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 1ed5_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 67 G C 0.000 174.856 174.900 -0.073 0.000 0.946 67 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 68 P HA 0.235 nan 4.420 nan 0.000 0.264 68 P C -0.181 177.107 177.300 -0.020 0.000 1.183 68 P CA 0.080 63.086 63.100 -0.157 0.000 0.763 68 P CB 0.491 31.874 31.700 -0.528 0.000 0.807 69 K N 3.221 123.542 120.400 -0.130 0.000 3.216 69 K HA 0.214 4.540 4.320 0.010 0.000 0.277 69 K C -0.529 175.645 176.600 -0.710 0.000 1.246 69 K CA 0.230 56.302 56.287 -0.357 0.000 1.227 69 K CB -0.548 31.694 32.500 -0.429 0.000 1.487 69 K HN 0.402 nan 8.250 nan 0.000 0.341 70 F N -0.302 119.678 119.950 0.050 0.000 2.662 70 F HA 0.300 4.833 4.527 0.010 0.000 0.312 70 F C -2.293 173.601 175.800 0.157 0.000 1.113 70 F CA -2.896 55.153 58.000 0.082 0.000 0.951 70 F CB 0.967 40.017 39.000 0.084 0.000 1.344 70 F HN -0.054 nan 8.300 nan 0.000 0.462 71 P HA 0.083 nan 4.420 nan 0.000 0.264 71 P C -0.882 176.504 177.300 0.144 0.000 1.193 71 P CA -0.103 63.103 63.100 0.176 0.000 0.763 71 P CB 0.496 32.274 31.700 0.129 0.000 0.810 72 R N 3.055 123.572 120.500 0.028 0.000 2.265 72 R HA 0.426 4.772 4.340 0.010 0.000 0.319 72 R C -1.263 174.930 176.300 -0.179 0.000 1.006 72 R CA -0.557 55.383 56.100 -0.266 0.000 0.880 72 R CB 0.549 30.717 30.300 -0.219 0.000 1.077 72 R HN 0.228 nan 8.270 nan 0.000 0.454 73 V N 4.948 124.723 119.914 -0.232 0.000 2.448 73 V HA 0.381 4.507 4.120 0.010 0.000 0.295 73 V C -0.272 175.735 176.094 -0.144 0.000 1.025 73 V CA -0.782 61.454 62.300 -0.106 0.000 0.859 73 V CB 1.535 33.337 31.823 -0.035 0.000 0.988 73 V HN 0.726 nan 8.190 nan 0.000 0.431 74 K N 3.594 123.930 120.400 -0.107 0.000 2.259 74 K HA 0.453 4.779 4.320 0.010 0.000 0.249 74 K C -0.717 175.802 176.600 -0.135 0.000 0.942 74 K CA -0.725 55.426 56.287 -0.225 0.000 0.816 74 K CB 1.596 33.807 32.500 -0.482 0.000 1.155 74 K HN 0.728 nan 8.250 nan 0.000 0.428 75 N N 3.861 122.468 118.700 -0.155 0.000 2.476 75 N HA 0.113 4.859 4.740 0.010 0.000 0.257 75 N C -0.324 175.160 175.510 -0.043 0.000 0.970 75 N CA -0.387 52.681 53.050 0.030 0.000 0.938 75 N CB 0.514 39.038 38.487 0.061 0.000 1.144 75 N HN 0.669 nan 8.380 nan 0.000 0.500 76 W N 2.108 123.492 121.300 0.139 0.000 2.678 76 W HA 0.113 4.779 4.660 0.010 0.000 0.256 76 W C 2.067 178.634 176.519 0.081 0.000 1.280 76 W CA -0.025 57.392 57.345 0.119 0.000 1.345 76 W CB 0.234 29.791 29.460 0.162 0.000 1.118 76 W HN 0.662 nan 8.180 nan 0.000 0.629 77 E N 0.574 120.921 120.200 0.246 0.000 2.076 77 E HA -0.126 4.230 4.350 0.010 0.000 0.190 77 E C 1.730 178.362 176.600 0.054 0.000 0.979 77 E CA 1.080 57.526 56.400 0.076 0.000 0.807 77 E CB -0.235 29.485 29.700 0.033 0.000 0.761 77 E HN 0.259 nan 8.360 nan 0.000 0.454 78 L N -0.766 120.488 121.223 0.052 0.000 2.554 78 L HA 0.298 4.644 4.340 0.010 0.000 0.225 78 L C 1.436 178.295 176.870 -0.019 0.000 1.104 78 L CA 0.352 55.202 54.840 0.017 0.000 0.866 78 L CB 0.413 42.483 42.059 0.019 0.000 1.047 78 L HN 0.392 nan 8.230 nan 0.000 0.468 79 G N 1.015 109.783 108.800 -0.054 0.000 2.179 79 G HA2 -0.300 3.666 3.960 0.010 0.000 0.257 79 G HA3 -0.300 3.666 3.960 0.010 0.000 0.257 79 G C 0.315 175.130 174.900 -0.142 0.000 1.010 79 G CA 0.493 45.514 45.100 -0.132 0.000 0.736 79 G HN 0.471 nan 8.290 nan 0.000 0.513 80 S N -0.546 115.086 115.700 -0.114 0.000 2.646 80 S HA 0.859 5.335 4.470 0.010 0.000 0.276 80 S C 0.027 174.543 174.600 -0.139 0.000 1.222 80 S CA -0.949 57.193 58.200 -0.097 0.000 1.014 80 S CB 2.400 65.568 63.200 -0.052 0.000 0.991 80 S HN 0.421 nan 8.310 nan 0.000 0.533 81 I N 1.618 122.113 120.570 -0.125 0.000 2.689 81 I HA 0.604 4.780 4.170 0.010 0.000 0.299 81 I C 0.074 176.097 176.117 -0.157 0.000 1.059 81 I CA -0.281 60.911 61.300 -0.180 0.000 1.055 81 I CB 1.835 39.713 38.000 -0.204 0.000 1.243 81 I HN 1.068 nan 8.210 nan 0.000 0.425 82 T N 1.276 115.687 114.554 -0.237 0.000 2.864 82 T HA 0.704 5.060 4.350 0.010 0.000 0.299 82 T C -1.389 173.111 174.700 -0.335 0.000 1.166 82 T CA -0.712 61.294 62.100 -0.157 0.000 1.007 82 T CB 1.948 70.777 68.868 -0.064 0.000 1.219 82 T HN 0.265 nan 8.240 nan 0.000 0.506 83 Y N 0.189 120.479 120.300 -0.017 0.000 2.409 83 Y HA 0.523 5.079 4.550 0.010 0.000 0.343 83 Y C -0.065 175.810 175.900 -0.042 0.000 0.973 83 Y CA -0.947 57.153 58.100 0.000 0.000 1.064 83 Y CB 1.775 40.240 38.460 0.009 0.000 1.207 83 Y HN 0.718 nan 8.280 nan 0.000 0.452 84 D N 1.795 122.269 120.400 0.123 0.000 2.359 84 D HA 0.112 4.758 4.640 0.010 0.000 0.230 84 D C 0.602 176.879 176.300 -0.039 0.000 1.118 84 D CA 0.038 54.067 54.000 0.047 0.000 0.844 84 D CB 1.335 42.197 40.800 0.105 0.000 1.059 84 D HN 0.798 nan 8.370 nan 0.000 0.493 85 T N 1.075 115.484 114.554 -0.243 0.000 3.022 85 T HA -0.041 4.315 4.350 0.010 0.000 0.250 85 T C 1.819 176.393 174.700 -0.210 0.000 1.060 85 T CA -0.231 61.568 62.100 -0.502 0.000 1.013 85 T CB 0.116 68.476 68.868 -0.846 0.000 0.982 85 T HN 0.252 nan 8.240 nan 0.000 0.508 86 L N 2.473 123.611 121.223 -0.142 0.000 2.141 86 L HA 0.061 4.407 4.340 0.010 0.000 0.209 86 L C 2.596 179.322 176.870 -0.241 0.000 1.094 86 L CA 1.178 55.962 54.840 -0.094 0.000 0.763 86 L CB -0.920 41.163 42.059 0.040 0.000 0.908 86 L HN 0.657 nan 8.230 nan 0.000 0.437 87 C N -1.571 117.388 119.300 -0.567 0.000 2.419 87 C HA 0.060 4.526 4.460 0.010 0.000 0.283 87 C C 2.761 177.534 174.990 -0.361 0.000 1.373 87 C CA 0.149 58.560 59.018 -1.012 0.000 1.781 87 C CB -2.251 24.849 27.740 -1.067 0.000 1.886 87 C HN 0.576 nan 8.230 nan 0.000 0.520 88 A N 0.061 122.805 122.820 -0.128 0.000 2.121 88 A HA -0.078 4.248 4.320 0.010 0.000 0.218 88 A C 2.278 179.853 177.584 -0.015 0.000 1.154 88 A CA 1.297 53.332 52.037 -0.004 0.000 0.679 88 A CB -0.420 18.666 19.000 0.144 0.000 0.795 88 A HN 0.713 nan 8.150 nan 0.000 0.458 89 Q N -0.090 119.688 119.800 -0.038 0.000 2.424 89 Q HA 0.067 4.413 4.340 0.010 0.000 0.204 89 Q C 0.787 176.800 176.000 0.023 0.000 0.933 89 Q CA 0.283 56.089 55.803 0.005 0.000 0.929 89 Q CB -0.256 28.493 28.738 0.019 0.000 1.037 89 Q HN 0.515 nan 8.270 nan 0.000 0.511 90 S N 1.176 116.878 115.700 0.003 0.000 2.544 90 S HA -0.024 4.452 4.470 0.010 0.000 0.290 90 S C 0.844 175.470 174.600 0.043 0.000 1.276 90 S CA 0.201 58.432 58.200 0.052 0.000 1.075 90 S CB 0.394 63.631 63.200 0.060 0.000 0.849 90 S HN 0.189 nan 8.310 nan 0.000 0.494 91 Q N 2.727 122.559 119.800 0.053 0.000 2.194 91 Q HA 0.221 4.567 4.340 0.010 0.000 0.214 91 Q C -0.119 175.904 176.000 0.039 0.000 0.838 91 Q CA 0.042 55.871 55.803 0.043 0.000 0.972 91 Q CB 0.704 29.471 28.738 0.049 0.000 1.131 91 Q HN 0.746 nan 8.270 nan 0.000 0.498 92 Q N 0.902 120.728 119.800 0.044 0.000 2.289 92 Q HA 0.191 4.537 4.340 0.010 0.000 0.270 92 Q C -1.533 174.492 176.000 0.043 0.000 1.038 92 Q CA -0.507 55.318 55.803 0.037 0.000 0.812 92 Q CB 1.765 30.521 28.738 0.031 0.000 1.300 92 Q HN 0.002 nan 8.270 nan 0.000 0.427 93 D N 2.141 122.561 120.400 0.034 0.000 2.345 93 D HA 0.273 4.919 4.640 0.010 0.000 0.247 93 D C 0.248 176.571 176.300 0.038 0.000 1.108 93 D CA 0.299 54.321 54.000 0.037 0.000 0.894 93 D CB 1.430 42.247 40.800 0.028 0.000 1.203 93 D HN 0.685 nan 8.370 nan 0.000 0.430 94 G N 1.094 109.921 108.800 0.046 0.000 2.543 94 G HA2 0.284 4.250 3.960 0.010 0.000 0.267 94 G HA3 0.284 4.250 3.960 0.010 0.000 0.267 94 G C -1.623 173.300 174.900 0.038 0.000 1.406 94 G CA -0.621 44.506 45.100 0.044 0.000 1.048 94 G HN 0.304 nan 8.290 nan 0.000 0.548 95 P HA 0.142 nan 4.420 nan 0.000 0.245 95 P C 0.353 177.673 177.300 0.034 0.000 1.203 95 P CA 0.018 63.140 63.100 0.036 0.000 0.792 95 P CB 0.180 31.905 31.700 0.040 0.000 0.997 96 C N 0.863 120.185 119.300 0.037 0.000 2.520 96 C HA 0.603 5.069 4.460 0.010 0.000 0.376 96 C C 1.087 176.093 174.990 0.028 0.000 1.268 96 C CA 0.178 59.216 59.018 0.033 0.000 2.414 96 C CB 0.732 28.495 27.740 0.038 0.000 2.521 96 C HN 0.354 nan 8.230 nan 0.000 0.618 97 T N -1.821 112.746 114.554 0.022 0.000 2.843 97 T HA 0.414 4.770 4.350 0.010 0.000 0.302 97 T C -2.522 172.187 174.700 0.015 0.000 1.232 97 T CA -1.085 61.025 62.100 0.017 0.000 1.009 97 T CB 1.283 70.159 68.868 0.014 0.000 1.254 97 T HN 0.262 nan 8.240 nan 0.000 0.504 98 P HA 0.025 nan 4.420 nan 0.000 0.221 98 P C 1.439 178.744 177.300 0.008 0.000 1.145 98 P CA 0.613 63.718 63.100 0.009 0.000 0.795 98 P CB 0.135 31.838 31.700 0.006 0.000 0.775 99 R N -0.180 120.325 120.500 0.008 0.000 2.093 99 R HA -0.025 4.321 4.340 0.010 0.000 0.224 99 R C 0.587 176.891 176.300 0.007 0.000 1.101 99 R CA 0.854 56.958 56.100 0.007 0.000 0.979 99 R CB 0.206 30.510 30.300 0.007 0.000 0.877 99 R HN 0.052 nan 8.270 nan 0.000 0.441 100 R N -0.332 120.174 120.500 0.010 0.000 2.629 100 R HA 0.150 4.497 4.340 0.010 0.000 0.266 100 R C -1.860 174.449 176.300 0.015 0.000 1.051 100 R CA -0.742 55.365 56.100 0.011 0.000 0.895 100 R CB 0.060 30.367 30.300 0.011 0.000 1.246 100 R HN 0.084 nan 8.270 nan 0.000 0.459 101 C N 3.716 123.025 119.300 0.014 0.000 2.347 101 C HA 0.570 5.036 4.460 0.010 0.000 0.353 101 C C 0.802 175.808 174.990 0.026 0.000 1.273 101 C CA -0.630 58.401 59.018 0.020 0.000 1.861 101 C CB -0.808 26.940 27.740 0.014 0.000 2.420 101 C HN 0.755 nan 8.230 nan 0.000 0.542 102 L N 5.718 126.962 121.223 0.035 0.000 3.110 102 L HA 0.281 4.627 4.340 0.010 0.000 0.266 102 L C 2.044 178.949 176.870 0.058 0.000 1.257 102 L CA 0.213 55.079 54.840 0.043 0.000 1.038 102 L CB -0.054 42.029 42.059 0.040 0.000 1.395 102 L HN 1.026 nan 8.230 nan 0.000 0.566 103 G N 0.326 109.162 108.800 0.060 0.000 2.479 103 G HA2 -0.274 3.692 3.960 0.010 0.000 0.220 103 G HA3 -0.274 3.692 3.960 0.010 0.000 0.220 103 G C 1.620 176.590 174.900 0.117 0.000 1.115 103 G CA 1.198 46.346 45.100 0.080 0.000 0.757 103 G HN 0.512 nan 8.290 nan 0.000 0.560 104 S N -0.563 115.203 115.700 0.110 0.000 2.527 104 S HA 0.272 4.748 4.470 0.010 0.000 0.222 104 S C 0.769 175.463 174.600 0.156 0.000 0.985 104 S CA -0.413 57.873 58.200 0.144 0.000 0.921 104 S CB -0.072 63.190 63.200 0.102 0.000 0.772 104 S HN -0.010 nan 8.310 nan 0.000 0.529 105 L N 2.392 123.689 121.223 0.124 0.000 2.455 105 L HA 0.203 4.549 4.340 0.010 0.000 0.272 105 L C 1.410 178.381 176.870 0.167 0.000 1.174 105 L CA 0.232 55.142 54.840 0.118 0.000 0.869 105 L CB 0.672 42.779 42.059 0.080 0.000 1.130 105 L HN -0.003 nan 8.230 nan 0.000 0.474 106 V N 4.127 124.152 119.914 0.185 0.000 2.307 106 V HA -0.139 3.987 4.120 0.010 0.000 0.245 106 V C 1.082 177.273 176.094 0.161 0.000 1.045 106 V CA 1.377 63.831 62.300 0.255 0.000 1.024 106 V CB -0.295 31.669 31.823 0.235 0.000 0.651 106 V HN 0.551 nan 8.190 nan 0.000 0.449 107 L N 2.447 123.714 121.223 0.073 0.000 2.784 107 L HA 0.349 4.695 4.340 0.010 0.000 0.241 107 L C -2.400 174.503 176.870 0.055 0.000 1.352 107 L CA -1.184 53.678 54.840 0.037 0.000 0.911 107 L CB 0.702 42.711 42.059 -0.083 0.000 1.227 107 L HN 0.228 nan 8.230 nan 0.000 0.501 108 P HA 0.091 nan 4.420 nan 0.000 0.276 108 P C -0.248 177.083 177.300 0.052 0.000 1.230 108 P CA -0.488 62.645 63.100 0.056 0.000 0.776 108 P CB 0.851 32.586 31.700 0.058 0.000 0.888 109 R N 3.598 124.120 120.500 0.036 0.000 3.097 109 R HA 0.042 4.388 4.340 0.010 0.000 0.212 109 R C 0.790 177.109 176.300 0.031 0.000 1.651 109 R CA 0.394 56.512 56.100 0.030 0.000 1.134 109 R CB -0.457 29.854 30.300 0.017 0.000 1.241 109 R HN 0.477 nan 8.270 nan 0.000 0.640 110 K N 0.388 120.812 120.400 0.041 0.000 3.248 110 K HA 0.181 4.507 4.320 0.010 0.000 0.255 110 K C 1.907 178.525 176.600 0.030 0.000 1.395 110 K CA -0.204 56.103 56.287 0.033 0.000 1.139 110 K CB -0.785 31.735 32.500 0.035 0.000 2.091 110 K HN 0.041 nan 8.250 nan 0.000 0.408 111 L N 2.198 123.439 121.223 0.030 0.000 2.013 111 L HA -0.132 4.214 4.340 0.010 0.000 0.212 111 L C 0.877 177.765 176.870 0.030 0.000 1.073 111 L CA 1.033 55.882 54.840 0.016 0.000 0.753 111 L CB -1.013 41.038 42.059 -0.012 0.000 0.890 111 L HN 0.387 nan 8.230 nan 0.000 0.432 112 Q N 1.544 121.384 119.800 0.066 0.000 3.339 112 Q HA -0.202 4.144 4.340 0.010 0.000 0.293 112 Q C 0.163 176.184 176.000 0.034 0.000 1.307 112 Q CA 0.860 56.707 55.803 0.074 0.000 0.927 112 Q CB -0.502 28.269 28.738 0.055 0.000 0.947 112 Q HN 0.495 nan 8.270 nan 0.000 0.432 113 T N 2.076 116.650 114.554 0.032 0.000 4.578 113 T HA 0.253 4.609 4.350 0.010 0.000 0.236 113 T C 0.234 174.928 174.700 -0.009 0.000 1.038 113 T CA -0.653 61.451 62.100 0.006 0.000 1.067 113 T CB -0.019 68.851 68.868 0.004 0.000 1.390 113 T HN 0.441 nan 8.240 nan 0.000 1.076 114 R N 2.713 123.205 120.500 -0.014 0.000 2.623 114 R HA 0.245 4.591 4.340 0.010 0.000 0.271 114 R C -2.440 173.838 176.300 -0.036 0.000 1.043 114 R CA -1.669 54.412 56.100 -0.032 0.000 1.083 114 R CB -0.409 29.875 30.300 -0.027 0.000 0.974 114 R HN 0.288 nan 8.270 nan 0.000 0.436 115 P HA -0.002 nan 4.420 nan 0.000 0.258 115 P C -1.071 176.209 177.300 -0.033 0.000 1.187 115 P CA 0.483 63.557 63.100 -0.044 0.000 0.767 115 P CB 0.561 32.228 31.700 -0.056 0.000 0.770 116 S N 3.416 119.099 115.700 -0.029 0.000 2.497 116 S HA 0.366 4.842 4.470 0.010 0.000 0.176 116 S C -1.675 172.912 174.600 -0.022 0.000 1.445 116 S CA -1.202 56.984 58.200 -0.023 0.000 1.092 116 S CB 0.025 63.212 63.200 -0.022 0.000 1.216 116 S HN 0.168 nan 8.310 nan 0.000 0.486 117 P HA -0.054 nan 4.420 nan 0.000 0.212 117 P C 1.028 178.321 177.300 -0.012 0.000 0.886 117 P CA 1.245 64.336 63.100 -0.015 0.000 1.017 117 P CB -0.706 30.988 31.700 -0.011 0.000 0.686 118 G N 1.290 110.085 108.800 -0.008 0.000 2.134 118 G HA2 0.030 3.996 3.960 0.010 0.000 0.246 118 G HA3 0.030 3.996 3.960 0.010 0.000 0.246 118 G C -2.192 172.704 174.900 -0.006 0.000 1.024 118 G CA -0.494 44.603 45.100 -0.004 0.000 0.895 118 G HN 0.204 nan 8.290 nan 0.000 0.420 119 P HA 0.008 nan 4.420 nan 0.000 0.265 119 P C -1.692 175.607 177.300 -0.003 0.000 1.167 119 P CA -0.315 62.783 63.100 -0.004 0.000 0.760 119 P CB 0.109 31.811 31.700 0.004 0.000 0.783 120 P HA 0.230 nan 4.420 nan 0.000 0.274 120 P C -2.531 174.774 177.300 0.008 0.000 1.237 120 P CA -1.629 61.471 63.100 -0.001 0.000 0.793 120 P CB -0.496 31.201 31.700 -0.005 0.000 0.977 121 P HA 0.032 nan 4.420 nan 0.000 0.260 121 P C 0.926 178.236 177.300 0.017 0.000 1.207 121 P CA 0.269 63.376 63.100 0.011 0.000 0.780 121 P CB -0.030 