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 1d1y_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 67 G C 0.000 174.835 174.900 -0.108 0.000 0.946 67 G CA 0.000 45.062 45.100 -0.064 0.000 0.502 68 P HA 0.306 nan 4.420 nan 0.000 0.266 68 P C -0.349 176.944 177.300 -0.011 0.000 1.195 68 P CA 0.083 63.077 63.100 -0.176 0.000 0.768 68 P CB 0.542 31.902 31.700 -0.567 0.000 0.838 69 K N 2.474 122.843 120.400 -0.052 0.000 3.173 69 K HA 0.255 4.581 4.320 0.010 0.000 0.255 69 K C -0.617 175.683 176.600 -0.500 0.000 1.235 69 K CA -0.030 56.110 56.287 -0.245 0.000 1.250 69 K CB -0.305 31.997 32.500 -0.330 0.000 1.382 69 K HN 0.370 nan 8.250 nan 0.000 0.421 70 F N 0.012 119.998 119.950 0.060 0.000 2.620 70 F HA 0.347 4.881 4.527 0.010 0.000 0.320 70 F C -2.228 173.673 175.800 0.168 0.000 1.069 70 F CA -3.082 54.970 58.000 0.087 0.000 0.953 70 F CB 0.734 39.787 39.000 0.088 0.000 1.322 70 F HN -0.084 nan 8.300 nan 0.000 0.479 71 P HA 0.038 nan 4.420 nan 0.000 0.264 71 P C -0.826 176.550 177.300 0.127 0.000 1.183 71 P CA -0.048 63.154 63.100 0.169 0.000 0.763 71 P CB 0.455 32.226 31.700 0.118 0.000 0.807 72 R N 3.135 123.639 120.500 0.007 0.000 2.207 72 R HA 0.389 4.735 4.340 0.010 0.000 0.334 72 R C -1.209 174.967 176.300 -0.205 0.000 1.013 72 R CA -0.556 55.358 56.100 -0.309 0.000 0.858 72 R CB 0.448 30.615 30.300 -0.221 0.000 1.094 72 R HN 0.225 nan 8.270 nan 0.000 0.457 73 V N 5.072 124.832 119.914 -0.256 0.000 2.398 73 V HA 0.372 4.498 4.120 0.010 0.000 0.286 73 V C -0.169 175.837 176.094 -0.148 0.000 1.026 73 V CA -0.690 61.541 62.300 -0.115 0.000 0.868 73 V CB 1.427 33.224 31.823 -0.045 0.000 0.982 73 V HN 0.715 nan 8.190 nan 0.000 0.443 74 K N 3.737 124.079 120.400 -0.096 0.000 2.318 74 K HA 0.442 4.768 4.320 0.010 0.000 0.249 74 K C -0.754 175.786 176.600 -0.101 0.000 0.942 74 K CA -0.725 55.440 56.287 -0.202 0.000 0.808 74 K CB 1.687 33.923 32.500 -0.439 0.000 1.189 74 K HN 0.703 nan 8.250 nan 0.000 0.428 75 N N 4.185 122.809 118.700 -0.126 0.000 2.511 75 N HA 0.111 4.857 4.740 0.010 0.000 0.249 75 N C -0.401 175.101 175.510 -0.014 0.000 0.971 75 N CA -0.406 52.677 53.050 0.055 0.000 0.938 75 N CB 0.461 38.991 38.487 0.073 0.000 1.131 75 N HN 0.679 nan 8.380 nan 0.000 0.505 76 W N 2.103 123.480 121.300 0.128 0.000 2.825 76 W HA 0.095 4.761 4.660 0.010 0.000 0.243 76 W C 2.000 178.558 176.519 0.065 0.000 1.293 76 W CA -0.076 57.331 57.345 0.104 0.000 1.403 76 W CB 0.212 29.756 29.460 0.140 0.000 1.134 76 W HN 0.648 nan 8.180 nan 0.000 0.666 77 E N 0.467 120.798 120.200 0.218 0.000 2.042 77 E HA -0.096 4.260 4.350 0.010 0.000 0.189 77 E C 1.722 178.345 176.600 0.038 0.000 0.974 77 E CA 0.950 57.383 56.400 0.054 0.000 0.806 77 E CB -0.276 29.437 29.700 0.022 0.000 0.769 77 E HN 0.225 nan 8.360 nan 0.000 0.451 78 L N -0.501 120.745 121.223 0.039 0.000 2.592 78 L HA 0.278 4.624 4.340 0.010 0.000 0.227 78 L C 1.487 178.341 176.870 -0.027 0.000 1.127 78 L CA 0.403 55.248 54.840 0.008 0.000 0.884 78 L CB 0.377 42.445 42.059 0.016 0.000 1.065 78 L HN 0.450 nan 8.230 nan 0.000 0.457 79 G N 0.483 109.246 108.800 -0.062 0.000 2.189 79 G HA2 -0.336 3.630 3.960 0.010 0.000 0.267 79 G HA3 -0.336 3.630 3.960 0.010 0.000 0.267 79 G C 0.464 175.276 174.900 -0.147 0.000 0.975 79 G CA 0.549 45.567 45.100 -0.136 0.000 0.644 79 G HN 0.497 nan 8.290 nan 0.000 0.537 80 S N 0.007 115.645 115.700 -0.104 0.000 2.585 80 S HA 0.740 5.216 4.470 0.010 0.000 0.273 80 S C 0.199 174.719 174.600 -0.133 0.000 1.339 80 S CA -0.530 57.616 58.200 -0.091 0.000 1.028 80 S CB 1.971 65.141 63.200 -0.049 0.000 0.906 80 S HN 0.412 nan 8.310 nan 0.000 0.528 81 I N 1.797 122.294 120.570 -0.121 0.000 2.646 81 I HA 0.616 4.792 4.170 0.010 0.000 0.299 81 I C 0.295 176.319 176.117 -0.155 0.000 1.036 81 I CA -0.207 60.989 61.300 -0.174 0.000 1.074 81 I CB 1.844 39.738 38.000 -0.176 0.000 1.258 81 I HN 1.088 nan 8.210 nan 0.000 0.430 82 T N 1.389 115.792 114.554 -0.253 0.000 2.843 82 T HA 0.670 5.026 4.350 0.010 0.000 0.302 82 T C -1.476 172.997 174.700 -0.378 0.000 1.232 82 T CA -0.701 61.294 62.100 -0.174 0.000 1.009 82 T CB 1.875 70.698 68.868 -0.074 0.000 1.254 82 T HN 0.252 nan 8.240 nan 0.000 0.504 83 Y N 0.457 120.742 120.300 -0.025 0.000 2.326 83 Y HA 0.428 4.984 4.550 0.010 0.000 0.329 83 Y C -0.079 175.785 175.900 -0.060 0.000 0.973 83 Y CA -0.991 57.102 58.100 -0.011 0.000 1.162 83 Y CB 1.562 40.017 38.460 -0.008 0.000 1.147 83 Y HN 0.736 nan 8.280 nan 0.000 0.456 84 D N 2.342 122.797 120.400 0.091 0.000 2.338 84 D HA 0.034 4.680 4.640 0.010 0.000 0.255 84 D C 0.856 177.149 176.300 -0.013 0.000 1.237 84 D CA 0.331 54.356 54.000 0.041 0.000 0.883 84 D CB 1.199 42.056 40.800 0.095 0.000 1.087 84 D HN 0.770 nan 8.370 nan 0.000 0.485 85 T N 1.114 115.551 114.554 -0.194 0.000 3.023 85 T HA -0.034 4.322 4.350 0.010 0.000 0.253 85 T C 1.760 176.371 174.700 -0.150 0.000 1.038 85 T CA -0.282 61.570 62.100 -0.413 0.000 0.962 85 T CB 0.065 68.412 68.868 -0.868 0.000 1.018 85 T HN 0.257 nan 8.240 nan 0.000 0.521 86 L N 2.311 123.472 121.223 -0.102 0.000 2.201 86 L HA 0.114 4.460 4.340 0.010 0.000 0.212 86 L C 2.551 179.322 176.870 -0.164 0.000 1.105 86 L CA 1.155 55.962 54.840 -0.054 0.000 0.775 86 L CB -0.905 41.182 42.059 0.048 0.000 0.913 86 L HN 0.646 nan 8.230 nan 0.000 0.440 87 C N -1.492 117.550 119.300 -0.430 0.000 2.419 87 C HA 0.073 4.539 4.460 0.010 0.000 0.283 87 C C 2.754 177.529 174.990 -0.359 0.000 1.373 87 C CA 0.179 58.641 59.018 -0.928 0.000 1.781 87 C CB -2.264 24.916 27.740 -0.935 0.000 1.886 87 C HN 0.581 nan 8.230 nan 0.000 0.520 88 A N 0.169 122.925 122.820 -0.107 0.000 2.119 88 A HA -0.064 4.262 4.320 0.010 0.000 0.217 88 A C 2.330 179.908 177.584 -0.010 0.000 1.153 88 A CA 1.158 53.193 52.037 -0.003 0.000 0.692 88 A CB -0.441 18.640 19.000 0.136 0.000 0.799 88 A HN 0.707 nan 8.150 nan 0.000 0.458 89 Q N 0.121 119.908 119.800 -0.022 0.000 2.378 89 Q HA 0.004 4.350 4.340 0.010 0.000 0.205 89 Q C 0.942 176.964 176.000 0.037 0.000 0.954 89 Q CA 0.551 56.365 55.803 0.019 0.000 0.901 89 Q CB -0.381 28.378 28.738 0.034 0.000 0.981 89 Q HN 0.537 nan 8.270 nan 0.000 0.483 90 S N 1.154 116.866 115.700 0.019 0.000 2.515 90 S HA -0.027 4.450 4.470 0.010 0.000 0.285 90 S C 0.966 175.597 174.600 0.051 0.000 1.265 90 S CA 0.021 58.264 58.200 0.073 0.000 1.079 90 S CB 0.497 63.749 63.200 0.087 0.000 0.877 90 S HN 0.191 nan 8.310 nan 0.000 0.493 91 Q N 2.616 122.451 119.800 0.059 0.000 2.384 91 Q HA 0.113 4.459 4.340 0.010 0.000 0.207 91 Q C 0.405 176.431 176.000 0.043 0.000 0.904 91 Q CA 0.190 56.021 55.803 0.046 0.000 0.933 91 Q CB 0.433 29.201 28.738 0.050 0.000 1.077 91 Q HN 0.839 nan 8.270 nan 0.000 0.522 92 Q N 1.336 121.166 119.800 0.050 0.000 2.333 92 Q HA 0.173 4.519 4.340 0.010 0.000 0.267 92 Q C -1.068 174.962 176.000 0.050 0.000 1.012 92 Q CA -0.546 55.283 55.803 0.044 0.000 0.824 92 Q CB 1.445 30.206 28.738 0.037 0.000 1.290 92 Q HN -0.032 nan 8.270 nan 0.000 0.449 93 D N 2.354 122.779 120.400 0.040 0.000 2.368 93 D HA 0.209 4.855 4.640 0.010 0.000 0.240 93 D C 0.077 176.404 176.300 0.046 0.000 1.169 93 D CA 0.482 54.507 54.000 0.042 0.000 0.906 93 D CB 1.202 42.021 40.800 0.031 0.000 1.187 93 D HN 0.735 nan 8.370 nan 0.000 0.435 94 G N -0.047 108.784 108.800 0.051 0.000 2.971 94 G HA2 0.354 4.320 3.960 0.010 0.000 0.235 94 G HA3 0.354 4.320 3.960 0.010 0.000 0.235 94 G C -1.935 172.991 174.900 0.045 0.000 1.351 94 G CA -0.605 44.526 45.100 0.051 0.000 1.039 94 G HN 0.268 nan 8.290 nan 0.000 0.563 95 P HA 0.174 nan 4.420 nan 0.000 0.245 95 P C 0.348 177.672 177.300 0.039 0.000 1.203 95 P CA 0.012 63.137 63.100 0.042 0.000 0.792 95 P CB 0.189 31.917 31.700 0.047 0.000 0.997 96 C N 0.822 120.147 119.300 0.042 0.000 2.520 96 C HA 0.607 5.073 4.460 0.010 0.000 0.376 96 C C 0.978 175.986 174.990 0.030 0.000 1.268 96 C CA 0.210 59.250 59.018 0.037 0.000 2.414 96 C CB 0.802 28.567 27.740 0.043 0.000 2.521 96 C HN 0.345 nan 8.230 nan 0.000 0.618 97 T N -1.742 112.827 114.554 0.024 0.000 2.894 97 T HA 0.380 4.736 4.350 0.010 0.000 0.309 97 T C -2.499 172.210 174.700 0.016 0.000 1.208 97 T CA -1.146 60.965 62.100 0.019 0.000 1.016 97 T CB 1.452 70.330 68.868 0.016 0.000 1.192 97 T HN 0.271 nan 8.240 nan 0.000 0.491 98 P HA -0.049 nan 4.420 nan 0.000 0.222 98 P C 1.364 178.669 177.300 0.008 0.000 1.142 98 P CA 0.703 63.808 63.100 0.009 0.000 0.788 98 P CB 0.159 31.863 31.700 0.006 0.000 0.767 99 R N -0.200 120.306 120.500 0.009 0.000 2.052 99 R HA -0.011 4.335 4.340 0.010 0.000 0.226 99 R C 0.844 177.149 176.300 0.009 0.000 1.145 99 R CA 0.907 57.012 56.100 0.008 0.000 0.952 99 R CB 0.177 30.482 30.300 0.008 0.000 0.847 99 R HN 0.036 nan 8.270 nan 0.000 0.431 100 R N -0.134 120.373 120.500 0.012 0.000 2.740 100 R HA 0.252 4.598 4.340 0.010 0.000 0.273 100 R C -1.676 174.634 176.300 0.017 0.000 0.998 100 R CA -0.756 55.351 56.100 0.012 0.000 0.900 100 R CB 0.591 30.898 30.300 0.012 0.000 1.223 100 R HN 0.178 nan 8.270 nan 0.000 0.466 101 C N 3.885 123.195 119.300 0.017 0.000 2.255 101 C HA 0.513 4.979 4.460 0.010 0.000 0.326 101 C C 0.738 175.746 174.990 0.031 0.000 1.258 101 C CA -0.725 58.307 59.018 0.024 0.000 1.676 101 C CB -1.108 26.643 27.740 0.018 0.000 2.314 101 C HN 0.770 nan 8.230 nan 0.000 0.509 102 L N 5.854 127.101 121.223 0.040 0.000 2.848 102 L HA 0.275 4.621 4.340 0.010 0.000 0.240 102 L C 2.071 178.981 176.870 0.066 0.000 1.232 102 L CA 0.249 55.118 54.840 0.047 0.000 1.031 102 L CB -0.184 41.901 42.059 0.043 0.000 1.338 102 L HN 1.025 nan 8.230 nan 0.000 0.509 103 G N 0.249 109.091 108.800 0.070 0.000 2.448 103 G HA2 -0.258 3.708 3.960 0.010 0.000 0.219 103 G HA3 -0.258 3.708 3.960 0.010 0.000 0.219 103 G C 1.615 176.596 174.900 0.135 0.000 1.127 103 G CA 1.099 46.256 45.100 0.095 0.000 0.766 103 G HN 0.533 nan 8.290 nan 0.000 0.552 104 S N -0.384 115.391 115.700 0.124 0.000 2.562 104 S HA 0.253 4.730 4.470 0.010 0.000 0.221 104 S C 0.689 175.388 174.600 0.165 0.000 0.975 104 S CA -0.349 57.943 58.200 0.153 0.000 0.918 104 S CB -0.024 63.239 63.200 0.105 0.000 0.772 104 S HN -0.003 nan 8.310 nan 0.000 0.531 105 L N 2.544 123.848 121.223 0.134 0.000 2.462 105 L HA 0.186 4.533 4.340 0.010 0.000 0.272 105 L C 1.396 178.373 176.870 0.177 0.000 1.166 105 L CA 0.136 55.050 54.840 0.124 0.000 0.880 105 L CB 0.381 42.491 42.059 0.085 0.000 1.142 105 L HN -0.011 nan 8.230 nan 0.000 0.473 106 V N 4.363 124.393 119.914 0.194 0.000 2.358 106 V HA -0.140 3.986 4.120 0.010 0.000 0.246 106 V C 1.113 177.295 176.094 0.147 0.000 1.047 106 V CA 1.399 63.857 62.300 0.264 0.000 1.035 106 V CB -0.297 31.668 31.823 0.237 0.000 0.658 106 V HN 0.566 nan 8.190 nan 0.000 0.452 107 L N 2.273 123.531 121.223 0.059 0.000 2.732 107 L HA 0.349 4.695 4.340 0.010 0.000 0.246 107 L C -2.336 174.559 176.870 0.041 0.000 1.407 107 L CA -1.184 53.663 54.840 0.010 0.000 0.861 107 L CB 0.814 42.811 42.059 -0.103 0.000 1.161 107 L HN 0.217 nan 8.230 nan 0.000 0.510 108 P HA 0.071 nan 4.420 nan 0.000 0.271 108 P C -0.216 177.113 177.300 0.048 0.000 1.216 108 P CA -0.474 62.658 63.100 0.054 0.000 0.776 108 P CB 0.904 32.640 31.700 0.060 0.000 0.881 109 R N 3.253 123.773 120.500 0.033 0.000 3.572 109 R HA 0.066 4.412 4.340 0.010 0.000 0.186 109 R C 0.760 177.079 176.300 0.031 0.000 1.727 109 R CA 0.286 56.403 56.100 0.028 0.000 1.267 109 R CB -0.368 29.942 30.300 0.017 0.000 1.318 109 R HN 0.461 nan 8.270 nan 0.000 0.718 110 K N 0.165 120.590 120.400 0.042 0.000 2.830 110 K HA 0.163 4.489 4.320 0.010 0.000 0.250 110 K C 1.836 178.458 176.600 0.037 0.000 1.395 110 K CA -0.101 56.208 56.287 0.037 0.000 0.886 110 K CB -0.703 31.821 32.500 0.040 0.000 1.889 110 K HN 0.030 nan 8.250 nan 0.000 0.368 111 L N 2.330 123.578 121.223 0.041 0.000 2.042 111 L HA -0.096 4.250 4.340 0.010 0.000 0.210 111 L C 0.987 177.882 176.870 0.042 0.000 1.076 111 L CA 0.974 55.832 54.840 0.031 0.000 0.749 111 L CB -1.085 40.983 42.059 0.014 0.000 0.893 111 L HN 0.354 nan 8.230 nan 0.000 0.432 112 Q N 1.654 121.497 119.800 0.071 0.000 4.129 112 Q HA -0.188 4.158 4.340 0.010 0.000 0.390 112 Q C 0.167 176.188 176.000 0.035 0.000 1.090 112 Q CA 0.706 56.551 55.803 0.070 0.000 1.344 112 Q CB -0.589 28.179 28.738 0.049 0.000 1.031 112 Q HN 0.498 nan 8.270 nan 0.000 0.470 113 T N 2.016 116.591 114.554 0.035 0.000 4.622 113 T HA 0.174 4.530 4.350 0.010 0.000 0.223 113 T C 0.240 174.939 174.700 -0.003 0.000 0.939 113 T CA -0.621 61.487 62.100 0.013 0.000 1.070 113 T CB -0.117 68.760 68.868 0.014 0.000 1.391 113 T HN 0.410 nan 8.240 nan 0.000 1.063 114 R N 2.817 123.311 120.500 -0.009 0.000 2.585 114 R HA 0.212 4.558 4.340 0.010 0.000 0.275 114 R C -2.403 173.880 176.300 -0.028 0.000 1.018 114 R CA -1.759 54.327 56.100 -0.025 0.000 1.072 114 R CB -0.455 29.832 30.300 -0.021 0.000 0.953 114 R HN 0.286 nan 8.270 nan 0.000 0.419 115 P HA -0.029 nan 4.420 nan 0.000 0.253 115 P C -1.007 176.278 177.300 -0.025 0.000 1.170 115 P CA 0.593 63.671 63.100 -0.035 0.000 0.806 115 P CB 0.360 32.032 31.700 -0.046 0.000 0.775 116 S N 3.535 119.222 115.700 -0.021 0.000 2.891 116 S HA 0.338 4.814 4.470 0.010 0.000 0.186 116 S C -1.538 173.052 174.600 -0.016 0.000 1.401 116 S CA -1.202 56.988 58.200 -0.017 0.000 1.035 116 S CB 0.044 63.235 63.200 -0.016 0.000 1.293 116 S HN 0.178 nan 8.310 nan 0.000 0.493 117 P HA -0.095 nan 4.420 nan 0.000 0.207 117 P C 1.052 178.347 177.300 -0.009 0.000 1.115 117 P CA 1.453 64.547 63.100 -0.010 0.000 0.956 117 P CB -0.647 31.049 31.700 -0.007 0.000 0.774 118 G N 1.009 109.805 108.800 -0.005 0.000 2.224 118 G HA2 0.144 4.110 3.960 0.010 0.000 0.239 118 G HA3 0.144 4.110 3.960 0.010 0.000 0.239 118 G C -2.239 172.657 174.900 -0.006 0.000 1.240 118 G CA -0.525 44.573 45.100 -0.003 0.000 0.896 118 G HN 0.166 nan 8.290 nan 0.000 0.496 119 P HA 0.017 nan 4.420 nan 0.000 0.265 119 P C -1.814 175.483 177.300 -0.005 0.000 1.167 119 P CA -0.315 62.780 63.100 -0.008 0.000 0.760 119 P CB 0.095 31.794 31.700 -0.001 0.000 0.783 120 P HA 0.219 nan 4.420 nan 0.000 0.275 120 P C -2.519 174.786 177.300 0.008 0.000 1.228 120 P CA -1.689 61.410 63.100 -0.002 0.000 0.786 120 P CB -0.427 31.269 31.700 -0.007 0.000 0.927 121 P HA -0.031 nan 4.420 nan 0.000 0.253 121 P C 1.057 178.370 177.300 0.021 0.000 1.170 121 P CA 0.402 63.511 63.100 0.014 0.000 0.806 121 P CB -0.200 31.508 