097 118 R CA 0.475 56.588 56.100 0.022 0.000 1.198 118 R CB 0.083 30.396 30.300 0.020 0.000 1.114 118 R HN 0.773 nan 8.270 nan 0.000 0.550 119 A N 1.447 124.276 122.820 0.014 0.000 1.894 119 A HA -0.216 4.105 4.320 0.001 0.000 0.220 119 A C 0.614 178.202 177.584 0.008 0.000 1.237 119 A CA 1.871 53.914 52.037 0.011 0.000 0.660 119 A CB -0.326 18.680 19.000 0.010 0.000 0.835 119 A HN 0.609 nan 8.150 nan 0.000 0.461 120 E N -0.341 119.862 120.200 0.006 0.000 2.989 120 E HA 0.143 4.494 4.350 0.001 0.000 0.207 120 E C -0.194 176.405 176.600 -0.001 0.000 0.989 120 E CA -0.129 56.273 56.400 0.003 0.000 1.186 120 E CB 0.134 29.836 29.700 0.003 0.000 1.141 120 E HN 0.905 nan 8.360 nan 0.000 0.454 121 Q N -0.887 118.912 119.800 -0.002 0.000 2.266 121 Q HA 0.742 5.083 4.340 0.001 0.000 0.261 121 Q C -0.259 175.730 176.000 -0.018 0.000 0.985 121 Q CA -0.806 54.991 55.803 -0.011 0.000 0.873 121 Q CB 1.376 30.108 28.738 -0.011 0.000 1.306 121 Q HN 0.051 nan 8.270 nan 0.000 0.447 122 R N 2.381 122.864 120.500 -0.027 0.000 2.637 122 R HA 0.607 4.948 4.340 0.001 0.000 0.291 122 R C -0.972 175.288 176.300 -0.067 0.000 0.963 122 R CA -0.717 55.363 56.100 -0.033 0.000 0.901 122 R CB 0.842 31.129 30.300 -0.022 0.000 1.160 122 R HN 0.746 nan 8.270 nan 0.000 0.457 123 L N 3.168 124.340 121.223 -0.084 0.000 2.395 123 L HA 0.453 4.794 4.340 0.001 0.000 0.269 123 L C -1.492 175.333 176.870 -0.076 0.000 1.133 123 L CA -1.677 53.057 54.840 -0.176 0.000 0.812 123 L CB 1.300 43.210 42.059 -0.248 0.000 1.125 123 L HN 0.622 nan 8.230 nan 0.000 0.452 124 P HA 0.046 nan 4.420 nan 0.000 0.285 124 P C -0.907 176.467 177.300 0.122 0.000 1.282 124 P CA -0.498 62.612 63.100 0.017 0.000 0.778 124 P CB 0.302 32.006 31.700 0.006 0.000 1.222 125 E N -0.499 119.731 120.200 0.050 0.000 2.290 125 E HA 0.386 4.736 4.350 0.001 0.000 0.277 125 E C -0.066 176.518 176.600 -0.027 0.000 1.035 125 E CA -0.075 56.333 56.400 0.013 0.000 0.873 125 E CB 0.393 30.069 29.700 -0.039 0.000 1.029 125 E HN 0.427 nan 8.360 nan 0.000 0.419 126 A N 2.422 125.171 122.820 -0.118 0.000 2.279 126 A HA 0.458 4.779 4.320 0.001 0.000 0.303 126 A C 0.468 177.848 177.584 -0.339 0.000 1.108 126 A CA -0.694 51.080 52.037 -0.438 0.000 0.830 126 A CB 0.502 19.136 19.000 -0.611 0.000 1.106 126 A HN 0.847 nan 8.150 nan 0.000 0.493 127 C N -0.242 118.800 119.300 -0.429 0.000 2.352 127 C HA 0.878 5.339 4.460 0.001 0.000 0.387 127 C C 0.861 175.633 174.990 -0.363 0.000 1.294 127 C CA -0.355 58.473 59.018 -0.316 0.000 2.137 127 C CB 0.293 27.871 27.740 -0.271 0.000 2.146 127 C HN 1.449 nan 8.230 nan 0.000 0.559 128 A N -0.047 122.639 122.820 -0.224 0.000 2.425 128 A HA 0.352 4.672 4.320 0.001 0.000 0.249 128 A C 0.425 177.897 177.584 -0.185 0.000 1.084 128 A CA -0.349 51.602 52.037 -0.143 0.000 0.781 128 A CB -0.224 18.755 19.000 -0.036 0.000 1.019 128 A HN 1.028 nan 8.150 nan 0.000 0.490 129 W N 0.448 121.678 121.300 -0.117 0.000 2.350 129 W HA -0.169 4.492 4.660 0.001 0.000 0.289 129 W C 1.487 177.985 176.519 -0.036 0.000 1.215 129 W CA 1.551 58.820 57.345 -0.127 0.000 1.236 129 W CB 0.014 29.443 29.460 -0.050 0.000 1.130 129 W HN 0.898 nan 8.180 nan 0.000 0.541 130 D N -1.097 119.429 120.400 0.210 0.000 2.340 130 D HA 0.036 4.677 4.640 0.001 0.000 0.220 130 D C 1.399 177.750 176.300 0.085 0.000 1.039 130 D CA 0.890 54.989 54.000 0.164 0.000 0.866 130 D CB -0.634 40.246 40.800 0.135 0.000 0.913 130 D HN 0.060 nan 8.370 nan 0.000 0.523 131 A N 0.200 123.032 122.820 0.018 0.000 2.503 131 A HA 0.331 4.652 4.320 0.001 0.000 0.263 131 A C 0.633 178.185 177.584 -0.053 0.000 1.258 131 A CA -0.504 51.523 52.037 -0.017 0.000 0.936 131 A CB -0.311 18.663 19.000 -0.043 0.000 1.070 131 A HN 0.187 nan 8.150 nan 0.000 0.522 132 L N 1.348 122.528 121.223 -0.071 0.000 2.461 132 L HA 0.211 4.552 4.340 0.001 0.000 0.272 132 L C -1.802 175.053 176.870 -0.025 0.000 1.197 132 L CA -1.368 53.398 54.840 -0.123 0.000 0.836 132 L CB 0.374 42.287 42.059 -0.244 0.000 1.105 132 L HN 0.159 nan 8.230 nan 0.000 0.477 133 P HA 0.182 nan 4.420 nan 0.000 0.256 133 P C -0.812 176.534 177.300 0.077 0.000 1.689 133 P CA -0.045 63.074 63.100 0.031 0.000 1.124 133 P CB 0.623 32.339 31.700 0.026 0.000 1.766 134 V N 4.348 124.330 119.914 0.112 0.000 2.667 134 V HA 0.500 4.620 4.120 0.001 0.000 0.308 134 V C 0.505 176.692 176.094 0.155 0.000 1.048 134 V CA -0.763 61.642 62.300 0.174 0.000 0.928 134 V CB 2.490 34.475 31.823 0.270 0.000 1.004 134 V HN 0.390 nan 8.190 nan 0.000 0.444 135 R N 2.450 123.049 120.500 0.165 0.000 2.513 135 R HA 0.724 5.064 4.340 0.001 0.000 0.301 135 R C -0.412 175.967 176.300 0.132 0.000 0.968 135 R CA -0.455 55.727 56.100 0.136 0.000 0.872 135 R CB 1.663 32.047 30.300 0.139 0.000 1.177 135 R HN 0.876 nan 8.270 nan 0.000 0.444 136 A N 3.767 126.646 122.820 0.100 0.000 2.440 136 A HA 0.416 4.737 4.320 0.001 0.000 0.251 136 A C 0.063 177.692 177.584 0.074 0.000 1.089 136 A CA -0.429 51.653 52.037 0.075 0.000 0.779 136 A CB 0.493 19.520 19.000 0.046 0.000 1.022 136 A HN 0.561 nan 8.150 nan 0.000 0.492 137 V N -0.855 119.104 119.914 0.074 0.000 3.019 137 V HA 0.968 5.089 4.120 0.001 0.000 0.317 137 V C 0.137 176.252 176.094 0.035 0.000 1.094 137 V CA -0.405 61.936 62.300 0.069 0.000 1.000 137 V CB 1.347 33.237 31.823 0.111 0.000 1.060 137 V HN 1.637 nan 8.190 nan 0.000 0.443 138 A N 1.045 123.874 122.820 0.015 0.000 2.380 138 A HA 0.683 5.004 4.320 0.001 0.000 0.315 138 A C -0.545 177.008 177.584 -0.052 0.000 1.101 138 A CA -0.546 51.482 52.037 -0.013 0.000 0.771 138 A CB 1.310 20.308 19.000 -0.004 0.000 1.287 138 A HN 1.050 nan 8.150 nan 0.000 0.436 139 D N 0.611 120.965 120.400 -0.077 0.000 2.531 139 D HA 0.346 4.987 4.640 0.001 0.000 0.239 139 D C 1.452 177.681 176.300 -0.119 0.000 1.144 139 D CA 2.366 56.294 54.000 -0.121 0.000 0.869 139 D CB 0.280 41.003 40.800 -0.128 0.000 1.160 139 D HN 1.477 nan 8.370 nan 0.000 0.484 140 G N 3.127 111.821 108.800 -0.176 0.000 2.199 140 G HA2 -0.320 3.641 3.960 0.001 0.000 0.254 140 G HA3 -0.320 3.641 3.960 0.001 0.000 0.254 140 G C 0.373 175.121 174.900 -0.254 0.000 0.982 140 G CA 0.402 45.379 45.100 -0.205 0.000 0.632 140 G HN 0.695 nan 8.290 nan 0.000 0.529 141 E N -0.215 119.878 120.200 -0.179 0.000 2.360 141 E HA 0.361 4.712 4.350 0.001 0.000 0.269 141 E C -0.385 176.110 176.600 -0.175 0.000 1.022 141 E CA -0.850 55.494 56.400 -0.093 0.000 0.887 141 E CB 0.268 29.962 29.700 -0.011 0.000 0.990 141 E HN 0.338 nan 8.360 nan 0.000 0.426 142 W N 5.224 126.544 121.300 0.035 0.000 2.335 142 W HA 0.313 4.974 4.660 0.001 0.000 0.307 142 W C -0.676 175.847 176.519 0.008 0.000 1.117 142 W CA -0.659 56.703 57.345 0.028 0.000 1.228 142 W CB 0.797 30.268 29.460 0.017 0.000 1.240 142 W HN 0.367 nan 8.180 nan 0.000 0.468 143 L N 3.852 125.196 121.223 0.202 0.000 2.259 143 L HA 0.301 4.642 4.340 0.001 0.000 0.288 143 L C 0.046 176.953 176.870 0.062 0.000 1.051 143 L CA -0.733 54.140 54.840 0.056 0.000 0.824 143 L CB 0.616 42.642 42.059 -0.056 0.000 1.206 143 L HN 0.343 nan 8.230 nan 0.000 0.429 144 E N 3.414 123.640 120.200 0.044 0.000 2.003 144 E HA 0.151 4.502 4.350 0.001 0.000 0.279 144 E C 0.547 177.129 176.600 -0.030 0.000 1.132 144 E CA 0.042 56.460 56.400 0.029 0.000 0.888 144 E CB 0.665 30.386 29.700 0.035 0.000 1.056 144 E HN 0.576 nan 8.360 nan 0.000 0.399 145 L N 2.176 123.381 121.223 -0.031 0.000 2.616 145 L HA 0.387 4.728 4.340 0.001 0.000 0.229 145 L C 0.938 177.857 176.870 0.081 0.000 1.110 145 L CA -0.013 54.790 54.840 -0.063 0.000 0.884 145 L CB 0.099 42.074 42.059 -0.140 0.000 1.115 145 L HN 0.628 nan 8.230 nan 0.000 0.481 146 G N -0.708 108.142 108.800 0.083 0.000 2.359 146 G HA2 0.039 4.000 3.960 0.001 0.000 0.293 146 G HA3 0.039 4.000 3.960 0.001 0.000 0.293 146 G C -2.600 172.333 174.900 0.056 0.000 1.300 146 G CA -0.625 44.525 45.100 0.083 0.000 0.888 146 G HN -0.271 nan 8.290 nan 0.000 0.541 147 P HA 0.028 nan 4.420 nan 0.000 0.217 147 P C 1.551 178.819 177.300 -0.054 0.000 1.150 147 P CA 0.944 64.035 63.100 -0.015 0.000 0.832 147 P CB 0.141 31.827 31.700 -0.023 0.000 0.787 148 R N -1.841 118.616 120.500 -0.072 0.000 2.334 148 R HA 0.144 4.485 4.340 0.001 0.000 0.216 148 R C -0.162 175.817 176.300 -0.535 0.000 0.905 148 R CA 0.242 56.174 56.100 -0.279 0.000 1.064 148 R CB -0.092 29.998 30.300 -0.350 0.000 1.046 148 R HN 0.422 nan 8.270 nan 0.000 0.508 149 H N -0.342 118.712 119.070 -0.027 0.000 3.018 149 H HA 0.367 4.924 4.556 0.001 0.000 0.334 149 H C -0.962 174.368 175.328 0.004 0.000 0.983 149 H CA -0.523 55.518 56.048 -0.011 0.000 1.363 149 H CB 1.665 31.423 29.762 -0.008 0.000 1.668 149 H HN -0.218 nan 8.280 nan 0.000 0.513 150 R N 3.246 123.817 120.500 0.119 0.000 2.388 150 R HA 0.386 4.727 4.340 0.001 0.000 0.314 150 R C -1.273 175.203 176.300 0.294 0.000 0.959 150 R CA -0.651 55.560 56.100 0.185 0.000 0.851 150 R CB 0.851 31.205 30.300 0.090 0.000 1.168 150 R HN 0.453 nan 8.270 nan 0.000 0.472 151 L N 3.504 124.881 121.223 0.257 0.000 2.282 151 L HA 0.406 4.746 4.340 0.001 0.000 0.288 151 L C -0.004 176.931 176.870 0.108 0.000 1.033 151 L CA -0.431 54.521 54.840 0.188 0.000 0.807 151 L CB 1.640 43.780 42.059 0.134 0.000 1.209 151 L HN 0.597 nan 8.230 nan 0.000 0.423 152 Q N 1.839 121.543 119.800 -0.159 0.000 2.241 152 Q HA 0.410 4.750 4.340 0.001 0.000 0.254 152 Q C -1.074 174.808 176.000 -0.197 0.000 0.917 152 Q CA -0.591 54.855 55.803 -0.594 0.000 0.919 152 Q CB 2.079 30.079 28.738 -1.229 0.000 1.237 152 Q HN 0.450 nan 8.270 nan 0.000 0.434 153 V N 6.117 125.914 119.914 -0.195 0.000 2.432 153 V HA 0.309 4.430 4.120 0.001 0.000 0.271 153 V C -0.042 175.906 176.094 -0.244 0.000 1.046 153 V CA -0.107 62.101 62.300 -0.152 0.000 0.945 153 V CB 0.692 32.478 31.823 -0.061 0.000 0.992 153 V HN 0.661 nan 8.190 nan 0.000 0.471 154 I N 3.913 124.319 120.570 -0.274 0.000 2.447 154 I HA 0.367 4.538 4.170 0.001 0.000 0.287 154 I C 0.164 176.126 176.117 -0.258 0.000 1.023 154 I CA -0.496 60.655 61.300 -0.248 0.000 1.083 154 I CB 2.014 39.878 38.000 -0.227 0.000 1.245 154 I HN 0.612 nan 8.210 nan 0.000 0.434 155 E N 5.062 125.111 120.200 -0.252 0.000 2.384 155 E HA 0.427 4.777 4.350 0.001 0.000 0.266 155 E C -0.263 176.167 176.600 -0.284 0.000 1.012 155 E CA -0.113 56.105 56.400 -0.303 0.000 0.901 155 E CB 0.860 30.321 29.700 -0.399 0.000 0.967 155 E HN 0.730 nan 8.360 nan 0.000 0.435 156 A N 5.361 128.062 122.820 -0.197 0.000 3.453 156 A HA 0.193 4.514 4.320 0.001 0.000 0.262 156 A C -1.066 176.509 177.584 -0.015 0.000 1.026 156 A CA -0.505 51.448 52.037 -0.141 0.000 0.938 156 A CB -0.080 18.839 19.000 -0.135 0.000 1.246 156 A HN 0.808 nan 8.150 nan 0.000 0.546 157 H N -0.729 118.298 119.070 -0.072 0.000 2.671 157 H HA 0.464 5.021 4.556 0.001 0.000 0.372 157 H C 1.483 176.795 175.328 -0.027 0.000 1.227 157 H CA 0.874 56.902 56.048 -0.034 0.000 1.426 157 H CB 0.971 30.720 29.762 -0.022 0.000 1.480 157 H HN 0.834 nan 8.280 nan 0.000 0.611 158 G N 0.114 109.007 108.800 0.156 0.000 3.031 158 G HA2 -0.318 3.643 3.960 0.001 0.000 0.198 158 G HA3 -0.318 3.643 3.960 0.001 0.000 0.198 158 G C 0.934 175.955 174.900 0.200 0.000 1.242 158 G CA 0.454 45.665 45.100 0.184 0.000 0.878 158 G HN 0.706 nan 8.290 nan 0.000 0.493 159 H N 2.123 121.266 119.070 0.121 0.000 2.319 159 H HA 0.281 4.838 4.556 0.001 0.000 0.299 159 H C 1.623 177.004 175.328 0.089 0.000 1.092 159 H CA 3.005 59.062 56.048 0.016 0.000 1.302 159 H CB -0.032 29.610 29.762 -0.200 0.000 1.373 159 H HN 0.851 nan 8.280 nan 0.000 0.497 160 S N -0.967 114.732 115.700 -0.002 0.000 2.661 160 S HA 0.180 4.651 4.470 0.001 0.000 0.285 160 S C -0.039 174.524 174.600 -0.060 0.000 1.138 160 S CA -0.321 57.865 58.200 -0.024 0.000 0.855 160 S CB 1.718 64.856 63.200 -0.103 0.000 1.136 160 S HN 0.432 nan 8.310 nan 0.000 0.484 161 D N -0.368 119.951 120.400 -0.136 0.000 2.349 161 D HA 0.013 4.654 4.640 0.001 0.000 0.224 161 D C 0.622 176.510 176.300 -0.687 0.000 1.029 161 D CA 0.514 54.303 54.000 -0.353 0.000 0.879 161 D CB -0.208 40.458 40.800 -0.222 0.000 0.906 161 D HN 0.678 nan 8.370 nan 0.000 0.528 162 D N -1.411 118.782 120.400 -0.345 0.000 2.500 162 D HA -0.035 4.605 4.640 0.001 0.000 0.218 162 D C 0.045 176.374 176.300 0.048 0.000 1.140 162 D CA -0.476 53.410 54.000 -0.190 0.000 0.830 162 D CB -1.059 39.657 40.800 -0.140 0.000 1.055 162 D HN 0.262 nan 8.370 nan 0.000 0.512 163 H N 1.142 120.221 119.070 0.014 0.000 3.004 163 H HA 0.288 4.844 4.556 0.002 0.000 0.316 163 H C 0.049 175.353 175.328 -0.041 0.000 1.014 163 H CA 0.177 56.201 56.048 -0.041 0.000 1.454 163 H CB 0.837 30.495 29.762 -0.172 0.000 1.472 163 H HN 0.006 nan 8.280 nan 0.000 0.571 164 V N 3.441 123.229 119.914 -0.210 0.000 3.074 164 V HA 0.738 4.859 4.120 0.001 0.000 0.314 164 V C -0.464 175.357 176.094 -0.455 0.000 1.117 164 V CA -0.492 61.632 62.300 -0.293 0.000 1.014 164 V CB 