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 1dmk_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 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.837 174.900 -0.105 0.000 0.946 67 G CA 0.000 45.078 45.100 -0.038 0.000 0.502 68 P HA 0.228 nan 4.420 nan 0.000 0.266 68 P C 0.046 177.290 177.300 -0.093 0.000 1.193 68 P CA 0.039 62.970 63.100 -0.282 0.000 0.770 68 P CB 0.877 32.097 31.700 -0.800 0.000 0.836 69 K N 2.026 122.343 120.400 -0.137 0.000 2.589 69 K HA 0.079 4.404 4.320 0.009 0.000 0.204 69 K C -0.569 175.728 176.600 -0.505 0.000 1.029 69 K CA 0.084 56.180 56.287 -0.317 0.000 1.177 69 K CB -0.257 31.981 32.500 -0.438 0.000 0.902 69 K HN 0.346 nan 8.250 nan 0.000 0.501 70 F N 0.412 120.396 119.950 0.056 0.000 2.594 70 F HA 0.406 4.939 4.527 0.009 0.000 0.335 70 F C -2.032 173.883 175.800 0.192 0.000 1.058 70 F CA -2.983 55.077 58.000 0.100 0.000 0.981 70 F CB 0.358 39.412 39.000 0.091 0.000 1.289 70 F HN -0.099 nan 8.300 nan 0.000 0.490 71 P HA 0.051 nan 4.420 nan 0.000 0.264 71 P C -0.766 176.608 177.300 0.124 0.000 1.193 71 P CA -0.043 63.161 63.100 0.174 0.000 0.763 71 P CB 0.422 32.195 31.700 0.121 0.000 0.810 72 R N 3.090 123.585 120.500 -0.008 0.000 2.254 72 R HA 0.405 4.751 4.340 0.009 0.000 0.318 72 R C -1.208 174.970 176.300 -0.204 0.000 1.031 72 R CA -0.512 55.373 56.100 -0.358 0.000 0.905 72 R CB 0.516 30.639 30.300 -0.296 0.000 1.050 72 R HN 0.228 nan 8.270 nan 0.000 0.456 73 V N 5.211 124.976 119.914 -0.248 0.000 2.409 73 V HA 0.350 4.475 4.120 0.009 0.000 0.291 73 V C -0.300 175.728 176.094 -0.109 0.000 1.020 73 V CA -0.731 61.514 62.300 -0.092 0.000 0.848 73 V CB 1.518 33.327 31.823 -0.024 0.000 0.990 73 V HN 0.718 nan 8.190 nan 0.000 0.430 74 K N 3.888 124.261 120.400 -0.045 0.000 2.259 74 K HA 0.446 4.771 4.320 0.009 0.000 0.252 74 K C -0.710 175.896 176.600 0.009 0.000 0.936 74 K CA -0.711 55.497 56.287 -0.132 0.000 0.810 74 K CB 1.590 33.859 32.500 -0.384 0.000 1.143 74 K HN 0.709 nan 8.250 nan 0.000 0.427 75 N N 4.054 122.736 118.700 -0.030 0.000 2.444 75 N HA 0.109 4.855 4.740 0.009 0.000 0.262 75 N C -0.368 175.189 175.510 0.078 0.000 0.974 75 N CA -0.370 52.765 53.050 0.141 0.000 0.933 75 N CB 0.511 39.067 38.487 0.114 0.000 1.137 75 N HN 0.664 nan 8.380 nan 0.000 0.498 76 W N 2.131 123.515 121.300 0.140 0.000 2.905 76 W HA 0.147 4.812 4.660 0.009 0.000 0.251 76 W C 2.047 178.621 176.519 0.092 0.000 1.305 76 W CA -0.114 57.303 57.345 0.119 0.000 1.465 76 W CB 0.190 29.739 29.460 0.148 0.000 1.122 76 W HN 0.668 nan 8.180 nan 0.000 0.659 77 E N 0.559 120.925 120.200 0.276 0.000 2.076 77 E HA -0.120 4.235 4.350 0.009 0.000 0.190 77 E C 1.673 178.316 176.600 0.072 0.000 0.979 77 E CA 1.111 57.576 56.400 0.108 0.000 0.807 77 E CB -0.220 29.521 29.700 0.067 0.000 0.761 77 E HN 0.255 nan 8.360 nan 0.000 0.454 78 L N -0.952 120.314 121.223 0.072 0.000 2.513 78 L HA 0.328 4.673 4.340 0.009 0.000 0.222 78 L C 1.619 178.483 176.870 -0.010 0.000 1.096 78 L CA 0.404 55.262 54.840 0.029 0.000 0.857 78 L CB 0.462 42.541 42.059 0.034 0.000 1.026 78 L HN 0.415 nan 8.230 nan 0.000 0.469 79 G N 0.525 109.298 108.800 -0.045 0.000 2.184 79 G HA2 -0.316 3.649 3.960 0.009 0.000 0.264 79 G HA3 -0.316 3.649 3.960 0.009 0.000 0.264 79 G C 0.412 175.229 174.900 -0.139 0.000 0.975 79 G CA 0.440 45.462 45.100 -0.131 0.000 0.642 79 G HN 0.467 nan 8.290 nan 0.000 0.536 80 S N 0.186 115.833 115.700 -0.089 0.000 2.580 80 S HA 0.750 5.226 4.470 0.009 0.000 0.274 80 S C 0.207 174.742 174.600 -0.109 0.000 1.329 80 S CA -0.577 57.578 58.200 -0.075 0.000 1.036 80 S CB 1.958 65.138 63.200 -0.033 0.000 0.919 80 S HN 0.435 nan 8.310 nan 0.000 0.515 81 I N 2.078 122.588 120.570 -0.101 0.000 2.646 81 I HA 0.623 4.798 4.170 0.009 0.000 0.299 81 I C 0.362 176.412 176.117 -0.112 0.000 1.036 81 I CA -0.244 60.969 61.300 -0.145 0.000 1.074 81 I CB 1.719 39.624 38.000 -0.159 0.000 1.258 81 I HN 1.071 nan 8.210 nan 0.000 0.430 82 T N 1.420 115.863 114.554 -0.185 0.000 2.843 82 T HA 0.674 5.030 4.350 0.009 0.000 0.302 82 T C -1.480 173.062 174.700 -0.262 0.000 1.232 82 T CA -0.703 61.336 62.100 -0.101 0.000 1.009 82 T CB 1.886 70.730 68.868 -0.040 0.000 1.254 82 T HN 0.261 nan 8.240 nan 0.000 0.504 83 Y N 0.339 120.635 120.300 -0.007 0.000 2.350 83 Y HA 0.475 5.030 4.550 0.009 0.000 0.338 83 Y C -0.118 175.761 175.900 -0.034 0.000 0.961 83 Y CA -0.926 57.182 58.100 0.013 0.000 1.100 83 Y CB 1.779 40.258 38.460 0.032 0.000 1.179 83 Y HN 0.738 nan 8.280 nan 0.000 0.454 84 D N 2.160 122.633 120.400 0.122 0.000 2.339 84 D HA 0.076 4.721 4.640 0.009 0.000 0.241 84 D C 0.727 177.005 176.300 -0.037 0.000 1.183 84 D CA 0.187 54.214 54.000 0.045 0.000 0.859 84 D CB 1.245 42.097 40.800 0.088 0.000 1.067 84 D HN 0.798 nan 8.370 nan 0.000 0.484 85 T N 1.157 115.567 114.554 -0.240 0.000 3.014 85 T HA -0.057 4.299 4.350 0.009 0.000 0.250 85 T C 1.887 176.436 174.700 -0.253 0.000 1.060 85 T CA -0.242 61.527 62.100 -0.551 0.000 1.040 85 T CB 0.081 68.419 68.868 -0.882 0.000 0.971 85 T HN 0.258 nan 8.240 nan 0.000 0.497 86 L N 2.572 123.700 121.223 -0.158 0.000 2.131 86 L HA 0.009 4.354 4.340 0.009 0.000 0.210 86 L C 2.595 179.339 176.870 -0.210 0.000 1.092 86 L CA 1.306 56.090 54.840 -0.093 0.000 0.759 86 L CB -0.944 41.139 42.059 0.039 0.000 0.903 86 L HN 0.674 nan 8.230 nan 0.000 0.435 87 C N -1.670 117.316 119.300 -0.523 0.000 2.430 87 C HA 0.113 4.578 4.460 0.009 0.000 0.288 87 C C 2.693 177.474 174.990 -0.349 0.000 1.448 87 C CA 0.095 58.523 59.018 -0.983 0.000 1.784 87 C CB -2.322 24.757 27.740 -1.101 0.000 1.776 87 C HN 0.569 nan 8.230 nan 0.000 0.547 88 A N -0.026 122.724 122.820 -0.118 0.000 2.119 88 A HA -0.020 4.305 4.320 0.009 0.000 0.217 88 A C 2.279 179.860 177.584 -0.004 0.000 1.153 88 A CA 1.030 53.073 52.037 0.011 0.000 0.692 88 A CB -0.378 18.718 19.000 0.160 0.000 0.799 88 A HN 0.672 nan 8.150 nan 0.000 0.458 89 Q N 0.006 119.791 119.800 -0.025 0.000 2.432 89 Q HA 0.059 4.405 4.340 0.009 0.000 0.205 89 Q C 0.837 176.860 176.000 0.038 0.000 0.945 89 Q CA 0.360 56.173 55.803 0.017 0.000 0.924 89 Q CB -0.321 28.436 28.738 0.031 0.000 1.016 89 Q HN 0.508 nan 8.270 nan 0.000 0.503 90 S N 0.975 116.691 115.700 0.027 0.000 2.533 90 S HA 0.017 4.493 4.470 0.009 0.000 0.282 90 S C 0.899 175.529 174.600 0.050 0.000 1.304 90 S CA -0.049 58.195 58.200 0.073 0.000 1.063 90 S CB 0.571 63.832 63.200 0.101 0.000 0.881 90 S HN 0.097 nan 8.310 nan 0.000 0.493 91 Q N 2.522 122.355 119.800 0.055 0.000 2.353 91 Q HA 0.179 4.524 4.340 0.009 0.000 0.240 91 Q C 0.268 176.291 176.000 0.039 0.000 0.868 91 Q CA 0.287 56.116 55.803 0.043 0.000 0.944 91 Q CB 0.139 28.904 28.738 0.045 0.000 1.104 91 Q HN 0.834 nan 8.270 nan 0.000 0.531 92 Q N 1.675 121.502 119.800 0.044 0.000 2.257 92 Q HA 0.146 4.491 4.340 0.009 0.000 0.255 92 Q C -0.956 175.070 176.000 0.043 0.000 0.920 92 Q CA -0.310 55.515 55.803 0.036 0.000 0.927 92 Q CB 0.975 29.730 28.738 0.028 0.000 1.229 92 Q HN -0.062 nan 8.270 nan 0.000 0.433 93 D N 2.556 122.976 120.400 0.034 0.000 2.339 93 D HA 0.271 4.916 4.640 0.009 0.000 0.245 93 D C 0.084 176.406 176.300 0.037 0.000 1.115 93 D CA 0.171 54.193 54.000 0.037 0.000 0.917 93 D CB 1.320 42.136 40.800 0.028 0.000 1.192 93 D HN 0.723 nan 8.370 nan 0.000 0.428 94 G N 0.378 109.205 108.800 0.044 0.000 2.583 94 G HA2 0.341 4.306 3.960 0.009 0.000 0.280 94 G HA3 0.341 4.306 3.960 0.009 0.000 0.280 94 G C -1.613 173.309 174.900 0.035 0.000 1.376 94 G CA -0.622 44.502 45.100 0.041 0.000 1.043 94 G HN 0.293 nan 8.290 nan 0.000 0.538 95 P HA 0.127 nan 4.420 nan 0.000 0.230 95 P C 0.459 177.778 177.300 0.031 0.000 1.168 95 P CA 0.083 63.203 63.100 0.033 0.000 0.793 95 P CB 0.173 31.895 31.700 0.036 0.000 0.851 96 C N 1.009 120.329 119.300 0.034 0.000 2.595 96 C HA 0.547 5.012 4.460 0.009 0.000 0.384 96 C C 1.137 176.142 174.990 0.025 0.000 1.289 96 C CA 0.185 59.221 59.018 0.030 0.000 2.372 96 C CB 0.546 28.307 27.740 0.035 0.000 2.593 96 C HN 0.386 nan 8.230 nan 0.000 0.639 97 T N -1.792 112.774 114.554 0.020 0.000 2.841 97 T HA 0.419 4.775 4.350 0.009 0.000 0.296 97 T C -2.501 172.206 174.700 0.012 0.000 1.166 97 T CA -1.082 61.027 62.100 0.015 0.000 1.007 97 T CB 1.283 70.159 68.868 0.013 0.000 1.253 97 T HN 0.264 nan 8.240 nan 0.000 0.511 98 P HA 0.020 nan 4.420 nan 0.000 0.221 98 P C 1.504 178.807 177.300 0.005 0.000 1.145 98 P CA 0.549 63.653 63.100 0.007 0.000 0.795 98 P CB 0.166 31.868 31.700 0.004 0.000 0.775 99 R N -0.228 120.276 120.500 0.006 0.000 2.075 99 R HA 0.078 4.423 4.340 0.009 0.000 0.226 99 R C 1.236 177.539 176.300 0.005 0.000 1.114 99 R CA 1.144 57.247 56.100 0.005 0.000 0.972 99 R CB -0.533 29.770 30.300 0.005 0.000 0.869 99 R HN 0.304 nan 8.270 nan 0.000 0.437 100 R N -0.339 120.165 120.500 0.007 0.000 2.626 100 R HA 0.220 4.565 4.340 0.009 0.000 0.274 100 R C -1.276 175.031 176.300 0.011 0.000 1.031 100 R CA -0.655 55.450 56.100 0.008 0.000 0.898 100 R CB 0.489 30.794 30.300 0.008 0.000 1.222 100 R HN 0.031 nan 8.270 nan 0.000 0.455 101 C N 4.216 123.522 119.300 0.010 0.000 2.347 101 C HA 0.514 4.979 4.460 0.009 0.000 0.353 101 C C 0.872 175.875 174.990 0.022 0.000 1.273 101 C CA -0.648 58.379 59.018 0.015 0.000 1.861 101 C CB -0.930 26.814 27.740 0.006 0.000 2.420 101 C HN 0.781 nan 8.230 nan 0.000 0.542 102 L N 5.867 127.108 121.223 0.031 0.000 3.017 102 L HA 0.273 4.618 4.340 0.009 0.000 0.255 102 L C 2.084 178.986 176.870 0.054 0.000 1.247 102 L CA 0.230 55.093 54.840 0.039 0.000 1.038 102 L CB -0.204 41.877 42.059 0.036 0.000 1.380 102 L HN 1.028 nan 8.230 nan 0.000 0.548 103 G N 0.420 109.252 108.800 0.054 0.000 2.479 103 G HA2 -0.269 3.696 3.960 0.009 0.000 0.220 103 G HA3 -0.269 3.696 3.960 0.009 0.000 0.220 103 G C 1.586 176.552 174.900 0.111 0.000 1.115 103 G CA 1.210 46.354 45.100 0.074 0.000 0.757 103 G HN 0.522 nan 8.290 nan 0.000 0.560 104 S N -0.394 115.371 115.700 0.107 0.000 2.548 104 S HA 0.316 4.791 4.470 0.009 0.000 0.215 104 S C 0.941 175.637 174.600 0.159 0.000 0.976 104 S CA -0.521 57.767 58.200 0.146 0.000 0.908 104 S CB -0.088 63.178 63.200 0.110 0.000 0.781 104 S HN 0.150 nan 8.310 nan 0.000 0.519 105 L N 2.232 123.529 121.223 0.123 0.000 2.453 105 L HA 0.174 4.519 4.340 0.009 0.000 0.272 105 L C 1.490 178.459 176.870 0.165 0.000 1.182 105 L CA -0.417 54.493 54.840 0.118 0.000 0.858 105 L CB 0.717 42.824 42.059 0.079 0.000 1.120 105 L HN 0.059 nan 8.230 nan 0.000 0.474 106 V N 4.479 124.504 119.914 0.186 0.000 2.379 106 V HA -0.155 3.971 4.120 0.009 0.000 0.245 106 V C 1.063 177.244 176.094 0.146 0.000 1.044 106 V CA 1.391 63.842 62.300 0.251 0.000 1.036 106 V CB -0.220 31.752 31.823 0.249 0.000 0.664 106 V HN 0.572 nan 8.190 nan 0.000 0.453 107 L N 1.132 122.399 121.223 0.073 0.000 2.637 107 L HA 0.397 4.742 4.340 0.009 0.000 0.241 107 L C -2.645 174.255 176.870 0.050 0.000 1.398 107 L CA -1.272 53.592 54.840 0.039 0.000 0.895 107 L CB 0.791 42.808 42.059 -0.069 0.000 1.183 107 L HN 0.196 nan 8.230 nan 0.000 0.497 108 P HA 0.177 nan 4.420 nan 0.000 0.275 108 P C -0.122 177.205 177.300 0.046 0.000 1.227 108 P CA -0.534 62.596 63.100 0.050 0.000 0.781 108 P CB 0.611 32.341 31.700 0.051 0.000 0.906 109 R N 3.480 123.998 120.500 0.030 0.000 4.154 109 R HA 0.109 4.455 4.340 0.009 0.000 0.186 109 R C 0.486 176.800 176.300 0.024 0.000 1.750 109 R CA 0.316 56.431 56.100 0.025 0.000 1.431 109 R CB -0.385 29.923 30.300 0.013 0.000 1.383 109 R HN 0.416 nan 8.270 nan 0.000 0.788 110 K N 0.009 120.427 120.400 0.030 0.000 2.830 110 K HA 0.245 4.570 4.320 0.009 0.000 0.250 110 K C 1.945 178.559 176.600 0.023 0.000 1.395 110 K CA -0.217 56.084 56.287 0.024 0.000 0.886 110 K CB -0.787 31.728 32.500 0.024 0.000 1.889 110 K HN 0.079 nan 8.250 nan 0.000 0.368 111 L N 1.876 123.112 121.223 0.022 0.000 2.030 111 L HA -0.230 4.116 4.340 0.009 0.000 0.222 111 L C 0.787 177.671 176.870 0.024 0.000 1.082 111 L CA 1.136 55.983 54.840 0.011 0.000 0.785 111 L CB -0.676 41.378 42.059 -0.008 0.000 0.895 111 L HN 0.433 nan 8.230 nan 0.000 0.439 112 Q N 1.660 121.492 119.800 0.053 0.000 4.078 112 Q HA -0.187 4.158 4.340 0.009 0.000 0.380 112 Q C 0.193 176.209 176.000 0.027 0.000 1.164 112 Q CA 0.874 56.712 55.803 0.058 0.000 1.246 112 Q CB -0.319 28.444 28.738 0.041 0.000 1.084 112 Q HN 0.431 nan 8.270 nan 0.000 0.492 113 T N 2.244 116.814 114.554 0.027 0.000 4.219 113 T HA 0.263 4.618 4.350 0.009 0.000 0.263 113 T C 0.208 174.902 174.700 -0.009 0.000 1.217 113 T CA -0.701 61.402 62.100 0.006 0.000 1.145 113 T CB -0.002 68.871 68.868 0.008 0.000 1.298 113 T HN 0.443 nan 8.240 nan 0.000 0.999 114 R N 2.781 123.272 120.500 -0.015 0.000 2.623 114 R HA 0.261 4.606 4.340 0.009 0.000 0.271 114 R C -2.433 173.847 176.300 -0.034 0.000 1.043 114 R CA -1.704 54.377 56.100 -0.031 0.000 1.083 114 R CB -0.417 29.867 30.300 -0.027 0.000 0.974 114 R HN 0.293 nan 8.270 nan 0.000 0.436 115 P HA -0.009 nan 4.420 nan 0.000 0.258 115 P C -1.058 176.224 177.300 -0.030 0.000 1.187 115 P CA 0.511 63.587 63.100 -0.041 0.000 0.767 115 P CB 0.527 32.197 31.700 -0.051 0.000 0.770 116 S N 3.371 119.055 115.700 -0.027 0.000 2.497 116 S HA 0.362 4.838 4.470 0.009 0.000 0.176 116 S C -1.639 172.948 174.600 -0.020 0.000 1.445 116 S CA -1.192 56.996 58.200 -0.021 0.000 1.092 116 S CB -0.012 63.176 63.200 -0.020 0.000 1.216 116 S HN 0.167 nan 8.310 nan 0.000 0.486 117 P HA -0.057 nan 4.420 nan 0.000 0.207 117 P C 1.035 178.328 177.300 -0.012 0.000 0.954 117 P CA 1.273 64.364 63.100 -0.014 0.000 0.990 117 P CB -0.715 30.979 31.700 -0.011 0.000 0.721 118 G N 1.269 110.064 108.800 -0.008 0.000 2.163 118 G HA2 0.039 4.005 3.960 0.009 0.000 0.239 118 G HA3 0.039 4.005 3.960 0.009 0.000 0.239 118 G C -2.193 172.702 174.900 -0.007 0.000 1.148 118 G CA -0.498 44.599 45.100 -0.005 0.000 0.880 118 G HN 0.202 nan 8.290 nan 0.000 0.466 119 P HA 0.008 nan 4.420 nan 0.000 0.265 119 P C -1.693 175.605 177.300 -0.004 0.000 1.167 119 P CA -0.307 62.789 63.100 -0.007 0.000 0.760 119 P CB 0.118 31.817 31.700 -0.001 0.000 0.783 120 P HA 0.245 nan 4.420 nan 0.000 0.274 120 P C -2.553 174.752 177.300 0.008 0.000 1.237 120 P CA -1.711 61.388 63.100 -0.001 0.000 0.793 120 P CB -0.469 31.228 31.700 -0.005 0.000 0.977 121 P HA 0.019 nan 4.420 nan 0.000 0.261 121 P C 0.953 178.266 177.300 0.021 0.000 1.203 121 P CA 0.307 63.415 63.100 0.014 0.000 