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 3nld_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPXXXXXXXX DATA SEQUENCE XXXXXAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.825 174.900 -0.125 0.000 0.946 67 G CA 0.000 45.066 45.100 -0.057 0.000 0.502 68 P HA 0.335 nan 4.420 nan 0.000 0.274 68 P C -0.896 176.379 177.300 -0.042 0.000 1.231 68 P CA -0.368 62.636 63.100 -0.161 0.000 0.790 68 P CB 1.216 32.779 31.700 -0.229 0.000 0.951 69 K N 2.402 122.748 120.400 -0.091 0.000 2.278 69 K HA 0.232 4.557 4.320 0.009 0.000 0.237 69 K C -1.370 174.951 176.600 -0.464 0.000 1.229 69 K CA -0.168 55.995 56.287 -0.208 0.000 1.155 69 K CB -1.185 31.157 32.500 -0.262 0.000 1.590 69 K HN 0.407 nan 8.250 nan 0.000 0.290 70 F N 1.431 121.413 119.950 0.054 0.000 2.596 70 F HA 0.258 4.791 4.527 0.009 0.000 0.311 70 F C -1.973 173.939 175.800 0.188 0.000 1.116 70 F CA -2.155 55.895 58.000 0.083 0.000 0.957 70 F CB 1.770 40.815 39.000 0.075 0.000 1.250 70 F HN 0.215 nan 8.300 nan 0.000 0.444 71 P HA -0.139 nan 4.420 nan 0.000 0.257 71 P C -0.553 176.842 177.300 0.159 0.000 1.144 71 P CA 0.477 63.683 63.100 0.177 0.000 0.761 71 P CB 0.334 32.113 31.700 0.132 0.000 0.734 72 R N 3.219 123.742 120.500 0.039 0.000 2.308 72 R HA 0.392 4.737 4.340 0.009 0.000 0.305 72 R C -1.193 174.981 176.300 -0.209 0.000 1.053 72 R CA -0.480 55.430 56.100 -0.316 0.000 0.957 72 R CB 0.595 30.710 30.300 -0.310 0.000 1.022 72 R HN 0.200 nan 8.270 nan 0.000 0.461 73 V N 5.242 124.992 119.914 -0.275 0.000 2.443 73 V HA 0.332 4.457 4.120 0.009 0.000 0.293 73 V C -0.433 175.560 176.094 -0.168 0.000 1.021 73 V CA -0.767 61.455 62.300 -0.131 0.000 0.848 73 V CB 1.533 33.319 31.823 -0.063 0.000 0.998 73 V HN 0.741 nan 8.190 nan 0.000 0.424 74 K N 3.871 124.183 120.400 -0.146 0.000 2.259 74 K HA 0.449 4.774 4.320 0.009 0.000 0.252 74 K C -0.548 175.931 176.600 -0.202 0.000 0.936 74 K CA -0.688 55.431 56.287 -0.280 0.000 0.810 74 K CB 1.486 33.642 32.500 -0.573 0.000 1.143 74 K HN 0.710 nan 8.250 nan 0.000 0.427 75 N N 4.098 122.685 118.700 -0.188 0.000 2.457 75 N HA 0.072 4.818 4.740 0.009 0.000 0.250 75 N C -0.152 175.304 175.510 -0.091 0.000 0.982 75 N CA -0.315 52.723 53.050 -0.020 0.000 0.941 75 N CB 0.452 38.970 38.487 0.051 0.000 1.120 75 N HN 0.691 nan 8.380 nan 0.000 0.505 76 W N 2.314 123.682 121.300 0.114 0.000 2.519 76 W HA 0.054 4.719 4.660 0.008 0.000 0.266 76 W C 2.119 178.664 176.519 0.044 0.000 1.253 76 W CA 0.097 57.495 57.345 0.088 0.000 1.274 76 W CB 0.253 29.785 29.460 0.120 0.000 1.114 76 W HN 0.666 nan 8.180 nan 0.000 0.596 77 E N 0.585 120.907 120.200 0.204 0.000 2.046 77 E HA -0.164 4.191 4.350 0.009 0.000 0.190 77 E C 1.782 178.406 176.600 0.039 0.000 0.982 77 E CA 1.199 57.622 56.400 0.038 0.000 0.800 77 E CB -0.304 29.383 29.700 -0.022 0.000 0.756 77 E HN 0.258 nan 8.360 nan 0.000 0.449 78 L N -0.916 120.330 121.223 0.037 0.000 2.477 78 L HA 0.263 4.608 4.340 0.009 0.000 0.220 78 L C 1.637 178.492 176.870 -0.024 0.000 1.106 78 L CA 0.476 55.322 54.840 0.009 0.000 0.851 78 L CB 0.423 42.491 42.059 0.014 0.000 0.994 78 L HN 0.448 nan 8.230 nan 0.000 0.462 79 G N 0.123 108.886 108.800 -0.062 0.000 2.179 79 G HA2 -0.308 3.657 3.960 0.009 0.000 0.260 79 G HA3 -0.308 3.657 3.960 0.009 0.000 0.260 79 G C 0.379 175.187 174.900 -0.153 0.000 0.977 79 G CA 0.409 45.435 45.100 -0.123 0.000 0.641 79 G HN 0.448 nan 8.290 nan 0.000 0.533 80 S N 0.156 115.781 115.700 -0.125 0.000 2.610 80 S HA 0.809 5.284 4.470 0.009 0.000 0.273 80 S C 0.018 174.521 174.600 -0.161 0.000 1.274 80 S CA -0.739 57.393 58.200 -0.113 0.000 1.023 80 S CB 2.252 65.413 63.200 -0.065 0.000 0.962 80 S HN 0.429 nan 8.310 nan 0.000 0.523 81 I N 2.126 122.609 120.570 -0.145 0.000 2.545 81 I HA 0.530 4.705 4.170 0.009 0.000 0.292 81 I C 0.267 176.280 176.117 -0.174 0.000 1.040 81 I CA -0.217 60.962 61.300 -0.200 0.000 1.068 81 I CB 1.800 39.681 38.000 -0.200 0.000 1.251 81 I HN 1.056 nan 8.210 nan 0.000 0.424 82 T N 2.248 116.659 114.554 -0.239 0.000 2.838 82 T HA 0.728 5.083 4.350 0.009 0.000 0.292 82 T C -1.254 173.232 174.700 -0.358 0.000 1.113 82 T CA -0.652 61.342 62.100 -0.177 0.000 1.008 82 T CB 2.060 70.883 68.868 -0.075 0.000 1.259 82 T HN 0.263 nan 8.240 nan 0.000 0.520 83 Y N -0.225 120.062 120.300 -0.023 0.000 2.485 83 Y HA 0.577 5.132 4.550 0.008 0.000 0.345 83 Y C -0.223 175.652 175.900 -0.043 0.000 0.998 83 Y CA -1.014 57.084 58.100 -0.003 0.000 1.059 83 Y CB 1.905 40.371 38.460 0.010 0.000 1.234 83 Y HN 0.733 nan 8.280 nan 0.000 0.461 84 D N 1.242 121.728 120.400 0.142 0.000 2.414 84 D HA 0.144 4.789 4.640 0.009 0.000 0.232 84 D C 0.420 176.698 176.300 -0.037 0.000 1.070 84 D CA -0.117 53.911 54.000 0.047 0.000 0.839 84 D CB 1.525 42.383 40.800 0.097 0.000 1.079 84 D HN 0.805 nan 8.370 nan 0.000 0.521 85 T N 1.165 115.574 114.554 -0.242 0.000 3.037 85 T HA -0.053 4.302 4.350 0.009 0.000 0.252 85 T C 1.931 176.512 174.700 -0.199 0.000 1.073 85 T CA -0.176 61.623 62.100 -0.503 0.000 1.091 85 T CB 0.100 68.510 68.868 -0.762 0.000 0.935 85 T HN 0.243 nan 8.240 nan 0.000 0.488 86 L N 2.638 123.781 121.223 -0.132 0.000 2.081 86 L HA -0.073 4.272 4.340 0.009 0.000 0.212 86 L C 2.661 179.416 176.870 -0.191 0.000 1.080 86 L CA 1.441 56.236 54.840 -0.076 0.000 0.754 86 L CB -1.043 41.044 42.059 0.047 0.000 0.893 86 L HN 0.697 nan 8.230 nan 0.000 0.433 87 C N -2.077 116.931 119.300 -0.487 0.000 2.422 87 C HA 0.070 4.535 4.460 0.009 0.000 0.286 87 C C 2.792 177.589 174.990 -0.322 0.000 1.412 87 C CA 0.044 58.501 59.018 -0.936 0.000 1.786 87 C CB -2.323 24.759 27.740 -1.097 0.000 1.835 87 C HN 0.570 nan 8.230 nan 0.000 0.533 88 A N 0.174 122.937 122.820 -0.095 0.000 2.015 88 A HA -0.101 4.224 4.320 0.009 0.000 0.219 88 A C 2.234 179.818 177.584 0.000 0.000 1.163 88 A CA 1.437 53.483 52.037 0.015 0.000 0.646 88 A CB -0.403 18.686 19.000 0.149 0.000 0.806 88 A HN 0.589 nan 8.150 nan 0.000 0.448 89 Q N 0.126 119.919 119.800 -0.012 0.000 2.432 89 Q HA 0.070 4.416 4.340 0.009 0.000 0.205 89 Q C 0.976 177.002 176.000 0.045 0.000 0.945 89 Q CA 0.482 56.300 55.803 0.024 0.000 0.924 89 Q CB -0.563 28.196 28.738 0.036 0.000 1.016 89 Q HN 0.529 nan 8.270 nan 0.000 0.503 90 S N 1.036 116.757 115.700 0.036 0.000 2.544 90 S HA -0.026 4.449 4.470 0.009 0.000 0.290 90 S C 0.715 175.349 174.600 0.056 0.000 1.276 90 S CA 0.119 58.371 58.200 0.087 0.000 1.075 90 S CB 0.380 63.651 63.200 0.118 0.000 0.849 90 S HN 0.126 nan 8.310 nan 0.000 0.494 91 Q N 2.623 122.459 119.800 0.061 0.000 2.155 91 Q HA 0.228 4.574 4.340 0.009 0.000 0.220 91 Q C -0.396 175.628 176.000 0.040 0.000 0.819 91 Q CA 0.054 55.885 55.803 0.045 0.000 1.032 91 Q CB 0.705 29.471 28.738 0.048 0.000 1.151 91 Q HN 0.879 nan 8.270 nan 0.000 0.487 92 Q N 0.772 120.600 119.800 0.046 0.000 2.280 92 Q HA 0.188 4.533 4.340 0.009 0.000 0.259 92 Q C -1.573 174.454 176.000 0.044 0.000 0.964 92 Q CA -0.479 55.346 55.803 0.038 0.000 0.844 92 Q CB 1.404 30.161 28.738 0.030 0.000 1.334 92 Q HN -0.093 nan 8.270 nan 0.000 0.423 93 D N 2.911 123.333 120.400 