31.700 0.013 0.000 0.775 122 A N 4.209 127.043 122.820 0.023 0.000 1.971 122 A HA -0.306 4.020 4.320 0.010 0.000 0.222 122 A C 2.153 179.755 177.584 0.030 0.000 1.182 122 A CA 1.990 54.045 52.037 0.030 0.000 0.649 122 A CB -0.843 18.173 19.000 0.027 0.000 0.818 122 A HN 0.580 nan 8.150 nan 0.000 0.458 123 E N -1.101 119.112 120.200 0.023 0.000 2.077 123 E HA -0.284 4.072 4.350 0.010 0.000 0.193 123 E C 2.223 178.839 176.600 0.025 0.000 0.989 123 E CA 1.554 57.966 56.400 0.020 0.000 0.800 123 E CB -0.113 29.596 29.700 0.015 0.000 0.746 123 E HN 0.725 nan 8.360 nan 0.000 0.452 124 Q N 0.472 120.289 119.800 0.027 0.000 2.046 124 Q HA -0.149 4.197 4.340 0.010 0.000 0.200 124 Q C 2.193 178.221 176.000 0.046 0.000 0.975 124 Q CA 1.239 57.061 55.803 0.031 0.000 0.836 124 Q CB -0.346 28.407 28.738 0.025 0.000 0.896 124 Q HN 0.323 nan 8.270 nan 0.000 0.428 125 L N -0.165 121.089 121.223 0.052 0.000 2.042 125 L HA -0.149 4.197 4.340 0.010 0.000 0.210 125 L C 1.972 178.906 176.870 0.107 0.000 1.076 125 L CA 1.620 56.511 54.840 0.085 0.000 0.749 125 L CB -0.783 41.330 42.059 0.089 0.000 0.893 125 L HN 0.385 nan 8.230 nan 0.000 0.432 126 L N -0.395 120.870 121.223 0.069 0.000 1.994 126 L HA -0.193 4.153 4.340 0.010 0.000 0.208 126 L C 2.776 179.668 176.870 0.036 0.000 1.071 126 L CA 2.295 57.157 54.840 0.036 0.000 0.745 126 L CB -1.279 40.790 42.059 0.016 0.000 0.892 126 L HN 0.667 nan 8.230 nan 0.000 0.431 127 S N -1.578 114.146 115.700 0.042 0.000 2.419 127 S HA -0.231 4.246 4.470 0.010 0.000 0.233 127 S C 1.803 176.446 174.600 0.073 0.000 1.016 127 S CA 0.933 59.160 58.200 0.045 0.000 0.974 127 S CB -0.327 62.895 63.200 0.037 0.000 0.786 127 S HN 0.503 nan 8.310 nan 0.000 0.492 128 Q N 0.680 120.534 119.800 0.090 0.000 2.137 128 Q HA 0.161 4.507 4.340 0.010 0.000 0.198 128 Q C 2.502 178.611 176.000 0.182 0.000 0.960 128 Q CA 1.121 56.996 55.803 0.120 0.000 0.847 128 Q CB -0.365 28.436 28.738 0.105 0.000 0.915 128 Q HN 0.766 nan 8.270 nan 0.000 0.448 129 A N 0.868 123.794 122.820 0.176 0.000 1.897 129 A HA -0.137 4.189 4.320 0.010 0.000 0.215 129 A C 1.925 179.589 177.584 0.133 0.000 1.181 129 A CA 0.923 53.074 52.037 0.190 0.000 0.620 129 A CB -0.293 18.672 19.000 -0.058 0.000 0.821 129 A HN 0.188 nan 8.150 nan 0.000 0.443 130 R N -0.516 120.024 120.500 0.065 0.000 2.105 130 R HA -0.187 4.159 4.340 0.010 0.000 0.239 130 R C 1.923 178.291 176.300 0.114 0.000 1.135 130 R CA 1.738 57.872 56.100 0.058 0.000 0.967 130 R CB -0.424 29.892 30.300 0.026 0.000 0.861 130 R HN 0.730 nan 8.270 nan 0.000 0.442 131 D N -0.101 120.381 120.400 0.138 0.000 2.097 131 D HA -0.193 4.453 4.640 0.010 0.000 0.197 131 D C 1.653 178.076 176.300 0.204 0.000 0.984 131 D CA 0.931 55.022 54.000 0.152 0.000 0.826 131 D CB -0.051 40.837 40.800 0.146 0.000 0.973 131 D HN 0.106 nan 8.370 nan 0.000 0.460 132 F N 0.949 120.987 119.950 0.146 0.000 2.102 132 F HA -0.110 4.422 4.527 0.009 0.000 0.298 132 F C 1.900 177.835 175.800 0.226 0.000 1.105 132 F CA 1.044 59.164 58.000 0.200 0.000 1.239 132 F CB -0.293 38.834 39.000 0.212 0.000 0.991 132 F HN 0.011 nan 8.300 nan 0.000 0.474 133 I N 0.917 121.467 120.570 -0.034 0.000 2.335 133 I HA -0.301 3.875 4.170 0.010 0.000 0.251 133 I C 1.927 178.039 176.117 -0.007 0.000 1.129 133 I CA 1.174 62.446 61.300 -0.048 0.000 1.402 133 I CB -1.649 36.431 38.000 0.132 0.000 1.069 133 I HN 0.238 nan 8.210 nan 0.000 0.424 134 N N 0.860 119.588 118.700 0.046 0.000 2.142 134 N HA -0.169 4.577 4.740 0.010 0.000 0.186 134 N C 1.842 177.284 175.510 -0.114 0.000 1.023 134 N CA 1.032 54.096 53.050 0.022 0.000 0.852 134 N CB -0.336 38.227 38.487 0.126 0.000 0.998 134 N HN 0.467 nan 8.380 nan 0.000 0.424 135 Q N -0.781 118.972 119.800 -0.079 0.000 2.124 135 Q HA -0.176 4.170 4.340 0.010 0.000 0.202 135 Q C 1.658 177.429 176.000 -0.382 0.000 0.977 135 Q CA 1.190 56.959 55.803 -0.058 0.000 0.850 135 Q CB -0.197 28.661 28.738 0.201 0.000 0.901 135 Q HN 0.464 nan 8.270 nan 0.000 0.429 136 Y N -0.213 119.626 120.300 -0.768 0.000 2.163 136 Y HA -0.266 4.289 4.550 0.009 0.000 0.288 136 Y C 1.627 176.986 175.900 -0.901 0.000 1.136 136 Y CA 1.498 58.885 58.100 -1.188 0.000 1.147 136 Y CB -0.393 37.440 38.460 -1.045 0.000 0.987 136 Y HN 0.068 nan 8.280 nan 0.000 0.509 137 Y N -0.755 119.084 120.300 -0.768 0.000 2.352 137 Y HA -0.164 4.393 4.550 0.011 0.000 0.292 137 Y C 3.033 178.586 175.900 -0.579 0.000 1.136 137 Y CA 1.618 59.265 58.100 -0.755 0.000 1.227 137 Y CB -0.709 37.215 38.460 -0.895 0.000 0.991 137 Y HN 0.229 nan 8.280 nan 0.000 0.545 138 S N -0.549 114.922 115.700 -0.381 0.000 2.368 138 S HA -0.189 4.287 4.470 0.010 0.000 0.224 138 S C 2.356 176.786 174.600 -0.283 0.000 1.029 138 S CA 1.489 59.544 58.200 -0.242 0.000 0.988 138 S CB -0.658 62.456 63.200 -0.142 0.000 0.838 138 S HN 0.561 nan 8.310 nan 0.000 0.462 139 S N 1.951 117.395 115.700 -0.426 0.000 2.423 139 S HA -0.035 4.441 4.470 0.010 0.000 0.231 139 S C 1.720 176.089 174.600 -0.385 0.000 1.014 139 S CA 1.022 59.013 58.200 -0.349 0.000 0.965 139 S CB -0.976 61.962 63.200 -0.437 0.000 0.785 139 S HN 0.824 nan 8.310 nan 0.000 0.495 140 I N -3.084 117.138 120.570 -0.580 0.000 3.875 140 I HA 0.378 4.554 4.170 0.010 0.000 0.329 140 I C -0.336 175.605 176.117 -0.293 0.000 1.295 140 I CA -0.472 60.546 61.300 -0.471 0.000 1.129 140 I CB -0.181 37.408 38.000 -0.684 0.000 1.008 140 I HN -0.121 nan 8.210 nan 0.000 0.413 141 K N 2.540 122.796 120.400 -0.239 0.000 3.244 141 K HA -0.137 4.189 4.320 0.010 0.000 0.270 141 K C -0.122 176.421 176.600 -0.095 0.000 1.016 141 K CA 0.421 56.626 56.287 -0.137 0.000 0.754 141 K CB -1.455 30.985 32.500 -0.099 0.000 1.326 141 K HN 0.588 nan 8.250 nan 0.000 0.465 142 R N -0.979 119.472 120.500 -0.081 0.000 2.563 142 R HA 0.063 4.409 4.340 0.010 0.000 0.443 142 R C 0.124 176.480 176.300 0.094 0.000 0.956 142 R CA -0.257 55.859 56.100 0.027 0.000 1.141 142 R CB 0.853 31.206 30.300 0.089 0.000 1.553 142 R HN 0.212 nan 8.270 nan 0.000 0.577 143 S N -0.122 115.600 115.700 0.037 0.000 2.546 143 S HA 0.261 4.737 4.470 0.010 0.000 0.290 143 S C 1.411 176.123 174.600 0.188 0.000 1.290 143 S CA 1.671 59.946 58.200 0.126 0.000 1.069 143 S CB 0.403 63.632 63.200 0.048 0.000 0.846 143 S HN 0.716 nan 8.310 nan 0.000 0.495 144 G N 3.102 112.091 108.800 0.315 0.000 2.225 144 G HA2 -0.310 3.656 3.960 0.010 0.000 0.254 144 G HA3 -0.310 3.656 3.960 0.010 0.000 0.254 144 G C 0.412 175.314 174.900 0.004 0.000 0.988 144 G CA 0.646 45.778 45.100 0.052 0.000 0.625 144 G HN 1.715 nan 8.290 nan 0.000 0.527 145 S N -0.546 115.187 115.700 0.054 0.000 2.634 145 S HA 0.383 4.859 4.470 0.010 0.000 0.254 145 S C 1.346 175.925 174.600 -0.034 0.000 1.299 145 S CA 0.865 59.076 58.200 0.018 0.000 0.974 145 S CB 1.073 64.309 63.200 0.059 0.000 1.001 145 S HN 0.582 nan 8.310 nan 0.000 0.584 146 Q N -0.019 119.766 119.800 -0.025 0.000 2.137 146 Q HA -0.003 4.343 4.340 0.010 0.000 0.198 146 Q C 2.239 178.205 176.000 -0.057 0.000 0.960 146 Q CA 1.062 56.838 55.803 -0.045 0.000 0.847 146 Q CB -0.674 28.051 28.738 -0.021 0.000 0.915 146 Q HN 0.903 nan 8.270 nan 0.000 0.448 147 A N 0.212 123.021 122.820 -0.018 0.000 1.933 147 A HA -0.239 4.088 4.320 0.010 0.000 0.218 147 A C 1.854 179.289 177.584 -0.249 0.000 1.175 147 A CA 1.663 53.701 52.037 0.002 0.000 0.628 147 A CB -0.974 18.138 19.000 0.186 0.000 0.814 147 A HN 0.685 nan 8.150 nan 0.000 0.444 148 H N -0.734 117.942 119.070 -0.657 0.000 2.326 148 H HA -0.095 4.467 4.556 0.011 0.000 0.301 148 H C 1.875 176.872 175.328 -0.552 0.000 1.081 148 H CA 1.233 56.581 56.048 -1.167 0.000 1.334 148 H CB 0.121 29.407 29.762 -0.794 0.000 1.385 148 H HN 0.438 nan 8.280 nan 0.000 0.504 149 E N 0.570 120.558 120.200 -0.353 0.000 2.150 149 E HA -0.139 4.217 4.350 0.010 0.000 0.193 149 E C 2.040 178.531 176.600 -0.181 0.000 0.985 149 E CA 0.851 57.068 56.400 -0.304 0.000 0.814 149 E CB -0.001 29.560 29.700 -0.232 0.000 0.752 149 E HN 0.711 nan 8.360 nan 0.000 0.466 150 E N 0.588 120.706 120.200 -0.137 0.000 2.072 150 E HA -0.153 4.203 4.350 0.010 0.000 0.190 150 E C 2.165 178.732 176.600 -0.055 0.000 0.982 150 E CA 0.611 56.966 56.400 -0.074 0.000 0.803 150 E CB -0.080 29.596 29.700 -0.040 0.000 0.755 150 E HN -0.079 nan 8.360 nan 0.000 0.453 151 R N 1.495 121.957 120.500 -0.062 0.000 2.120 151 R HA -0.094 4.252 4.340 0.010 0.000 0.234 151 R C 2.003 178.290 176.300 -0.022 0.000 1.123 151 R CA 1.117 57.220 56.100 0.004 0.000 0.975 151 R CB -0.584 29.764 30.300 0.079 0.000 0.866 151 R HN 0.179 nan 8.270 nan 0.000 0.446 152 L N -0.086 121.094 121.223 -0.073 0.000 2.027 152 L HA -0.176 4.170 4.340 0.010 0.000 0.206 152 L C 2.492 179.314 176.870 -0.080 0.000 1.074 152 L CA 1.705 56.496 54.840 -0.082 0.000 0.745 152 L CB -0.414 41.562 42.059 -0.138 0.000 0.898 152 L HN 0.303 nan 8.230 nan 0.000 0.433 153 Q N -0.492 119.264 119.800 -0.074 0.000 2.170 153 Q HA -0.270 4.076 4.340 0.010 0.000 0.203 153 Q C 2.040 178.019 176.000 -0.035 0.000 0.976 153 Q CA 1.530 57.301 55.803 -0.054 0.000 0.858 153 Q CB -0.085 28.624 28.738 -0.048 0.000 0.907 153 Q HN 0.469 nan 8.270 nan 0.000 0.433 154 E N 0.045 120.230 120.200 -0.025 0.000 2.150 154 E HA -0.155 4.201 4.350 0.010 0.000 0.193 154 E C 1.759 178.356 176.600 -0.005 0.000 0.985 154 E CA 0.901 57.302 56.400 0.001 0.000 0.814 154 E CB 0.290 30.004 29.700 0.024 0.000 0.752 154 E HN 0.138 nan 8.360 nan 0.000 0.466 155 V N 0.896 120.770 119.914 -0.067 0.000 2.346 155 V HA -0.171 3.955 4.120 0.010 0.000 0.244 155 V C 1.954 177.975 176.094 -0.121 0.000 1.037 155 V CA 1.838 64.032 62.300 -0.176 0.000 1.029 155 V CB -0.401 31.183 31.823 -0.398 0.000 0.663 155 V HN 0.236 nan 8.190 nan 0.000 0.454 156 E N 0.678 120.822 120.200 -0.093 0.000 2.058 156 E HA -0.222 4.134 4.350 0.010 0.000 0.194 156 E C 2.304 178.896 176.600 -0.014 0.000 0.997 156 E CA 1.477 57.846 56.400 -0.051 0.000 0.801 156 E CB -0.393 29.279 29.700 -0.047 0.000 0.746 156 E HN 0.583 nan 8.360 nan 0.000 0.450 157 A N 1.419 124.235 122.820 -0.008 0.000 1.858 157 A HA -0.301 4.025 4.320 0.010 0.000 0.216 157 A C 2.131 179.735 177.584 0.034 0.000 1.190 157 A CA 1.880 53.924 52.037 0.012 0.000 0.617 157 A CB -0.641 18.366 19.000 0.012 0.000 0.827 157 A HN 0.307 nan 8.150 nan 0.000 0.443 158 E N -0.338 119.894 120.200 0.052 0.000 2.085 158 E HA -0.163 4.193 4.350 0.010 0.000 0.194 158 E C 1.765 178.428 176.600 0.104 0.000 0.994 158 E CA 1.691 58.149 56.400 0.097 0.000 0.801 158 E CB -0.177 29.616 29.700 0.156 0.000 0.743 158 E HN 0.297 nan 8.360 nan 0.000 0.453 159 V N 0.910 120.880 119.914 0.093 0.000 2.515 159 V HA -0.193 3.933 4.120 0.010 0.000 0.250 159 V C 2.354 178.483 176.094 0.059 0.000 1.058 159 V CA 1.504 63.862 62.300 0.095 0.000 1.064 159 V CB -0.558 31.319 31.823 0.089 0.000 0.675 159 V HN 0.460 nan 8.190 nan 0.000 0.461 160 A N 0.754 123.599 122.820 0.042 0.000 1.933 160 A HA -0.171 4.155 4.320 0.010 0.000 0.218 160 A C 2.448 180.052 177.584 0.034 0.000 1.175 160 A CA 2.205 54.260 52.037 0.030 0.000 0.628 160 A CB -0.462 18.550 19.000 0.020 0.000 0.814 160 A HN 0.674 nan 8.150 nan 0.000 0.444 161 S N -1.870 113.855 115.700 0.042 0.000 2.492 161 S HA -0.006 4.470 4.470 0.010 0.000 0.218 161 S C 1.485 176.114 174.600 0.048 0.000 1.016 161 S CA 1.192 59.416 58.200 0.041 0.000 0.916 161 S CB -0.292 62.932 63.200 0.040 0.000 0.791 161 S HN 0.752 nan 8.310 nan 0.000 0.513 162 T N -3.855 110.735 114.554 0.061 0.000 2.975 162 T HA 0.562 4.918 4.350 0.010 0.000 0.261 162 T C 1.584 176.316 174.700 0.053 0.000 0.984 162 T CA 0.769 62.907 62.100 0.063 0.000 0.911 162 T CB 0.287 69.210 68.868 0.091 0.000 1.127 162 T HN 1.083 nan 8.240 nan 0.000 0.514 163 G N 0.376 109.208 108.800 0.054 0.000 2.241 163 G HA2 -0.219 3.747 3.960 0.010 0.000 0.244 163 G HA3 -0.219 3.747 3.960 0.010 0.000 0.244 163 G C 0.255 175.182 174.900 0.045 0.000 0.998 163 G CA 0.637 45.763 45.100 0.042 0.000 0.621 163 G HN 0.963 nan 8.290 nan 0.000 0.519 164 T N -1.332 113.254 114.554 0.052 0.000 2.565 164 T HA 0.769 5.125 4.350 0.010 0.000 0.266 164 T C -1.085 173.695 174.700 0.133 0.000 0.905 164 T CA 0.642 62.753 62.100 0.018 0.000 1.122 164 T CB 1.369 70.157 68.868 -0.132 0.000 1.437 164 T HN 1.666 nan 8.240 nan 0.000 0.506 165 Y N -0.983 119.229 120.300 -0.147 0.000 2.774 165 Y HA 0.733 5.289 4.550 0.010 0.000 0.346 165 Y C -1.842 173.890 175.900 -0.280 0.000 1.222 165 Y CA -1.213 56.847 58.100 -0.067 0.000 1.088 165 Y CB 0.480 38.950 38.460 0.016 0.000 1.354 165 Y HN 0.795 nan 8.280 nan 0.000 0.455 166 H N 0.760 119.929 119.070 0.164 0.000 2.797 166 H HA 0.747 5.309 4.556 0.010 0.000 0.372 166 H C -1.053 174.405 175.328 0.215 0.000 1.168 166 H CA -0.896 55.179 56.048 0.045 0.000 1.163 166 H CB 2.014 31.807 29.762 0.051 0.000 1.778 166 H HN 0.742 nan 8.280 nan 0.000 0.551 167 L N 1.612 122.988 121.223 0.256 0.000 2.343 167 L HA 0.511 4.858 4.340 0.010 0.000 0.275 167 L C 0.419 177.391 176.870 0.170 0.000 1.056 167 L CA -0.807 54.184 54.840 0.252 0.000 0.804 167 L CB 1.118 43.299 42.059 0.203 0.000 1.203 167 L HN 0.405 nan 8.230 nan 0.000 0.440 168 R N 1.007 121.574 120.500 0.112 0.000 2.582 168 R HA 0.037 4.384 4.340 0.010 0.000 0.271 168 R C 1.061 177.368 176.300 0.013 0.000 1.078 168 R CA -0.368 55.760 56.100 0.047 0.000 1.127 168 R CB 0.924 31.224 30.300 -0.001 0.000 1.038 168 R HN 0.675 nan 8.270 nan 0.000 0.500 169 E N 1.352 121.559 120.200 0.011 0.000 2.055 169 E HA -0.305 4.051 4.350 0.010 0.000 0.209 169 E C 1.505 178.099 176.600 -0.011 0.000 1.036 169 E CA 2.583 58.982 56.400 -0.002 0.000 0.849 169 E CB -0.040 29.660 29.700 0.001 0.000 0.767 169 E HN 0.698 nan 8.360 nan 0.000 0.461 170 S N 0.147 115.840 115.700 -0.012 0.000 2.440 170 S HA -0.194 4.282 4.470 0.010 0.000 0.238 170 S C 1.679 176.271 174.600 -0.014 0.000 1.010 170 S CA 1.462 59.675 58.200 0.020 0.000 0.972 170 S CB -0.369 62.871 63.200 0.067 0.000 0.774 170 S HN 0.366 nan 8.310 nan 0.000 0.501 171 E N 0.668 120.758 120.200 -0.184 0.000 2.107 171 E HA 0.003 4.359 4.350 0.010 0.000 0.191 171 E C 2.007 178.738 176.600 0.219 0.000 0.982 171 E CA 0.929 57.223 56.400 -0.176 0.000 0.809 171 E CB -0.285 29.318 29.700 -0.161 0.000 0.756 171 E HN 0.465 nan 8.360 nan 0.000 0.459 172 L N 0.944 122.210 121.223 0.072 0.000 2.056 172 L HA -0.139 4.207 4.340 0.010 0.000 0.207 172 L C 2.216 179.074 176.870 -0.019 0.000 1.078 172 L CA 1.248 56.071 54.840 -0.029 0.000 0.749 172 L CB -0.237 41.756 42.059 -0.110 0.000 0.901 172 L HN -0.090 nan 8.230 nan 0.000 0.433 173 V N -0.305 119.627 119.914 0.030 0.000 2.287 173 V HA -0.331 3.795 4.120 0.010 0.000 0.248 173 V C 2.345 178.521 176.094 0.137 0.000 1.053 173 V CA 2.256 64.582 62.300 0.044 0.000 1.027 173 V CB -1.022 30.835 31.823 0.057 0.000 0.646 173 V HN 0.578 nan 8.190 nan 0.000 0.447 174 F N 2.135 122.159 119.950 0.123 0.000 2.095 174 F HA -0.089 4.444 4.527 0.009 0.000 0.298 174 F C 2.167 178.094 175.800 0.212 0.000 1.104 174 F CA 1.883 60.009 58.000 0.210 0.000 1.232 174 F CB -0.935 38.260 39.000 0.325 0.000 0.987 174 F HN 0.122 nan 8.300 nan 0.000 0.475 175 G N -0.385 108.454 108.800 0.064 0.000 2.408 175 G HA2 -0.150 3.816 3.960 0.010 0.000 0.217 175 G HA3 -0.150 3.816 3.960 0.010 0.000 0.217 175 G C 1.817 176.548 174.900 -0.281 0.000 1.150 175 G CA 0.759 45.762 45.100 -0.162 0.000 0.776 175 G HN 0.658 nan 8.290 nan 0.000 0.542 176 A N 1.156 123.854 122.820 -0.204 0.000 1.883 176 A HA -0.051 4.276 4.320 0.010 0.000 0.217 176 A C 2.308 179.853 177.584 -0.065 0.000 1.186 176 A CA 2.006 53.929 52.037 -0.189 0.000 0.624 176 A CB -0.387 18.537 19.000 -0.126 0.000 0.822 176 A HN 0.377 nan 8.150 nan 0.000 0.444 177 K N -0.846 119.562 120.400 0.014 0.000 2.097 177 K HA -0.136 4.190 4.320 0.010 0.000 0.206 177 K C 2.299 178.924 176.600 0.041 0.000 1.049 177 K CA 1.259 57.660 56.287 0.190 0.000 0.933 177 K CB -0.163 32.516 32.500 0.298 0.000 0.717 177 K HN 0.393 nan 8.250 nan 0.000 0.442 178 Q N 0.411 120.054 119.800 -0.262 0.000 2.084 178 Q HA -0.101 4.245 4.340 0.010 0.000 0.202 178 Q C 2.254 178.085 176.000 -0.281 0.000 0.978 178 Q CA 1.657 57.217 55.803 -0.405 0.000 0.844 178 Q CB -0.380 28.012 28.738 -0.576 0.000 0.898 178 Q HN 0.338 nan 8.270 nan 0.000 0.426 179 A N 0.257 122.899 122.820 -0.296 0.000 1.940 179 A HA -0.194 4.132 4.320 0.010 0.000 0.219 179 A C 1.822 179.390 177.584 -0.027 0.000 1.176 179 A CA 1.482 53.294 52.037 -0.375 0.000 0.631 179 A CB -0.950 17.479 19.000 -0.950 0.000 0.814 179 A HN 0.547 nan 8.150 nan 0.000 0.446 180 W N 0.872 122.143 121.300 -0.048 0.000 2.378 180 W HA -0.116 4.548 4.660 0.008 0.000 0.313 180 W C 2.325 178.797 176.519 -0.078 0.000 1.197 180 W CA 1.503 58.883 57.345 0.059 0.000 1.304 180 W CB -0.812 28.677 29.460 0.048 0.000 1.148 180 W HN 0.367 nan 8.180 nan 0.000 0.494 181 R N 0.352 120.789 120.500 -0.105 0.000 2.139 181 R HA -0.210 4.136 4.340 0.010 0.000 0.243 181 R C 1.567 177.697 176.300 -0.283 0.000 1.145 181 R CA 1.915 57.731 56.100 -0.473 0.000 0.976 181 R CB -0.502 29.233 30.300 -0.941 0.000 0.866 181 R HN 0.108 nan 8.270 nan 0.000 0.449 182 N N 0.127 118.719 118.700 -0.180 0.000 2.422 182 N HA 0.035 4.782 4.740 0.010 0.000 0.181 182 N C -0.355 175.101 175.510 -0.090 0.000 1.080 182 N CA 0.655 53.620 53.050 -0.141 0.000 0.893 182 N CB 0.386 38.789 38.487 -0.141 0.000 0.973 182 N HN 0.172 nan 8.380 nan 0.000 0.456 183 A N 2.078 124.894 122.820 -0.007 0.000 2.496 183 A HA 0.179 4.505 4.320 0.010 0.000 0.278 183 A C -1.264 176.293 177.584 -0.046 0.000 1.137 183 A CA -0.783 51.251 52.037 -0.005 0.000 0.805 183 A CB 0.234 19.281 19.000 0.079 0.000 1.077 183 A HN 0.037 nan 8.150 nan 0.000 0.513 184 P HA -0.087 nan 4.420 nan 0.000 0.222 184 P C 1.126 178.360 177.300 -0.111 0.000 1.147 184 P CA 1.074 64.102 63.100 -0.120 0.000 0.790 184 P CB 0.183 31.778 31.700 -0.176 0.000 0.780 185 R N -2.172 118.220 120.500 -0.181 0.000 2.300 185 R HA 0.147 4.493 4.340 0.010 0.000 0.199 185 R C 0.311 176.594 176.300 -0.028 0.000 0.920 185 R CA -0.089 55.912 56.100 -0.165 0.000 1.046 185 R CB -0.362 29.620 30.300 -0.530 0.000 0.984 185 R HN 0.170 nan 8.270 nan 0.000 0.493 186 C N 0.825 120.110 119.300 -0.026 0.000 2.303 186 C HA 0.202 4.668 4.460 0.010 0.000 0.341 186 C C 1.954 176.922 174.990 -0.038 0.000 1.244 186 C CA -0.653 58.379 59.018 0.023 0.000 1.765 186 C CB 0.487 28.304 27.740 0.129 0.000 2.379 186 C HN 0.288 nan 8.230 nan 0.000 0.530 187 V N 6.074 125.917 119.914 -0.119 0.000 3.306 187 V HA 0.197 4.323 4.120 0.010 0.000 0.264 187 V C 1.758 177.886 176.094 0.057 0.000 1.149 187 V CA 2.152 64.284 62.300 -0.281 0.000 1.143 187 V CB -0.184 31.474 31.823 -0.275 0.000 0.767 187 V HN 1.063 nan 8.190 nan 0.000 0.476 188 G N -0.541 108.321 108.800 0.104 0.000 3.448 188 G HA2 0.069 4.035 3.960 0.010 0.000 0.261 188 G HA3 0.069 4.035 3.960 0.010 0.000 0.261 188 G C 1.164 176.113 174.900 0.082 0.000 1.173 188 G CA -0.363 44.817 45.100 0.132 0.000 0.835 188 G HN 0.446 nan 8.290 nan 0.000 0.534 189 R N -0.181 120.292 120.500 -0.046 0.000 2.357 189 R HA 0.113 4.459 4.340 0.010 0.000 0.202 189 R C 1.943 177.842 176.300 -0.668 0.000 1.047 189 R CA 0.142 55.931 56.100 -0.518 0.000 1.034 189 R CB -0.132 29.825 30.300 -0.572 0.000 0.875 189 R HN 0.463 nan 8.270 nan 0.000 0.473 190 I N 0.835 121.191 120.570 -0.356 0.000 2.756 190 I HA -0.220 3.956 4.170 0.010 0.000 0.262 190 I C 1.200 177.225 176.117 -0.154 0.000 1.225 190 I CA 1.179 62.406 61.300 -0.122 0.000 1.472 190 I CB 0.183 38.212 38.000 0.049 0.000 1.094 190 I HN 0.195 nan 8.210 nan 0.000 0.454 191 Q N 0.470 120.116 119.800 -0.256 0.000 2.360 191 Q HA -0.085 4.261 4.340 0.010 0.000 0.202 191 Q C 1.605 177.184 176.000 -0.703 0.000 0.915 191 Q CA 0.280 55.921 55.803 -0.271 0.000 0.943 191 Q CB -0.175 28.568 28.738 0.008 0.000 1.064 191 Q HN 0.783 nan 8.270 nan 0.000 0.511 192 W N 0.358 120.935 121.300 -1.205 0.000 2.313 192 W HA -0.177 4.491 4.660 0.013 0.000 0.293 192 W C 1.184 177.380 176.519 -0.538 0.000 1.216 192 W CA 1.282 57.785 57.345 -1.404 0.000 1.223 192 W CB -1.281 27.563 29.460 -1.026 0.000 1.138 192 W HN 0.084 nan 8.180 nan 0.000 0.535 193 G N 1.185 109.215 108.800 -1.283 0.000 2.471 193 G HA2 -0.219 3.747 3.960 0.010 0.000 0.219 193 G HA3 -0.219 3.747 3.960 0.010 0.000 0.219 193 G C 0.918 175.560 174.900 -0.430 0.000 1.125 193 G CA 0.321 44.746 45.100 -1.125 0.000 0.775 193 G HN 0.276 nan 8.290 nan 0.000 0.548 194 K N 0.135 120.389 120.400 -0.244 0.000 2.356 194 K HA 0.503 4.829 4.320 0.010 0.000 0.243 194 K C -1.593 175.109 176.600 0.171 0.000 1.072 194 K CA -0.659 55.614 56.287 -0.023 0.000 1.014 194 K CB 0.265 32.774 32.500 0.016 0.000 1.523 194 K HN 0.072 nan 8.250 nan 0.000 0.455 195 L N 3.074 124.387 121.223 0.151 0.000 2.439 195 L HA 0.336 4.682 4.340 0.010 0.000 0.270 195 L C -1.230 175.649 176.870 0.014 0.000 0.972 195 L CA -0.428 54.524 54.840 0.188 0.000 0.836 195 L CB 1.875 44.126 42.059 0.321 0.000 1.255 195 L HN 0.417 nan 8.230 nan 0.000 0.404 196 Q N 3.506 123.271 119.800 -0.059 0.000 2.323 196 Q HA 0.434 4.780 4.340 0.010 0.000 0.257 196 Q C -1.489 174.207 176.000 -0.507 0.000 1.022 196 Q CA -0.008 55.609 55.803 -0.309 0.000 0.919 196 Q CB 0.988 29.516 28.738 -0.351 0.000 1.220 196 Q HN 0.527 nan 8.270 nan 0.000 0.427 197 V N 6.544 126.179 119.914 -0.465 0.000 2.348 197 V HA 0.327 4.453 4.120 0.010 0.000 0.270 197 V C -0.576 175.219 176.094 -0.499 0.000 1.037 197 V CA -0.453 61.613 62.300 -0.390 0.000 0.872 197 V CB 0.020 31.718 31.823 -0.210 0.000 1.002 197 V HN 0.626 nan 8.190 nan 0.000 0.464 198 F N 2.965 122.762 119.950 -0.255 0.000 2.391 198 F HA 0.340 4.871 4.527 0.006 0.000 0.359 198 F C 0.596 176.206 175.800 -0.316 0.000 1.122 198 F CA -0.955 56.879 58.000 -0.276 0.000 1.120 198 F CB 0.862 39.679 39.000 -0.305 0.000 1.142 198 F HN 0.410 nan 8.300 nan 0.000 0.483 199 D N 3.394 123.748 120.400 -0.078 0.000 2.365 199 D HA 0.385 5.031 4.640 0.010 0.000 0.237 199 D C -0.019 176.134 176.300 -0.244 0.000 1.190 199 D CA 0.097 54.002 54.000 -0.158 0.000 0.867 199 D CB 1.106 41.855 40.800 -0.086 0.000 1.050 199 D HN 0.610 nan 8.370 nan 0.000 0.491 200 A N 4.649 127.201 122.820 -0.447 0.000 2.676 200 A HA 0.172 4.498 4.320 0.010 0.000 0.297 200 A C 1.304 178.718 177.584 -0.283 0.000 1.132 200 A CA -0.448 51.190 52.037 -0.665 0.000 0.972 200 A CB 0.035 18.088 19.000 -1.577 0.000 1.197 200 A HN 0.538 nan 8.150 nan 0.000 0.524 201 R N 0.573 120.992 120.500 -0.134 0.000 2.346 201 R HA -0.043 4.303 4.340 0.010 0.000 0.199 201 R C 0.693 176.990 176.300 -0.005 0.000 1.015 201 R CA 1.046 57.125 56.100 -0.035 0.000 1.058 201 R CB 0.107 30.440 30.300 0.055 0.000 0.921 201 R HN 0.692 nan 8.270 nan 0.000 0.475 202 D N -0.744 119.672 120.400 0.027 0.000 2.388 202 D HA -0.070 4.576 4.640 0.010 0.000 0.208 202 D C 0.609 176.992 176.300 0.139 0.000 1.035 202 D CA -0.277 53.774 54.000 0.086 0.000 0.875 202 D CB -0.638 40.230 40.800 0.112 0.000 0.984 202 D HN -0.015 nan 8.370 nan 0.000 0.508 203 C N 2.124 121.534 119.300 0.183 0.000 2.378 203 C HA 0.189 4.655 4.460 0.010 0.000 0.395 203 C C 1.708 176.853 174.990 0.257 0.000 1.476 203 C CA 1.094 60.280 59.018 0.279 0.000 1.541 203 C CB -0.770 27.170 27.740 0.333 0.000 2.524 203 C HN 0.512 nan 8.230 nan 0.000 0.595 204 S N 2.184 118.072 115.700 0.312 0.000 2.787 204 S HA 0.290 4.766 4.470 0.010 0.000 0.255 204 S C -0.078 174.680 174.600 0.263 0.000 1.051 204 S CA 0.288 58.696 58.200 0.347 0.000 1.124 204 S CB -0.130 63.197 63.200 0.212 0.000 1.104 204 S HN 1.371 nan 8.310 nan 0.000 0.623 205 S N 0.049 115.896 115.700 0.244 0.000 2.546 205 S HA 0.804 5.280 4.470 0.010 0.000 0.274 205 S C 0.849 175.522 174.600 0.121 0.000 1.121 205 S CA -0.229 58.055 58.200 0.139 0.000 0.887 205 S CB 1.348 64.615 63.200 0.111 0.000 1.094 205 S HN 0.539 nan 8.310 nan 0.000 0.474 206 A N 1.461 124.324 122.820 0.072 0.000 2.024 206 A HA -0.119 4.207 4.320 0.010 0.000 0.220 206 A C 2.085 179.682 177.584 0.023 0.000 1.164 206 A CA 2.211 54.285 52.037 0.062 0.000 0.643 206 A CB -1.023 18.051 19.000 0.123 0.000 0.806 206 A HN 0.953 nan 8.150 nan 0.000 0.451 207 Q N 0.255 120.138 119.800 0.138 0.000 2.119 207 Q HA -0.155 4.191 4.340 0.010 0.000 0.201 207 Q C 1.856 177.848 176.000 -0.013 0.000 0.972 207 Q CA 2.219 58.090 55.803 0.113 0.000 0.847 207 Q CB -0.382 28.487 28.738 0.219 0.000 0.903 207 Q HN 0.740 nan 8.270 nan 0.000 0.433 208 E N -0.650 119.575 120.200 0.041 0.000 2.106 208 E HA -0.151 4.205 4.350 0.010 0.000 0.192 208 E C 1.902 178.554 176.600 0.087 0.000 0.984 208 E CA 1.071 57.496 56.400 0.042 0.000 0.806 208 E CB -0.101 29.667 29.700 0.113 0.000 0.750 208 E HN 0.467 nan 8.360 nan 0.000 0.458 209 M N -0.156 119.481 119.600 0.061 0.000 2.106 209 M HA -0.171 4.315 4.480 0.010 0.000 0.259 209 M C 2.109 178.431 176.300 0.037 0.000 1.068 209 M CA 1.503 56.801 55.300 -0.004 0.000 1.100 209 M CB -0.334 32.086 32.600 -0.300 0.000 1.351 209 M HN 0.225 nan 8.290 nan 0.000 0.404 210 F N 0.786 120.514 119.950 -0.371 0.000 2.216 210 F HA -0.207 4.328 4.527 0.013 0.000 0.300 210 F C 2.160 177.835 175.800 -0.209 0.000 1.085 210 F CA 1.597 59.322 58.000 -0.458 0.000 1.326 210 F CB -0.082 38.271 39.000 -1.078 0.000 1.027 210 F HN 0.065 nan 8.300 nan 0.000 0.497 211 T N -0.542 113.855 114.554 -0.262 0.000 2.701 211 T HA -0.218 4.138 4.350 0.010 0.000 0.263 211 T C 1.599 176.135 174.700 -0.274 0.000 1.040 211 T CA 1.763 63.665 62.100 -0.330 0.000 1.147 211 T CB -0.931 67.775 68.868 -0.271 0.000 0.865 211 T HN 0.352 nan 8.240 nan 0.000 0.426 212 Y N 1.154 121.399 120.300 -0.093 0.000 2.081 212 Y HA -0.154 4.401 4.550 0.008 0.000 0.280 212 Y C 2.429 178.270 175.900 -0.097 0.000 1.163 212 Y CA 0.988 59.051 58.100 -0.063 0.000 1.135 212 Y CB -0.434 38.117 38.460 0.151 0.000 0.970 212 Y HN 0.122 nan 8.280 nan 0.000 0.498 213 I N -1.286 119.369 120.570 0.142 0.000 2.208 213 I HA -0.393 3.783 4.170 0.010 0.000 0.245 213 I C 2.388 178.431 176.117 -0.124 0.000 1.097 213 I CA 1.116 62.430 61.300 0.022 0.000 1.363 213 I CB -0.531 37.473 38.000 0.007 0.000 1.051 213 I HN 0.368 nan 8.210 nan 0.000 0.413 214 C N 0.573 119.687 119.300 -0.310 0.000 2.425 214 C HA -0.134 4.332 4.460 0.010 0.000 0.277 214 C C 2.629 177.512 174.990 -0.179 0.000 1.280 214 C CA 0.826 59.643 59.018 -0.335 0.000 1.744 214 C CB -1.409 25.995 27.740 -0.559 0.000 1.989 214 C HN 0.546 nan 8.230 nan 0.000 0.491 215 N N -0.145 118.448 118.700 -0.178 0.000 2.142 215 N HA -0.132 4.614 4.740 0.010 0.000 0.186 215 N C 1.473 176.904 175.510 -0.132 0.000 1.023 215 N CA 1.359 54.306 53.050 -0.173 0.000 0.852 215 N CB -0.794 37.537 38.487 -0.260 0.000 0.998 215 N HN 0.753 nan 8.380 nan 0.000 0.424 216 H N 0.534 119.453 119.070 -0.250 0.000 2.290 216 H HA 0.021 4.584 4.556 0.012 0.000 0.298 216 H C 2.094 177.438 175.328 0.027 0.000 1.087 216 H CA 1.498 57.459 56.048 -0.144 0.000 1.291 216 H CB -0.027 29.684 29.762 -0.085 0.000 1.369 216 H HN 0.096 nan 8.280 nan 0.000 0.492 217 I N 0.739 121.415 120.570 0.177 0.000 2.286 217 I HA -0.263 3.913 4.170 0.010 0.000 0.248 217 I C 2.376 178.560 176.117 0.111 0.000 1.115 217 I CA 1.273 62.633 61.300 0.100 0.000 1.392 217 I CB -0.243 37.743 38.000 -0.023 0.000 1.065 217 I HN 0.332 nan 8.210 nan 0.000 0.418 218 K N 0.071 120.518 120.400 0.078 0.000 2.025 218 K HA -0.219 4.107 4.320 0.010 0.000 0.207 218 K C 2.250 178.926 176.600 0.127 0.000 1.049 218 K CA 1.690 58.019 56.287 0.070 0.000 0.933 218 K CB -0.400 32.119 32.500 0.032 0.000 0.714 218 K HN 0.269 nan 8.250 nan 0.000 0.438 219 Y N 1.341 121.677 120.300 0.061 0.000 2.200 219 Y HA -0.173 4.380 4.550 0.005 0.000 0.290 219 Y C 2.184 178.173 175.900 0.149 0.000 1.137 219 Y CA 1.352 59.522 58.100 0.118 0.000 1.163 219 Y CB -0.152 38.431 38.460 0.204 0.000 0.988 219 Y HN 0.043 nan 8.280 nan 0.000 0.518 220 A N -0.711 122.283 122.820 0.291 0.000 1.898 220 A HA -0.129 4.198 4.320 0.010 0.000 0.216 220 A C 2.183 179.838 177.584 0.117 0.000 1.181 220 A CA 2.095 54.266 52.037 0.224 0.000 0.620 220 A CB -1.234 17.997 19.000 0.385 0.000 0.819 220 A HN 0.484 nan 8.150 nan 0.000 0.442 221 T N -0.210 114.410 114.554 0.110 0.000 2.737 221 T HA -0.115 4.241 4.350 0.010 0.000 0.265 221 T C 1.127 175.843 174.700 0.027 0.000 1.038 221 T CA 1.276 63.424 62.100 0.081 0.000 1.144 221 T CB -0.456 68.454 68.868 0.070 0.000 0.866 221 T HN 0.651 nan 8.240 nan 0.000 0.434 222 N N 1.027 119.721 118.700 -0.011 0.000 2.708 222 N HA -0.260 4.486 4.740 0.010 0.000 0.251 222 N C -0.361 175.131 175.510 -0.030 0.000 1.017 222 N CA 0.585 53.603 53.050 -0.054 0.000 0.742 222 N CB -1.297 37.111 38.487 -0.131 0.000 0.943 222 N HN 0.481 nan 8.380 nan 0.000 0.539 223 R N -2.442 118.052 120.500 -0.009 0.000 3.525 223 R HA -0.198 