0.767 121 P CB -0.019 31.688 31.700 0.012 0.000 0.785 122 A N 4.698 127.531 122.820 0.022 0.000 1.971 122 A HA -0.270 4.055 4.320 0.009 0.000 0.222 122 A C 1.988 179.588 177.584 0.027 0.000 1.182 122 A CA 1.641 53.694 52.037 0.028 0.000 0.649 122 A CB -0.548 18.467 19.000 0.025 0.000 0.818 122 A HN 0.466 nan 8.150 nan 0.000 0.458 123 E N -0.646 119.567 120.200 0.021 0.000 2.046 123 E HA -0.196 4.160 4.350 0.009 0.000 0.190 123 E C 2.210 178.825 176.600 0.024 0.000 0.982 123 E CA 1.494 57.906 56.400 0.019 0.000 0.800 123 E CB -0.597 29.111 29.700 0.014 0.000 0.756 123 E HN 0.938 nan 8.360 nan 0.000 0.449 124 Q N 1.099 120.914 119.800 0.025 0.000 2.061 124 Q HA -0.129 4.217 4.340 0.009 0.000 0.204 124 Q C 2.230 178.254 176.000 0.041 0.000 0.984 124 Q CA 1.445 57.264 55.803 0.028 0.000 0.846 124 Q CB -0.470 28.281 28.738 0.022 0.000 0.902 124 Q HN 0.279 nan 8.270 nan 0.000 0.421 125 L N -0.334 120.917 121.223 0.047 0.000 2.056 125 L HA -0.139 4.206 4.340 0.009 0.000 0.207 125 L C 2.242 179.165 176.870 0.088 0.000 1.078 125 L CA 0.793 55.680 54.840 0.078 0.000 0.749 125 L CB -0.299 41.812 42.059 0.086 0.000 0.901 125 L HN 0.447 nan 8.230 nan 0.000 0.433 126 L N -0.044 121.210 121.223 0.051 0.000 1.989 126 L HA -0.218 4.128 4.340 0.009 0.000 0.211 126 L C 2.972 179.857 176.870 0.025 0.000 1.071 126 L CA 2.412 57.263 54.840 0.018 0.000 0.749 126 L CB -1.249 40.814 42.059 0.007 0.000 0.890 126 L HN 0.470 nan 8.230 nan 0.000 0.431 127 S N -1.419 114.303 115.700 0.036 0.000 2.399 127 S HA -0.238 4.237 4.470 0.009 0.000 0.231 127 S C 1.800 176.442 174.600 0.070 0.000 1.022 127 S CA 1.015 59.240 58.200 0.043 0.000 0.983 127 S CB -0.417 62.805 63.200 0.037 0.000 0.803 127 S HN 0.520 nan 8.310 nan 0.000 0.480 128 Q N 0.965 120.814 119.800 0.082 0.000 2.119 128 Q HA 0.100 4.445 4.340 0.009 0.000 0.201 128 Q C 2.601 178.705 176.000 0.174 0.000 0.972 128 Q CA 1.274 57.147 55.803 0.115 0.000 0.847 128 Q CB -0.467 28.331 28.738 0.099 0.000 0.903 128 Q HN 0.776 nan 8.270 nan 0.000 0.433 129 A N 1.185 124.095 122.820 0.150 0.000 1.898 129 A HA -0.169 4.157 4.320 0.009 0.000 0.216 129 A C 1.975 179.625 177.584 0.110 0.000 1.181 129 A CA 1.136 53.251 52.037 0.130 0.000 0.620 129 A CB -0.307 18.583 19.000 -0.183 0.000 0.819 129 A HN 0.193 nan 8.150 nan 0.000 0.442 130 R N -0.592 119.942 120.500 0.057 0.000 2.092 130 R HA -0.130 4.216 4.340 0.009 0.000 0.231 130 R C 1.977 178.345 176.300 0.113 0.000 1.119 130 R CA 1.489 57.627 56.100 0.063 0.000 0.970 130 R CB -0.440 29.882 30.300 0.035 0.000 0.864 130 R HN 0.696 nan 8.270 nan 0.000 0.440 131 D N 0.314 120.793 120.400 0.132 0.000 2.092 131 D HA -0.219 4.426 4.640 0.009 0.000 0.193 131 D C 1.636 178.051 176.300 0.191 0.000 0.994 131 D CA 1.106 55.192 54.000 0.144 0.000 0.828 131 D CB -0.079 40.806 40.800 0.141 0.000 0.963 131 D HN 0.115 nan 8.370 nan 0.000 0.450 132 F N 0.877 120.908 119.950 0.135 0.000 2.102 132 F HA -0.120 4.412 4.527 0.008 0.000 0.298 132 F C 1.961 177.894 175.800 0.222 0.000 1.105 132 F CA 1.089 59.204 58.000 0.192 0.000 1.239 132 F CB -0.309 38.812 39.000 0.202 0.000 0.991 132 F HN 0.012 nan 8.300 nan 0.000 0.474 133 I N 0.959 121.496 120.570 -0.055 0.000 2.208 133 I HA -0.316 3.859 4.170 0.009 0.000 0.245 133 I C 1.974 178.058 176.117 -0.055 0.000 1.097 133 I CA 1.271 62.524 61.300 -0.078 0.000 1.363 133 I CB -1.675 36.385 38.000 0.101 0.000 1.051 133 I HN 0.235 nan 8.210 nan 0.000 0.413 134 N N 0.876 119.582 118.700 0.010 0.000 2.120 134 N HA -0.178 4.568 4.740 0.009 0.000 0.188 134 N C 1.838 177.296 175.510 -0.088 0.000 1.024 134 N CA 1.027 54.086 53.050 0.014 0.000 0.852 134 N CB -0.353 38.211 38.487 0.127 0.000 1.003 134 N HN 0.492 nan 8.380 nan 0.000 0.424 135 Q N -0.662 119.097 119.800 -0.069 0.000 2.084 135 Q HA -0.178 4.167 4.340 0.009 0.000 0.202 135 Q C 1.715 177.515 176.000 -0.333 0.000 0.978 135 Q CA 1.233 57.012 55.803 -0.040 0.000 0.844 135 Q CB -0.242 28.614 28.738 0.197 0.000 0.898 135 Q HN 0.454 nan 8.270 nan 0.000 0.426 136 Y N 0.015 119.886 120.300 -0.716 0.000 2.114 136 Y HA -0.278 4.276 4.550 0.007 0.000 0.284 136 Y C 1.697 177.062 175.900 -0.892 0.000 1.143 136 Y CA 1.551 58.958 58.100 -1.155 0.000 1.135 136 Y CB -0.488 37.349 38.460 -1.038 0.000 0.980 136 Y HN 0.078 nan 8.280 nan 0.000 0.499 137 Y N -0.324 119.529 120.300 -0.744 0.000 2.352 137 Y HA -0.184 4.372 4.550 0.010 0.000 0.292 137 Y C 2.725 178.308 175.900 -0.528 0.000 1.136 137 Y CA 1.542 59.211 58.100 -0.719 0.000 1.227 137 Y CB -0.472 37.475 38.460 -0.854 0.000 0.991 137 Y HN 0.093 nan 8.280 nan 0.000 0.545 138 S N -0.624 114.875 115.700 -0.334 0.000 2.368 138 S HA -0.205 4.270 4.470 0.009 0.000 0.224 138 S C 2.270 176.709 174.600 -0.267 0.000 1.029 138 S CA 1.406 59.483 58.200 -0.205 0.000 0.988 138 S CB -0.606 62.523 63.200 -0.118 0.000 0.838 138 S HN 0.642 nan 8.310 nan 0.000 0.462 139 S N 2.445 117.890 115.700 -0.427 0.000 2.419 139 S HA -0.057 4.419 4.470 0.009 0.000 0.233 139 S C 1.645 176.019 174.600 -0.378 0.000 1.016 139 S CA 1.129 59.105 58.200 -0.373 0.000 0.974 139 S CB -0.839 62.039 63.200 -0.536 0.000 0.786 139 S HN 0.738 nan 8.310 nan 0.000 0.492 140 I N -3.250 116.995 120.570 -0.541 0.000 3.928 140 I HA 0.383 4.558 4.170 0.009 0.000 0.335 140 I C -0.403 175.563 176.117 -0.253 0.000 1.325 140 I CA -0.505 60.544 61.300 -0.418 0.000 1.107 140 I CB -0.111 37.538 38.000 -0.585 0.000 1.014 140 I HN -0.130 nan 8.210 nan 0.000 0.400 141 K N 2.471 122.744 120.400 -0.211 0.000 3.239 141 K HA -0.135 4.191 4.320 0.009 0.000 0.270 141 K C -0.238 176.323 176.600 -0.066 0.000 1.049 141 K CA 0.426 56.645 56.287 -0.112 0.000 0.769 141 K CB -1.513 30.937 32.500 -0.083 0.000 1.305 141 K HN 0.560 nan 8.250 nan 0.000 0.469 142 R N -0.938 119.538 120.500 -0.041 0.000 2.615 142 R HA 0.124 4.469 4.340 0.009 0.000 0.448 142 R C -0.291 176.101 176.300 0.154 0.000 1.009 142 R CA -0.348 55.789 56.100 0.063 0.000 1.111 142 R CB 0.531 30.911 30.300 0.133 0.000 1.461 142 R HN 0.063 nan 8.270 nan 0.000 0.587 143 S N 0.072 115.846 115.700 0.124 0.000 2.549 143 S HA 0.288 4.763 4.470 0.009 0.000 0.286 143 S C 1.339 176.062 174.600 0.204 0.000 1.314 143 S CA 1.129 59.493 58.200 0.274 0.000 1.062 143 S CB 0.856 64.139 63.200 0.137 0.000 0.865 143 S HN 0.675 nan 8.310 nan 0.000 0.498 144 G N 2.153 111.044 108.800 0.152 0.000 2.189 144 G HA2 -0.330 3.635 3.960 0.009 0.000 0.267 144 G HA3 -0.330 3.635 3.960 0.009 0.000 0.267 144 G C 0.421 175.263 174.900 -0.096 0.000 0.975 144 G CA 0.552 45.569 45.100 -0.138 0.000 0.644 144 G HN 1.139 nan 8.290 nan 0.000 0.537 145 S N -0.892 114.812 115.700 0.007 0.000 2.633 145 S HA 0.459 4.935 4.470 0.009 0.000 0.257 145 S C 1.381 175.949 174.600 -0.053 0.000 1.265 145 S CA 0.963 59.160 58.200 -0.005 0.000 0.980 145 S CB 1.071 64.301 63.200 0.051 0.000 1.017 145 S HN 0.396 nan 8.310 nan 0.000 0.577 146 Q N 0.590 120.372 119.800 -0.030 0.000 2.016 146 Q HA 0.078 4.423 4.340 0.009 0.000 0.200 146 Q C 2.344 178.314 176.000 -0.051 0.000 0.978 146 Q CA 2.418 58.197 55.803 -0.039 0.000 0.833 146 Q CB -1.287 27.444 28.738 -0.013 0.000 0.895 146 Q HN 0.904 nan 8.270 nan 0.000 0.427 147 A N -0.802 122.008 122.820 -0.016 0.000 2.019 147 A HA -0.219 4.107 4.320 0.009 0.000 0.219 147 A C 2.000 179.434 177.584 -0.249 0.000 1.164 147 A CA 1.723 53.759 52.037 -0.002 0.000 0.644 147 A CB -0.946 18.158 19.000 0.175 0.000 0.805 147 A HN 0.711 nan 8.150 nan 0.000 0.449 148 H N -0.684 117.993 119.070 -0.655 0.000 2.293 148 H HA -0.102 4.460 4.556 0.009 0.000 0.300 148 H C 1.890 176.877 175.328 -0.568 0.000 1.082 148 H CA 1.252 56.592 56.048 -1.181 0.000 1.308 148 H CB 0.131 29.428 29.762 -0.774 0.000 1.375 148 H HN 0.390 nan 8.280 nan 0.000 0.495 149 E N 0.590 120.640 120.200 -0.251 0.000 2.204 149 E HA -0.144 4.211 4.350 0.009 0.000 0.194 149 E C 2.059 178.588 176.600 -0.119 0.000 0.989 149 E CA 0.842 57.115 56.400 -0.212 0.000 0.824 149 E CB -0.031 29.551 29.700 -0.196 0.000 0.756 149 E HN 0.680 nan 8.360 nan 0.000 0.477 150 E N 0.422 120.563 120.200 -0.098 0.000 2.072 150 E HA -0.156 4.199 4.350 0.009 0.000 0.190 150 E C 2.146 178.732 176.600 -0.023 0.000 0.982 150 E CA 0.721 57.094 56.400 -0.046 0.000 0.803 150 E CB 0.008 29.695 29.700 -0.022 0.000 0.755 150 E HN -0.081 nan 8.360 nan 0.000 0.453 151 R N 1.107 121.588 120.500 -0.031 0.000 2.081 151 R HA -0.087 4.258 4.340 0.009 0.000 0.235 151 R C 2.027 178.335 176.300 0.014 0.000 1.131 151 R CA 1.158 57.279 56.100 0.035 0.000 0.960 151 R CB -0.529 29.841 30.300 0.116 0.000 0.856 151 R HN 0.148 nan 8.270 nan 0.000 0.436 152 L N 0.128 121.342 121.223 -0.014 0.000 2.017 152 L HA -0.218 4.127 4.340 0.009 0.000 0.208 152 L C 2.591 179.439 176.870 -0.037 0.000 1.073 152 L CA 1.750 56.577 54.840 -0.022 0.000 0.745 152 L CB -0.467 41.574 42.059 -0.031 0.000 0.894 152 L HN 0.339 nan 8.230 nan 0.000 0.432 153 Q N -0.480 119.300 119.800 -0.034 0.000 2.084 153 Q HA -0.280 4.065 4.340 0.009 0.000 0.202 153 Q C 2.136 178.130 176.000 -0.011 0.000 0.978 153 Q CA 1.808 57.596 55.803 -0.026 0.000 0.844 153 Q CB -0.119 28.604 28.738 -0.025 0.000 0.898 153 Q HN 0.495 nan 8.270 nan 0.000 0.426 154 E N 0.163 120.364 120.200 0.001 0.000 2.110 154 E HA -0.166 4.189 4.350 0.009 0.000 0.193 154 E C 1.922 178.534 176.600 0.021 0.000 0.988 154 E CA 1.022 57.437 56.400 0.024 0.000 0.804 154 E CB 0.200 29.928 29.700 0.046 0.000 0.745 154 E HN 0.118 nan 8.360 nan 0.000 0.458 155 V N 2.348 122.246 119.914 -0.027 0.000 2.270 155 V HA -0.251 3.874 4.120 0.009 0.000 0.245 155 V C 2.278 178.315 176.094 -0.095 0.000 1.043 155 V CA 2.280 64.507 62.300 -0.121 0.000 1.014 155 V CB -0.643 30.989 31.823 -0.318 0.000 0.645 155 V HN 0.461 nan 8.190 nan 0.000 0.447 156 E N 1.039 121.195 120.200 -0.073 0.000 2.347 156 E HA -0.096 4.259 4.350 0.009 0.000 0.196 156 E C 2.041 178.641 176.600 -0.000 0.000 1.008 156 E CA 1.157 57.535 56.400 -0.037 0.000 0.852 156 E CB -0.262 29.418 29.700 -0.033 0.000 0.783 156 E HN 0.546 nan 8.360 nan 0.000 0.505 157 A N 2.212 125.037 122.820 0.009 0.000 1.872 157 A HA -0.168 4.157 4.320 0.009 0.000 0.214 157 A C 2.058 179.671 177.584 0.048 0.000 1.187 157 A CA 1.182 53.234 52.037 0.026 0.000 0.614 157 A CB -0.268 18.748 19.000 0.027 0.000 0.826 157 A HN 0.205 nan 8.150 nan 0.000 0.442 158 E N -0.140 120.103 120.200 0.072 0.000 2.031 158 E HA -0.135 4.220 4.350 0.009 0.000 0.193 158 E C 1.994 178.659 176.600 0.109 0.000 0.994 158 E CA 1.419 57.889 56.400 0.115 0.000 0.800 158 E CB -0.390 29.425 29.700 0.193 0.000 0.752 158 E HN 0.344 nan 8.360 nan 0.000 0.447 159 V N 1.764 121.741 119.914 0.105 0.000 2.469 159 V HA -0.311 3.815 4.120 0.009 0.000 0.251 159 V C 2.363 178.493 176.094 0.060 0.000 1.064 159 V CA 1.758 64.114 62.300 0.094 0.000 1.066 159 V CB -0.879 30.991 31.823 0.079 0.000 0.667 159 V HN 0.311 nan 8.190 nan 0.000 0.461 160 A N 0.932 123.779 122.820 0.046 0.000 1.859 160 A HA -0.261 4.064 4.320 0.009 0.000 0.217 160 A C 2.540 180.145 177.584 0.037 0.000 1.198 160 A CA 2.930 54.987 52.037 0.034 0.000 0.629 160 A CB -0.862 18.154 19.000 0.026 0.000 0.830 160 A HN 0.695 nan 8.150 nan 0.000 0.446 161 S N -1.438 114.288 115.700 0.043 0.000 2.421 161 S HA -0.078 4.397 4.470 0.009 0.000 0.224 161 S C 1.833 176.461 174.600 0.048 0.000 1.035 161 S CA 1.573 59.798 58.200 0.042 0.000 0.953 161 S CB -0.863 62.361 63.200 0.042 0.000 0.810 161 S HN 0.824 nan 8.310 nan 0.000 0.497 162 T N -2.894 111.697 114.554 0.062 0.000 3.037 162 T HA 0.500 4.855 4.350 0.009 0.000 0.251 162 T C 1.710 176.442 174.700 0.054 0.000 1.079 162 T CA 0.913 63.052 62.100 0.065 0.000 1.067 162 T CB -0.097 68.827 68.868 0.093 0.000 0.948 162 T HN 1.140 nan 8.240 nan 0.000 0.496 163 G N 0.184 109.018 108.800 0.055 0.000 2.217 163 G HA2 -0.208 3.758 3.960 0.009 0.000 0.246 163 G HA3 -0.208 3.758 3.960 0.009 0.000 0.246 163 G C 0.243 175.174 174.900 0.051 0.000 0.990 163 G CA 0.560 45.687 45.100 0.045 0.000 0.627 163 G HN 0.986 nan 8.290 nan 0.000 0.522 164 T N -1.276 113.315 114.554 0.063 0.000 2.654 164 T HA 0.747 5.102 4.350 0.009 0.000 0.289 164 T C -1.069 173.717 174.700 0.144 0.000 1.062 164 T CA 0.408 62.536 62.100 0.047 0.000 1.041 164 T CB 1.551 70.359 68.868 -0.099 0.000 1.417 164 T HN 1.493 nan 8.240 nan 0.000 0.510 165 Y N -0.993 119.238 120.300 -0.115 0.000 2.744 165 Y HA 0.775 5.330 4.550 0.008 0.000 0.330 165 Y C -1.193 174.568 175.900 -0.233 0.000 1.263 165 Y CA -1.169 56.903 58.100 -0.046 0.000 1.065 165 Y CB 1.031 39.510 38.460 0.032 0.000 1.306 165 Y HN 0.668 nan 8.280 nan 0.000 0.459 166 H N 1.257 120.394 119.070 0.111 0.000 2.747 166 H HA 0.555 5.116 4.556 0.009 0.000 0.371 166 H C -1.175 174.243 175.328 0.150 0.000 1.161 166 H CA -0.868 55.183 56.048 0.005 0.000 1.167 166 H CB 2.639 32.428 29.762 0.046 0.000 1.732 166 H HN 0.582 nan 8.280 nan 0.000 0.544 167 L N 2.221 123.559 121.223 0.190 0.000 2.357 167 L HA 0.396 4.741 4.340 0.009 0.000 0.273 167 L C 0.897 177.854 176.870 0.146 0.000 1.080 167 L CA -0.693 54.273 54.840 0.210 0.000 0.803 167 L CB 0.974 43.125 42.059 0.153 0.000 1.174 167 L HN 0.364 nan 8.230 nan 0.000 0.443 168 R N 1.196 121.754 120.500 0.097 0.000 2.679 168 R HA 0.031 4.377 4.340 0.009 0.000 0.269 168 R C 1.068 177.366 176.300 -0.003 0.000 1.076 168 R CA -0.453 55.668 56.100 0.034 0.000 1.160 168 R CB 0.823 31.115 30.300 -0.013 0.000 1.054 168 R HN 0.679 nan 8.270 nan 0.000 0.507 169 E N 1.271 121.467 120.200 -0.006 0.000 2.033 169 E HA -0.267 4.088 4.350 0.009 0.000 0.199 169 E C 1.589 178.171 176.600 -0.030 0.000 1.011 169 E CA 2.418 58.806 56.400 -0.019 0.000 0.815 169 E CB -0.001 29.691 29.700 -0.012 0.000 0.755 169 E HN 0.687 nan 8.360 nan 0.000 0.451 170 S N 0.126 115.806 115.700 -0.033 0.000 2.419 170 S HA -0.181 4.294 4.470 0.009 0.000 0.235 170 S C 1.686 176.252 174.600 -0.057 0.000 1.019 170 S CA 1.406 59.603 58.200 -0.005 0.000 0.982 170 S CB -0.338 62.890 63.200 0.047 0.000 0.789 170 S HN 0.355 nan 8.310 nan 0.000 0.490 171 E N 0.684 120.747 120.200 -0.228 0.000 2.107 171 E HA 0.011 4.366 4.350 0.009 0.000 0.191 171 E C 1.998 178.705 176.600 0.179 0.000 0.982 171 E CA 0.883 57.166 56.400 -0.195 0.000 0.809 171 E CB -0.290 29.310 29.700 -0.168 0.000 0.756 171 E HN 0.438 nan 8.360 nan 0.000 0.459 172 L N 0.962 122.207 121.223 0.037 0.000 2.056 172 L HA -0.139 4.206 4.340 0.009 0.000 0.207 