0.035 0.000 2.389 93 D HA 0.258 4.904 4.640 0.009 0.000 0.247 93 D C 0.471 176.793 176.300 0.037 0.000 1.128 93 D CA 0.477 54.500 54.000 0.038 0.000 0.884 93 D CB 1.339 42.156 40.800 0.028 0.000 1.194 93 D HN 0.683 nan 8.370 nan 0.000 0.441 94 G N 1.423 110.251 108.800 0.046 0.000 2.531 94 G HA2 0.294 4.259 3.960 0.009 0.000 0.253 94 G HA3 0.294 4.259 3.960 0.009 0.000 0.253 94 G C -1.211 173.710 174.900 0.037 0.000 1.439 94 G CA -0.492 44.632 45.100 0.040 0.000 1.056 94 G HN 0.359 nan 8.290 nan 0.000 0.555 95 P HA 0.148 nan 4.420 nan 0.000 0.234 95 P C 0.459 177.780 177.300 0.035 0.000 1.175 95 P CA 0.061 63.183 63.100 0.036 0.000 0.801 95 P CB 0.088 31.814 31.700 0.042 0.000 0.891 96 C N 1.000 120.323 119.300 0.038 0.000 2.580 96 C HA 0.574 5.039 4.460 0.009 0.000 0.371 96 C C 1.117 176.123 174.990 0.027 0.000 1.308 96 C CA 0.057 59.096 59.018 0.034 0.000 2.428 96 C CB 0.477 28.240 27.740 0.038 0.000 2.529 96 C HN 0.417 nan 8.230 nan 0.000 0.657 97 T N -2.680 111.887 114.554 0.022 0.000 2.812 97 T HA 0.448 4.804 4.350 0.009 0.000 0.294 97 T C -2.457 172.251 174.700 0.014 0.000 1.159 97 T CA -0.939 61.171 62.100 0.017 0.000 1.008 97 T CB 0.921 69.797 68.868 0.014 0.000 1.289 97 T HN 0.280 nan 8.240 nan 0.000 0.514 98 P HA 0.036 nan 4.420 nan 0.000 0.218 98 P C 1.378 178.682 177.300 0.007 0.000 1.148 98 P CA 0.823 63.928 63.100 0.007 0.000 0.822 98 P CB 0.074 31.776 31.700 0.004 0.000 0.784 99 R N -0.511 119.993 120.500 0.007 0.000 2.115 99 R HA 0.020 4.365 4.340 0.009 0.000 0.226 99 R C 0.915 177.220 176.300 0.008 0.000 1.100 99 R CA 0.822 56.926 56.100 0.006 0.000 0.980 99 R CB -0.244 30.060 30.300 0.006 0.000 0.875 99 R HN 0.255 nan 8.270 nan 0.000 0.445 100 R N -0.050 120.457 120.500 0.011 0.000 2.594 100 R HA 0.179 4.524 4.340 0.009 0.000 0.265 100 R C -1.702 174.608 176.300 0.017 0.000 1.070 100 R CA -0.758 55.349 56.100 0.012 0.000 0.909 100 R CB 0.456 30.763 30.300 0.013 0.000 1.243 100 R HN 0.034 nan 8.270 nan 0.000 0.455 101 C N 3.926 123.236 119.300 0.017 0.000 2.307 101 C HA 0.533 4.998 4.460 0.009 0.000 0.340 101 C C 0.487 175.496 174.990 0.032 0.000 1.275 101 C CA -0.596 58.436 59.018 0.024 0.000 1.811 101 C CB -0.443 27.307 27.740 0.017 0.000 2.372 101 C HN 0.717 nan 8.230 nan 0.000 0.531 102 L N 5.981 127.228 121.223 0.041 0.000 2.769 102 L HA 0.326 4.671 4.340 0.009 0.000 0.240 102 L C 2.253 179.165 176.870 0.071 0.000 1.163 102 L CA 1.139 56.011 54.840 0.052 0.000 0.962 102 L CB -0.655 41.432 42.059 0.047 0.000 1.258 102 L HN 1.078 nan 8.230 nan 0.000 0.513 103 G N 0.380 109.224 108.800 0.073 0.000 2.803 103 G HA2 -0.450 3.515 3.960 0.009 0.000 0.227 103 G HA3 -0.450 3.515 3.960 0.009 0.000 0.227 103 G C 1.600 176.586 174.900 0.145 0.000 1.129 103 G CA 1.634 46.795 45.100 0.101 0.000 0.755 103 G HN 0.526 nan 8.290 nan 0.000 0.634 104 S N -0.006 115.772 115.700 0.130 0.000 2.461 104 S HA 0.238 4.713 4.470 0.009 0.000 0.228 104 S C 1.099 175.805 174.600 0.177 0.000 1.005 104 S CA -0.135 58.161 58.200 0.161 0.000 0.942 104 S CB -0.075 63.193 63.200 0.113 0.000 0.776 104 S HN 0.171 nan 8.310 nan 0.000 0.514 105 L N 3.008 124.314 121.223 0.138 0.000 2.584 105 L HA 0.062 4.407 4.340 0.009 0.000 0.272 105 L C 1.556 178.541 176.870 0.191 0.000 1.195 105 L CA 0.204 55.123 54.840 0.132 0.000 0.920 105 L CB 0.185 42.300 42.059 0.093 0.000 1.173 105 L HN 0.149 nan 8.230 nan 0.000 0.489 106 V N 5.557 125.602 119.914 0.218 0.000 2.261 106 V HA -0.195 3.931 4.120 0.009 0.000 0.246 106 V C 1.088 177.314 176.094 0.219 0.000 1.047 106 V CA 1.357 63.845 62.300 0.313 0.000 1.015 106 V CB -0.173 31.822 31.823 0.286 0.000 0.642 106 V HN 0.542 nan 8.190 nan 0.000 0.446 107 L N 2.547 123.847 121.223 0.128 0.000 2.297 107 L HA 0.397 4.742 4.340 0.009 0.000 0.277 107 L C -1.753 175.174 176.870 0.094 0.000 1.040 107 L CA -1.423 53.480 54.840 0.105 0.000 0.867 107 L CB 0.594 42.657 42.059 0.008 0.000 1.244 107 L HN 0.231 nan 8.230 nan 0.000 0.433 123 E N 0.397 120.604 120.200 0.012 0.000 2.076 123 E HA -0.089 4.267 4.350 0.009 0.000 0.190 123 E C 1.892 178.500 176.600 0.013 0.000 0.979 123 E CA 1.452 57.858 56.400 0.010 0.000 0.807 123 E CB -0.131 29.573 29.700 0.007 0.000 0.761 123 E HN 0.608 nan 8.360 nan 0.000 0.454 124 Q N 0.821 120.630 119.800 0.015 0.000 2.224 124 Q HA -0.065 4.280 4.340 0.009 0.000 0.203 124 Q C 1.935 177.953 176.000 0.029 0.000 0.970 124 Q CA 0.893 56.708 55.803 0.020 0.000 0.865 124 Q CB -0.097 28.650 28.738 0.015 0.000 0.922 124 Q HN 0.387 nan 8.270 nan 0.000 0.445 125 L N -0.836 120.407 121.223 0.033 0.000 2.027 125 L HA -0.119 4.226 4.340 0.009 0.000 0.206 125 L C 1.868 178.773 176.870 0.058 0.000 1.074 125 L CA 0.849 55.723 54.840 0.057 0.000 0.745 125 L CB -0.337 41.762 42.059 0.067 0.000 0.898 125 L HN 0.329 nan 8.230 nan 0.000 0.433 126 L N -0.620 120.619 121.223 0.026 0.000 2.046 126 L HA -0.212 4.133 4.340 0.009 0.000 0.208 126 L C 2.662 179.533 176.870 0.003 0.000 1.077 126 L CA 1.882 56.717 54.840 -0.008 0.000 0.747 126 L CB -0.844 41.206 42.059 -0.014 0.000 0.896 126 L HN 0.248 nan 8.230 nan 0.000 0.432 127 S N -0.972 114.739 115.700 0.018 0.000 2.374 127 S HA -0.273 4.202 4.470 0.009 0.000 0.227 127 S C 1.855 176.486 174.600 0.050 0.000 1.037 127 S CA 1.528 59.744 58.200 0.028 0.000 1.024 127 S CB -0.259 62.956 63.200 0.026 0.000 0.861 127 S HN 0.562 nan 8.310 nan 0.000 0.456 128 Q N 0.240 120.079 119.800 0.065 0.000 2.137 128 Q HA 0.103 4.448 4.340 0.009 0.000 0.198 128 Q C 2.585 178.677 176.000 0.152 0.000 0.960 128 Q CA 1.029 56.890 55.803 0.097 0.000 0.847 128 Q CB -0.304 28.484 28.738 0.085 0.000 0.915 128 Q HN 0.586 nan 8.270 nan 0.000 0.448 129 A N 1.368 124.269 122.820 0.136 0.000 1.877 129 A HA -0.224 4.101 4.320 0.009 0.000 0.216 129 A C 2.017 179.674 177.584 0.121 0.000 1.186 129 A CA 1.449 53.569 52.037 0.138 0.000 0.620 129 A CB -0.423 18.473 19.000 -0.172 0.000 0.822 129 A HN 0.183 nan 8.150 nan 0.000 0.443 130 R N -0.314 120.215 120.500 0.049 0.000 2.096 130 R HA -0.168 4.177 4.340 0.009 0.000 0.240 130 R C 2.145 178.511 176.300 0.109 0.000 1.139 130 R CA 1.700 57.830 56.100 0.050 0.000 0.952 130 R CB -0.425 29.887 30.300 0.020 0.000 0.854 130 R HN 0.733 nan 8.270 nan 0.000 0.436 131 D N -0.161 120.315 120.400 0.127 0.000 2.144 131 D HA -0.201 4.444 4.640 0.009 0.000 0.199 131 D C 1.682 178.108 176.300 0.210 0.000 0.984 131 D CA 0.984 55.072 54.000 0.146 0.000 0.834 131 D CB 0.036 40.916 40.800 0.133 0.000 0.955 131 D HN 0.136 nan 8.370 nan 0.000 0.465 132 F N 1.596 121.630 119.950 0.140 0.000 2.146 132 F HA -0.142 4.389 4.527 0.008 0.000 0.298 132 F C 2.198 178.154 175.800 0.261 0.000 1.096 132 F CA 0.861 58.980 58.000 0.199 0.000 1.275 132 F CB -0.359 38.761 39.000 0.200 0.000 1.008 132 F HN -0.102 nan 8.300 nan 0.000 0.480 133 I N 0.930 121.494 120.570 -0.010 0.000 2.179 133 I HA -0.312 3.863 4.170 0.009 0.000 0.242 133 I C 2.012 178.171 176.117 0.069 0.000 1.088 133 I CA 1.214 62.515 61.300 0.002 0.000 1.357 133 I CB -1.731 36.359 38.000 0.150 0.000 1.051 133 I HN 0.193 nan 8.210 nan 0.000 0.409 