31.675 31.700 0.009 0.000 0.789 122 A N 3.924 126.755 122.820 0.018 0.000 2.042 122 A HA -0.274 4.052 4.320 0.010 0.000 0.222 122 A C 2.103 179.698 177.584 0.018 0.000 1.167 122 A CA 1.909 53.959 52.037 0.023 0.000 0.649 122 A CB -0.807 18.205 19.000 0.020 0.000 0.809 122 A HN 0.593 nan 8.150 nan 0.000 0.457 123 E N -0.934 119.274 120.200 0.013 0.000 2.107 123 E HA -0.207 4.149 4.350 0.010 0.000 0.191 123 E C 2.190 178.799 176.600 0.014 0.000 0.982 123 E CA 1.148 57.554 56.400 0.010 0.000 0.809 123 E CB -0.103 29.601 29.700 0.007 0.000 0.756 123 E HN 0.825 nan 8.360 nan 0.000 0.459 124 Q N 0.152 119.962 119.800 0.017 0.000 2.049 124 Q HA -0.153 4.193 4.340 0.010 0.000 0.198 124 Q C 2.206 178.225 176.000 0.032 0.000 0.971 124 Q CA 1.132 56.948 55.803 0.022 0.000 0.833 124 Q CB -0.161 28.587 28.738 0.018 0.000 0.896 124 Q HN 0.318 nan 8.270 nan 0.000 0.434 125 L N 0.453 121.699 121.223 0.039 0.000 2.046 125 L HA -0.156 4.190 4.340 0.010 0.000 0.208 125 L C 2.117 179.026 176.870 0.064 0.000 1.077 125 L CA 1.526 56.407 54.840 0.068 0.000 0.747 125 L CB -0.746 41.364 42.059 0.085 0.000 0.896 125 L HN 0.408 nan 8.230 nan 0.000 0.432 126 L N -0.508 120.730 121.223 0.026 0.000 2.012 126 L HA -0.228 4.118 4.340 0.010 0.000 0.210 126 L C 2.776 179.645 176.870 -0.001 0.000 1.073 126 L CA 2.297 57.129 54.840 -0.014 0.000 0.748 126 L CB -1.163 40.886 42.059 -0.016 0.000 0.891 126 L HN 0.662 nan 8.230 nan 0.000 0.431 127 S N -1.206 114.505 115.700 0.019 0.000 2.368 127 S HA -0.257 4.219 4.470 0.010 0.000 0.225 127 S C 1.797 176.431 174.600 0.057 0.000 1.030 127 S CA 1.106 59.324 58.200 0.030 0.000 0.999 127 S CB -0.445 62.772 63.200 0.027 0.000 0.844 127 S HN 0.505 nan 8.310 nan 0.000 0.459 128 Q N 1.100 120.942 119.800 0.071 0.000 2.079 128 Q HA 0.067 4.413 4.340 0.010 0.000 0.200 128 Q C 2.640 178.739 176.000 0.165 0.000 0.974 128 Q CA 1.342 57.209 55.803 0.107 0.000 0.840 128 Q CB -0.522 28.272 28.738 0.093 0.000 0.898 128 Q HN 0.772 nan 8.270 nan 0.000 0.430 129 A N 1.216 124.117 122.820 0.134 0.000 1.902 129 A HA -0.194 4.132 4.320 0.010 0.000 0.217 129 A C 1.987 179.639 177.584 0.113 0.000 1.181 129 A CA 1.249 53.358 52.037 0.119 0.000 0.623 129 A CB -0.372 18.473 19.000 -0.259 0.000 0.818 129 A HN 0.204 nan 8.150 nan 0.000 0.443 130 R N -0.623 119.907 120.500 0.051 0.000 2.081 130 R HA -0.165 4.181 4.340 0.010 0.000 0.235 130 R C 2.039 178.410 176.300 0.120 0.000 1.131 130 R CA 1.650 57.785 56.100 0.058 0.000 0.960 130 R CB -0.478 29.834 30.300 0.020 0.000 0.856 130 R HN 0.720 nan 8.270 nan 0.000 0.436 131 D N 0.137 120.619 120.400 0.136 0.000 2.104 131 D HA -0.217 4.429 4.640 0.010 0.000 0.194 131 D C 1.663 178.088 176.300 0.207 0.000 0.994 131 D CA 1.070 55.161 54.000 0.152 0.000 0.830 131 D CB -0.086 40.801 40.800 0.144 0.000 0.959 131 D HN 0.120 nan 8.370 nan 0.000 0.452 132 F N 0.850 120.889 119.950 0.148 0.000 2.102 132 F HA -0.106 4.427 4.527 0.009 0.000 0.298 132 F C 1.954 177.900 175.800 0.242 0.000 1.105 132 F CA 1.063 59.185 58.000 0.204 0.000 1.239 132 F CB -0.285 38.843 39.000 0.213 0.000 0.991 132 F HN 0.012 nan 8.300 nan 0.000 0.474 133 I N 0.876 121.461 120.570 0.025 0.000 2.286 133 I HA -0.304 3.872 4.170 0.010 0.000 0.248 133 I C 1.975 178.139 176.117 0.078 0.000 1.115 133 I CA 1.193 62.513 61.300 0.033 0.000 1.392 133 I CB -1.637 36.481 38.000 0.196 0.000 1.065 133 I HN 0.233 nan 8.210 nan 0.000 0.418 134 N N 0.843 119.612 118.700 0.115 0.000 2.166 134 N HA -0.178 4.568 4.740 0.010 0.000 0.186 134 N C 1.842 177.309 175.510 -0.073 0.000 1.019 134 N CA 1.025 54.126 53.050 0.085 0.000 0.856 134 N CB -0.302 38.275 38.487 0.149 0.000 0.993 134 N HN 0.503 nan 8.380 nan 0.000 0.426 135 Q N -0.549 119.214 119.800 -0.060 0.000 2.050 135 Q HA -0.170 4.176 4.340 0.010 0.000 0.202 135 Q C 1.778 177.564 176.000 -0.356 0.000 0.980 135 Q CA 1.223 56.990 55.803 -0.061 0.000 0.840 135 Q CB -0.249 28.587 28.738 0.163 0.000 0.898 135 Q HN 0.444 nan 8.270 nan 0.000 0.424 136 Y N -0.006 119.869 120.300 -0.708 0.000 2.145 136 Y HA -0.286 4.269 4.550 0.009 0.000 0.286 136 Y C 1.673 177.048 175.900 -0.876 0.000 1.145 136 Y CA 1.595 59.027 58.100 -1.113 0.000 1.148 136 Y CB -0.431 37.452 38.460 -0.962 0.000 0.981 136 Y HN 0.093 nan 8.280 nan 0.000 0.507 137 Y N -0.436 119.457 120.300 -0.678 0.000 2.421 137 Y HA -0.167 4.389 4.550 0.011 0.000 0.292 137 Y C 2.679 178.243 175.900 -0.559 0.000 1.136 137 Y CA 1.509 59.193 58.100 -0.694 0.000 1.255 137 Y CB -0.343 37.586 38.460 -0.885 0.000 0.991 137 Y HN 0.100 nan 8.280 nan 0.000 0.552 138 S N -0.845 114.628 115.700 -0.378 0.000 2.371 138 S HA -0.179 4.297 4.470 0.010 0.000 0.224 138 S C 2.253 176.675 174.600 -0.297 0.000 1.029 138 S CA 1.190 59.241 58.200 -0.249 0.000 0.978 138 S CB -0.545 62.565 63.200 -0.150 0.000 0.833 138 S HN 0.616 nan 8.310 nan 0.000 0.466 139 S N 2.526 117.954 115.700 -0.452 0.000 2.419 139 S HA -0.068 4.408 4.470 0.010 0.000 0.233 139 S C 1.549 175.911 174.600 -0.396 0.000 1.016 139 S CA 1.105 59.066 58.200 -0.398 0.000 0.974 139 S CB -0.809 62.030 63.200 -0.602 0.000 0.786 139 S HN 0.721 nan 8.310 nan 0.000 0.492 140 I N -3.256 116.983 120.570 -0.552 0.000 3.904 140 I HA 0.416 4.592 4.170 0.010 0.000 0.333 140 I C -0.443 175.511 176.117 -0.273 0.000 1.361 140 I CA -0.633 60.410 61.300 -0.430 0.000 1.116 140 I CB -0.067 37.575 38.000 -0.597 0.000 1.028 140 I HN -0.141 nan 8.210 nan 0.000 0.398 141 K N 2.438 122.701 120.400 -0.227 0.000 3.257 141 K HA -0.152 4.174 4.320 0.010 0.000 0.270 141 K C -0.157 176.386 176.600 -0.095 0.000 0.984 141 K CA 0.470 56.676 56.287 -0.134 0.000 0.739 141 K CB -1.492 30.950 32.500 -0.097 0.000 1.351 141 K HN 0.603 nan 8.250 nan 0.000 0.463 142 R N -0.749 119.698 120.500 -0.088 0.000 2.599 142 R HA 0.071 4.417 4.340 0.010 0.000 0.451 142 R C -0.006 176.330 176.300 0.061 0.000 0.988 142 R CA -0.297 55.809 56.100 0.011 0.000 1.085 142 R CB 0.903 31.245 30.300 0.070 0.000 1.452 142 R HN 0.193 nan 8.270 nan 0.000 0.596 143 S N -0.188 115.514 115.700 0.004 0.000 2.516 143 S HA 0.323 4.799 4.470 0.010 0.000 0.282 143 S C 1.335 176.034 174.600 0.166 0.000 1.286 143 S CA 1.477 59.714 58.200 0.062 0.000 1.066 143 S CB 0.448 63.657 63.200 0.015 0.000 0.884 143 S HN 0.732 nan 8.310 nan 0.000 0.491 144 G N 3.253 112.274 108.800 0.368 0.000 2.176 144 G HA2 -0.280 3.686 3.960 0.010 0.000 0.253 144 G HA3 -0.280 3.686 3.960 0.010 0.000 0.253 144 G C 0.279 175.197 174.900 0.030 0.000 0.979 144 G CA 0.372 45.531 45.100 0.099 0.000 0.641 144 G HN 1.598 nan 8.290 nan 0.000 0.530 145 S N -0.542 115.199 115.700 0.068 0.000 2.608 145 S HA 0.442 4.918 4.470 0.010 0.000 0.261 145 S C 1.348 175.935 174.600 -0.022 0.000 1.314 145 S CA 0.733 58.948 58.200 0.026 0.000 0.992 145 S CB 1.419 64.655 63.200 0.059 0.000 0.935 145 S HN 0.574 nan 8.310 nan 0.000 0.564 146 Q N 0.736 120.525 119.800 -0.018 0.000 2.096 146 Q HA -0.153 4.193 4.340 0.010 0.000 0.204 146 Q C 2.236 178.207 176.000 -0.049 0.000 0.982 146 Q CA 1.641 57.423 55.803 -0.035 0.000 0.850 146 Q CB -0.813 27.916 28.738 -0.014 0.000 0.901 146 Q HN 0.940 nan 8.270 nan 0.000 0.422 147 A N 0.178 122.992 122.820 -0.011 0.000 1.933 147 A HA -0.251 4.075 4.320 0.010 0.000 0.218 147 A C 1.896 179.352 177.584 -0.214 0.000 1.175 147 A CA 1.724 53.765 52.037 0.007 0.000 0.628 147 A CB -1.029 18.073 19.000 0.171 0.000 0.814 147 A HN 0.723 nan 8.150 nan 0.000 0.444 148 H N -0.823 117.885 119.070 -0.604 0.000 2.326 148 H HA -0.094 4.468 4.556 0.010 0.000 0.301 148 H C 1.811 176.819 175.328 -0.532 0.000 1.081 148 H CA 1.200 56.578 56.048 -1.116 0.000 1.334 148 H CB 0.142 29.441 29.762 -0.773 0.000 1.385 148 H HN 0.409 nan 8.280 nan 0.000 0.504 149 E N 0.636 120.631 120.200 -0.342 0.000 2.204 149 E HA -0.131 4.225 4.350 0.010 0.000 0.194 149 E C 2.001 178.495 176.600 -0.177 0.000 0.989 149 E CA 0.775 56.996 56.400 -0.298 0.000 0.824 149 E CB -0.015 29.554 29.700 -0.218 0.000 0.756 149 E HN 0.704 nan 8.360 nan 0.000 0.477 150 E N 0.468 120.590 120.200 -0.129 0.000 2.107 150 E HA -0.140 4.216 4.350 0.010 0.000 0.191 150 E C 2.150 178.725 176.600 -0.041 0.000 0.982 150 E CA 0.595 56.956 56.400 -0.065 0.000 0.809 150 E CB -0.012 29.671 29.700 -0.029 0.000 0.756 150 E HN -0.071 nan 8.360 nan 0.000 0.459 151 R N 1.361 121.832 120.500 -0.048 0.000 2.075 151 R HA -0.071 4.275 4.340 0.010 0.000 0.232 151 R C 2.079 178.379 176.300 0.001 0.000 1.126 151 R CA 1.097 57.214 56.100 0.029 0.000 0.963 151 R CB -0.519 29.854 30.300 0.122 0.000 0.858 151 R HN 0.136 nan 8.270 nan 0.000 0.435 152 L N 0.214 121.402 121.223 -0.059 0.000 2.046 152 L HA -0.221 4.125 4.340 0.010 0.000 0.208 152 L C 2.525 179.352 176.870 -0.071 0.000 1.077 152 L CA 1.708 56.504 54.840 -0.074 0.000 0.747 152 L CB -0.454 41.519 42.059 -0.143 0.000 0.896 152 L HN 0.345 nan 8.230 nan 0.000 0.432 153 Q N -0.475 119.285 119.800 -0.067 0.000 2.079 153 Q HA -0.253 4.093 4.340 0.010 0.000 0.200 153 Q C 2.145 178.130 176.000 -0.025 0.000 0.974 153 Q CA 1.526 57.300 55.803 -0.048 0.000 0.840 153 Q CB -0.142 28.570 28.738 -0.044 0.000 0.898 153 Q HN 0.468 nan 8.270 nan 0.000 0.430 154 E N 0.333 120.528 120.200 -0.008 0.000 2.058 154 E HA -0.193 4.163 4.350 0.010 0.000 0.194 154 E C 1.986 178.598 176.600 0.020 0.000 0.997 154 E CA 1.300 57.713 56.400 0.021 0.000 0.801 154 E CB 0.164 29.892 29.700 0.048 0.000 0.746 154 E HN 0.145 nan 8.360 nan 0.000 0.450 155 V N 1.261 121.163 119.914 -0.020 0.000 2.358 155 V HA -0.235 3.891 4.120 0.010 0.000 0.246 155 V C 2.019 178.045 176.094 -0.114 0.000 1.047 155 V CA 2.114 64.347 62.300 -0.112 0.000 1.035 155 V CB -0.471 31.175 31.823 -0.296 0.000 0.658 155 V HN 0.284 nan 8.190 nan 0.000 0.452 156 E N 0.319 120.467 120.200 -0.087 0.000 2.150 156 E HA -0.140 4.216 4.350 0.010 0.000 0.193 156 E C 2.269 178.858 176.600 -0.020 0.000 0.985 156 E CA 1.214 57.578 56.400 -0.060 0.000 0.814 156 E CB -0.290 29.378 29.700 -0.054 0.000 0.752 156 E HN 0.613 nan 8.360 nan 0.000 0.466 157 A N 1.386 124.203 122.820 -0.005 0.000 1.897 157 A HA -0.202 4.124 4.320 0.010 0.000 0.215 157 A C 2.074 179.679 177.584 0.036 0.000 1.181 157 A CA 1.369 53.414 52.037 0.013 0.000 0.620 157 A CB -0.337 18.671 19.000 0.014 0.000 0.821 157 A HN 0.241 nan 8.150 nan 0.000 0.443 158 E N -0.075 120.159 120.200 0.057 0.000 2.077 158 E HA -0.135 4.221 4.350 0.010 0.000 0.193 158 E C 1.756 178.421 176.600 0.109 0.000 0.989 158 E CA 1.504 57.966 56.400 0.102 0.000 0.800 158 E CB -0.115 29.685 29.700 0.166 0.000 0.746 158 E HN 0.288 nan 8.360 nan 0.000 0.452 159 V N 1.141 121.110 119.914 0.091 0.000 2.427 159 V HA -0.212 3.914 4.120 0.010 0.000 0.248 159 V C 2.452 178.580 176.094 0.056 0.000 1.051 159 V CA 1.615 63.968 62.300 0.088 0.000 1.048 159 V CB -0.666 31.190 31.823 0.056 0.000 0.666 159 V HN 0.458 nan 8.190 nan 0.000 0.456 160 A N 0.705 123.547 122.820 0.037 0.000 1.940 160 A HA -0.216 4.110 4.320 0.010 0.000 0.219 160 A C 2.499 180.102 177.584 0.032 0.000 1.176 160 A CA 2.507 54.560 52.037 0.027 0.000 0.631 160 A CB -0.540 18.470 19.000 0.016 0.000 0.814 160 A HN 0.689 nan 8.150 nan 0.000 0.446 161 S N -1.584 114.140 115.700 0.040 0.000 2.441 161 S HA -0.063 4.413 4.470 0.010 0.000 0.224 161 S C 1.818 176.447 174.600 0.047 0.000 1.043 161 S CA 1.393 59.617 58.200 0.040 0.000 0.948 161 S CB -0.693 62.531 63.200 0.039 0.000 0.810 161 S HN 0.743 nan 8.310 nan 0.000 0.504 162 T N -3.190 111.402 114.554 0.064 0.000 3.023 162 T HA 0.533 4.889 4.350 0.010 0.000 0.249 162 T C 1.707 176.447 174.700 0.066 0.000 1.050 162 T CA 0.941 63.084 62.100 0.071 0.000 1.088 162 T CB 0.027 68.956 68.868 0.102 0.000 0.946 162 T HN 1.199 nan 8.240 nan 0.000 0.480 163 G N 0.190 109.030 108.800 0.067 0.000 2.213 163 G HA2 -0.152 3.814 3.960 0.010 0.000 0.226 163 G HA3 -0.152 3.814 3.960 0.010 0.000 0.226 163 G C 0.218 175.159 174.900 0.069 0.000 0.992 163 G CA 0.450 45.584 45.100 0.056 0.000 0.632 163 G HN 0.978 nan 8.290 nan 0.000 0.511 164 T N -1.169 113.442 114.554 0.095 0.000 2.647 164 T HA 0.747 5.103 4.350 0.010 0.000 0.295 164 T C -1.122 173.702 174.700 0.206 0.000 1.126 164 T CA 0.417 62.575 62.100 0.097 0.000 1.040 164 T CB 1.563 70.410 68.868 -0.036 0.000 1.472 164 T HN 1.502 nan 8.240 nan 0.000 0.500 165 Y N -0.870 119.390 120.300 -0.067 0.000 2.744 165 Y HA 0.840 5.395 4.550 0.010 0.000 0.330 165 Y C -1.568 174.235 175.900 -0.163 0.000 1.263 165 Y CA -1.195 56.922 58.100 0.028 0.000 1.065 165 Y CB 0.890 39.385 38.460 0.057 0.000 1.306 165 Y HN 0.758 nan 8.280 nan 0.000 0.459 166 H N 0.473 119.575 119.070 0.054 0.000 2.747 166 H HA 0.646 5.208 4.556 0.010 0.000 0.371 166 H C -1.084 174.302 175.328 0.097 0.000 1.161 166 H CA -0.852 55.173 56.048 -0.039 0.000 1.167 166 H CB 2.003 31.779 29.762 0.024 0.000 1.732 166 H HN 0.721 nan 8.280 nan 0.000 0.544 167 L N 1.950 123.261 121.223 0.147 0.000 2.379 167 L HA 0.494 4.840 4.340 0.010 0.000 0.269 167 L C 0.605 177.554 176.870 0.132 0.000 1.084 167 L CA -0.727 54.220 54.840 0.178 0.000 0.802 167 L CB 0.882 43.025 42.059 0.139 0.000 1.175 167 L HN 0.421 nan 8.230 nan 0.000 0.448 168 R N 0.763 121.314 120.500 0.085 0.000 2.577 168 R HA 0.055 4.401 4.340 0.010 0.000 0.269 168 R C 1.037 177.335 176.300 -0.004 0.000 1.084 168 R CA -0.450 55.667 56.100 0.029 0.000 1.163 168 R CB 0.856 31.145 30.300 -0.018 0.000 1.100 168 R HN 0.659 nan 8.270 nan 0.000 0.547 169 E N 1.026 121.223 120.200 -0.004 0.000 2.049 169 E HA -0.265 4.091 4.350 0.010 0.000 0.198 169 E C 1.562 178.151 176.600 -0.018 0.000 1.007 169 E CA 2.344 58.736 56.400 -0.013 0.000 0.809 169 E CB 0.034 29.732 29.700 -0.003 0.000 0.749 169 E HN 0.680 nan 8.360 nan 0.000 0.450 170 S N 0.067 115.754 115.700 -0.021 0.000 2.419 170 S HA -0.172 4.304 4.470 0.010 0.000 0.233 170 S C 1.699 176.285 174.600 -0.023 0.000 1.016 170 S CA 1.310 59.520 58.200 0.017 0.000 0.974 170 S CB -0.306 62.937 63.200 0.071 0.000 0.786 170 S HN 0.347 nan 8.310 nan 0.000 0.492 171 E N 0.747 120.815 120.200 -0.220 0.000 2.107 171 E HA -0.010 4.346 4.350 0.010 0.000 0.191 171 E C 1.993 178.720 176.600 0.212 0.000 0.982 171 E CA 0.923 57.223 56.400 -0.167 0.000 0.809 171 E CB -0.290 29.320 29.700 -0.149 0.000 0.756 171 E HN 0.427 nan 8.360 nan 0.000 0.459 172 L N 0.875 122.133 121.223 0.059 0.000 2.027 172 L HA -0.142 4.204 4.340 0.010 0.000 0.206 172 L C 2.219 179.081 