172 L C 2.183 179.024 176.870 -0.048 0.000 1.078 172 L CA 1.319 56.121 54.840 -0.063 0.000 0.749 172 L CB -0.282 41.687 42.059 -0.149 0.000 0.901 172 L HN -0.074 nan 8.230 nan 0.000 0.433 173 V N -0.364 119.556 119.914 0.010 0.000 2.261 173 V HA -0.321 3.805 4.120 0.009 0.000 0.246 173 V C 2.344 178.516 176.094 0.130 0.000 1.047 173 V CA 2.209 64.530 62.300 0.034 0.000 1.015 173 V CB -0.986 30.865 31.823 0.047 0.000 0.642 173 V HN 0.576 nan 8.190 nan 0.000 0.446 174 F N 2.180 122.201 119.950 0.117 0.000 2.095 174 F HA -0.071 4.460 4.527 0.007 0.000 0.298 174 F C 2.174 178.103 175.800 0.215 0.000 1.104 174 F CA 1.831 59.957 58.000 0.211 0.000 1.232 174 F CB -1.021 38.176 39.000 0.328 0.000 0.987 174 F HN 0.120 nan 8.300 nan 0.000 0.475 175 G N -0.267 108.527 108.800 -0.009 0.000 2.422 175 G HA2 -0.194 3.771 3.960 0.009 0.000 0.218 175 G HA3 -0.194 3.771 3.960 0.009 0.000 0.218 175 G C 1.805 176.522 174.900 -0.305 0.000 1.146 175 G CA 0.870 45.840 45.100 -0.216 0.000 0.769 175 G HN 0.671 nan 8.290 nan 0.000 0.547 176 A N 0.906 123.598 122.820 -0.212 0.000 1.873 176 A HA 0.022 4.348 4.320 0.009 0.000 0.215 176 A C 2.307 179.866 177.584 -0.043 0.000 1.186 176 A CA 1.878 53.803 52.037 -0.187 0.000 0.616 176 A CB -0.334 18.593 19.000 -0.121 0.000 0.823 176 A HN 0.364 nan 8.150 nan 0.000 0.442 177 K N -1.012 119.416 120.400 0.046 0.000 2.097 177 K HA -0.185 4.140 4.320 0.009 0.000 0.206 177 K C 2.323 178.994 176.600 0.119 0.000 1.049 177 K CA 1.568 58.005 56.287 0.251 0.000 0.933 177 K CB -0.112 32.594 32.500 0.344 0.000 0.717 177 K HN 0.461 nan 8.250 nan 0.000 0.442 178 Q N 0.761 120.441 119.800 -0.200 0.000 2.119 178 Q HA -0.061 4.285 4.340 0.009 0.000 0.201 178 Q C 1.872 177.709 176.000 -0.273 0.000 0.972 178 Q CA 1.615 57.194 55.803 -0.374 0.000 0.847 178 Q CB -0.172 28.188 28.738 -0.631 0.000 0.903 178 Q HN 0.325 nan 8.270 nan 0.000 0.433 179 A N -0.493 122.152 122.820 -0.292 0.000 1.902 179 A HA -0.191 4.135 4.320 0.009 0.000 0.217 179 A C 1.817 179.368 177.584 -0.056 0.000 1.181 179 A CA 1.494 53.295 52.037 -0.392 0.000 0.623 179 A CB -1.190 17.227 19.000 -0.971 0.000 0.818 179 A HN 0.716 nan 8.150 nan 0.000 0.443 180 W N 0.924 122.189 121.300 -0.057 0.000 2.378 180 W HA -0.126 4.538 4.660 0.007 0.000 0.313 180 W C 2.337 178.823 176.519 -0.055 0.000 1.197 180 W CA 1.544 58.935 57.345 0.077 0.000 1.304 180 W CB -0.822 28.690 29.460 0.087 0.000 1.148 180 W HN 0.363 nan 8.180 nan 0.000 0.494 181 R N 0.360 120.801 120.500 -0.099 0.000 2.117 181 R HA -0.219 4.127 4.340 0.009 0.000 0.243 181 R C 1.647 177.798 176.300 -0.249 0.000 1.143 181 R CA 1.961 57.802 56.100 -0.432 0.000 0.968 181 R CB -0.584 29.189 30.300 -0.880 0.000 0.863 181 R HN 0.123 nan 8.270 nan 0.000 0.444 182 N N 0.261 118.859 118.700 -0.170 0.000 2.463 182 N HA 0.008 4.753 4.740 0.009 0.000 0.181 182 N C -0.259 175.198 175.510 -0.089 0.000 1.078 182 N CA 0.729 53.697 53.050 -0.136 0.000 0.902 182 N CB 0.228 38.631 38.487 -0.141 0.000 0.970 182 N HN 0.184 nan 8.380 nan 0.000 0.451 183 A N 2.181 124.998 122.820 -0.005 0.000 2.500 183 A HA 0.176 4.502 4.320 0.009 0.000 0.285 183 A C -1.223 176.339 177.584 -0.038 0.000 1.183 183 A CA -0.858 51.179 52.037 -0.000 0.000 0.851 183 A CB 0.156 19.212 19.000 0.093 0.000 1.091 183 A HN 0.037 nan 8.150 nan 0.000 0.521 184 P HA -0.127 nan 4.420 nan 0.000 0.219 184 P C 1.081 178.329 177.300 -0.088 0.000 1.146 184 P CA 1.175 64.212 63.100 -0.106 0.000 0.808 184 P CB 0.157 31.758 31.700 -0.166 0.000 0.779 185 R N -2.284 118.133 120.500 -0.139 0.000 2.334 185 R HA 0.158 4.503 4.340 0.009 0.000 0.216 185 R C 0.251 176.565 176.300 0.023 0.000 0.905 185 R CA -0.153 55.890 56.100 -0.095 0.000 1.064 185 R CB -0.293 29.765 30.300 -0.405 0.000 1.046 185 R HN 0.177 nan 8.270 nan 0.000 0.508 186 C N 0.476 119.775 119.300 -0.001 0.000 2.285 186 C HA 0.247 4.712 4.460 0.009 0.000 0.335 186 C C 1.798 176.756 174.990 -0.052 0.000 1.267 186 C CA -0.665 58.376 59.018 0.038 0.000 1.762 186 C CB 0.718 28.542 27.740 0.140 0.000 2.365 186 C HN 0.281 nan 8.230 nan 0.000 0.527 187 V N 5.950 125.790 119.914 -0.123 0.000 3.608 187 V HA 0.257 4.382 4.120 0.009 0.000 0.269 187 V C 1.681 177.801 176.094 0.044 0.000 1.245 187 V CA 1.848 63.969 62.300 -0.298 0.000 1.138 187 V CB -0.046 31.601 31.823 -0.294 0.000 0.841 187 V HN 1.074 nan 8.190 nan 0.000 0.451 188 G N -0.506 108.356 108.800 0.103 0.000 3.448 188 G HA2 0.070 4.035 3.960 0.009 0.000 0.261 188 G HA3 0.070 4.035 3.960 0.009 0.000 0.261 188 G C 1.175 176.136 174.900 0.101 0.000 1.173 188 G CA -0.352 44.831 45.100 0.137 0.000 0.835 188 G HN 0.428 nan 8.290 nan 0.000 0.534 189 R N -0.172 120.310 120.500 -0.031 0.000 2.341 189 R HA 0.093 4.438 4.340 0.009 0.000 0.213 189 R C 1.984 177.898 176.300 -0.644 0.000 1.082 189 R CA 0.199 55.996 56.100 -0.505 0.000 1.017 189 R CB -0.151 29.783 30.300 -0.609 0.000 0.860 189 R HN 0.466 nan 8.270 nan 0.000 0.473 190 I N 0.873 121.258 120.570 -0.307 0.000 2.567 190 I HA -0.239 3.936 4.170 0.009 0.000 0.257 190 I C 1.270 177.331 176.117 -0.093 0.000 1.184 190 I CA 1.250 62.522 61.300 -0.047 0.000 1.451 190 I CB 0.162 38.219 38.000 0.095 0.000 1.089 190 I HN 0.206 nan 8.210 nan 0.000 0.441 191 Q N 0.503 120.185 119.800 -0.196 0.000 2.403 191 Q HA -0.105 4.240 4.340 0.009 0.000 0.203 191 Q C 1.633 177.242 176.000 -0.650 0.000 0.932 191 Q CA 0.386 56.057 55.803 -0.220 0.000 0.945 191 Q CB -0.220 28.548 28.738 0.050 0.000 1.045 191 Q HN 0.794 nan 8.270 nan 0.000 0.511 192 W N 0.389 121.000 121.300 -1.149 0.000 2.303 192 W HA -0.174 4.493 4.660 0.012 0.000 0.287 192 W C 1.090 177.300 176.519 -0.514 0.000 1.213 192 W CA 1.248 57.760 57.345 -1.387 0.000 1.203 192 W CB -1.151 27.718 29.460 -0.985 0.000 1.136 192 W HN 0.072 nan 8.180 nan 0.000 0.547 193 G N 1.030 109.120 108.800 -1.183 0.000 2.572 193 G HA2 -0.153 3.813 3.960 0.009 0.000 0.216 193 G HA3 -0.153 3.813 3.960 0.009 0.000 0.216 193 G C 0.745 175.414 174.900 -0.385 0.000 1.133 193 G CA -0.031 44.451 45.100 -1.029 0.000 0.791 193 G HN 0.219 nan 8.290 nan 0.000 0.538 194 K N 0.287 120.571 120.400 -0.193 0.000 2.357 194 K HA 0.516 4.841 4.320 0.009 0.000 0.251 194 K C -1.711 174.999 176.600 0.184 0.000 1.069 194 K CA -0.642 55.648 56.287 0.005 0.000 0.994 194 K CB 0.494 33.025 32.500 0.050 0.000 1.411 194 K HN 0.077 nan 8.250 nan 0.000 0.450 195 L N 3.350 124.661 121.223 0.145 0.000 2.476 195 L HA 0.301 4.646 4.340 0.009 0.000 0.269 195 L C -1.273 175.589 176.870 -0.013 0.000 0.965 195 L CA -0.431 54.508 54.840 0.165 0.000 0.845 195 L CB 1.892 44.130 42.059 0.298 0.000 1.259 195 L HN 0.438 nan 8.230 nan 0.000 0.403 196 Q N 3.490 123.225 119.800 -0.109 0.000 2.323 196 Q HA 0.435 4.780 4.340 0.009 0.000 0.257 196 Q C -1.473 174.195 176.000 -0.554 0.000 1.022 196 Q CA 0.008 55.571 55.803 -0.399 0.000 0.919 196 Q CB 1.001 29.377 28.738 -0.604 0.000 1.220 196 Q HN 0.522 nan 8.270 nan 0.000 0.427 197 V N 6.684 126.316 119.914 -0.470 0.000 2.334 197 V HA 0.303 4.428 4.120 0.009 0.000 0.267 197 V C -0.558 175.267 176.094 -0.449 0.000 1.040 197 V CA -0.469 61.610 62.300 -0.368 0.000 0.866 197 V CB -0.193 31.510 31.823 -0.201 0.000 1.019 197 V HN 0.629 nan 8.190 nan 0.000 0.468 198 F N 2.894 122.686 119.950 -0.262 0.000 2.421 198 F HA 0.314 4.844 4.527 0.005 0.000 0.358 198 F C 0.727 176.327 175.800 -0.333 0.000 1.115 198 F CA -0.758 57.072 58.000 -0.284 0.000 1.160 198 F CB 0.675 39.495 39.000 -0.301 0.000 1.123 198 F HN 0.398 nan 8.300 nan 0.000 0.508 199 D N 3.458 123.793 120.400 -0.108 0.000 2.365 199 D HA 0.358 5.003 4.640 0.009 0.000 0.237 199 D C -0.023 176.088 176.300 -0.316 0.000 1.190 199 D CA 0.125 54.005 54.000 -0.200 0.000 0.867 199 D CB 1.153 41.882 40.800 -0.119 0.000 1.050 199 D HN 0.622 nan 8.370 nan 0.000 0.491 200 A N 4.677 127.167 122.820 -0.549 0.000 2.793 200 A HA 0.169 4.495 4.320 0.009 0.000 0.301 200 A C 1.391 178.722 177.584 -0.421 0.000 1.172 200 A CA -0.426 51.098 52.037 -0.855 0.000 0.973 200 A CB 0.044 18.050 19.000 -1.657 0.000 1.164 200 A HN 0.525 nan 8.150 nan 0.000 0.542 201 R N 0.452 120.823 120.500 -0.214 0.000 2.323 201 R HA -0.047 4.298 4.340 0.009 0.000 0.198 201 R C 0.542 176.830 176.300 -0.020 0.000 0.988 201 R CA 1.099 57.152 56.100 -0.078 0.000 1.041 201 R CB 0.124 30.432 30.300 0.013 0.000 0.926 201 R HN 0.679 nan 8.270 nan 0.000 0.476 202 D N -1.024 119.378 120.400 0.004 0.000 2.367 202 D HA -0.059 4.586 4.640 0.009 0.000 0.207 202 D C 0.466 176.849 176.300 0.140 0.000 1.034 202 D CA -0.313 53.736 54.000 0.080 0.000 0.861 202 D CB -0.520 40.343 40.800 0.106 0.000 0.943 202 D HN -0.030 nan 8.370 nan 0.000 0.515 203 C N 2.000 121.391 119.300 0.151 0.000 2.596 203 C HA 0.313 4.778 4.460 0.009 0.000 0.414 203 C C 1.647 176.799 174.990 0.271 0.000 1.396 203 C CA 0.740 59.917 59.018 0.265 0.000 1.698 203 C CB -0.765 27.174 27.740 0.332 0.000 2.572 203 C HN 0.474 nan 8.230 nan 0.000 0.604 204 S N 2.532 118.424 115.700 0.320 0.000 2.733 204 S HA 0.288 4.763 4.470 0.009 0.000 0.247 204 S C -0.000 174.768 174.600 0.280 0.000 1.043 204 S CA 0.224 58.637 58.200 0.354 0.000 1.066 204 S CB -0.163 63.168 63.200 0.219 0.000 1.045 204 S HN 1.243 nan 8.310 nan 0.000 0.586 205 S N -0.136 115.724 115.700 0.267 0.000 2.564 205 S HA 0.814 5.289 4.470 0.009 0.000 0.274 205 S C 0.840 175.526 174.600 0.144 0.000 1.124 205 S CA -0.270 58.027 58.200 0.160 0.000 0.869 205 S CB 1.229 64.503 63.200 0.124 0.000 1.105 205 S HN 0.457 nan 8.310 nan 0.000 0.472 206 A N 1.051 123.925 122.820 0.089 0.000 1.972 206 A HA -0.097 4.228 4.320 0.009 0.000 0.219 206 A C 2.110 179.656 177.584 -0.064 0.000 1.169 206 A CA 2.194 54.262 52.037 0.051 0.000 0.635 206 A CB -1.123 17.974 19.000 0.161 0.000 0.810 206 A HN 0.932 nan 8.150 nan 0.000 0.446 207 Q N 0.215 120.071 119.800 0.092 0.000 2.050 207 Q HA -0.191 4.154 4.340 0.009 0.000 0.202 207 Q C 1.915 177.908 176.000 -0.012 0.000 0.980 207 Q CA 2.330 58.167 55.803 0.057 0.000 0.840 207 Q CB -0.399 28.454 28.738 0.191 0.000 0.898 207 Q HN 0.735 nan 8.270 nan 0.000 0.424 208 E N -0.739 119.495 120.200 0.058 0.000 2.110 208 E HA -0.184 4.172 4.350 0.009 0.000 0.193 208 E C 1.932 178.619 176.600 0.145 0.000 0.988 208 E CA 1.250 57.698 56.400 0.080 0.000 0.804 208 E CB -0.109 29.688 29.700 0.161 0.000 0.745 208 E HN 0.467 nan 8.360 nan 0.000 0.458 209 M N -0.248 119.410 119.600 0.097 0.000 2.106 209 M HA -0.180 4.305 4.480 0.009 0.000 0.259 209 M C 2.142 178.472 176.300 0.050 0.000 1.068 209 M CA 1.538 56.843 55.300 0.008 0.000 1.100 209 M CB -0.384 32.007 32.600 -0.348 0.000 1.351 209 M HN 0.229 nan 8.290 nan 0.000 0.404 210 F N 0.867 120.603 119.950 -0.357 0.000 2.134 210 F HA -0.240 4.294 4.527 0.011 0.000 0.299 210 F C 2.268 177.963 175.800 -0.175 0.000 1.097 210 F CA 1.696 59.448 58.000 -0.415 0.000 1.264 210 F CB -0.115 38.355 39.000 -0.883 0.000 1.001 210 F HN 0.066 nan 8.300 nan 0.000 0.479 211 T N -0.423 113.995 114.554 -0.226 0.000 2.708 211 T HA -0.250 4.106 4.350 0.009 0.000 0.266 211 T C 1.576 176.121 174.700 -0.258 0.000 1.037 211 T CA 1.888 63.801 62.100 -0.313 0.000 1.146 211 T CB -0.875 67.838 68.868 -0.258 0.000 0.865 211 T HN 0.366 nan 8.240 nan 0.000 0.435 212 Y N 0.976 121.229 120.300 -0.078 0.000 2.128 212 Y HA -0.094 4.460 4.550 0.007 0.000 0.284 212 Y C 2.377 178.224 175.900 -0.089 0.000 1.154 212 Y CA 0.865 58.924 58.100 -0.068 0.000 1.149 212 Y CB -0.382 38.138 38.460 0.100 0.000 0.976 212 Y HN 0.146 nan 8.280 nan 0.000 0.505 213 I N -1.364 119.302 120.570 0.160 0.000 2.226 213 I HA -0.380 3.795 4.170 0.009 0.000 0.245 213 I C 2.329 178.386 176.117 -0.101 0.000 1.100 213 I CA 1.054 62.385 61.300 0.052 0.000 1.374 213 I CB -0.528 37.502 38.000 0.049 0.000 1.057 213 I HN 0.347 nan 8.210 nan 0.000 0.413 214 C N 0.632 119.755 119.300 -0.294 0.000 2.429 214 C HA -0.125 4.340 4.460 0.009 0.000 0.277 214 C C 2.626 177.509 174.990 -0.179 0.000 1.262 214 C CA 0.753 59.577 59.018 -0.324 0.000 1.733 214 C CB -1.392 26.010 27.740 -0.564 0.000 2.010 214 C HN 0.544 nan 8.230 nan 0.000 0.483 215 N N -0.099 118.486 118.700 -0.192 0.000 2.166 215 N HA -0.142 4.604 4.740 0.009 0.000 0.186 215 N C 1.443 176.846 175.510 -0.178 0.000 1.019 215 N CA 1.384 54.317 53.050 -0.194 0.000 0.856 215 N CB -0.748 37.569 38.487 -0.283 0.000 0.993 215 N HN 0.754 nan 8.380 nan 0.000 0.426 216 H N 0.733 119.629 119.070 -0.290 0.000 2.290 216 H HA 0.024 4.587 4.556 0.011 0.000 0.298 216 H C 2.169 177.508 175.328 0.018 0.000 1.087 216 H CA 1.652 57.586 56.048 -0.191 0.000 1.291 216 H CB -0.056 29.645 29.762 -0.102 0.000 1.369 216 H HN 0.076 nan 8.280 nan 0.000 0.492 217 I N 0.758 121.461 120.570 0.221 0.000 2.208 217 I HA -0.295 3.880 4.170 0.009 0.000 0.245 217 I C 2.421 178.614 176.117 0.127 0.000 1.097 217 I CA 1.440 62.828 61.300 0.147 0.000 1.363 217 I CB -0.293 37.715 38.000 0.014 0.000 1.051 217 I HN 0.344 nan 8.210 nan 0.000 0.413 218 K N 0.017 120.462 120.400 0.075 0.000 2.002 218 K HA -0.236 4.090 4.320 0.009 0.000 0.209 218 K C 2.263 178.930 176.600 0.111 0.000 1.048 218 K CA 1.837 58.161 56.287 0.062 0.000 0.930 218 K CB -0.479 32.033 32.500 0.021 0.000 0.714 218 K HN 0.262 nan 8.250 nan 0.000 0.438 219 Y N 1.476 121.804 120.300 0.047 0.000 2.145 219 Y HA -0.236 4.316 4.550 0.003 0.000 0.286 219 Y C 2.266 178.247 175.900 0.136 0.000 1.145 219 Y CA 1.575 59.743 58.100 0.113 0.000 1.148 219 Y CB -0.361 38.239 38.460 0.232 0.000 0.981 219 Y HN 0.061 nan 8.280 nan 0.000 0.507 220 A N -0.777 122.245 122.820 0.337 0.000 1.933 220 A HA -0.175 4.150 4.320 0.009 0.000 0.218 220 A C 2.195 179.867 177.584 0.146 0.000 1.175 220 A CA 2.269 54.465 52.037 0.265 0.000 0.628 220 A CB -1.284 17.947 19.000 0.385 0.000 0.814 220 A HN 0.524 nan 8.150 nan 0.000 0.444 221 T N -0.263 114.365 114.554 0.124 0.000 2.812 221 T HA -0.090 4.265 4.350 0.009 0.000 0.264 221 T C 1.119 175.838 174.700 0.032 0.000 1.042 221 T CA 1.107 63.262 62.100 0.092 0.000 1.140 221 T CB -0.415 68.501 68.868 0.080 0.000 0.870 221 T HN 0.643 nan 8.240 nan 0.000 0.445 222 N N 1.388 120.077 118.700 -0.018 0.000 2.701 222 N HA -0.267 4.478 4.740 0.009 0.000 0.252 222 N C -0.387 175.102 175.510 -0.035 0.000 1.002 222 N CA 0.486 53.497 53.050 -0.065 0.000 0.758 222 N CB -1.297 37.109 38.487 -0.134 0.000 0.937 222 N HN 0.484 nan 8.380 nan 0.000 0.538 223 R N -2.434 118.058 120.500 -0.013 