134 N N 1.204 119.979 118.700 0.125 0.000 2.060 134 N HA -0.250 4.495 4.740 0.009 0.000 0.195 134 N C 1.810 177.291 175.510 -0.049 0.000 1.028 134 N CA 1.396 54.495 53.050 0.083 0.000 0.861 134 N CB -0.543 38.023 38.487 0.132 0.000 1.029 134 N HN 0.519 nan 8.380 nan 0.000 0.428 135 Q N -1.044 118.742 119.800 -0.024 0.000 2.124 135 Q HA -0.162 4.183 4.340 0.009 0.000 0.202 135 Q C 1.734 177.623 176.000 -0.186 0.000 0.977 135 Q CA 1.136 56.948 55.803 0.014 0.000 0.850 135 Q CB -0.159 28.701 28.738 0.205 0.000 0.901 135 Q HN 0.509 nan 8.270 nan 0.000 0.429 136 Y N -0.247 119.740 120.300 -0.522 0.000 2.130 136 Y HA -0.249 4.306 4.550 0.007 0.000 0.287 136 Y C 1.723 177.172 175.900 -0.752 0.000 1.124 136 Y CA 1.447 58.994 58.100 -0.920 0.000 1.118 136 Y CB -0.558 37.436 38.460 -0.777 0.000 0.994 136 Y HN 0.032 nan 8.280 nan 0.000 0.497 137 Y N 0.269 120.212 120.300 -0.596 0.000 2.256 137 Y HA -0.268 4.288 4.550 0.010 0.000 0.288 137 Y C 2.789 178.364 175.900 -0.541 0.000 1.155 137 Y CA 1.844 59.556 58.100 -0.646 0.000 1.203 137 Y CB -0.616 37.350 38.460 -0.823 0.000 0.980 137 Y HN 0.127 nan 8.280 nan 0.000 0.530 138 S N -0.484 115.017 115.700 -0.332 0.000 2.359 138 S HA -0.248 4.228 4.470 0.009 0.000 0.224 138 S C 2.185 176.605 174.600 -0.300 0.000 1.035 138 S CA 1.674 59.728 58.200 -0.243 0.000 1.018 138 S CB -0.727 62.382 63.200 -0.152 0.000 0.876 138 S HN 0.652 nan 8.310 nan 0.000 0.448 139 S N 1.815 117.240 115.700 -0.459 0.000 2.507 139 S HA 0.018 4.493 4.470 0.009 0.000 0.235 139 S C 1.425 175.758 174.600 -0.445 0.000 0.988 139 S CA 0.791 58.735 58.200 -0.427 0.000 0.944 139 S CB -0.783 62.058 63.200 -0.599 0.000 0.762 139 S HN 0.755 nan 8.310 nan 0.000 0.526 140 I N -3.869 116.367 120.570 -0.557 0.000 3.974 140 I HA 0.454 4.630 4.170 0.009 0.000 0.334 140 I C -0.119 175.830 176.117 -0.280 0.000 1.437 140 I CA -0.575 60.453 61.300 -0.455 0.000 1.113 140 I CB 0.238 37.850 38.000 -0.647 0.000 1.063 140 I HN -0.133 nan 8.210 nan 0.000 0.400 141 K N 1.358 121.620 120.400 -0.230 0.000 3.341 141 K HA -0.143 4.182 4.320 0.009 0.000 0.305 141 K C 0.219 176.768 176.600 -0.085 0.000 1.270 141 K CA 0.593 56.800 56.287 -0.133 0.000 0.897 141 K CB -1.737 30.702 32.500 -0.101 0.000 1.264 141 K HN 0.500 nan 8.250 nan 0.000 0.468 142 R N 0.314 120.768 120.500 -0.077 0.000 2.696 142 R HA 0.110 4.455 4.340 0.009 0.000 0.355 142 R C 0.157 176.496 176.300 0.066 0.000 1.138 142 R CA -0.131 55.991 56.100 0.036 0.000 1.059 142 R CB 0.667 31.056 30.300 0.148 0.000 1.380 142 R HN 0.156 nan 8.270 nan 0.000 0.578 143 S N -0.080 115.621 115.700 0.002 0.000 2.443 143 S HA 0.344 4.819 4.470 0.009 0.000 0.284 143 S C 1.179 175.882 174.600 0.171 0.000 1.206 143 S CA 0.962 59.186 58.200 0.040 0.000 1.074 143 S CB 0.177 63.367 63.200 -0.016 0.000 0.963 143 S HN 0.723 nan 8.310 nan 0.000 0.501 144 G N 3.207 112.245 108.800 0.397 0.000 2.184 144 G HA2 -0.236 3.729 3.960 0.009 0.000 0.206 144 G HA3 -0.236 3.729 3.960 0.009 0.000 0.206 144 G C 0.274 175.191 174.900 0.028 0.000 0.995 144 G CA 0.164 45.334 45.100 0.116 0.000 0.651 144 G HN 1.454 nan 8.290 nan 0.000 0.511 145 S N -0.403 115.340 115.700 0.072 0.000 2.641 145 S HA 0.458 4.933 4.470 0.009 0.000 0.261 145 S C 1.523 176.107 174.600 -0.027 0.000 1.257 145 S CA 0.876 59.089 58.200 0.022 0.000 0.983 145 S CB 1.438 64.669 63.200 0.052 0.000 0.990 145 S HN 0.783 nan 8.310 nan 0.000 0.572 146 Q N 0.773 120.561 119.800 -0.020 0.000 2.077 146 Q HA -0.144 4.201 4.340 0.009 0.000 0.206 146 Q C 2.112 178.084 176.000 -0.046 0.000 0.989 146 Q CA 2.112 57.895 55.803 -0.033 0.000 0.853 146 Q CB -0.929 27.802 28.738 -0.011 0.000 0.907 146 Q HN 0.909 nan 8.270 nan 0.000 0.418 147 A N -0.167 122.646 122.820 -0.013 0.000 1.968 147 A HA -0.192 4.133 4.320 0.009 0.000 0.217 147 A C 1.953 179.406 177.584 -0.219 0.000 1.169 147 A CA 1.422 53.462 52.037 0.006 0.000 0.638 147 A CB -0.943 18.162 19.000 0.174 0.000 0.812 147 A HN 0.733 nan 8.150 nan 0.000 0.446 148 H N -0.476 118.236 119.070 -0.596 0.000 2.276 148 H HA -0.083 4.478 4.556 0.009 0.000 0.301 148 H C 1.694 176.730 175.328 -0.487 0.000 1.073 148 H CA 1.242 56.681 56.048 -1.015 0.000 1.311 148 H CB 0.097 29.430 29.762 -0.716 0.000 1.379 148 H HN 0.397 nan 8.280 nan 0.000 0.494 149 E N 0.572 120.553 120.200 -0.365 0.000 2.265 149 E HA -0.141 4.214 4.350 0.009 0.000 0.196 149 E C 1.951 178.441 176.600 -0.183 0.000 0.996 149 E CA 0.680 56.893 56.400 -0.312 0.000 0.832 149 E CB -0.001 29.560 29.700 -0.232 0.000 0.756 149 E HN 0.695 nan 8.360 nan 0.000 0.491 150 E N 0.482 120.598 120.200 -0.139 0.000 2.076 150 E HA -0.135 4.221 4.350 0.009 0.000 0.190 150 E C 2.161 178.732 176.600 -0.048 0.000 0.979 150 E CA 0.524 56.881 56.400 -0.071 0.000 0.807 150 E CB -0.019 29.661 29.700 -0.033 0.000 0.761 150 E HN -0.059 nan 8.360 nan 0.000 0.454 151 R N 1.407 121.876 120.500 -0.051 0.000 2.096 151 R HA -0.105 4.240 4.340 0.009 0.000 0.235 151 R C 2.109 178.401 176.300 -0.012 0.000 1.127 151 R CA 1.070 57.180 56.100 0.018 0.000 0.968 151 R CB -0.574 29.791 30.300 0.108 0.000 0.861 151 R HN 0.126 nan 8.270 nan 0.000 0.440 152 L N 0.065 121.246 121.223 -0.069 0.000 1.994 152 L HA -0.227 4.118 4.340 0.009 0.000 0.208 152 L C 2.618 179.443 176.870 -0.074 0.000 1.071 152 L CA 1.921 56.712 54.840 -0.082 0.000 0.745 152 L CB -0.499 41.474 42.059 -0.145 0.000 0.892 152 L HN 0.319 nan 8.230 nan 0.000 0.431 153 Q N -0.658 119.099 119.800 -0.071 0.000 2.124 153 Q HA -0.250 4.095 4.340 0.009 0.000 0.202 153 Q C 2.193 178.176 176.000 -0.030 0.000 0.977 153 Q CA 1.415 57.187 55.803 -0.051 0.000 0.850 153 Q CB -0.132 28.577 28.738 -0.048 0.000 0.901 153 Q HN 0.431 nan 8.270 nan 0.000 0.429 154 E N 0.116 120.306 120.200 -0.016 0.000 2.153 154 E HA -0.156 4.199 4.350 0.009 0.000 0.194 154 E C 1.863 178.472 176.600 0.014 0.000 0.988 154 E CA 0.925 57.332 56.400 0.011 0.000 0.811 154 E CB 0.266 29.985 29.700 0.032 0.000 0.746 154 E HN 0.169 nan 8.360 nan 0.000 0.466 155 V N 1.092 120.990 119.914 -0.026 0.000 2.488 155 V HA -0.147 3.979 4.120 0.009 0.000 0.246 155 V C 2.221 178.252 176.094 -0.105 0.000 1.046 155 V CA 1.231 63.475 62.300 -0.094 0.000 1.053 155 V CB -0.235 31.453 31.823 -0.225 0.000 0.679 155 V HN 0.208 nan 8.190 nan 0.000 0.458 156 E N 0.363 120.516 120.200 -0.078 0.000 2.058 156 E HA -0.235 4.121 4.350 0.009 0.000 0.194 156 E C 2.332 178.924 176.600 -0.014 0.000 0.997 156 E CA 1.575 57.945 56.400 -0.050 0.000 0.801 156 E CB -0.183 29.491 29.700 -0.044 0.000 0.746 156 E HN 0.568 nan 8.360 nan 0.000 0.450 157 A N 1.096 123.915 122.820 -0.002 0.000 1.898 157 A HA -0.221 4.104 4.320 0.009 0.000 0.216 157 A C 2.014 179.622 177.584 0.041 0.000 1.181 157 A CA 1.746 53.793 52.037 0.017 0.000 0.620 157 A CB -0.456 18.554 19.000 0.016 0.000 0.819 157 A HN 0.220 nan 8.150 nan 0.000 0.442 158 E N -0.042 120.194 120.200 0.060 0.000 2.033 158 E HA -0.178 4.177 4.350 0.009 0.000 0.199 158 E C 1.785 178.450 176.600 0.108 0.000 1.011 158 E CA 2.137 58.604 56.400 0.112 0.000 0.815 158 E CB -0.340 29.468 29.700 0.179 