1.599 33.194 31.823 -0.381 0.000 1.057 164 V HN 0.677 nan 8.190 nan 0.000 0.438 165 V N -0.256 119.374 119.914 -0.475 0.000 3.046 165 V HA 0.793 4.913 4.120 0.001 0.000 0.316 165 V C -1.052 174.683 176.094 -0.598 0.000 1.104 165 V CA -0.869 61.178 62.300 -0.421 0.000 1.006 165 V CB 1.965 33.703 31.823 -0.142 0.000 1.058 165 V HN 0.844 nan 8.190 nan 0.000 0.440 166 F N 2.195 122.224 119.950 0.133 0.000 2.460 166 F HA 0.568 5.096 4.527 0.001 0.000 0.341 166 F C -0.842 175.119 175.800 0.268 0.000 1.130 166 F CA -0.545 57.544 58.000 0.149 0.000 0.962 166 F CB 1.790 40.860 39.000 0.117 0.000 1.171 166 F HN 0.699 nan 8.300 nan 0.000 0.436 167 Y N 3.716 124.117 120.300 0.168 0.000 2.417 167 Y HA 0.336 4.886 4.550 0.001 0.000 0.336 167 Y C -0.543 175.454 175.900 0.161 0.000 0.961 167 Y CA -1.687 56.474 58.100 0.100 0.000 1.215 167 Y CB 0.623 39.069 38.460 -0.024 0.000 1.120 167 Y HN 0.492 nan 8.280 nan 0.000 0.499 168 D N 5.694 126.028 120.400 -0.111 0.000 2.453 168 D HA 0.030 4.671 4.640 0.001 0.000 0.223 168 D C 0.984 177.001 176.300 -0.472 0.000 1.183 168 D CA 0.264 54.178 54.000 -0.144 0.000 0.933 168 D CB 1.032 41.891 40.800 0.098 0.000 1.038 168 D HN 0.576 nan 8.370 nan 0.000 0.513 169 V N 5.775 125.340 119.914 -0.582 0.000 2.392 169 V HA -0.245 3.876 4.120 0.001 0.000 0.249 169 V C 2.235 178.210 176.094 -0.200 0.000 1.059 169 V CA 1.724 63.723 62.300 -0.501 0.000 1.051 169 V CB -0.166 31.607 31.823 -0.083 0.000 0.658 169 V HN 0.535 nan 8.190 nan 0.000 0.455 170 R N -0.074 120.342 120.500 -0.139 0.000 2.096 170 R HA -0.054 4.286 4.340 0.001 0.000 0.235 170 R C 2.116 178.356 176.300 -0.099 0.000 1.127 170 R CA 1.325 57.356 56.100 -0.114 0.000 0.968 170 R CB -0.415 29.802 30.300 -0.140 0.000 0.861 170 R HN 0.502 nan 8.270 nan 0.000 0.440 171 R N 0.768 121.210 120.500 -0.096 0.000 2.334 171 R HA 0.151 4.492 4.340 0.001 0.000 0.216 171 R C -0.204 176.068 176.300 -0.046 0.000 0.905 171 R CA -0.279 55.782 56.100 -0.066 0.000 1.064 171 R CB 0.362 30.635 30.300 -0.044 0.000 1.046 171 R HN 0.026 nan 8.270 nan 0.000 0.508 172 R N 1.393 121.868 120.500 -0.042 0.000 3.188 172 R HA -0.191 4.150 4.340 0.001 0.000 0.247 172 R C -0.397 175.934 176.300 0.052 0.000 0.918 172 R CA 0.660 56.795 56.100 0.058 0.000 0.629 172 R CB -1.993 28.342 30.300 0.059 0.000 1.087 172 R HN 0.400 nan 8.270 nan 0.000 0.462 173 R N 0.704 121.219 120.500 0.025 0.000 2.538 173 R HA 0.514 4.854 4.340 0.001 0.000 0.292 173 R C -1.305 174.993 176.300 -0.004 0.000 1.008 173 R CA -0.907 55.154 56.100 -0.066 0.000 0.896 173 R CB 1.221 31.432 30.300 -0.148 0.000 1.187 173 R HN 0.103 nan 8.270 nan 0.000 0.440 174 L N 5.004 126.178 121.223 -0.081 0.000 2.349 174 L HA 0.512 4.853 4.340 0.001 0.000 0.278 174 L C -1.583 175.165 176.870 -0.205 0.000 0.996 174 L CA -0.280 54.562 54.840 0.003 0.000 0.825 174 L CB 1.326 43.405 42.059 0.034 0.000 1.243 174 L HN 0.550 nan 8.230 nan 0.000 0.412 175 F N 4.763 124.758 119.950 0.075 0.000 2.405 175 F HA 0.222 4.750 4.527 0.002 0.000 0.358 175 F C 1.264 177.113 175.800 0.081 0.000 1.151 175 F CA -0.423 57.621 58.000 0.074 0.000 1.161 175 F CB 0.478 39.590 39.000 0.187 0.000 1.245 175 F HN 0.686 nan 8.300 nan 0.000 0.545 176 C N 1.061 120.449 119.300 0.146 0.000 2.855 176 C HA 0.637 5.098 4.460 0.001 0.000 0.279 176 C C 1.567 176.643 174.990 0.145 0.000 1.270 176 C CA -0.250 58.806 59.018 0.063 0.000 1.702 176 C CB -1.257 26.433 27.740 -0.083 0.000 1.949 176 C HN 1.095 nan 8.230 nan 0.000 0.618 177 G N 2.126 111.073 108.800 0.244 0.000 2.652 177 G HA2 -0.324 3.637 3.960 0.001 0.000 0.318 177 G HA3 -0.324 3.637 3.960 0.001 0.000 0.318 177 G C 0.203 175.209 174.900 0.177 0.000 1.295 177 G CA 1.221 46.490 45.100 0.282 0.000 0.999 177 G HN 0.465 nan 8.290 nan 0.000 0.548 178 D N 1.307 121.707 120.400 0.000 0.000 2.368 178 D HA 0.474 5.115 4.640 0.001 0.000 0.218 178 D C 2.140 178.061 176.300 -0.632 0.000 1.112 178 D CA 0.929 54.723 54.000 -0.342 0.000 0.834 178 D CB -0.041 40.321 40.800 -0.730 0.000 0.953 178 D HN 0.674 nan 8.370 nan 0.000 0.505 179 A N 0.069 122.461 122.820 -0.714 0.000 2.067 179 A HA -0.088 4.232 4.320 0.001 0.000 0.219 179 A C 1.704 178.902 177.584 -0.644 0.000 1.158 179 A CA 0.893 52.497 52.037 -0.721 0.000 0.661 179 A CB -0.079 18.529 19.000 -0.654 0.000 0.801 179 A HN 0.167 nan 8.150 nan 0.000 0.452 180 L N -1.807 119.102 121.223 -0.523 0.000 2.585 180 L HA 0.381 4.722 4.340 0.001 0.000 0.226 180 L C 1.320 178.054 176.870 -0.228 0.000 1.113 180 L CA 1.089 55.537 54.840 -0.653 0.000 0.876 180 L CB -0.431 40.853 42.059 -1.292 0.000 1.072 180 L HN 0.621 nan 8.230 nan 0.000 0.468 181 G N -0.079 108.741 108.800 0.034 0.000 2.512 181 G HA2 -0.212 3.749 3.960 0.001 0.000 0.210 181 G HA3 -0.212 3.749 3.960 0.001 0.000 0.210 181 G C -0.449 174.725 174.900 0.456 0.000 1.295 181 G CA -0.339 44.916 45.100 0.258 0.000 0.934 181 G HN 0.137 nan 8.290 nan 0.000 0.554 182 E N -0.444 119.980 120.200 0.373 0.000 2.133 182 E HA 0.552 4.903 4.350 0.001 0.000 0.274 182 E C -0.771 175.926 176.600 0.162 0.000 0.930 182 E CA -0.861 55.728 56.400 0.317 0.000 0.770 182 E CB 0.727 30.532 29.700 0.175 0.000 1.104 182 E HN 0.530 nan 8.360 nan 0.000 0.403 183 F N 4.375 124.281 119.950 -0.073 0.000 2.504 183 F HA 0.072 4.600 4.527 0.001 0.000 0.369 183 F C 0.317 175.947 175.800 -0.283 0.000 1.082 183 F CA -0.149 57.539 58.000 -0.520 0.000 1.216 183 F CB 0.689 39.281 39.000 -0.680 0.000 1.108 183 F HN 0.400 nan 8.300 nan 0.000 0.554 184 D N 5.624 125.477 120.400 -0.912 0.000 2.339 184 D HA 0.037 4.678 4.640 0.001 0.000 0.241 184 D C 0.476 176.415 176.300 -0.602 0.000 1.183 184 D CA 0.108 53.755 54.000 -0.589 0.000 0.859 184 D CB 0.840 41.339 40.800 -0.502 0.000 1.067 184 D HN 0.752 nan 8.370 nan 0.000 0.484 185 E N 2.059 122.117 120.200 -0.236 0.000 2.427 185 E HA -0.041 4.310 4.350 0.001 0.000 0.196 185 E C 1.502 178.061 176.600 -0.069 0.000 1.028 185 E CA 0.234 56.591 56.400 -0.072 0.000 0.864 185 E CB 0.373 30.109 29.700 0.060 0.000 0.813 185 E HN 0.551 nan 8.360 nan 0.000 0.514 186 A N 0.792 123.554 122.820 -0.096 0.000 2.030 186 A HA -0.044 4.277 4.320 0.001 0.000 0.215 186 A C 1.721 179.257 177.584 -0.081 0.000 1.164 186 A CA 0.759 52.762 52.037 -0.057 0.000 0.697 186 A CB 0.283 19.267 19.000 -0.027 0.000 0.827 186 A HN 0.006 nan 8.150 nan 0.000 0.457 187 E N -2.121 117.983 120.200 -0.160 0.000 2.541 187 E HA 0.205 4.556 4.350 0.001 0.000 0.219 