0.000 3.416 223 R HA -0.214 4.131 4.340 0.009 0.000 0.263 223 R C 1.274 177.565 176.300 -0.016 0.000 1.053 223 R CA 1.031 57.123 56.100 -0.013 0.000 0.705 223 R CB -2.046 28.241 30.300 -0.021 0.000 1.124 223 R HN 0.923 nan 8.270 nan 0.000 0.444 224 G N -0.391 108.408 108.800 -0.000 0.000 2.259 224 G HA2 -0.317 3.648 3.960 0.009 0.000 0.217 224 G HA3 -0.317 3.648 3.960 0.009 0.000 0.217 224 G C -0.006 174.890 174.900 -0.006 0.000 1.001 224 G CA 0.077 45.176 45.100 -0.002 0.000 0.627 224 G HN 0.387 nan 8.290 nan 0.000 0.501 225 N N 1.420 120.104 118.700 -0.025 0.000 3.229 225 N HA 0.501 5.247 4.740 0.009 0.000 0.275 225 N C 0.385 175.879 175.510 -0.026 0.000 1.225 225 N CA -0.482 52.536 53.050 -0.054 0.000 1.119 225 N CB -0.245 38.203 38.487 -0.066 0.000 1.392 225 N HN 0.234 nan 8.380 nan 0.000 0.520 226 L N 1.639 122.882 121.223 0.033 0.000 2.543 226 L HA 0.087 4.433 4.340 0.009 0.000 0.285 226 L C 0.821 177.833 176.870 0.237 0.000 1.236 226 L CA 1.001 55.939 54.840 0.164 0.000 0.871 226 L CB 0.168 42.421 42.059 0.323 0.000 1.121 226 L HN 0.324 nan 8.230 nan 0.000 0.501 227 R N 1.307 121.952 120.500 0.242 0.000 2.532 227 R HA 0.419 4.764 4.340 0.009 0.000 0.297 227 R C -0.662 175.814 176.300 0.293 0.000 0.984 227 R CA -0.666 55.595 56.100 0.269 0.000 0.884 227 R CB 1.668 31.999 30.300 0.053 0.000 1.182 227 R HN 0.576 nan 8.270 nan 0.000 0.442 228 S N 1.557 117.416 115.700 0.266 0.000 2.549 228 S HA 0.406 4.882 4.470 0.009 0.000 0.286 228 S C -0.173 174.479 174.600 0.087 0.000 1.314 228 S CA -0.072 58.173 58.200 0.075 0.000 1.062 228 S CB 1.046 64.230 63.200 -0.027 0.000 0.865 228 S HN 0.704 nan 8.310 nan 0.000 0.498 229 A N 2.707 125.548 122.820 0.035 0.000 2.612 229 A HA 0.802 5.127 4.320 0.009 0.000 0.293 229 A C -1.280 176.324 177.584 0.034 0.000 1.075 229 A CA -0.661 51.343 52.037 -0.054 0.000 0.680 229 A CB 1.157 20.089 19.000 -0.113 0.000 1.279 229 A HN 0.790 nan 8.150 nan 0.000 0.411 230 I N 0.391 120.961 120.570 0.000 0.000 2.686 230 I HA 0.677 4.852 4.170 0.009 0.000 0.295 230 I C -1.125 175.066 176.117 0.124 0.000 1.114 230 I CA -0.177 61.232 61.300 0.181 0.000 1.038 230 I CB 2.441 40.520 38.000 0.133 0.000 1.238 230 I HN 0.607 nan 8.210 nan 0.000 0.420 231 T N 6.163 120.818 114.554 0.168 0.000 2.786 231 T HA 0.457 4.813 4.350 0.009 0.000 0.283 231 T C -0.801 173.685 174.700 -0.357 0.000 0.992 231 T CA -0.360 61.684 62.100 -0.093 0.000 0.954 231 T CB 1.550 70.344 68.868 -0.123 0.000 0.934 231 T HN 0.264 nan 8.240 nan 0.000 0.440 232 V N 5.026 124.657 119.914 -0.472 0.000 2.347 232 V HA 0.492 4.617 4.120 0.009 0.000 0.280 232 V C -0.469 175.300 176.094 -0.541 0.000 1.021 232 V CA -0.790 61.243 62.300 -0.446 0.000 0.847 232 V CB 0.108 31.634 31.823 -0.494 0.000 0.990 232 V HN 0.714 nan 8.190 nan 0.000 0.444 233 F N 4.973 124.843 119.950 -0.134 0.000 2.380 233 F HA 0.523 5.056 4.527 0.010 0.000 0.319 233 F C -1.817 173.870 175.800 -0.188 0.000 1.113 233 F CA -2.589 55.240 58.000 -0.284 0.000 1.056 233 F CB 0.274 39.072 39.000 -0.336 0.000 1.289 233 F HN 0.293 nan 8.300 nan 0.000 0.515 234 P HA -0.070 nan 4.420 nan 0.000 0.263 234 P C -0.942 176.373 177.300 0.024 0.000 1.168 234 P CA 0.164 63.190 63.100 -0.124 0.000 0.759 234 P CB 0.168 31.702 31.700 -0.276 0.000 0.782 235 Q N 3.595 123.325 119.800 -0.116 0.000 2.471 235 Q HA 0.215 4.560 4.340 0.009 0.000 0.223 235 Q C -0.134 175.743 176.000 -0.204 0.000 1.045 235 Q CA -0.624 54.883 55.803 -0.492 0.000 0.956 235 Q CB 0.604 28.726 28.738 -1.026 0.000 1.249 235 Q HN 0.303 nan 8.270 nan 0.000 0.549 236 R N 0.176 120.538 120.500 -0.230 0.000 2.522 236 R HA 0.275 4.621 4.340 0.009 0.000 0.284 236 R C -0.728 175.503 176.300 -0.115 0.000 1.032 236 R CA 0.364 56.400 56.100 -0.106 0.000 1.049 236 R CB 0.427 30.659 30.300 -0.113 0.000 0.956 236 R HN 0.692 nan 8.270 nan 0.000 0.422 237 A N 5.762 128.558 122.820 -0.040 0.000 2.355 237 A HA 0.513 4.838 4.320 0.009 0.000 0.317 237 A C -2.228 175.346 177.584 -0.017 0.000 1.094 237 A CA -1.847 50.171 52.037 -0.032 0.000 0.764 237 A CB 1.169 20.181 19.000 0.019 0.000 1.230 237 A HN 0.452 nan 8.150 nan 0.000 0.448 238 P HA 0.177 nan 4.420 nan 0.000 0.265 238 P C 0.746 178.049 177.300 0.004 0.000 1.193 238 P CA 1.555 64.649 63.100 -0.009 0.000 0.765 238 P CB 0.599 32.296 31.700 -0.006 0.000 0.823 239 G N 1.928 110.730 108.800 0.003 0.000 2.314 239 G HA2 -0.229 3.737 3.960 0.009 0.000 0.292 239 G HA3 -0.229 3.737 3.960 0.009 0.000 0.292 239 G C 0.045 174.951 174.900 0.010 0.000 1.059 239 G CA 0.070 45.175 45.100 0.008 0.000 0.982 239 G HN 0.900 nan 8.290 nan 0.000 0.505 240 R N -0.590 119.914 120.500 0.007 0.000 2.736 240 R HA 0.472 4.817 4.340 0.009 0.000 0.250 240 R C 0.587 176.887 176.300 -0.000 0.000 1.098 240 R CA 0.054 56.158 56.100 0.008 0.000 0.978 240 R CB 0.383 30.697 30.300 0.023 0.000 1.263 240 R HN 0.935 nan 8.270 nan 0.000 0.460 241 G N 2.020 110.810 108.800 -0.017 0.000 2.690 241 G HA2 0.092 4.057 3.960 0.009 0.000 0.239 241 G HA3 0.092 4.057 3.960 0.009 0.000 0.239 241 G C -0.333 174.549 174.900 -0.030 0.000 1.233 241 G CA -0.205 44.880 45.100 -0.025 0.000 0.847 241 G HN 0.582 nan 8.290 nan 0.000 0.588 242 D N -0.818 119.578 120.400 -0.008 0.000 2.348 242 D HA 0.375 5.020 4.640 0.009 0.000 0.249 242 D C -0.420 175.884 176.300 0.008 0.000 1.110 242 D CA 0.056 54.084 54.000 0.047 0.000 0.967 242 D CB 0.912 41.750 40.800 0.063 0.000 1.139 242 D HN 0.109 nan 8.370 nan 0.000 0.466 243 F N 0.856 120.836 119.950 0.051 0.000 2.410 243 F HA 0.386 4.920 4.527 0.010 0.000 0.349 243 F C 0.781 176.618 175.800 0.062 0.000 1.117 243 F CA -0.253 57.768 58.000 0.036 0.000 1.104 243 F CB 0.865 39.886 39.000 0.035 0.000 1.122 243 F HN -0.215 nan 8.300 nan 0.000 0.483 244 R N 3.952 124.580 120.500 0.213 0.000 2.698 244 R HA 0.528 4.873 4.340 0.009 0.000 0.275 244 R C -1.325 175.137 176.300 0.271 0.000 1.001 244 R CA -0.828 55.413 56.100 0.235 0.000 0.896 244 R CB 2.306 32.751 30.300 0.242 0.000 1.218 244 R HN 0.634 nan 8.270 nan 0.000 0.462 245 I N 2.215 122.932 120.570 0.244 0.000 2.354 245 I HA 0.162 4.337 4.170 0.009 0.000 0.286 245 I C 0.473 176.798 176.117 0.347 0.000 1.007 245 I CA -0.472 60.967 61.300 0.231 0.000 1.167 245 I CB 1.190 39.266 38.000 0.126 0.000 1.320 245 I HN 0.526 nan 8.210 nan 0.000 0.458 246 W N 3.507 124.850 121.300 0.071 0.000 2.363 246 W HA -0.114 4.551 4.660 0.008 0.000 0.296 246 W C 1.001 177.625 176.519 0.175 0.000 1.212 246 W CA 0.243 57.696 57.345 0.180 0.000 1.260 246 W CB -0.866 28.687 29.460 0.155 0.000 1.131 246 W HN 0.407 nan 8.180 nan 0.000 0.530 247 N N 0.157 119.023 118.700 0.275 0.000 2.454 247 N HA 0.008 4.753 4.740 0.009 0.000 0.254 247 N C 1.352 176.923 175.510 0.103 0.000 1.228 247 N CA 0.870 54.003 53.050 0.137 0.000 0.900 247 N CB 0.704 39.206 38.487 0.025 0.000 1.089 247 N HN -0.067 nan 8.380 nan 0.000 0.449 248 S N 1.017 116.770 115.700 0.088 0.000 2.428 248 S HA -0.075 4.400 4.470 0.009 0.000 0.230 248 S C 0.369 174.963 174.600 -0.010 0.000 1.014 248 S CA 0.792 59.028 58.200 0.060 0.000 0.957 248 S CB 0.058 63.312 63.200 0.090 0.000 0.784 248 S HN 0.663 nan 8.310 nan 0.000 0.499 249 Q N -0.892 118.886 119.800 -0.037 0.000 2.456 249 Q HA 0.497 4.843 4.340 0.009 0.000 0.284 249 Q C 0.168 176.075 176.000 -0.154 0.000 1.061 249 Q CA -0.591 55.146 55.803 -0.110 0.000 0.799 249 Q CB 1.872 30.567 28.738 -0.071 0.000 1.445 249 Q HN 0.137 nan 8.270 nan 0.000 0.411 250 L N 0.131 121.232 121.223 -0.204 0.000 2.275 250 L HA 0.048 4.393 4.340 0.009 0.000 0.215 250 L C 0.253 176.957 176.870 -0.277 0.000 1.119 250 L CA 0.719 55.438 54.840 -0.202 0.000 0.790 250 L CB 0.197 42.128 42.059 -0.214 0.000 0.919 250 L HN 0.230 nan 8.230 nan 0.000 0.443 251 V N 0.730 120.382 119.914 -0.437 0.000 2.483 251 V HA 0.509 4.635 4.120 0.009 0.000 0.297 251 V C -0.392 175.231 176.094 -0.785 0.000 1.027 251 V CA -0.704 61.153 62.300 -0.738 0.000 0.855 251 V CB 1.894 32.996 31.823 -1.201 0.000 0.995 251 V HN 0.136 nan 8.190 nan 0.000 0.424 252 R N 2.938 123.090 120.500 -0.580 0.000 2.584 252 R HA 0.456 4.802 4.340 0.009 0.000 0.276 252 R C -1.837 174.289 176.300 -0.290 0.000 1.046 252 R CA -0.739 55.154 56.100 -0.346 0.000 0.906 252 R CB 2.283 32.491 30.300 -0.155 0.000 1.215 252 R HN 0.588 nan 8.270 nan 0.000 0.449 253 Y N 0.641 120.942 120.300 0.002 0.000 2.304 253 Y HA 0.415 4.971 4.550 0.009 0.000 0.328 253 Y C 1.070 176.937 175.900 -0.055 0.000 1.123 253 Y CA -0.492 57.618 58.100 0.017 0.000 1.218 253 Y CB 1.077 39.617 38.460 0.132 0.000 1.207 253 Y HN 0.677 nan 8.280 nan 0.000 0.495 254 A N 1.871 124.726 122.820 0.058 0.000 2.466 254 A HA 0.515 4.840 4.320 0.009 0.000 0.238 254 A C 0.632 178.005 177.584 -0.352 0.000 1.074 254 A CA 0.340 52.252 52.037 -0.209 0.000 0.774 254 A CB -0.262 18.562 19.000 -0.293 0.000 1.015 254 A HN 0.951 nan 8.150 nan 0.000 0.498 255 G N 0.644 109.199 108.800 -0.408 0.000 2.728 255 G HA2 0.538 4.504 3.960 0.009 0.000 0.296 255 G HA3 0.538 4.504 3.960 0.009 0.000 0.296 255 G C -1.027 173.690 174.900 -0.305 0.000 1.401 255 G CA -0.281 44.634 45.100 -0.308 0.000 1.007 255 G HN 0.558 nan 8.290 nan 0.000 0.527 256 Y N 1.391 121.706 120.300 0.025 0.000 2.341 256 Y HA 0.410 4.965 4.550 0.009 0.000 0.340 256 Y C 0.935 176.837 175.900 0.002 0.000 0.997 256 Y CA -1.047 57.067 58.100 0.024 0.000 1.149 256 Y CB 1.561 40.032 38.460 0.018 0.000 1.171 256 Y HN 0.492 nan 8.280 nan 0.000 0.494 257 R N 3.729 124.319 120.500 0.150 0.000 2.345 257 R HA 0.063 4.408 4.340 0.009 0.000 0.331 257 R C -0.212 176.132 176.300 0.073 0.000 1.067 257 R CA -0.140 56.009 56.100 0.082 0.000 0.962 257 R CB 0.100 30.436 30.300 0.061 0.000 0.987 257 R HN 0.572 nan 8.270 nan 0.000 0.451 258 Q N 2.441 122.274 119.800 0.055 0.000 2.471 258 Q HA -0.049 4.296 4.340 0.009 0.000 0.223 258 Q C 0.609 176.620 176.000 0.018 0.000 1.045 258 Q CA -0.035 55.788 55.803 0.033 0.000 0.956 258 Q CB 0.655 29.408 28.738 0.024 0.000 1.249 258 Q HN 0.617 nan 8.270 nan 0.000 0.549 259 Q N 0.930 120.733 119.800 0.006 0.000 2.050 259 Q HA -0.150 4.195 4.340 0.009 0.000 0.202 259 Q C 0.922 176.924 176.000 0.003 0.000 0.980 259 Q CA 1.942 57.745 55.803 0.001 0.000 0.840 259 Q CB 0.068 28.802 28.738 -0.007 0.000 0.898 259 Q HN 0.681 nan 8.270 nan 0.000 0.424 260 D N -2.221 118.181 120.400 0.003 0.000 2.358 260 D HA -0.019 4.627 4.640 0.009 0.000 0.241 260 D C 0.943 177.248 176.300 0.007 0.000 1.094 260 D CA 0.871 54.874 54.000 0.004 0.000 0.907 260 D CB 0.141 40.942 40.800 0.002 0.000 0.893 260 D HN 0.452 nan 8.370 nan 0.000 0.528 261 G N 0.966 109.772 108.800 0.011 0.000 2.320 261 G HA2 -0.371 3.594 3.960 0.009 0.000 0.242 261 G HA3 -0.371 3.594 3.960 0.009 0.000 0.242 261 G C 0.682 175.591 174.900 0.015 0.000 1.033 261 G CA 0.549 45.657 45.100 0.013 0.000 0.620 261 G HN 0.720 nan 8.290 nan 0.000 0.517 262 S N -0.697 115.011 115.700 0.013 0.000 2.632 262 S HA 0.618 5.093 4.470 0.009 0.000 0.254 262 S C 0.183 174.791 174.600 0.014 0.000 1.291 262 S CA 0.370 58.577 58.200 0.011 0.000 0.974 262 S CB 1.682 64.887 63.200 0.008 0.000 1.016 262 S HN 1.251 nan 8.310 nan 0.000 0.579 263 V N 0.818 120.733 119.914 0.001 0.000 2.638 263 V HA 0.528 4.654 4.120 0.009 0.000 0.306 263 V C -0.123 175.958 176.094 -0.022 0.000 1.052 263 V CA -0.773 61.525 62.300 -0.004 0.000 0.885 263 V CB 1.673 33.477 31.823 -0.033 0.000 0.999 263 V HN 0.911 nan 8.190 nan 0.000 0.424 264 R N 2.788 123.306 120.500 0.030 0.000 2.294 264 R HA 0.697 5.043 4.340 0.009 0.000 0.319 264 R C 0.599 176.880 176.300 -0.032 0.000 0.984 264 R CA 0.912 57.032 56.100 0.034 0.000 0.861 264 R CB 1.207 31.591 30.300 0.140 0.000 1.104 264 R HN 1.198 nan 8.270 nan 0.000 0.451 265 G N 2.969 111.668 108.800 -0.168 0.000 2.464 265 G HA2 -0.248 3.718 3.960 0.009 0.000 0.216 265 G HA3 -0.248 3.718 3.960 0.009 0.000 0.216 265 G C -1.297 173.267 174.900 -0.560 0.000 1.186 265 G CA -0.053 44.878 45.100 -0.280 0.000 1.010 265 G HN 0.632 nan 8.290 nan 0.000 0.585 266 D N 1.688 121.878 120.400 -0.350 0.000 2.412 266 D HA 0.583 5.228 4.640 0.009 0.000 0.224 266 D C -1.057 175.145 176.300 -0.163 0.000 1.093 266 D CA -2.010 51.795 54.000 -0.325 0.000 0.850 266 D CB 1.501 42.391 40.800 0.150 0.000 1.046 266 D HN -0.016 nan 8.370 nan 0.000 0.507 267 P HA -0.120 nan 4.420 nan 0.000 0.218 267 P C 0.917 178.220 177.300 0.005 0.000 1.146 267 P CA 1.011 64.071 63.100 -0.067 0.000 0.813 267 P CB 0.288 31.959 31.700 -0.049 0.000 0.778 268 A N -0.418 122.423 122.820 0.035 0.000 2.015 268 A HA -0.128 4.198 4.320 0.009 0.000 0.219 268 A C 1.593 179.225 177.584 0.079 0.000 1.163 268 A CA 1.357 53.447 52.037 0.088 0.000 0.646 268 A CB -0.873 18.205 19.000 0.129 0.000 0.806 268 A HN 0.164 nan 8.150 nan 0.000 0.448 269 N N -0.116 118.614 118.700 0.050 0.000 2.279 269 N HA 0.156 4.902 4.740 0.009 0.000 0.226 269 N C 1.021 176.521 175.510 -0.016 0.000 1.126 269 N CA 0.136 53.201 53.050 0.026 0.000 0.846 269 N CB 0.667 39.166 38.487 0.020 0.000 1.050 269 N HN 0.207 nan 8.380 nan 0.000 0.502 270 V N 0.903 120.812 119.914 -0.008 0.000 2.295 270 V HA -0.234 3.892 4.120 0.009 0.000 0.246 270 V C 2.446 178.532 176.094 -0.013 0.000 1.049 270 V CA 1.807 64.099 62.300 -0.014 0.000 1.024 270 V CB -0.269 31.557 31.823 0.005 0.000 0.648 270 V HN 0.392 nan 8.190 nan 0.000 0.447 271 E N -0.267 119.928 120.200 -0.008 0.000 2.072 271 E HA -0.244 4.111 4.350 0.009 0.000 0.191 271 E C 2.104 178.613 176.600 -0.151 0.000 0.985 271 E CA 1.505 57.870 56.400 -0.058 0.000 0.801 271 E CB -0.141 29.555 29.700 -0.006 0.000 0.750 271 E HN 0.508 nan 8.360 nan 0.000 0.452 272 I N 0.637 121.139 120.570 -0.114 0.000 2.439 272 I HA -0.168 4.007 4.170 0.009 0.000 0.251 272 I C 1.965 178.020 176.117 -0.103 0.000 1.139 272 I CA 1.364 62.577 61.300 -0.146 0.000 1.438 272 I CB -0.232 37.736 38.000 -0.054 0.000 1.085 272 I HN 0.071 nan 8.210 nan 0.000 0.427 273 T N 0.387 114.903 114.554 -0.062 0.000 2.737 273 T HA -0.147 4.208 4.350 0.009 0.000 0.265 273 T C 1.689 176.450 174.700 0.102 0.000 1.038 273 T CA 1.693 63.795 62.100 0.004 0.000 1.144 273 T CB -0.258 68.604 68.868 -0.010 0.000 0.866 273 T HN 0.460 nan 8.240 nan 0.000 0.434 274 E N 0.781 121.011 120.200 0.050 0.000 2.204 274 E HA -0.015 4.340 4.350 0.009 0.000 0.195 274 E C 2.129 178.759 176.600 0.050 0.000 0.990 274 E CA 0.635 57.073 56.400 0.063 0.000 0.821 274 E CB -0.241 