0.000 0.755 158 E HN 0.253 nan 8.360 nan 0.000 0.451 159 V N 1.017 120.983 119.914 0.087 0.000 2.427 159 V HA -0.231 3.894 4.120 0.009 0.000 0.248 159 V C 2.377 178.501 176.094 0.050 0.000 1.051 159 V CA 1.531 63.878 62.300 0.079 0.000 1.048 159 V CB -1.065 30.792 31.823 0.055 0.000 0.666 159 V HN 0.494 nan 8.190 nan 0.000 0.456 160 A N 1.254 124.094 122.820 0.034 0.000 1.869 160 A HA -0.292 4.033 4.320 0.009 0.000 0.218 160 A C 2.461 180.063 177.584 0.031 0.000 1.203 160 A CA 2.992 55.044 52.037 0.025 0.000 0.638 160 A CB -0.875 18.136 19.000 0.017 0.000 0.831 160 A HN 0.723 nan 8.150 nan 0.000 0.450 161 S N -2.314 113.410 115.700 0.039 0.000 2.524 161 S HA 0.049 4.524 4.470 0.009 0.000 0.216 161 S C 1.308 175.936 174.600 0.046 0.000 0.987 161 S CA 1.228 59.452 58.200 0.039 0.000 0.909 161 S CB -0.235 62.988 63.200 0.038 0.000 0.781 161 S HN 0.902 nan 8.310 nan 0.000 0.521 162 T N -4.217 110.372 114.554 0.058 0.000 3.016 162 T HA 0.565 4.920 4.350 0.009 0.000 0.271 162 T C 1.595 176.326 174.700 0.051 0.000 0.968 162 T CA 0.780 62.918 62.100 0.063 0.000 0.891 162 T CB 0.208 69.132 68.868 0.093 0.000 1.149 162 T HN 0.997 nan 8.240 nan 0.000 0.524 163 G N 0.742 109.570 108.800 0.048 0.000 2.363 163 G HA2 -0.266 3.699 3.960 0.009 0.000 0.238 163 G HA3 -0.266 3.699 3.960 0.009 0.000 0.238 163 G C 0.288 175.213 174.900 0.042 0.000 1.062 163 G CA 0.573 45.695 45.100 0.037 0.000 0.629 163 G HN 0.944 nan 8.290 nan 0.000 0.514 164 T N -0.514 114.063 114.554 0.038 0.000 2.883 164 T HA 0.737 5.092 4.350 0.009 0.000 0.284 164 T C -0.593 174.158 174.700 0.085 0.000 1.041 164 T CA 0.323 62.420 62.100 -0.004 0.000 1.007 164 T CB 1.452 70.228 68.868 -0.153 0.000 1.220 164 T HN 1.281 nan 8.240 nan 0.000 0.552 165 Y N -0.991 119.206 120.300 -0.173 0.000 2.715 165 Y HA 0.747 5.302 4.550 0.008 0.000 0.331 165 Y C -0.997 174.700 175.900 -0.338 0.000 1.197 165 Y CA -1.199 56.836 58.100 -0.109 0.000 1.079 165 Y CB 1.029 39.492 38.460 0.005 0.000 1.298 165 Y HN 0.626 nan 8.280 nan 0.000 0.477 166 H N 1.101 120.189 119.070 0.031 0.000 2.768 166 H HA 0.494 5.055 4.556 0.008 0.000 0.371 166 H C -1.276 174.108 175.328 0.092 0.000 1.151 166 H CA -0.883 55.138 56.048 -0.045 0.000 1.165 166 H CB 2.713 32.483 29.762 0.014 0.000 1.722 166 H HN 0.572 nan 8.280 nan 0.000 0.543 167 L N 2.896 124.208 121.223 0.148 0.000 2.305 167 L HA 0.297 4.642 4.340 0.009 0.000 0.281 167 L C 0.817 177.767 176.870 0.134 0.000 1.085 167 L CA -0.522 54.422 54.840 0.173 0.000 0.813 167 L CB 0.718 42.851 42.059 0.123 0.000 1.157 167 L HN 0.382 nan 8.230 nan 0.000 0.436 168 R N 2.232 122.797 120.500 0.108 0.000 2.698 168 R HA -0.078 4.267 4.340 0.009 0.000 0.266 168 R C 1.208 177.519 176.300 0.018 0.000 1.026 168 R CA -0.168 55.960 56.100 0.046 0.000 1.102 168 R CB 0.550 30.856 30.300 0.009 0.000 0.978 168 R HN 0.657 nan 8.270 nan 0.000 0.436 169 E N 1.633 121.843 120.200 0.017 0.000 2.086 169 E HA -0.302 4.053 4.350 0.009 0.000 0.205 169 E C 1.537 178.141 176.600 0.006 0.000 1.027 169 E CA 2.636 59.039 56.400 0.005 0.000 0.830 169 E CB 0.077 29.782 29.700 0.008 0.000 0.751 169 E HN 0.726 nan 8.360 nan 0.000 0.456 170 S N -0.119 115.587 115.700 0.011 0.000 2.428 170 S HA -0.105 4.370 4.470 0.009 0.000 0.230 170 S C 1.736 176.372 174.600 0.059 0.000 1.014 170 S CA 0.987 59.224 58.200 0.061 0.000 0.957 170 S CB -0.213 63.052 63.200 0.108 0.000 0.784 170 S HN 0.286 nan 8.310 nan 0.000 0.499 171 E N 0.986 121.087 120.200 -0.165 0.000 2.110 171 E HA -0.066 4.289 4.350 0.009 0.000 0.193 171 E C 1.954 178.672 176.600 0.196 0.000 0.988 171 E CA 1.082 57.400 56.400 -0.136 0.000 0.804 171 E CB -0.302 29.301 29.700 -0.161 0.000 0.745 171 E HN 0.434 nan 8.360 nan 0.000 0.458 172 L N 0.427 121.688 121.223 0.064 0.000 2.093 172 L HA -0.105 4.241 4.340 0.009 0.000 0.208 172 L C 2.110 178.970 176.870 -0.018 0.000 1.085 172 L CA 1.235 56.058 54.840 -0.029 0.000 0.755 172 L CB -0.128 41.864 42.059 -0.111 0.000 0.904 172 L HN -0.062 nan 8.230 nan 0.000 0.435 173 V N -0.404 119.539 119.914 0.048 0.000 2.515 173 V HA -0.261 3.865 4.120 0.009 0.000 0.250 173 V C 2.252 178.436 176.094 0.150 0.000 1.058 173 V CA 1.917 64.249 62.300 0.053 0.000 1.064 173 V CB -0.720 31.134 31.823 0.051 0.000 0.675 173 V HN 0.637 nan 8.190 nan 0.000 0.461 174 F N 1.577 121.610 119.950 0.138 0.000 2.234 174 F HA 0.167 4.698 4.527 0.007 0.000 0.296 174 F C 2.057 177.999 175.800 0.236 0.000 1.089 174 F CA 1.489 59.623 58.000 0.223 0.000 1.343 174 F CB -0.667 38.529 39.000 0.326 0.000 1.040 174 F HN 0.083 nan 8.300 nan 0.000 0.498 175 G N 0.202 108.903 108.800 -0.166 0.000 2.403 175 G HA2 -0.109 3.857 3.960 0.009 0.000 0.216 175 G HA3 -0.109 3.857 3.960 0.009 0.000 0.216 175 G C 1.824 176.531 174.900 -0.322 0.000 1.154 175 G CA 0.625 45.523 45.100 -0.337 0.000 0.784 175 G HN 0.595 nan 8.290 nan 0.000 0.538 176 A N 1.143 123.825 122.820 -0.231 0.000 1.892 176 A HA -0.082 4.243 4.320 0.009 0.000 0.218 176 A C 2.282 179.855 177.584 -0.018 0.000 1.188 176 A CA 1.996 53.926 52.037 -0.178 0.000 0.631 176 A CB -0.375 18.549 19.000 -0.127 0.000 0.822 176 A HN 0.362 nan 8.150 nan 0.000 0.447 177 K N -1.359 119.067 120.400 0.044 0.000 2.217 177 K HA -0.127 4.199 4.320 0.009 0.000 0.202 177 K C 2.293 178.979 176.600 0.143 0.000 1.051 177 K CA 1.378 57.807 56.287 0.236 0.000 0.952 177 K CB -0.047 32.644 32.500 0.319 0.000 0.736 177 K HN 0.467 nan 8.250 nan 0.000 0.453 178 Q N 0.670 120.384 119.800 -0.143 0.000 2.123 178 Q HA 0.049 4.394 4.340 0.009 0.000 0.196 178 Q C 1.867 177.750 176.000 -0.196 0.000 0.958 178 Q CA 1.394 57.026 55.803 -0.284 0.000 0.841 178 Q CB -0.163 28.248 28.738 -0.545 0.000 0.915 178 Q HN 0.265 nan 8.270 nan 0.000 0.455 179 A N -0.337 122.355 122.820 -0.214 0.000 1.986 179 A HA -0.205 4.120 4.320 0.009 0.000 0.220 179 A C 1.787 179.451 177.584 0.133 0.000 1.171 179 A CA 1.731 53.621 52.037 -0.244 0.000 0.640 179 A CB -1.091 17.467 19.000 -0.736 0.000 0.811 179 A HN 0.720 nan 8.150 nan 0.000 0.451 180 W N 0.587 121.948 121.300 0.101 0.000 2.523 180 W HA 0.034 4.698 4.660 0.006 0.000 0.278 180 W C 2.166 178.679 176.519 -0.011 0.000 1.236 180 W CA 0.889 58.316 57.345 0.136 0.000 1.306 180 W CB -0.430 29.073 29.460 0.071 0.000 1.101 180 W HN 0.358 nan 8.180 nan 0.000 0.577 181 R N 0.607 121.042 120.500 -0.108 0.000 2.092 181 R HA -0.144 4.201 4.340 0.009 0.000 0.231 181 R C 1.228 177.382 176.300 -0.244 0.000 1.119 181 R CA 1.763 57.599 56.100 -0.440 0.000 0.970 181 R CB -0.646 29.108 30.300 -0.910 0.000 0.864 181 R HN -0.019 nan 8.270 nan 0.000 0.440 182 N N 0.656 119.268 118.700 -0.147 0.000 2.521 182 N HA 0.021 4.767 4.740 0.009 0.000 0.188 182 N C -0.524 174.955 175.510 -0.051 0.000 1.146 182 N CA 0.711 53.699 53.050 -0.103 0.000 0.893 182 N CB 0.527 38.956 38.487 -0.097 0.000 0.975 182 N HN 0.227 nan 8.380 nan 0.000 0.451 183 A N 1.533 124.369 122.820 0.025 0.000 2.457 183 A HA 0.302 4.627 4.320 0.009 0.000 0.298 183 A C -1.409 176.164 177.584 -0.018 0.000 1.288 183 A CA -1.050 51.004 52.037 0.028 0.000 0.956 183 A CB 0.425 19.487 