187 E C 0.990 177.458 176.600 -0.220 0.000 0.922 187 E CA 0.647 56.959 56.400 -0.146 0.000 1.095 187 E CB 0.518 30.150 29.700 -0.112 0.000 1.112 187 E HN 0.714 nan 8.360 nan 0.000 0.516 188 G N 2.233 110.768 108.800 -0.442 0.000 2.143 188 G HA2 -0.278 3.682 3.960 0.001 0.000 0.248 188 G HA3 -0.278 3.682 3.960 0.001 0.000 0.248 188 G C 0.492 175.093 174.900 -0.499 0.000 0.991 188 G CA 0.671 45.478 45.100 -0.488 0.000 0.689 188 G HN 0.273 nan 8.290 nan 0.000 0.522 189 V N -4.117 115.441 119.914 -0.594 0.000 2.994 189 V HA 0.909 5.030 4.120 0.001 0.000 0.318 189 V C 0.284 176.026 176.094 -0.586 0.000 1.085 189 V CA -2.260 59.814 62.300 -0.377 0.000 0.998 189 V CB 1.228 32.972 31.823 -0.131 0.000 1.063 189 V HN 0.314 nan 8.190 nan 0.000 0.447 190 W N 1.329 122.572 121.300 -0.096 0.000 2.287 190 W HA 0.667 5.327 4.660 0.001 0.000 0.313 190 W C 0.570 176.974 176.519 -0.191 0.000 1.267 190 W CA -0.367 56.931 57.345 -0.077 0.000 1.201 190 W CB 0.676 30.154 29.460 0.031 0.000 1.196 190 W HN 0.475 nan 8.180 nan 0.000 0.536 191 R N 4.095 124.508 120.500 -0.144 0.000 2.207 191 R HA 0.294 4.635 4.340 0.001 0.000 0.334 191 R C -2.324 173.883 176.300 -0.155 0.000 1.013 191 R CA -1.861 53.932 56.100 -0.513 0.000 0.858 191 R CB 0.269 29.895 30.300 -1.123 0.000 1.094 191 R HN 0.056 nan 8.270 nan 0.000 0.457 192 P HA -0.044 nan 4.420 nan 0.000 0.266 192 P C -0.568 176.680 177.300 -0.086 0.000 1.195 192 P CA 0.275 63.378 63.100 0.005 0.000 0.768 192 P CB 0.570 32.248 31.700 -0.037 0.000 0.838 193 L N 2.951 124.058 121.223 -0.194 0.000 2.594 193 L HA 0.232 4.573 4.340 0.001 0.000 0.245 193 L C -0.626 175.726 176.870 -0.865 0.000 1.460 193 L CA -0.614 53.892 54.840 -0.557 0.000 0.865 193 L CB 0.958 42.944 42.059 -0.121 0.000 1.131 193 L HN 0.054 nan 8.230 nan 0.000 0.506 194 V N 0.926 120.294 119.914 -0.910 0.000 2.299 194 V HA 0.193 4.314 4.120 0.001 0.000 0.255 194 V C 0.542 176.420 176.094 -0.360 0.000 1.100 194 V CA 0.269 62.131 62.300 -0.729 0.000 0.938 194 V CB -0.085 31.320 31.823 -0.696 0.000 1.139 194 V HN 0.498 nan 8.190 nan 0.000 0.490 195 F N 1.062 120.939 119.950 -0.123 0.000 2.682 195 F HA 0.231 4.758 4.527 0.001 0.000 0.308 195 F C 1.477 177.235 175.800 -0.070 0.000 1.093 195 F CA -0.177 57.761 58.000 -0.104 0.000 1.244 195 F CB 0.652 39.576 39.000 -0.127 0.000 1.052 195 F HN 0.499 nan 8.300 nan 0.000 0.573 196 D N -0.692 119.745 120.400 0.061 0.000 3.208 196 D HA 0.024 4.665 4.640 0.001 0.000 0.281 196 D C -0.309 176.003 176.300 0.020 0.000 1.328 196 D CA 0.497 54.521 54.000 0.041 0.000 1.102 196 D CB 0.739 41.552 40.800 0.023 0.000 1.267 196 D HN -0.075 nan 8.370 nan 0.000 0.405 197 D N 0.362 120.771 120.400 0.016 0.000 2.891 197 D HA 0.056 4.697 4.640 0.001 0.000 0.224 197 D C 0.426 176.741 176.300 0.025 0.000 1.321 197 D CA -0.253 53.758 54.000 0.019 0.000 0.929 197 D CB 1.366 42.187 40.800 0.035 0.000 1.551 197 D HN 0.110 nan 8.370 nan 0.000 0.574 198 M N 2.969 122.562 119.600 -0.012 0.000 2.132 198 M HA -0.099 4.382 4.480 0.001 0.000 0.263 198 M C 1.308 177.632 176.300 0.040 0.000 1.065 198 M CA 1.514 56.800 55.300 -0.023 0.000 1.122 198 M CB 0.195 32.760 32.600 -0.059 0.000 1.365 198 M HN 0.441 nan 8.290 nan 0.000 0.411 199 E N 0.134 120.354 120.200 0.032 0.000 2.058 199 E HA -0.198 4.153 4.350 0.001 0.000 0.194 199 E C 1.933 178.568 176.600 0.058 0.000 0.997 199 E CA 1.442 57.865 56.400 0.039 0.000 0.801 199 E CB -0.177 29.541 29.700 0.029 0.000 0.746 199 E HN 0.627 nan 8.360 nan 0.000 0.450 200 A N 0.584 123.445 122.820 0.069 0.000 1.898 200 A HA -0.211 4.110 4.320 0.001 0.000 0.216 200 A C 2.009 179.640 177.584 0.078 0.000 1.181 200 A CA 1.305 53.386 52.037 0.073 0.000 0.620 200 A CB -0.803 18.259 19.000 0.102 0.000 0.819 200 A HN 0.392 nan 8.150 nan 0.000 0.442 201 Y N 0.524 120.798 120.300 -0.043 0.000 2.128 201 Y HA -0.222 4.329 4.550 0.001 0.000 0.284 201 Y C 2.036 177.889 175.900 -0.078 0.000 1.154 201 Y CA 2.139 60.191 58.100 -0.080 0.000 1.149 201 Y CB -0.245 38.155 38.460 -0.100 0.000 0.976 201 Y HN 0.232 nan 8.280 nan 0.000 0.505 202 L N -0.167 121.131 121.223 0.126 0.000 2.056 202 L HA -0.178 4.163 4.340 0.001 0.000 0.207 202 L C 2.613 179.558 176.870 0.125 0.000 1.078 202 L CA 1.609 56.485 54.840 0.061 0.000 0.749 202 L CB -0.658 41.385 42.059 -0.026 0.000 0.901 202 L HN 0.252 nan 8.230 nan 0.000 0.433 203 E N 0.246 120.486 120.200 0.066 0.000 2.110 203 E HA -0.183 4.168 4.350 0.001 0.000 0.193 203 E C 2.194 178.770 176.600 -0.039 0.000 0.988 203 E CA 1.479 57.895 56.400 0.028 0.000 0.804 203 E CB 0.143 29.849 29.700 0.008 0.000 0.745 203 E HN 0.388 nan 8.360 nan 0.000 0.458 204 S N 0.768 116.416 115.700 -0.088 0.000 2.368 204 S HA -0.097 4.374 4.470 0.001 0.000 0.225 204 S C 2.105 176.598 174.600 -0.179 0.000 1.030 204 S CA 0.885 58.989 58.200 -0.161 0.000 0.999 204 S CB -0.191 62.879 63.200 -0.217 0.000 0.844 204 S HN 0.265 nan 8.310 nan 0.000 0.459 205 L N 1.153 122.274 121.223 -0.170 0.000 2.141 205 L HA -0.100 4.240 4.340 0.001 0.000 0.209 205 L C 2.464 179.277 176.870 -0.096 0.000 1.094 205 L CA 1.053 55.807 54.840 -0.143 0.000 0.763 205 L CB -0.570 41.441 42.059 -0.079 0.000 0.908 205 L HN 0.323 nan 8.230 nan 0.000 0.437 206 E N 0.057 120.227 120.200 -0.050 0.000 2.038 206 E HA -0.252 4.099 4.350 0.001 0.000 0.195 206 E C 2.356 178.873 176.600 -0.140 0.000 1.000 206 E CA 1.301 57.620 56.400 -0.135 0.000 0.803 206 E CB -0.078 29.572 29.700 -0.084 0.000 0.750 206 E HN 0.365 nan 8.360 nan 0.000 0.448 207 R N 0.352 120.776 120.500 -0.127 0.000 2.073 207 R HA -0.106 4.235 4.340 0.001 0.000 0.234 207 R C 2.496 178.691 176.300 -0.174 0.000 1.134 207 R CA 1.090 57.105 56.100 -0.141 0.000 0.952 207 R CB -0.342 29.873 30.300 -0.142 0.000 0.850 207 R HN 0.192 nan 8.270 nan 0.000 0.433 208 L N 0.580 121.686 121.223 -0.194 0.000 2.191 208 L HA -0.203 4.137 4.340 0.001 0.000 0.212 208 L C 2.234 178.980 176.870 -0.206 0.000 1.103 208 L CA 1.290 55.996 54.840 -0.224 0.000 0.769 208 L CB -0.352 41.562 42.059 -0.241 0.000 0.908 208 L HN 0.267 nan 8.230 nan 0.000 0.438 209 Q N -0.291 119.401 119.800 -0.181 0.000 2.369 209 Q HA -0.116 4.225 4.340 0.001 0.000 0.206 209 Q C 1.975 177.888 176.000 -0.145 0.000 0.963 209 Q CA 0.778 56.485 55.803 -0.160 0.000 0.894 209 Q CB 0.049 28.685 28.738 -0.169 0.000 0.965 209 Q HN 0.430 nan 8.270 nan 0.000 0.475 210 R N -0.060 120.351 120.500 -0.149 0.000 2.313 210 R HA 0.099 4.440 