29.471 29.700 0.020 0.000 0.750 274 E HN 0.418 nan 8.360 nan 0.000 0.477 275 L N 0.155 121.373 121.223 -0.009 0.000 2.109 275 L HA -0.158 4.187 4.340 0.009 0.000 0.207 275 L C 2.464 179.434 176.870 0.167 0.000 1.086 275 L CA 0.593 55.458 54.840 0.042 0.000 0.760 275 L CB -0.225 41.765 42.059 -0.114 0.000 0.910 275 L HN 0.293 nan 8.230 nan 0.000 0.437 276 C N -0.119 119.229 119.300 0.080 0.000 2.425 276 C HA -0.132 4.333 4.460 0.009 0.000 0.277 276 C C 2.697 177.860 174.990 0.288 0.000 1.280 276 C CA 0.412 59.492 59.018 0.103 0.000 1.744 276 C CB -0.601 27.100 27.740 -0.066 0.000 1.989 276 C HN 0.418 nan 8.230 nan 0.000 0.491 277 I N 0.510 121.266 120.570 0.310 0.000 2.202 277 I HA -0.248 3.928 4.170 0.009 0.000 0.242 277 I C 2.529 178.714 176.117 0.113 0.000 1.091 277 I CA 1.535 62.978 61.300 0.238 0.000 1.368 277 I CB -0.684 37.426 38.000 0.183 0.000 1.058 277 I HN 0.432 nan 8.210 nan 0.000 0.410 278 Q N -0.249 119.596 119.800 0.076 0.000 2.439 278 Q HA -0.200 4.146 4.340 0.009 0.000 0.211 278 Q C 0.739 176.622 176.000 -0.195 0.000 0.978 278 Q CA 1.043 56.816 55.803 -0.049 0.000 0.897 278 Q CB -0.143 28.556 28.738 -0.065 0.000 0.956 278 Q HN 0.634 nan 8.270 nan 0.000 0.483 279 H N -1.748 117.311 119.070 -0.017 0.000 2.486 279 H HA 0.252 4.814 4.556 0.009 0.000 0.284 279 H C 0.765 176.069 175.328 -0.040 0.000 1.103 279 H CA 0.439 56.451 56.048 -0.061 0.000 1.089 279 H CB 1.047 30.729 29.762 -0.133 0.000 1.603 279 H HN 0.324 nan 8.280 nan 0.000 0.557 280 G N -0.116 108.720 108.800 0.060 0.000 2.176 280 G HA2 -0.264 3.701 3.960 0.009 0.000 0.232 280 G HA3 -0.264 3.701 3.960 0.009 0.000 0.232 280 G C -0.057 174.906 174.900 0.106 0.000 0.986 280 G CA -0.129 44.995 45.100 0.041 0.000 0.643 280 G HN 0.364 nan 8.290 nan 0.000 0.522 281 W N 2.535 123.815 121.300 -0.033 0.000 2.266 281 W HA 0.654 5.320 4.660 0.009 0.000 0.317 281 W C 0.177 176.690 176.519 -0.009 0.000 1.310 281 W CA 0.150 57.479 57.345 -0.027 0.000 1.207 281 W CB 0.895 30.346 29.460 -0.014 0.000 1.199 281 W HN 0.025 nan 8.180 nan 0.000 0.544 282 T N 9.739 123.936 114.554 -0.595 0.000 2.747 282 T HA 0.193 4.549 4.350 0.009 0.000 0.301 282 T C -2.047 171.890 174.700 -1.270 0.000 0.952 282 T CA -0.920 60.791 62.100 -0.648 0.000 0.983 282 T CB 0.426 69.075 68.868 -0.365 0.000 0.930 282 T HN 0.250 nan 8.240 nan 0.000 0.494 283 P HA 0.251 nan 4.420 nan 0.000 0.269 283 P C 0.328 177.242 177.300 -0.643 0.000 1.215 283 P CA -0.174 62.237 63.100 -1.148 0.000 0.780 283 P CB 0.888 32.313 31.700 -0.457 0.000 0.898 284 G N 0.898 109.485 108.800 -0.355 0.000 2.857 284 G HA2 0.435 4.401 3.960 0.009 0.000 0.217 284 G HA3 0.435 4.401 3.960 0.009 0.000 0.217 284 G C -0.438 174.201 174.900 -0.434 0.000 1.357 284 G CA -0.894 44.093 45.100 -0.189 0.000 1.033 284 G HN 0.779 nan 8.290 nan 0.000 0.571 285 N N -1.327 117.243 118.700 -0.216 0.000 2.635 285 N HA 0.381 5.126 4.740 0.009 0.000 0.252 285 N C -0.117 175.399 175.510 0.010 0.000 1.589 285 N CA -0.662 52.216 53.050 -0.287 0.000 0.828 285 N CB 0.987 39.303 38.487 -0.284 0.000 1.403 285 N HN 0.741 nan 8.380 nan 0.000 0.518 286 G N 0.258 109.182 108.800 0.206 0.000 2.816 286 G HA2 0.344 4.309 3.960 0.009 0.000 0.288 286 G HA3 0.344 4.309 3.960 0.009 0.000 0.288 286 G C 0.308 175.294 174.900 0.143 0.000 1.334 286 G CA -0.757 44.441 45.100 0.162 0.000 0.978 286 G HN 0.160 nan 8.290 nan 0.000 0.493 287 R N -1.165 119.322 120.500 -0.022 0.000 2.200 287 R HA 0.122 4.467 4.340 0.009 0.000 0.208 287 R C -0.038 175.857 176.300 -0.674 0.000 1.033 287 R CA 0.777 56.681 56.100 -0.327 0.000 1.000 287 R CB 0.074 30.069 30.300 -0.509 0.000 0.906 287 R HN 0.396 nan 8.270 nan 0.000 0.462 288 F N 1.043 120.956 119.950 -0.061 0.000 2.679 288 F HA 0.249 4.782 4.527 0.009 0.000 0.354 288 F C -0.673 175.126 175.800 -0.002 0.000 1.423 288 F CA -1.030 56.728 58.000 -0.403 0.000 1.141 288 F CB 0.622 39.201 39.000 -0.702 0.000 1.168 288 F HN -0.305 nan 8.300 nan 0.000 0.530 289 D N 1.589 122.166 120.400 0.294 0.000 2.295 289 D HA 0.173 4.818 4.640 0.009 0.000 0.248 289 D C 0.178 176.715 176.300 0.395 0.000 1.154 289 D CA 0.099 54.324 54.000 0.374 0.000 0.857 289 D CB 2.239 43.312 40.800 0.455 0.000 1.117 289 D HN -0.042 nan 8.370 nan 0.000 0.468 290 V N 3.918 124.027 119.914 0.325 0.000 2.521 290 V HA 0.023 4.148 4.120 0.009 0.000 0.286 290 V C 0.963 177.038 176.094 -0.031 0.000 1.034 290 V CA -0.264 62.108 62.300 0.120 0.000 1.045 290 V CB 0.333 32.190 31.823 0.057 0.000 0.974 290 V HN 0.338 nan 8.190 nan 0.000 0.480 291 L N 7.580 128.685 121.223 -0.197 0.000 2.453 291 L HA 0.364 4.709 4.340 0.009 0.000 0.261 291 L C -2.005 174.608 176.870 -0.428 0.000 1.179 291 L CA -1.468 53.098 54.840 -0.457 0.000 0.813 291 L CB 0.837 42.643 42.059 -0.422 0.000 1.110 291 L HN 0.476 nan 8.230 nan 0.000 0.466 292 P HA 0.315 nan 4.420 nan 0.000 0.278 292 P C -1.115 176.018 177.300 -0.279 0.000 1.258 292 P CA -0.560 62.298 63.100 -0.403 0.000 0.811 292 P CB 0.694 32.074 31.700 -0.534 0.000 1.063 293 L N 1.116 122.253 121.223 -0.143 0.000 2.334 293 L HA 0.391 4.737 4.340 0.009 0.000 0.277 293 L C 0.191 177.015 176.870 -0.077 0.000 1.075 293 L CA -0.590 54.207 54.840 -0.071 0.000 0.804 293 L CB 0.441 42.517 42.059 0.028 0.000 1.174 293 L HN 0.172 nan 8.230 nan 0.000 0.438 294 L N 5.043 126.203 121.223 -0.105 0.000 2.297 294 L HA 0.416 4.761 4.340 0.009 0.000 0.277 294 L C -0.518 176.238 176.870 -0.189 0.000 1.040 294 L CA -0.236 54.452 54.840 -0.254 0.000 0.867 294 L CB 0.670 42.477 42.059 -0.421 0.000 1.244 294 L HN 0.450 nan 8.230 nan 0.000 0.433 295 L N 3.685 124.867 121.223 -0.069 0.000 2.307 295 L HA 0.455 4.800 4.340 0.009 0.000 0.282 295 L C -0.106 176.714 176.870 -0.082 0.000 1.051 295 L CA -0.253 54.569 54.840 -0.031 0.000 0.804 295 L CB 1.518 43.562 42.059 -0.025 0.000 1.197 295 L HN 0.556 nan 8.230 nan 0.000 0.431 296 Q N 2.600 122.374 119.800 -0.043 0.000 2.310 296 Q HA 0.662 5.007 4.340 0.009 0.000 0.270 296 Q C -1.195 174.734 176.000 -0.119 0.000 1.025 296 Q CA -0.546 55.228 55.803 -0.050 0.000 0.772 296 Q CB 2.155 30.957 28.738 0.107 0.000 1.253 296 Q HN 0.789 nan 8.270 nan 0.000 0.450 297 A N 4.740 127.432 122.820 -0.213 0.000 2.264 297 A HA 0.710 5.035 4.320 0.009 0.000 0.304 297 A C -2.464 174.841 177.584 -0.464 0.000 1.100 297 A CA -1.737 49.987 52.037 -0.522 0.000 0.839 297 A CB 0.247 19.054 19.000 -0.321 0.000 1.121 297 A HN 0.633 nan 8.150 nan 0.000 0.496 298 P HA 0.046 nan 4.420 nan 0.000 0.261 298 P C -0.592 176.615 177.300 -0.156 0.000 1.183 298 P CA 0.852 63.756 63.100 -0.326 0.000 0.761 298 P CB 0.129 31.655 31.700 -0.289 0.000 0.785 299 D N 0.109 120.459 120.400 -0.083 0.000 3.039 299 D HA -0.198 4.448 4.640 0.009 0.000 0.222 299 D C -0.198 176.086 176.300 -0.027 0.000 1.179 299 D CA 1.309 55.288 54.000 -0.034 0.000 0.880 299 D CB -0.745 40.040 40.800 -0.026 0.000 1.115 299 D HN 0.572 nan 8.370 nan 0.000 0.416 300 E N -0.340 119.833 120.200 -0.045 0.000 2.227 300 E HA 0.635 4.990 4.350 0.009 0.000 0.268 300 E C 0.087 176.675 176.600 -0.021 0.000 0.907 300 E CA -0.684 55.695 56.400 -0.035 0.000 0.786 300 E CB 1.693 31.360 29.700 -0.055 0.000 1.191 300 E HN 0.178 nan 8.360 nan 0.000 0.411 301 A N 3.306 126.117 122.820 -0.015 0.000 2.448 301 A HA 0.280 4.606 4.320 0.009 0.000 0.239 301 A C -2.207 175.309 177.584 -0.114 0.000 1.080 301 A CA -0.894 51.133 52.037 -0.018 0.000 0.779 301 A CB -0.424 18.577 19.000 0.002 0.000 1.026 301 A HN 0.320 nan 8.150 nan 0.000 0.499 302 P HA 0.243 nan 4.420 nan 0.000 0.271 302 P C -0.608 176.484 177.300 -0.347 0.000 1.216 302 P CA 0.167 62.964 63.100 -0.505 0.000 0.776 302 P CB 0.549 31.497 31.700 -1.255 0.000 0.881 303 E N 1.237 121.291 120.200 -0.244 0.000 2.183 303 E HA 0.397 4.752 4.350 0.009 0.000 0.271 303 E C -0.901 175.481 176.600 -0.363 0.000 0.919 303 E CA -0.981 55.260 56.400 -0.264 0.000 0.781 303 E CB 1.289 30.897 29.700 -0.152 0.000 1.140 303 E HN 0.230 nan 8.360 nan 0.000 0.402 304 L N 3.473 124.377 121.223 -0.531 0.000 2.326 304 L HA 0.438 4.783 4.340 0.009 0.000 0.278 304 L C -1.469 174.911 176.870 -0.816 0.000 1.092 304 L CA 0.207 54.766 54.840 -0.469 0.000 0.810 304 L CB 0.170 42.054 42.059 -0.292 0.000 1.153 304 L HN 0.413 nan 8.230 nan 0.000 0.439 305 F N 3.728 123.446 119.950 -0.387 0.000 2.561 305 F HA 0.473 5.006 4.527 0.010 0.000 0.313 305 F C -0.341 175.174 175.800 -0.476 0.000 1.126 305 F CA -0.889 56.734 58.000 -0.627 0.000 0.918 305 F CB 1.844 40.103 39.000 -1.234 0.000 1.199 305 F HN 0.007 nan 8.300 nan 0.000 0.444 306 V N 4.618 124.416 119.914 -0.193 0.000 2.407 306 V HA 0.315 4.441 4.120 0.009 0.000 0.278 306 V C 0.128 176.304 176.094 0.138 0.000 1.037 306 V CA -0.746 61.538 62.300 -0.028 0.000 0.900 306 V CB 1.381 33.226 31.823 0.038 0.000 0.983 306 V HN 0.534 nan 8.190 nan 0.000 0.459 307 L N 7.269 128.599 121.223 0.178 0.000 2.410 307 L HA 0.291 4.636 4.340 0.009 0.000 0.273 307 L C -2.129 174.848 176.870 0.177 0.000 1.152 307 L CA -1.497 53.502 54.840 0.265 0.000 0.855 307 L CB 0.472 42.614 42.059 0.138 0.000 1.129 307 L HN 0.421 nan 8.230 nan 0.000 0.463 308 P HA 0.063 nan 4.420 nan 0.000 0.267 308 P C -1.977 175.370 177.300 0.078 0.000 1.209 308 P CA -0.886 62.283 63.100 0.115 0.000 0.763 308 P CB 0.407 32.161 31.700 0.091 0.000 0.816 309 P HA -0.249 nan 4.420 nan 0.000 0.217 309 P C 1.336 178.664 177.300 0.047 0.000 1.151 309 P CA 1.382 64.520 63.100 0.064 0.000 0.849 309 P CB -0.169 31.572 31.700 0.068 0.000 0.787 310 E N -0.726 119.498 120.200 0.040 0.000 2.338 310 E HA -0.135 4.221 4.350 0.009 0.000 0.197 310 E C 1.522 178.134 176.600 0.021 0.000 1.007 310 E CA 0.975 57.392 56.400 0.027 0.000 0.849 310 E CB -0.876 28.837 29.700 0.023 0.000 0.774 310 E HN 0.222 nan 8.360 nan 0.000 0.506 311 L N 0.974 122.210 121.223 0.021 0.000 2.307 311 L HA 0.047 4.393 4.340 0.009 0.000 0.211 311 L C 0.954 177.833 176.870 0.015 0.000 1.099 311 L CA 0.595 55.441 54.840 0.011 0.000 0.816 311 L CB 0.347 42.403 42.059 -0.005 0.000 0.952 311 L HN -0.094 nan 8.230 nan 0.000 0.455 312 V N 1.863 121.788 119.914 0.019 0.000 2.267 312 V HA 0.122 4.247 4.120 0.009 0.000 0.254 312 V C 0.091 176.210 176.094 0.041 0.000 1.144 312 V CA -0.720 61.590 62.300 0.017 0.000 0.992 312 V CB 0.411 32.236 31.823 0.003 0.000 1.199 312 V HN 0.027 nan 8.190 nan 0.000 0.493 313 L N 5.273 126.526 121.223 0.050 0.000 2.462 313 L HA 0.336 4.681 4.340 0.009 0.000 0.272 313 L C 0.266 177.174 176.870 0.064 0.000 1.166 313 L CA 0.855 55.721 54.840 0.042 0.000 0.880 313 L CB 0.206 42.286 42.059 0.034 0.000 1.142 313 L HN 0.619 nan 8.230 nan 0.000 0.473 314 E N 3.278 123.492 120.200 0.024 0.000 2.336 314 E HA 0.605 4.960 4.350 0.009 0.000 0.267 314 E C -1.448 175.094 176.600 -0.098 0.000 0.906 314 E CA -1.044 55.365 56.400 0.016 0.000 0.781 314 E CB 2.405 32.139 29.700 0.056 0.000 1.261 314 E HN 0.366 nan 8.360 nan 0.000 0.436 315 V N 2.611 122.428 119.914 -0.161 0.000 2.407 315 V HA 0.307 4.433 4.120 0.009 0.000 0.291 315 V C -2.457 173.552 176.094 -0.141 0.000 1.018 315 V CA -2.060 60.081 62.300 -0.265 0.000 0.842 315 V CB 1.301 32.719 31.823 -0.676 0.000 0.996 315 V HN 0.524 nan 8.190 nan 0.000 0.426 316 P HA 0.287 nan 4.420 nan 0.000 0.276 316 P C -0.553 176.741 177.300 -0.009 0.000 1.235 316 P CA -0.101 62.960 63.100 -0.066 0.000 0.772 316 P CB 0.558 32.231 31.700 -0.045 0.000 0.871 317 L N 4.133 125.383 121.223 0.045 0.000 2.305 317 L HA 0.407 4.752 4.340 0.009 0.000 0.281 317 L C 1.107 178.118 176.870 0.235 0.000 1.085 317 L CA -0.006 54.924 54.840 0.150 0.000 0.813 317 L CB 0.350 42.550 42.059 0.236 0.000 1.157 317 L HN 0.485 nan 8.230 nan 0.000 0.436 318 E N 2.082 122.395 120.200 0.188 0.000 2.446 318 E HA 0.419 4.774 4.350 0.009 0.000 0.276 318 E C -1.365 175.250 176.600 0.025 0.000 0.969 318 E CA -0.964 55.558 56.400 0.203 0.000 0.800 318 E CB 2.320 32.118 29.700 0.164 0.000 1.341 318 E HN 0.463 nan 8.360 nan 0.000 0.460 319 H N 1.162 120.095 119.070 -0.228 0.000 2.492 319 H HA 0.234 4.796 4.556 0.009 0.000 0.345 319 H C -1.778 173.213 175.328 -0.562 0.000 1.136 319 H CA -2.255 53.492 56.048 -0.502 0.000 1.202 319 H CB 2.110 31.485 29.762 -0.645 0.000 1.524 319 H HN 0.408 nan 8.280 nan 0.000 0.506 320 P HA -0.135 nan 4.420 nan 0.000 0.219 320 P C 0.889 178.013 177.300 -0.293 0.000 1.146 320 P CA 1.827 64.401 63.100 -0.876 0.000 0.808 320 P CB 0.480 31.688 31.700 -0.819 0.000 0.779 321 T N -4.511 110.030 114.554 -0.022 0.000 3.010 321 T HA 0.186 4.541 4.350 0.009 0.000 0.252 321 T C 0.933 175.593 174.700 -0.066 0.000 0.963 321 T CA -0.254 61.844 62.100 -0.003 0.000 0.952 321 T CB -0.625 68.254 68.868 0.018 0.000 1.182 321 T HN -0.061 nan 8.240 nan 0.000 0.495 322 L N 3.069 124.177 121.223 -0.191 0.000 2.401 322 L HA 0.331 4.676 4.340 0.009 0.000 0.283 322 L C 1.261 177.794 176.870 -0.562 0.000 1.151 322 L CA -0.242 54.212 54.840 -0.644 0.000 0.942 322 L CB 0.163 41.410 42.059 -1.353 0.000 1.283 322 L HN 0.322 nan 8.230 nan 0.000 0.442 323 E N 3.018 123.062 120.200 -0.260 0.000 2.209 323 E HA -0.220 4.136 4.350 0.009 0.000 0.196 323 E C 1.593 178.181 176.600 -0.021 0.000 0.993 323 E CA 1.503 57.851 56.400 -0.086 0.000 0.819 323 E CB -0.015 29.696 29.700 0.018 0.000 0.745 323 E HN 0.833 nan 8.360 nan 0.000 0.477 324 W N -0.004 121.344 121.300 0.080 0.000 2.595 324 W HA -0.022 4.643 4.660 0.009 0.000 0.257 324 W C 1.501 178.066 176.519 0.077 0.000 1.267 324 W CA -0.173 57.207 57.345 0.058 0.000 1.300 324 W CB -0.900 28.572 29.460 0.020 0.000 1.120 324 W HN -0.057 nan 8.180 nan 0.000 0.618 325 F N 2.868 122.619 119.950 -0.332 0.000 2.126 325 F HA -0.157 4.375 4.527 0.009 0.000 0.299 325 F C 2.748 178.567 175.800 0.032 0.000 1.096 325 F CA 3.041 60.929 58.000 -0.187 0.000 1.255 325 F CB -0.521 38.220 39.000 -0.432 0.000 0.997 325 F HN -0.076 nan 8.300 nan 0.000 0.479 326 A N -0.008 122.949 122.820 0.228 0.000 1.978 326 A HA -0.111 4.215 4.320 0.009 0.000 0.220 326 A C 2.266 179.916 177.584 0.109 0.000 1.170 326 A CA 1.501 53.641 52.037 0.171 0.000 0.636 326 A CB -1.410 17.665 19.000 0.125 0.000 0.810 326 A HN 0.427 nan 8.150 nan 0.000 0.448 327 A N -0.428 122.463 122.820 0.118 0.000 2.172 327 A HA 0.088 4.414 4.320 0.009 0.000 0.216 327 A C 1.901 179.527 177.584 0.070 0.000 1.154 327 A CA 1.053 53.149 52.037 0.099 0.000 0.701 327 A CB -0.552 18.524 19.000 0.128 0.000 0.789 327 A