19.000 0.103 0.000 1.135 183 A HN -0.004 nan 8.150 nan 0.000 0.535 184 P HA -0.027 nan 4.420 nan 0.000 0.233 184 P C 0.998 178.248 177.300 -0.084 0.000 1.167 184 P CA 0.900 63.950 63.100 -0.083 0.000 0.770 184 P CB 0.235 31.845 31.700 -0.151 0.000 0.837 185 R N -2.169 118.248 120.500 -0.138 0.000 2.397 185 R HA 0.181 4.526 4.340 0.009 0.000 0.241 185 R C 0.092 176.365 176.300 -0.046 0.000 0.914 185 R CA -0.125 55.880 56.100 -0.158 0.000 1.071 185 R CB -0.090 29.946 30.300 -0.440 0.000 1.116 185 R HN 0.164 nan 8.270 nan 0.000 0.524 186 C N 0.769 120.049 119.300 -0.032 0.000 2.285 186 C HA 0.247 4.712 4.460 0.009 0.000 0.335 186 C C 1.806 176.757 174.990 -0.065 0.000 1.267 186 C CA -0.604 58.420 59.018 0.009 0.000 1.762 186 C CB 0.804 28.614 27.740 0.116 0.000 2.365 186 C HN 0.254 nan 8.230 nan 0.000 0.527 187 V N 6.320 126.151 119.914 -0.139 0.000 3.623 187 V HA 0.225 4.350 4.120 0.009 0.000 0.271 187 V C 1.729 177.835 176.094 0.020 0.000 1.248 187 V CA 1.903 64.013 62.300 -0.316 0.000 1.156 187 V CB -0.246 31.409 31.823 -0.281 0.000 0.870 187 V HN 1.108 nan 8.190 nan 0.000 0.453 188 G N -0.345 108.527 108.800 0.120 0.000 2.985 188 G HA2 -0.029 3.936 3.960 0.009 0.000 0.209 188 G HA3 -0.029 3.936 3.960 0.009 0.000 0.209 188 G C 1.407 176.412 174.900 0.175 0.000 1.165 188 G CA -0.168 45.051 45.100 0.198 0.000 0.776 188 G HN 0.486 nan 8.290 nan 0.000 0.541 189 R N -0.235 120.258 120.500 -0.013 0.000 2.285 189 R HA 0.159 4.504 4.340 0.009 0.000 0.213 189 R C 2.056 177.995 176.300 -0.602 0.000 1.068 189 R CA 0.167 55.967 56.100 -0.499 0.000 1.004 189 R CB -0.212 29.728 30.300 -0.601 0.000 0.873 189 R HN 0.409 nan 8.270 nan 0.000 0.467 190 I N 1.081 121.472 120.570 -0.300 0.000 2.700 190 I HA -0.246 3.929 4.170 0.009 0.000 0.261 190 I C 1.186 177.261 176.117 -0.069 0.000 1.219 190 I CA 1.311 62.587 61.300 -0.039 0.000 1.463 190 I CB 0.181 38.242 38.000 0.103 0.000 1.092 190 I HN 0.206 nan 8.210 nan 0.000 0.452 191 Q N 0.215 119.903 119.800 -0.186 0.000 2.282 191 Q HA -0.056 4.289 4.340 0.009 0.000 0.206 191 Q C 1.511 177.152 176.000 -0.599 0.000 0.878 191 Q CA 0.084 55.770 55.803 -0.196 0.000 0.944 191 Q CB -0.098 28.682 28.738 0.070 0.000 1.100 191 Q HN 0.765 nan 8.270 nan 0.000 0.509 192 W N 0.535 121.169 121.300 -1.110 0.000 2.290 192 W HA -0.190 4.477 4.660 0.012 0.000 0.311 192 W C 1.156 177.360 176.519 -0.524 0.000 1.238 192 W CA 1.451 57.959 57.345 -1.395 0.000 1.255 192 W CB -1.352 27.489 29.460 -1.031 0.000 1.145 192 W HN 0.096 nan 8.180 nan 0.000 0.506 193 G N 1.115 109.103 108.800 -1.353 0.000 2.598 193 G HA2 -0.181 3.784 3.960 0.009 0.000 0.215 193 G HA3 -0.181 3.784 3.960 0.009 0.000 0.215 193 G C 1.049 175.688 174.900 -0.436 0.000 1.131 193 G CA 0.046 44.480 45.100 -1.109 0.000 0.785 193 G HN 0.214 nan 8.290 nan 0.000 0.539 194 K N 0.393 120.647 120.400 -0.244 0.000 2.457 194 K HA 0.398 4.723 4.320 0.009 0.000 0.226 194 K C -1.419 175.252 176.600 0.118 0.000 1.114 194 K CA -0.548 55.716 56.287 -0.038 0.000 1.089 194 K CB 0.183 32.694 32.500 0.018 0.000 1.739 194 K HN 0.151 nan 8.250 nan 0.000 0.473 195 L N 1.966 123.250 121.223 0.103 0.000 2.362 195 L HA 0.350 4.695 4.340 0.009 0.000 0.275 195 L C -0.836 176.014 176.870 -0.034 0.000 0.998 195 L CA -0.499 54.420 54.840 0.132 0.000 0.820 195 L CB 1.842 44.053 42.059 0.254 0.000 1.270 195 L HN 0.207 nan 8.230 nan 0.000 0.415 196 Q N 2.779 122.502 119.800 -0.129 0.000 2.293 196 Q HA 0.416 4.761 4.340 0.009 0.000 0.263 196 Q C -1.339 174.290 176.000 -0.618 0.000 1.002 196 Q CA 0.134 55.671 55.803 -0.444 0.000 0.910 196 Q CB 1.040 29.366 28.738 -0.686 0.000 1.185 196 Q HN 0.532 nan 8.270 nan 0.000 0.401 197 V N 6.211 125.796 119.914 -0.548 0.000 2.328 197 V HA 0.346 4.472 4.120 0.009 0.000 0.278 197 V C -0.717 175.078 176.094 -0.498 0.000 1.021 197 V CA -0.581 61.466 62.300 -0.423 0.000 0.838 197 V CB 0.285 31.980 31.823 -0.213 0.000 0.999 197 V HN 0.589 nan 8.190 nan 0.000 0.447 198 F N 2.775 122.594 119.950 -0.219 0.000 2.371 198 F HA 0.348 4.877 4.527 0.004 0.000 0.363 198 F C 0.681 176.316 175.800 -0.275 0.000 1.122 198 F CA -1.080 56.780 58.000 -0.234 0.000 1.129 198 F CB 0.669 39.522 39.000 -0.246 0.000 1.173 198 F HN 0.410 nan 8.300 nan 0.000 0.489 199 D N 3.072 123.443 120.400 -0.047 0.000 2.339 199 D HA 0.341 4.986 4.640 0.009 0.000 0.256 199 D C 0.127 176.265 176.300 -0.271 0.000 1.214 199 D CA 0.274 54.181 54.000 -0.155 0.000 0.877 199 D CB 1.256 42.005 40.800 -0.085 0.000 1.111 199 D HN 0.647 nan 8.370 nan 0.000 0.478 200 A N 4.607 127.127 122.820 -0.500 0.000 2.631 200 A HA 0.152 4.477 4.320 0.009 0.000 0.294 200 A C 1.444 178.748 177.584 -0.468 0.000 1.156 200 A CA -0.393 51.114 52.037 -0.883 0.000 0.963 200 A CB 0.141 18.108 19.000 -1.721 0.000 1.202 200 A HN 0.539 nan 8.150 nan 0.000 0.523 201 R N 0.644 121.004 120.500 -0.232 0.000 2.316 201 R HA -0.058 4.287 4.340 0.009 0.000 0.202 201 R C 0.899 177.174 176.300 -0.042 0.000 1.029 201 R CA 1.089 57.127 56.100 -0.104 0.000 1.018 201 R CB 0.082 30.371 30.300 -0.018 0.000 0.888 201 R HN 0.678 nan 8.270 nan 0.000 0.471 202 D N -0.250 120.143 120.400 -0.012 0.000 2.348 202 D HA -0.084 4.561 4.640 0.009 0.000 0.211 202 D C 0.428 176.824 176.300 0.161 0.000 0.998 202 D CA -0.122 53.925 54.000 0.079 0.000 0.873 202 D CB -0.480 40.383 40.800 0.107 0.000 0.925 202 D HN 0.009 nan 8.370 nan 0.000 0.524 203 C N 2.229 121.642 119.300 0.189 0.000 2.638 203 C HA 0.320 4.786 4.460 0.009 0.000 0.410 203 C C 1.699 176.918 174.990 0.382 0.000 1.404 203 C CA 0.472 59.709 59.018 0.364 0.000 1.651 203 C CB -0.838 27.194 27.740 0.486 0.000 2.495 203 C HN 0.410 nan 8.230 nan 0.000 0.606 204 S N 2.870 118.783 115.700 0.354 0.000 2.666 204 S HA 0.268 4.743 4.470 0.009 0.000 0.239 204 S C 0.141 174.878 174.600 0.229 0.000 1.031 204 S CA 0.213 58.606 58.200 0.321 0.000 1.015 204 S CB -0.137 63.186 63.200 0.205 0.000 0.981 204 S HN 1.179 nan 8.310 nan 0.000 0.547 205 S N -0.153 115.683 115.700 0.227 0.000 2.588 205 S HA 0.821 5.297 4.470 0.009 0.000 0.275 205 S C 0.811 175.478 174.600 0.113 0.000 1.130 205 S CA -0.243 58.032 58.200 0.126 0.000 0.855 205 S CB 1.220 64.487 63.200 0.113 0.000 1.116 205 S HN 0.353 nan 8.310 nan 0.000 0.472 206 A N 1.154 124.010 122.820 0.060 0.000 1.898 206 A HA -0.047 4.278 4.320 0.009 0.000 0.216 206 A C 2.117 179.699 177.584 -0.003 0.000 1.181 206 A CA 2.090 54.153 52.037 0.044 0.000 0.620 206 A CB -1.338 17.739 19.000 0.128 0.000 0.819 206 A HN 0.941 nan 8.150 nan 0.000 0.442 207 Q N 0.350 120.250 119.800 0.167 0.000 2.112 207 Q HA -0.243 4.102 4.340 0.009 0.000 0.206 207 Q C 1.836 177.842 176.000 0.009 0.000 0.987 207 Q CA 2.512 58.404 55.803 0.148 0.000 0.858 207 Q CB -0.449 28.425 28.738 0.228 0.000 0.905 207 Q HN 0.759 nan 8.270 nan 0.000 0.420 208 E N -1.218 119.022 120.200 0.068 0.000 2.208 208 E HA -0.130 4.225 4.350 0.009 0.000 0.193 208 E C 1.825 178.537 176.600 0.187 0.000 0.988 208 E CA 0.838 57.297 56.400 0.098 0.000 0.828 208 E CB -0.038 29.769 29.700 0.178 0.000 0.763 208 E HN 0.475 nan 8.360 nan 0.000 