4.340 0.001 0.000 0.199 210 R C 0.161 176.378 176.300 -0.138 0.000 0.958 210 R CA -0.048 55.977 56.100 -0.125 0.000 1.047 210 R CB 0.024 30.257 30.300 -0.111 0.000 0.955 210 R HN 0.160 nan 8.270 nan 0.000 0.481 211 L N 1.788 122.894 121.223 -0.195 0.000 2.473 211 L HA 0.122 4.463 4.340 0.001 0.000 0.268 211 L C -1.810 174.979 176.870 -0.135 0.000 1.215 211 L CA -1.862 52.830 54.840 -0.248 0.000 0.823 211 L CB -0.042 41.748 42.059 -0.449 0.000 1.099 211 L HN -0.159 nan 8.230 nan 0.000 0.483 212 P HA 0.008 nan 4.420 nan 0.000 0.267 212 P C -0.631 176.671 177.300 0.003 0.000 1.200 212 P CA -0.204 62.899 63.100 0.006 0.000 0.772 212 P CB 0.181 31.934 31.700 0.088 0.000 0.855 213 T N 3.112 117.667 114.554 0.002 0.000 2.849 213 T HA 0.011 4.361 4.350 0.001 0.000 0.289 213 T C 0.594 175.306 174.700 0.021 0.000 1.010 213 T CA 0.257 62.356 62.100 -0.001 0.000 1.161 213 T CB -0.350 68.519 68.868 0.001 0.000 0.989 213 T HN 0.169 nan 8.240 nan 0.000 0.523 214 L N 3.877 125.106 121.223 0.011 0.000 2.395 214 L HA 0.274 4.615 4.340 0.001 0.000 0.269 214 L C 1.502 178.379 176.870 0.011 0.000 1.133 214 L CA -0.485 54.372 54.840 0.028 0.000 0.812 214 L CB 0.599 42.662 42.059 0.007 0.000 1.125 214 L HN 0.645 nan 8.230 nan 0.000 0.452 215 L N 1.168 122.395 121.223 0.007 0.000 2.298 215 L HA 0.137 4.478 4.340 0.001 0.000 0.209 215 L C 0.353 177.201 176.870 -0.036 0.000 1.084 215 L CA 0.635 55.468 54.840 -0.012 0.000 0.816 215 L CB 0.162 42.213 42.059 -0.015 0.000 0.967 215 L HN 0.655 nan 8.230 nan 0.000 0.460 216 Q N 0.465 120.231 119.800 -0.057 0.000 2.305 216 Q HA 0.502 4.843 4.340 0.001 0.000 0.271 216 Q C -1.659 174.259 176.000 -0.136 0.000 1.046 216 Q CA -0.500 55.240 55.803 -0.106 0.000 0.798 216 Q CB 3.316 31.966 28.738 -0.147 0.000 1.286 216 Q HN -0.087 nan 8.270 nan 0.000 0.435 217 L N 3.880 125.025 121.223 -0.131 0.000 2.349 217 L HA 0.587 4.928 4.340 0.001 0.000 0.278 217 L C -1.609 175.169 176.870 -0.153 0.000 0.996 217 L CA -0.279 54.489 54.840 -0.119 0.000 0.825 217 L CB 1.510 43.562 42.059 -0.012 0.000 1.243 217 L HN 0.639 nan 8.230 nan 0.000 0.412 218 I N 7.925 128.356 120.570 -0.233 0.000 2.537 218 I HA 0.375 4.546 4.170 0.001 0.000 0.276 218 I C -2.180 173.922 176.117 -0.025 0.000 1.063 218 I CA -1.545 59.595 61.300 -0.267 0.000 1.144 218 I CB 1.329 38.887 38.000 -0.736 0.000 1.252 218 I HN 0.460 nan 8.210 nan 0.000 0.480 219 P HA 0.157 nan 4.420 nan 0.000 0.289 219 P C 1.010 178.490 177.300 0.301 0.000 1.299 219 P CA -0.230 63.023 63.100 0.255 0.000 0.766 219 P CB 0.898 32.849 31.700 0.419 0.000 1.226 220 G N -1.646 107.331 108.800 0.294 0.000 2.598 220 G HA2 -0.028 3.933 3.960 0.001 0.000 0.215 220 G HA3 -0.028 3.933 3.960 0.001 0.000 0.215 220 G C 0.327 175.044 174.900 -0.306 0.000 1.131 220 G CA 0.545 45.743 45.100 0.165 0.000 0.785 220 G HN 0.567 nan 8.290 nan 0.000 0.539 221 H N -2.172 117.089 119.070 0.319 0.000 2.974 221 H HA 0.425 4.982 4.556 0.001 0.000 0.366 221 H C 0.738 176.195 175.328 0.215 0.000 1.155 221 H CA -0.189 55.975 56.048 0.193 0.000 1.186 221 H CB 1.636 31.506 29.762 0.180 0.000 1.799 221 H HN 0.199 nan 8.280 nan 0.000 0.541 222 G N 1.088 110.046 108.800 0.264 0.000 2.195 222 G HA2 0.004 3.964 3.960 0.001 0.000 0.224 222 G HA3 0.004 3.964 3.960 0.001 0.000 0.224 222 G C 0.628 175.621 174.900 0.155 0.000 0.990 222 G CA 0.418 45.642 45.100 0.207 0.000 0.639 222 G HN 1.576 nan 8.290 nan 0.000 0.514 223 G N -1.008 107.920 108.800 0.213 0.000 2.428 223 G HA2 0.243 4.203 3.960 0.001 0.000 0.202 223 G HA3 0.243 4.203 3.960 0.001 0.000 0.202 223 G C -0.431 174.554 174.900 0.142 0.000 1.247 223 G CA -0.043 45.193 45.100 0.226 0.000 1.020 223 G HN 1.549 nan 8.290 nan 0.000 0.529 224 L N 0.381 121.638 121.223 0.056 0.000 2.307 224 L HA 0.826 5.166 4.340 0.001 0.000 0.284 224 L C -0.118 176.688 176.870 -0.106 0.000 1.023 224 L CA -1.008 53.797 54.840 -0.058 0.000 0.810 224 L CB 0.916 42.941 42.059 -0.057 0.000 1.231 224 L HN 0.584 nan 8.230 nan 0.000 0.423 225 L N 5.467 126.603 121.223 -0.145 0.000 2.325 225 L HA 0.654 4.995 4.340 0.001 0.000 0.278 225 L C -0.087 176.722 176.870 -0.101 0.000 1.023 225 L CA -0.647 54.092 54.840 -0.168 0.000 0.811 225 L CB 1.699 43.615 42.059 -0.238 0.000 1.249 225 L HN 0.733 nan 8.230 nan 0.000 0.431 226 R N 0.964 121.419 120.500 -0.076 0.000 3.003 226 R HA 0.876 5.217 4.340 0.001 0.000 0.251 226 R C 0.248 176.535 176.300 -0.022 0.000 1.265 226 R CA -0.326 55.747 56.100 -0.045 0.000 1.026 226 R CB 0.441 30.716 30.300 -0.041 0.000 1.307 226 R HN 0.640 nan 8.270 nan 0.000 0.475 227 G N 0.560 109.354 108.800 -0.011 0.000 2.582 227 G HA2 -0.361 3.600 3.960 0.001 0.000 0.288 227 G HA3 -0.361 3.600 3.960 0.001 0.000 0.288 227 G C 0.455 175.364 174.900 0.015 0.000 1.247 227 G CA 0.527 45.628 45.100 0.003 0.000 0.972 227 G HN 0.644 nan 8.290 nan 0.000 0.557 228 R N -0.171 120.345 120.500 0.026 0.000 2.189 228 R HA 0.084 4.424 4.340 0.001 0.000 0.223 228 R C 2.756 179.097 176.300 0.069 0.000 1.092 228 R CA 1.309 57.434 56.100 0.042 0.000 0.989 228 R CB -0.352 29.974 30.300 0.043 0.000 0.876 228 R HN 0.501 nan 8.270 nan 0.000 0.457 229 L N -0.188 121.077 121.223 0.069 0.000 2.141 229 L HA -0.135 4.206 4.340 0.001 0.000 0.209 229 L C 2.569 179.522 176.870 0.139 0.000 1.094 229 L CA 1.128 56.038 54.840 0.116 0.000 0.763 229 L CB -0.499 41.579 42.059 0.033 0.000 0.908 229 L HN 0.208 nan 8.230 nan 0.000 0.437 230 A N 0.024 122.881 122.820 0.062 0.000 1.874 230 A HA -0.014 4.307 4.320 0.001 0.000 0.214 230 A C 2.555 180.160 177.584 0.035 0.000 1.189 230 A CA 1.293 53.355 52.037 0.042 0.000 0.615 230 A CB -0.635 18.362 19.000 -0.006 0.000 0.830 230 A HN 0.331 nan 8.150 nan 0.000 0.443 231 A N 0.863 123.700 122.820 0.030 0.000 1.902 231 A HA -0.159 4.162 4.320 0.001 0.000 0.217 231 A C 1.552 179.147 177.584 0.018 0.000 1.181 231 A CA 2.050 54.096 52.037 0.016 0.000 0.623 231 A CB -0.507 18.503 19.000 0.016 0.000 0.818 231 A HN 0.630 nan 8.150 nan 0.000 0.443 232 D N -1.458 118.974 120.400 0.052 0.000 2.424 232 D HA 0.239 4.879 4.640 0.001 0.000 0.220 232 D C 1.324 177.679 176.300 0.090 0.000 1.150 232 D CA 0.586 54.619 54.000 0.055 0.000 0.831 232 D CB -0.743 40.095 40.800 0.064 0.000 0.981 232 D HN 0.193 nan 8.370 nan 0.000 0.500 233 G N 0.983 109.843 108.800 0.099 0.000 2.491 233 G HA2 -0.279 3.682 3.960 0.001 0.000 0.218 233 G HA3 -0.279 3.682 3.960 0.001 0.000 0.218 233 G C 1.609 176.406 