HN 0.503 nan 8.150 nan 0.000 0.465 328 L N -1.227 120.017 121.223 0.033 0.000 2.376 328 L HA 0.041 4.387 4.340 0.009 0.000 0.219 328 L C 1.804 178.695 176.870 0.036 0.000 1.133 328 L CA 0.605 55.438 54.840 -0.012 0.000 0.816 328 L CB -0.594 41.355 42.059 -0.184 0.000 0.933 328 L HN 0.567 nan 8.230 nan 0.000 0.449 329 G N 0.892 109.718 108.800 0.043 0.000 2.198 329 G HA2 -0.284 3.681 3.960 0.009 0.000 0.260 329 G HA3 -0.284 3.681 3.960 0.009 0.000 0.260 329 G C 0.154 175.066 174.900 0.020 0.000 1.025 329 G CA 0.029 45.160 45.100 0.052 0.000 0.769 329 G HN 0.247 nan 8.290 nan 0.000 0.507 330 L N -0.419 120.796 121.223 -0.013 0.000 2.421 330 L HA 0.845 5.190 4.340 0.009 0.000 0.263 330 L C 1.111 177.792 176.870 -0.315 0.000 1.122 330 L CA -0.678 54.091 54.840 -0.119 0.000 0.804 330 L CB 1.000 43.094 42.059 0.058 0.000 1.150 330 L HN 0.585 nan 8.230 nan 0.000 0.457 331 R N 0.781 120.905 120.500 -0.626 0.000 2.741 331 R HA 0.434 4.779 4.340 0.009 0.000 0.276 331 R C -2.217 173.972 176.300 -0.185 0.000 1.028 331 R CA -1.028 54.836 56.100 -0.394 0.000 0.865 331 R CB 1.482 31.489 30.300 -0.489 0.000 1.268 331 R HN 0.647 nan 8.270 nan 0.000 0.475 332 W N 1.421 122.639 121.300 -0.137 0.000 3.213 332 W HA 0.358 5.023 4.660 0.008 0.000 0.318 332 W C -1.254 175.307 176.519 0.071 0.000 1.248 332 W CA -0.931 56.418 57.345 0.006 0.000 1.187 332 W CB 1.965 31.356 29.460 -0.115 0.000 1.403 332 W HN 0.681 nan 8.180 nan 0.000 0.556 333 Y N 1.171 121.400 120.300 -0.117 0.000 2.301 333 Y HA 0.555 5.110 4.550 0.008 0.000 0.328 333 Y C 0.833 176.962 175.900 0.382 0.000 1.242 333 Y CA 0.074 58.198 58.100 0.040 0.000 1.323 333 Y CB 0.171 38.533 38.460 -0.163 0.000 1.266 333 Y HN 0.356 nan 8.280 nan 0.000 0.527 334 A N 2.206 125.291 122.820 0.442 0.000 1.929 334 A HA 0.025 4.351 4.320 0.009 0.000 0.216 334 A C 0.618 178.552 177.584 0.582 0.000 1.176 334 A CA 0.515 52.856 52.037 0.508 0.000 0.628 334 A CB -0.410 18.735 19.000 0.242 0.000 0.816 334 A HN 0.687 nan 8.150 nan 0.000 0.444 335 L N 1.991 123.510 121.223 0.493 0.000 2.255 335 L HA 0.383 4.728 4.340 0.009 0.000 0.289 335 L C -2.472 174.551 176.870 0.256 0.000 1.046 335 L CA -2.132 52.896 54.840 0.313 0.000 0.816 335 L CB 1.472 43.639 42.059 0.180 0.000 1.197 335 L HN 0.017 nan 8.230 nan 0.000 0.427 336 P HA 0.324 nan 4.420 nan 0.000 0.291 336 P C -1.476 175.725 177.300 -0.165 0.000 1.340 336 P CA -0.354 62.606 63.100 -0.233 0.000 0.799 336 P CB 1.352 32.517 31.700 -0.891 0.000 0.917 337 A N 4.494 127.219 122.820 -0.159 0.000 2.466 337 A HA 0.410 4.736 4.320 0.009 0.000 0.291 337 A C -0.306 177.044 177.584 -0.390 0.000 1.234 337 A CA -0.655 51.211 52.037 -0.285 0.000 0.752 337 A CB 0.869 19.708 19.000 -0.268 0.000 1.153 337 A HN 0.293 nan 8.150 nan 0.000 0.458 338 V N 2.993 122.504 119.914 -0.672 0.000 2.508 338 V HA 0.251 4.376 4.120 0.009 0.000 0.281 338 V C 1.214 176.892 176.094 -0.694 0.000 1.041 338 V CA 1.133 63.007 62.300 -0.710 0.000 1.016 338 V CB 1.049 32.283 31.823 -0.981 0.000 0.984 338 V HN 1.083 nan 8.190 nan 0.000 0.478 339 S N 1.909 117.416 115.700 -0.322 0.000 2.666 339 S HA 0.055 4.531 4.470 0.009 0.000 0.239 339 S C 0.779 175.360 174.600 -0.032 0.000 1.031 339 S CA 0.066 58.165 58.200 -0.169 0.000 1.015 339 S CB -0.394 62.745 63.200 -0.102 0.000 0.981 339 S HN 0.913 nan 8.310 nan 0.000 0.547 340 N N 0.327 119.015 118.700 -0.019 0.000 2.187 340 N HA 0.305 5.050 4.740 0.009 0.000 0.212 340 N C 0.071 175.636 175.510 0.091 0.000 1.152 340 N CA -0.489 52.589 53.050 0.047 0.000 0.872 340 N CB 0.110 38.623 38.487 0.044 0.000 1.025 340 N HN 0.261 nan 8.380 nan 0.000 0.514 341 M N 1.457 121.131 119.600 0.123 0.000 2.314 341 M HA 0.300 4.785 4.480 0.009 0.000 0.342 341 M C -0.576 175.877 176.300 0.255 0.000 1.171 341 M CA -0.766 54.665 55.300 0.218 0.000 1.098 341 M CB 2.418 35.197 32.600 0.297 0.000 1.559 341 M HN 0.145 nan 8.290 nan 0.000 0.459 342 L N 3.452 124.808 121.223 0.220 0.000 2.289 342 L HA 0.461 4.807 4.340 0.009 0.000 0.285 342 L C -1.225 175.769 176.870 0.206 0.000 1.049 342 L CA -0.889 54.066 54.840 0.192 0.000 0.804 342 L CB 0.984 43.105 42.059 0.105 0.000 1.195 342 L HN 0.570 nan 8.230 nan 0.000 0.428 343 L N 5.550 126.896 121.223 0.204 0.000 2.257 343 L HA 0.420 4.765 4.340 0.009 0.000 0.290 343 L C -0.437 176.454 176.870 0.035 0.000 1.044 343 L CA 0.293 55.146 54.840 0.023 0.000 0.810 343 L CB 1.024 43.087 42.059 0.006 0.000 1.193 343 L HN 0.604 nan 8.230 nan 0.000 0.425 344 E N 6.602 126.741 120.200 -0.102 0.000 2.145 344 E HA 0.399 4.754 4.350 0.009 0.000 0.270 344 E C -1.565 174.938 176.600 -0.161 0.000 0.906 344 E CA -0.444 55.908 56.400 -0.081 0.000 0.761 344 E CB 1.151 30.803 29.700 -0.081 0.000 1.116 344 E HN 0.724 nan 8.360 nan 0.000 0.408 345 I N 2.680 123.157 120.570 -0.156 0.000 2.468 345 I HA 0.268 4.443 4.170 0.009 0.000 0.285 345 I C 0.842 176.740 176.117 -0.365 0.000 1.039 345 I CA -0.642 60.435 61.300 -0.371 0.000 1.074 345 I CB 1.975 39.672 38.000 -0.504 0.000 1.228 345 I HN 0.798 nan 8.210 nan 0.000 0.436 346 G N 4.149 112.792 108.800 -0.262 0.000 2.258 346 G HA2 -0.150 3.816 3.960 0.009 0.000 0.274 346 G HA3 -0.150 3.816 3.960 0.009 0.000 0.274 346 G C 1.021 176.001 174.900 0.134 0.000 1.021 346 G CA 0.757 45.901 45.100 0.073 0.000 0.798 346 G HN 1.552 nan 8.290 nan 0.000 0.507 347 G N -1.945 106.866 108.800 0.019 0.000 2.241 347 G HA2 -0.223 3.742 3.960 0.009 0.000 0.244 347 G HA3 -0.223 3.742 3.960 0.009 0.000 0.244 347 G C 0.505 175.354 174.900 -0.085 0.000 0.998 347 G CA 0.371 45.479 45.100 0.013 0.000 0.621 347 G HN 1.293 nan 8.290 nan 0.000 0.519 348 L N 1.174 122.287 121.223 -0.182 0.000 2.371 348 L HA 0.510 4.855 4.340 0.009 0.000 0.272 348 L C 0.299 176.966 176.870 -0.338 0.000 1.124 348 L CA -0.232 54.389 54.840 -0.364 0.000 0.816 348 L CB 0.903 42.634 42.059 -0.547 0.000 1.129 348 L HN 0.204 nan 8.230 nan 0.000 0.448 349 E N 3.195 123.151 120.200 -0.407 0.000 2.129 349 E HA 0.303 4.658 4.350 0.009 0.000 0.268 349 E C -1.347 175.024 176.600 -0.382 0.000 0.900 349 E CA -0.370 55.866 56.400 -0.272 0.000 0.755 349 E CB 1.265 30.877 29.700 -0.147 0.000 1.117 349 E HN 0.292 nan 8.360 nan 0.000 0.410 350 F N 2.340 122.258 119.950 -0.054 0.000 2.351 350 F HA 0.059 4.592 4.527 0.010 0.000 0.362 350 F C 1.725 177.561 175.800 0.060 0.000 1.131 350 F CA -0.373 57.623 58.000 -0.006 0.000 1.187 350 F CB 0.731 39.710 39.000 -0.034 0.000 1.434 350 F HN 0.445 nan 8.300 nan 0.000 0.553 351 S N 1.502 117.301 115.700 0.166 0.000 2.419 351 S HA -0.007 4.469 4.470 0.009 0.000 0.235 351 S C 0.931 175.665 174.600 0.223 0.000 1.019 351 S CA 0.550 58.847 58.200 0.163 0.000 0.982 351 S CB -0.074 63.200 63.200 0.125 0.000 0.789 351 S HN 0.472 nan 8.310 nan 0.000 0.490 352 A N 0.389 123.390 122.820 0.303 0.000 2.310 352 A HA 0.836 5.162 4.320 0.009 0.000 0.304 352 A C -0.149 177.690 177.584 0.426 0.000 1.231 352 A CA -0.200 52.051 52.037 0.357 0.000 0.799 352 A CB 1.064 20.284 19.000 0.367 0.000 1.162 352 A HN 1.161 nan 8.150 nan 0.000 0.486 353 A N 4.231 127.251 122.820 0.333 0.000 3.330 353 A HA 0.585 4.910 4.320 0.009 0.000 0.256 353 A C -3.042 174.682 177.584 0.233 0.000 1.185 353 A CA -0.786 51.395 52.037 0.240 0.000 0.940 353 A CB 0.317 19.450 19.000 0.223 0.000 1.397 353 A HN 0.540 nan 8.150 nan 0.000 0.678 354 P HA 0.393 nan 4.420 nan 0.000 0.265 354 P C -0.712 176.609 177.300 0.035 0.000 1.193 354 P CA 0.514 63.586 63.100 -0.046 0.000 0.765 354 P CB 0.200 31.845 31.700 -0.092 0.000 0.823 355 F N -0.004 119.889 119.950 -0.095 0.000 2.588 355 F HA 0.781 5.313 4.527 0.008 0.000 0.314 355 F C -0.551 175.149 175.800 -0.167 0.000 1.069 355 F CA -1.214 56.720 58.000 -0.110 0.000 0.931 355 F CB 1.685 40.488 39.000 -0.327 0.000 1.260 355 F HN 0.420 nan 8.300 nan 0.000 0.465 356 S N 0.443 116.217 115.700 0.123 0.000 2.579 356 S HA 0.954 5.429 4.470 0.009 0.000 0.272 356 S C -0.768 173.786 174.600 -0.076 0.000 1.141 356 S CA -0.156 58.048 58.200 0.007 0.000 0.843 356 S CB 1.509 64.769 63.200 0.100 0.000 1.122 356 S HN 1.501 nan 8.310 nan 0.000 0.468 357 G N -0.069 108.642 108.800 -0.147 0.000 3.418 357 G HA2 0.720 4.685 3.960 0.009 0.000 0.179 357 G HA3 0.720 4.685 3.960 0.009 0.000 0.179 357 G C -1.593 173.296 174.900 -0.017 0.000 1.212 357 G CA -0.213 44.725 45.100 -0.270 0.000 0.935 357 G HN 1.204 nan 8.290 nan 0.000 0.716 358 W N -1.397 119.907 121.300 0.007 0.000 3.083 358 W HA 0.811 5.475 4.660 0.007 0.000 0.333 358 W C -1.746 174.779 176.519 0.011 0.000 1.217 358 W CA -2.197 55.169 57.345 0.034 0.000 1.170 358 W CB 0.411 29.932 29.460 0.103 0.000 1.437 358 W HN 0.397 nan 8.180 nan 0.000 0.557 359 Y N 2.749 123.247 120.300 0.330 0.000 2.397 359 Y HA 0.280 4.836 4.550 0.009 0.000 0.335 359 Y C 0.836 176.799 175.900 0.105 0.000 1.213 359 Y CA -0.604 57.569 58.100 0.123 0.000 1.391 359 Y CB 1.122 39.559 38.460 -0.039 0.000 1.293 359 Y HN 0.474 nan 8.280 nan 0.000 0.557 360 M N 2.339 122.097 119.600 0.264 0.000 2.180 360 M HA 0.211 4.696 4.480 0.009 0.000 0.350 360 M C 1.007 177.310 176.300 0.005 0.000 1.125 360 M CA -0.310 55.068 55.300 0.130 0.000 1.031 360 M CB 1.162 33.819 32.600 0.095 0.000 1.623 360 M HN 0.826 nan 8.290 nan 0.000 0.451 361 S N 1.464 117.119 115.700 -0.075 0.000 2.407 361 S HA -0.202 4.273 4.470 0.009 0.000 0.235 361 S C 1.463 175.937 174.600 -0.209 0.000 1.036 361 S CA 2.220 60.301 58.200 -0.199 0.000 1.013 361 S CB -1.375 61.737 63.200 -0.145 0.000 0.820 361 S HN 0.927 nan 8.310 nan 0.000 0.476 362 T N -0.262 114.209 114.554 -0.139 0.000 2.962 362 T HA 0.016 4.371 4.350 0.009 0.000 0.270 362 T C 1.540 176.098 174.700 -0.237 0.000 1.088 362 T CA 1.140 63.116 62.100 -0.206 0.000 1.127 362 T CB -0.530 68.187 68.868 -0.252 0.000 0.883 362 T HN 0.595 nan 8.240 nan 0.000 0.493 363 E N 0.783 120.857 120.200 -0.210 0.000 2.077 363 E HA -0.025 4.330 4.350 0.009 0.000 0.193 363 E C 1.996 178.324 176.600 -0.454 0.000 0.989 363 E CA 1.279 57.551 56.400 -0.214 0.000 0.800 363 E CB -0.220 29.487 29.700 0.011 0.000 0.746 363 E HN 0.601 nan 8.360 nan 0.000 0.452 364 I N -0.040 120.134 120.570 -0.659 0.000 2.368 364 I HA -0.044 4.132 4.170 0.009 0.000 0.238 364 I C 2.589 178.359 176.117 -0.578 0.000 1.076 364 I CA 0.867 61.611 61.300 -0.927 0.000 1.397 364 I CB -0.602 36.780 38.000 -1.031 0.000 1.141 364 I HN 0.104 nan 8.210 nan 0.000 0.430 365 G N 0.153 108.719 108.800 -0.389 0.000 2.432 365 G HA2 -0.173 3.793 3.960 0.009 0.000 0.219 365 G HA3 -0.173 3.793 3.960 0.009 0.000 0.219 365 G C 1.596 176.392 174.900 -0.174 0.000 1.135 365 G CA 1.547 46.513 45.100 -0.223 0.000 0.767 365 G HN 0.306 nan 8.290 nan 0.000 0.550 366 T N -0.350 114.077 114.554 -0.211 0.000 3.053 366 T HA 0.113 4.468 4.350 0.009 0.000 0.236 366 T C 2.526 177.122 174.700 -0.174 0.000 0.996 366 T CA 0.184 62.179 62.100 -0.175 0.000 1.185 366 T CB 0.122 68.869 68.868 -0.201 0.000 0.892 366 T HN 0.015 nan 8.240 nan 0.000 0.432 367 R N 1.999 122.372 120.500 -0.212 0.000 2.052 367 R HA 0.173 4.518 4.340 0.009 0.000 0.226 367 R C 2.148 178.328 176.300 -0.200 0.000 1.145 367 R CA 1.030 57.011 56.100 -0.197 0.000 0.952 367 R CB -1.168 29.015 30.300 -0.195 0.000 0.847 367 R HN 0.309 nan 8.270 nan 0.000 0.431 368 N N 1.022 119.550 118.700 -0.287 0.000 2.120 368 N HA -0.082 4.663 4.740 0.009 0.000 0.188 368 N C 1.928 177.371 175.510 -0.112 0.000 1.024 368 N CA 1.063 53.938 53.050 -0.293 0.000 0.852 368 N CB -0.190 37.774 38.487 -0.872 0.000 1.003 368 N HN 0.190 nan 8.380 nan 0.000 0.424 369 L N -0.883 120.232 121.223 -0.179 0.000 2.354 369 L HA 0.096 4.441 4.340 0.009 0.000 0.212 369 L C 1.280 178.188 176.870 0.063 0.000 1.091 369 L CA 0.376 55.213 54.840 -0.005 0.000 0.828 369 L CB 0.198 42.228 42.059 -0.048 0.000 0.973 369 L HN 0.159 nan 8.230 nan 0.000 0.461 370 C N -1.448 117.846 119.300 -0.010 0.000 3.065 370 C HA 0.171 4.636 4.460 0.009 0.000 0.285 370 C C 0.705 175.685 174.990 -0.016 0.000 1.257 370 C CA -0.872 58.150 59.018 0.007 0.000 1.691 370 C CB -0.280 27.451 27.740 -0.014 0.000 2.089 370 C HN 0.289 nan 8.230 nan 0.000 0.630 371 D N 2.997 123.353 120.400 -0.073 0.000 2.488 371 D HA 0.047 4.692 4.640 0.009 0.000 0.238 371 D C -1.041 175.231 176.300 -0.047 0.000 1.138 371 D CA -1.318 52.609 54.000 -0.121 0.000 0.873 371 D CB 0.726 41.289 40.800 -0.394 0.000 1.183 371 D HN 0.199 nan 8.370 nan 0.000 0.458 372 P HA -0.165 nan 4.420 nan 0.000 0.219 372 P C 0.623 178.013 177.300 0.150 0.000 1.146 372 P CA 1.332 64.507 63.100 0.126 0.000 0.808 372 P CB 0.025 31.815 31.700 0.150 0.000 0.779 373 H N -2.580 116.498 119.070 0.014 0.000 2.520 373 H HA 0.374 4.935 4.556 0.009 0.000 0.284 373 H C 1.017 176.348 175.328 0.006 0.000 1.037 373 H CA -0.370 55.683 56.048 0.008 0.000 1.168 373 H CB -0.013 29.755 29.762 0.009 0.000 1.497 373 H HN -0.035 nan 8.280 nan 0.000 0.547 374 R N -0.080 120.320 120.500 -0.166 0.000 2.769 374 R HA 0.190 4.535 4.340 0.009 0.000 0.117 374 R C 1.100 177.350 176.300 -0.083 0.000 1.152 374 R CA -0.626 55.405 56.100 -0.114 0.000 0.887 374 R CB -0.867 29.384 30.300 -0.081 0.000 1.099 374 R HN 0.096 nan 8.270 nan 0.000 0.398 375 Y N 1.561 121.878 120.300 0.029 0.000 2.439 375 Y HA 0.008 4.563 4.550 0.009 0.000 0.292 375 Y C 0.704 176.631 175.900 0.045 0.000 1.130 375 Y CA 1.165 59.299 58.100 0.056 0.000 1.254 375 Y CB -0.305 38.228 38.460 0.122 0.000 1.000 375 Y HN 0.551 nan 8.280 nan 0.000 0.554 376 N N 0.832 119.616 118.700 0.141 0.000 2.714 376 N HA -0.226 4.519 4.740 0.009 0.000 0.252 376 N C 0.631 176.224 175.510 0.138 0.000 1.014 376 N CA 0.316 53.432 53.050 0.110 0.000 0.735 376 N CB -0.986 37.548 38.487 0.079 0.000 0.924 376 N HN 0.611 nan 8.380 nan 0.000 0.540 377 I N -3.280 117.388 120.570 0.163 0.000 3.684 377 I HA -0.003 4.172 4.170 0.009 0.000 0.304 377 I C 1.808 178.024 176.117 0.165 0.000 1.278 377 I CA -0.301 61.093 61.300 0.157 0.000 1.272 377 I CB -0.045 38.053 38.000 0.164 0.000 1.029 377 I HN 0.125 nan 8.210 nan 0.000 0.458 378 L N 1.948 123.278 121.223 0.178 0.000 1.997 378 L HA -0.271 4.074 4.340 0.009 0.000 0.216 378 L C 2.603 179.688 176.870 0.359 0.000 1.074 378 L CA 2.260 57.242 54.840 0.238 0.000 0.763 378 L CB -1.016 41.151 42.059 0.180 0.000 0.890 378 L HN 0.498 nan 8.230 nan 0.000 0.434 379 E N -1.074 119.335 120.200 0.348 0.000 2.058 379 E HA -0.246 4.109 4.350 0.009 0.000 0.194 379 E C 1.769 178.403 