4.148 4.340 0.010 0.000 0.276 223 R C 1.332 177.623 176.300 -0.016 0.000 1.116 223 R CA 1.071 57.164 56.100 -0.011 0.000 0.745 223 R CB -1.909 28.381 30.300 -0.017 0.000 1.185 223 R HN 0.922 nan 8.270 nan 0.000 0.454 224 G N -0.380 108.419 108.800 -0.002 0.000 2.284 224 G HA2 -0.370 3.597 3.960 0.010 0.000 0.230 224 G HA3 -0.370 3.597 3.960 0.010 0.000 0.230 224 G C 0.063 174.957 174.900 -0.010 0.000 1.021 224 G CA 0.142 45.241 45.100 -0.002 0.000 0.619 224 G HN 0.430 nan 8.290 nan 0.000 0.510 225 N N 1.488 120.169 118.700 -0.032 0.000 3.188 225 N HA 0.468 5.215 4.740 0.010 0.000 0.279 225 N C 0.413 175.897 175.510 -0.044 0.000 1.213 225 N CA -0.449 52.564 53.050 -0.062 0.000 1.138 225 N CB -0.347 38.099 38.487 -0.069 0.000 1.417 225 N HN 0.262 nan 8.380 nan 0.000 0.526 226 L N 1.775 123.002 121.223 0.006 0.000 2.559 226 L HA 0.036 4.382 4.340 0.010 0.000 0.282 226 L C 0.803 177.787 176.870 0.190 0.000 1.232 226 L CA 1.079 55.993 54.840 0.123 0.000 0.885 226 L CB 0.127 42.348 42.059 0.269 0.000 1.131 226 L HN 0.357 nan 8.230 nan 0.000 0.498 227 R N 1.598 122.210 120.500 0.186 0.000 2.561 227 R HA 0.455 4.801 4.340 0.010 0.000 0.297 227 R C -0.552 175.899 176.300 0.251 0.000 0.969 227 R CA -0.698 55.527 56.100 0.208 0.000 0.879 227 R CB 1.688 31.958 30.300 -0.049 0.000 1.178 227 R HN 0.575 nan 8.270 nan 0.000 0.445 228 S N 1.372 117.225 115.700 0.256 0.000 2.562 228 S HA 0.492 4.968 4.470 0.010 0.000 0.281 228 S C -0.174 174.486 174.600 0.101 0.000 1.333 228 S CA -0.134 58.117 58.200 0.086 0.000 1.052 228 S CB 1.218 64.414 63.200 -0.007 0.000 0.884 228 S HN 0.721 nan 8.310 nan 0.000 0.506 229 A N 2.136 124.981 122.820 0.041 0.000 2.586 229 A HA 0.838 5.164 4.320 0.010 0.000 0.290 229 A C -1.420 176.155 177.584 -0.015 0.000 1.086 229 A CA -0.670 51.343 52.037 -0.040 0.000 0.665 229 A CB 1.118 20.088 19.000 -0.049 0.000 1.279 229 A HN 0.805 nan 8.150 nan 0.000 0.423 230 I N 0.053 120.578 120.570 -0.074 0.000 2.787 230 I HA 0.580 4.756 4.170 0.010 0.000 0.294 230 I C -1.433 174.703 176.117 0.033 0.000 1.365 230 I CA -0.093 61.270 61.300 0.105 0.000 1.029 230 I CB 2.377 40.439 38.000 0.103 0.000 1.313 230 I HN 0.624 nan 8.210 nan 0.000 0.431 231 T N 6.233 120.832 114.554 0.075 0.000 2.786 231 T HA 0.458 4.814 4.350 0.010 0.000 0.283 231 T C -0.711 173.729 174.700 -0.433 0.000 0.992 231 T CA -0.356 61.637 62.100 -0.178 0.000 0.954 231 T CB 1.552 70.292 68.868 -0.213 0.000 0.934 231 T HN 0.264 nan 8.240 nan 0.000 0.440 232 V N 5.204 124.829 119.914 -0.481 0.000 2.350 232 V HA 0.477 4.603 4.120 0.010 0.000 0.276 232 V C -0.416 175.395 176.094 -0.473 0.000 1.028 232 V CA -0.727 61.311 62.300 -0.437 0.000 0.860 232 V CB 0.008 31.556 31.823 -0.458 0.000 0.990 232 V HN 0.697 nan 8.190 nan 0.000 0.453 233 F N 5.062 124.961 119.950 -0.086 0.000 2.375 233 F HA 0.528 5.061 4.527 0.011 0.000 0.317 233 F C -1.846 173.859 175.800 -0.157 0.000 1.124 233 F CA -2.635 55.230 58.000 -0.225 0.000 1.050 233 F CB 0.174 39.023 39.000 -0.252 0.000 1.314 233 F HN 0.281 nan 8.300 nan 0.000 0.511 234 P HA -0.039 nan 4.420 nan 0.000 0.261 234 P C -0.965 176.292 177.300 -0.072 0.000 1.173 234 P CA 0.114 63.084 63.100 -0.217 0.000 0.760 234 P CB 0.131 31.525 31.700 -0.510 0.000 0.783 235 Q N 3.439 123.103 119.800 -0.227 0.000 2.492 235 Q HA 0.200 4.546 4.340 0.010 0.000 0.238 235 Q C -0.255 175.609 176.000 -0.227 0.000 1.045 235 Q CA -0.498 54.968 55.803 -0.563 0.000 0.934 235 Q CB 0.551 28.643 28.738 -1.076 0.000 1.276 235 Q HN 0.314 nan 8.270 nan 0.000 0.521 236 R N 0.105 120.474 120.500 -0.220 0.000 2.623 236 R HA 0.331 4.677 4.340 0.010 0.000 0.271 236 R C -0.544 175.695 176.300 -0.101 0.000 1.043 236 R CA 0.382 56.428 56.100 -0.089 0.000 1.083 236 R CB 0.475 30.722 30.300 -0.087 0.000 0.974 236 R HN 0.683 nan 8.270 nan 0.000 0.436 237 A N 4.491 127.295 122.820 -0.028 0.000 2.337 237 A HA 0.543 4.869 4.320 0.010 0.000 0.331 237 A C -2.338 175.236 177.584 -0.016 0.000 1.137 237 A CA -2.109 49.916 52.037 -0.020 0.000 0.807 237 A CB 0.854 19.873 19.000 0.032 0.000 1.250 237 A HN 0.439 nan 8.150 nan 0.000 0.468 238 P HA 0.193 nan 4.420 nan 0.000 0.260 238 P C 1.020 178.321 177.300 0.002 0.000 1.185 238 P CA 1.948 65.043 63.100 -0.008 0.000 0.763 238 P CB 0.386 32.086 31.700 -0.000 0.000 0.776 239 G N 2.451 111.250 108.800 -0.001 0.000 2.244 239 G HA2 -0.325 3.641 3.960 0.010 0.000 0.274 239 G HA3 -0.325 3.641 3.960 0.010 0.000 0.274 239 G C 0.410 175.314 174.900 0.007 0.000 1.002 239 G CA 0.157 45.259 45.100 0.003 0.000 0.740 239 G HN 0.678 nan 8.290 nan 0.000 0.516 240 R N 0.098 120.604 120.500 0.009 0.000 2.720 240 R HA 0.574 4.920 4.340 0.010 0.000 0.272 240 R C 0.990 177.294 176.300 0.008 0.000 0.991 240 R CA -0.068 56.040 56.100 0.012 0.000 1.010 240 R CB 0.714 31.030 30.300 0.026 0.000 1.141 240 R HN 0.251 nan 8.270 nan 0.000 0.494 241 G N 1.530 110.327 108.800 -0.005 0.000 2.554 241 G HA2 0.034 4.000 3.960 0.010 0.000 0.238 241 G HA3 0.034 4.000 3.960 0.010 0.000 0.238 241 G C -0.642 174.251 174.900 -0.011 0.000 1.259 241 G CA -0.344 44.747 45.100 -0.015 0.000 0.843 241 G HN 0.588 nan 8.290 nan 0.000 0.582 242 D N -0.276 120.131 120.400 0.012 0.000 2.312 242 D HA 0.323 4.969 4.640 0.010 0.000 0.248 242 D C -0.392 175.943 176.300 0.058 0.000 1.086 242 D CA -0.023 54.020 54.000 0.071 0.000 0.948 242 D CB 1.018 41.862 40.800 0.073 0.000 1.162 242 D HN 0.138 nan 8.370 nan 0.000 0.446 243 F N 1.492 121.472 119.950 0.050 0.000 2.404 243 F HA 0.298 4.832 4.527 0.011 0.000 0.358 243 F C 0.906 176.748 175.800 0.069 0.000 1.120 243 F CA -0.189 57.833 58.000 0.037 0.000 1.144 243 F CB 0.563 39.582 39.000 0.031 0.000 1.133 243 F HN -0.200 nan 8.300 nan 0.000 0.495 244 R N 4.002 124.630 120.500 0.213 0.000 2.854 244 R HA 0.616 4.962 4.340 0.010 0.000 0.271 244 R C -1.073 175.394 176.300 0.278 0.000 0.994 244 R CA -0.968 55.275 56.100 0.239 0.000 0.945 244 R CB 2.405 32.847 30.300 0.236 0.000 1.194 244 R HN 0.589 nan 8.270 nan 0.000 0.476 245 I N 1.349 122.086 120.570 0.278 0.000 2.410 245 I HA 0.176 4.352 4.170 0.010 0.000 0.286 245 I C 0.338 176.689 176.117 0.390 0.000 1.009 245 I CA -0.534 60.934 61.300 0.280 0.000 1.111 245 I CB 1.538 39.645 38.000 0.179 0.000 1.262 245 I HN 0.505 nan 8.210 nan 0.000 0.443 246 W N 3.219 124.582 121.300 0.105 0.000 2.381 246 W HA -0.070 4.595 4.660 0.010 0.000 0.301 246 W C 0.968 177.620 176.519 0.221 0.000 1.205 246 W CA 0.222 57.703 57.345 0.226 0.000 1.285 246 W CB -0.771 28.821 29.460 0.221 0.000 1.133 246 W HN 0.400 nan 8.180 nan 0.000 0.521 247 N N 0.269 119.159 118.700 0.316 0.000 2.492 247 N HA 0.009 4.755 4.740 0.010 0.000 0.260 247 N C 1.317 176.905 175.510 0.129 0.000 1.215 247 N CA 0.848 54.001 53.050 0.172 0.000 0.923 247 N CB 0.734 39.256 38.487 0.058 0.000 1.092 247 N HN -0.067 nan 8.380 nan 0.000 0.448 248 S N 1.062 116.829 115.700 0.111 0.000 2.406 248 S HA -0.074 4.402 4.470 0.010 0.000 0.228 248 S C 0.370 174.973 174.600 0.005 0.000 1.020 248 S CA 0.761 59.007 58.200 0.077 0.000 0.965 248 S CB 0.055 63.319 63.200 0.107 0.000 0.798 248 S HN 0.660 nan 8.310 nan 0.000 0.488 249 Q N -0.631 119.156 119.800 -0.021 0.000 2.389 249 Q HA 0.495 4.841 4.340 0.010 0.000 0.277 249 Q C 0.223 176.140 176.000 -0.139 0.000 1.082 249 Q CA -0.515 55.231 55.803 -0.096 0.000 0.810 249 Q CB 2.041 30.744 28.738 -0.059 0.000 1.374 249 Q HN 0.158 nan 8.270 nan 0.000 0.422 250 L N 0.374 121.485 121.223 -0.187 0.000 2.191 250 L HA -0.018 4.328 4.340 0.010 0.000 0.212 250 L C 0.358 177.079 176.870 -0.247 0.000 1.103 250 L CA 0.874 55.604 54.840 -0.184 0.000 0.769 250 L CB 0.082 42.013 42.059 -0.212 0.000 0.908 250 L HN 0.262 nan 8.230 nan 0.000 0.438 251 V N 0.929 120.609 119.914 -0.390 0.000 2.407 251 V HA 0.477 4.603 4.120 0.010 0.000 0.291 251 V C -0.475 175.158 176.094 -0.769 0.000 1.018 251 V CA -0.693 61.215 62.300 -0.655 0.000 0.842 251 V CB 1.656 32.883 31.823 -0.994 0.000 0.996 251 V HN 0.131 nan 8.190 nan 0.000 0.426 252 R N 3.079 123.259 120.500 -0.533 0.000 2.604 252 R HA 0.495 4.841 4.340 0.010 0.000 0.281 252 R C -1.489 174.671 176.300 -0.233 0.000 1.020 252 R CA -0.804 55.097 56.100 -0.331 0.000 0.899 252 R CB 1.906 32.133 30.300 -0.121 0.000 1.205 252 R HN 0.540 nan 8.270 nan 0.000 0.450 253 Y N 0.541 120.842 120.300 0.003 0.000 2.304 253 Y HA 0.448 5.004 4.550 0.010 0.000 0.327 253 Y C 1.152 177.025 175.900 -0.045 0.000 1.209 253 Y CA -0.591 57.519 58.100 0.018 0.000 1.299 253 Y CB 0.737 39.278 38.460 0.135 0.000 1.249 253 Y HN 0.666 nan 8.280 nan 0.000 0.519 254 A N 1.227 124.077 122.820 0.051 0.000 2.386 254 A HA 0.554 4.880 4.320 0.010 0.000 0.248 254 A C 0.588 177.957 177.584 -0.360 0.000 1.082 254 A CA 0.185 52.095 52.037 -0.210 0.000 0.789 254 A CB -0.242 18.538 19.000 -0.367 0.000 1.025 254 A HN 0.946 nan 8.150 nan 0.000 0.490 255 G N 0.803 109.411 108.800 -0.320 0.000 2.866 255 G HA2 0.517 4.483 3.960 0.010 0.000 0.318 255 G HA3 0.517 4.483 3.960 0.010 0.000 0.318 255 G C -0.807 174.007 174.900 -0.145 0.000 1.336 255 G CA -0.271 44.694 45.100 -0.226 0.000 1.067 255 G HN 0.586 nan 8.290 nan 0.000 0.515 256 Y N 1.631 121.947 120.300 0.027 0.000 2.404 256 Y HA 0.327 4.883 4.550 0.010 0.000 0.344 256 Y C 1.090 176.991 175.900 0.001 0.000 0.995 256 Y CA -1.053 57.060 58.100 0.023 0.000 1.201 256 Y CB 1.081 39.549 38.460 0.013 0.000 1.151 256 Y HN 0.384 nan 8.280 nan 0.000 0.517 257 R N 3.544 124.142 120.500 0.163 0.000 2.370 257 R HA 0.075 4.422 4.340 0.010 0.000 0.309 257 R C -0.256 176.084 176.300 0.068 0.000 1.059 257 R CA -0.088 56.062 56.100 0.084 0.000 0.981 257 R CB 0.273 30.611 30.300 0.063 0.000 0.972 257 R HN 0.580 nan 8.270 nan 0.000 0.437 258 Q N 2.263 122.089 119.800 0.045 0.000 2.222 258 Q HA 0.037 4.383 4.340 0.010 0.000 0.211 258 Q C 0.438 176.445 176.000 0.012 0.000 1.013 258 Q CA -0.326 55.491 55.803 0.024 0.000 0.993 258 Q CB 0.812 29.561 28.738 0.018 0.000 1.151 258 Q HN 0.657 nan 8.270 nan 0.000 0.544 259 Q N 0.888 120.689 119.800 0.002 0.000 2.049 259 Q HA -0.164 4.182 4.340 0.010 0.000 0.198 259 Q C 0.893 176.894 176.000 0.000 0.000 0.971 259 Q CA 2.210 58.012 55.803 -0.002 0.000 0.833 259 Q CB -0.055 28.678 28.738 -0.009 0.000 0.896 259 Q HN 0.740 nan 8.270 nan 0.000 0.434 260 D N -1.795 118.605 120.400 0.000 0.000 2.392 260 D HA 0.038 4.684 4.640 0.010 0.000 0.228 260 D C 1.140 177.442 176.300 0.004 0.000 1.003 260 D CA 0.964 54.965 54.000 0.001 0.000 0.917 260 D CB -0.023 40.777 40.800 -0.000 0.000 0.890 260 D HN 0.480 nan 8.370 nan 0.000 0.532 261 G N -0.411 108.393 108.800 0.007 0.000 2.232 261 G HA2 -0.312 3.654 3.960 0.010 0.000 0.226 261 G HA3 -0.312 3.654 3.960 0.010 0.000 0.226 261 G C 0.700 175.607 174.900 0.012 0.000 0.996 261 G CA 0.308 45.414 45.100 0.010 0.000 0.626 261 G HN 0.798 nan 8.290 nan 0.000 0.509 262 S N -0.752 114.954 115.700 0.009 0.000 2.632 262 S HA 0.667 5.143 4.470 0.010 0.000 0.254 262 S C 0.165 174.770 174.600 0.008 0.000 1.291 262 S CA 0.321 58.525 58.200 0.006 0.000 0.974 262 S CB 1.721 64.921 63.200 0.001 0.000 1.016 262 S HN 1.224 nan 8.310 nan 0.000 0.579 263 V N 0.696 120.605 119.914 -0.007 0.000 2.686 263 V HA 0.522 4.648 4.120 0.010 0.000 0.306 263 V C -0.206 175.864 176.094 -0.040 0.000 1.065 263 V CA -0.759 61.534 62.300 -0.012 0.000 0.894 263 V CB 1.678 33.480 31.823 -0.036 0.000 1.004 263 V HN 0.900 nan 8.190 nan 0.000 0.424 264 R N 2.640 123.146 120.500 0.010 0.000 2.265 264 R HA 0.696 5.042 4.340 0.010 0.000 0.319 264 R C 0.684 176.913 176.300 -0.118 0.000 1.006 264 R CA 0.934 57.031 56.100 -0.005 0.000 0.880 264 R CB 1.156 31.537 30.300 0.134 0.000 1.077 264 R HN 1.199 nan 8.270 nan 0.000 0.454 265 G N 3.056 111.695 108.800 -0.268 0.000 2.601 265 G HA2 -0.245 3.721 3.960 0.010 0.000 0.224 265 G HA3 -0.245 3.721 3.960 0.010 0.000 0.224 265 G C -1.303 173.203 174.900 -0.656 0.000 1.171 265 G CA 0.017 44.880 45.100 -0.395 0.000 1.009 265 G HN 0.625 nan 8.290 nan 0.000 0.589 266 D N 1.683 121.869 120.400 -0.357 0.000 2.414 266 D HA 0.623 5.269 4.640 0.010 0.000 0.232 266 D C -1.245 174.985 176.300 -0.116 0.000 1.070 266 D CA -2.044 51.798 54.000 -0.264 0.000 0.839 266 D CB 1.742 42.700 40.800 0.263 0.000 1.079 266 D HN -0.019 nan 8.370 nan 0.000 0.521 267 P HA -0.101 nan 4.420 nan 0.000 0.219 267 P C 0.977 178.302 177.300 0.042 0.000 1.146 267 P CA 1.035 64.117 63.100 -0.031 0.000 0.808 267 P CB 0.292 31.983 31.700 -0.016 0.000 0.779 268 A N -0.311 122.560 122.820 0.084 0.000 1.972 268 A HA -0.152 4.174 4.320 0.010 0.000 0.219 268 A C 1.573 179.224 177.584 0.112 0.000 1.169 268 A CA 1.478 53.593 52.037 0.131 0.000 0.635 268 A CB -0.939 18.170 19.000 0.181 0.000 0.810 268 A HN 0.169 nan 8.150 nan 0.000 0.446 269 N N -0.032 118.719 118.700 0.086 0.000 2.376 269 N HA 0.199 4.945 4.740 0.010 0.000 0.249 269 N C 0.925 176.450 175.510 0.024 0.000 1.140 269 N CA 0.118 53.205 53.050 0.061 0.000 0.870 269 N CB 0.812 39.333 38.487 0.057 0.000 1.124 269 N HN 0.224 nan 8.380 nan 0.000 0.505 270 V N 0.493 120.424 119.914 0.028 0.000 2.307 270 V HA -0.204 3.922 4.120 0.010 0.000 0.245 270 V C 2.427 178.531 176.094 0.018 0.000 1.045 270 V CA 1.659 63.972 62.300 0.022 0.000 1.024 270 V CB -0.282 31.559 31.823 0.029 0.000 0.651 270 V HN 0.379 nan 8.190 nan 0.000 0.449 271 E N 0.083 120.290 120.200 0.012 0.000 2.051 271 E HA -0.267 4.089 4.350 0.010 0.000 0.192 271 E C 2.086 178.611 176.600 -0.125 0.000 0.991 271 E CA 1.778 58.151 56.400 -0.045 0.000 0.799 271 E CB -0.210 29.486 29.700 -0.007 0.000 0.748 271 E HN 0.481 nan 8.360 nan 0.000 0.449 272 I N 0.612 121.136 120.570 -0.077 0.000 2.394 272 I HA -0.170 4.006 4.170 0.010 0.000 0.251 272 I C 1.946 178.035 176.117 -0.047 0.000 1.136 272 I CA 1.407 62.652 61.300 -0.092 0.000 1.425 272 I CB -0.269 37.731 38.000 0.000 0.000 1.079 272 I HN 0.107 nan 8.210 nan 0.000 0.425 273 T N 0.286 114.837 114.554 -0.005 0.000 2.737 273 T HA -0.138 4.218 4.350 0.010 0.000 0.265 273 T C 1.693 176.480 174.700 0.145 0.000 1.038 273 T CA 1.652 63.796 62.100 0.074 0.000 1.144 273 T CB -0.245 68.680 68.868 0.095 0.000 0.866 273 T HN 0.449 nan 8.240 nan 0.000 0.434 274 E N 0.724 120.974 120.200 0.084 0.000 2.204 274 E HA 0.006 4.362 4.350 0.010 0.000 0.194 274 E C 2.086 178.721 176.600 0.058 0.000 0.989 274 E CA 0.581 57.027 56.400 0.077 0.000 0.824 274 E CB -0.197 29.522 29.700 0.030 0.000 