176.870 -0.014 0.000 1.074 172 L CA 1.349 56.165 54.840 -0.041 0.000 0.745 172 L CB -0.355 41.617 42.059 -0.145 0.000 0.898 172 L HN -0.070 nan 8.230 nan 0.000 0.433 173 V N -0.309 119.624 119.914 0.032 0.000 2.287 173 V HA -0.334 3.792 4.120 0.010 0.000 0.248 173 V C 2.357 178.540 176.094 0.149 0.000 1.053 173 V CA 2.256 64.588 62.300 0.053 0.000 1.027 173 V CB -0.981 30.878 31.823 0.061 0.000 0.646 173 V HN 0.575 nan 8.190 nan 0.000 0.447 174 F N 2.082 122.113 119.950 0.136 0.000 2.102 174 F HA -0.059 4.473 4.527 0.009 0.000 0.298 174 F C 2.183 178.116 175.800 0.221 0.000 1.105 174 F CA 1.790 59.920 58.000 0.217 0.000 1.239 174 F CB -0.991 38.212 39.000 0.339 0.000 0.991 174 F HN 0.123 nan 8.300 nan 0.000 0.474 175 G N -0.313 108.552 108.800 0.108 0.000 2.422 175 G HA2 -0.195 3.771 3.960 0.010 0.000 0.218 175 G HA3 -0.195 3.771 3.960 0.010 0.000 0.218 175 G C 1.791 176.551 174.900 -0.233 0.000 1.146 175 G CA 0.822 45.871 45.100 -0.086 0.000 0.769 175 G HN 0.653 nan 8.290 nan 0.000 0.547 176 A N 0.746 123.466 122.820 -0.166 0.000 1.898 176 A HA 0.068 4.394 4.320 0.010 0.000 0.216 176 A C 2.301 179.878 177.584 -0.013 0.000 1.181 176 A CA 1.806 53.754 52.037 -0.148 0.000 0.620 176 A CB -0.283 18.656 19.000 -0.101 0.000 0.819 176 A HN 0.362 nan 8.150 nan 0.000 0.442 177 K N -0.678 119.746 120.400 0.041 0.000 2.097 177 K HA -0.114 4.212 4.320 0.010 0.000 0.205 177 K C 2.251 178.892 176.600 0.069 0.000 1.050 177 K CA 1.220 57.633 56.287 0.210 0.000 0.938 177 K CB -0.119 32.560 32.500 0.298 0.000 0.718 177 K HN 0.364 nan 8.250 nan 0.000 0.442 178 Q N 0.257 119.920 119.800 -0.228 0.000 2.124 178 Q HA -0.083 4.263 4.340 0.010 0.000 0.202 178 Q C 2.184 178.039 176.000 -0.242 0.000 0.977 178 Q CA 1.450 57.026 55.803 -0.377 0.000 0.850 178 Q CB -0.256 28.130 28.738 -0.587 0.000 0.901 178 Q HN 0.319 nan 8.270 nan 0.000 0.429 179 A N 0.257 122.945 122.820 -0.220 0.000 1.908 179 A HA -0.194 4.132 4.320 0.010 0.000 0.218 179 A C 1.822 179.462 177.584 0.093 0.000 1.181 179 A CA 1.485 53.365 52.037 -0.262 0.000 0.627 179 A CB -0.989 17.541 19.000 -0.783 0.000 0.818 179 A HN 0.542 nan 8.150 nan 0.000 0.445 180 W N 0.906 122.236 121.300 0.050 0.000 2.379 180 W HA -0.108 4.556 4.660 0.008 0.000 0.307 180 W C 2.345 178.822 176.519 -0.071 0.000 1.200 180 W CA 1.475 58.856 57.345 0.060 0.000 1.297 180 W CB -0.704 28.778 29.460 0.036 0.000 1.140 180 W HN 0.375 nan 8.180 nan 0.000 0.507 181 R N 0.389 120.807 120.500 -0.137 0.000 2.105 181 R HA -0.197 4.149 4.340 0.010 0.000 0.239 181 R C 1.605 177.741 176.300 -0.274 0.000 1.135 181 R CA 1.890 57.696 56.100 -0.492 0.000 0.967 181 R CB -0.567 29.148 30.300 -0.974 0.000 0.861 181 R HN 0.089 nan 8.270 nan 0.000 0.442 182 N N 0.358 118.956 118.700 -0.171 0.000 2.463 182 N HA 0.010 4.756 4.740 0.010 0.000 0.181 182 N C -0.278 175.186 175.510 -0.076 0.000 1.078 182 N CA 0.713 53.688 53.050 -0.124 0.000 0.902 182 N CB 0.271 38.689 38.487 -0.115 0.000 0.970 182 N HN 0.184 nan 8.380 nan 0.000 0.451 183 A N 2.126 124.945 122.820 -0.002 0.000 2.473 183 A HA 0.200 4.526 4.320 0.010 0.000 0.282 183 A C -1.231 176.321 177.584 -0.053 0.000 1.163 183 A CA -0.885 51.145 52.037 -0.011 0.000 0.827 183 A CB 0.230 19.259 19.000 0.049 0.000 1.098 183 A HN 0.026 nan 8.150 nan 0.000 0.515 184 P HA -0.127 nan 4.420 nan 0.000 0.219 184 P C 1.027 178.258 177.300 -0.115 0.000 1.146 184 P CA 1.155 64.181 63.100 -0.123 0.000 0.808 184 P CB 0.152 31.745 31.700 -0.178 0.000 0.779 185 R N -2.124 118.267 120.500 -0.182 0.000 2.317 185 R HA 0.162 4.508 4.340 0.010 0.000 0.208 185 R C 0.160 176.442 176.300 -0.030 0.000 0.914 185 R CA -0.156 55.845 56.100 -0.164 0.000 1.060 185 R CB -0.424 29.558 30.300 -0.530 0.000 1.015 185 R HN 0.178 nan 8.270 nan 0.000 0.498 186 C N 0.502 119.780 119.300 -0.036 0.000 2.285 186 C HA 0.242 4.708 4.460 0.010 0.000 0.335 186 C C 1.804 176.750 174.990 -0.073 0.000 1.267 186 C CA -0.655 58.368 59.018 0.008 0.000 1.762 186 C CB 0.720 28.529 27.740 0.115 0.000 2.365 186 C HN 0.280 nan 8.230 nan 0.000 0.527 187 V N 5.854 125.684 119.914 -0.141 0.000 3.541 187 V HA 0.219 4.345 4.120 0.010 0.000 0.267 187 V C 1.756 177.875 176.094 0.042 0.000 1.213 187 V CA 1.974 64.096 62.300 -0.297 0.000 1.149 187 V CB -0.026 31.632 31.823 -0.276 0.000 0.822 187 V HN 1.072 nan 8.190 nan 0.000 0.462 188 G N -0.636 108.218 108.800 0.090 0.000 3.371 188 G HA2 0.051 4.017 3.960 0.010 0.000 0.248 188 G HA3 0.051 4.017 3.960 0.010 0.000 0.248 188 G C 1.197 176.147 174.900 0.084 0.000 1.161 188 G CA -0.355 44.814 45.100 0.115 0.000 0.796 188 G HN 0.422 nan 8.290 nan 0.000 0.539 189 R N -0.158 120.320 120.500 -0.037 0.000 2.377 189 R HA 0.106 4.452 4.340 0.010 0.000 0.207 189 R C 1.946 177.857 176.300 -0.649 0.000 1.075 189 R CA 0.158 55.957 56.100 -0.501 0.000 1.035 189 R CB -0.151 29.796 30.300 -0.589 0.000 0.857 189 R HN 0.457 nan 8.270 nan 0.000 0.475 190 I N 0.858 121.234 120.570 -0.323 0.000 2.756 190 I HA -0.226 3.950 4.170 0.010 0.000 0.262 190 I C 1.210 177.254 176.117 -0.122 0.000 1.225 190 I CA 1.205 62.454 61.300 -0.085 0.000 1.472 190 I CB 0.180 38.218 38.000 0.063 0.000 1.094 190 I HN 0.199 nan 8.210 nan 0.000 0.454 191 Q N 0.422 120.088 119.800 -0.222 0.000 2.319 191 Q HA -0.080 4.266 4.340 0.010 0.000 0.202 191 Q C 1.616 177.236 176.000 -0.633 0.000 0.896 191 Q CA 0.274 55.933 55.803 -0.240 0.000 0.942 191 Q CB -0.172 28.576 28.738 0.017 0.000 1.083 191 Q HN 0.778 nan 8.270 nan 0.000 0.510 192 W N 0.446 121.062 121.300 -1.141 0.000 2.292 192 W HA -0.175 4.493 4.660 0.013 0.000 0.304 192 W C 1.158 177.375 176.519 -0.503 0.000 1.228 192 W CA 1.331 57.849 57.345 -1.380 0.000 1.241 192 W CB -1.317 27.514 29.460 -1.049 0.000 1.142 192 W HN 0.088 nan 8.180 nan 0.000 0.520 193 G N 1.070 109.112 108.800 -1.263 0.000 2.650 193 G HA2 -0.214 3.752 3.960 0.010 0.000 0.214 193 G HA3 -0.214 3.752 3.960 0.010 0.000 0.214 193 G C 1.489 176.143 174.900 -0.410 0.000 1.136 193 G CA 0.455 44.915 45.100 -1.068 0.000 0.789 193 G HN 0.362 nan 8.290 nan 0.000 0.536 194 K N 0.010 120.275 120.400 -0.226 0.000 2.493 194 K HA 0.301 4.627 4.320 0.010 0.000 0.207 194 K C -0.011 176.649 176.600 0.100 0.000 1.033 194 K CA -0.661 55.603 56.287 -0.038 0.000 1.161 194 K CB -0.100 32.407 32.500 0.011 0.000 0.873 194 K HN 0.170 nan 8.250 nan 0.000 0.491 195 L N 2.057 123.378 121.223 0.164 0.000 2.380 195 L HA 0.143 4.489 4.340 0.010 0.000 0.273 195 L C -0.391 176.486 176.870 0.011 0.000 1.138 195 L CA 0.222 55.180 54.840 0.197 0.000 0.832 195 L CB 1.089 43.352 42.059 0.340 0.000 1.124 195 L HN 0.098 nan 8.230 nan 0.000 0.454 196 Q N 3.824 123.571 119.800 -0.089 0.000 2.360 196 Q HA 0.393 4.739 4.340 0.010 0.000 0.254 196 Q C -1.507 174.166 176.000 -0.546 0.000 0.975 196 Q CA -0.249 55.347 55.803 -0.346 0.000 0.912 196 Q CB 1.068 29.547 28.738 -0.432 0.000 1.212 196 Q HN 0.515 nan 8.270 nan 0.000 0.452 197 V N 6.309 125.940 119.914 -0.471 0.000 2.348 197 V HA 0.360 4.486 4.120 0.010 0.000 0.270 197 V C -0.590 175.220 176.094 -0.473 0.000 1.037 197 V CA -0.493 61.575 62.300 -0.387 0.000 0.872 197 V CB -0.011 31.696 31.823 -0.193 0.000 1.002 197 V HN 0.625 nan 8.190 nan 0.000 0.464 198 F N 2.801 122.634 119.950 -0.195 0.000 2.411 198 F HA 0.357 4.887 4.527 0.005 0.000 0.355 198 F C 0.600 176.232 175.800 -0.280 0.000 1.117 198 F CA -0.991 56.877 58.000 -0.221 0.000 1.139 198 F CB 0.835 39.703 39.000 -0.220 0.000 1.120 198 F HN 0.403 nan 8.300 nan 0.000 0.493 199 D N 3.131 123.495 120.400 -0.060 0.000 2.339 199 D HA 0.412 5.058 4.640 0.010 0.000 0.241 199 D C -0.032 176.095 176.300 -0.288 0.000 1.183 199 D CA 0.041 53.935 54.000 -0.176 0.000 0.859 199 D CB 1.216 41.955 40.800 -0.101 0.000 1.067 199 D HN 0.620 nan 8.370 nan 0.000 0.484 200 A N 4.611 127.108 122.820 -0.539 0.000 2.701 200 A HA 0.165 4.491 4.320 0.010 0.000 0.297 200 A C 1.394 178.713 177.584 -0.442 0.000 1.197 200 A CA -0.413 51.095 52.037 -0.883 0.000 0.963 200 A CB 0.031 17.968 19.000 -1.771 0.000 1.175 200 A HN 0.539 nan 8.150 nan 0.000 0.531 201 R N 0.594 120.956 120.500 -0.228 0.000 2.339 201 R HA -0.056 4.290 4.340 0.010 0.000 0.199 201 R C 0.432 176.717 176.300 -0.025 0.000 1.018 201 R CA 1.101 57.145 56.100 -0.094 0.000 1.036 201 R CB 0.081 30.376 30.300 -0.008 0.000 0.899 201 R HN 0.660 nan 8.270 nan 0.000 0.473 202 D N -1.120 119.282 120.400 0.004 0.000 2.369 202 D HA -0.047 4.599 4.640 0.010 0.000 0.211 202 D C 0.329 176.717 176.300 0.146 0.000 1.077 202 D CA -0.358 53.692 54.000 0.084 0.000 0.842 202 D CB -0.512 40.353 40.800 0.109 0.000 0.947 202 D HN -0.039 nan 8.370 nan 0.000 0.509 203 C N 1.957 121.343 119.300 0.143 0.000 2.596 203 C HA 0.316 4.782 4.460 0.010 0.000 0.414 203 C C 1.629 176.798 174.990 0.298 0.000 1.396 203 C CA 0.697 59.874 59.018 0.265 0.000 1.698 203 C CB -0.689 27.233 27.740 0.304 0.000 2.572 203 C HN 0.476 nan 8.230 nan 0.000 0.604 204 S N 2.522 118.423 115.700 0.335 0.000 2.819 204 S HA 0.335 4.811 4.470 0.010 0.000 0.249 204 S C -0.058 174.698 174.600 0.261 0.000 1.030 204 S CA 0.218 58.625 58.200 0.344 0.000 1.052 204 S CB -0.190 63.138 63.200 0.214 0.000 1.017 204 S HN 1.249 nan 8.310 nan 0.000 0.576 205 S N -0.477 115.384 115.700 0.269 0.000 2.615 205 S HA 0.806 5.282 4.470 0.010 0.000 0.269 205 S C 0.760 175.448 174.600 0.147 0.000 1.161 205 S CA -0.307 57.986 58.200 0.154 0.000 0.817 205 S CB 0.878 64.151 63.200 0.122 0.000 1.131 205 S HN 0.520 nan 8.310 nan 0.000 0.467 206 A N 0.623 123.500 122.820 0.096 0.000 1.930 206 A HA -0.028 4.298 4.320 0.010 0.000 0.217 206 A C 2.105 179.687 177.584 -0.004 0.000 1.175 206 A CA 2.071 54.155 52.037 0.079 0.000 0.627 206 A CB -1.184 17.916 19.000 0.166 0.000 0.815 206 A HN 0.903 nan 8.150 nan 0.000 0.443 207 Q N 0.377 120.250 119.800 0.122 0.000 2.084 207 Q HA -0.200 4.146 4.340 0.010 0.000 0.202 207 Q C 1.861 177.858 176.000 -0.004 0.000 0.978 207 Q CA 2.361 58.205 55.803 0.068 0.000 0.844 207 Q CB -0.399 28.462 28.738 0.204 0.000 0.898 207 Q HN 0.749 nan 8.270 nan 0.000 0.426 208 E N -0.857 119.383 120.200 0.067 0.000 2.150 208 E HA -0.160 4.196 4.350 0.010 0.000 0.193 208 E C 1.867 178.570 176.600 0.171 0.000 0.985 208 E CA 1.097 57.553 56.400 0.094 0.000 0.814 208 E CB -0.091 29.709 29.700 0.167 0.000 0.752 208 E HN 0.476 nan 8.360 nan 0.000 0.466 209 M N -0.227 119.449 119.600 0.127 0.000 2.149 209 M HA -0.136 4.350 4.480 0.010 0.000 0.261 209 M C 2.102 178.464 176.300 0.103 0.000 1.064 209 M CA 1.406 56.757 55.300 0.084 0.000 1.102 209 M CB -0.323 32.108 32.600 -0.281 0.000 1.369 209 M HN 0.218 nan 8.290 nan 0.000 0.408 210 F N 0.846 120.605 119.950 -0.319 0.000 2.134 210 F HA -0.220 4.314 4.527 0.012 0.000 0.299 210 F C 2.257 177.955 175.800 -0.170 0.000 1.097 210 F CA 1.569 59.328 58.000 -0.402 0.000 1.264 210 F CB -0.093 38.346 39.000 -0.935 0.000 1.001 210 F HN 0.030 nan 8.300 nan 0.000 0.479 211 T N -0.408 114.019 114.554 -0.212 0.000 2.708 211 T HA -0.241 4.115 4.350 0.010 0.000 0.266 211 T C 1.585 176.134 174.700 -0.251 0.000 1.037 211 T CA 1.881 63.801 62.100 -0.299 0.000 1.146 211 T CB -0.785 67.937 68.868 -0.243 0.000 0.865 211 T HN 0.367 nan 8.240 nan 0.000 0.435 212 Y N 0.829 121.088 120.300 -0.069 0.000 2.165 212 Y HA -0.084 4.471 4.550 0.008 0.000 0.286 212 Y C 2.303 178.162 175.900 -0.069 0.000 1.155 212 Y CA 0.810 58.878 58.100 -0.054 0.000 1.164 212 Y CB -0.322 38.194 38.460 0.094 0.000 0.978 212 Y HN 0.171 nan 8.280 nan 0.000 0.513 213 I N -1.519 119.135 120.570 0.139 0.000 2.252 213 I HA -0.350 3.826 4.170 0.010 0.000 0.245 213 I C 2.290 178.352 176.117 -0.091 0.000 1.102 213 I CA 0.892 62.214 61.300 0.037 0.000 1.385 213 I CB -0.473 37.547 38.000 0.034 0.000 1.064 213 I HN 0.316 nan 8.210 nan 0.000 0.414 214 C N 0.714 119.844 119.300 -0.285 0.000 2.425 214 C HA -0.126 4.340 4.460 0.010 0.000 0.277 214 C C 2.608 177.505 174.990 -0.155 0.000 1.280 214 C CA 0.766 59.606 59.018 -0.297 0.000 1.744 214 C CB -1.397 26.032 27.740 -0.518 0.000 1.989 214 C HN 0.543 nan 8.230 nan 0.000 0.491 215 N N -0.077 118.523 118.700 -0.167 0.000 2.166 215 N HA -0.135 4.611 4.740 0.010 0.000 0.186 215 N C 1.434 176.872 175.510 -0.120 0.000 1.019 215 N CA 1.347 54.297 53.050 -0.167 0.000 0.856 215 N CB -0.737 37.592 38.487 -0.264 0.000 0.993 215 N HN 0.752 nan 8.380 nan 0.000 0.426 216 H N 0.678 119.635 119.070 -0.189 0.000 2.293 216 H HA 0.048 4.611 4.556 0.012 0.000 0.300 216 H C 2.126 177.489 175.328 0.058 0.000 1.082 216 H CA 1.610 57.615 56.048 -0.072 0.000 1.308 216 H CB -0.059 29.696 29.762 -0.011 0.000 1.375 216 H HN 0.086 nan 8.280 nan 0.000 0.495 217 I N 0.592 121.315 120.570 0.255 0.000 2.208 217 I HA -0.271 3.905 4.170 0.010 0.000 0.245 217 I C 2.353 178.545 176.117 0.126 0.000 1.097 217 I CA 1.431 62.840 61.300 0.181 0.000 1.363 217 I CB -0.248 37.786 38.000 0.055 0.000 1.051 217 I HN 0.325 nan 8.210 nan 0.000 0.413 218 K N -0.080 120.366 120.400 0.076 0.000 2.025 218 K HA -0.219 4.107 4.320 0.010 0.000 0.207 218 K C 2.240 178.894 176.600 0.090 0.000 1.049 218 K CA 1.635 57.956 56.287 0.056 0.000 0.933 218 K CB -0.373 32.138 32.500 0.018 0.000 0.714 218 K HN 0.246 nan 8.250 nan 0.000 0.438 219 Y N 1.408 121.712 120.300 0.007 0.000 2.200 219 Y HA -0.199 4.353 4.550 0.004 0.000 0.290 219 Y C 2.193 178.139 175.900 0.077 0.000 1.137 219 Y CA 1.393 59.522 58.100 0.049 0.000 1.163 219 Y CB -0.271 38.244 38.460 0.092 0.000 0.988 219 Y HN 0.038 nan 8.280 nan 0.000 0.518 220 A N -0.752 122.217 122.820 0.249 0.000 1.898 220 A HA -0.155 4.171 4.320 0.010 0.000 0.216 220 A C 2.198 179.845 177.584 0.104 0.000 1.181 220 A CA 2.209 54.357 52.037 0.185 0.000 0.620 220 A CB -1.262 17.885 19.000 0.246 0.000 0.819 220 A HN 0.499 nan 8.150 nan 0.000 0.442 221 T N -0.210 114.402 114.554 0.097 0.000 2.777 221 T HA -0.093 4.263 4.350 0.010 0.000 0.266 221 T C 1.089 175.800 174.700 0.018 0.000 1.040 221 T CA 1.130 63.277 62.100 0.078 0.000 1.141 221 T CB -0.426 68.488 68.868 0.076 0.000 0.868 221 T HN 0.633 nan 8.240 nan 0.000 0.444 222 N N 1.288 119.968 118.700 -0.032 0.000 2.707 222 N HA -0.259 4.487 4.740 0.010 0.000 0.253 222 N C -0.262 175.223 175.510 -0.041 0.000 0.998 222 N CA 0.505 53.510 53.050 -0.075 0.000 0.751 222 N CB -1.318 37.083 38.487 -0.144 0.000 0.920 222 N HN 0.492 nan 8.380 nan 0.000 0.539 223 R N -2.215 118.273 120.500 -0.019 0.000 3.627 223 R HA -0.223 4.123 4.340 0.010 0.000 0.281 223 R C 1.311 177.599 176.300 -0.020 0.000 1.140 223 R CA 1.153 57.243 56.100 -0.017 0.000 0.761 223 R CB -1.910 28.375 30.300 -0.024 0.000 1.181 223 R HN 0.913 nan 8.270 nan 0.000 0.472 224 G N -0.560 108.236 108.800 -0.006 0.000 2.278 224 G HA2 -0.305 3.661 3.960 0.010 0.000 0.210 224 G HA3 -0.305 3.661 3.960 0.010 0.000 0.210 224 G C -0.055 174.837 174.900 -0.014 0.000 1.000 224 G CA 0.003 45.099 45.100 -0.007 0.000 0.635 224 G HN 0.372 nan 8.290 nan 0.000 0.495 225 N N 1.374 120.053 118.700 -0.034 0.000 3.234 225 N HA 0.509 5.255 4.740 0.010 0.000 0.272 225 N C 0.376 175.860 175.510 -0.044 0.000 1.254 225 N CA -0.507 52.504 53.050 -0.065 0.000 1.087 225 N CB -0.210 38.233 38.487 -0.073 0.000 1.356 225 N HN 0.212 nan 8.380 nan 0.000 0.511 226 L N 1.611 122.839 121.223 0.008 0.000 2.543 226 L HA 0.058 4.404 4.340 0.010 0.000 0.285 226 L C 0.784 177.769 176.870 0.192 0.000 1.236 226 L CA 1.066 55.982 54.840 0.127 0.000 0.871 226 L CB 0.154 42.379 42.059 0.277 0.000 1.121 226 L HN 0.346 nan 8.230 nan 0.000 0.501 227 R N 1.443 122.062 120.500 0.198 0.000 2.532 227 R HA 0.419 4.765 4.340 0.010 0.000 0.297 227 R C -0.623 175.835 176.300 0.265 0.000 0.984 227 R CA -0.671 55.568 56.100 0.230 0.000 0.884 227 R CB 1.626 31.939 30.300 0.022 0.000 1.182 227 R HN 0.580 nan 8.270 nan 0.000 0.442 228 S N 1.567 117.426 115.700 0.264 0.000 2.549 228 S HA 0.396 4.872 4.470 0.010 0.000 0.286 228 S C -0.124 174.523 174.600 0.079 0.000 1.314 228 S CA -0.083 58.174 58.200 0.096 0.000 1.062 228 S CB 1.050 64.276 63.200 0.044 0.000 0.865 228 S HN 0.714 nan 8.310 nan 0.000 0.498 229 A N 2.542 125.368 122.820 0.009 0.000 2.610 229 A HA 0.828 5.154 4.320 0.010 0.000 0.291 229 A C -1.313 176.302 177.584 0.051 0.000 1.086 229 A CA -0.684 51.304 52.037 -0.082 0.000 0.677 229 A CB 1.183 20.078 19.000 -0.174 0.000 1.278 229 A HN 0.801 nan 8.150 nan 0.000 0.414 230 I N 0.215 120.811 120.570 0.044 0.000 2.752 230 I HA 0.632 4.808 4.170 0.010 0.000 0.295 230 I C -1.239 174.992 176.117 0.190 0.000 1.219 230 I CA -0.112 61.330 61.300 0.236 0.000 1.030 230 I CB 2.421 40.510 38.000 0.148 0.000 1.259 230 I HN 0.599 nan 8.210 nan 0.000 0.423 231 T N 6.286 120.966 114.554 0.209 0.000 2.786 231 T HA 0.465 4.821 4.350 0.010 0.000 0.283 231 T C -0.750 173.743 174.700 -0.345 0.000 0.992 231 T CA -0.354 61.715 62.100 -0.052 0.000 0.954 231 T CB 1.448 70.264 68.868 -0.087 0.000 0.934 231 T HN 0.264 nan 8.240 nan 0.000 0.440 232 V N 5.094 124.741 119.914 -0.445 0.000 2.370 232 V HA 0.507 4.633 4.120 0.010 0.000 0.279 232 V C -0.437 175.327 176.094 -0.551 0.000 1.029 232 V CA -0.777 61.261 62.300 -0.437 0.000 0.870 232 V CB 0.242 31.784 31.823 -0.469 0.000 0.984 232 V HN 0.708 nan 8.190 nan 0.000 0.451 233 F N 4.880 124.726 119.950 -0.173 0.000 2.375 233 F HA 0.542 5.076 4.527 0.012 0.000 0.317 233 F C -1.884 173.795 175.800 -0.202 0.000 1.124 233 F CA -2.577 55.244 58.000 -0.298 0.000 1.050 233 F CB 0.352 39.161 39.000 -0.318 0.000 1.314 233 F HN 0.290 nan 8.300 nan 0.000 0.511 234 P HA -0.029 nan 4.420 nan 0.000 0.263 234 P C -0.948 176.380 177.300 0.045 0.000 1.175 234 P CA -0.008 63.019 63.100 -0.121 0.000 0.761 234 P CB 0.179 31.688 31.700 -0.317 0.000 0.794 235 Q N 3.484 123.262 119.800 -0.037 0.000 2.535 235 Q HA 0.154 4.500 4.340 0.010 0.000 0.228 235 Q C -0.296 175.603 176.000 -0.168 0.000 1.062 235 Q CA -0.346 55.208 55.803 -0.414 0.000 0.967 235 Q CB 0.504 28.701 28.738 -0.902 0.000 1.273 235 Q HN 0.331 nan 8.270 nan 0.000 0.554 236 R N 0.003 120.379 120.500 -0.206 0.000 2.543 236 R HA 0.440 4.786 4.340 0.010 0.000 0.277 236 R C -0.618 175.624 176.300 -0.096 0.000 1.074 236 R CA 0.241 56.292 56.100 -0.083 0.000 1.076 236 R CB 0.725 30.970 30.300 -0.092 0.000 0.993 236 R HN 0.689 nan 8.270 nan 0.000 0.459 237 A N 4.025 126.831 122.820 -0.024 0.000 2.384 237 A HA 0.544 4.870 4.320 0.010 0.000 0.312 237 A C -2.401 175.178 177.584 -0.008 0.000 1.113 237 A CA -2.145 49.882 52.037 -0.016 0.000 0.779 237 A CB 0.956 19.978 19.000 0.036 0.000 1.307 237 A HN 0.441 nan 8.150 nan 0.000 0.436 238 P HA 0.130 nan 4.420 nan 0.000 0.253 238 P C 0.941 178.246 177.300 0.007 0.000 1.159 238 P CA 2.222 65.324 63.100 0.002 0.000 0.779 238 P CB 0.053 31.761 31.700 0.013 0.000 0.745 239 G N 2.623 111.424 108.800 0.002 0.000 2.379 239 G HA2 -0.307 3.659 3.960 0.010 0.000 0.297 239 G HA3 -0.307 3.659 3.960 0.010 0.000 0.297 239 G C 0.232 175.135 174.900 0.006 0.000 1.004 239 G CA 0.072 45.175 45.100 0.004 0.000 0.921 239 G HN 0.705 nan 8.290 nan 0.000 0.511 240 R N -0.320 120.183 120.500 0.006 0.000 2.803 240 R HA 0.606 4.952 4.340 0.010 0.000 0.276 240 R C 0.852 177.152 176.300 -0.001 0.000 0.978 240 R CA -0.173 55.930 56.100 0.006 0.000 0.939 240 R CB 1.020 31.331 30.300 0.018 0.000 1.179 240 R HN 0.355 nan 8.270 nan 0.000 0.472 241 G N 1.642 110.433 108.800 -0.015 0.000 2.554 241 G HA2 0.050 4.016 3.960 0.010 0.000 0.238 241 G HA3 0.050 4.016 3.960 0.010 0.000 0.238 241 G C -0.568 174.314 174.900 -0.029 0.000 1.259 241 G CA -0.308 44.778 45.100 -0.024 0.000 0.843 241 G HN 0.596 nan 8.290 nan 0.000 0.582 242 D N -0.188 120.210 120.400 -0.002 0.000 2.348 242 D HA 0.336 4.982 4.640 0.010 0.000 0.249 242 D C -0.253 176.068 176.300 0.034 0.000 1.110 242 D CA -0.016 54.016 54.000 0.053 0.000 0.967 242 D CB 1.036 41.875 40.800 0.064 0.000 1.139 242 D HN 0.137 nan 8.370 nan 0.000 0.466 243 F N 1.032 121.005 119.950 0.038 0.000 2.410 243 F HA 0.331 4.864 4.527 0.011 0.000 0.348 243 F C 0.980 176.804 175.800 0.040 0.000 1.106 243 F CA -0.011 58.000 58.000 0.019 0.000 1.163 243 F CB 0.712 39.714 39.000 0.004 0.000 1.129 243 F HN -0.209 nan 8.300 nan 0.000 0.516 244 R N 3.728 124.351 120.500 0.206 0.000 2.698 244 R HA 0.523 4.869 4.340 0.010 0.000 0.275 244 R C -1.316 175.135 176.300 0.251 0.000 1.001 244 R CA -0.861 55.370 56.100 0.218 0.000 0.896 244 R CB 2.286 32.721 30.300 0.226 0.000 1.218 244 R HN 0.629 nan 8.270 nan 0.000 0.462 245 I N 2.067 122.772 120.570 0.226 0.000 2.355 245 I HA 0.169 4.345 4.170 0.010 0.000 0.288 245 I C 0.442 176.763 176.117 0.341 0.000 0.999 245 I CA -0.426 61.007 61.300 0.222 0.000 1.163 245 I CB 1.287 39.362 38.000 0.124 0.000 1.316 245 I HN 0.535 nan 8.210 nan 0.000 0.454 246 W N 3.524 124.868 121.300 0.073 0.000 2.388 246 W HA -0.073 4.593 4.660 0.010 0.000 0.294 246 W C 0.976 177.609 176.519 0.189 0.000 1.212 246 W CA 0.092 57.547 57.345 0.182 0.000 1.271 246 W CB -0.828 28.731 29.460 0.164 0.000 1.126 246 W HN 0.403 nan 8.180 nan 0.000 0.535 247 N N 0.068 118.936 118.700 0.281 0.000 2.479 247 N HA 0.006 4.752 4.740 0.010 0.000 0.257 247 N C 1.345 176.923 175.510 0.113 0.000 1.232 247 N CA 0.886 54.023 53.050 0.144 0.000 0.920 247 N CB 0.683 39.192 38.487 0.036 0.000 1.105 247 N HN -0.093 nan 8.380 nan 0.000 0.444 248 S N 0.570 116.326 115.700 0.092 0.000 2.436 248 S HA -0.034 4.442 4.470 0.010 0.000 0.228 248 S C 0.311 174.913 174.600 0.003 0.000 1.014 248 S CA 0.687 58.929 58.200 0.071 0.000 0.950 248 S CB 0.058 63.318 63.200 0.100 0.000 0.784 248 S HN 0.658 nan 8.310 nan 0.000 0.504 249 Q N -0.883 118.898 119.800 -0.031 0.000 2.462 249 Q HA 0.491 4.837 4.340 0.010 0.000 0.285 249 Q C 0.110 176.027 176.000 -0.137 0.000 1.035 249 Q CA -0.569 55.172 55.803 -0.103 0.000 0.799 249 Q CB 1.858 30.555 28.738 -0.068 0.000 1.452 249 Q HN 0.104 nan 8.270 nan 0.000 0.404 250 L N 0.019 121.135 121.223 -0.179 0.000 2.141 250 L HA 0.022 4.368 4.340 0.010 0.000 0.209 250 L C 0.385 177.115 176.870 -0.233 0.000 1.094 250 L CA 0.857 55.596 54.840 -0.169 0.000 0.763 250 L CB 0.103 42.056 42.059 -0.177 0.000 0.908 250 L HN 0.245 nan 8.230 nan 0.000 0.437 251 V N 0.996 120.688 119.914 -0.370 0.000 2.444 251 V HA 0.508 4.634 4.120 0.010 0.000 0.294 251 V C -0.386 175.181 176.094 -0.878 0.000 1.022 251 V CA -0.688 61.221 62.300 -0.652 0.000 0.850 251 V CB 1.648 32.946 31.823 -0.876 0.000 0.992 251 V HN 0.162 nan 8.190 nan 0.000 0.426 252 R N 2.812 122.924 120.500 -0.647 0.000 2.643 252 R HA 0.484 4.830 4.340 0.010 0.000 0.269 252 R C -1.763 174.349 176.300 -0.313 0.000 1.037 252 R CA -0.805 55.049 56.100 -0.410 0.000 0.894 252 R CB 2.094 32.308 30.300 -0.144 0.000 1.238 252 R HN 0.554 nan 8.270 nan 0.000 0.459 253 Y N 0.410 120.709 120.300 -0.001 0.000 2.310 253 Y HA 0.470 5.026 4.550 0.010 0.000 0.326 253 Y C 1.071 176.937 175.900 -0.057 0.000 1.151 253 Y CA -0.495 57.612 58.100 0.011 0.000 1.195 253 Y CB 1.055 39.580 38.460 0.108 0.000 1.210 253 Y HN 0.699 nan 8.280 nan 0.000 0.483 254 A N 1.663 124.518 122.820 0.059 0.000 2.466 254 A HA 0.527 4.853 4.320 0.010 0.000 0.238 254 A C 0.600 177.954 177.584 -0.384 0.000 1.074 254 A CA 0.318 52.222 52.037 -0.222 0.000 0.774 254 A CB -0.278 18.521 19.000 -0.336 0.000 1.015 254 A HN 0.952 nan 8.150 nan 0.000 0.498 255 G N 0.480 109.021 108.800 -0.431 0.000 2.728 255 G HA2 0.540 4.506 3.960 0.010 0.000 0.296 255 G HA3 0.540 4.506 3.960 0.010 0.000 0.296 255 G C -1.044 173.680 174.900 -0.294 0.000 1.401 255 G CA -0.268 44.641 45.100 -0.318 0.000 1.007 255 G HN 0.555 nan 8.290 nan 0.000 0.527 256 Y N 1.582 121.894 120.300 0.019 0.000 2.335 256 Y HA 0.464 5.020 4.550 0.010 0.000 0.339 256 Y C 0.899 176.798 175.900 -0.001 0.000 0.987 256 Y CA -1.100 57.012 58.100 0.020 0.000 1.140 256 Y CB 1.531 39.999 38.460 0.014 0.000 1.173 256 Y HN 0.451 nan 8.280 nan 0.000 0.486 257 R N 3.089 123.678 120.500 0.148 0.000 2.401 257 R HA 0.110 4.456 4.340 0.010 0.000 0.299 257 R C -0.403 175.938 176.300 0.070 0.000 1.064 257 R CA -0.050 56.098 56.100 0.079 0.000 1.000 257 R CB 0.309 30.644 30.300 0.057 0.000 0.973 257 R HN 0.569 nan 8.270 nan 0.000 0.438 258 Q N 2.121 121.949 119.800 0.046 0.000 2.180 258 Q HA 0.054 4.400 4.340 0.010 0.000 0.241 258 Q C 0.377 176.387 176.000 0.015 0.000 0.970 258 Q CA -0.499 55.320 55.803 0.027 0.000 0.919 258 Q CB 1.288 30.038 28.738 0.021 0.000 1.222 258 Q HN 0.585 nan 8.270 nan 0.000 0.482 259 Q N 1.493 121.296 119.800 0.005 0.000 2.050 259 Q HA -0.190 4.156 4.340 0.010 0.000 0.202 259 Q C 0.759 176.761 176.000 0.003 0.000 0.980 259 Q CA 2.581 58.385 55.803 0.002 0.000 0.840 259 Q CB -0.252 28.483 28.738 -0.005 0.000 0.898 259 Q HN 0.747 nan 8.270 nan 0.000 0.424 260 D N -1.898 118.504 120.400 0.003 0.000 2.392 260 D HA 0.057 4.703 4.640 0.010 0.000 0.228 260 D C 1.146 177.450 176.300 0.007 0.000 1.003 260 D CA 1.001 55.004 54.000 0.004 0.000 0.917 260 D CB -0.250 40.552 40.800 0.003 0.000 0.890 260 D HN 0.484 nan 8.370 nan 0.000 0.532 261 G N -0.486 108.320 108.800 0.010 0.000 2.213 261 G HA2 -0.288 3.679 3.960 0.010 0.000 0.226 261 G HA3 -0.288 3.679 3.960 0.010 0.000 0.226 261 G C 0.624 175.531 174.900 0.013 0.000 0.992 261 G CA 0.294 45.401 45.100 0.012 0.000 0.632 261 G HN 0.799 nan 8.290 nan 0.000 0.511 262 S N -0.840 114.867 115.700 0.012 0.000 2.625 262 S HA 0.730 5.207 4.470 0.010 0.000 0.258 262 S C 0.108 174.714 174.600 0.011 0.000 1.256 262 S CA 0.209 58.414 58.200 0.009 0.000 0.983 262 S CB 1.960 65.164 63.200 0.007 0.000 1.032 262 S HN 1.198 nan 8.310 nan 0.000 0.572 263 V N 0.693 120.606 119.914 -0.002 0.000 2.686 263 V HA 0.537 4.663 4.120 0.010 0.000 0.306 263 V C -0.286 175.793 176.094 -0.026 0.000 1.065 263 V CA -0.773 61.523 62.300 -0.007 0.000 0.894 263 V CB 1.751 33.551 31.823 -0.037 0.000 1.004 263 V HN 0.926 nan 8.190 nan 0.000 0.424 264 R N 2.644 123.157 120.500 0.023 0.000 2.255 264 R HA 0.707 5.053 4.340 0.010 0.000 0.326 264 R C 0.496 176.774 176.300 -0.036 0.000 0.986 264 R CA 0.857 56.971 56.100 0.024 0.000 0.847 264 R CB 1.183 31.556 30.300 0.121 0.000 1.111 264 R HN 1.229 nan 8.270 nan 0.000 0.452 265 G N 2.935 111.620 108.800 -0.193 0.000 2.443 265 G HA2 -0.229 3.737 3.960 0.010 0.000 0.209 265 G HA3 -0.229 3.737 3.960 0.010 0.000 0.209 265 G C -1.428 173.104 174.900 -0.614 0.000 1.176 265 G CA -0.181 44.732 45.100 -0.311 0.000 1.074 265 G HN 0.606 nan 8.290 nan 0.000 0.577 266 D N 1.581 121.746 120.400 -0.392 0.000 2.412 266 D HA 0.583 5.229 4.640 0.010 0.000 0.224 266 D C -1.110 175.081 176.300 -0.182 0.000 1.093 266 D CA -2.011 51.770 54.000 -0.365 0.000 0.850 266 D CB 1.553 42.426 40.800 0.123 0.000 1.046 266 D HN -0.021 nan 8.370 nan 0.000 0.507 267 P HA -0.120 nan 4.420 nan 0.000 0.218 267 P C 0.900 178.200 177.300 0.001 0.000 1.146 267 P CA 0.989 64.045 63.100 -0.074 0.000 0.813 267 P CB 0.286 31.953 31.700 -0.055 0.000 0.778 268 A N -0.574 122.267 122.820 0.035 0.000 2.067 268 A HA -0.113 4.213 4.320 0.010 0.000 0.219 268 A C 1.481 179.111 177.584 0.077 0.000 1.158 268 A CA 1.269 53.360 52.037 0.089 0.000 0.661 268 A CB -0.796 18.285 19.000 0.134 0.000 0.801 268 A HN 0.167 nan 8.150 nan 0.000 0.452 269 N N -0.180 118.546 118.700 0.043 0.000 2.321 269 N HA 0.172 4.918 4.740 0.010 0.000 0.242 269 N C 0.931 176.429 175.510 -0.021 0.000 1.141 269 N CA 0.094 53.156 53.050 0.021 0.000 0.864 269 N CB 0.793 39.289 38.487 0.016 0.000 1.100 269 N HN 0.193 nan 8.380 nan 0.000 0.510 270 V N 0.770 120.677 119.914 -0.011 0.000 2.307 270 V HA -0.221 3.905 4.120 0.010 0.000 0.245 270 V C 2.457 178.540 176.094 -0.019 0.000 1.045 270 V CA 1.767 64.057 62.300 -0.016 0.000 1.024 270 V CB -0.258 31.566 31.823 0.003 0.000 0.651 270 V HN 0.380 nan 8.190 nan 0.000 0.449 271 E N -0.064 120.124 120.200 -0.020 0.000 2.051 271 E HA -0.266 4.090 4.350 0.010 0.000 0.192 271 E C 2.122 178.613 176.600 -0.181 0.000 0.991 271 E CA 1.792 58.144 56.400 -0.079 0.000 0.799 271 E CB -0.210 29.472 29.700 -0.030 0.000 0.748 271 E HN 0.480 nan 8.360 nan 0.000 0.449 272 I N 0.756 121.237 120.570 -0.148 0.000 2.315 272 I HA -0.199 3.977 4.170 0.010 0.000 0.248 272 I C 2.009 178.061 176.117 -0.109 0.000 1.117 272 I CA 1.575 62.772 61.300 -0.172 0.000 1.404 272 I CB -0.427 37.535 38.000 -0.064 0.000 1.071 272 I HN 0.100 nan 8.210 nan 0.000 0.419 273 T N 0.552 115.068 114.554 -0.062 0.000 2.746 273 T HA -0.165 4.191 4.350 0.010 0.000 0.267 273 T C 1.712 176.477 174.700 0.109 0.000 1.039 273 T CA 1.832 63.940 62.100 0.013 0.000 1.142 273 T CB -0.271 68.600 68.868 0.005 0.000 0.866 273 T HN 0.498 nan 8.240 nan 0.000 0.444 274 E N 0.725 120.955 120.200 0.050 0.000 2.150 274 E HA 0.013 4.369 4.350 0.010 0.000 0.193 274 E C 2.223 178.854 176.600 0.053 0.000 0.985 274 E CA 0.617 57.055 56.400 0.064 0.000 0.814 274 E CB -0.241 29.471 29.700 0.021 