176.600 0.057 0.000 0.997 379 E CA 1.480 58.004 56.400 0.207 0.000 0.801 379 E CB -0.002 29.763 29.700 0.108 0.000 0.746 379 E HN 0.539 nan 8.360 nan 0.000 0.450 380 D N 0.033 120.471 120.400 0.064 0.000 2.104 380 D HA -0.152 4.493 4.640 0.009 0.000 0.194 380 D C 2.089 178.388 176.300 -0.002 0.000 0.994 380 D CA 1.117 55.121 54.000 0.007 0.000 0.830 380 D CB -0.269 40.544 40.800 0.021 0.000 0.959 380 D HN 0.129 nan 8.370 nan 0.000 0.452 381 V N 1.484 121.453 119.914 0.091 0.000 2.427 381 V HA -0.203 3.923 4.120 0.009 0.000 0.248 381 V C 2.531 178.714 176.094 0.149 0.000 1.051 381 V CA 1.631 64.033 62.300 0.170 0.000 1.048 381 V CB -0.736 31.270 31.823 0.304 0.000 0.666 381 V HN 0.171 nan 8.190 nan 0.000 0.456 382 A N -0.129 122.788 122.820 0.161 0.000 1.902 382 A HA -0.155 4.171 4.320 0.009 0.000 0.217 382 A C 2.404 179.958 177.584 -0.049 0.000 1.181 382 A CA 2.017 54.137 52.037 0.140 0.000 0.623 382 A CB -0.689 18.464 19.000 0.254 0.000 0.818 382 A HN 0.324 nan 8.150 nan 0.000 0.443 383 V N -0.631 119.203 119.914 -0.132 0.000 2.332 383 V HA -0.341 3.784 4.120 0.009 0.000 0.248 383 V C 2.631 178.569 176.094 -0.260 0.000 1.055 383 V CA 2.118 64.300 62.300 -0.196 0.000 1.038 383 V CB -1.076 30.634 31.823 -0.187 0.000 0.651 383 V HN 0.718 nan 8.190 nan 0.000 0.450 384 C N -0.525 118.552 119.300 -0.371 0.000 2.419 384 C HA -0.118 4.347 4.460 0.009 0.000 0.281 384 C C 2.577 177.134 174.990 -0.721 0.000 1.336 384 C CA 0.910 59.466 59.018 -0.770 0.000 1.770 384 C CB -1.065 25.864 27.740 -1.353 0.000 1.929 384 C HN 0.533 nan 8.230 nan 0.000 0.509 385 M N 0.056 119.488 119.600 -0.279 0.000 2.561 385 M HA 0.051 4.537 4.480 0.009 0.000 0.238 385 M C 0.465 176.745 176.300 -0.034 0.000 1.131 385 M CA 0.725 56.026 55.300 0.001 0.000 1.046 385 M CB -0.331 32.382 32.600 0.187 0.000 1.532 385 M HN 0.219 nan 8.290 nan 0.000 0.497 386 D N 1.631 121.961 120.400 -0.116 0.000 2.699 386 D HA -0.150 4.495 4.640 0.009 0.000 0.239 386 D C -1.027 175.242 176.300 -0.052 0.000 1.136 386 D CA 0.525 54.467 54.000 -0.096 0.000 0.668 386 D CB -0.935 39.817 40.800 -0.081 0.000 1.060 386 D HN 0.309 nan 8.370 nan 0.000 0.429 387 L N -0.338 120.856 121.223 -0.048 0.000 2.387 387 L HA 0.426 4.771 4.340 0.009 0.000 0.266 387 L C 0.971 177.783 176.870 -0.098 0.000 1.059 387 L CA -0.969 53.865 54.840 -0.009 0.000 0.801 387 L CB 0.727 42.846 42.059 0.100 0.000 1.223 387 L HN -0.058 nan 8.230 nan 0.000 0.456 388 D N 0.592 120.959 120.400 -0.054 0.000 2.470 388 D HA 0.008 4.654 4.640 0.009 0.000 0.226 388 D C 1.112 177.232 176.300 -0.300 0.000 1.196 388 D CA -0.109 53.823 54.000 -0.113 0.000 0.979 388 D CB 0.627 41.420 40.800 -0.012 0.000 1.059 388 D HN 0.612 nan 8.370 nan 0.000 0.515 389 T N 0.308 114.482 114.554 -0.634 0.000 3.160 389 T HA 0.005 4.360 4.350 0.009 0.000 0.257 389 T C 1.480 175.817 174.700 -0.605 0.000 1.147 389 T CA 0.285 61.566 62.100 -1.365 0.000 1.064 389 T CB 0.009 68.046 68.868 -1.385 0.000 0.949 389 T HN 0.237 nan 8.240 nan 0.000 0.526 390 R N 0.373 120.716 120.500 -0.262 0.000 2.246 390 R HA 0.229 4.574 4.340 0.009 0.000 0.199 390 R C 0.903 177.225 176.300 0.037 0.000 0.984 390 R CA 0.444 56.493 56.100 -0.085 0.000 1.015 390 R CB 0.228 30.484 30.300 -0.073 0.000 0.930 390 R HN 0.310 nan 8.270 nan 0.000 0.475 391 T N -0.755 113.860 114.554 0.102 0.000 2.886 391 T HA 0.126 4.481 4.350 0.009 0.000 0.292 391 T C 1.130 176.003 174.700 0.287 0.000 1.012 391 T CA -0.619 61.577 62.100 0.161 0.000 0.982 391 T CB 1.695 70.622 68.868 0.098 0.000 1.018 391 T HN 0.232 nan 8.240 nan 0.000 0.451 392 T N 1.039 115.720 114.554 0.211 0.000 2.821 392 T HA -0.107 4.249 4.350 0.009 0.000 0.267 392 T C 2.067 176.821 174.700 0.090 0.000 1.046 392 T CA 1.616 63.802 62.100 0.142 0.000 1.139 392 T CB -0.659 68.246 68.868 0.061 0.000 0.871 392 T HN 0.664 nan 8.240 nan 0.000 0.454 393 S N 2.042 117.794 115.700 0.088 0.000 2.595 393 S HA -0.042 4.433 4.470 0.009 0.000 0.235 393 S C 2.070 176.718 174.600 0.080 0.000 0.974 393 S CA 0.730 58.967 58.200 0.062 0.000 0.942 393 S CB -0.864 62.366 63.200 0.050 0.000 0.766 393 S HN 0.775 nan 8.310 nan 0.000 0.536 394 S N 1.633 117.416 115.700 0.138 0.000 2.496 394 S HA 0.230 4.706 4.470 0.009 0.000 0.224 394 S C 0.976 175.661 174.600 0.141 0.000 0.996 394 S CA 0.191 58.482 58.200 0.153 0.000 0.927 394 S CB -0.930 62.400 63.200 0.217 0.000 0.774 394 S HN 0.608 nan 8.310 nan 0.000 0.524 395 L N 0.957 122.234 121.223 0.090 0.000 3.843 395 L HA -0.173 4.173 4.340 0.009 0.000 0.411 395 L C 1.632 178.517 176.870 0.025 0.000 1.205 395 L CA 0.680 55.515 54.840 -0.008 0.000 0.945 395 L CB -2.469 39.593 42.059 0.004 0.000 1.929 395 L HN 0.735 nan 8.230 nan 0.000 0.934 396 W N -0.001 121.312 121.300 0.021 0.000 2.363 396 W HA -0.153 4.513 4.660 0.009 0.000 0.296 396 W C 1.731 178.270 176.519 0.033 0.000 1.212 396 W CA 1.329 58.690 57.345 0.027 0.000 1.260 396 W CB -0.707 28.765 29.460 0.021 0.000 1.131 396 W HN 0.282 nan 8.180 nan 0.000 0.530 397 K N 1.065 121.062 120.400 -0.672 0.000 2.026 397 K HA -0.163 4.162 4.320 0.009 0.000 0.208 397 K C 1.551 178.020 176.600 -0.218 0.000 1.048 397 K CA 2.367 58.279 56.287 -0.627 0.000 0.929 397 K CB -0.356 31.614 32.500 -0.884 0.000 0.713 397 K HN 0.037 nan 8.250 nan 0.000 0.439 398 D N 0.626 120.919 120.400 -0.179 0.000 2.117 398 D HA -0.132 4.514 4.640 0.009 0.000 0.197 398 D C 1.690 177.987 176.300 -0.005 0.000 0.987 398 D CA 1.255 55.206 54.000 -0.082 0.000 0.829 398 D CB 0.029 40.788 40.800 -0.068 0.000 0.961 398 D HN 0.124 nan 8.370 nan 0.000 0.460 399 K N 0.463 120.887 120.400 0.041 0.000 2.025 399 K HA -0.003 4.322 4.320 0.009 0.000 0.207 399 K C 2.224 178.897 176.600 0.122 0.000 1.049 399 K CA 1.119 57.460 56.287 0.090 0.000 0.933 399 K CB -0.160 32.414 32.500 0.124 0.000 0.714 399 K HN 0.086 nan 8.250 nan 0.000 0.438 400 A N 1.615 124.531 122.820 0.160 0.000 1.902 400 A HA -0.113 4.212 4.320 0.009 0.000 0.217 400 A C 2.395 180.072 177.584 0.156 0.000 1.181 400 A CA 1.816 53.977 52.037 0.206 0.000 0.623 400 A CB -0.726 18.437 19.000 0.273 0.000 0.818 400 A HN 0.332 nan 8.150 nan 0.000 0.443 401 A N -0.524 122.344 122.820 0.080 0.000 1.908 401 A HA -0.048 4.277 4.320 0.009 0.000 0.218 401 A C 2.244 179.847 177.584 0.031 0.000 1.181 401 A CA 1.898 53.955 52.037 0.033 0.000 0.627 401 A CB -0.984 17.997 19.000 -0.033 0.000 0.818 401 A HN 0.394 nan 8.150 nan 0.000 0.445 402 V N 0.312 120.251 119.914 0.041 0.000 2.295 402 V HA -0.218 3.908 4.120 0.009 0.000 0.246 402 V C 2.553 178.683 176.094 0.060 0.000 1.049 402 V CA 2.202 64.530 62.300 0.046 0.000 1.024 402 V CB -0.687 31.169 31.823 0.056 0.000 0.648 402 V HN 0.533 nan 8.190 nan 0.000 0.447 403 E N -0.226 120.036 120.200 0.104 0.000 2.150 403 E HA -0.098 4.257 4.350 0.009 0.000 0.193 403 E C 2.086 178.718 176.600 0.053 0.000 0.985 403 E CA 1.062 57.550 56.400 0.147 0.000 0.814 403 E CB -0.245 29.544 29.700 0.149 0.000 0.752 403 E HN 0.591 nan 8.360 nan 0.000 0.466 404 I N 1.333 121.959 120.570 0.093 0.000 2.286 404 I HA -0.212 3.964 4.170 0.009 0.000 0.245 404 I C 2.127 178.221 176.117 -0.038 0.000 1.104 404 I CA 0.690 62.043 61.300 0.089 0.000 1.397 404 I CB -0.239 37.884 38.000 0.204 0.000 1.072 404 I HN 0.065 nan 8.210 nan 0.000 0.417 405 N N 0.752 119.430 118.700 -0.036 0.000 2.142 405 N HA -0.160 4.586 4.740 0.009 0.000 0.186 405 N C 1.928 177.386 175.510 -0.086 0.000 1.023 405 N CA 1.131 54.141 53.050 -0.068 0.000 0.852 405 N CB -0.105 38.358 38.487 -0.040 0.000 0.998 405 N HN 0.186 nan 8.380 nan 0.000 0.424 406 L N 1.669 122.835 121.223 -0.095 0.000 2.046 406 L HA -0.061 4.284 4.340 0.009 0.000 0.208 406 L C 2.262 178.982 176.870 -0.250 0.000 1.077 406 L CA 1.432 56.176 54.840 -0.160 0.000 0.747 406 L CB -0.829 41.111 42.059 -0.198 0.000 0.896 406 L HN 0.053 nan 8.230 nan 0.000 0.432 407 A N -1.161 121.450 122.820 -0.349 0.000 1.908 407 A HA -0.170 4.155 4.320 0.009 0.000 0.218 407 A C 2.282 179.786 177.584 -0.133 0.000 1.181 407 A CA 2.089 53.880 52.037 -0.409 0.000 0.627 407 A CB -1.150 17.335 19.000 -0.858 0.000 0.818 407 A HN 0.301 nan 8.150 nan 0.000 0.445 408 V N 0.071 119.928 119.914 -0.096 0.000 2.287 408 V HA -0.283 3.843 4.120 0.009 0.000 0.248 408 V C 2.595 178.699 176.094 0.018 0.000 1.053 408 V CA 2.070 64.362 62.300 -0.014 0.000 1.027 408 V CB -0.788 30.946 31.823 -0.149 0.000 0.646 408 V HN 0.574 nan 8.190 nan 0.000 0.447 409 L N -0.607 120.585 121.223 -0.052 0.000 1.994 409 L HA -0.240 4.105 4.340 0.009 0.000 0.208 409 L C 2.626 179.520 176.870 0.040 0.000 1.071 409 L CA 2.306 57.131 54.840 -0.026 0.000 0.745 409 L CB -0.869 41.165 42.059 -0.042 0.000 0.892 409 L HN 0.477 nan 8.230 nan 0.000 0.431 410 H N -0.250 118.770 119.070 -0.084 0.000 2.319 410 H HA -0.168 4.394 4.556 0.010 0.000 0.299 410 H C 2.352 177.663 175.328 -0.028 0.000 1.092 410 H CA 2.100 58.092 56.048 -0.093 0.000 1.302 410 H CB -0.038 29.603 29.762 -0.202 0.000 1.373 410 H HN 0.162 nan 8.280 nan 0.000 0.497 411 S N -0.452 115.212 115.700 -0.060 0.000 2.356 411 S HA -0.136 4.339 4.470 0.009 0.000 0.223 411 S C 2.027 176.591 174.600 -0.059 0.000 1.032 411 S CA 1.367 59.517 58.200 -0.083 0.000 1.005 411 S CB -0.535 62.706 63.200 0.069 0.000 0.867 411 S HN 0.393 nan 8.310 nan 0.000 0.449 412 F N 1.888 121.773 119.950 -0.109 0.000 2.146 412 F HA -0.130 4.402 4.527 0.008 0.000 0.298 412 F C 2.806 178.546 175.800 -0.101 0.000 1.096 412 F CA 1.097 59.055 58.000 -0.071 0.000 1.275 412 F CB -0.329 38.654 39.000 -0.029 0.000 1.008 412 F HN 0.203 nan 8.300 nan 0.000 0.480 413 Q N -0.135 119.695 119.800 0.049 0.000 2.030 413 Q HA -0.248 4.097 4.340 0.009 0.000 0.204 413 Q C 2.227 178.160 176.000 -0.112 0.000 0.986 413 Q CA 1.699 57.479 55.803 -0.039 0.000 0.843 413 Q CB -0.535 28.169 28.738 -0.057 0.000 0.904 413 Q HN 0.359 nan 8.270 nan 0.000 0.420 414 L N 0.467 121.559 121.223 -0.218 0.000 2.042 414 L HA -0.158 4.187 4.340 0.009 0.000 0.210 414 L C 1.981 178.760 176.870 -0.153 0.000 1.076 414 L CA 1.973 56.676 54.840 -0.229 0.000 0.749 414 L CB -0.461 41.376 42.059 -0.371 0.000 0.893 414 L HN 0.150 nan 8.230 nan 0.000 0.432 415 A N -1.583 121.142 122.820 -0.159 0.000 2.238 415 A HA 0.010 4.336 4.320 0.009 0.000 0.208 415 A C 0.683 178.199 177.584 -0.113 0.000 1.177 415 A CA 0.105 52.054 52.037 -0.146 0.000 0.804 415 A CB -0.309 18.564 19.000 -0.212 0.000 0.823 415 A HN 0.392 nan 8.150 nan 0.000 0.482 416 K N -1.094 119.253 120.400 -0.088 0.000 3.150 416 K HA -0.129 4.196 4.320 0.009 0.000 0.267 416 K C -0.570 176.001 176.600 -0.049 0.000 1.028 416 K CA 0.786 57.036 56.287 -0.062 0.000 0.753 416 K CB -2.811 29.653 32.500 -0.059 0.000 1.288 416 K HN 0.306 nan 8.250 nan 0.000 0.473 417 V N 0.834 120.732 119.914 -0.027 0.000 2.513 417 V HA 0.240 4.366 4.120 0.009 0.000 0.299 417 V C 0.849 177.034 176.094 0.151 0.000 1.035 417 V CA -0.775 61.543 62.300 0.031 0.000 0.889 417 V CB 2.101 33.873 31.823 -0.085 0.000 0.988 417 V HN 0.311 nan 8.190 nan 0.000 0.440 418 T N 6.054 120.663 114.554 0.092 0.000 2.934 418 T HA 0.457 4.812 4.350 0.009 0.000 0.306 418 T C -0.245 174.525 174.700 0.117 0.000 1.042 418 T CA 0.785 62.865 62.100 -0.034 0.000 1.145 418 T CB 0.105 68.825 68.868 -0.246 0.000 0.982 418 T HN 0.590 nan 8.240 nan 0.000 0.544 419 I N 2.018 122.574 120.570 -0.024 0.000 2.793 419 I HA 0.527 4.702 4.170 0.009 0.000 0.295 419 I C -1.775 174.345 176.117 0.005 0.000 1.610 419 I CA -0.856 60.465 61.300 0.034 0.000 0.986 419 I CB 1.716 39.655 38.000 -0.101 0.000 1.402 419 I HN 0.464 nan 8.210 nan 0.000 0.500 420 V N 5.370 125.342 119.914 0.096 0.000 2.638 420 V HA 0.480 4.605 4.120 0.009 0.000 0.306 420 V C -1.082 175.044 176.094 0.054 0.000 1.052 420 V CA -0.256 62.101 62.300 0.095 0.000 0.885 420 V CB 2.203 34.163 31.823 0.229 0.000 0.999 420 V HN 0.874 nan 8.190 nan 0.000 0.424 421 D N 4.129 124.533 120.400 0.006 0.000 2.360 421 D HA 0.142 4.787 4.640 0.009 0.000 0.242 421 D C 1.307 177.568 176.300 -0.066 0.000 1.184 421 D CA 0.264 54.236 54.000 -0.047 0.000 0.930 421 D CB 0.400 41.134 40.800 -0.110 0.000 1.161 421 D HN 0.746 nan 8.370 nan 0.000 0.447 422 H N -0.387 118.602 119.070 -0.136 0.000 2.491 422 H HA -0.124 4.438 4.556 0.009 0.000 0.290 422 H C 0.916 176.144 175.328 -0.166 0.000 1.050 422 H CA 1.150 57.090 56.048 -0.179 0.000 1.309 422 H CB -0.449 29.151 29.762 -0.270 0.000 1.392 422 H HN 0.504 nan 8.280 nan 0.000 0.554 423 H N 1.272 120.145 119.070 -0.330 0.000 2.307 423 H HA 0.146 4.707 4.556 0.009 0.000 0.303 423 H C 2.566 177.874 175.328 -0.033 0.000 1.073 423 H CA 1.364 57.319 56.048 -0.155 0.000 1.338 423 H CB -0.361 29.274 29.762 -0.212 0.000 1.389 423 H HN 0.491 nan 8.280 nan 0.000 0.503 424 A N 1.475 124.347 122.820 0.087 0.000 1.877 424 A HA -0.124 4.201 4.320 0.009 0.000 0.216 424 A C 2.703 180.358 177.584 0.118 0.000 1.186 424 A CA 1.978 54.070 52.037 0.091 0.000 0.620 424 A CB -0.938 18.103 19.000 0.069 0.000 0.822 424 A HN 0.438 nan 8.150 nan 0.000 0.443 425 A N -0.196 122.692 122.820 0.114 0.000 1.883 425 A HA -0.163 4.162 4.320 0.009 0.000 0.217 425 A C 2.478 180.164 177.584 0.170 0.000 1.186 425 A CA 2.886 55.011 52.037 0.147 0.000 0.624 425 A CB -1.547 17.526 19.000 0.121 0.000 0.822 425 A HN 0.800 nan 8.150 nan 0.000 0.444 426 T N -2.685 111.954 114.554 0.142 0.000 2.821 426 T HA -0.079 4.276 4.350 0.009 0.000 0.267 426 T C 1.693 176.531 174.700 0.230 0.000 1.046 426 T CA 1.373 63.583 62.100 0.184 0.000 1.139 426 T CB -0.770 68.177 68.868 0.132 0.000 0.871 426 T HN 0.059 nan 8.240 nan 0.000 0.454 427 V N 2.818 122.840 119.914 0.180 0.000 2.343 427 V HA -0.175 3.950 4.120 0.009 0.000 0.247 427 V C 3.212 179.402 176.094 0.160 0.000 1.051 427 V CA 2.134 64.529 62.300 0.158 0.000 1.036 427 V CB -0.935 30.961 31.823 0.121 0.000 0.654 427 V HN 0.809 nan 8.190 nan 0.000 0.451 428 S N -0.363 115.440 115.700 0.173 0.000 2.423 428 S HA -0.202 4.273 4.470 0.009 0.000 0.231 428 S C 1.935 176.660 174.600 0.209 0.000 1.014 428 S CA 1.427 59.729 58.200 0.169 0.000 0.965 428 S CB -0.694 62.611 63.200 0.175 0.000 0.785 428 S HN 0.532 nan 8.310 nan 0.000 0.495 429 F N 1.940 121.960 119.950 0.115 0.000 2.325 429 F HA 0.167 4.699 4.527 0.008 0.000 0.299 429 F C 2.147 178.041 175.800 0.157 0.000 1.090 429 F CA 0.936 59.018 58.000 0.137 0.000 1.392 429 F CB -0.280 38.778 39.000 0.097 0.000 1.053 429 F HN 0.108 nan 