0.756 274 E HN 0.405 nan 8.360 nan 0.000 0.477 275 L N 0.020 121.249 121.223 0.010 0.000 2.179 275 L HA -0.127 4.220 4.340 0.010 0.000 0.208 275 L C 2.262 179.251 176.870 0.199 0.000 1.096 275 L CA 0.465 55.342 54.840 0.063 0.000 0.779 275 L CB -0.070 41.934 42.059 -0.092 0.000 0.922 275 L HN 0.294 nan 8.230 nan 0.000 0.443 276 C N -0.375 118.996 119.300 0.119 0.000 2.446 276 C HA -0.072 4.394 4.460 0.010 0.000 0.279 276 C C 2.633 177.799 174.990 0.294 0.000 1.366 276 C CA -0.023 59.079 59.018 0.140 0.000 1.763 276 C CB -0.510 27.221 27.740 -0.014 0.000 1.929 276 C HN 0.403 nan 8.230 nan 0.000 0.509 277 I N 0.924 121.663 120.570 0.283 0.000 2.233 277 I HA -0.148 4.028 4.170 0.010 0.000 0.243 277 I C 2.443 178.617 176.117 0.095 0.000 1.093 277 I CA 1.521 62.948 61.300 0.210 0.000 1.380 277 I CB -1.663 36.428 38.000 0.151 0.000 1.067 277 I HN 0.460 nan 8.210 nan 0.000 0.413 278 Q N -0.162 119.671 119.800 0.055 0.000 2.439 278 Q HA -0.193 4.153 4.340 0.010 0.000 0.211 278 Q C 1.027 176.890 176.000 -0.228 0.000 0.978 278 Q CA 1.095 56.849 55.803 -0.082 0.000 0.897 278 Q CB -0.195 28.474 28.738 -0.115 0.000 0.956 278 Q HN 0.649 nan 8.270 nan 0.000 0.483 279 H N -1.735 117.328 119.070 -0.012 0.000 2.542 279 H HA 0.245 4.807 4.556 0.010 0.000 0.283 279 H C 0.739 176.046 175.328 -0.035 0.000 1.059 279 H CA 0.465 56.481 56.048 -0.054 0.000 1.162 279 H CB 1.138 30.827 29.762 -0.122 0.000 1.539 279 H HN 0.328 nan 8.280 nan 0.000 0.543 280 G N -0.155 108.687 108.800 0.070 0.000 2.148 280 G HA2 -0.246 3.720 3.960 0.010 0.000 0.203 280 G HA3 -0.246 3.720 3.960 0.010 0.000 0.203 280 G C -0.263 174.706 174.900 0.115 0.000 0.993 280 G CA -0.199 44.930 45.100 0.048 0.000 0.661 280 G HN 0.330 nan 8.290 nan 0.000 0.518 281 W N 1.956 123.240 121.300 -0.027 0.000 2.315 281 W HA 0.677 5.343 4.660 0.011 0.000 0.316 281 W C 0.182 176.694 176.519 -0.011 0.000 1.211 281 W CA -0.147 57.185 57.345 -0.022 0.000 1.201 281 W CB 1.151 30.609 29.460 -0.003 0.000 1.184 281 W HN 0.018 nan 8.180 nan 0.000 0.544 282 T N 9.390 123.549 114.554 -0.659 0.000 2.875 282 T HA 0.175 4.531 4.350 0.010 0.000 0.307 282 T C -2.133 171.795 174.700 -1.287 0.000 1.013 282 T CA -0.938 60.752 62.100 -0.684 0.000 0.970 282 T CB 0.122 68.758 68.868 -0.387 0.000 0.986 282 T HN 0.210 nan 8.240 nan 0.000 0.536 283 P HA 0.179 nan 4.420 nan 0.000 0.266 283 P C 0.469 177.366 177.300 -0.672 0.000 1.195 283 P CA -0.080 62.328 63.100 -1.153 0.000 0.768 283 P CB 0.898 32.312 31.700 -0.476 0.000 0.838 284 G N 1.813 110.376 108.800 -0.394 0.000 2.695 284 G HA2 0.276 4.242 3.960 0.010 0.000 0.213 284 G HA3 0.276 4.242 3.960 0.010 0.000 0.213 284 G C 0.211 174.884 174.900 -0.378 0.000 1.406 284 G CA -0.550 44.446 45.100 -0.174 0.000 1.049 284 G HN 0.759 nan 8.290 nan 0.000 0.573 285 N N -1.582 117.030 118.700 -0.146 0.000 2.261 285 N HA 0.206 4.952 4.740 0.010 0.000 0.241 285 N C 0.554 176.150 175.510 0.143 0.000 1.374 285 N CA -0.304 52.600 53.050 -0.243 0.000 0.802 285 N CB 0.657 39.002 38.487 -0.237 0.000 1.339 285 N HN 0.650 nan 8.380 nan 0.000 0.498 286 G N 0.642 109.629 108.800 0.312 0.000 2.588 286 G HA2 0.175 4.142 3.960 0.010 0.000 0.281 286 G HA3 0.175 4.142 3.960 0.010 0.000 0.281 286 G C 0.302 175.294 174.900 0.153 0.000 1.236 286 G CA -0.588 44.638 45.100 0.210 0.000 0.969 286 G HN 0.167 nan 8.290 nan 0.000 0.504 287 R N -1.387 119.098 120.500 -0.026 0.000 2.254 287 R HA 0.198 4.544 4.340 0.010 0.000 0.195 287 R C -0.089 175.765 176.300 -0.744 0.000 0.957 287 R CA 0.286 56.179 56.100 -0.346 0.000 1.024 287 R CB 0.073 30.127 30.300 -0.410 0.000 0.952 287 R HN 0.417 nan 8.270 nan 0.000 0.484 288 F N 0.795 120.665 119.950 -0.133 0.000 2.576 288 F HA 0.281 4.814 4.527 0.010 0.000 0.365 288 F C -0.958 174.712 175.800 -0.218 0.000 1.506 288 F CA -1.074 56.584 58.000 -0.569 0.000 1.113 288 F CB 0.814 39.336 39.000 -0.797 0.000 1.293 288 F HN -0.268 nan 8.300 nan 0.000 0.540 289 D N 1.596 122.097 120.400 0.168 0.000 2.277 289 D HA 0.223 4.869 4.640 0.010 0.000 0.249 289 D C 0.159 176.680 176.300 0.368 0.000 1.134 289 D CA 0.028 54.213 54.000 0.307 0.000 0.863 289 D CB 2.526 43.567 40.800 0.401 0.000 1.143 289 D HN -0.058 nan 8.370 nan 0.000 0.458 290 V N 3.635 123.741 119.914 0.321 0.000 2.521 290 V HA 0.050 4.176 4.120 0.010 0.000 0.286 290 V C 0.909 176.988 176.094 -0.025 0.000 1.034 290 V CA -0.359 62.033 62.300 0.153 0.000 1.045 290 V CB 0.339 32.214 31.823 0.086 0.000 0.974 290 V HN 0.322 nan 8.190 nan 0.000 0.480 291 L N 8.138 129.253 121.223 -0.180 0.000 2.453 291 L HA 0.382 4.728 4.340 0.010 0.000 0.261 291 L C -1.736 174.877 176.870 -0.429 0.000 1.179 291 L CA -1.373 53.195 54.840 -0.453 0.000 0.813 291 L CB 0.835 42.673 42.059 -0.368 0.000 1.110 291 L HN 0.482 nan 8.230 nan 0.000 0.466 292 P HA 0.272 nan 4.420 nan 0.000 0.278 292 P C -1.211 175.936 177.300 -0.255 0.000 1.258 292 P CA -0.544 62.312 63.100 -0.407 0.000 0.811 292 P CB 1.123 32.476 31.700 -0.579 0.000 1.063 293 L N 1.190 122.351 121.223 -0.104 0.000 2.307 293 L HA 0.396 4.742 4.340 0.010 0.000 0.282 293 L C 0.494 177.342 176.870 -0.036 0.000 1.051 293 L CA -0.787 54.036 54.840 -0.027 0.000 0.804 293 L CB 0.684 42.794 42.059 0.083 0.000 1.197 293 L HN 0.211 nan 8.230 nan 0.000 0.431 294 L N 5.126 126.307 121.223 -0.070 0.000 2.297 294 L HA 0.414 4.760 4.340 0.010 0.000 0.277 294 L C -0.486 176.283 176.870 -0.170 0.000 1.040 294 L CA -0.210 54.490 54.840 -0.233 0.000 0.867 294 L CB 0.620 42.434 42.059 -0.408 0.000 1.244 294 L HN 0.441 nan 8.230 nan 0.000 0.433 295 L N 3.587 124.779 121.223 -0.052 0.000 2.312 295 L HA 0.446 4.792 4.340 0.010 0.000 0.281 295 L C -0.024 176.801 176.870 -0.074 0.000 1.070 295 L CA -0.253 54.584 54.840 -0.005 0.000 0.805 295 L CB 1.421 43.502 42.059 0.037 0.000 1.174 295 L HN 0.558 nan 8.230 nan 0.000 0.434 296 Q N 2.893 122.674 119.800 -0.031 0.000 2.347 296 Q HA 0.598 4.945 4.340 0.010 0.000 0.265 296 Q C -1.082 174.835 176.000 -0.138 0.000 1.024 296 Q CA -0.564 55.211 55.803 -0.048 0.000 0.731 296 Q CB 1.900 30.708 28.738 0.118 0.000 1.245 296 Q HN 0.785 nan 8.270 nan 0.000 0.472 297 A N 4.837 127.519 122.820 -0.229 0.000 2.332 297 A HA 0.594 4.920 4.320 0.010 0.000 0.258 297 A C -2.357 174.937 177.584 -0.483 0.000 1.087 297 A CA -1.394 50.324 52.037 -0.532 0.000 0.802 297 A CB -0.055 18.755 19.000 -0.317 0.000 1.042 297 A HN 0.642 nan 8.150 nan 0.000 0.489 298 P HA 0.023 nan 4.420 nan 0.000 0.261 298 P C -0.591 176.613 177.300 -0.159 0.000 1.173 298 P CA 0.801 63.696 63.100 -0.341 0.000 0.760 298 P CB 0.133 31.657 31.700 -0.294 0.000 0.783 299 D N 0.215 120.566 120.400 -0.081 0.000 2.882 299 D HA -0.205 4.441 4.640 0.010 0.000 0.229 299 D C -0.204 176.080 176.300 -0.026 0.000 1.167 299 D CA 1.339 55.319 54.000 -0.032 0.000 0.759 299 D CB -0.847 39.939 40.800 -0.023 0.000 1.088 299 D HN 0.580 nan 8.370 nan 0.000 0.425 300 E N -0.783 119.395 120.200 -0.038 0.000 2.317 300 E HA 0.641 4.997 4.350 0.010 0.000 0.270 300 E C -0.186 176.407 176.600 -0.011 0.000 0.885 300 E CA -0.805 55.578 56.400 -0.029 0.000 0.760 300 E CB 1.842 31.509 29.700 -0.055 0.000 1.227 300 E HN 0.151 nan 8.360 nan 0.000 0.434 301 A N 3.113 125.930 122.820 -0.004 0.000 2.466 301 A HA 0.290 4.616 4.320 0.010 0.000 0.238 301 A C -2.078 175.442 177.584 -0.107 0.000 1.074 301 A CA -0.875 51.160 52.037 -0.003 0.000 0.774 301 A CB -0.372 18.639 19.000 0.018 0.000 1.015 301 A HN 0.337 nan 8.150 nan 0.000 0.498 302 P HA 0.194 nan 4.420 nan 0.000 0.271 302 P C -0.598 176.491 177.300 -0.351 0.000 1.216 302 P CA 0.104 62.927 63.100 -0.462 0.000 0.771 302 P CB 0.773 31.782 31.700 -1.153 0.000 0.864 303 E N 1.124 121.183 120.200 -0.235 0.000 2.250 303 E HA 0.429 4.785 4.350 0.010 0.000 0.269 303 E C -0.661 175.725 176.600 -0.357 0.000 1.018 303 E CA -0.939 55.303 56.400 -0.265 0.000 0.873 303 E CB 0.948 30.530 29.700 -0.196 0.000 1.134 303 E HN 0.285 nan 8.360 nan 0.000 0.403 304 L N 2.465 123.371 121.223 -0.528 0.000 2.307 304 L HA 0.473 4.819 4.340 0.010 0.000 0.284 304 L C -1.625 174.767 176.870 -0.798 0.000 1.023 304 L CA -0.090 54.472 54.840 -0.463 0.000 0.810 304 L CB 0.508 42.402 42.059 -0.275 0.000 1.231 304 L HN 0.396 nan 8.230 nan 0.000 0.423 305 F N 3.785 123.523 119.950 -0.353 0.000 2.556 305 F HA 0.555 5.089 4.527 0.011 0.000 0.314 305 F C -0.312 175.244 175.800 -0.406 0.000 1.106 305 F CA -0.903 56.751 58.000 -0.577 0.000 0.911 305 F CB 2.067 40.385 39.000 -1.136 0.000 1.190 305 F HN 0.002 nan 8.300 nan 0.000 0.448 306 V N 4.697 124.516 119.914 -0.158 0.000 2.350 306 V HA 0.287 4.413 4.120 0.010 0.000 0.276 306 V C 0.070 176.256 176.094 0.153 0.000 1.028 306 V CA -0.778 61.522 62.300 -0.000 0.000 0.860 306 V CB 1.170 33.026 31.823 0.056 0.000 0.990 306 V HN 0.539 nan 8.190 nan 0.000 0.453 307 L N 7.659 129.003 121.223 0.201 0.000 2.513 307 L HA 0.185 4.531 4.340 0.010 0.000 0.272 307 L C -2.040 174.941 176.870 0.184 0.000 1.187 307 L CA -1.268 53.734 54.840 0.269 0.000 0.895 307 L CB 0.189 42.332 42.059 0.141 0.000 1.147 307 L HN 0.419 nan 8.230 nan 0.000 0.483 308 P HA 0.040 nan 4.420 nan 0.000 0.261 308 P C -1.945 175.405 177.300 0.084 0.000 1.203 308 P CA -0.856 62.319 63.100 0.124 0.000 0.767 308 P CB 0.396 32.158 31.700 0.102 0.000 0.785 309 P HA -0.268 nan 4.420 nan 0.000 0.218 309 P C 1.417 178.748 177.300 0.052 0.000 1.150 309 P CA 1.420 64.562 63.100 0.070 0.000 0.841 309 P CB -0.129 31.616 31.700 0.075 0.000 0.784 310 E N -0.165 120.062 120.200 0.045 0.000 2.150 310 E HA -0.138 4.218 4.350 0.010 0.000 0.193 310 E C 1.921 178.536 176.600 0.025 0.000 0.985 310 E CA 1.097 57.516 56.400 0.032 0.000 0.814 310 E CB -1.239 28.478 29.700 0.028 0.000 0.752 310 E HN 0.305 nan 8.360 nan 0.000 0.466 311 L N 1.215 122.452 121.223 0.024 0.000 2.156 311 L HA -0.010 4.336 4.340 0.010 0.000 0.208 311 L C 1.110 177.989 176.870 0.014 0.000 1.095 311 L CA 0.415 55.262 54.840 0.012 0.000 0.770 311 L CB -0.027 42.029 42.059 -0.006 0.000 0.914 311 L HN -0.074 nan 8.230 nan 0.000 0.439 312 V N 2.493 122.418 119.914 0.019 0.000 2.223 312 V HA 0.064 4.190 4.120 0.010 0.000 0.249 312 V C 0.270 176.387 176.094 0.038 0.000 1.233 312 V CA -0.451 61.858 62.300 0.015 0.000 1.131 312 V CB 0.218 32.043 31.823 0.003 0.000 1.298 312 V HN 0.096 nan 8.190 nan 0.000 0.498 313 L N 4.765 126.014 121.223 0.044 0.000 2.455 313 L HA 0.330 4.676 4.340 0.010 0.000 0.272 313 L C 0.261 177.165 176.870 0.057 0.000 1.174 313 L CA 0.903 55.766 54.840 0.038 0.000 0.869 313 L CB 0.233 42.310 42.059 0.030 0.000 1.130 313 L HN 0.636 nan 8.230 nan 0.000 0.474 314 E N 3.200 123.414 120.200 0.022 0.000 2.359 314 E HA 0.656 5.012 4.350 0.010 0.000 0.266 314 E C -1.518 175.028 176.600 -0.090 0.000 0.920 314 E CA -1.077 55.332 56.400 0.016 0.000 0.788 314 E CB 2.343 32.077 29.700 0.056 0.000 1.279 314 E HN 0.369 nan 8.360 nan 0.000 0.438 315 V N 2.104 121.931 119.914 -0.144 0.000 2.443 315 V HA 0.321 4.447 4.120 0.010 0.000 0.293 315 V C -2.514 173.501 176.094 -0.133 0.000 1.021 315 V CA -1.943 60.209 62.300 -0.246 0.000 0.848 315 V CB 1.420 32.857 31.823 -0.642 0.000 0.998 315 V HN 0.515 nan 8.190 nan 0.000 0.424 316 P HA 0.360 nan 4.420 nan 0.000 0.275 316 P C -0.727 176.572 177.300 -0.002 0.000 1.227 316 P CA -0.185 62.882 63.100 -0.055 0.000 0.781 316 P CB 0.688 32.367 31.700 -0.035 0.000 0.906 317 L N 3.263 124.525 121.223 0.065 0.000 2.307 317 L HA 0.516 4.862 4.340 0.010 0.000 0.282 317 L C 0.906 177.898 176.870 0.204 0.000 1.051 317 L CA -0.239 54.686 54.840 0.142 0.000 0.804 317 L CB 0.778 42.982 42.059 0.242 0.000 1.197 317 L HN 0.488 nan 8.230 nan 0.000 0.431 318 E N 1.429 121.693 120.200 0.107 0.000 2.408 318 E HA 0.402 4.758 4.350 0.010 0.000 0.275 318 E C -1.369 175.135 176.600 -0.160 0.000 0.935 318 E CA -0.949 55.507 56.400 0.094 0.000 0.775 318 E CB 2.114 31.879 29.700 0.108 0.000 1.277 318 E HN 0.471 nan 8.360 nan 0.000 0.455 319 H N 1.540 120.382 119.070 -0.380 0.000 2.479 319 H HA 0.239 4.801 4.556 0.010 0.000 0.335 319 H C -1.717 173.236 175.328 -0.624 0.000 1.142 319 H CA -2.273 53.419 56.048 -0.594 0.000 1.234 319 H CB 1.985 31.374 29.762 -0.623 0.000 1.503 319 H HN 0.445 nan 8.280 nan 0.000 0.510 320 P HA -0.095 nan 4.420 nan 0.000 0.221 320 P C 0.870 178.000 177.300 -0.283 0.000 1.150 320 P CA 1.520 64.093 63.100 -0.879 0.000 0.800 320 P CB 0.515 31.725 31.700 -0.817 0.000 0.787 321 T N -4.566 110.001 114.554 0.022 0.000 3.010 321 T HA 0.193 4.549 4.350 0.010 0.000 0.252 321 T C 0.846 175.510 174.700 -0.059 0.000 0.963 321 T CA -0.218 61.896 62.100 0.024 0.000 0.952 321 T CB -0.585 68.307 68.868 0.040 0.000 1.182 321 T HN -0.075 nan 8.240 nan 0.000 0.495 322 L N 2.915 124.020 121.223 -0.196 0.000 2.385 322 L HA 0.359 4.705 4.340 0.010 0.000 0.285 322 L C 1.212 177.710 176.870 -0.620 0.000 1.125 322 L CA -0.241 54.205 54.840 -0.658 0.000 0.890 322 L CB 0.392 41.679 42.059 -1.287 0.000 1.251 322 L HN 0.302 nan 8.230 nan 0.000 0.445 323 E N 3.263 123.269 120.200 -0.323 0.000 2.209 323 E HA -0.209 4.147 4.350 0.010 0.000 0.196 323 E C 1.521 178.084 176.600 -0.060 0.000 0.993 323 E CA 1.487 57.810 56.400 -0.127 0.000 0.819 323 E CB 0.029 29.731 29.700 0.004 0.000 0.745 323 E HN 0.812 nan 8.360 nan 0.000 0.477 324 W N -0.243 121.106 121.300 0.082 0.000 2.678 324 W HA 0.033 4.699 4.660 0.011 0.000 0.256 324 W C 1.483 178.059 176.519 0.096 0.000 1.280 324 W CA -0.257 57.127 57.345 0.066 0.000 1.345 324 W CB -0.904 28.570 29.460 0.024 0.000 1.118 324 W HN -0.044 nan 8.180 nan 0.000 0.629 325 F N 2.972 122.692 119.950 -0.383 0.000 2.126 325 F HA -0.166 4.367 4.527 0.010 0.000 0.299 325 F C 2.692 178.511 175.800 0.031 0.000 1.096 325 F CA 2.995 60.886 58.000 -0.181 0.000 1.255 325 F CB -0.408 38.355 39.000 -0.395 0.000 0.997 325 F HN -0.083 nan 8.300 nan 0.000 0.479 326 A N -0.046 122.931 122.820 0.262 0.000 2.024 326 A HA -0.107 4.219 4.320 0.010 0.000 0.220 326 A C 2.220 179.891 177.584 0.145 0.000 1.164 326 A CA 1.501 53.659 52.037 0.201 0.000 0.643 326 A CB -1.318 17.759 19.000 0.129 0.000 0.806 326 A HN 0.448 nan 8.150 nan 0.000 0.451 327 A N -1.128 121.780 122.820 0.147 0.000 2.168 327 A HA 0.196 4.522 4.320 0.010 0.000 0.215 327 A C 1.733 179.376 177.584 0.099 0.000 1.152 327 A CA 0.962 53.073 52.037 0.123 0.000 0.716 327 A CB -0.342 18.745 19.000 0.145 0.000 0.794 327 A HN 0.362 nan 8.150 nan 0.000 