174.900 -0.171 0.000 1.180 233 G CA 1.412 46.572 45.100 0.100 0.000 0.774 233 G HN 0.468 nan 8.290 nan 0.000 0.562 234 A N 0.345 123.056 122.820 -0.182 0.000 1.898 234 A HA 0.040 4.361 4.320 0.001 0.000 0.216 234 A C 2.168 179.679 177.584 -0.122 0.000 1.181 234 A CA 1.966 53.866 52.037 -0.229 0.000 0.620 234 A CB -0.453 18.422 19.000 -0.208 0.000 0.819 234 A HN 0.503 nan 8.150 nan 0.000 0.442 235 E N 0.023 120.183 120.200 -0.067 0.000 2.031 235 E HA -0.160 4.191 4.350 0.001 0.000 0.193 235 E C 2.148 178.793 176.600 0.075 0.000 0.994 235 E CA 1.508 57.896 56.400 -0.020 0.000 0.800 235 E CB -0.103 29.582 29.700 -0.026 0.000 0.752 235 E HN 0.541 nan 8.360 nan 0.000 0.447 236 S N 0.420 116.177 115.700 0.095 0.000 2.368 236 S HA -0.149 4.322 4.470 0.001 0.000 0.225 236 S C 2.046 176.761 174.600 0.192 0.000 1.030 236 S CA 0.944 59.254 58.200 0.184 0.000 0.999 236 S CB -0.292 63.093 63.200 0.308 0.000 0.844 236 S HN 0.490 nan 8.310 nan 0.000 0.459 237 A N 0.502 123.332 122.820 0.017 0.000 1.908 237 A HA -0.170 4.151 4.320 0.001 0.000 0.218 237 A C 1.920 179.542 177.584 0.063 0.000 1.181 237 A CA 1.694 53.682 52.037 -0.082 0.000 0.627 237 A CB -0.977 17.729 19.000 -0.490 0.000 0.818 237 A HN 0.599 nan 8.150 nan 0.000 0.445 238 Y N 1.353 121.621 120.300 -0.053 0.000 2.089 238 Y HA -0.252 4.299 4.550 0.001 0.000 0.282 238 Y C 3.048 178.979 175.900 0.051 0.000 1.139 238 Y CA 2.881 60.979 58.100 -0.003 0.000 1.123 238 Y CB -0.481 37.954 38.460 -0.041 0.000 0.980 238 Y HN 0.457 nan 8.280 nan 0.000 0.493 239 T N -2.160 112.557 114.554 0.272 0.000 2.915 239 T HA -0.134 4.217 4.350 0.001 0.000 0.269 239 T C 1.558 176.329 174.700 0.118 0.000 1.071 239 T CA 1.387 63.600 62.100 0.188 0.000 1.132 239 T CB -0.276 68.696 68.868 0.173 0.000 0.878 239 T HN 0.330 nan 8.240 nan 0.000 0.479 240 E N 0.341 120.622 120.200 0.136 0.000 2.152 240 E HA -0.030 4.321 4.350 0.001 0.000 0.192 240 E C 2.470 179.133 176.600 0.106 0.000 0.983 240 E CA 0.780 57.262 56.400 0.137 0.000 0.818 240 E CB -0.867 28.942 29.700 0.181 0.000 0.758 240 E HN 0.635 nan 8.360 nan 0.000 0.467 241 C N 0.763 120.103 119.300 0.067 0.000 2.446 241 C HA -0.036 4.425 4.460 0.001 0.000 0.277 241 C C 2.694 177.667 174.990 -0.029 0.000 1.275 241 C CA 0.342 59.365 59.018 0.008 0.000 1.727 241 C CB -1.127 26.616 27.740 0.004 0.000 2.010 241 C HN 0.338 nan 8.230 nan 0.000 0.486 242 L N 0.281 121.469 121.223 -0.058 0.000 2.083 242 L HA -0.127 4.214 4.340 0.001 0.000 0.209 242 L C 2.949 179.832 176.870 0.022 0.000 1.083 242 L CA 1.763 56.583 54.840 -0.034 0.000 0.752 242 L CB -0.867 41.184 42.059 -0.012 0.000 0.899 242 L HN 0.386 nan 8.230 nan 0.000 0.433 243 R N 0.145 120.675 120.500 0.050 0.000 2.083 243 R HA -0.230 4.111 4.340 0.001 0.000 0.237 243 R C 2.300 178.645 176.300 0.075 0.000 1.137 243 R CA 1.609 57.748 56.100 0.066 0.000 0.951 243 R CB -0.295 30.059 30.300 0.089 0.000 0.851 243 R HN 0.156 nan 8.270 nan 0.000 0.434 244 L N 0.341 121.621 121.223 0.094 0.000 2.083 244 L HA -0.185 4.155 4.340 0.001 0.000 0.209 244 L C 2.064 178.973 176.870 0.065 0.000 1.083 244 L CA 1.608 56.511 54.840 0.104 0.000 0.752 244 L CB -0.639 41.507 42.059 0.144 0.000 0.899 244 L HN 0.307 nan 8.230 nan 0.000 0.433 245 C N -0.694 118.629 119.300 0.040 0.000 2.429 245 C HA -0.139 4.321 4.460 0.001 0.000 0.277 245 C C 2.892 177.915 174.990 0.055 0.000 1.262 245 C CA 1.031 60.068 59.018 0.031 0.000 1.733 245 C CB -0.978 26.767 27.740 0.008 0.000 2.010 245 C HN 0.615 nan 8.230 nan 0.000 0.483 246 R N 1.316 121.852 120.500 0.060 0.000 2.066 246 R HA -0.039 4.302 4.340 0.001 0.000 0.232 246 R C 2.269 178.644 176.300 0.125 0.000 1.131 246 R CA 1.580 57.727 56.100 0.078 0.000 0.955 246 R CB -0.581 29.744 30.300 0.042 0.000 0.851 246 R HN 0.484 nan 8.270 nan 0.000 0.432 247 R N -0.096 120.466 120.500 0.103 0.000 2.073 247 R HA -0.121 4.220 4.340 0.001 0.000 0.234 247 R C 2.219 178.607 176.300 0.145 0.000 1.134 247 R CA 1.564 57.742 56.100 0.131 0.000 0.952 247 R CB -0.748 29.601 30.300 0.082 0.000 0.850 247 R HN 0.199 nan 8.270 nan 0.000 0.433 248 L N 0.715 121.993 121.223 0.093 0.000 1.994 248 L HA -0.156 4.184 4.340 0.001 0.000 0.208 248 L C 1.854 178.766 176.870 0.070 0.000 1.071 248 L CA 1.780 56.658 54.840 0.062 0.000 0.745 248 L CB -0.456 41.626 42.059 0.039 0.000 0.892 248 L HN 0.072 nan 8.230 nan 0.000 0.431 249 L N -1.104 120.174 121.223 0.092 0.000 2.109 249 L HA -0.186 4.154 4.340 0.001 0.000 0.207 249 L C 2.256 179.198 176.870 0.119 0.000 1.086 249 L CA 1.583 56.473 54.840 0.083 0.000 0.760 249 L CB -1.581 40.530 42.059 0.086 0.000 0.910 249 L HN 0.589 nan 8.230 nan 0.000 0.437 250 W N 1.030 122.329 121.300 -0.001 0.000 2.333 250 W HA -0.270 4.392 4.660 0.003 0.000 0.316 250 W C 2.480 178.996 176.519 -0.005 0.000 1.215 250 W CA 1.624 58.968 57.345 -0.001 0.000 1.278 250 W CB -0.105 29.355 29.460 0.001 0.000 1.154 250 W HN 0.114 nan 8.180 nan 0.000 0.486 251 R N 0.066 120.570 120.500 0.007 0.000 2.092 251 R HA -0.177 4.164 4.340 0.001 0.000 0.231 251 R C 2.489 178.699 176.300 -0.150 0.000 1.119 251 R CA 1.873 57.908 56.100 -0.108 0.000 0.970 251 R CB -0.671 29.639 30.300 0.017 0.000 0.864 251 R HN 0.342 nan 8.270 nan 0.000 0.440 252 Q N -0.283 119.464 119.800 -0.088 0.000 2.096 252 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 252 Q C 2.193 178.106 176.000 -0.144 0.000 0.982 252 Q CA 1.703 57.453 55.803 -0.090 0.000 0.850 252 Q CB -0.194 28.516 28.738 -0.046 0.000 0.901 252 Q HN 0.195 nan 8.270 nan 0.000 0.422 253 S N 0.063 115.642 115.700 -0.202 0.000 2.419 253 S HA -0.081 4.390 4.470 0.001 0.000 0.235 253 S C 1.679 176.083 174.600 -0.327 0.000 1.019 253 S CA 0.967 59.012 58.200 -0.257 0.000 0.982 253 S CB -0.005 63.001 63.200 -0.323 0.000 0.789 253 S HN 0.309 nan 8.310 nan 0.000 0.490 254 M N -0.145 119.213 119.600 -0.403 0.000 2.561 254 M HA 0.195 4.676 4.480 0.001 0.000 0.238 254 M C 1.419 177.606 176.300 -0.188 0.000 1.131 254 M CA 0.663 55.766 55.300 -0.330 0.000 1.046 254 M CB 0.267 32.643 32.600 -0.373 0.000 1.532 254 M HN 0.479 nan 8.290 nan 0.000 0.497 255 G N 0.982 109.689 108.800 -0.156 0.000 2.159 255 G HA2 -0.183 3.778 3.960 0.001 0.000 0.227 255 G HA3 -0.183 3.778 3.960 0.001 0.000 0.227 255 G C -0.263 174.589 174.900 -0.080 0.000 0.986 255 G CA -0.374 44.665 45.100 -0.101 0.000 0.651 255 G HN 0.507 nan 8.290 nan 0.000 0.523 256 E N 0.987 121.136 120.200 -0.086 0.000 2.373 256 E HA 