0.000 0.752 274 E HN 0.409 nan 8.360 nan 0.000 0.466 275 L N 0.428 121.640 121.223 -0.018 0.000 2.093 275 L HA -0.203 4.143 4.340 0.010 0.000 0.208 275 L C 2.547 179.509 176.870 0.153 0.000 1.085 275 L CA 0.724 55.585 54.840 0.035 0.000 0.755 275 L CB -0.335 41.650 42.059 -0.125 0.000 0.904 275 L HN 0.301 nan 8.230 nan 0.000 0.435 276 C N -0.110 119.233 119.300 0.071 0.000 2.429 276 C HA -0.148 4.318 4.460 0.010 0.000 0.277 276 C C 2.708 177.862 174.990 0.274 0.000 1.262 276 C CA 0.467 59.540 59.018 0.091 0.000 1.733 276 C CB -0.615 27.088 27.740 -0.062 0.000 2.010 276 C HN 0.421 nan 8.230 nan 0.000 0.483 277 I N 0.480 121.233 120.570 0.304 0.000 2.179 277 I HA -0.274 3.902 4.170 0.010 0.000 0.242 277 I C 2.633 178.825 176.117 0.124 0.000 1.088 277 I CA 1.586 63.031 61.300 0.241 0.000 1.357 277 I CB -0.719 37.389 38.000 0.180 0.000 1.051 277 I HN 0.449 nan 8.210 nan 0.000 0.409 278 Q N -0.166 119.690 119.800 0.093 0.000 2.297 278 Q HA -0.228 4.118 4.340 0.010 0.000 0.208 278 Q C 1.042 176.955 176.000 -0.145 0.000 0.981 278 Q CA 1.311 57.101 55.803 -0.021 0.000 0.876 278 Q CB -0.187 28.532 28.738 -0.032 0.000 0.921 278 Q HN 0.637 nan 8.270 nan 0.000 0.446 279 H N -1.746 117.314 119.070 -0.016 0.000 2.507 279 H HA 0.240 4.802 4.556 0.010 0.000 0.294 279 H C 0.814 176.119 175.328 -0.039 0.000 1.064 279 H CA 0.531 56.544 56.048 -0.059 0.000 1.138 279 H CB 0.782 30.465 29.762 -0.132 0.000 1.515 279 H HN 0.374 nan 8.280 nan 0.000 0.547 280 G N -0.373 108.467 108.800 0.065 0.000 2.179 280 G HA2 -0.261 3.705 3.960 0.010 0.000 0.220 280 G HA3 -0.261 3.705 3.960 0.010 0.000 0.220 280 G C -0.003 174.965 174.900 0.114 0.000 0.990 280 G CA -0.195 44.934 45.100 0.048 0.000 0.646 280 G HN 0.364 nan 8.290 nan 0.000 0.517 281 W N 2.772 124.054 121.300 -0.030 0.000 2.216 281 W HA 0.623 5.290 4.660 0.010 0.000 0.326 281 W C 0.229 176.742 176.519 -0.009 0.000 1.319 281 W CA 0.431 57.761 57.345 -0.024 0.000 1.213 281 W CB 0.759 30.213 29.460 -0.009 0.000 1.171 281 W HN 0.031 nan 8.180 nan 0.000 0.557 282 T N 9.719 123.951 114.554 -0.536 0.000 2.747 282 T HA 0.194 4.550 4.350 0.010 0.000 0.301 282 T C -2.045 171.926 174.700 -1.215 0.000 0.952 282 T CA -0.926 60.811 62.100 -0.605 0.000 0.983 282 T CB 0.401 69.060 68.868 -0.348 0.000 0.930 282 T HN 0.246 nan 8.240 nan 0.000 0.494 283 P HA 0.274 nan 4.420 nan 0.000 0.272 283 P C 0.390 177.288 177.300 -0.669 0.000 1.223 283 P CA -0.216 62.182 63.100 -1.170 0.000 0.784 283 P CB 0.926 32.338 31.700 -0.480 0.000 0.923 284 G N 0.820 109.368 108.800 -0.419 0.000 2.641 284 G HA2 0.329 4.295 3.960 0.010 0.000 0.239 284 G HA3 0.329 4.295 3.960 0.010 0.000 0.239 284 G C 0.074 174.678 174.900 -0.493 0.000 1.402 284 G CA -0.662 44.299 45.100 -0.232 0.000 1.046 284 G HN 0.770 nan 8.290 nan 0.000 0.565 285 N N -1.599 116.934 118.700 -0.279 0.000 2.286 285 N HA 0.242 4.988 4.740 0.010 0.000 0.245 285 N C 0.475 175.974 175.510 -0.019 0.000 1.363 285 N CA -0.388 52.443 53.050 -0.365 0.000 0.822 285 N CB 0.806 39.129 38.487 -0.274 0.000 1.345 285 N HN 0.656 nan 8.380 nan 0.000 0.494 286 G N 0.509 109.415 108.800 0.176 0.000 2.535 286 G HA2 0.203 4.169 3.960 0.010 0.000 0.303 286 G HA3 0.203 4.169 3.960 0.010 0.000 0.303 286 G C 0.234 175.250 174.900 0.192 0.000 1.237 286 G CA -0.672 44.537 45.100 0.182 0.000 0.986 286 G HN 0.178 nan 8.290 nan 0.000 0.494 287 R N -1.279 119.248 120.500 0.045 0.000 2.254 287 R HA 0.192 4.538 4.340 0.010 0.000 0.195 287 R C -0.040 175.878 176.300 -0.637 0.000 0.957 287 R CA 0.378 56.338 56.100 -0.233 0.000 1.024 287 R CB 0.033 30.163 30.300 -0.282 0.000 0.952 287 R HN 0.401 nan 8.270 nan 0.000 0.484 288 F N 0.885 120.792 119.950 -0.072 0.000 2.623 288 F HA 0.288 4.821 4.527 0.010 0.000 0.361 288 F C -0.957 174.829 175.800 -0.023 0.000 1.469 288 F CA -1.062 56.660 58.000 -0.463 0.000 1.126 288 F CB 0.805 39.372 39.000 -0.722 0.000 1.221 288 F HN -0.256 nan 8.300 nan 0.000 0.536 289 D N 1.581 122.159 120.400 0.297 0.000 2.295 289 D HA 0.194 4.840 4.640 0.010 0.000 0.248 289 D C 0.180 176.732 176.300 0.419 0.000 1.154 289 D CA 0.099 54.331 54.000 0.388 0.000 0.857 289 D CB 2.323 43.397 40.800 0.457 0.000 1.117 289 D HN -0.062 nan 8.370 nan 0.000 0.468 290 V N 3.855 123.973 119.914 0.340 0.000 2.521 290 V HA 0.023 4.149 4.120 0.010 0.000 0.286 290 V C 0.967 177.066 176.094 0.008 0.000 1.034 290 V CA -0.276 62.096 62.300 0.120 0.000 1.045 290 V CB 0.302 32.156 31.823 0.051 0.000 0.974 290 V HN 0.334 nan 8.190 nan 0.000 0.480 291 L N 8.179 129.308 121.223 -0.157 0.000 2.453 291 L HA 0.384 4.730 4.340 0.010 0.000 0.261 291 L C -1.701 174.922 176.870 -0.411 0.000 1.179 291 L CA -1.344 53.256 54.840 -0.399 0.000 0.813 291 L CB 0.932 42.774 42.059 -0.362 0.000 1.110 291 L HN 0.491 nan 8.230 nan 0.000 0.466 292 P HA 0.297 nan 4.420 nan 0.000 0.280 292 P C -1.261 175.863 177.300 -0.293 0.000 1.272 292 P CA -0.579 62.257 63.100 -0.440 0.000 0.819 292 P CB 1.157 32.460 31.700 -0.662 0.000 1.122 293 L N 0.915 122.054 121.223 -0.139 0.000 2.325 293 L HA 0.431 4.777 4.340 0.010 0.000 0.279 293 L C 0.420 177.251 176.870 -0.064 0.000 1.054 293 L CA -0.789 54.017 54.840 -0.056 0.000 0.804 293 L CB 0.710 42.806 42.059 0.060 0.000 1.200 293 L HN 0.205 nan 8.230 nan 0.000 0.436 294 L N 4.986 126.156 121.223 -0.088 0.000 2.301 294 L HA 0.471 4.817 4.340 0.010 0.000 0.278 294 L C -0.658 176.109 176.870 -0.171 0.000 1.022 294 L CA -0.268 54.433 54.840 -0.233 0.000 0.854 294 L CB 1.020 42.844 42.059 -0.392 0.000 1.226 294 L HN 0.457 nan 8.230 nan 0.000 0.429 295 L N 3.831 125.006 121.223 -0.080 0.000 2.317 295 L HA 0.530 4.876 4.340 0.010 0.000 0.281 295 L C -0.275 176.538 176.870 -0.095 0.000 1.024 295 L CA -0.428 54.393 54.840 -0.031 0.000 0.810 295 L CB 1.797 43.865 42.059 0.015 0.000 1.240 295 L HN 0.552 nan 8.230 nan 0.000 0.427 296 Q N 2.367 122.141 119.800 -0.043 0.000 2.310 296 Q HA 0.694 5.040 4.340 0.010 0.000 0.270 296 Q C -1.265 174.681 176.000 -0.091 0.000 1.025 296 Q CA -0.548 55.228 55.803 -0.044 0.000 0.772 296 Q CB 2.220 31.023 28.738 0.107 0.000 1.253 296 Q HN 0.796 nan 8.270 nan 0.000 0.450 297 A N 4.764 127.476 122.820 -0.180 0.000 2.264 297 A HA 0.707 5.033 4.320 0.010 0.000 0.304 297 A C -2.462 174.872 177.584 -0.417 0.000 1.100 297 A CA -1.738 50.029 52.037 -0.450 0.000 0.839 297 A CB 0.253 19.080 19.000 -0.289 0.000 1.121 297 A HN 0.641 nan 8.150 nan 0.000 0.496 298 P HA 0.021 nan 4.420 nan 0.000 0.261 298 P C -0.743 176.464 177.300 -0.156 0.000 1.173 298 P CA 0.879 63.786 63.100 -0.321 0.000 0.760 298 P CB 0.091 31.603 31.700 -0.312 0.000 0.783 299 D N 0.688 121.039 120.400 -0.081 0.000 2.751 299 D HA -0.196 4.450 4.640 0.010 0.000 0.233 299 D C -0.238 176.046 176.300 -0.027 0.000 1.149 299 D CA 1.310 55.290 54.000 -0.034 0.000 0.682 299 D CB -0.781 40.003 40.800 -0.027 0.000 1.068 299 D HN 0.577 nan 8.370 nan 0.000 0.429 300 E N -0.890 119.291 120.200 -0.032 0.000 2.367 300 E HA 0.665 5.021 4.350 0.010 0.000 0.273 300 E C -0.310 176.286 176.600 -0.007 0.000 0.903 300 E CA -0.919 55.466 56.400 -0.025 0.000 0.764 300 E CB 1.727 31.398 29.700 -0.049 0.000 1.252 300 E HN 0.121 nan 8.360 nan 0.000 0.446 301 A N 2.488 125.303 122.820 -0.007 0.000 2.386 301 A HA 0.386 4.712 4.320 0.010 0.000 0.248 301 A C -2.073 175.437 177.584 -0.123 0.000 1.082 301 A CA -0.959 51.071 52.037 -0.011 0.000 0.789 301 A CB -0.372 18.637 19.000 0.014 0.000 1.025 301 A HN 0.336 nan 8.150 nan 0.000 0.490 302 P HA 0.192 nan 4.420 nan 0.000 0.272 302 P C -0.697 176.383 177.300 -0.367 0.000 1.223 302 P CA 0.114 62.900 63.100 -0.523 0.000 0.784 302 P CB 0.735 31.639 31.700 -1.326 0.000 0.923 303 E N 0.581 120.628 120.200 -0.255 0.000 2.195 303 E HA 0.426 4.782 4.350 0.010 0.000 0.271 303 E C -0.807 175.584 176.600 -0.348 0.000 0.923 303 E CA -1.062 55.185 56.400 -0.256 0.000 0.790 303 E CB 1.470 31.083 29.700 -0.146 0.000 1.155 303 E HN 0.272 nan 8.360 nan 0.000 0.402 304 L N 3.197 124.111 121.223 -0.515 0.000 2.292 304 L HA 0.453 4.799 4.340 0.010 0.000 0.284 304 L C -1.581 174.798 176.870 -0.817 0.000 1.065 304 L CA 0.158 54.717 54.840 -0.468 0.000 0.806 304 L CB 0.167 42.055 42.059 -0.284 0.000 1.175 304 L HN 0.410 nan 8.230 nan 0.000 0.431 305 F N 3.969 123.702 119.950 -0.362 0.000 2.561 305 F HA 0.488 5.022 4.527 0.011 0.000 0.313 305 F C -0.355 175.193 175.800 -0.419 0.000 1.126 305 F CA -0.875 56.773 58.000 -0.586 0.000 0.918 305 F CB 1.908 40.216 39.000 -1.154 0.000 1.199 305 F HN 0.021 nan 8.300 nan 0.000 0.444 306 V N 4.625 124.452 119.914 -0.145 0.000 2.407 306 V HA 0.316 4.442 4.120 0.010 0.000 0.278 306 V C 0.127 176.324 176.094 0.172 0.000 1.037 306 V CA -0.745 61.560 62.300 0.009 0.000 0.900 306 V CB 1.454 33.317 31.823 0.067 0.000 0.983 306 V HN 0.540 nan 8.190 nan 0.000 0.459 307 L N 7.275 128.617 121.223 0.199 0.000 2.367 307 L HA 0.296 4.642 4.340 0.010 0.000 0.275 307 L C -2.108 174.868 176.870 0.176 0.000 1.129 307 L CA -1.494 53.502 54.840 0.259 0.000 0.839 307 L CB 0.626 42.767 42.059 0.136 0.000 1.133 307 L HN 0.435 nan 8.230 nan 0.000 0.453 308 P HA 0.069 nan 4.420 nan 0.000 0.267 308 P C -2.030 175.319 177.300 0.082 0.000 1.209 308 P CA -0.924 62.246 63.100 0.117 0.000 0.763 308 P CB 0.387 32.144 31.700 0.094 0.000 0.816 309 P HA -0.229 nan 4.420 nan 0.000 0.216 309 P C 1.375 178.705 177.300 0.050 0.000 1.150 309 P CA 1.332 64.473 63.100 0.068 0.000 0.843 309 P CB -0.166 31.577 31.700 0.072 0.000 0.787 310 E N 0.048 120.274 120.200 0.043 0.000 2.265 310 E HA -0.144 4.212 4.350 0.010 0.000 0.196 310 E C 1.690 178.305 176.600 0.025 0.000 0.996 310 E CA 1.085 57.503 56.400 0.030 0.000 0.832 310 E CB -1.084 28.631 29.700 0.026 0.000 0.756 310 E HN 0.325 nan 8.360 nan 0.000 0.491 311 L N 0.921 122.160 121.223 0.026 0.000 2.375 311 L HA 0.093 4.439 4.340 0.010 0.000 0.215 311 L C 0.787 177.671 176.870 0.022 0.000 1.108 311 L CA 0.072 54.922 54.840 0.017 0.000 0.830 311 L CB 0.394 42.455 42.059 0.003 0.000 0.959 311 L HN -0.106 nan 8.230 nan 0.000 0.457 312 V N 2.415 122.344 119.914 0.026 0.000 2.322 312 V HA 0.123 4.249 4.120 0.010 0.000 0.258 312 V C 0.073 176.193 176.094 0.043 0.000 1.074 312 V CA -0.459 61.856 62.300 0.024 0.000 0.909 312 V CB 0.940 32.768 31.823 0.008 0.000 1.090 312 V HN 0.064 nan 8.190 nan 0.000 0.486 313 L N 5.696 126.951 121.223 0.052 0.000 2.360 313 L HA 0.420 4.766 4.340 0.010 0.000 0.276 313 L C 0.212 177.120 176.870 0.063 0.000 1.121 313 L CA 0.829 55.695 54.840 0.043 0.000 0.845 313 L CB 0.365 42.445 42.059 0.035 0.000 1.143 313 L HN 0.655 nan 8.230 nan 0.000 0.452 314 E N 3.279 123.496 120.200 0.027 0.000 2.359 314 E HA 0.621 4.977 4.350 0.010 0.000 0.266 314 E C -1.472 175.075 176.600 -0.090 0.000 0.920 314 E CA -1.068 55.347 56.400 0.025 0.000 0.788 314 E CB 2.444 32.188 29.700 0.074 0.000 1.279 314 E HN 0.353 nan 8.360 nan 0.000 0.438 315 V N 2.527 122.354 119.914 -0.145 0.000 2.409 315 V HA 0.297 4.423 4.120 0.010 0.000 0.290 315 V C -2.464 173.552 176.094 -0.130 0.000 1.017 315 V CA -1.967 60.181 62.300 -0.255 0.000 0.841 315 V CB 1.339 32.754 31.823 -0.680 0.000 1.003 315 V HN 0.516 nan 8.190 nan 0.000 0.426 316 P HA 0.281 nan 4.420 nan 0.000 0.271 316 P C -0.627 176.666 177.300 -0.010 0.000 1.216 316 P CA -0.078 62.983 63.100 -0.064 0.000 0.771 316 P CB 0.577 32.248 31.700 -0.049 0.000 0.864 317 L N 3.662 124.916 121.223 0.051 0.000 2.292 317 L HA 0.471 4.817 4.340 0.010 0.000 0.284 317 L C 1.007 178.030 176.870 0.256 0.000 1.065 317 L CA -0.186 54.752 54.840 0.164 0.000 0.806 317 L CB 0.569 42.791 42.059 0.273 0.000 1.175 317 L HN 0.487 nan 8.230 nan 0.000 0.431 318 E N 1.753 122.076 120.200 0.206 0.000 2.416 318 E HA 0.426 4.782 4.350 0.010 0.000 0.273 318 E C -1.371 175.298 176.600 0.116 0.000 0.935 318 E CA -0.954 55.590 56.400 0.239 0.000 0.784 318 E CB 2.302 32.103 29.700 0.168 0.000 1.301 318 E HN 0.475 nan 8.360 nan 0.000 0.454 319 H N 1.308 120.311 119.070 -0.111 0.000 2.492 319 H HA 0.250 4.812 4.556 0.010 0.000 0.345 319 H C -1.797 173.296 175.328 -0.391 0.000 1.136 319 H CA -2.312 53.516 56.048 -0.366 0.000 1.202 319 H CB 2.051 31.464 29.762 -0.582 0.000 1.524 319 H HN 0.419 nan 8.280 nan 0.000 0.506 320 P HA -0.138 nan 4.420 nan 0.000 0.216 320 P C 0.922 178.064 177.300 -0.263 0.000 1.150 320 P CA 2.015 64.602 63.100 -0.855 0.000 0.837 320 P CB 0.449 31.598 31.700 -0.918 0.000 0.786 321 T N -4.153 110.422 114.554 0.036 0.000 2.989 321 T HA 0.195 4.551 4.350 0.010 0.000 0.250 321 T C 0.999 175.658 174.700 -0.067 0.000 0.981 321 T CA -0.248 61.859 62.100 0.012 0.000 0.980 321 T CB -0.692 68.188 68.868 0.020 0.000 1.133 321 T HN -0.069 nan 8.240 nan 0.000 0.489 322 L N 2.979 124.071 121.223 -0.220 0.000 2.462 322 L HA 0.299 4.645 4.340 0.010 0.000 0.283 322 L C 1.287 177.804 176.870 -0.589 0.000 1.166 322 L CA -0.195 54.237 54.840 -0.680 0.000 0.964 322 L CB 0.192 41.421 42.059 -1.384 0.000 1.294 322 L HN 0.305 nan 8.230 nan 0.000 0.449 323 E N 3.201 123.222 120.200 -0.298 0.000 2.209 323 E HA -0.210 4.146 4.350 0.010 0.000 0.196 323 E C 1.522 178.096 176.600 -0.044 0.000 0.993 323 E CA 1.425 57.761 56.400 -0.107 0.000 0.819 323 E CB 0.017 29.722 29.700 0.009 0.000 0.745 323 E HN 0.829 nan 8.360 nan 0.000 0.477 324 W N -0.230 121.120 121.300 0.083 0.000 2.678 324 W HA 0.027 4.694 4.660 0.011 0.000 0.256 324 W C 1.430 178.004 176.519 0.092 0.000 1.280 324 W CA -0.288 57.096 57.345 0.066 0.000 1.345 324 W CB -0.825 28.652 29.460 0.029 0.000 1.118 324 W HN -0.061 nan 8.180 nan 0.000 0.629 325 F N 3.044 122.796 119.950 -0.331 0.000 2.126 325 F HA -0.155 4.378 4.527 0.010 0.000 0.299 325 F C 2.702 178.539 175.800 0.061 0.000 1.096 325 F CA 3.022 60.939 58.000 -0.139 0.000 1.255 325 F CB -0.520 38.264 39.000 -0.359 0.000 0.997 325 F HN -0.076 nan 8.300 nan 0.000 0.479 326 A N 0.027 122.988 122.820 0.235 0.000 2.024 326 A HA -0.130 4.196 4.320 0.010 0.000 0.220 326 A C 2.282 179.926 177.584 0.100 0.000 1.164 326 A CA 1.571 53.710 52.037 0.170 0.000 0.643 326 A CB -1.411 17.666 19.000 0.128 0.000 0.806 326 A HN 0.449 nan 8.150 nan 0.000 0.451 327 A N -0.992 121.897 122.820 0.114 0.000 2.121 327 A HA 0.118 4.444 4.320 0.010 0.000 0.218 327 A C 1.722 179.337 177.584 0.051 0.000 1.154 327 A CA 1.146 53.237 52.037 0.091 0.000 0.679 327 A CB -0.362 18.714 19.000 0.126 0.000 0.795 327 A HN 0.366 nan 8.150 nan 0.000 