0.465 328 L N -0.834 120.434 121.223 0.075 0.000 2.275 328 L HA 0.077 4.423 4.340 0.010 0.000 0.215 328 L C 1.880 178.797 176.870 0.078 0.000 1.119 328 L CA 1.317 56.174 54.840 0.029 0.000 0.790 328 L CB -0.991 40.988 42.059 -0.133 0.000 0.919 328 L HN 0.647 nan 8.230 nan 0.000 0.443 329 G N -0.595 108.256 108.800 0.085 0.000 2.176 329 G HA2 -0.284 3.682 3.960 0.010 0.000 0.252 329 G HA3 -0.284 3.682 3.960 0.010 0.000 0.252 329 G C 0.293 175.233 174.900 0.067 0.000 1.024 329 G CA 0.283 45.436 45.100 0.089 0.000 0.755 329 G HN 0.297 nan 8.290 nan 0.000 0.507 330 L N -0.054 121.201 121.223 0.053 0.000 2.395 330 L HA 0.765 5.111 4.340 0.010 0.000 0.269 330 L C 1.115 177.845 176.870 -0.234 0.000 1.133 330 L CA -0.582 54.241 54.840 -0.030 0.000 0.812 330 L CB 0.892 43.038 42.059 0.145 0.000 1.125 330 L HN 0.550 nan 8.230 nan 0.000 0.452 331 R N 1.778 121.910 120.500 -0.614 0.000 2.716 331 R HA 0.513 4.859 4.340 0.010 0.000 0.271 331 R C -2.098 174.115 176.300 -0.145 0.000 1.028 331 R CA -1.021 54.845 56.100 -0.391 0.000 0.883 331 R CB 1.874 31.879 30.300 -0.492 0.000 1.250 331 R HN 0.613 nan 8.270 nan 0.000 0.465 332 W N 1.909 123.144 121.300 -0.108 0.000 3.167 332 W HA 0.332 4.998 4.660 0.010 0.000 0.324 332 W C -1.217 175.346 176.519 0.072 0.000 1.230 332 W CA -0.996 56.354 57.345 0.009 0.000 1.184 332 W CB 2.041 31.431 29.460 -0.116 0.000 1.414 332 W HN 0.699 nan 8.180 nan 0.000 0.551 333 Y N 1.239 121.389 120.300 -0.250 0.000 2.301 333 Y HA 0.541 5.097 4.550 0.010 0.000 0.328 333 Y C 0.749 176.858 175.900 0.349 0.000 1.242 333 Y CA 0.093 58.175 58.100 -0.028 0.000 1.323 333 Y CB 0.323 38.641 38.460 -0.237 0.000 1.266 333 Y HN 0.349 nan 8.280 nan 0.000 0.527 334 A N 2.538 125.620 122.820 0.437 0.000 2.021 334 A HA 0.084 4.410 4.320 0.010 0.000 0.216 334 A C 0.497 178.405 177.584 0.540 0.000 1.163 334 A CA 0.227 52.580 52.037 0.528 0.000 0.676 334 A CB -0.289 18.873 19.000 0.268 0.000 0.818 334 A HN 0.685 nan 8.150 nan 0.000 0.453 335 L N 2.097 123.589 121.223 0.449 0.000 2.257 335 L HA 0.410 4.756 4.340 0.010 0.000 0.290 335 L C -2.539 174.469 176.870 0.231 0.000 1.044 335 L CA -2.114 52.887 54.840 0.268 0.000 0.810 335 L CB 1.422 43.564 42.059 0.139 0.000 1.193 335 L HN -0.011 nan 8.230 nan 0.000 0.425 336 P HA 0.375 nan 4.420 nan 0.000 0.298 336 P C -1.582 175.613 177.300 -0.175 0.000 1.365 336 P CA -0.419 62.562 63.100 -0.198 0.000 0.835 336 P CB 1.485 32.700 31.700 -0.808 0.000 0.948 337 A N 4.489 127.204 122.820 -0.175 0.000 2.410 337 A HA 0.425 4.751 4.320 0.010 0.000 0.289 337 A C -0.235 177.101 177.584 -0.413 0.000 1.200 337 A CA -0.658 51.193 52.037 -0.310 0.000 0.751 337 A CB 0.911 19.728 19.000 -0.305 0.000 1.161 337 A HN 0.298 nan 8.150 nan 0.000 0.459 338 V N 2.639 122.129 119.914 -0.706 0.000 2.655 338 V HA 0.265 4.391 4.120 0.010 0.000 0.300 338 V C 1.248 176.957 176.094 -0.641 0.000 1.044 338 V CA 1.315 63.198 62.300 -0.695 0.000 1.095 338 V CB 1.359 32.593 31.823 -0.982 0.000 0.952 338 V HN 1.161 nan 8.190 nan 0.000 0.485 339 S N 1.130 116.653 115.700 -0.296 0.000 2.787 339 S HA 0.067 4.543 4.470 0.010 0.000 0.255 339 S C 0.709 175.304 174.600 -0.007 0.000 1.051 339 S CA -0.022 58.094 58.200 -0.140 0.000 1.124 339 S CB -0.060 63.094 63.200 -0.076 0.000 1.104 339 S HN 0.819 nan 8.310 nan 0.000 0.623 340 N N 1.063 119.763 118.700 -0.000 0.000 2.187 340 N HA 0.304 5.050 4.740 0.010 0.000 0.212 340 N C -0.039 175.530 175.510 0.098 0.000 1.152 340 N CA -0.330 52.758 53.050 0.062 0.000 0.872 340 N CB -0.216 38.307 38.487 0.061 0.000 1.025 340 N HN 0.358 nan 8.380 nan 0.000 0.514 341 M N 0.817 120.487 119.600 0.116 0.000 2.342 341 M HA 0.306 4.792 4.480 0.010 0.000 0.332 341 M C -0.340 176.102 176.300 0.236 0.000 1.166 341 M CA -0.837 54.577 55.300 0.191 0.000 1.086 341 M CB 2.178 34.923 32.600 0.241 0.000 1.541 341 M HN 0.090 nan 8.290 nan 0.000 0.462 342 L N 3.433 124.779 121.223 0.205 0.000 2.289 342 L HA 0.508 4.854 4.340 0.010 0.000 0.285 342 L C -1.264 175.724 176.870 0.197 0.000 1.049 342 L CA -0.869 54.082 54.840 0.184 0.000 0.804 342 L CB 1.020 43.143 42.059 0.106 0.000 1.195 342 L HN 0.607 nan 8.230 nan 0.000 0.428 343 L N 5.318 126.650 121.223 0.181 0.000 2.265 343 L HA 0.464 4.810 4.340 0.010 0.000 0.289 343 L C -0.536 176.340 176.870 0.010 0.000 1.033 343 L CA 0.237 55.070 54.840 -0.012 0.000 0.814 343 L CB 1.114 43.141 42.059 -0.053 0.000 1.203 343 L HN 0.665 nan 8.230 nan 0.000 0.423 344 E N 6.492 126.621 120.200 -0.117 0.000 2.158 344 E HA 0.412 4.768 4.350 0.010 0.000 0.271 344 E C -1.570 174.934 176.600 -0.159 0.000 0.911 344 E CA -0.448 55.905 56.400 -0.078 0.000 0.767 344 E CB 1.228 30.884 29.700 -0.073 0.000 1.120 344 E HN 0.738 nan 8.360 nan 0.000 0.405 345 I N 2.658 123.143 120.570 -0.142 0.000 2.500 345 I HA 0.246 4.422 4.170 0.010 0.000 0.286 345 I C 0.752 176.681 176.117 -0.312 0.000 1.063 345 I CA -0.719 60.377 61.300 -0.340 0.000 1.062 345 I CB 1.964 39.677 38.000 -0.478 0.000 1.223 345 I HN 0.807 nan 8.210 nan 0.000 0.435 346 G N 4.282 112.957 108.800 -0.208 0.000 2.379 346 G HA2 -0.127 3.839 3.960 0.010 0.000 0.297 346 G HA3 -0.127 3.839 3.960 0.010 0.000 0.297 346 G C 1.040 176.020 174.900 0.133 0.000 1.004 346 G CA 0.906 46.065 45.100 0.099 0.000 0.921 346 G HN 1.500 nan 8.290 nan 0.000 0.511 347 G N -1.606 107.211 108.800 0.028 0.000 2.336 347 G HA2 -0.257 3.709 3.960 0.010 0.000 0.233 347 G HA3 -0.257 3.709 3.960 0.010 0.000 0.233 347 G C 0.649 175.492 174.900 -0.096 0.000 1.053 347 G CA 0.289 45.395 45.100 0.010 0.000 0.625 347 G HN 1.292 nan 8.290 nan 0.000 0.511 348 L N 1.439 122.545 121.223 -0.194 0.000 2.456 348 L HA 0.399 4.745 4.340 0.010 0.000 0.272 348 L C 0.376 177.087 176.870 -0.264 0.000 1.189 348 L CA 0.317 54.945 54.840 -0.353 0.000 0.846 348 L CB 0.539 42.294 42.059 -0.507 0.000 1.111 348 L HN 0.300 nan 8.230 nan 0.000 0.475 349 E N 3.243 123.239 120.200 -0.340 0.000 2.165 349 E HA 0.320 4.676 4.350 0.010 0.000 0.266 349 E C -1.354 175.074 176.600 -0.286 0.000 0.889 349 E CA -0.385 55.898 56.400 -0.195 0.000 0.756 349 E CB 1.461 31.091 29.700 -0.117 0.000 1.131 349 E HN 0.294 nan 8.360 nan 0.000 0.411 350 F N 2.280 122.196 119.950 -0.057 0.000 2.329 350 F HA 0.064 4.598 4.527 0.011 0.000 0.362 350 F C 1.725 177.560 175.800 0.058 0.000 1.113 350 F CA -0.387 57.607 58.000 -0.009 0.000 1.212 350 F CB 0.866 39.843 39.000 -0.039 0.000 1.509 350 F HN 0.456 nan 8.300 nan 0.000 0.546 351 S N 1.656 117.467 115.700 0.184 0.000 2.400 351 S HA -0.056 4.421 4.470 0.010 0.000 0.232 351 S C 0.942 175.684 174.600 0.236 0.000 1.025 351 S CA 0.656 58.962 58.200 0.177 0.000 0.993 351 S CB -0.080 63.204 63.200 0.139 0.000 0.808 351 S HN 0.471 nan 8.310 nan 0.000 0.478 352 A N 0.316 123.328 122.820 0.320 0.000 2.310 352 A HA 0.837 5.163 4.320 0.010 0.000 0.304 352 A C -0.094 177.751 177.584 0.435 0.000 1.231 352 A CA -0.194 52.078 52.037 0.392 0.000 0.799 352 A CB 1.037 20.303 19.000 0.443 0.000 1.162 352 A HN 1.157 nan 8.150 nan 0.000 0.486 353 A N 4.225 127.230 122.820 0.310 0.000 3.464 353 A HA 0.579 4.905 4.320 0.010 0.000 0.243 353 A C -2.918 174.791 177.584 0.208 0.000 1.100 353 A CA -0.830 51.323 52.037 0.193 0.000 0.957 353 A CB 0.238 19.347 19.000 0.182 0.000 1.340 353 A HN 0.550 nan 8.150 nan 0.000 0.645 354 P HA 0.326 nan 4.420 nan 0.000 0.264 354 P C -0.713 176.620 177.300 0.056 0.000 1.183 354 P CA 0.646 63.722 63.100 -0.040 0.000 0.763 354 P CB 0.122 31.783 31.700 -0.065 0.000 0.807 355 F N -0.056 119.857 119.950 -0.061 0.000 2.588 355 F HA 0.766 5.298 4.527 0.009 0.000 0.314 355 F C -0.633 175.077 175.800 -0.149 0.000 1.069 355 F CA -1.225 56.727 58.000 -0.079 0.000 0.931 355 F CB 1.667 40.499 39.000 -0.281 0.000 1.260 355 F HN 0.409 nan 8.300 nan 0.000 0.465 356 S N 0.494 116.263 115.700 0.116 0.000 2.556 356 S HA 0.960 5.436 4.470 0.010 0.000 0.271 356 S C -0.747 173.802 174.600 -0.085 0.000 1.135 356 S CA -0.176 58.017 58.200 -0.011 0.000 0.858 356 S CB 1.512 64.749 63.200 0.063 0.000 1.114 356 S HN 1.474 nan 8.310 nan 0.000 0.468 357 G N -0.013 108.686 108.800 -0.169 0.000 3.310 357 G HA2 0.742 4.708 3.960 0.010 0.000 0.174 357 G HA3 0.742 4.708 3.960 0.010 0.000 0.174 357 G C -1.651 173.218 174.900 -0.051 0.000 1.097 357 G CA -0.401 44.529 45.100 -0.284 0.000 0.795 357 G HN 1.141 nan 8.290 nan 0.000 0.670 358 W N -1.260 120.034 121.300 -0.011 0.000 3.033 358 W HA 0.810 5.475 4.660 0.008 0.000 0.336 358 W C -1.596 174.917 176.519 -0.010 0.000 1.173 358 W CA -2.249 55.103 57.345 0.012 0.000 1.185 358 W CB 0.376 29.886 29.460 0.084 0.000 1.425 358 W HN 0.419 nan 8.180 nan 0.000 0.536 359 Y N 2.899 123.372 120.300 0.290 0.000 2.457 359 Y HA 0.210 4.766 4.550 0.011 0.000 0.341 359 Y C 0.895 176.850 175.900 0.093 0.000 1.240 359 Y CA -0.441 57.716 58.100 0.095 0.000 1.437 359 Y CB 0.929 39.345 38.460 -0.073 0.000 1.328 359 Y HN 0.499 nan 8.280 nan 0.000 0.588 360 M N 2.160 121.902 119.600 0.237 0.000 2.149 360 M HA 0.227 4.713 4.480 0.010 0.000 0.342 360 M C 0.949 177.241 176.300 -0.012 0.000 1.068 360 M CA -0.402 54.969 55.300 0.119 0.000 0.991 360 M CB 1.272 33.927 32.600 0.091 0.000 1.596 360 M HN 0.823 nan 8.290 nan 0.000 0.439 361 S N 1.593 117.244 115.700 -0.082 0.000 2.421 361 S HA -0.238 4.238 4.470 0.010 0.000 0.239 361 S C 1.456 175.920 174.600 -0.227 0.000 1.054 361 S CA 2.432 60.511 58.200 -0.202 0.000 1.035 361 S CB -1.512 61.615 63.200 -0.122 0.000 0.840 361 S HN 0.935 nan 8.310 nan 0.000 0.475 362 T N -0.592 113.857 114.554 -0.173 0.000 2.962 362 T HA 0.040 4.396 4.350 0.010 0.000 0.270 362 T C 1.551 176.096 174.700 -0.258 0.000 1.088 362 T CA 1.096 63.045 62.100 -0.251 0.000 1.127 362 T CB -0.502 68.177 68.868 -0.315 0.000 0.883 362 T HN 0.597 nan 8.240 nan 0.000 0.493 363 E N 0.758 120.825 120.200 -0.222 0.000 2.077 363 E HA -0.027 4.329 4.350 0.010 0.000 0.193 363 E C 2.012 178.329 176.600 -0.472 0.000 0.989 363 E CA 1.330 57.598 56.400 -0.220 0.000 0.800 363 E CB -0.209 29.503 29.700 0.020 0.000 0.746 363 E HN 0.600 nan 8.360 nan 0.000 0.452 364 I N -0.096 120.060 120.570 -0.690 0.000 2.270 364 I HA -0.052 4.124 4.170 0.010 0.000 0.239 364 I C 2.565 178.314 176.117 -0.614 0.000 1.080 364 I CA 0.885 61.600 61.300 -0.975 0.000 1.383 364 I CB -0.524 36.825 38.000 -1.085 0.000 1.097 364 I HN 0.112 nan 8.210 nan 0.000 0.420 365 G N 0.073 108.622 108.800 -0.418 0.000 2.448 365 G HA2 -0.161 3.805 3.960 0.010 0.000 0.219 365 G HA3 -0.161 3.805 3.960 0.010 0.000 0.219 365 G C 1.581 176.360 174.900 -0.201 0.000 1.127 365 G CA 1.508 46.458 45.100 -0.250 0.000 0.766 365 G HN 0.312 nan 8.290 nan 0.000 0.552 366 T N -0.644 113.767 114.554 -0.239 0.000 3.071 366 T HA 0.134 4.490 4.350 0.010 0.000 0.239 366 T C 2.476 177.061 174.700 -0.192 0.000 0.997 366 T CA 0.008 61.991 62.100 -0.196 0.000 1.134 366 T CB 0.231 68.969 68.868 -0.216 0.000 0.928 366 T HN 0.013 nan 8.240 nan 0.000 0.453 367 R N 2.089 122.453 120.500 -0.227 0.000 2.052 367 R HA 0.214 4.560 4.340 0.010 0.000 0.224 367 R C 2.084 178.264 176.300 -0.202 0.000 1.149 367 R CA 0.962 56.939 56.100 -0.205 0.000 0.962 367 R CB -1.071 29.114 30.300 -0.190 0.000 0.856 367 R HN 0.301 nan 8.270 nan 0.000 0.433 368 N N 1.032 119.564 118.700 -0.280 0.000 2.142 368 N HA -0.061 4.685 4.740 0.010 0.000 0.186 368 N C 1.940 177.372 175.510 -0.130 0.000 1.023 368 N CA 1.017 53.905 53.050 -0.271 0.000 0.852 368 N CB -0.184 37.826 38.487 -0.796 0.000 0.998 368 N HN 0.170 nan 8.380 nan 0.000 0.424 369 L N -0.658 120.434 121.223 -0.217 0.000 2.375 369 L HA 0.078 4.424 4.340 0.010 0.000 0.215 369 L C 1.211 178.107 176.870 0.044 0.000 1.108 369 L CA 0.414 55.229 54.840 -0.041 0.000 0.830 369 L CB 0.176 42.189 42.059 -0.078 0.000 0.959 369 L HN 0.175 nan 8.230 nan 0.000 0.457 370 C N -1.777 117.505 119.300 -0.029 0.000 3.403 370 C HA 0.190 4.656 4.460 0.010 0.000 0.317 370 C C 0.749 175.712 174.990 -0.046 0.000 1.346 370 C CA -0.905 58.104 59.018 -0.015 0.000 1.743 370 C CB -0.078 27.640 27.740 -0.036 0.000 2.308 370 C HN 0.291 nan 8.230 nan 0.000 0.675 371 D N 2.425 122.760 120.400 -0.109 0.000 2.419 371 D HA 0.069 4.715 4.640 0.010 0.000 0.236 371 D C -1.421 174.810 176.300 -0.115 0.000 1.165 371 D CA -0.983 52.907 54.000 -0.184 0.000 0.882 371 D CB 0.525 41.050 40.800 -0.458 0.000 1.201 371 D HN 0.108 nan 8.370 nan 0.000 0.443 372 P HA -0.128 nan 4.420 nan 0.000 0.216 372 P C 0.625 177.989 177.300 0.106 0.000 1.150 372 P CA 1.271 64.423 63.100 0.088 0.000 0.837 372 P CB -0.005 31.791 31.700 0.160 0.000 0.786 373 H N -2.422 116.659 119.070 0.019 0.000 2.567 373 H HA 0.360 4.922 4.556 0.010 0.000 0.294 373 H C 0.791 176.134 175.328 0.025 0.000 1.050 373 H CA -0.092 55.966 56.048 0.017 0.000 1.168 373 H CB -0.025 29.747 29.762 0.017 0.000 1.422 373 H HN 0.004 nan 8.280 nan 0.000 0.562 374 R N -0.275 120.166 120.500 -0.098 0.000 2.893 374 R HA 0.168 4.514 4.340 0.010 0.000 0.108 374 R C 1.062 177.342 176.300 -0.034 0.000 0.889 374 R CA -0.687 55.396 56.100 -0.028 0.000 0.627 374 R CB -0.799 29.517 30.300 0.025 0.000 0.778 374 R HN 0.077 nan 8.270 nan 0.000 0.360 375 Y N 1.702 122.026 120.300 0.039 0.000 2.352 375 Y HA -0.007 4.549 4.550 0.010 0.000 0.292 375 Y C 0.749 176.673 175.900 0.041 0.000 1.136 375 Y CA 1.218 59.353 58.100 0.059 0.000 1.227 375 Y CB -0.336 38.202 38.460 0.129 0.000 0.991 375 Y HN 0.549 nan 8.280 nan 0.000 0.545 376 N N 0.897 119.683 118.700 0.143 0.000 2.686 376 N HA -0.225 4.521 4.740 0.010 0.000 0.261 376 N C 0.491 176.077 175.510 0.126 0.000 1.001 376 N CA 0.347 53.456 53.050 0.098 0.000 0.764 376 N CB -0.983 37.543 38.487 0.066 0.000 0.898 376 N HN 0.618 nan 8.380 nan 0.000 0.544 377 I N -2.842 117.818 120.570 0.150 0.000 3.793 377 I HA 0.032 4.208 4.170 0.010 0.000 0.315 377 I C 1.692 177.897 176.117 0.146 0.000 1.275 377 I CA -0.381 61.006 61.300 0.145 0.000 1.214 377 I CB 0.033 38.128 38.000 0.157 0.000 1.018 377 I HN 0.123 nan 8.210 nan 0.000 0.439 378 L N 1.718 123.034 121.223 0.155 0.000 1.990 378 L HA -0.232 4.114 4.340 0.010 0.000 0.213 378 L C 2.576 179.644 176.870 0.330 0.000 1.072 378 L CA 2.192 57.155 54.840 0.205 0.000 0.755 378 L CB -0.885 41.258 42.059 0.140 0.000 0.889 378 L HN 0.507 nan 8.230 nan 0.000 0.432 379 E N -0.964 119.434 120.200 0.330 0.000 2.031 379 E HA -0.239 4.117 4.350 0.010 0.000 0.193 379 E C 1.801 178.447 176.600 0.076 0.000 