0.490 4.841 4.350 0.001 0.000 0.263 256 E C 0.892 177.463 176.600 -0.048 0.000 1.073 256 E CA 0.241 56.605 56.400 -0.060 0.000 0.894 256 E CB 1.001 30.668 29.700 -0.056 0.000 1.008 256 E HN 0.502 nan 8.360 nan 0.000 0.420 257 S N 1.689 117.367 115.700 -0.037 0.000 2.652 257 S HA 0.182 4.652 4.470 0.001 0.000 0.270 257 S C 1.187 175.771 174.600 -0.027 0.000 1.243 257 S CA -0.759 57.422 58.200 -0.031 0.000 0.999 257 S CB 0.654 63.837 63.200 -0.028 0.000 0.973 257 S HN 0.574 nan 8.310 nan 0.000 0.544 258 L N 0.466 121.675 121.223 -0.024 0.000 2.129 258 L HA -0.154 4.187 4.340 0.001 0.000 0.212 258 L C 1.832 178.689 176.870 -0.021 0.000 1.087 258 L CA 1.476 56.305 54.840 -0.020 0.000 0.757 258 L CB -0.716 41.333 42.059 -0.017 0.000 0.896 258 L HN 0.700 nan 8.230 nan 0.000 0.434 259 D N -0.427 119.960 120.400 -0.023 0.000 2.218 259 D HA -0.203 4.437 4.640 0.001 0.000 0.204 259 D C 2.007 178.294 176.300 -0.020 0.000 0.976 259 D CA 0.972 54.959 54.000 -0.023 0.000 0.853 259 D CB 0.118 40.904 40.800 -0.023 0.000 0.939 259 D HN 0.430 nan 8.370 nan 0.000 0.481 260 E N -0.207 119.980 120.200 -0.022 0.000 2.046 260 E HA -0.124 4.227 4.350 0.001 0.000 0.190 260 E C 1.994 178.577 176.600 -0.028 0.000 0.982 260 E CA 0.255 56.642 56.400 -0.022 0.000 0.800 260 E CB -0.016 29.671 29.700 -0.023 0.000 0.756 260 E HN 0.021 nan 8.360 nan 0.000 0.449 261 L N 0.865 122.069 121.223 -0.030 0.000 2.046 261 L HA -0.139 4.202 4.340 0.001 0.000 0.208 261 L C 2.243 179.079 176.870 -0.056 0.000 1.077 261 L CA 1.733 56.545 54.840 -0.047 0.000 0.747 261 L CB -0.671 41.368 42.059 -0.034 0.000 0.896 261 L HN 0.057 nan 8.230 nan 0.000 0.432 262 S N -0.505 115.175 115.700 -0.032 0.000 2.365 262 S HA -0.250 4.221 4.470 0.001 0.000 0.225 262 S C 1.851 176.457 174.600 0.010 0.000 1.039 262 S CA 1.701 59.890 58.200 -0.018 0.000 1.033 262 S CB -0.355 62.834 63.200 -0.019 0.000 0.887 262 S HN 0.536 nan 8.310 nan 0.000 0.447 263 E N 0.265 120.472 120.200 0.011 0.000 2.077 263 E HA -0.205 4.146 4.350 0.001 0.000 0.193 263 E C 2.233 178.849 176.600 0.026 0.000 0.989 263 E CA 1.176 57.605 56.400 0.050 0.000 0.800 263 E CB -0.086 29.629 29.700 0.025 0.000 0.746 263 E HN 0.419 nan 8.360 nan 0.000 0.452 264 E N 1.051 121.227 120.200 -0.039 0.000 2.051 264 E HA -0.163 4.188 4.350 0.001 0.000 0.192 264 E C 1.983 178.470 176.600 -0.187 0.000 0.991 264 E CA 1.073 57.414 56.400 -0.099 0.000 0.799 264 E CB -0.287 29.348 29.700 -0.110 0.000 0.748 264 E HN 0.202 nan 8.360 nan 0.000 0.449 265 L N 0.147 121.227 121.223 -0.239 0.000 2.046 265 L HA -0.193 4.147 4.340 0.001 0.000 0.208 265 L C 2.811 179.639 176.870 -0.071 0.000 1.077 265 L CA 1.735 56.310 54.840 -0.440 0.000 0.747 265 L CB -0.879 40.938 42.059 -0.404 0.000 0.896 265 L HN 0.400 nan 8.230 nan 0.000 0.432 266 H N 0.578 119.663 119.070 0.025 0.000 2.290 266 H HA -0.206 4.351 4.556 0.001 0.000 0.298 266 H C 2.557 177.912 175.328 0.045 0.000 1.087 266 H CA 1.751 57.905 56.048 0.176 0.000 1.291 266 H CB 0.167 30.015 29.762 0.143 0.000 1.369 266 H HN 0.167 nan 8.280 nan 0.000 0.492 267 R N 0.434 120.830 120.500 -0.173 0.000 2.094 267 R HA -0.145 4.195 4.340 0.001 0.000 0.239 267 R C 2.429 178.626 176.300 -0.172 0.000 1.137 267 R CA 1.474 57.440 56.100 -0.224 0.000 0.943 267 R CB -0.470 29.756 30.300 -0.123 0.000 0.850 267 R HN 0.412 nan 8.270 nan 0.000 0.433 268 A N -0.474 122.245 122.820 -0.169 0.000 1.929 268 A HA -0.134 4.187 4.320 0.001 0.000 0.216 268 A C 1.401 179.062 177.584 0.127 0.000 1.176 268 A CA 1.074 53.039 52.037 -0.119 0.000 0.628 268 A CB -0.427 18.372 19.000 -0.334 0.000 0.816 268 A HN 0.499 nan 8.150 nan 0.000 0.444 269 W N -1.258 120.032 121.300 -0.017 0.000 2.993 269 W HA 0.301 4.962 4.660 0.001 0.000 0.290 269 W C 2.127 178.505 176.519 -0.235 0.000 1.203 269 W CA -0.278 57.060 57.345 -0.012 0.000 1.582 269 W CB -1.057 28.506 29.460 0.171 0.000 1.033 269 W HN 0.354 nan 8.180 nan 0.000 0.594 270 G N 0.689 109.329 108.800 -0.268 0.000 2.448 270 G HA2 -0.090 3.871 3.960 0.001 0.000 0.218 270 G HA3 -0.090 3.871 3.960 0.001 0.000 0.218 270 G C 1.840 176.539 174.900 -0.335 0.000 1.135 270 G CA 1.076 45.745 45.100 -0.718 0.000 0.784 270 G HN 0.275 nan 8.290 nan 0.000 0.543 271 G N 0.507 109.193 108.800 -0.190 0.000 2.513 271 G HA2 -0.336 3.625 3.960 0.001 0.000 0.219 271 G HA3 -0.336 3.625 3.960 0.001 0.000 0.219 271 G C 1.684 176.548 174.900 -0.061 0.000 1.160 271 G CA 1.241 46.282 45.100 -0.099 0.000 0.767 271 G HN 0.494 nan 8.290 nan 0.000 0.571 272 Q N 0.049 119.825 119.800 -0.039 0.000 2.135 272 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 272 Q C 2.540 178.549 176.000 0.016 0.000 0.981 272 Q CA 1.639 57.453 55.803 0.019 0.000 0.856 272 Q CB -0.071 28.695 28.738 0.048 0.000 0.902 272 Q HN 0.653 nan 8.270 nan 0.000 0.425 273 S N -1.245 114.373 115.700 -0.137 0.000 2.568 273 S HA 0.101 4.572 4.470 0.001 0.000 0.232 273 S C 1.287 175.614 174.600 -0.456 0.000 0.975 273 S CA -0.164 57.767 58.200 -0.447 0.000 0.949 273 S CB 0.839 63.641 63.200 -0.663 0.000 0.829 273 S HN 0.187 nan 8.310 nan 0.000 0.479 274 V N 1.877 121.680 119.914 -0.184 0.000 2.490 274 V HA -0.155 3.966 4.120 0.001 0.000 0.250 274 V C 2.007 178.073 176.094 -0.047 0.000 1.061 274 V CA 2.504 64.740 62.300 -0.106 0.000 1.064 274 V CB -0.472 31.321 31.823 -0.050 0.000 0.670 274 V HN 0.590 nan 8.190 nan 0.000 0.461 275 D N -0.463 119.951 120.400 0.024 0.000 2.183 275 D HA -0.122 4.519 4.640 0.001 0.000 0.203 275 D C 1.533 177.955 176.300 0.203 0.000 0.969 275 D CA 1.644 55.715 54.000 0.119 0.000 0.842 275 D CB -0.088 40.812 40.800 0.168 0.000 0.957 275 D HN 0.707 nan 8.370 nan 0.000 0.484 276 F N -1.312 118.707 119.950 0.114 0.000 2.682 276 F HA 0.396 4.924 4.527 0.001 0.000 0.308 276 F C -0.430 175.515 175.800 0.241 0.000 1.093 276 F CA -0.801 57.297 58.000 0.164 0.000 1.244 276 F CB 0.300 39.391 39.000 0.153 0.000 1.052 276 F HN -0.182 nan 8.300 nan 0.000 0.573 277 L N 2.684 123.816 121.223 -0.151 0.000 2.441 277 L HA 0.662 5.003 4.340 0.001 0.000 0.270 277 L C -2.847 174.000 176.870 -0.038 0.000 0.973 277 L CA -2.582 52.225 54.840 -0.055 0.000 0.842 277 L CB 1.435 43.380 42.059 -0.190 0.000 1.239 277 L HN -0.219 nan 8.230 nan 0.000 0.406 278 P HA 0.118 nan 4.420 nan 0.000 0.263 278 P C 0.715 178.015 177.300 0.000 0.000 1.175 278 P CA 0.369 63.457 63.100 -0.020 0.000 0.761 278 P CB 0.760 32.428 31.700 -0.052 0.000 0.794 279 G N 2.535 