0.458 328 L N -0.840 120.385 121.223 0.004 0.000 2.362 328 L HA 0.059 4.405 4.340 0.010 0.000 0.219 328 L C 1.907 178.776 176.870 -0.000 0.000 1.134 328 L CA 1.221 56.033 54.840 -0.045 0.000 0.807 328 L CB -1.403 40.519 42.059 -0.229 0.000 0.927 328 L HN 0.660 nan 8.230 nan 0.000 0.447 329 G N -0.501 108.301 108.800 0.003 0.000 2.198 329 G HA2 -0.288 3.678 3.960 0.010 0.000 0.260 329 G HA3 -0.288 3.678 3.960 0.010 0.000 0.260 329 G C 0.358 175.224 174.900 -0.056 0.000 1.025 329 G CA 0.380 45.484 45.100 0.006 0.000 0.769 329 G HN 0.325 nan 8.290 nan 0.000 0.507 330 L N -0.461 120.712 121.223 -0.084 0.000 2.421 330 L HA 0.837 5.183 4.340 0.010 0.000 0.263 330 L C 1.098 177.755 176.870 -0.356 0.000 1.122 330 L CA -0.678 54.041 54.840 -0.203 0.000 0.804 330 L CB 1.003 43.060 42.059 -0.003 0.000 1.150 330 L HN 0.585 nan 8.230 nan 0.000 0.457 331 R N 0.764 120.872 120.500 -0.654 0.000 2.741 331 R HA 0.468 4.814 4.340 0.010 0.000 0.276 331 R C -2.187 174.041 176.300 -0.120 0.000 1.028 331 R CA -1.027 54.849 56.100 -0.374 0.000 0.865 331 R CB 1.598 31.628 30.300 -0.451 0.000 1.268 331 R HN 0.657 nan 8.270 nan 0.000 0.475 332 W N 1.369 122.626 121.300 -0.072 0.000 3.137 332 W HA 0.366 5.032 4.660 0.009 0.000 0.324 332 W C -1.311 175.292 176.519 0.140 0.000 1.253 332 W CA -0.963 56.433 57.345 0.085 0.000 1.183 332 W CB 1.940 31.359 29.460 -0.068 0.000 1.424 332 W HN 0.681 nan 8.180 nan 0.000 0.566 333 Y N 1.022 121.217 120.300 -0.175 0.000 2.301 333 Y HA 0.564 5.120 4.550 0.010 0.000 0.328 333 Y C 0.808 176.944 175.900 0.393 0.000 1.242 333 Y CA 0.019 58.128 58.100 0.015 0.000 1.323 333 Y CB 0.320 38.652 38.460 -0.213 0.000 1.266 333 Y HN 0.349 nan 8.280 nan 0.000 0.527 334 A N 2.386 125.479 122.820 0.456 0.000 2.016 334 A HA 0.060 4.386 4.320 0.010 0.000 0.217 334 A C 0.470 178.417 177.584 0.604 0.000 1.162 334 A CA 0.416 52.777 52.037 0.539 0.000 0.662 334 A CB -0.302 18.852 19.000 0.257 0.000 0.812 334 A HN 0.683 nan 8.150 nan 0.000 0.450 335 L N 1.951 123.483 121.223 0.514 0.000 2.276 335 L HA 0.417 4.763 4.340 0.010 0.000 0.286 335 L C -2.556 174.478 176.870 0.273 0.000 1.024 335 L CA -2.244 52.796 54.840 0.333 0.000 0.826 335 L CB 1.635 43.818 42.059 0.206 0.000 1.211 335 L HN -0.025 nan 8.230 nan 0.000 0.422 336 P HA 0.327 nan 4.420 nan 0.000 0.287 336 P C -1.311 175.906 177.300 -0.139 0.000 1.294 336 P CA -0.393 62.590 63.100 -0.196 0.000 0.776 336 P CB 1.553 32.733 31.700 -0.867 0.000 0.889 337 A N 4.237 126.972 122.820 -0.141 0.000 3.127 337 A HA 0.318 4.644 4.320 0.010 0.000 0.319 337 A C -0.178 177.158 177.584 -0.413 0.000 1.104 337 A CA -0.572 51.295 52.037 -0.283 0.000 0.802 337 A CB 0.265 19.132 19.000 -0.223 0.000 1.193 337 A HN 0.286 nan 8.150 nan 0.000 0.479 338 V N 2.281 121.819 119.914 -0.627 0.000 2.539 338 V HA 0.043 4.169 4.120 0.010 0.000 0.300 338 V C 1.379 177.098 176.094 -0.625 0.000 1.019 338 V CA 1.712 63.641 62.300 -0.618 0.000 1.160 338 V CB 0.658 32.005 31.823 -0.793 0.000 0.901 338 V HN 1.047 nan 8.190 nan 0.000 0.481 339 S N 1.856 117.389 115.700 -0.279 0.000 2.701 339 S HA 0.073 4.549 4.470 0.010 0.000 0.242 339 S C 0.781 175.373 174.600 -0.014 0.000 1.025 339 S CA 0.060 58.171 58.200 -0.148 0.000 1.016 339 S CB -0.347 62.797 63.200 -0.094 0.000 0.977 339 S HN 0.935 nan 8.310 nan 0.000 0.546 340 N N 0.371 119.075 118.700 0.006 0.000 2.204 340 N HA 0.307 5.053 4.740 0.010 0.000 0.219 340 N C 0.039 175.612 175.510 0.105 0.000 1.151 340 N CA -0.508 52.580 53.050 0.063 0.000 0.867 340 N CB 0.144 38.666 38.487 0.058 0.000 1.043 340 N HN 0.258 nan 8.380 nan 0.000 0.516 341 M N 1.420 121.104 119.600 0.140 0.000 2.342 341 M HA 0.302 4.789 4.480 0.010 0.000 0.332 341 M C -0.549 175.896 176.300 0.241 0.000 1.166 341 M CA -0.770 54.658 55.300 0.214 0.000 1.086 341 M CB 2.374 35.143 32.600 0.281 0.000 1.541 341 M HN 0.151 nan 8.290 nan 0.000 0.462 342 L N 3.304 124.647 121.223 0.199 0.000 2.289 342 L HA 0.472 4.818 4.340 0.010 0.000 0.285 342 L C -1.240 175.721 176.870 0.152 0.000 1.049 342 L CA -0.908 54.030 54.840 0.162 0.000 0.804 342 L CB 1.017 43.126 42.059 0.082 0.000 1.195 342 L HN 0.571 nan 8.230 nan 0.000 0.428 343 L N 5.507 126.813 121.223 0.138 0.000 2.257 343 L HA 0.425 4.771 4.340 0.010 0.000 0.290 343 L C -0.424 176.446 176.870 -0.001 0.000 1.044 343 L CA 0.315 55.116 54.840 -0.065 0.000 0.810 343 L CB 1.013 43.022 42.059 -0.083 0.000 1.193 343 L HN 0.621 nan 8.230 nan 0.000 0.425 344 E N 6.632 126.757 120.200 -0.126 0.000 2.145 344 E HA 0.406 4.762 4.350 0.010 0.000 0.270 344 E C -1.586 174.921 176.600 -0.155 0.000 0.906 344 E CA -0.448 55.894 56.400 -0.097 0.000 0.761 344 E CB 1.139 30.782 29.700 -0.094 0.000 1.116 344 E HN 0.725 nan 8.360 nan 0.000 0.408 345 I N 2.564 123.044 120.570 -0.150 0.000 2.500 345 I HA 0.270 4.446 4.170 0.010 0.000 0.286 345 I C 0.746 176.646 176.117 -0.362 0.000 1.063 345 I CA -0.709 60.377 61.300 -0.356 0.000 1.062 345 I CB 2.020 39.746 38.000 -0.456 0.000 1.223 345 I HN 0.780 nan 8.210 nan 0.000 0.435 346 G N 4.218 112.858 108.800 -0.268 0.000 2.356 346 G HA2 -0.107 3.859 3.960 0.010 0.000 0.296 346 G HA3 -0.107 3.859 3.960 0.010 0.000 0.296 346 G C 1.050 176.023 174.900 0.123 0.000 1.022 346 G CA 0.819 45.957 45.100 0.064 0.000 0.961 346 G HN 1.554 nan 8.290 nan 0.000 0.510 347 G N -1.784 107.028 108.800 0.020 0.000 2.284 347 G HA2 -0.268 3.698 3.960 0.010 0.000 0.247 347 G HA3 -0.268 3.698 3.960 0.010 0.000 0.247 347 G C 0.615 175.459 174.900 -0.092 0.000 1.012 347 G CA 0.498 45.605 45.100 0.011 0.000 0.618 347 G HN 1.334 nan 8.290 nan 0.000 0.521 348 L N 1.066 122.171 121.223 -0.197 0.000 2.397 348 L HA 0.499 4.845 4.340 0.010 0.000 0.271 348 L C 0.351 176.963 176.870 -0.430 0.000 1.148 348 L CA -0.078 54.514 54.840 -0.413 0.000 0.825 348 L CB 0.841 42.524 42.059 -0.626 0.000 1.117 348 L HN 0.225 nan 8.230 nan 0.000 0.456 349 E N 2.944 122.843 120.200 -0.501 0.000 2.155 349 E HA 0.317 4.673 4.350 0.010 0.000 0.264 349 E C -1.389 174.925 176.600 -0.477 0.000 0.886 349 E CA -0.380 55.803 56.400 -0.363 0.000 0.752 349 E CB 1.289 30.875 29.700 -0.189 0.000 1.133 349 E HN 0.274 nan 8.360 nan 0.000 0.414 350 F N 2.192 122.098 119.950 -0.074 0.000 2.309 350 F HA 0.080 4.614 4.527 0.012 0.000 0.366 350 F C 1.622 177.443 175.800 0.034 0.000 1.104 350 F CA -0.454 57.528 58.000 -0.029 0.000 1.179 350 F CB 0.833 39.797 39.000 -0.060 0.000 1.437 350 F HN 0.420 nan 8.300 nan 0.000 0.528 351 S N 1.283 117.073 115.700 0.149 0.000 2.474 351 S HA 0.129 4.605 4.470 0.010 0.000 0.235 351 S C 0.841 175.561 174.600 0.200 0.000 0.997 351 S CA 0.396 58.682 58.200 0.144 0.000 0.949 351 S CB -0.034 63.230 63.200 0.106 0.000 0.766 351 S HN 0.485 nan 8.310 nan 0.000 0.517 352 A N 0.421 123.406 122.820 0.274 0.000 2.410 352 A HA 0.826 5.152 4.320 0.010 0.000 0.289 352 A C -0.210 177.616 177.584 0.403 0.000 1.200 352 A CA -0.173 52.060 52.037 0.326 0.000 0.751 352 A CB 0.967 20.151 19.000 0.308 0.000 1.161 352 A HN 1.034 nan 8.150 nan 0.000 0.459 353 A N 4.184 127.187 122.820 0.306 0.000 3.277 353 A HA 0.626 4.952 4.320 0.010 0.000 0.281 353 A C -2.999 174.718 177.584 0.222 0.000 1.179 353 A CA -0.880 51.289 52.037 0.219 0.000 0.879 353 A CB 0.377 19.493 19.000 0.193 0.000 1.374 353 A HN 0.523 nan 8.150 nan 0.000 0.590 354 P HA 0.440 nan 4.420 nan 0.000 0.269 354 P C -0.719 176.576 177.300 -0.008 0.000 1.209 354 P CA 0.421 63.477 63.100 -0.074 0.000 0.776 354 P CB 0.359 31.969 31.700 -0.150 0.000 0.876 355 F N -0.736 119.151 119.950 -0.105 0.000 2.613 355 F HA 0.785 5.318 4.527 0.009 0.000 0.314 355 F C -0.800 174.922 175.800 -0.130 0.000 1.075 355 F CA -1.182 56.763 58.000 -0.092 0.000 0.945 355 F CB 1.592 40.429 39.000 -0.272 0.000 1.310 355 F HN 0.457 nan 8.300 nan 0.000 0.467 356 S N -0.057 115.746 115.700 0.173 0.000 2.547 356 S HA 0.894 5.370 4.470 0.010 0.000 0.270 356 S C -0.804 173.768 174.600 -0.047 0.000 1.150 356 S CA -0.163 58.065 58.200 0.048 0.000 0.850 356 S CB 1.395 64.677 63.200 0.136 0.000 1.118 356 S HN 1.558 nan 8.310 nan 0.000 0.461 357 G N 0.063 108.789 108.800 -0.124 0.000 3.009 357 G HA2 0.704 4.670 3.960 0.010 0.000 0.193 357 G HA3 0.704 4.670 3.960 0.010 0.000 0.193 357 G C -1.266 173.669 174.900 0.059 0.000 1.636 357 G CA -0.015 44.957 45.100 -0.214 0.000 0.832 357 G HN 1.288 nan 8.290 nan 0.000 0.795 358 W N -1.510 119.795 121.300 0.009 0.000 3.074 358 W HA 0.796 5.461 4.660 0.008 0.000 0.332 358 W C -1.878 174.649 176.519 0.013 0.000 1.253 358 W CA -2.126 55.244 57.345 0.041 0.000 1.180 358 W CB 0.399 29.923 29.460 0.107 0.000 1.445 358 W HN 0.344 nan 8.180 nan 0.000 0.573 359 Y N 2.760 123.258 120.300 0.331 0.000 2.336 359 Y HA 0.351 4.907 4.550 0.010 0.000 0.331 359 Y C 0.875 176.843 175.900 0.114 0.000 1.211 359 Y CA -0.701 57.476 58.100 0.129 0.000 1.346 359 Y CB 1.291 39.740 38.460 -0.017 0.000 1.271 359 Y HN 0.466 nan 8.280 nan 0.000 0.538 360 M N 2.191 121.947 119.600 0.261 0.000 2.209 360 M HA 0.204 4.690 4.480 0.010 0.000 0.355 360 M C 1.009 177.316 176.300 0.011 0.000 1.171 360 M CA -0.282 55.099 55.300 0.135 0.000 1.069 360 M CB 1.169 33.824 32.600 0.091 0.000 1.622 360 M HN 0.835 nan 8.290 nan 0.000 0.459 361 S N 1.337 117.000 115.700 -0.063 0.000 2.402 361 S HA -0.191 4.285 4.470 0.010 0.000 0.233 361 S C 1.472 175.941 174.600 -0.219 0.000 1.030 361 S CA 2.126 60.212 58.200 -0.191 0.000 1.003 361 S CB -1.337 61.782 63.200 -0.135 0.000 0.813 361 S HN 0.931 nan 8.310 nan 0.000 0.477 362 T N -0.242 114.210 114.554 -0.169 0.000 2.995 362 T HA 0.042 4.398 4.350 0.010 0.000 0.269 362 T C 1.551 176.105 174.700 -0.243 0.000 1.091 362 T CA 1.032 62.989 62.100 -0.239 0.000 1.128 362 T CB -0.516 68.177 68.868 -0.292 0.000 0.891 362 T HN 0.571 nan 8.240 nan 0.000 0.492 363 E N 0.857 120.938 120.200 -0.198 0.000 2.085 363 E HA -0.056 4.300 4.350 0.010 0.000 0.194 363 E C 1.994 178.348 176.600 -0.409 0.000 0.994 363 E CA 1.403 57.693 56.400 -0.183 0.000 0.801 363 E CB -0.258 29.471 29.700 0.049 0.000 0.743 363 E HN 0.602 nan 8.360 nan 0.000 0.453 364 I N -0.046 120.149 120.570 -0.625 0.000 2.364 364 I HA -0.047 4.129 4.170 0.010 0.000 0.241 364 I C 2.583 178.344 176.117 -0.592 0.000 1.082 364 I CA 0.855 61.600 61.300 -0.925 0.000 1.401 364 I CB -0.492 36.854 38.000 -1.090 0.000 1.126 364 I HN 0.100 nan 8.210 nan 0.000 0.429 365 G N 0.131 108.688 108.800 -0.405 0.000 2.432 365 G HA2 -0.167 3.799 3.960 0.010 0.000 0.219 365 G HA3 -0.167 3.799 3.960 0.010 0.000 0.219 365 G C 1.595 176.380 174.900 -0.193 0.000 1.135 365 G CA 1.533 46.487 45.100 -0.243 0.000 0.767 365 G HN 0.301 nan 8.290 nan 0.000 0.550 366 T N -0.277 114.142 114.554 -0.226 0.000 3.053 366 T HA 0.116 4.472 4.350 0.010 0.000 0.236 366 T C 2.512 177.105 174.700 -0.179 0.000 0.996 366 T CA 0.159 62.148 62.100 -0.186 0.000 1.185 366 T CB 0.112 68.854 68.868 -0.210 0.000 0.892 366 T HN 0.003 nan 8.240 nan 0.000 0.432 367 R N 2.093 122.468 120.500 -0.209 0.000 2.056 367 R HA 0.144 4.490 4.340 0.010 0.000 0.227 367 R C 2.189 178.377 176.300 -0.187 0.000 1.149 367 R CA 1.113 57.100 56.100 -0.189 0.000 0.937 367 R CB -1.232 28.960 30.300 -0.179 0.000 0.835 367 R HN 0.317 nan 8.270 nan 0.000 0.430 368 N N 1.066 119.610 118.700 -0.259 0.000 2.104 368 N HA -0.105 4.641 4.740 0.010 0.000 0.190 368 N C 1.976 177.430 175.510 -0.093 0.000 1.024 368 N CA 1.108 54.014 53.050 -0.240 0.000 0.853 368 N CB -0.272 37.774 38.487 -0.735 0.000 1.008 368 N HN 0.195 nan 8.380 nan 0.000 0.424 369 L N -0.707 120.402 121.223 -0.190 0.000 2.249 369 L HA 0.051 4.397 4.340 0.010 0.000 0.207 369 L C 1.384 178.284 176.870 0.051 0.000 1.090 369 L CA 0.534 55.359 54.840 -0.025 0.000 0.802 369 L CB 0.105 42.119 42.059 -0.074 0.000 0.947 369 L HN 0.175 nan 8.230 nan 0.000 0.453 370 C N -1.608 117.680 119.300 -0.020 0.000 3.070 370 C HA 0.180 4.646 4.460 0.010 0.000 0.280 370 C C 0.726 175.698 174.990 -0.029 0.000 1.264 370 C CA -0.978 58.038 59.018 -0.003 0.000 1.690 370 C CB -0.365 27.361 27.740 -0.023 0.000 2.049 370 C HN 0.296 nan 8.230 nan 0.000 0.636 371 D N 2.391 122.740 120.400 -0.084 0.000 2.449 371 D HA 0.070 4.716 4.640 0.010 0.000 0.236 371 D C -1.419 174.838 176.300 -0.073 0.000 1.149 371 D CA -1.056 52.864 54.000 -0.133 0.000 0.878 371 D CB 0.610 41.188 40.800 -0.371 0.000 1.198 371 D HN 0.110 nan 8.370 nan 0.000 0.446 372 P HA -0.126 nan 4.420 nan 0.000 0.217 372 P C 0.710 178.082 177.300 0.121 0.000 1.150 372 P CA 1.247 64.411 63.100 0.105 0.000 0.832 372 P CB 0.012 31.801 31.700 0.149 0.000 0.787 373 H N -2.695 116.383 119.070 0.014 0.000 2.524 373 H HA 0.341 4.903 4.556 0.010 0.000 0.280 373 H C 0.873 176.205 175.328 0.007 0.000 1.018 373 H CA -0.043 56.009 56.048 0.008 0.000 1.165 373 H CB -0.016 29.751 29.762 0.008 0.000 1.411 373 H HN -0.019 nan 8.280 nan 0.000 0.569 374 R N -0.137 120.252 120.500 -0.186 0.000 3.006 374 R HA 0.180 4.526 4.340 0.010 0.000 0.150 374 R C 1.094 177.351 176.300 -0.072 0.000 1.285 374 R CA -0.742 55.285 56.100 -0.122 0.000 0.813 374 R CB -0.848 29.394 30.300 -0.097 0.000 1.582 374 R HN 0.089 nan 8.270 nan 0.000 0.441 375 Y N 1.705 122.017 120.300 0.019 0.000 2.421 375 Y HA -0.052 4.504 4.550 0.010 0.000 0.292 375 Y C 0.785 176.708 175.900 0.037 0.000 1.136 375 Y CA 1.316 59.443 58.100 0.046 0.000 1.255 375 Y CB -0.310 38.216 38.460 0.110 0.000 0.991 375 Y HN 0.551 nan 8.280 nan 0.000 0.552 376 N N 0.991 119.774 118.700 0.138 0.000 2.699 376 N HA -0.230 4.516 4.740 0.010 0.000 0.256 376 N C 0.562 176.152 175.510 0.133 0.000 0.993 376 N CA 0.344 53.456 53.050 0.103 0.000 0.759 376 N CB -0.990 37.540 38.487 0.073 0.000 0.906 376 N HN 0.638 nan 8.380 nan 0.000 0.541 377 I N -3.121 117.542 120.570 0.155 0.000 3.684 377 I HA -0.006 4.170 4.170 0.010 0.000 0.304 377 I C 1.733 177.948 176.117 0.163 0.000 1.278 377 I CA -0.371 61.022 61.300 0.154 0.000 1.272 377 I CB -0.023 38.073 38.000 0.161 0.000 1.029 377 I HN 0.101 nan 8.210 nan 0.000 0.458 378 L N 1.849 123.176 121.223 0.174 0.000 1.997 378 L HA -0.260 4.086 4.340 0.010 0.000 0.216 378 L C 2.639 179.727 176.870 0.363 0.000 1.074 378 L CA 2.218 57.198 54.840 0.234 0.000 0.763 378 L CB -1.067 41.096 42.059 0.173 0.000 0.890 378 L HN 0.510 nan 8.230 nan 0.000 0.434 379 E N -1.046 119.369 120.200 0.358 0.000 2.077 379 E HA -0.235 4.121 4.350 0.010 0.000 0.193 379 E C 1.726 178.371 176.600 0.074 0.000 