0.994 379 E CA 1.473 58.013 56.400 0.233 0.000 0.800 379 E CB -0.007 29.769 29.700 0.126 0.000 0.752 379 E HN 0.497 nan 8.360 nan 0.000 0.447 380 D N 0.132 120.569 120.400 0.062 0.000 2.106 380 D HA -0.185 4.461 4.640 0.010 0.000 0.191 380 D C 2.109 178.408 176.300 -0.002 0.000 0.997 380 D CA 1.473 55.477 54.000 0.006 0.000 0.834 380 D CB -0.485 40.326 40.800 0.018 0.000 0.956 380 D HN 0.141 nan 8.370 nan 0.000 0.448 381 V N 1.534 121.493 119.914 0.076 0.000 2.332 381 V HA -0.242 3.884 4.120 0.010 0.000 0.248 381 V C 2.566 178.743 176.094 0.138 0.000 1.055 381 V CA 1.822 64.206 62.300 0.139 0.000 1.038 381 V CB -0.855 31.107 31.823 0.232 0.000 0.651 381 V HN 0.204 nan 8.190 nan 0.000 0.450 382 A N -0.289 122.629 122.820 0.165 0.000 1.902 382 A HA -0.148 4.178 4.320 0.010 0.000 0.217 382 A C 2.406 179.974 177.584 -0.026 0.000 1.181 382 A CA 1.943 54.075 52.037 0.159 0.000 0.623 382 A CB -0.680 18.519 19.000 0.332 0.000 0.818 382 A HN 0.326 nan 8.150 nan 0.000 0.443 383 V N -0.655 119.195 119.914 -0.107 0.000 2.332 383 V HA -0.334 3.792 4.120 0.010 0.000 0.248 383 V C 2.588 178.534 176.094 -0.246 0.000 1.055 383 V CA 2.114 64.307 62.300 -0.180 0.000 1.038 383 V CB -0.975 30.744 31.823 -0.174 0.000 0.651 383 V HN 0.723 nan 8.190 nan 0.000 0.450 384 C N -0.656 118.435 119.300 -0.348 0.000 2.432 384 C HA -0.069 4.397 4.460 0.010 0.000 0.280 384 C C 2.537 177.116 174.990 -0.685 0.000 1.353 384 C CA 0.730 59.304 59.018 -0.739 0.000 1.766 384 C CB -1.058 25.904 27.740 -1.296 0.000 1.924 384 C HN 0.527 nan 8.230 nan 0.000 0.509 385 M N 0.128 119.580 119.600 -0.246 0.000 2.561 385 M HA 0.043 4.529 4.480 0.010 0.000 0.238 385 M C 0.528 176.812 176.300 -0.026 0.000 1.131 385 M CA 0.784 56.092 55.300 0.014 0.000 1.046 385 M CB -0.341 32.367 32.600 0.181 0.000 1.532 385 M HN 0.256 nan 8.290 nan 0.000 0.497 386 D N 1.373 121.709 120.400 -0.107 0.000 2.746 386 D HA -0.153 4.493 4.640 0.010 0.000 0.236 386 D C -1.006 175.264 176.300 -0.049 0.000 1.129 386 D CA 0.463 54.408 54.000 -0.091 0.000 0.691 386 D CB -0.940 39.814 40.800 -0.076 0.000 1.077 386 D HN 0.307 nan 8.370 nan 0.000 0.432 387 L N -0.128 121.069 121.223 -0.042 0.000 2.375 387 L HA 0.408 4.754 4.340 0.010 0.000 0.268 387 L C 0.875 177.684 176.870 -0.101 0.000 1.058 387 L CA -0.900 53.936 54.840 -0.006 0.000 0.803 387 L CB 0.811 42.932 42.059 0.104 0.000 1.212 387 L HN -0.004 nan 8.230 nan 0.000 0.451 388 D N 0.439 120.797 120.400 -0.069 0.000 2.470 388 D HA 0.004 4.650 4.640 0.010 0.000 0.226 388 D C 1.054 177.146 176.300 -0.347 0.000 1.196 388 D CA -0.203 53.715 54.000 -0.138 0.000 0.979 388 D CB 0.559 41.337 40.800 -0.036 0.000 1.059 388 D HN 0.573 nan 8.370 nan 0.000 0.515 389 T N 0.478 114.630 114.554 -0.670 0.000 3.284 389 T HA 0.065 4.421 4.350 0.010 0.000 0.252 389 T C 1.231 175.520 174.700 -0.684 0.000 1.144 389 T CA 0.079 61.324 62.100 -1.425 0.000 1.021 389 T CB -0.118 67.870 68.868 -1.466 0.000 0.984 389 T HN 0.273 nan 8.240 nan 0.000 0.545 390 R N 0.018 120.335 120.500 -0.305 0.000 2.362 390 R HA 0.255 4.601 4.340 0.010 0.000 0.227 390 R C 0.470 176.777 176.300 0.012 0.000 0.905 390 R CA 0.064 56.096 56.100 -0.113 0.000 1.067 390 R CB 0.624 30.870 30.300 -0.091 0.000 1.078 390 R HN 0.297 nan 8.270 nan 0.000 0.516 391 T N -0.306 114.296 114.554 0.081 0.000 2.991 391 T HA 0.081 4.437 4.350 0.010 0.000 0.303 391 T C 1.111 175.977 174.700 0.278 0.000 1.015 391 T CA -0.539 61.650 62.100 0.148 0.000 1.007 391 T CB 1.602 70.523 68.868 0.088 0.000 1.034 391 T HN 0.234 nan 8.240 nan 0.000 0.446 392 T N 1.412 116.099 114.554 0.222 0.000 2.759 392 T HA -0.138 4.218 4.350 0.010 0.000 0.269 392 T C 2.037 176.802 174.700 0.109 0.000 1.042 392 T CA 1.806 64.004 62.100 0.164 0.000 1.140 392 T CB -0.659 68.255 68.868 0.077 0.000 0.864 392 T HN 0.695 nan 8.240 nan 0.000 0.455 393 S N 1.809 117.568 115.700 0.099 0.000 2.595 393 S HA -0.004 4.472 4.470 0.010 0.000 0.235 393 S C 2.009 176.661 174.600 0.088 0.000 0.974 393 S CA 0.630 58.872 58.200 0.071 0.000 0.942 393 S CB -0.797 62.435 63.200 0.054 0.000 0.766 393 S HN 0.788 nan 8.310 nan 0.000 0.536 394 S N 1.454 117.245 115.700 0.151 0.000 2.528 394 S HA 0.252 4.728 4.470 0.010 0.000 0.219 394 S C 0.948 175.637 174.600 0.148 0.000 0.985 394 S CA 0.078 58.375 58.200 0.162 0.000 0.914 394 S CB -0.890 62.443 63.200 0.221 0.000 0.776 394 S HN 0.602 nan 8.310 nan 0.000 0.526 395 L N 1.013 122.293 121.223 0.095 0.000 3.865 395 L HA -0.165 4.181 4.340 0.010 0.000 0.408 395 L C 1.571 178.456 176.870 0.026 0.000 1.209 395 L CA 0.689 55.525 54.840 -0.007 0.000 0.940 395 L CB -2.456 39.608 42.059 0.007 0.000 1.971 395 L HN 0.743 nan 8.230 nan 0.000 0.899 396 W N -0.111 121.200 121.300 0.018 0.000 2.374 396 W HA -0.123 4.543 4.660 0.010 0.000 0.288 396 W C 1.698 178.233 176.519 0.028 0.000 1.218 396 W CA 1.196 58.554 57.345 0.023 0.000 1.245 396 W CB -0.632 28.838 29.460 0.016 0.000 1.126 396 W HN 0.285 nan 8.180 nan 0.000 0.545 397 K N 1.080 121.051 120.400 -0.715 0.000 2.025 397 K HA -0.141 4.185 4.320 0.010 0.000 0.207 397 K C 1.553 178.007 176.600 -0.243 0.000 1.049 397 K CA 2.249 58.133 56.287 -0.670 0.000 0.933 397 K CB -0.308 31.662 32.500 -0.882 0.000 0.714 397 K HN 0.003 nan 8.250 nan 0.000 0.438 398 D N 0.720 121.007 120.400 -0.189 0.000 2.117 398 D HA -0.135 4.511 4.640 0.010 0.000 0.197 398 D C 1.661 177.953 176.300 -0.014 0.000 0.987 398 D CA 1.257 55.205 54.000 -0.088 0.000 0.829 398 D CB 0.035 40.793 40.800 -0.069 0.000 0.961 398 D HN 0.122 nan 8.370 nan 0.000 0.460 399 K N 0.526 120.945 120.400 0.031 0.000 2.002 399 K HA -0.011 4.315 4.320 0.010 0.000 0.209 399 K C 2.239 178.906 176.600 0.111 0.000 1.048 399 K CA 1.191 57.527 56.287 0.081 0.000 0.930 399 K CB -0.203 32.366 32.500 0.115 0.000 0.714 399 K HN 0.087 nan 8.250 nan 0.000 0.438 400 A N 1.478 124.386 122.820 0.146 0.000 1.972 400 A HA -0.094 4.232 4.320 0.010 0.000 0.219 400 A C 2.335 180.003 177.584 0.141 0.000 1.169 400 A CA 1.743 53.893 52.037 0.189 0.000 0.635 400 A CB -0.602 18.546 19.000 0.246 0.000 0.810 400 A HN 0.347 nan 8.150 nan 0.000 0.446 401 A N -0.495 122.363 122.820 0.064 0.000 1.873 401 A HA 0.010 4.336 4.320 0.010 0.000 0.215 401 A C 2.223 179.825 177.584 0.029 0.000 1.186 401 A CA 1.700 53.750 52.037 0.022 0.000 0.616 401 A CB -0.960 18.013 19.000 -0.045 0.000 0.823 401 A HN 0.356 nan 8.150 nan 0.000 0.442 402 V N 0.481 120.418 119.914 0.038 0.000 2.255 402 V HA -0.256 3.870 4.120 0.010 0.000 0.247 402 V C 2.636 178.773 176.094 0.072 0.000 1.051 402 V CA 2.312 64.641 62.300 0.049 0.000 1.018 402 V CB -0.750 31.110 31.823 0.061 0.000 0.641 402 V HN 0.534 nan 8.190 nan 0.000 0.445 403 E N -0.177 120.095 120.200 0.119 0.000 2.077 403 E HA -0.170 4.186 4.350 0.010 0.000 0.193 403 E C 2.112 178.787 176.600 0.125 0.000 0.989 403 E CA 1.345 57.853 56.400 0.180 0.000 0.800 403 E CB -0.400 29.412 29.700 0.186 0.000 0.746 403 E HN 0.597 nan 8.360 nan 0.000 0.452 404 I N 1.612 122.277 120.570 0.158 0.000 2.226 404 I HA -0.270 3.906 4.170 0.010 0.000 0.245 404 I C 2.168 178.277 176.117 -0.014 0.000 1.100 404 I CA 0.894 62.287 61.300 0.155 0.000 1.374 404 I CB -0.285 37.851 38.000 0.226 0.000 1.057 404 I HN 0.083 nan 8.210 nan 0.000 0.413 405 N N 0.597 119.283 118.700 -0.024 0.000 2.188 405 N HA -0.160 4.586 4.740 0.010 0.000 0.184 405 N C 1.898 177.363 175.510 -0.076 0.000 1.018 405 N CA 1.135 54.144 53.050 -0.068 0.000 0.858 405 N CB -0.147 38.306 38.487 -0.057 0.000 0.989 405 N HN 0.206 nan 8.380 nan 0.000 0.426 406 L N 1.485 122.664 121.223 -0.074 0.000 2.131 406 L HA -0.009 4.337 4.340 0.010 0.000 0.210 406 L C 2.147 178.874 176.870 -0.238 0.000 1.092 406 L CA 1.259 56.021 54.840 -0.131 0.000 0.759 406 L CB -0.691 41.280 42.059 -0.147 0.000 0.903 406 L HN 0.035 nan 8.230 nan 0.000 0.435 407 A N -1.323 121.304 122.820 -0.322 0.000 1.930 407 A HA -0.092 4.234 4.320 0.010 0.000 0.217 407 A C 2.248 179.729 177.584 -0.172 0.000 1.175 407 A CA 1.691 53.465 52.037 -0.438 0.000 0.627 407 A CB -0.929 17.506 19.000 -0.943 0.000 0.815 407 A HN 0.273 nan 8.150 nan 0.000 0.443 408 V N 0.158 120.003 119.914 -0.115 0.000 2.295 408 V HA -0.256 3.871 4.120 0.010 0.000 0.246 408 V C 2.578 178.692 176.094 0.033 0.000 1.049 408 V CA 1.954 64.241 62.300 -0.022 0.000 1.024 408 V CB -0.759 30.960 31.823 -0.173 0.000 0.648 408 V HN 0.571 nan 8.190 nan 0.000 0.447 409 L N -0.435 120.763 121.223 -0.042 0.000 2.012 409 L HA -0.259 4.087 4.340 0.010 0.000 0.210 409 L C 2.613 179.508 176.870 0.043 0.000 1.073 409 L CA 2.378 57.212 54.840 -0.011 0.000 0.748 409 L CB -0.806 41.239 42.059 -0.023 0.000 0.891 409 L HN 0.503 nan 8.230 nan 0.000 0.431 410 H N -0.638 118.383 119.070 -0.082 0.000 2.353 410 H HA -0.122 4.441 4.556 0.011 0.000 0.300 410 H C 2.313 177.614 175.328 -0.045 0.000 1.090 410 H CA 1.843 57.832 56.048 -0.098 0.000 1.327 410 H CB 0.146 29.781 29.762 -0.212 0.000 1.383 410 H HN 0.152 nan 8.280 nan 0.000 0.508 411 S N -0.588 115.109 115.700 -0.005 0.000 2.387 411 S HA -0.070 4.406 4.470 0.010 0.000 0.226 411 S C 1.812 176.372 174.600 -0.065 0.000 1.026 411 S CA 1.018 59.192 58.200 -0.044 0.000 0.972 411 S CB -0.322 62.918 63.200 0.066 0.000 0.814 411 S HN 0.368 nan 8.310 nan 0.000 0.477 412 F N 1.942 121.828 119.950 -0.107 0.000 2.163 412 F HA -0.082 4.451 4.527 0.010 0.000 0.297 412 F C 2.750 178.489 175.800 -0.102 0.000 1.094 412 F CA 1.015 58.972 58.000 -0.072 0.000 1.290 412 F CB -0.287 38.693 39.000 -0.034 0.000 1.017 412 F HN 0.168 nan 8.300 nan 0.000 0.483 413 Q N 0.140 119.965 119.800 0.041 0.000 2.050 413 Q HA -0.227 4.119 4.340 0.010 0.000 0.202 413 Q C 2.362 178.287 176.000 -0.125 0.000 0.980 413 Q CA 1.505 57.277 55.803 -0.050 0.000 0.840 413 Q CB -0.411 28.282 28.738 -0.074 0.000 0.898 413 Q HN 0.462 nan 8.270 nan 0.000 0.424 414 L N 0.107 121.193 121.223 -0.229 0.000 2.042 414 L HA -0.175 4.171 4.340 0.010 0.000 0.210 414 L C 1.957 178.732 176.870 -0.159 0.000 1.076 414 L CA 1.218 55.915 54.840 -0.239 0.000 0.749 414 L CB -0.296 41.542 42.059 -0.368 0.000 0.893 414 L HN 0.217 nan 8.230 nan 0.000 0.432 415 A N -0.940 121.782 122.820 -0.163 0.000 2.238 415 A HA -0.061 4.265 4.320 0.010 0.000 0.208 415 A C 0.989 178.502 177.584 -0.118 0.000 1.177 415 A CA 0.161 52.108 52.037 -0.150 0.000 0.804 415 A CB -0.260 18.609 19.000 -0.218 0.000 0.823 415 A HN 0.492 nan 8.150 nan 0.000 0.482 416 K N -1.059 119.284 120.400 -0.096 0.000 3.148 416 K HA -0.132 4.194 4.320 0.010 0.000 0.267 416 K C -0.718 175.850 176.600 -0.054 0.000 0.996 416 K CA 0.642 56.888 56.287 -0.068 0.000 0.737 416 K CB -2.036 30.426 32.500 -0.064 0.000 1.308 416 K HN 0.277 nan 8.250 nan 0.000 0.470 417 V N 0.680 120.573 119.914 -0.034 0.000 2.581 417 V HA 0.203 4.329 4.120 0.010 0.000 0.303 417 V C 0.812 176.979 176.094 0.121 0.000 1.041 417 V CA -0.786 61.528 62.300 0.023 0.000 0.907 417 V CB 2.060 33.849 31.823 -0.056 0.000 0.994 417 V HN 0.232 nan 8.190 nan 0.000 0.442 418 T N 5.661 120.262 114.554 0.078 0.000 2.928 418 T HA 0.518 4.874 4.350 0.010 0.000 0.305 418 T C -0.275 174.489 174.700 0.107 0.000 1.035 418 T CA 0.637 62.711 62.100 -0.044 0.000 1.145 418 T CB 0.119 68.847 68.868 -0.232 0.000 0.963 418 T HN 0.594 nan 8.240 nan 0.000 0.545 419 I N 2.229 122.785 120.570 -0.024 0.000 2.763 419 I HA 0.538 4.714 4.170 0.010 0.000 0.292 419 I C -1.753 174.370 176.117 0.010 0.000 1.610 419 I CA -0.840 60.487 61.300 0.043 0.000 1.002 419 I CB 1.645 39.610 38.000 -0.057 0.000 1.416 419 I HN 0.472 nan 8.210 nan 0.000 0.479 420 V N 5.429 125.407 119.914 0.107 0.000 2.789 420 V HA 0.538 4.664 4.120 0.010 0.000 0.311 420 V C -1.182 174.958 176.094 0.076 0.000 1.073 420 V CA -0.219 62.145 62.300 0.105 0.000 0.921 420 V CB 2.313 34.274 31.823 0.229 0.000 1.009 420 V HN 0.876 nan 8.190 nan 0.000 0.426 421 D N 3.643 124.070 120.400 0.044 0.000 2.329 421 D HA 0.223 4.869 4.640 0.010 0.000 0.246 421 D C 1.227 177.526 176.300 -0.002 0.000 1.111 421 D CA -0.019 53.998 54.000 0.029 0.000 0.941 421 D CB 0.518 41.307 40.800 -0.018 0.000 1.169 421 D HN 0.746 nan 8.370 nan 0.000 0.441 422 H N 0.101 119.103 119.070 -0.113 0.000 2.518 422 H HA -0.149 4.413 4.556 0.010 0.000 0.289 422 H C 0.812 176.037 175.328 -0.172 0.000 1.051 422 H CA 1.263 57.208 56.048 -0.170 0.000 1.280 422 H CB -0.509 29.094 29.762 -0.265 0.000 1.380 422 H HN 0.526 nan 8.280 nan 0.000 0.566 423 H N 1.116 119.968 119.070 -0.365 0.000 2.294 423 H HA 0.172 4.734 4.556 0.010 0.000 0.306 423 H C 2.567 177.864 175.328 -0.053 0.000 1.065 423 H CA 1.286 57.216 56.048 -0.196 0.000 1.343 423 H CB -0.396 29.220 29.762 -0.243 0.000 1.396 423 H HN 0.473 nan 8.280 nan 0.000 0.506 424 A N 1.662 124.534 122.820 0.088 0.000 1.883 424 A HA -0.178 4.148 4.320 0.010 0.000 0.217 424 A C 2.704 180.353 177.584 0.109 0.000 1.186 424 A CA 2.206 54.294 52.037 0.085 0.000 0.624 424 A CB -1.046 17.995 19.000 0.068 0.000 0.822 424 A HN 0.452 nan 8.150 nan 0.000 0.444 425 A N -0.244 122.640 122.820 0.107 0.000 1.859 425 A HA -0.201 4.125 4.320 0.010 0.000 0.217 425 A C 2.506 180.184 177.584 0.157 0.000 1.198 425 A CA 3.234 55.353 52.037 0.138 0.000 0.629 425 A CB -1.703 17.367 19.000 0.117 0.000 0.830 425 A HN 0.878 nan 8.150 nan 0.000 0.446 426 T N -2.381 112.249 114.554 0.125 0.000 2.788 426 T HA -0.120 4.236 4.350 0.010 0.000 0.268 426 T C 1.696 176.528 174.700 0.221 0.000 1.044 426 T CA 1.503 63.703 62.100 0.166 0.000 1.139 426 T CB -0.928 68.004 68.868 0.107 0.000 0.867 426 T HN 0.078 nan 8.240 nan 0.000 0.454 427 V N 2.828 122.843 119.914 0.170 0.000 2.287 427 V HA -0.200 3.926 4.120 0.010 0.000 0.248 427 V C 3.212 179.399 176.094 0.155 0.000 1.053 427 V CA 2.266 64.657 62.300 0.151 0.000 1.027 427 V CB -1.043 30.849 31.823 0.114 0.000 0.646 427 V HN 0.823 nan 8.190 nan 0.000 0.447 428 S N -0.508 115.292 115.700 0.166 0.000 2.423 428 S HA -0.193 4.283 4.470 0.010 0.000 0.231 428 S C 1.917 176.639 174.600 0.204 0.000 1.014 428 S CA 1.422 59.718 58.200 0.161 0.000 0.965 428 S CB -0.694 62.603 63.200 0.161 0.000 0.785 428 S HN 0.534 nan 8.310 nan 0.000 0.495 429 F N 1.994 122.010 119.950 0.110 0.000 2.259 429 F HA 0.159 4.692 4.527 0.010 0.000 0.298 429 F C 2.155 178.047 175.800 0.152 0.000 1.088 429 F CA 0.931 59.012 58.000 0.136 0.000 1.358 429 F CB -0.294 38.766 39.000 0.100 0.000 1.040 429 F HN 0.097 nan 8.300 nan 0.000 0.505 