8.300 nan 0.000 0.521 430 M N 0.062 119.732 119.600 0.116 0.000 2.132 430 M HA -0.143 4.342 4.480 0.009 0.000 0.263 430 M C 2.207 178.484 176.300 -0.039 0.000 1.065 430 M CA 1.402 56.719 55.300 0.029 0.000 1.122 430 M CB -1.166 31.501 32.600 0.112 0.000 1.365 430 M HN 0.052 nan 8.290 nan 0.000 0.411 431 K N -0.205 120.204 120.400 0.014 0.000 2.057 431 K HA -0.202 4.123 4.320 0.009 0.000 0.207 431 K C 1.982 178.560 176.600 -0.036 0.000 1.049 431 K CA 1.765 58.055 56.287 0.005 0.000 0.931 431 K CB -0.698 31.830 32.500 0.046 0.000 0.714 431 K HN 0.364 nan 8.250 nan 0.000 0.440 432 H N 0.186 119.172 119.070 -0.139 0.000 2.319 432 H HA -0.064 4.497 4.556 0.009 0.000 0.297 432 H C 1.724 176.895 175.328 -0.262 0.000 1.097 432 H CA 2.349 58.285 56.048 -0.186 0.000 1.285 432 H CB -0.271 29.339 29.762 -0.253 0.000 1.368 432 H HN 0.177 nan 8.280 nan 0.000 0.495 433 L N -0.296 120.643 121.223 -0.474 0.000 2.042 433 L HA -0.190 4.155 4.340 0.009 0.000 0.210 433 L C 2.345 179.062 176.870 -0.255 0.000 1.076 433 L CA 1.885 56.477 54.840 -0.413 0.000 0.749 433 L CB -0.520 41.358 42.059 -0.302 0.000 0.893 433 L HN 0.404 nan 8.230 nan 0.000 0.432 434 D N -0.115 120.183 120.400 -0.171 0.000 2.097 434 D HA -0.184 4.461 4.640 0.009 0.000 0.195 434 D C 1.925 178.156 176.300 -0.116 0.000 0.989 434 D CA 1.205 55.142 54.000 -0.106 0.000 0.827 434 D CB 0.099 40.863 40.800 -0.059 0.000 0.966 434 D HN 0.166 nan 8.370 nan 0.000 0.456 435 N N 0.515 119.133 118.700 -0.137 0.000 2.069 435 N HA -0.134 4.611 4.740 0.009 0.000 0.191 435 N C 1.607 177.030 175.510 -0.144 0.000 1.031 435 N CA 0.882 53.868 53.050 -0.107 0.000 0.852 435 N CB -0.302 38.145 38.487 -0.067 0.000 1.018 435 N HN 0.340 nan 8.380 nan 0.000 0.423 436 E N 0.610 120.642 120.200 -0.280 0.000 2.208 436 E HA -0.138 4.217 4.350 0.009 0.000 0.193 436 E C 1.858 178.360 176.600 -0.163 0.000 0.988 436 E CA 0.465 56.704 56.400 -0.269 0.000 0.828 436 E CB -0.070 29.359 29.700 -0.451 0.000 0.763 436 E HN 0.317 nan 8.360 nan 0.000 0.478 437 Q N 1.612 121.327 119.800 -0.143 0.000 2.050 437 Q HA -0.139 4.207 4.340 0.009 0.000 0.202 437 Q C 1.767 177.724 176.000 -0.072 0.000 0.980 437 Q CA 1.763 57.513 55.803 -0.089 0.000 0.840 437 Q CB 0.018 28.714 28.738 -0.070 0.000 0.898 437 Q HN 0.141 nan 8.270 nan 0.000 0.424 438 K N -0.783 119.576 120.400 -0.068 0.000 2.062 438 K HA 0.031 4.357 4.320 0.009 0.000 0.205 438 K C 2.049 178.622 176.600 -0.046 0.000 1.051 438 K CA 1.037 57.294 56.287 -0.049 0.000 0.941 438 K CB -0.197 32.280 32.500 -0.039 0.000 0.719 438 K HN 0.230 nan 8.250 nan 0.000 0.440 439 A N 1.309 124.101 122.820 -0.048 0.000 1.929 439 A HA -0.064 4.261 4.320 0.009 0.000 0.216 439 A C 1.806 179.365 177.584 -0.042 0.000 1.176 439 A CA 1.152 53.171 52.037 -0.030 0.000 0.628 439 A CB -0.021 18.977 19.000 -0.003 0.000 0.816 439 A HN 0.166 nan 8.150 nan 0.000 0.444 440 R N -2.676 117.785 120.500 -0.064 0.000 2.531 440 R HA 0.258 4.604 4.340 0.009 0.000 0.316 440 R C 0.784 177.044 176.300 -0.067 0.000 0.955 440 R CA 0.514 56.577 56.100 -0.061 0.000 1.120 440 R CB 0.697 30.956 30.300 -0.068 0.000 1.361 440 R HN 0.686 nan 8.270 nan 0.000 0.534 441 G N 1.039 109.795 108.800 -0.074 0.000 2.182 441 G HA2 -0.156 3.810 3.960 0.009 0.000 0.248 441 G HA3 -0.156 3.810 3.960 0.009 0.000 0.248 441 G C 0.203 175.068 174.900 -0.059 0.000 1.042 441 G CA 0.089 45.138 45.100 -0.085 0.000 0.775 441 G HN 0.728 nan 8.290 nan 0.000 0.501 442 G N -2.414 106.364 108.800 -0.036 0.000 2.356 442 G HA2 0.534 4.499 3.960 0.009 0.000 0.300 442 G HA3 0.534 4.499 3.960 0.009 0.000 0.300 442 G C -0.716 174.198 174.900 0.023 0.000 1.331 442 G CA 0.455 45.569 45.100 0.024 0.000 0.905 442 G HN 2.039 nan 8.290 nan 0.000 0.587 443 C N 1.995 121.345 119.300 0.083 0.000 2.833 443 C HA 0.680 5.146 4.460 0.009 0.000 0.383 443 C C -2.563 172.422 174.990 -0.008 0.000 1.058 443 C CA -1.062 57.962 59.018 0.010 0.000 1.259 443 C CB 1.165 28.855 27.740 -0.084 0.000 1.726 443 C HN 0.739 nan 8.230 nan 0.000 0.484 444 P HA 0.392 nan 4.420 nan 0.000 0.267 444 P C -0.611 176.578 177.300 -0.185 0.000 1.209 444 P CA 0.640 63.345 63.100 -0.658 0.000 0.763 444 P CB 1.025 32.029 31.700 -1.159 0.000 0.816 445 A N 2.712 125.500 122.820 -0.055 0.000 2.488 445 A HA 0.378 4.704 4.320 0.009 0.000 0.298 445 A C -0.957 176.682 177.584 0.091 0.000 1.044 445 A CA -0.584 51.507 52.037 0.089 0.000 0.693 445 A CB 1.275 20.449 19.000 0.289 0.000 1.272 445 A HN 0.452 nan 8.150 nan 0.000 0.402 446 D N 2.144 122.585 120.400 0.067 0.000 2.456 446 D HA 0.102 4.748 4.640 0.009 0.000 0.219 446 D C 0.844 177.273 176.300 0.215 0.000 1.126 446 D CA -0.446 53.625 54.000 0.119 0.000 0.890 446 D CB 0.262 41.076 40.800 0.023 0.000 1.025 446 D HN 0.609 nan 8.370 nan 0.000 0.511 447 W N 4.175 125.511 121.300 0.060 0.000 2.304 447 W HA -0.327 4.339 4.660 0.009 0.000 0.315 447 W C 2.000 178.548 176.519 0.048 0.000 1.233 447 W CA 2.430 59.795 57.345 0.034 0.000 1.261 447 W CB 0.001 29.456 29.460 -0.009 0.000 1.150 447 W HN 0.558 nan 8.180 nan 0.000 0.494 448 A N -1.519 121.583 122.820 0.470 0.000 2.070 448 A HA -0.195 4.131 4.320 0.009 0.000 0.220 448 A C 1.426 179.082 177.584 0.119 0.000 1.159 448 A CA 1.597 53.828 52.037 0.324 0.000 0.656 448 A CB -1.181 18.036 19.000 0.361 0.000 0.800 448 A HN 0.543 nan 8.150 nan 0.000 0.453 449 W N -1.112 120.160 121.300 -0.046 0.000 2.762 449 W HA 0.232 4.897 4.660 0.008 0.000 0.265 449 W C 1.803 178.212 176.519 -0.184 0.000 1.263 449 W CA -0.161 57.133 57.345 -0.085 0.000 1.411 449 W CB 0.058 29.495 29.460 -0.039 0.000 1.065 449 W HN 0.130 nan 8.180 nan 0.000 0.609 450 I N -0.245 120.285 120.570 -0.067 0.000 2.333 450 I HA -0.055 4.121 4.170 0.009 0.000 0.246 450 I C 0.677 176.587 176.117 -0.344 0.000 1.106 450 I CA 0.757 61.887 61.300 -0.283 0.000 1.411 450 I CB -1.406 36.357 38.000 -0.394 0.000 1.082 450 I HN -0.432 nan 8.210 nan 0.000 0.420 451 V N 3.991 123.610 119.914 -0.491 0.000 2.529 451 V HA 0.057 4.182 4.120 0.009 0.000 0.292 451 V C -1.898 174.010 176.094 -0.309 0.000 1.028 451 V CA -0.967 61.032 62.300 -0.501 0.000 1.074 451 V CB 0.046 31.320 31.823 -0.913 0.000 0.958 451 V HN 0.132 nan 8.190 nan 0.000 0.481 452 P HA 0.110 nan 4.420 nan 0.000 0.268 452 P C -1.797 175.362 177.300 -0.236 0.000 1.208 452 P CA -1.053 61.911 63.100 -0.226 0.000 0.777 452 P CB 0.033 31.593 31.700 -0.234 0.000 0.875 453 P HA -0.013 nan 4.420 nan 0.000 0.230 453 P C 0.209 177.384 177.300 -0.208 0.000 1.158 453 P CA 1.180 64.151 63.100 -0.215 0.000 0.769 453 P CB 0.022 31.592 31.700 -0.218 0.000 0.807 454 I N -6.818 113.582 120.570 -0.283 0.000 2.828 454 I HA 0.479 4.654 4.170 0.009 0.000 0.302 454 I C 0.020 175.975 176.117 -0.269 0.000 1.101 454 I CA -1.219 59.926 61.300 -0.259 0.000 1.031 454 I CB 2.001 39.831 38.000 -0.284 0.000 1.231 454 I HN -0.401 nan 8.210 nan 0.000 0.427 455 S N 2.007 117.619 115.700 -0.146 0.000 3.521 455 S HA -0.203 4.272 4.470 0.009 0.000 0.328 455 S C 1.404 175.963 174.600 -0.068 0.000 1.165 455 S CA 0.872 59.035 58.200 -0.062 0.000 0.941 455 S CB -1.800 61.429 63.200 0.048 0.000 0.951 455 S HN 1.306 nan 8.310 nan 0.000 0.539 456 G N 2.289 111.025 108.800 -0.107 0.000 2.681 456 G HA2 -0.358 3.608 3.960 0.009 0.000 0.220 456 G HA3 -0.358 3.608 3.960 0.009 0.000 0.220 456 G C 1.405 176.191 174.900 -0.190 0.000 1.210 456 G CA 1.697 46.753 45.100 -0.073 0.000 0.783 456 G HN 1.365 nan 8.290 nan 0.000 0.609 457 S N 0.227 115.540 115.700 -0.645 0.000 2.607 457 S HA 0.228 4.704 4.470 0.009 0.000 0.224 457 S C 2.011 176.553 174.600 -0.095 0.000 0.969 457 S CA 0.445 58.126 58.200 -0.865 0.000 0.927 457 S CB -0.101 62.382 63.200 -1.196 0.000 0.772 457 S HN 0.330 nan 8.310 nan 0.000 0.533 458 L N 1.884 123.102 121.223 -0.010 0.000 2.509 458 L HA 0.136 4.481 4.340 0.009 0.000 0.222 458 L C 1.325 178.331 176.870 0.227 0.000 1.123 458 L CA 0.506 55.425 54.840 0.131 0.000 0.856 458 L CB -0.820 41.344 42.059 0.175 0.000 0.985 458 L HN 0.483 nan 8.230 nan 0.000 0.456 459 T N -4.021 110.659 114.554 0.210 0.000 2.943 459 T HA 0.289 4.645 4.350 0.009 0.000 0.284 459 T C -1.586 173.281 174.700 0.279 0.000 1.015 459 T CA -1.948 60.297 62.100 0.243 0.000 1.042 459 T CB 1.830 70.799 68.868 0.168 0.000 1.055 459 T HN -0.183 nan 8.240 nan 0.000 0.500 460 P HA -0.086 nan 4.420 nan 0.000 0.218 460 P C 1.807 179.297 177.300 0.317 0.000 1.149 460 P CA 1.123 64.416 63.100 0.323 0.000 0.817 460 P CB -0.354 31.487 31.700 0.235 0.000 0.785 461 V N -3.837 116.213 119.914 0.227 0.000 2.594 461 V HA -0.191 3.935 4.120 0.009 0.000 0.253 461 V C 2.379 178.539 176.094 0.110 0.000 1.069 461 V CA 1.147 63.552 62.300 0.174 0.000 1.082 461 V CB -2.241 29.625 31.823 0.071 0.000 0.680 461 V HN -0.121 nan 8.190 nan 0.000 0.469 462 F N 1.938 121.818 119.950 -0.116 0.000 2.126 462 F HA -0.180 4.352 4.527 0.009 0.000 0.299 462 F C 2.519 178.364 175.800 0.075 0.000 1.096 462 F CA 2.301 60.222 58.000 -0.133 0.000 1.255 462 F CB -0.269 38.522 39.000 -0.349 0.000 0.997 462 F HN 0.278 nan 8.300 nan 0.000 0.479 463 H N -0.836 118.575 119.070 0.568 0.000 2.543 463 H HA 0.075 4.636 4.556 0.009 0.000 0.269 463 H C 0.268 175.843 175.328 0.412 0.000 1.005 463 H CA 0.324 56.650 56.048 0.463 0.000 1.146 463 H CB -0.384 29.623 29.762 0.408 0.000 1.353 463 H HN 0.269 nan 8.280 nan 0.000 0.595 464 Q N 1.946 122.006 119.800 0.433 0.000 2.347 464 Q HA 0.166 4.511 4.340 0.009 0.000 0.262 464 Q C -0.563 175.668 176.000 0.385 0.000 0.980 464 Q CA -0.444 55.582 55.803 0.373 0.000 0.867 464 Q CB 0.816 29.742 28.738 0.314 0.000 1.242 464 Q HN 0.237 nan 8.270 nan 0.000 0.453 465 E N 3.410 123.793 120.200 0.304 0.000 2.390 465 E HA 0.292 4.647 4.350 0.009 0.000 0.261 465 E C -0.451 176.286 176.600 0.228 0.000 1.076 465 E CA 0.248 56.777 56.400 0.215 0.000 0.905 465 E CB 0.841 30.651 29.700 0.185 0.000 0.984 465 E HN 0.605 nan 8.360 nan 0.000 0.427 466 M N 1.101 120.829 119.600 0.214 0.000 2.531 466 M HA 0.392 4.877 4.480 0.009 0.000 0.286 466 M C -1.259 175.152 176.300 0.185 0.000 1.232 466 M CA -0.990 54.449 55.300 0.231 0.000 0.877 466 M CB 2.436 35.226 32.600 0.316 0.000 1.726 466 M HN 0.144 nan 8.290 nan 0.000 0.463 467 V N 1.307 121.345 119.914 0.206 0.000 2.495 467 V HA 0.443 4.568 4.120 0.009 0.000 0.298 467 V C -0.775 175.468 176.094 0.248 0.000 1.031 467 V CA -0.719 61.732 62.300 0.253 0.000 0.871 467 V CB 1.719 33.738 31.823 0.327 0.000 0.988 467 V HN 0.885 nan 8.190 nan 0.000 0.432 468 N N 3.349 122.178 118.700 0.215 0.000 2.372 468 N HA 0.731 5.476 4.740 0.009 0.000 0.291 468 N C -1.680 173.943 175.510 0.189 0.000 1.024 468 N CA -0.436 52.651 53.050 0.062 0.000 0.873 468 N CB 1.771 40.292 38.487 0.056 0.000 1.206 468 N HN 0.749 nan 8.380 nan 0.000 0.486 469 Y N 0.604 120.920 120.300 0.026 0.000 2.677 469 Y HA 0.460 5.015 4.550 0.009 0.000 0.334 469 Y C -1.417 174.482 175.900 -0.001 0.000 1.196 469 Y CA -1.197 56.912 58.100 0.016 0.000 1.059 469 Y CB 0.648 39.124 38.460 0.026 0.000 1.315 469 Y HN 0.174 nan 8.280 nan 0.000 0.455 470 I N 3.579 124.233 120.570 0.140 0.000 2.325 470 I HA 0.393 4.568 4.170 0.009 0.000 0.291 470 I C -0.669 175.504 176.117 0.093 0.000 1.019 470 I CA -0.349 60.979 61.300 0.046 0.000 1.302 470 I CB 0.828 38.844 38.000 0.026 0.000 1.401 470 I HN 0.418 nan 8.210 nan 0.000 0.485 471 L N 5.215 126.457 121.223 0.032 0.000 2.342 471 L HA 0.567 4.912 4.340 0.009 0.000 0.271 471 L C -0.047 176.815 176.870 -0.014 0.000 1.008 471 L CA -0.498 54.370 54.840 0.047 0.000 0.818 471 L CB 2.084 44.173 42.059 0.050 0.000 1.296 471 L HN 0.531 nan 8.230 nan 0.000 0.427 472 S N 1.950 117.653 115.700 0.005 0.000 2.536 472 S HA 0.641 5.117 4.470 0.009 0.000 0.298 472 S C -2.580 172.024 174.600 0.007 0.000 1.083 472 S CA -1.476 56.710 58.200 -0.024 0.000 0.995 472 S CB 1.852 65.053 63.200 0.001 0.000 1.058 472 S HN 0.237 nan 8.310 nan 0.000 0.488 473 P HA 0.327 nan 4.420 nan 0.000 0.267 473 P C -1.280 175.881 177.300 -0.233 0.000 1.201 473 P CA 0.118 63.107 63.100 -0.185 0.000 0.775 473 P CB 0.452 31.988 31.700 -0.274 0.000 0.854 474 A N 1.880 124.527 122.820 -0.288 0.000 2.606 474 A HA 0.687 5.013 4.320 0.009 0.000 0.293 474 A C -1.601 175.759 177.584 -0.374 0.000 1.082 474 A CA -0.526 51.338 52.037 -0.287 0.000 0.685 474 A CB 0.885 19.794 19.000 -0.151 0.000 1.284 474 A HN 0.353 nan 8.150 nan 0.000 0.408 475 F N 1.150 121.004 119.950 -0.161 0.000 2.404 475 F HA 0.587 5.119 4.527 0.008 0.000 0.354 475 F C 0.896 176.579 175.800 -0.195 0.000 1.122 475 F CA -0.001 57.904 58.000 -0.158 0.000 1.080 475 F CB 1.640 40.498 39.000 -0.238 0.000 1.131 475 F HN 0.519 nan 8.300 nan 0.000 0.471 476 R N 2.240 122.758 120.500 0.031 0.000 2.803 476 R HA 0.469 4.814 4.340 0.009 0.000 0.276 476 R C -1.440 174.846 176.300 -0.023 0.000 0.978 476 R CA -1.176 54.874 56.100 -0.082 0.000 0.939 476 R CB 1.664 31.945 30.300 -0.032 0.000 1.179 476 R HN 0.393 nan 8.270 nan 0.000 0.472 477 Y N 1.395 121.713 120.300 0.029 0.000 2.326 477 Y HA 0.131 4.687 4.550 0.009 0.000 0.333 477 Y C 0.651 176.547 175.900 -0.007 0.000 1.240 477 Y CA -0.185 57.923 58.100 0.013 0.000 1.365 477 Y CB 0.791 39.246 38.460 -0.008 0.000 1.289 477 Y HN 0.462 nan 8.280 nan 0.000 0.548 478 Q N 1.473 121.361 119.800 0.146 0.000 2.456 478 Q HA 0.653 4.998 4.340 0.009 0.000 0.283 478 Q C -3.104 172.856 176.000 -0.066 0.000 1.084 478 Q CA -2.528 53.292 55.803 0.028 0.000 0.801 478 Q CB 2.055 30.802 28.738 0.015 0.000 1.434 478 Q HN 0.268 nan 8.270 nan 0.000 0.419 479 P HA 0.035 nan 4.420 nan 0.000 0.268 479 P C -0.918 176.157 177.300 -0.374 0.000 1.208 479 P CA 0.028 62.995 63.100 -0.223 0.000 0.777 479 P CB 0.399 31.984 31.700 -0.192 0.000 0.875 480 D N 3.229 123.267 120.400 -0.604 0.000 2.414 480 D HA 0.006 4.651 4.640 0.009 0.000 0.242 480 D C -0.996 174.685 176.300 -1.031 0.000 1.129 480 D CA -0.989 52.357 54.000 -1.090 0.000 0.885 480 D CB 0.407 40.039 40.800 -1.946 0.000 1.198 480 D HN 0.288 nan 8.370 nan 0.000 0.437 481 P HA -0.121 nan 4.420 nan 0.000 0.219 481 P C 0.456 177.389 177.300 -0.612 0.000 1.146 481 P CA 1.054 63.714 63.100 -0.734 0.000 0.808 481 P CB 0.095 31.256 31.700 -0.899 0.000 0.779 482 W N 0.000 120.872 121.300 -0.713 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.118 57.345 -0.378 0.000 1.226 482 W CB 0.000 29.264 29.460 -0.327 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535