0.989 379 E CA 1.357 57.887 56.400 0.217 0.000 0.800 379 E CB 0.042 29.806 29.700 0.107 0.000 0.746 379 E HN 0.519 nan 8.360 nan 0.000 0.452 380 D N 0.018 120.465 120.400 0.079 0.000 2.097 380 D HA -0.149 4.497 4.640 0.010 0.000 0.195 380 D C 2.078 178.390 176.300 0.020 0.000 0.989 380 D CA 1.115 55.129 54.000 0.024 0.000 0.827 380 D CB -0.198 40.622 40.800 0.034 0.000 0.966 380 D HN 0.138 nan 8.370 nan 0.000 0.456 381 V N 1.534 121.513 119.914 0.109 0.000 2.427 381 V HA -0.185 3.941 4.120 0.010 0.000 0.248 381 V C 2.556 178.748 176.094 0.163 0.000 1.051 381 V CA 1.599 64.009 62.300 0.184 0.000 1.048 381 V CB -0.728 31.285 31.823 0.316 0.000 0.666 381 V HN 0.163 nan 8.190 nan 0.000 0.456 382 A N -0.156 122.773 122.820 0.182 0.000 1.902 382 A HA -0.158 4.168 4.320 0.010 0.000 0.217 382 A C 2.400 179.977 177.584 -0.012 0.000 1.181 382 A CA 2.016 54.154 52.037 0.167 0.000 0.623 382 A CB -0.665 18.520 19.000 0.309 0.000 0.818 382 A HN 0.330 nan 8.150 nan 0.000 0.443 383 V N -0.866 118.993 119.914 -0.092 0.000 2.343 383 V HA -0.320 3.806 4.120 0.010 0.000 0.247 383 V C 2.616 178.573 176.094 -0.228 0.000 1.051 383 V CA 2.059 64.261 62.300 -0.164 0.000 1.036 383 V CB -0.982 30.744 31.823 -0.161 0.000 0.654 383 V HN 0.718 nan 8.190 nan 0.000 0.451 384 C N -0.496 118.611 119.300 -0.321 0.000 2.422 384 C HA -0.117 4.349 4.460 0.010 0.000 0.279 384 C C 2.570 177.174 174.990 -0.644 0.000 1.305 384 C CA 0.949 59.542 59.018 -0.709 0.000 1.757 384 C CB -0.989 26.010 27.740 -1.235 0.000 1.962 384 C HN 0.532 nan 8.230 nan 0.000 0.499 385 M N -0.049 119.422 119.600 -0.215 0.000 2.561 385 M HA 0.053 4.539 4.480 0.010 0.000 0.238 385 M C 0.456 176.748 176.300 -0.013 0.000 1.131 385 M CA 0.752 56.072 55.300 0.033 0.000 1.046 385 M CB -0.397 32.323 32.600 0.200 0.000 1.532 385 M HN 0.240 nan 8.290 nan 0.000 0.497 386 D N 1.446 121.790 120.400 -0.093 0.000 2.699 386 D HA -0.149 4.497 4.640 0.010 0.000 0.239 386 D C -0.974 175.303 176.300 -0.037 0.000 1.136 386 D CA 0.470 54.422 54.000 -0.079 0.000 0.668 386 D CB -0.822 39.939 40.800 -0.066 0.000 1.060 386 D HN 0.314 nan 8.370 nan 0.000 0.429 387 L N -0.355 120.851 121.223 -0.028 0.000 2.400 387 L HA 0.442 4.788 4.340 0.010 0.000 0.264 387 L C 0.893 177.719 176.870 -0.073 0.000 1.061 387 L CA -0.941 53.904 54.840 0.009 0.000 0.799 387 L CB 0.711 42.838 42.059 0.113 0.000 1.240 387 L HN -0.020 nan 8.230 nan 0.000 0.461 388 D N 0.432 120.807 120.400 -0.041 0.000 2.453 388 D HA 0.031 4.677 4.640 0.010 0.000 0.223 388 D C 0.975 177.101 176.300 -0.290 0.000 1.183 388 D CA -0.173 53.761 54.000 -0.108 0.000 0.933 388 D CB 0.779 41.568 40.800 -0.018 0.000 1.038 388 D HN 0.599 nan 8.370 nan 0.000 0.513 389 T N 0.585 114.769 114.554 -0.617 0.000 3.194 389 T HA 0.074 4.430 4.350 0.010 0.000 0.251 389 T C 1.420 175.730 174.700 -0.650 0.000 1.132 389 T CA 0.128 61.403 62.100 -1.375 0.000 1.028 389 T CB 0.019 68.029 68.868 -1.430 0.000 0.976 389 T HN 0.211 nan 8.240 nan 0.000 0.535 390 R N 0.316 120.647 120.500 -0.282 0.000 2.280 390 R HA 0.247 4.593 4.340 0.010 0.000 0.195 390 R C 0.743 177.056 176.300 0.022 0.000 0.935 390 R CA 0.338 56.377 56.100 -0.102 0.000 1.033 390 R CB 0.396 30.647 30.300 -0.081 0.000 0.964 390 R HN 0.322 nan 8.270 nan 0.000 0.489 391 T N -1.036 113.572 114.554 0.090 0.000 2.916 391 T HA 0.119 4.475 4.350 0.010 0.000 0.298 391 T C 1.145 176.015 174.700 0.284 0.000 1.031 391 T CA -0.587 61.605 62.100 0.155 0.000 0.993 391 T CB 1.645 70.570 68.868 0.094 0.000 1.045 391 T HN 0.220 nan 8.240 nan 0.000 0.454 392 T N 1.192 115.875 114.554 0.215 0.000 2.746 392 T HA -0.126 4.230 4.350 0.010 0.000 0.267 392 T C 2.150 176.911 174.700 0.102 0.000 1.039 392 T CA 1.790 63.982 62.100 0.154 0.000 1.142 392 T CB -0.798 68.113 68.868 0.072 0.000 0.866 392 T HN 0.714 nan 8.240 nan 0.000 0.444 393 S N 2.121 117.876 115.700 0.092 0.000 2.537 393 S HA -0.076 4.400 4.470 0.010 0.000 0.240 393 S C 2.091 176.740 174.600 0.081 0.000 0.981 393 S CA 0.914 59.153 58.200 0.066 0.000 0.948 393 S CB -0.948 62.283 63.200 0.052 0.000 0.759 393 S HN 0.792 nan 8.310 nan 0.000 0.531 394 S N 1.510 117.292 115.700 0.137 0.000 2.527 394 S HA 0.243 4.719 4.470 0.010 0.000 0.222 394 S C 0.949 175.633 174.600 0.140 0.000 0.985 394 S CA 0.191 58.479 58.200 0.147 0.000 0.921 394 S CB -0.934 62.385 63.200 0.199 0.000 0.772 394 S HN 0.640 nan 8.310 nan 0.000 0.529 395 L N 0.987 122.268 121.223 0.096 0.000 3.717 395 L HA -0.169 4.177 4.340 0.010 0.000 0.414 395 L C 1.592 178.481 176.870 0.032 0.000 1.228 395 L CA 0.647 55.487 54.840 -0.000 0.000 0.918 395 L CB -2.476 39.587 42.059 0.007 0.000 1.865 395 L HN 0.734 nan 8.230 nan 0.000 0.922 396 W N -0.021 121.292 121.300 0.022 0.000 2.363 396 W HA -0.136 4.530 4.660 0.010 0.000 0.296 396 W C 1.735 178.274 176.519 0.033 0.000 1.212 396 W CA 1.321 58.683 57.345 0.028 0.000 1.260 396 W CB -0.691 28.782 29.460 0.022 0.000 1.131 396 W HN 0.273 nan 8.180 nan 0.000 0.530 397 K N 1.067 121.034 120.400 -0.721 0.000 2.026 397 K HA -0.164 4.162 4.320 0.010 0.000 0.208 397 K C 1.557 178.018 176.600 -0.233 0.000 1.048 397 K CA 2.363 58.262 56.287 -0.647 0.000 0.929 397 K CB -0.367 31.594 32.500 -0.899 0.000 0.713 397 K HN 0.021 nan 8.250 nan 0.000 0.439 398 D N 0.681 120.966 120.400 -0.190 0.000 2.123 398 D HA -0.142 4.504 4.640 0.010 0.000 0.196 398 D C 1.683 177.975 176.300 -0.014 0.000 0.992 398 D CA 1.305 55.252 54.000 -0.089 0.000 0.833 398 D CB 0.016 40.774 40.800 -0.071 0.000 0.954 398 D HN 0.129 nan 8.370 nan 0.000 0.455 399 K N 0.426 120.845 120.400 0.032 0.000 2.025 399 K HA -0.004 4.322 4.320 0.010 0.000 0.207 399 K C 2.228 178.895 176.600 0.111 0.000 1.049 399 K CA 1.105 57.440 56.287 0.081 0.000 0.933 399 K CB -0.164 32.405 32.500 0.114 0.000 0.714 399 K HN 0.087 nan 8.250 nan 0.000 0.438 400 A N 1.652 124.559 122.820 0.146 0.000 1.877 400 A HA -0.138 4.188 4.320 0.010 0.000 0.216 400 A C 2.403 180.072 177.584 0.143 0.000 1.186 400 A CA 1.899 54.051 52.037 0.193 0.000 0.620 400 A CB -0.785 18.366 19.000 0.252 0.000 0.822 400 A HN 0.337 nan 8.150 nan 0.000 0.443 401 A N -0.528 122.333 122.820 0.068 0.000 1.883 401 A HA -0.065 4.261 4.320 0.010 0.000 0.217 401 A C 2.251 179.847 177.584 0.020 0.000 1.186 401 A CA 1.953 54.004 52.037 0.023 0.000 0.624 401 A CB -1.070 17.905 19.000 -0.042 0.000 0.822 401 A HN 0.422 nan 8.150 nan 0.000 0.444 402 V N 0.347 120.279 119.914 0.030 0.000 2.287 402 V HA -0.238 3.888 4.120 0.010 0.000 0.248 402 V C 2.584 178.706 176.094 0.047 0.000 1.053 402 V CA 2.252 64.573 62.300 0.035 0.000 1.027 402 V CB -0.720 31.133 31.823 0.049 0.000 0.646 402 V HN 0.539 nan 8.190 nan 0.000 0.447 403 E N -0.232 120.021 120.200 0.088 0.000 2.150 403 E HA -0.117 4.239 4.350 0.010 0.000 0.193 403 E C 2.111 178.726 176.600 0.024 0.000 0.985 403 E CA 1.121 57.593 56.400 0.119 0.000 0.814 403 E CB -0.283 29.506 29.700 0.149 0.000 0.752 403 E HN 0.592 nan 8.360 nan 0.000 0.466 404 I N 1.540 122.152 120.570 0.070 0.000 2.252 404 I HA -0.244 3.932 4.170 0.010 0.000 0.245 404 I C 2.122 178.207 176.117 -0.054 0.000 1.102 404 I CA 0.800 62.138 61.300 0.064 0.000 1.385 404 I CB -0.264 37.846 38.000 0.182 0.000 1.064 404 I HN 0.071 nan 8.210 nan 0.000 0.414 405 N N 0.688 119.358 118.700 -0.051 0.000 2.142 405 N HA -0.164 4.582 4.740 0.010 0.000 0.186 405 N C 1.922 177.379 175.510 -0.088 0.000 1.023 405 N CA 1.157 54.160 53.050 -0.079 0.000 0.852 405 N CB -0.151 38.299 38.487 -0.061 0.000 0.998 405 N HN 0.204 nan 8.380 nan 0.000 0.424 406 L N 1.575 122.737 121.223 -0.101 0.000 2.083 406 L HA -0.038 4.308 4.340 0.010 0.000 0.209 406 L C 2.242 178.968 176.870 -0.240 0.000 1.083 406 L CA 1.347 56.091 54.840 -0.160 0.000 0.752 406 L CB -0.733 41.199 42.059 -0.213 0.000 0.899 406 L HN 0.048 nan 8.230 nan 0.000 0.433 407 A N -1.098 121.521 122.820 -0.335 0.000 1.877 407 A HA -0.159 4.167 4.320 0.010 0.000 0.216 407 A C 2.268 179.779 177.584 -0.121 0.000 1.186 407 A CA 2.061 53.869 52.037 -0.381 0.000 0.620 407 A CB -1.145 17.348 19.000 -0.844 0.000 0.822 407 A HN 0.289 nan 8.150 nan 0.000 0.443 408 V N 0.125 119.986 119.914 -0.089 0.000 2.255 408 V HA -0.293 3.833 4.120 0.010 0.000 0.247 408 V C 2.605 178.710 176.094 0.019 0.000 1.051 408 V CA 2.126 64.419 62.300 -0.011 0.000 1.018 408 V CB -0.825 30.910 31.823 -0.146 0.000 0.641 408 V HN 0.576 nan 8.190 nan 0.000 0.445 409 L N -0.571 120.624 121.223 -0.047 0.000 2.012 409 L HA -0.247 4.099 4.340 0.010 0.000 0.210 409 L C 2.632 179.532 176.870 0.050 0.000 1.073 409 L CA 2.256 57.086 54.840 -0.016 0.000 0.748 409 L CB -0.842 41.200 42.059 -0.027 0.000 0.891 409 L HN 0.493 nan 8.230 nan 0.000 0.431 410 H N -0.322 118.702 119.070 -0.077 0.000 2.321 410 H HA -0.139 4.423 4.556 0.011 0.000 0.300 410 H C 2.326 177.640 175.328 -0.023 0.000 1.087 410 H CA 1.968 57.964 56.048 -0.087 0.000 1.319 410 H CB -0.017 29.628 29.762 -0.195 0.000 1.379 410 H HN 0.157 nan 8.280 nan 0.000 0.501 411 S N -0.478 115.145 115.700 -0.129 0.000 2.368 411 S HA -0.105 4.371 4.470 0.010 0.000 0.224 411 S C 2.029 176.592 174.600 -0.062 0.000 1.029 411 S CA 1.226 59.338 58.200 -0.147 0.000 0.988 411 S CB -0.515 62.693 63.200 0.014 0.000 0.838 411 S HN 0.392 nan 8.310 nan 0.000 0.462 412 F N 1.982 121.867 119.950 -0.109 0.000 2.171 412 F HA -0.127 4.405 4.527 0.009 0.000 0.300 412 F C 2.783 178.530 175.800 -0.087 0.000 1.090 412 F CA 1.058 59.019 58.000 -0.065 0.000 1.293 412 F CB -0.274 38.712 39.000 -0.024 0.000 1.013 412 F HN 0.213 nan 8.300 nan 0.000 0.486 413 Q N -0.001 119.839 119.800 0.067 0.000 2.079 413 Q HA -0.195 4.151 4.340 0.010 0.000 0.200 413 Q C 2.364 178.316 176.000 -0.081 0.000 0.974 413 Q CA 1.219 57.016 55.803 -0.010 0.000 0.840 413 Q CB -0.284 28.446 28.738 -0.015 0.000 0.898 413 Q HN 0.480 nan 8.270 nan 0.000 0.430 414 L N 0.046 121.164 121.223 -0.174 0.000 2.017 414 L HA -0.148 4.198 4.340 0.010 0.000 0.208 414 L C 2.030 178.820 176.870 -0.134 0.000 1.073 414 L CA 1.106 55.829 54.840 -0.196 0.000 0.745 414 L CB -0.295 41.565 42.059 -0.331 0.000 0.894 414 L HN 0.199 nan 8.230 nan 0.000 0.432 415 A N -1.354 121.379 122.820 -0.144 0.000 2.235 415 A HA -0.056 4.270 4.320 0.010 0.000 0.208 415 A C 0.631 178.153 177.584 -0.103 0.000 1.172 415 A CA 0.053 52.009 52.037 -0.135 0.000 0.786 415 A CB -0.064 18.818 19.000 -0.196 0.000 0.804 415 A HN 0.389 nan 8.150 nan 0.000 0.479 416 K N -1.136 119.219 120.400 -0.077 0.000 3.150 416 K HA -0.126 4.200 4.320 0.010 0.000 0.267 416 K C -0.617 175.959 176.600 -0.041 0.000 1.028 416 K CA 0.773 57.028 56.287 -0.052 0.000 0.753 416 K CB -2.808 29.661 32.500 -0.052 0.000 1.288 416 K HN 0.300 nan 8.250 nan 0.000 0.473 417 V N 1.017 120.921 119.914 -0.017 0.000 2.417 417 V HA 0.213 4.339 4.120 0.010 0.000 0.291 417 V C 0.810 176.999 176.094 0.157 0.000 1.024 417 V CA -0.756 61.567 62.300 0.039 0.000 0.861 417 V CB 2.050 33.828 31.823 -0.075 0.000 0.985 417 V HN 0.319 nan 8.190 nan 0.000 0.436 418 T N 6.390 120.990 114.554 0.075 0.000 2.934 418 T HA 0.411 4.767 4.350 0.010 0.000 0.306 418 T C -0.230 174.528 174.700 0.095 0.000 1.042 418 T CA 0.870 62.940 62.100 -0.050 0.000 1.145 418 T CB 0.112 68.808 68.868 -0.286 0.000 0.982 418 T HN 0.595 nan 8.240 nan 0.000 0.544 419 I N 2.044 122.602 120.570 -0.019 0.000 2.842 419 I HA 0.568 4.744 4.170 0.010 0.000 0.296 419 I C -1.738 174.391 176.117 0.019 0.000 1.538 419 I CA -0.933 60.391 61.300 0.039 0.000 0.994 419 I CB 1.840 39.777 38.000 -0.105 0.000 1.372 419 I HN 0.451 nan 8.210 nan 0.000 0.478 420 V N 5.204 125.191 119.914 0.121 0.000 2.577 420 V HA 0.467 4.593 4.120 0.010 0.000 0.303 420 V C -1.047 175.094 176.094 0.078 0.000 1.042 420 V CA -0.258 62.115 62.300 0.122 0.000 0.872 420 V CB 2.084 34.065 31.823 0.264 0.000 0.998 420 V HN 0.869 nan 8.190 nan 0.000 0.423 421 D N 4.316 124.737 120.400 0.035 0.000 2.360 421 D HA 0.123 4.769 4.640 0.010 0.000 0.242 421 D C 1.316 177.605 176.300 -0.018 0.000 1.184 421 D CA 0.285 54.289 54.000 0.006 0.000 0.930 421 D CB 0.449 41.221 40.800 -0.045 0.000 1.161 421 D HN 0.743 nan 8.370 nan 0.000 0.447 422 H N 0.089 119.078 119.070 -0.136 0.000 2.489 422 H HA -0.142 4.420 4.556 0.010 0.000 0.293 422 H C 0.927 176.147 175.328 -0.180 0.000 1.066 422 H CA 1.300 57.237 56.048 -0.184 0.000 1.305 422 H CB -0.529 29.070 29.762 -0.272 0.000 1.386 422 H HN 0.529 nan 8.280 nan 0.000 0.551 423 H N 1.105 119.970 119.070 -0.341 0.000 2.333 423 H HA 0.172 4.733 4.556 0.010 0.000 0.302 423 H C 2.520 177.821 175.328 -0.045 0.000 1.075 423 H CA 1.297 57.239 56.048 -0.177 0.000 1.348 423 H CB -0.288 29.339 29.762 -0.226 0.000 1.393 423 H HN 0.506 nan 8.280 nan 0.000 0.509 424 A N 1.379 124.248 122.820 0.081 0.000 1.902 424 A HA -0.062 4.264 4.320 0.010 0.000 0.217 424 A C 2.677 180.328 177.584 0.113 0.000 1.181 424 A CA 1.673 53.763 52.037 0.088 0.000 0.623 424 A CB -0.767 18.276 19.000 0.071 0.000 0.818 424 A HN 0.423 nan 8.150 nan 0.000 0.443 425 A N -0.152 122.733 122.820 0.110 0.000 1.877 425 A HA -0.108 4.218 4.320 0.010 0.000 0.216 425 A C 2.454 180.133 177.584 0.159 0.000 1.186 425 A CA 2.572 54.694 52.037 0.141 0.000 0.620 425 A CB -1.413 17.658 19.000 0.119 0.000 0.822 425 A HN 0.743 nan 8.150 nan 0.000 0.443 426 T N -2.695 111.937 114.554 0.130 0.000 2.821 426 T HA -0.075 4.281 4.350 0.010 0.000 0.267 426 T C 1.688 176.514 174.700 0.209 0.000 1.046 426 T CA 1.364 63.563 62.100 0.166 0.000 1.139 426 T CB -0.712 68.227 68.868 0.118 0.000 0.871 426 T HN 0.046 nan 8.240 nan 0.000 0.454 427 V N 2.772 122.784 119.914 0.165 0.000 2.343 427 V HA -0.166 3.960 4.120 0.010 0.000 0.247 427 V C 3.214 179.397 176.094 0.149 0.000 1.051 427 V CA 2.077 64.464 62.300 0.145 0.000 1.036 427 V CB -0.878 31.011 31.823 0.111 0.000 0.654 427 V HN 0.806 nan 8.190 nan 0.000 0.451 428 S N -0.324 115.474 115.700 0.164 0.000 2.402 428 S HA -0.203 4.273 4.470 0.010 0.000 0.229 428 S C 1.960 176.679 174.600 0.198 0.000 1.021 428 S CA 1.406 59.703 58.200 0.162 0.000 0.974 428 S CB -0.706 62.596 63.200 0.169 0.000 0.800 428 S HN 0.509 nan 8.310 nan 0.000 0.484 429 F N 2.007 122.018 119.950 0.102 0.000 2.293 429 F HA 0.139 4.671 4.527 0.009 0.000 0.300 429 F C 2.184 178.070 175.800 0.142 0.000 1.086 429 F CA 1.007 59.080 58.000 0.121 0.000 1.375 429 F CB -0.291 38.761 39.000 0.086 0.000 1.045 429 F HN 0.115 nan 8.300 nan 0.000 0.516 430 