0.478 209 M N -0.265 119.416 119.600 0.135 0.000 2.132 209 M HA -0.104 4.381 4.480 0.009 0.000 0.263 209 M C 1.998 178.360 176.300 0.104 0.000 1.065 209 M CA 1.027 56.422 55.300 0.158 0.000 1.122 209 M CB -0.253 32.197 32.600 -0.250 0.000 1.365 209 M HN 0.169 nan 8.290 nan 0.000 0.411 210 F N 1.174 120.904 119.950 -0.366 0.000 2.120 210 F HA -0.253 4.281 4.527 0.011 0.000 0.300 210 F C 2.218 177.916 175.800 -0.170 0.000 1.095 210 F CA 1.964 59.701 58.000 -0.439 0.000 1.249 210 F CB -0.875 37.551 39.000 -0.956 0.000 0.995 210 F HN 0.063 nan 8.300 nan 0.000 0.480 211 T N -0.346 114.051 114.554 -0.261 0.000 2.643 211 T HA -0.224 4.131 4.350 0.009 0.000 0.264 211 T C 1.706 176.255 174.700 -0.252 0.000 1.045 211 T CA 1.851 63.755 62.100 -0.327 0.000 1.155 211 T CB -0.857 67.859 68.868 -0.253 0.000 0.863 211 T HN 0.266 nan 8.240 nan 0.000 0.420 212 Y N 1.308 121.575 120.300 -0.055 0.000 2.069 212 Y HA -0.160 4.394 4.550 0.007 0.000 0.278 212 Y C 2.319 178.179 175.900 -0.067 0.000 1.175 212 Y CA 0.944 59.014 58.100 -0.050 0.000 1.134 212 Y CB -0.745 37.752 38.460 0.061 0.000 0.965 212 Y HN 0.201 nan 8.280 nan 0.000 0.498 213 I N -1.668 119.011 120.570 0.181 0.000 2.264 213 I HA -0.376 3.799 4.170 0.009 0.000 0.248 213 I C 2.371 178.458 176.117 -0.050 0.000 1.111 213 I CA 1.160 62.513 61.300 0.088 0.000 1.382 213 I CB -0.544 37.506 38.000 0.082 0.000 1.060 213 I HN 0.313 nan 8.210 nan 0.000 0.418 214 C N 0.628 119.784 119.300 -0.241 0.000 2.440 214 C HA -0.102 4.363 4.460 0.009 0.000 0.278 214 C C 2.615 177.520 174.990 -0.142 0.000 1.295 214 C CA 0.746 59.598 59.018 -0.277 0.000 1.738 214 C CB -1.361 26.063 27.740 -0.527 0.000 1.987 214 C HN 0.542 nan 8.230 nan 0.000 0.492 215 N N 0.149 118.754 118.700 -0.158 0.000 2.084 215 N HA -0.142 4.603 4.740 0.009 0.000 0.190 215 N C 1.378 176.830 175.510 -0.096 0.000 1.030 215 N CA 1.459 54.413 53.050 -0.160 0.000 0.849 215 N CB -0.882 37.439 38.487 -0.276 0.000 1.012 215 N HN 0.720 nan 8.380 nan 0.000 0.423 216 H N 0.573 119.535 119.070 -0.180 0.000 2.252 216 H HA -0.088 4.475 4.556 0.011 0.000 0.292 216 H C 2.045 177.435 175.328 0.104 0.000 1.082 216 H CA 2.176 58.211 56.048 -0.021 0.000 1.229 216 H CB -0.173 29.609 29.762 0.033 0.000 1.353 216 H HN 0.121 nan 8.280 nan 0.000 0.488 217 I N 0.477 121.220 120.570 0.288 0.000 2.163 217 I HA -0.290 3.885 4.170 0.009 0.000 0.243 217 I C 2.541 178.745 176.117 0.144 0.000 1.085 217 I CA 1.409 62.823 61.300 0.190 0.000 1.347 217 I CB -0.338 37.697 38.000 0.058 0.000 1.044 217 I HN 0.330 nan 8.210 nan 0.000 0.408 218 K N 0.147 120.601 120.400 0.090 0.000 2.015 218 K HA -0.289 4.036 4.320 0.009 0.000 0.216 218 K C 2.265 178.926 176.600 0.102 0.000 1.052 218 K CA 2.326 58.653 56.287 0.067 0.000 0.937 218 K CB -0.624 31.891 32.500 0.026 0.000 0.719 218 K HN 0.237 nan 8.250 nan 0.000 0.446 219 Y N 1.054 121.381 120.300 0.045 0.000 2.081 219 Y HA -0.305 4.247 4.550 0.004 0.000 0.280 219 Y C 2.200 178.176 175.900 0.125 0.000 1.163 219 Y CA 1.912 60.068 58.100 0.093 0.000 1.135 219 Y CB -0.414 38.142 38.460 0.160 0.000 0.970 219 Y HN 0.108 nan 8.280 nan 0.000 0.498 220 A N -1.434 121.510 122.820 0.205 0.000 1.970 220 A HA -0.066 4.260 4.320 0.009 0.000 0.216 220 A C 2.154 179.800 177.584 0.104 0.000 1.170 220 A CA 1.792 53.937 52.037 0.180 0.000 0.645 220 A CB -1.013 18.212 19.000 0.376 0.000 0.816 220 A HN 0.508 nan 8.150 nan 0.000 0.447 221 T N -0.082 114.532 114.554 0.100 0.000 2.896 221 T HA -0.054 4.301 4.350 0.009 0.000 0.263 221 T C 1.069 175.783 174.700 0.023 0.000 1.050 221 T CA 0.907 63.057 62.100 0.083 0.000 1.140 221 T CB -0.362 68.554 68.868 0.080 0.000 0.877 221 T HN 0.572 nan 8.240 nan 0.000 0.457 222 N N 1.555 120.239 118.700 -0.028 0.000 2.702 222 N HA -0.254 4.491 4.740 0.009 0.000 0.255 222 N C -0.324 175.166 175.510 -0.034 0.000 0.983 222 N CA 0.396 53.405 53.050 -0.069 0.000 0.768 222 N CB -1.274 37.124 38.487 -0.148 0.000 0.918 222 N HN 0.455 nan 8.380 nan 0.000 0.540 223 R N -2.169 118.323 120.500 -0.012 0.000 3.416 223 R HA -0.236 4.109 4.340 0.009 0.000 0.263 223 R C 1.365 177.655 176.300 -0.017 0.000 1.053 223 R CA 1.107 57.199 56.100 -0.012 0.000 0.705 223 R CB -1.795 28.495 30.300 -0.017 0.000 1.124 223 R HN 0.889 nan 8.270 nan 0.000 0.444 224 G N -0.130 108.668 108.800 -0.004 0.000 2.611 224 G HA2 -0.340 3.626 3.960 0.009 0.000 0.208 224 G HA3 -0.340 3.626 3.960 0.009 0.000 0.208 224 G C 0.067 174.963 174.900 -0.006 0.000 1.201 224 G CA -0.002 45.093 45.100 -0.008 0.000 0.739 224 G HN 0.381 nan 8.290 nan 0.000 0.528 225 N N 2.221 120.903 118.700 -0.029 0.000 2.670 225 N HA 0.289 5.034 4.740 0.009 0.000 0.296 225 N C 0.264 175.762 175.510 -0.019 0.000 1.216 225 N CA 0.088 53.109 53.050 -0.048 0.000 1.123 225 N CB -0.524 37.930 38.487 -0.056 0.000 1.459 225 N HN 0.308 nan 8.380 nan 0.000 0.509 226 L N 2.288 123.529 121.223 0.030 0.000 2.467 226 L HA 0.255 4.600 4.340 0.009 0.000 0.270 226 L C 0.888 177.908 176.870 0.250 0.000 1.205 226 L CA 0.592 55.528 54.840 0.160 0.000 0.828 226 L CB 0.361 42.598 42.059 0.297 0.000 1.101 226 L HN 0.317 nan 8.230 nan 0.000 0.479 227 R N 0.862 121.495 120.500 0.222 0.000 2.538 227 R HA 0.353 4.699 4.340 0.009 0.000 0.292 227 R C -0.787 175.651 176.300 0.231 0.000 1.008 227 R CA -0.610 55.614 56.100 0.207 0.000 0.896 227 R CB 1.882 32.142 30.300 -0.067 0.000 1.187 227 R HN 0.580 nan 8.270 nan 0.000 0.440 228 S N 1.543 117.364 115.700 0.202 0.000 2.537 228 S HA 0.454 4.929 4.470 0.009 0.000 0.286 228 S C -0.436 174.214 174.600 0.084 0.000 1.299 228 S CA 0.130 58.368 58.200 0.065 0.000 1.067 228 S CB 0.912 64.118 63.200 0.011 0.000 0.864 228 S HN 0.659 nan 8.310 nan 0.000 0.494 229 A N 3.361 126.202 122.820 0.035 0.000 2.601 229 A HA 0.806 5.131 4.320 0.009 0.000 0.291 229 A C -1.372 176.225 177.584 0.022 0.000 1.075 229 A CA -0.666 51.321 52.037 -0.083 0.000 0.671 229 A CB 1.148 20.071 19.000 -0.129 0.000 1.277 229 A HN 0.816 nan 8.150 nan 0.000 0.417 230 I N 0.562 121.112 120.570 -0.035 0.000 2.680 230 I HA 0.564 4.739 4.170 0.009 0.000 0.291 230 I C -1.153 175.038 176.117 0.123 0.000 1.244 230 I CA -0.040 61.372 61.300 0.188 0.000 1.042 230 I CB 2.264 40.352 38.000 0.146 0.000 1.277 230 I HN 0.619 nan 8.210 nan 0.000 0.423 231 T N 6.499 121.199 114.554 0.244 0.000 2.795 231 T HA 0.477 4.832 4.350 0.009 0.000 0.282 231 T C -0.568 173.983 174.700 -0.248 0.000 0.980 231 T CA -0.380 61.724 62.100 0.006 0.000 1.012 231 T CB 1.580 70.454 68.868 0.010 0.000 0.936 231 T HN 0.298 nan 8.240 nan 0.000 0.457 232 V N 4.940 124.607 119.914 -0.412 0.000 2.313 232 V HA 0.415 4.541 4.120 0.009 0.000 0.278 232 V C -0.401 175.427 176.094 -0.444 0.000 1.017 232 V CA -0.877 61.191 62.300 -0.388 0.000 0.823 232 V CB -0.177 31.388 31.823 -0.431 0.000 1.010 232 V HN 0.723 nan 8.190 nan 0.000 0.443 233 F N 5.149 125.013 119.950 -0.143 0.000 2.399 233 F HA 0.453 4.986 4.527 0.010 0.000 0.313 233 F C -1.684 173.975 175.800 -0.236 0.000 1.202 233 F CA -2.236 55.611 58.000 -0.254 0.000 1.192 233 F CB 0.080 38.952 39.000 -0.214 0.000 1.256 