430 M N 0.209 119.891 119.600 0.137 0.000 2.117 430 M HA -0.168 4.318 4.480 0.010 0.000 0.262 430 M C 2.216 178.492 176.300 -0.040 0.000 1.065 430 M CA 1.487 56.813 55.300 0.043 0.000 1.114 430 M CB -1.214 31.455 32.600 0.115 0.000 1.361 430 M HN 0.069 nan 8.290 nan 0.000 0.408 431 K N -0.300 120.107 120.400 0.011 0.000 2.097 431 K HA -0.205 4.121 4.320 0.010 0.000 0.206 431 K C 1.981 178.560 176.600 -0.034 0.000 1.049 431 K CA 1.743 58.033 56.287 0.004 0.000 0.933 431 K CB -0.650 31.877 32.500 0.044 0.000 0.717 431 K HN 0.384 nan 8.250 nan 0.000 0.442 432 H N 0.059 119.035 119.070 -0.157 0.000 2.353 432 H HA -0.010 4.552 4.556 0.010 0.000 0.300 432 H C 1.666 176.828 175.328 -0.277 0.000 1.090 432 H CA 2.174 58.098 56.048 -0.206 0.000 1.327 432 H CB -0.181 29.415 29.762 -0.277 0.000 1.383 432 H HN 0.187 nan 8.280 nan 0.000 0.508 433 L N -0.333 120.569 121.223 -0.535 0.000 2.083 433 L HA -0.139 4.208 4.340 0.010 0.000 0.209 433 L C 2.252 178.953 176.870 -0.282 0.000 1.083 433 L CA 1.781 56.339 54.840 -0.470 0.000 0.752 433 L CB -0.421 41.435 42.059 -0.338 0.000 0.899 433 L HN 0.372 nan 8.230 nan 0.000 0.433 434 D N -0.201 120.086 120.400 -0.189 0.000 2.144 434 D HA -0.168 4.478 4.640 0.010 0.000 0.200 434 D C 1.926 178.154 176.300 -0.121 0.000 0.978 434 D CA 1.004 54.935 54.000 -0.116 0.000 0.833 434 D CB 0.160 40.920 40.800 -0.066 0.000 0.961 434 D HN 0.163 nan 8.370 nan 0.000 0.470 435 N N 0.485 119.100 118.700 -0.142 0.000 2.106 435 N HA -0.113 4.633 4.740 0.010 0.000 0.188 435 N C 1.570 176.997 175.510 -0.137 0.000 1.029 435 N CA 0.805 53.795 53.050 -0.100 0.000 0.848 435 N CB -0.300 38.161 38.487 -0.043 0.000 1.007 435 N HN 0.274 nan 8.380 nan 0.000 0.423 436 E N 0.688 120.722 120.200 -0.277 0.000 2.204 436 E HA -0.160 4.196 4.350 0.010 0.000 0.194 436 E C 1.796 178.295 176.600 -0.168 0.000 0.989 436 E CA 0.553 56.793 56.400 -0.267 0.000 0.824 436 E CB -0.047 29.374 29.700 -0.466 0.000 0.756 436 E HN 0.326 nan 8.360 nan 0.000 0.477 437 Q N 1.423 121.131 119.800 -0.152 0.000 2.079 437 Q HA -0.106 4.240 4.340 0.010 0.000 0.200 437 Q C 1.754 177.709 176.000 -0.076 0.000 0.974 437 Q CA 1.614 57.358 55.803 -0.098 0.000 0.840 437 Q CB 0.068 28.756 28.738 -0.084 0.000 0.898 437 Q HN 0.151 nan 8.270 nan 0.000 0.430 438 K N -0.760 119.598 120.400 -0.070 0.000 2.031 438 K HA 0.045 4.371 4.320 0.010 0.000 0.205 438 K C 2.055 178.628 176.600 -0.046 0.000 1.049 438 K CA 1.008 57.265 56.287 -0.051 0.000 0.939 438 K CB -0.204 32.272 32.500 -0.040 0.000 0.717 438 K HN 0.212 nan 8.250 nan 0.000 0.438 439 A N 1.412 124.206 122.820 -0.044 0.000 1.930 439 A HA -0.087 4.239 4.320 0.010 0.000 0.217 439 A C 1.816 179.376 177.584 -0.039 0.000 1.175 439 A CA 1.210 53.231 52.037 -0.027 0.000 0.627 439 A CB -0.051 18.951 19.000 0.002 0.000 0.815 439 A HN 0.182 nan 8.150 nan 0.000 0.443 440 R N -2.776 117.688 120.500 -0.061 0.000 2.544 440 R HA 0.253 4.599 4.340 0.010 0.000 0.303 440 R C 0.809 177.072 176.300 -0.061 0.000 0.939 440 R CA 0.530 56.596 56.100 -0.057 0.000 1.102 440 R CB 0.664 30.925 30.300 -0.065 0.000 1.440 440 R HN 0.698 nan 8.270 nan 0.000 0.532 441 G N 1.086 109.844 108.800 -0.071 0.000 2.160 441 G HA2 -0.155 3.811 3.960 0.010 0.000 0.244 441 G HA3 -0.155 3.811 3.960 0.010 0.000 0.244 441 G C 0.201 175.066 174.900 -0.057 0.000 1.022 441 G CA 0.095 45.144 45.100 -0.084 0.000 0.741 441 G HN 0.727 nan 8.290 nan 0.000 0.508 442 G N -2.417 106.360 108.800 -0.038 0.000 2.361 442 G HA2 0.522 4.489 3.960 0.010 0.000 0.305 442 G HA3 0.522 4.489 3.960 0.010 0.000 0.305 442 G C -0.688 174.218 174.900 0.011 0.000 1.367 442 G CA 0.374 45.484 45.100 0.016 0.000 0.951 442 G HN 2.007 nan 8.290 nan 0.000 0.615 443 C N 2.272 121.601 119.300 0.049 0.000 2.727 443 C HA 0.738 5.204 4.460 0.010 0.000 0.369 443 C C -2.472 172.507 174.990 -0.019 0.000 1.067 443 C CA -1.252 57.753 59.018 -0.021 0.000 1.273 443 C CB 1.265 28.922 27.740 -0.137 0.000 1.778 443 C HN 0.741 nan 8.230 nan 0.000 0.467 444 P HA 0.391 nan 4.420 nan 0.000 0.267 444 P C -0.625 176.557 177.300 -0.197 0.000 1.209 444 P CA 0.617 63.340 63.100 -0.629 0.000 0.763 444 P CB 1.051 32.052 31.700 -1.165 0.000 0.816 445 A N 2.828 125.607 122.820 -0.068 0.000 2.486 445 A HA 0.417 4.743 4.320 0.010 0.000 0.300 445 A C -1.010 176.621 177.584 0.079 0.000 1.048 445 A CA -0.576 51.505 52.037 0.075 0.000 0.696 445 A CB 1.348 20.506 19.000 0.262 0.000 1.278 445 A HN 0.452 nan 8.150 nan 0.000 0.405 446 D N 1.935 122.372 120.400 0.061 0.000 2.467 446 D HA 0.137 4.783 4.640 0.010 0.000 0.220 446 D C 0.825 177.257 176.300 0.219 0.000 1.103 446 D CA -0.472 53.602 54.000 0.124 0.000 0.886 446 D CB 0.352 41.161 40.800 0.015 0.000 1.025 446 D HN 0.592 nan 8.370 nan 0.000 0.514 447 W N 4.250 125.594 121.300 0.073 0.000 2.290 447 W HA -0.355 4.311 4.660 0.011 0.000 0.323 447 W C 2.029 178.579 176.519 0.052 0.000 1.260 447 W CA 2.760 60.130 57.345 0.042 0.000 1.266 447 W CB -0.148 29.311 29.460 -0.002 0.000 1.149 447 W HN 0.563 nan 8.180 nan 0.000 0.482 448 A N -1.544 121.506 122.820 0.383 0.000 2.076 448 A HA -0.203 4.123 4.320 0.010 0.000 0.220 448 A C 1.450 179.022 177.584 -0.021 0.000 1.160 448 A CA 1.663 53.813 52.037 0.187 0.000 0.653 448 A CB -1.237 17.919 19.000 0.261 0.000 0.801 448 A HN 0.561 nan 8.150 nan 0.000 0.455 449 W N -1.084 120.161 121.300 -0.092 0.000 2.762 449 W HA 0.203 4.869 4.660 0.010 0.000 0.265 449 W C 1.811 178.200 176.519 -0.217 0.000 1.263 449 W CA -0.121 57.154 57.345 -0.116 0.000 1.411 449 W CB 0.006 29.430 29.460 -0.061 0.000 1.065 449 W HN 0.130 nan 8.180 nan 0.000 0.609 450 I N -0.256 120.251 120.570 -0.104 0.000 2.333 450 I HA -0.053 4.123 4.170 0.010 0.000 0.246 450 I C 0.746 176.645 176.117 -0.364 0.000 1.106 450 I CA 0.731 61.839 61.300 -0.320 0.000 1.411 450 I CB -1.489 36.247 38.000 -0.441 0.000 1.082 450 I HN -0.414 nan 8.210 nan 0.000 0.420 451 V N 3.852 123.459 119.914 -0.511 0.000 2.572 451 V HA 0.083 4.209 4.120 0.010 0.000 0.291 451 V C -1.913 173.995 176.094 -0.310 0.000 1.039 451 V CA -1.030 60.974 62.300 -0.493 0.000 1.055 451 V CB 0.254 31.545 31.823 -0.886 0.000 0.969 451 V HN 0.130 nan 8.190 nan 0.000 0.482 452 P HA 0.117 nan 4.420 nan 0.000 0.269 452 P C -1.833 175.335 177.300 -0.221 0.000 1.215 452 P CA -1.065 61.909 63.100 -0.209 0.000 0.780 452 P CB 0.053 31.637 31.700 -0.193 0.000 0.898 453 P HA -0.005 nan 4.420 nan 0.000 0.234 453 P C 0.169 177.347 177.300 -0.203 0.000 1.167 453 P CA 1.103 64.076 63.100 -0.212 0.000 0.763 453 P CB 0.004 31.572 31.700 -0.219 0.000 0.835 454 I N -7.168 113.246 120.570 -0.261 0.000 2.994 454 I HA 0.449 4.625 4.170 0.010 0.000 0.306 454 I C -0.078 175.916 176.117 -0.204 0.000 1.195 454 I CA -1.236 59.928 61.300 -0.227 0.000 1.001 454 I CB 1.938 39.783 38.000 -0.259 0.000 1.244 454 I HN -0.418 nan 8.210 nan 0.000 0.437 455 S N 2.005 117.642 115.700 -0.105 0.000 3.533 455 S HA -0.208 4.268 4.470 0.010 0.000 0.347 455 S C 1.382 175.949 174.600 -0.055 0.000 1.101 455 S CA 0.910 59.090 58.200 -0.032 0.000 1.009 455 S CB -1.765 61.492 63.200 0.095 0.000 0.916 455 S HN 1.297 nan 8.310 nan 0.000 0.496 456 G N 2.329 111.073 108.800 -0.094 0.000 2.719 456 G HA2 -0.355 3.611 3.960 0.010 0.000 0.219 456 G HA3 -0.355 3.611 3.960 0.010 0.000 0.219 456 G C 1.374 176.133 174.900 -0.236 0.000 1.234 456 G CA 1.594 46.650 45.100 -0.074 0.000 0.788 456 G HN 1.355 nan 8.290 nan 0.000 0.619 457 S N 0.273 115.539 115.700 -0.724 0.000 2.660 457 S HA 0.236 4.712 4.470 0.010 0.000 0.228 457 S C 1.926 176.405 174.600 -0.202 0.000 0.966 457 S CA 0.459 58.056 58.200 -1.004 0.000 0.940 457 S CB -0.122 62.318 63.200 -1.266 0.000 0.773 457 S HN 0.340 nan 8.310 nan 0.000 0.535 458 L N 1.613 122.800 121.223 -0.061 0.000 2.529 458 L HA 0.160 4.506 4.340 0.010 0.000 0.223 458 L C 1.315 178.294 176.870 0.182 0.000 1.113 458 L CA 0.417 55.315 54.840 0.096 0.000 0.861 458 L CB -0.652 41.493 42.059 0.143 0.000 1.012 458 L HN 0.465 nan 8.230 nan 0.000 0.461 459 T N -3.811 110.832 114.554 0.147 0.000 2.934 459 T HA 0.294 4.650 4.350 0.010 0.000 0.283 459 T C -1.662 173.181 174.700 0.238 0.000 1.005 459 T CA -1.892 60.316 62.100 0.181 0.000 1.041 459 T CB 1.787 70.716 68.868 0.102 0.000 1.042 459 T HN -0.172 nan 8.240 nan 0.000 0.505 460 P HA -0.029 nan 4.420 nan 0.000 0.225 460 P C 1.756 179.251 177.300 0.326 0.000 1.156 460 P CA 0.732 64.028 63.100 0.327 0.000 0.787 460 P CB -0.296 31.549 31.700 0.242 0.000 0.802 461 V N -3.732 116.323 119.914 0.235 0.000 2.626 461 V HA -0.186 3.940 4.120 0.010 0.000 0.252 461 V C 2.364 178.576 176.094 0.197 0.000 1.067 461 V CA 1.081 63.503 62.300 0.204 0.000 1.081 461 V CB -2.270 29.598 31.823 0.075 0.000 0.686 461 V HN -0.121 nan 8.190 nan 0.000 0.468 462 F N 1.766 121.695 119.950 -0.035 0.000 2.154 462 F HA -0.196 4.337 4.527 0.010 0.000 0.301 462 F C 2.459 178.363 175.800 0.173 0.000 1.087 462 F CA 2.298 60.305 58.000 0.012 0.000 1.274 462 F CB -0.191 38.656 39.000 -0.254 0.000 1.009 462 F HN 0.291 nan 8.300 nan 0.000 0.485 463 H N -1.213 118.204 119.070 0.579 0.000 2.539 463 H HA 0.110 4.672 4.556 0.010 0.000 0.269 463 H C 0.321 175.903 175.328 0.423 0.000 0.980 463 H CA 0.209 56.544 56.048 0.479 0.000 1.152 463 H CB -0.182 29.832 29.762 0.420 0.000 1.407 463 H HN 0.242 nan 8.280 nan 0.000 0.564 464 Q N 2.240 122.320 119.800 0.466 0.000 2.360 464 Q HA 0.139 4.485 4.340 0.010 0.000 0.254 464 Q C -0.497 175.728 176.000 0.375 0.000 0.975 464 Q CA -0.356 55.672 55.803 0.375 0.000 0.912 464 Q CB 0.524 29.455 28.738 0.323 0.000 1.212 464 Q HN 0.244 nan 8.270 nan 0.000 0.452 465 E N 3.394 123.766 120.200 0.288 0.000 2.415 465 E HA 0.159 4.515 4.350 0.010 0.000 0.262 465 E C -0.443 176.288 176.600 0.219 0.000 1.038 465 E CA 0.463 56.983 56.400 0.201 0.000 0.921 465 E CB 0.709 30.507 29.700 0.164 0.000 0.950 465 E HN 0.602 nan 8.360 nan 0.000 0.438 466 M N 1.499 121.226 119.600 0.212 0.000 2.446 466 M HA 0.326 4.812 4.480 0.010 0.000 0.294 466 M C -1.189 175.221 176.300 0.184 0.000 1.158 466 M CA -0.925 54.515 55.300 0.233 0.000 0.899 466 M CB 2.390 35.191 32.600 0.335 0.000 1.687 466 M HN 0.153 nan 8.290 nan 0.000 0.455 467 V N 2.091 122.123 119.914 0.197 0.000 2.398 467 V HA 0.391 4.517 4.120 0.010 0.000 0.286 467 V C -0.409 175.828 176.094 0.238 0.000 1.026 467 V CA -0.670 61.774 62.300 0.240 0.000 0.868 467 V CB 1.536 33.540 31.823 0.302 0.000 0.982 467 V HN 0.866 nan 8.190 nan 0.000 0.443 468 N N 3.407 122.236 118.700 0.215 0.000 2.399 468 N HA 0.723 5.469 4.740 0.010 0.000 0.295 468 N C -1.594 174.037 175.510 0.203 0.000 1.048 468 N CA -0.403 52.695 53.050 0.079 0.000 0.886 468 N CB 1.847 40.376 38.487 0.068 0.000 1.185 468 N HN 0.738 nan 8.380 nan 0.000 0.487 469 Y N 0.236 120.555 120.300 0.032 0.000 2.774 469 Y HA 0.424 4.980 4.550 0.010 0.000 0.346 469 Y C -1.737 174.166 175.900 0.005 0.000 1.222 469 Y CA -1.152 56.960 58.100 0.021 0.000 1.088 469 Y CB 0.591 39.069 38.460 0.030 0.000 1.354 469 Y HN 0.192 nan 8.280 nan 0.000 0.455 470 I N 3.444 124.118 120.570 0.173 0.000 2.312 470 I HA 0.446 4.622 4.170 0.010 0.000 0.290 470 I C -0.802 175.383 176.117 0.113 0.000 1.008 470 I CA -0.510 60.832 61.300 0.070 0.000 1.226 470 I CB 1.073 39.097 38.000 0.040 0.000 1.371 470 I HN 0.410 nan 8.210 nan 0.000 0.468 471 L N 5.086 126.340 121.223 0.052 0.000 2.346 471 L HA 0.554 4.900 4.340 0.010 0.000 0.274 471 L C 0.004 176.870 176.870 -0.008 0.000 1.007 471 L CA -0.501 54.373 54.840 0.057 0.000 0.818 471 L CB 2.038 44.133 42.059 0.061 0.000 1.284 471 L HN 0.519 nan 8.230 nan 0.000 0.424 472 S N 2.182 117.888 115.700 0.010 0.000 2.537 472 S HA 0.624 5.100 4.470 0.010 0.000 0.301 472 S C -2.493 172.115 174.600 0.013 0.000 1.092 472 S CA -1.444 56.745 58.200 -0.018 0.000 1.048 472 S CB 1.743 64.948 63.200 0.008 0.000 1.053 472 S HN 0.253 nan 8.310 nan 0.000 0.501 473 P HA 0.337 nan 4.420 nan 0.000 0.269 473 P C -1.244 175.916 177.300 -0.234 0.000 1.205 473 P CA 0.137 63.128 63.100 -0.182 0.000 0.780 473 P CB 0.418 31.957 31.700 -0.267 0.000 0.858 474 A N 1.009 123.640 122.820 -0.315 0.000 2.601 474 A HA 0.655 4.981 4.320 0.010 0.000 0.291 474 A C -1.731 175.612 177.584 -0.403 0.000 1.075 474 A CA -0.508 51.344 52.037 -0.308 0.000 0.671 474 A CB 0.687 19.597 19.000 -0.151 0.000 1.277 474 A HN 0.321 nan 8.150 nan 0.000 0.417 475 F N 1.073 120.918 119.950 -0.174 0.000 2.415 475 F HA 0.646 5.178 4.527 0.009 0.000 0.348 475 F C 0.953 176.626 175.800 -0.211 0.000 1.119 475 F CA -0.028 57.865 58.000 -0.179 0.000 1.069 475 F CB 1.792 40.639 39.000 -0.255 0.000 1.124 475 F HN 0.535 nan 8.300 nan 0.000 0.472 476 R N 1.742 122.252 120.500 0.016 0.000 2.892 476 R HA 0.486 4.832 4.340 0.010 0.000 0.265 476 R C -1.456 174.805 176.300 -0.065 0.000 1.025 476 R CA -1.214 54.835 56.100 -0.084 0.000 0.982 476 R CB 1.656 31.945 30.300 -0.017 0.000 1.185 476 R HN 0.413 nan 8.270 nan 0.000 0.484 477 Y N 1.241 121.562 120.300 0.035 0.000 2.301 477 Y HA 0.158 4.714 4.550 0.010 0.000 0.328 477 Y C 0.485 176.386 175.900 0.002 0.000 1.242 477 Y CA -0.110 58.002 58.100 0.021 0.000 1.323 477 Y CB 1.003 39.465 38.460 0.003 0.000 1.266 477 Y HN 0.441 nan 8.280 nan 0.000 0.527 478 Q N 1.413 121.313 119.800 0.167 0.000 2.416 478 Q HA 0.632 4.979 4.340 0.010 0.000 0.281 478 Q C -3.128 172.843 176.000 -0.047 0.000 1.067 478 Q CA -2.519 53.311 55.803 0.045 0.000 0.809 478 Q CB 2.137 30.893 28.738 0.031 0.000 1.418 478 Q HN 0.265 nan 8.270 nan 0.000 0.411 479 P HA 0.016 nan 4.420 nan 0.000 0.268 479 P C -0.925 176.156 177.300 -0.365 0.000 1.208 479 P CA 0.074 63.047 63.100 -0.211 0.000 0.777 479 P CB 0.409 32.000 31.700 -0.181 0.000 0.875 480 D N 3.639 123.679 120.400 -0.600 0.000 2.389 480 D HA 0.002 4.648 4.640 0.010 0.000 0.247 480 D C -0.998 174.667 176.300 -1.059 0.000 1.128 480 D CA -0.949 52.384 54.000 -1.112 0.000 0.884 480 D CB 0.473 40.081 40.800 -1.986 0.000 1.194 480 D HN 0.290 nan 8.370 nan 0.000 0.441 481 P HA -0.138 nan 4.420 nan 0.000 0.217 481 P C 0.544 177.488 177.300 -0.593 0.000 1.148 481 P CA 1.134 63.821 63.100 -0.688 0.000 0.828 481 P CB 0.073 31.351 31.700 -0.704 0.000 0.783 482 W N 0.000 120.874 121.300 -0.710 0.000 2.388 482 W HA 0.000 4.666 4.660 0.010 0.000 0.303 482 W CA 0.000 57.104 57.345 -0.402 0.000 1.226 482 W CB 0.000 29.207 29.460 -0.421 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535