M N -0.036 119.639 119.600 0.126 0.000 2.175 430 M HA -0.146 4.340 4.480 0.010 0.000 0.264 430 M C 2.190 178.469 176.300 -0.034 0.000 1.063 430 M CA 1.373 56.696 55.300 0.038 0.000 1.119 430 M CB -1.141 31.525 32.600 0.109 0.000 1.377 430 M HN 0.053 nan 8.290 nan 0.000 0.415 431 K N -0.209 120.198 120.400 0.012 0.000 2.057 431 K HA -0.199 4.127 4.320 0.010 0.000 0.207 431 K C 1.985 178.564 176.600 -0.034 0.000 1.049 431 K CA 1.750 58.039 56.287 0.004 0.000 0.931 431 K CB -0.650 31.875 32.500 0.042 0.000 0.714 431 K HN 0.356 nan 8.250 nan 0.000 0.440 432 H N 0.108 119.086 119.070 -0.154 0.000 2.352 432 H HA -0.038 4.524 4.556 0.010 0.000 0.299 432 H C 1.724 176.883 175.328 -0.282 0.000 1.097 432 H CA 2.273 58.197 56.048 -0.206 0.000 1.311 432 H CB -0.226 29.367 29.762 -0.283 0.000 1.377 432 H HN 0.174 nan 8.280 nan 0.000 0.504 433 L N -0.214 120.727 121.223 -0.469 0.000 2.042 433 L HA -0.179 4.167 4.340 0.010 0.000 0.210 433 L C 2.316 179.032 176.870 -0.257 0.000 1.076 433 L CA 1.804 56.395 54.840 -0.414 0.000 0.749 433 L CB -0.479 41.402 42.059 -0.298 0.000 0.893 433 L HN 0.396 nan 8.230 nan 0.000 0.432 434 D N -0.125 120.172 120.400 -0.173 0.000 2.144 434 D HA -0.177 4.469 4.640 0.010 0.000 0.200 434 D C 1.887 178.117 176.300 -0.116 0.000 0.978 434 D CA 1.149 55.084 54.000 -0.109 0.000 0.833 434 D CB 0.058 40.822 40.800 -0.061 0.000 0.961 434 D HN 0.153 nan 8.370 nan 0.000 0.470 435 N N 0.500 119.117 118.700 -0.139 0.000 2.084 435 N HA -0.118 4.628 4.740 0.010 0.000 0.190 435 N C 1.622 177.044 175.510 -0.147 0.000 1.030 435 N CA 0.882 53.867 53.050 -0.108 0.000 0.849 435 N CB -0.304 38.145 38.487 -0.064 0.000 1.012 435 N HN 0.314 nan 8.380 nan 0.000 0.423 436 E N 0.689 120.718 120.200 -0.285 0.000 2.204 436 E HA -0.158 4.198 4.350 0.010 0.000 0.194 436 E C 1.848 178.347 176.600 -0.168 0.000 0.989 436 E CA 0.533 56.768 56.400 -0.275 0.000 0.824 436 E CB -0.087 29.334 29.700 -0.464 0.000 0.756 436 E HN 0.324 nan 8.360 nan 0.000 0.477 437 Q N 1.546 121.257 119.800 -0.147 0.000 2.061 437 Q HA -0.138 4.208 4.340 0.010 0.000 0.204 437 Q C 1.790 177.744 176.000 -0.075 0.000 0.984 437 Q CA 1.762 57.509 55.803 -0.093 0.000 0.846 437 Q CB 0.010 28.703 28.738 -0.075 0.000 0.902 437 Q HN 0.143 nan 8.270 nan 0.000 0.421 438 K N -0.815 119.542 120.400 -0.071 0.000 2.062 438 K HA 0.019 4.345 4.320 0.010 0.000 0.205 438 K C 2.026 178.597 176.600 -0.049 0.000 1.051 438 K CA 1.054 57.310 56.287 -0.052 0.000 0.941 438 K CB -0.185 32.290 32.500 -0.042 0.000 0.719 438 K HN 0.237 nan 8.250 nan 0.000 0.440 439 A N 1.206 123.995 122.820 -0.051 0.000 1.929 439 A HA -0.054 4.272 4.320 0.010 0.000 0.216 439 A C 1.745 179.302 177.584 -0.044 0.000 1.176 439 A CA 1.104 53.121 52.037 -0.033 0.000 0.628 439 A CB 0.007 19.003 19.000 -0.007 0.000 0.816 439 A HN 0.165 nan 8.150 nan 0.000 0.444 440 R N -2.579 117.882 120.500 -0.066 0.000 2.541 440 R HA 0.259 4.605 4.340 0.010 0.000 0.332 440 R C 0.802 177.062 176.300 -0.067 0.000 0.951 440 R CA 0.488 56.551 56.100 -0.062 0.000 1.136 440 R CB 0.672 30.930 30.300 -0.069 0.000 1.449 440 R HN 0.666 nan 8.270 nan 0.000 0.531 441 G N 0.992 109.747 108.800 -0.075 0.000 2.160 441 G HA2 -0.181 3.785 3.960 0.010 0.000 0.244 441 G HA3 -0.181 3.785 3.960 0.010 0.000 0.244 441 G C 0.228 175.094 174.900 -0.057 0.000 1.022 441 G CA 0.127 45.175 45.100 -0.086 0.000 0.741 441 G HN 0.734 nan 8.290 nan 0.000 0.508 442 G N -2.441 106.337 108.800 -0.036 0.000 2.356 442 G HA2 0.534 4.500 3.960 0.010 0.000 0.300 442 G HA3 0.534 4.500 3.960 0.010 0.000 0.300 442 G C -0.762 174.147 174.900 0.016 0.000 1.331 442 G CA 0.446 45.559 45.100 0.022 0.000 0.905 442 G HN 2.010 nan 8.290 nan 0.000 0.587 443 C N 1.935 121.274 119.300 0.065 0.000 2.817 443 C HA 0.703 5.169 4.460 0.010 0.000 0.385 443 C C -2.570 172.396 174.990 -0.040 0.000 1.050 443 C CA -1.086 57.925 59.018 -0.010 0.000 1.245 443 C CB 1.220 28.902 27.740 -0.097 0.000 1.706 443 C HN 0.733 nan 8.230 nan 0.000 0.488 444 P HA 0.414 nan 4.420 nan 0.000 0.271 444 P C -0.644 176.536 177.300 -0.200 0.000 1.226 444 P CA 0.569 63.280 63.100 -0.647 0.000 0.765 444 P CB 1.100 32.138 31.700 -1.104 0.000 0.835 445 A N 2.621 125.390 122.820 -0.084 0.000 2.488 445 A HA 0.393 4.719 4.320 0.010 0.000 0.298 445 A C -1.023 176.600 177.584 0.066 0.000 1.044 445 A CA -0.573 51.500 52.037 0.060 0.000 0.693 445 A CB 1.304 20.453 19.000 0.248 0.000 1.272 445 A HN 0.451 nan 8.150 nan 0.000 0.402 446 D N 2.054 122.483 120.400 0.049 0.000 2.456 446 D HA 0.117 4.763 4.640 0.010 0.000 0.219 446 D C 0.848 177.277 176.300 0.215 0.000 1.126 446 D CA -0.455 53.611 54.000 0.110 0.000 0.890 446 D CB 0.318 41.118 40.800 0.002 0.000 1.025 446 D HN 0.608 nan 8.370 nan 0.000 0.511 447 W N 4.289 125.624 121.300 0.059 0.000 2.304 447 W HA -0.344 4.322 4.660 0.010 0.000 0.315 447 W C 1.990 178.539 176.519 0.050 0.000 1.233 447 W CA 2.579 59.945 57.345 0.035 0.000 1.261 447 W CB -0.044 29.413 29.460 -0.004 0.000 1.150 447 W HN 0.556 nan 8.180 nan 0.000 0.494 448 A N -1.299 121.796 122.820 0.458 0.000 2.024 448 A HA -0.212 4.114 4.320 0.010 0.000 0.220 448 A C 1.484 179.112 177.584 0.074 0.000 1.164 448 A CA 1.708 53.920 52.037 0.292 0.000 0.643 448 A CB -1.297 17.911 19.000 0.346 0.000 0.806 448 A HN 0.549 nan 8.150 nan 0.000 0.451 449 W N -1.076 120.188 121.300 -0.060 0.000 2.812 449 W HA 0.211 4.877 4.660 0.010 0.000 0.263 449 W C 1.811 178.210 176.519 -0.200 0.000 1.284 449 W CA -0.148 57.138 57.345 -0.097 0.000 1.430 449 W CB -0.018 29.413 29.460 -0.049 0.000 1.088 449 W HN 0.138 nan 8.180 nan 0.000 0.623 450 I N -0.344 120.176 120.570 -0.084 0.000 2.333 450 I HA -0.046 4.130 4.170 0.010 0.000 0.246 450 I C 0.687 176.589 176.117 -0.358 0.000 1.106 450 I CA 0.715 61.833 61.300 -0.304 0.000 1.411 450 I CB -1.372 36.375 38.000 -0.421 0.000 1.082 450 I HN -0.421 nan 8.210 nan 0.000 0.420 451 V N 3.897 123.508 119.914 -0.505 0.000 2.521 451 V HA 0.086 4.212 4.120 0.010 0.000 0.286 451 V C -1.902 174.005 176.094 -0.312 0.000 1.034 451 V CA -1.027 60.970 62.300 -0.505 0.000 1.045 451 V CB 0.294 31.555 31.823 -0.937 0.000 0.974 451 V HN 0.123 nan 8.190 nan 0.000 0.480 452 P HA 0.132 nan 4.420 nan 0.000 0.269 452 P C -1.816 175.357 177.300 -0.211 0.000 1.215 452 P CA -1.090 61.888 63.100 -0.203 0.000 0.780 452 P CB 0.067 31.657 31.700 -0.184 0.000 0.898 453 P HA -0.006 nan 4.420 nan 0.000 0.230 453 P C 0.166 177.352 177.300 -0.190 0.000 1.158 453 P CA 1.129 64.110 63.100 -0.199 0.000 0.769 453 P CB 0.024 31.601 31.700 -0.205 0.000 0.807 454 I N -6.882 113.538 120.570 -0.250 0.000 2.969 454 I HA 0.469 4.645 4.170 0.010 0.000 0.307 454 I C -0.010 175.987 176.117 -0.199 0.000 1.149 454 I CA -1.250 59.918 61.300 -0.219 0.000 1.008 454 I CB 1.957 39.803 38.000 -0.257 0.000 1.232 454 I HN -0.415 nan 8.210 nan 0.000 0.435 455 S N 2.148 117.789 115.700 -0.099 0.000 3.533 455 S HA -0.202 4.274 4.470 0.010 0.000 0.347 455 S C 1.396 175.976 174.600 -0.033 0.000 1.101 455 S CA 0.852 59.038 58.200 -0.023 0.000 1.009 455 S CB -1.669 61.590 63.200 0.099 0.000 0.916 455 S HN 1.267 nan 8.310 nan 0.000 0.496 456 G N 2.233 110.991 108.800 -0.071 0.000 2.631 456 G HA2 -0.333 3.633 3.960 0.010 0.000 0.219 456 G HA3 -0.333 3.633 3.960 0.010 0.000 0.219 456 G C 1.414 176.224 174.900 -0.150 0.000 1.214 456 G CA 1.545 46.622 45.100 -0.037 0.000 0.785 456 G HN 1.299 nan 8.290 nan 0.000 0.596 457 S N 0.205 115.564 115.700 -0.569 0.000 2.603 457 S HA 0.217 4.693 4.470 0.010 0.000 0.229 457 S C 1.990 176.506 174.600 -0.140 0.000 0.972 457 S CA 0.388 58.061 58.200 -0.877 0.000 0.935 457 S CB -0.130 62.347 63.200 -1.205 0.000 0.769 457 S HN 0.319 nan 8.310 nan 0.000 0.536 458 L N 1.884 123.092 121.223 -0.025 0.000 2.558 458 L HA 0.152 4.498 4.340 0.010 0.000 0.225 458 L C 1.269 178.256 176.870 0.196 0.000 1.128 458 L CA 0.461 55.367 54.840 0.110 0.000 0.868 458 L CB -0.775 41.375 42.059 0.151 0.000 1.006 458 L HN 0.492 nan 8.230 nan 0.000 0.454 459 T N -4.260 110.401 114.554 0.178 0.000 2.945 459 T HA 0.318 4.674 4.350 0.010 0.000 0.286 459 T C -1.672 173.187 174.700 0.266 0.000 1.025 459 T CA -1.950 60.276 62.100 0.211 0.000 1.039 459 T CB 1.967 70.920 68.868 0.142 0.000 1.068 459 T HN -0.202 nan 8.240 nan 0.000 0.497 460 P HA -0.076 nan 4.420 nan 0.000 0.219 460 P C 1.817 179.309 177.300 0.320 0.000 1.150 460 P CA 1.081 64.371 63.100 0.317 0.000 0.814 460 P CB -0.343 31.493 31.700 0.227 0.000 0.787 461 V N -3.535 116.519 119.914 0.233 0.000 2.626 461 V HA -0.198 3.928 4.120 0.010 0.000 0.252 461 V C 2.410 178.598 176.094 0.157 0.000 1.067 461 V CA 1.216 63.629 62.300 0.189 0.000 1.081 461 V CB -2.265 29.605 31.823 0.078 0.000 0.686 461 V HN -0.107 nan 8.190 nan 0.000 0.468 462 F N 1.781 121.693 119.950 -0.063 0.000 2.126 462 F HA -0.188 4.345 4.527 0.010 0.000 0.299 462 F C 2.484 178.351 175.800 0.112 0.000 1.096 462 F CA 2.266 60.226 58.000 -0.067 0.000 1.255 462 F CB -0.261 38.566 39.000 -0.288 0.000 0.997 462 F HN 0.266 nan 8.300 nan 0.000 0.479 463 H N -0.720 118.705 119.070 0.593 0.000 2.543 463 H HA 0.083 4.645 4.556 0.010 0.000 0.269 463 H C 0.193 175.780 175.328 0.433 0.000 1.005 463 H CA 0.327 56.676 56.048 0.502 0.000 1.146 463 H CB -0.333 29.685 29.762 0.427 0.000 1.353 463 H HN 0.285 nan 8.280 nan 0.000 0.595 464 Q N 1.812 121.882 119.800 0.450 0.000 2.347 464 Q HA 0.181 4.527 4.340 0.010 0.000 0.262 464 Q C -0.604 175.623 176.000 0.377 0.000 0.980 464 Q CA -0.498 55.525 55.803 0.368 0.000 0.867 464 Q CB 0.967 29.888 28.738 0.305 0.000 1.242 464 Q HN 0.226 nan 8.270 nan 0.000 0.453 465 E N 3.284 123.657 120.200 0.289 0.000 2.390 465 E HA 0.310 4.666 4.350 0.010 0.000 0.261 465 E C -0.473 176.257 176.600 0.217 0.000 1.076 465 E CA 0.220 56.744 56.400 0.207 0.000 0.905 465 E CB 0.845 30.642 29.700 0.162 0.000 0.984 465 E HN 0.597 nan 8.360 nan 0.000 0.427 466 M N 1.072 120.794 119.600 0.203 0.000 2.531 466 M HA 0.363 4.849 4.480 0.010 0.000 0.286 466 M C -1.268 175.132 176.300 0.167 0.000 1.232 466 M CA -0.979 54.450 55.300 0.214 0.000 0.877 466 M CB 2.403 35.183 32.600 0.301 0.000 1.726 466 M HN 0.146 nan 8.290 nan 0.000 0.463 467 V N 1.516 121.537 119.914 0.180 0.000 2.459 467 V HA 0.435 4.561 4.120 0.010 0.000 0.295 467 V C -0.619 175.580 176.094 0.175 0.000 1.029 467 V CA -0.683 61.751 62.300 0.223 0.000 0.874 467 V CB 1.614 33.633 31.823 0.326 0.000 0.985 467 V HN 0.885 nan 8.190 nan 0.000 0.438 468 N N 3.355 122.154 118.700 0.165 0.000 2.342 468 N HA 0.709 5.455 4.740 0.010 0.000 0.293 468 N C -1.653 173.943 175.510 0.143 0.000 1.026 468 N CA -0.426 52.633 53.050 0.016 0.000 0.857 468 N CB 1.829 40.335 38.487 0.033 0.000 1.256 468 N HN 0.742 nan 8.380 nan 0.000 0.484 469 Y N 0.716 121.032 120.300 0.026 0.000 2.713 469 Y HA 0.499 5.055 4.550 0.010 0.000 0.335 469 Y C -1.394 174.507 175.900 0.001 0.000 1.222 469 Y CA -1.170 56.940 58.100 0.017 0.000 1.061 469 Y CB 0.788 39.264 38.460 0.026 0.000 1.314 469 Y HN 0.167 nan 8.280 nan 0.000 0.453 470 I N 3.398 124.074 120.570 0.176 0.000 2.321 470 I HA 0.416 4.592 4.170 0.010 0.000 0.291 470 I C -0.760 175.429 176.117 0.120 0.000 0.998 470 I CA -0.471 60.874 61.300 0.076 0.000 1.227 470 I CB 1.037 39.062 38.000 0.041 0.000 1.368 470 I HN 0.414 nan 8.210 nan 0.000 0.466 471 L N 5.031 126.295 121.223 0.069 0.000 2.333 471 L HA 0.585 4.931 4.340 0.010 0.000 0.269 471 L C -0.065 176.810 176.870 0.010 0.000 1.010 471 L CA -0.536 54.347 54.840 0.071 0.000 0.818 471 L CB 2.092 44.197 42.059 0.077 0.000 1.306 471 L HN 0.513 nan 8.230 nan 0.000 0.430 472 S N 1.485 117.199 115.700 0.023 0.000 2.542 472 S HA 0.646 5.122 4.470 0.010 0.000 0.293 472 S C -2.603 172.018 174.600 0.034 0.000 1.089 472 S CA -1.432 56.767 58.200 -0.003 0.000 0.961 472 S CB 1.923 65.133 63.200 0.016 0.000 1.062 472 S HN 0.241 nan 8.310 nan 0.000 0.483 473 P HA 0.367 nan 4.420 nan 0.000 0.267 473 P C -1.215 175.969 177.300 -0.194 0.000 1.201 473 P CA 0.099 63.113 63.100 -0.144 0.000 0.775 473 P CB 0.440 32.013 31.700 -0.212 0.000 0.854 474 A N 1.345 124.005 122.820 -0.267 0.000 2.601 474 A HA 0.674 5.000 4.320 0.010 0.000 0.291 474 A C -1.679 175.686 177.584 -0.365 0.000 1.075 474 A CA -0.515 51.366 52.037 -0.261 0.000 0.671 474 A CB 0.726 19.648 19.000 -0.130 0.000 1.277 474 A HN 0.319 nan 8.150 nan 0.000 0.417 475 F N 0.872 120.737 119.950 -0.142 0.000 2.420 475 F HA 0.695 5.228 4.527 0.009 0.000 0.342 475 F C 0.936 176.623 175.800 -0.188 0.000 1.113 475 F CA 0.089 58.006 58.000 -0.138 0.000 1.059 475 F CB 1.874 40.766 39.000 -0.179 0.000 1.128 475 F HN 0.546 nan 8.300 nan 0.000 0.475 476 R N 1.725 122.234 120.500 0.015 0.000 2.837 476 R HA 0.465 4.811 4.340 0.010 0.000 0.271 476 R C -1.582 174.684 176.300 -0.056 0.000 0.993 476 R CA -1.216 54.822 56.100 -0.103 0.000 0.931 476 R CB 1.682 31.956 30.300 -0.043 0.000 1.206 476 R HN 0.400 nan 8.270 nan 0.000 0.474 477 Y N 1.414 121.732 120.300 0.030 0.000 2.326 477 Y HA 0.138 4.694 4.550 0.010 0.000 0.333 477 Y C 0.652 176.549 175.900 -0.005 0.000 1.240 477 Y CA -0.097 58.013 58.100 0.016 0.000 1.365 477 Y CB 0.768 39.227 38.460 -0.000 0.000 1.289 477 Y HN 0.454 nan 8.280 nan 0.000 0.548 478 Q N 1.296 121.184 119.800 0.146 0.000 2.416 478 Q HA 0.636 4.982 4.340 0.010 0.000 0.281 478 Q C -3.158 172.807 176.000 -0.057 0.000 1.067 478 Q CA -2.508 53.312 55.803 0.030 0.000 0.809 478 Q CB 2.206 30.951 28.738 0.012 0.000 1.418 478 Q HN 0.266 nan 8.270 nan 0.000 0.411 479 P HA 0.060 nan 4.420 nan 0.000 0.269 479 P C -0.952 176.128 177.300 -0.368 0.000 1.209 479 P CA 0.009 62.979 63.100 -0.216 0.000 0.776 479 P CB 0.426 32.014 31.700 -0.185 0.000 0.876 480 D N 3.762 123.806 120.400 -0.592 0.000 2.443 480 D HA -0.008 4.638 4.640 0.010 0.000 0.239 480 D C -1.034 174.655 176.300 -1.018 0.000 1.136 480 D CA -0.812 52.541 54.000 -1.078 0.000 0.879 480 D CB 0.313 39.953 40.800 -1.933 0.000 1.195 480 D HN 0.311 nan 8.370 nan 0.000 0.443 481 P HA -0.073 nan 4.420 nan 0.000 0.226 481 P C 0.290 177.207 177.300 -0.639 0.000 1.153 481 P CA 0.721 63.388 63.100 -0.722 0.000 0.777 481 P CB 0.129 31.384 31.700 -0.743 0.000 0.794 482 W N 0.000 120.855 121.300 -0.742 0.000 2.388 482 W HA 0.000 4.666 4.660 0.009 0.000 0.303 482 W CA 0.000 57.085 57.345 -0.434 0.000 1.226 482 W CB 0.000 29.206 29.460 -0.423 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535