233 F HN 0.281 nan 8.300 nan 0.000 0.558 234 P HA -0.018 nan 4.420 nan 0.000 0.265 234 P C -0.978 176.231 177.300 -0.152 0.000 1.187 234 P CA -0.133 62.787 63.100 -0.300 0.000 0.766 234 P CB 0.235 31.580 31.700 -0.591 0.000 0.820 235 Q N 3.241 122.933 119.800 -0.180 0.000 2.454 235 Q HA 0.168 4.513 4.340 0.009 0.000 0.247 235 Q C 0.076 175.934 176.000 -0.237 0.000 1.028 235 Q CA -0.459 55.031 55.803 -0.521 0.000 0.910 235 Q CB 0.529 28.681 28.738 -0.978 0.000 1.276 235 Q HN 0.309 nan 8.270 nan 0.000 0.489 236 R N -0.096 120.271 120.500 -0.222 0.000 2.802 236 R HA 0.248 4.593 4.340 0.009 0.000 0.264 236 R C -0.618 175.613 176.300 -0.115 0.000 0.996 236 R CA 0.970 57.009 56.100 -0.101 0.000 1.123 236 R CB 0.167 30.398 30.300 -0.115 0.000 0.996 236 R HN 0.802 nan 8.270 nan 0.000 0.444 237 A N 2.875 125.669 122.820 -0.043 0.000 2.566 237 A HA 0.420 4.745 4.320 0.009 0.000 0.297 237 A C -2.541 175.037 177.584 -0.011 0.000 1.059 237 A CA -1.455 50.560 52.037 -0.037 0.000 0.691 237 A CB 1.535 20.537 19.000 0.003 0.000 1.282 237 A HN 0.458 nan 8.150 nan 0.000 0.401 238 P HA 0.207 nan 4.420 nan 0.000 0.259 238 P C 1.196 178.502 177.300 0.010 0.000 1.163 238 P CA 2.071 65.170 63.100 -0.002 0.000 0.760 238 P CB 0.375 32.078 31.700 0.004 0.000 0.762 239 G N 3.225 112.030 108.800 0.009 0.000 5.426 239 G HA2 -0.308 3.657 3.960 0.009 0.000 0.297 239 G HA3 -0.308 3.657 3.960 0.009 0.000 0.297 239 G C 0.504 175.414 174.900 0.017 0.000 1.422 239 G CA 0.112 45.220 45.100 0.013 0.000 0.938 239 G HN 0.815 nan 8.290 nan 0.000 0.754 240 R N 3.106 123.621 120.500 0.024 0.000 2.503 240 R HA 0.191 4.536 4.340 0.009 0.000 0.271 240 R C 1.029 177.347 176.300 0.030 0.000 0.960 240 R CA 1.481 57.599 56.100 0.031 0.000 1.104 240 R CB -0.549 29.782 30.300 0.051 0.000 0.879 240 R HN 0.955 nan 8.270 nan 0.000 0.420 241 G N 2.096 110.910 108.800 0.023 0.000 2.531 241 G HA2 0.239 4.204 3.960 0.009 0.000 0.313 241 G HA3 0.239 4.204 3.960 0.009 0.000 0.313 241 G C -0.894 174.029 174.900 0.038 0.000 1.238 241 G CA -0.590 44.525 45.100 0.024 0.000 0.994 241 G HN 0.591 nan 8.290 nan 0.000 0.493 242 D N -0.674 119.759 120.400 0.055 0.000 2.283 242 D HA 0.405 5.050 4.640 0.009 0.000 0.248 242 D C -0.233 176.125 176.300 0.096 0.000 1.072 242 D CA 0.055 54.130 54.000 0.126 0.000 0.929 242 D CB 1.170 42.042 40.800 0.120 0.000 1.182 242 D HN 0.027 nan 8.370 nan 0.000 0.433 243 F N 0.942 120.922 119.950 0.049 0.000 2.380 243 F HA 0.473 5.006 4.527 0.009 0.000 0.325 243 F C 0.967 176.805 175.800 0.062 0.000 1.136 243 F CA 0.005 58.024 58.000 0.032 0.000 1.171 243 F CB 0.568 39.574 39.000 0.009 0.000 1.230 243 F HN -0.134 nan 8.300 nan 0.000 0.554 244 R N 1.981 122.625 120.500 0.240 0.000 4.264 244 R HA 0.249 4.594 4.340 0.009 0.000 0.269 244 R C -1.507 174.945 176.300 0.253 0.000 1.051 244 R CA -0.611 55.636 56.100 0.245 0.000 1.332 244 R CB 0.345 30.826 30.300 0.303 0.000 1.251 244 R HN 0.610 nan 8.270 nan 0.000 0.538 245 I N 3.558 124.247 120.570 0.199 0.000 2.396 245 I HA 0.076 4.251 4.170 0.009 0.000 0.289 245 I C 0.856 177.180 176.117 0.345 0.000 1.056 245 I CA -0.198 61.218 61.300 0.194 0.000 1.365 245 I CB 0.631 38.700 38.000 0.116 0.000 1.407 245 I HN 0.508 nan 8.210 nan 0.000 0.509 246 W N 3.468 124.800 121.300 0.053 0.000 2.418 246 W HA -0.040 4.625 4.660 0.008 0.000 0.292 246 W C 0.957 177.555 176.519 0.131 0.000 1.213 246 W CA -0.078 57.349 57.345 0.136 0.000 1.283 246 W CB -0.985 28.549 29.460 0.123 0.000 1.119 246 W HN 0.402 nan 8.180 nan 0.000 0.542 247 N N 0.516 119.362 118.700 0.243 0.000 2.412 247 N HA -0.039 4.706 4.740 0.009 0.000 0.254 247 N C 1.412 176.984 175.510 0.103 0.000 1.232 247 N CA 0.936 54.059 53.050 0.123 0.000 0.880 247 N CB 0.703 39.203 38.487 0.023 0.000 1.076 247 N HN -0.044 nan 8.380 nan 0.000 0.458 248 S N 1.569 117.326 115.700 0.094 0.000 2.399 248 S HA -0.122 4.353 4.470 0.009 0.000 0.231 248 S C 0.397 175.001 174.600 0.006 0.000 1.022 248 S CA 0.894 59.134 58.200 0.066 0.000 0.983 248 S CB 0.057 63.310 63.200 0.088 0.000 0.803 248 S HN 0.674 nan 8.310 nan 0.000 0.480 249 Q N -0.766 119.025 119.800 -0.015 0.000 2.423 249 Q HA 0.516 4.861 4.340 0.009 0.000 0.278 249 Q C 0.364 176.298 176.000 -0.110 0.000 1.097 249 Q CA -0.552 55.207 55.803 -0.074 0.000 0.809 249 Q CB 1.995 30.712 28.738 -0.034 0.000 1.391 249 Q HN 0.153 nan 8.270 nan 0.000 0.428 250 L N 0.227 121.360 121.223 -0.149 0.000 2.083 250 L HA -0.022 4.323 4.340 0.009 0.000 0.209 250 L C 0.431 177.169 176.870 -0.219 0.000 1.083 250 L CA 0.928 55.676 54.840 -0.153 0.000 0.752 250 L CB 0.070 42.028 42.059 -0.169 0.000 0.899 250 L HN 0.279 nan 8.230 nan 0.000 0.433 251 V N 1.284 120.998 119.914 -0.334 0.000 2.350 251 V HA 0.421 4.546 4.120 0.009 0.000 0.285 251 V C -0.261 175.371 176.094 -0.770 0.000 1.014 251 V CA -0.601 61.321 62.300 -0.630 0.000 0.831 251 V CB 1.396 32.637 31.823 -0.971 0.000 1.000 251 V HN 0.198 nan 8.190 nan 0.000 0.433 252 R N 3.133 123.298 120.500 -0.558 0.000 2.651 252 R HA 0.486 4.831 4.340 0.009 0.000 0.278 252 R C -1.625 174.465 176.300 -0.350 0.000 1.010 252 R CA -0.846 55.034 56.100 -0.367 0.000 0.896 252 R CB 2.371 32.597 30.300 -0.122 0.000 1.211 252 R HN 0.531 nan 8.270 nan 0.000 0.456 253 Y N 0.761 121.057 120.300 -0.007 0.000 2.346 253 Y HA 0.278 4.833 4.550 0.009 0.000 0.330 253 Y C 1.206 177.088 175.900 -0.029 0.000 1.178 253 Y CA -0.243 57.873 58.100 0.027 0.000 1.331 253 Y CB 0.516 39.062 38.460 0.144 0.000 1.253 253 Y HN 0.666 nan 8.280 nan 0.000 0.529 254 A N 1.742 124.612 122.820 0.083 0.000 2.429 254 A HA 0.550 4.875 4.320 0.009 0.000 0.242 254 A C 0.646 178.034 177.584 -0.327 0.000 1.088 254 A CA 0.270 52.191 52.037 -0.194 0.000 0.784 254 A CB -0.263 18.535 19.000 -0.336 0.000 1.038 254 A HN 0.976 nan 8.150 nan 0.000 0.501 255 G N 0.213 108.762 108.800 -0.418 0.000 2.883 255 G HA2 0.536 4.501 3.960 0.009 0.000 0.285 255 G HA3 0.536 4.501 3.960 0.009 0.000 0.285 255 G C -1.250 173.481 174.900 -0.281 0.000 1.526 255 G CA -0.246 44.676 45.100 -0.297 0.000 1.062 255 G HN 0.481 nan 8.290 nan 0.000 0.550 256 Y N 1.072 121.386 120.300 0.023 0.000 2.335 256 Y HA 0.473 5.028 4.550 0.009 0.000 0.339 256 Y C 0.868 176.767 175.900 -0.002 0.000 0.987 256 Y CA -1.163 56.949 58.100 0.020 0.000 1.140 256 Y CB 1.478 39.945 38.460 0.012 0.000 1.173 256 Y HN 0.545 nan 8.280 nan 0.000 0.486 257 R N 3.454 124.041 120.500 0.145 0.000 2.296 257 R HA 0.126 4.472 4.340 0.009 0.000 0.323 257 R C -0.359 175.983 176.300 0.071 0.000 1.067 257 R CA -0.335 55.813 56.100 0.079 0.000 0.946 257 R CB 0.324 30.659 30.300 0.058 0.000 0.991 257 R HN 0.581 nan 8.270 nan 0.000 0.448 258 Q N 2.851 122.680 119.800 0.048 0.000 2.382 258 Q HA 0.009 4.354 4.340 0.009 0.000 0.229 258 Q C 0.272 176.282 176.000 0.017 0.000 1.006 258 Q CA -0.175 55.645 55.803 0.027 0.000 0.916 258 Q CB 0.986 29.735 28.738 0.018 0.000 1.235 258 Q HN 0.616 nan 8.270 nan 0.000 0.512 259 Q N 0.613 120.416 119.800 0.006 0.000 2.482 259 Q HA -0.040 4.306 4.340 0.009 0.000 0.209 259 Q C -0.348 175.653 176.000 0.002 0.000 