111.351 108.800 0.026 0.000 2.422 279 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 279 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 279 G C 1.322 176.187 174.900 -0.058 0.000 1.140 279 G CA 0.599 45.752 45.100 0.089 0.000 0.775 279 G HN 0.618 nan 8.290 nan 0.000 0.545 280 E N -0.160 119.995 120.200 -0.074 0.000 2.033 280 E HA -0.210 4.141 4.350 0.001 0.000 0.199 280 E C 2.312 178.830 176.600 -0.137 0.000 1.011 280 E CA 1.350 57.678 56.400 -0.119 0.000 0.815 280 E CB -0.319 29.331 29.700 -0.084 0.000 0.755 280 E HN 0.284 nan 8.360 nan 0.000 0.451 281 L N 0.541 121.703 121.223 -0.103 0.000 2.093 281 L HA -0.127 4.214 4.340 0.001 0.000 0.208 281 L C 2.300 179.093 176.870 -0.128 0.000 1.085 281 L CA 2.443 57.208 54.840 -0.124 0.000 0.755 281 L CB -0.865 41.123 42.059 -0.118 0.000 0.904 281 L HN 0.328 nan 8.230 nan 0.000 0.435 282 H N -1.105 117.897 119.070 -0.113 0.000 2.267 282 H HA -0.227 4.330 4.556 0.001 0.000 0.297 282 H C 2.088 177.361 175.328 -0.090 0.000 1.080 282 H CA 2.499 58.522 56.048 -0.041 0.000 1.278 282 H CB -0.365 29.455 29.762 0.097 0.000 1.365 282 H HN 0.284 nan 8.280 nan 0.000 0.489 283 L N 0.349 121.433 121.223 -0.232 0.000 1.997 283 L HA -0.134 4.207 4.340 0.001 0.000 0.216 283 L C 2.593 179.337 176.870 -0.209 0.000 1.074 283 L CA 2.404 57.064 54.840 -0.301 0.000 0.763 283 L CB -1.299 40.459 42.059 -0.502 0.000 0.890 283 L HN 0.504 nan 8.230 nan 0.000 0.434 284 G N -1.663 107.013 108.800 -0.207 0.000 2.422 284 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 284 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 284 G C 1.622 176.389 174.900 -0.223 0.000 1.146 284 G CA 1.177 46.168 45.100 -0.181 0.000 0.769 284 G HN 0.627 nan 8.290 nan 0.000 0.547 285 S N -0.057 115.448 115.700 -0.324 0.000 2.402 285 S HA -0.016 4.455 4.470 0.001 0.000 0.229 285 S C 2.340 176.793 174.600 -0.244 0.000 1.021 285 S CA 1.286 59.179 58.200 -0.513 0.000 0.974 285 S CB -0.232 62.463 63.200 -0.841 0.000 0.800 285 S HN 0.121 nan 8.310 nan 0.000 0.484 286 M N 1.612 121.106 119.600 -0.175 0.000 2.132 286 M HA 0.101 4.582 4.480 0.001 0.000 0.263 286 M C 2.466 178.767 176.300 0.001 0.000 1.065 286 M CA 1.392 56.682 55.300 -0.016 0.000 1.122 286 M CB -1.259 31.328 32.600 -0.021 0.000 1.365 286 M HN 0.452 nan 8.290 nan 0.000 0.411 287 R N 0.101 120.570 120.500 -0.051 0.000 2.081 287 R HA -0.168 4.173 4.340 0.001 0.000 0.235 287 R C 2.400 178.687 176.300 -0.022 0.000 1.131 287 R CA 1.724 57.801 56.100 -0.038 0.000 0.960 287 R CB -0.174 30.092 30.300 -0.057 0.000 0.856 287 R HN 0.270 nan 8.270 nan 0.000 0.436 288 R N 0.308 120.785 120.500 -0.037 0.000 2.081 288 R HA -0.170 4.171 4.340 0.001 0.000 0.235 288 R C 2.374 178.710 176.300 0.061 0.000 1.131 288 R CA 1.943 58.038 56.100 -0.008 0.000 0.960 288 R CB -0.296 29.972 30.300 -0.052 0.000 0.856 288 R HN 0.299 nan 8.270 nan 0.000 0.436 289 M N 0.524 120.208 119.600 0.141 0.000 2.080 289 M HA -0.192 4.289 4.480 0.001 0.000 0.260 289 M C 1.794 178.126 176.300 0.054 0.000 1.068 289 M CA 1.742 57.131 55.300 0.149 0.000 1.109 289 M CB -0.054 32.681 32.600 0.225 0.000 1.342 289 M HN 0.253 nan 8.290 nan 0.000 0.405 290 L N -0.209 121.041 121.223 0.046 0.000 2.093 290 L HA -0.178 4.163 4.340 0.001 0.000 0.208 290 L C 2.241 179.115 176.870 0.008 0.000 1.085 290 L CA 1.370 56.223 54.840 0.021 0.000 0.755 290 L CB -0.835 41.233 42.059 0.015 0.000 0.904 290 L HN 0.396 nan 8.230 nan 0.000 0.435 291 E N 0.547 120.750 120.200 0.006 0.000 2.058 291 E HA -0.237 4.114 4.350 0.001 0.000 0.194 291 E C 2.235 178.835 176.600 -0.001 0.000 0.997 291 E CA 1.390 57.789 56.400 -0.001 0.000 0.801 291 E CB -0.145 29.553 29.700 -0.004 0.000 0.746 291 E HN 0.456 nan 8.360 nan 0.000 0.450 292 I N 0.927 121.498 120.570 0.003 0.000 2.179 292 I HA -0.283 3.887 4.170 0.001 0.000 0.242 292 I C 2.319 178.427 176.117 -0.016 0.000 1.088 292 I CA 0.983 62.280 61.300 -0.005 0.000 1.357 292 I CB -0.224 37.772 38.000 -0.007 0.000 1.051 292 I HN 0.117 nan 8.210 nan 0.000 0.409 293 L N -0.447 120.764 121.223 -0.020 0.000 2.017 293 L HA -0.221 4.119 4.340 0.001 0.000 0.208 293 L C 2.751 179.616 176.870 -0.008 0.000 1.073 293 L CA 1.335 56.162 54.840 -0.022 0.000 0.745 293 L CB -0.716 41.331 42.059 -0.019 0.000 0.894 293 L HN 0.240 nan 8.230 nan 0.000 0.432 294 S N -0.141 115.557 115.700 -0.003 0.000 2.365 294 S HA -0.218 4.253 4.470 0.001 0.000 0.225 294 S C 2.111 176.709 174.600 -0.002 0.000 1.039 294 S CA 1.554 59.753 58.200 -0.002 0.000 1.033 294 S CB -0.072 63.126 63.200 -0.004 0.000 0.887 294 S HN 0.349 nan 8.310 nan 0.000 0.447 295 R N 0.018 120.516 120.500 -0.004 0.000 2.090 295 R HA 0.050 4.391 4.340 0.001 0.000 0.228 295 R C 2.584 178.883 176.300 -0.002 0.000 1.110 295 R CA 1.367 57.465 56.100 -0.003 0.000 0.973 295 R CB -0.187 30.111 30.300 -0.004 0.000 0.869 295 R HN 0.521 nan 8.270 nan 0.000 0.440 296 Q N -0.197 119.600 119.800 -0.004 0.000 2.396 296 Q HA 0.224 4.565 4.340 0.001 0.000 0.220 296 Q C 0.197 176.196 176.000 -0.002 0.000 0.900 296 Q CA -0.072 55.729 55.803 -0.003 0.000 0.925 296 Q CB 0.725 29.459 28.738 -0.007 0.000 1.065 296 Q HN 0.180 nan 8.270 nan 0.000 0.535 297 A N 1.269 124.087 122.820 -0.003 0.000 2.498 297 A HA 0.152 4.473 4.320 0.001 0.000 0.239 297 A C -0.168 177.422 177.584 0.010 0.000 1.068 297 A CA -0.292 51.745 52.037 0.001 0.000 0.766 297 A CB 0.048 19.049 19.000 0.002 0.000 1.003 297 A HN 0.327 nan 8.150 nan 0.000 0.497 298 L N 3.707 124.938 121.223 0.014 0.000 2.540 298 L HA 0.212 4.553 4.340 0.001 0.000 0.276 298 L C -1.756 175.128 176.870 0.024 0.000 1.212 298 L CA -0.618 54.234 54.840 0.019 0.000 0.893 298 L CB 0.037 42.110 42.059 0.024 0.000 1.138 298 L HN 0.511 nan 8.230 nan 0.000 0.491 299 P HA 0.019 nan 4.420 nan 0.000 0.270 299 P C 0.558 177.880 177.300 0.037 0.000 1.223 299 P CA -0.138 62.978 63.100 0.026 0.000 0.785 299 P CB 0.521 32.232 31.700 0.019 0.000 0.923 300 L N -0.058 121.194 121.223 0.048 0.000 2.418 300 L HA 0.007 4.347 4.340 0.001 0.000 0.218 300 L C 1.010 177.914 176.870 0.058 0.000 1.125 300 L CA 0.276 55.156 54.840 0.066 0.000 0.835 300 L CB -0.776 41.346 42.059 0.105 0.000 0.953 300 L HN 0.521 nan 8.230 nan 0.000 0.454 301 D N 0.000 120.425 120.400 0.042 0.000 6.856 301 D HA 0.000 4.641 4.640 0.001 0.000 0.175 301 D CA 0.000 54.021 54.000 0.035 0.000 0.868 301 D CB 0.000 40.814 40.800 0.023 0.000 0.688 301 D HN 0.000 nan 8.370 nan 0.000 0.683