0.961 259 Q CA 0.619 56.423 55.803 0.002 0.000 0.945 259 Q CB 0.397 29.132 28.738 -0.005 0.000 1.012 259 Q HN 0.508 nan 8.270 nan 0.000 0.515 260 D N -2.123 118.279 120.400 0.003 0.000 3.068 260 D HA 0.244 4.889 4.640 0.009 0.000 0.327 260 D C 0.739 177.043 176.300 0.007 0.000 1.361 260 D CA 0.206 54.208 54.000 0.003 0.000 0.877 260 D CB 0.328 41.128 40.800 0.000 0.000 1.088 260 D HN 0.161 nan 8.370 nan 0.000 0.489 261 G N 1.845 110.650 108.800 0.009 0.000 3.163 261 G HA2 -0.423 3.542 3.960 0.009 0.000 0.227 261 G HA3 -0.423 3.542 3.960 0.009 0.000 0.227 261 G C 0.751 175.659 174.900 0.013 0.000 1.300 261 G CA 0.782 45.889 45.100 0.012 0.000 0.867 261 G HN 0.831 nan 8.290 nan 0.000 0.533 262 S N -0.123 115.583 115.700 0.011 0.000 2.598 262 S HA 0.527 5.002 4.470 0.009 0.000 0.256 262 S C 0.159 174.765 174.600 0.011 0.000 1.350 262 S CA 0.288 58.493 58.200 0.009 0.000 0.984 262 S CB 1.724 64.928 63.200 0.006 0.000 0.930 262 S HN 1.366 nan 8.310 nan 0.000 0.577 263 V N 0.819 120.733 119.914 -0.000 0.000 2.735 263 V HA 0.557 4.682 4.120 0.009 0.000 0.310 263 V C 0.007 176.090 176.094 -0.018 0.000 1.061 263 V CA -0.889 61.409 62.300 -0.003 0.000 0.913 263 V CB 1.672 33.476 31.823 -0.031 0.000 1.005 263 V HN 0.927 nan 8.190 nan 0.000 0.428 264 R N 2.190 122.706 120.500 0.027 0.000 2.246 264 R HA 0.651 4.996 4.340 0.009 0.000 0.332 264 R C 0.412 176.711 176.300 -0.002 0.000 0.974 264 R CA 0.877 56.998 56.100 0.035 0.000 0.837 264 R CB 0.875 31.247 30.300 0.120 0.000 1.145 264 R HN 1.237 nan 8.270 nan 0.000 0.467 265 G N 2.753 111.456 108.800 -0.163 0.000 2.416 265 G HA2 -0.229 3.736 3.960 0.009 0.000 0.203 265 G HA3 -0.229 3.736 3.960 0.009 0.000 0.203 265 G C -1.408 173.155 174.900 -0.563 0.000 1.227 265 G CA -0.404 44.531 45.100 -0.275 0.000 1.041 265 G HN 0.589 nan 8.290 nan 0.000 0.546 266 D N 1.485 121.657 120.400 -0.380 0.000 2.336 266 D HA 0.497 5.142 4.640 0.009 0.000 0.249 266 D C -0.977 175.223 176.300 -0.167 0.000 1.213 266 D CA -1.809 51.984 54.000 -0.346 0.000 0.870 266 D CB 1.432 42.315 40.800 0.138 0.000 1.076 266 D HN -0.003 nan 8.370 nan 0.000 0.483 267 P HA -0.069 nan 4.420 nan 0.000 0.225 267 P C 0.907 178.218 177.300 0.017 0.000 1.148 267 P CA 0.714 63.779 63.100 -0.058 0.000 0.779 267 P CB 0.209 31.888 31.700 -0.035 0.000 0.780 268 A N -0.236 122.618 122.820 0.056 0.000 2.076 268 A HA -0.155 4.170 4.320 0.009 0.000 0.220 268 A C 1.673 179.308 177.584 0.084 0.000 1.160 268 A CA 1.498 53.599 52.037 0.107 0.000 0.653 268 A CB -0.787 18.309 19.000 0.161 0.000 0.801 268 A HN 0.189 nan 8.150 nan 0.000 0.455 269 N N -0.988 117.739 118.700 0.046 0.000 2.197 269 N HA 0.123 4.868 4.740 0.009 0.000 0.228 269 N C 1.051 176.554 175.510 -0.011 0.000 1.212 269 N CA 0.301 53.367 53.050 0.026 0.000 0.883 269 N CB 0.759 39.256 38.487 0.018 0.000 1.107 269 N HN 0.177 nan 8.380 nan 0.000 0.519 270 V N 1.377 121.287 119.914 -0.006 0.000 2.324 270 V HA -0.276 3.849 4.120 0.009 0.000 0.250 270 V C 2.526 178.618 176.094 -0.004 0.000 1.060 270 V CA 2.100 64.395 62.300 -0.009 0.000 1.042 270 V CB -0.295 31.533 31.823 0.008 0.000 0.650 270 V HN 0.336 nan 8.190 nan 0.000 0.450 271 E N 0.180 120.385 120.200 0.008 0.000 2.028 271 E HA -0.233 4.122 4.350 0.009 0.000 0.191 271 E C 1.980 178.512 176.600 -0.114 0.000 0.988 271 E CA 1.716 58.105 56.400 -0.018 0.000 0.799 271 E CB -0.354 29.388 29.700 0.070 0.000 0.755 271 E HN 0.462 nan 8.360 nan 0.000 0.447 272 I N 0.470 120.989 120.570 -0.085 0.000 2.493 272 I HA -0.181 3.994 4.170 0.009 0.000 0.254 272 I C 1.883 177.948 176.117 -0.087 0.000 1.160 272 I CA 1.350 62.576 61.300 -0.123 0.000 1.445 272 I CB -0.299 37.678 38.000 -0.037 0.000 1.086 272 I HN 0.167 nan 8.210 nan 0.000 0.433 273 T N -0.054 114.471 114.554 -0.048 0.000 2.701 273 T HA -0.175 4.181 4.350 0.009 0.000 0.263 273 T C 1.751 176.504 174.700 0.088 0.000 1.040 273 T CA 1.665 63.771 62.100 0.010 0.000 1.147 273 T CB -0.270 68.584 68.868 -0.024 0.000 0.865 273 T HN 0.382 nan 8.240 nan 0.000 0.426 274 E N 0.741 120.970 120.200 0.048 0.000 2.086 274 E HA -0.147 4.208 4.350 0.009 0.000 0.200 274 E C 2.148 178.773 176.600 0.042 0.000 1.012 274 E CA 1.098 57.529 56.400 0.051 0.000 0.812 274 E CB -0.389 29.317 29.700 0.009 0.000 0.743 274 E HN 0.387 nan 8.360 nan 0.000 0.453 275 L N 0.006 121.216 121.223 -0.021 0.000 2.083 275 L HA -0.237 4.108 4.340 0.009 0.000 0.209 275 L C 2.539 179.487 176.870 0.131 0.000 1.083 275 L CA 0.752 55.609 54.840 0.028 0.000 0.752 275 L CB -0.303 41.674 42.059 -0.137 0.000 0.899 275 L HN 0.346 nan 8.230 nan 0.000 0.433 276 C N -0.136 119.205 119.300 0.067 0.000 2.429 276 C HA -0.149 4.316 4.460 0.009 0.000 0.277 276 C C 2.684 177.836 174.990 0.269 0.000 1.262 276 C CA 0.554 59.626 59.018 0.090 0.000 1.733 276 C CB -0.658 27.031 27.740 -0.084 0.000 2.010 276 C HN 0.431 nan 8.230 nan 0.000 0.483 277 I N 0.259 121.009 120.570 0.300 0.000 2.163 277 I HA -0.239 3.936 4.170 0.009 0.000 0.240 277 I C 2.656 178.840 176.117 0.111 0.000 1.081 277 I CA 1.459 62.900 61.300 0.235 0.000 1.353 277 I CB -0.804 37.304 38.000 0.181 0.000 1.054 277 I HN 0.361 nan 8.210 nan 0.000 0.407 278 Q N 0.106 119.947 119.800 0.068 0.000 2.173 278 Q HA -0.268 4.077 4.340 0.009 0.000 0.208 278 Q C 1.278 177.204 176.000 -0.123 0.000 0.989 278 Q CA 1.764 57.545 55.803 -0.037 0.000 0.872 278 Q CB -0.217 28.485 28.738 -0.060 0.000 0.909 278 Q HN 0.599 nan 8.270 nan 0.000 0.420 279 H N -2.080 116.983 119.070 -0.011 0.000 2.567 279 H HA 0.237 4.798 4.556 0.009 0.000 0.294 279 H C 0.819 176.126 175.328 -0.035 0.000 1.050 279 H CA 0.534 56.550 56.048 -0.052 0.000 1.168 279 H CB 0.552 30.242 29.762 -0.120 0.000 1.422 279 H HN 0.421 nan 8.280 nan 0.000 0.562 280 G N -0.310 108.530 108.800 0.066 0.000 2.284 280 G HA2 -0.267 3.698 3.960 0.009 0.000 0.216 280 G HA3 -0.267 3.698 3.960 0.009 0.000 0.216 280 G C 0.112 175.080 174.900 0.113 0.000 1.009 280 G CA -0.243 44.888 45.100 0.051 0.000 0.625 280 G HN 0.366 nan 8.290 nan 0.000 0.501 281 W N 3.814 125.093 121.300 -0.035 0.000 2.347 281 W HA 0.553 5.218 4.660 0.009 0.000 0.333 281 W C 0.377 176.891 176.519 -0.009 0.000 1.383 281 W CA 0.883 58.212 57.345 -0.027 0.000 1.283 281 W CB 0.362 29.814 29.460 -0.013 0.000 1.253 281 W HN 0.082 nan 8.180 nan 0.000 0.563 282 T N 9.924 124.219 114.554 -0.432 0.000 2.761 282 T HA 0.218 4.574 4.350 0.009 0.000 0.296 282 T C -2.051 171.878 174.700 -1.286 0.000 0.934 282 T CA -0.801 60.938 62.100 -0.603 0.000 1.091 282 T CB 0.616 69.280 68.868 -0.339 0.000 0.896 282 T HN 0.244 nan 8.240 nan 0.000 0.515 283 P HA 0.443 nan 4.420 nan 0.000 0.282 283 P C 0.329 177.248 177.300 -0.635 0.000 1.259 283 P CA -0.459 61.872 63.100 -1.281 0.000 0.826 283 P CB 1.125 32.471 31.700 -0.590 0.000 1.064 284 G N 0.733 109.330 108.800 -0.338 0.000 2.531 284 G HA2 0.173 4.138 3.960 0.009 0.000 0.253 284 G HA3 0.173 4.138 3.960 0.009 0.000 0.253 284 G C 0.107 174.705 174.900 -0.504 0.000 1.439 284 G CA -0.226 44.757 45.100 -0.195 0.000 1.056 284 G HN 0.577 nan 8.290 nan 0.000 0.555 285 N N -1.048 117.474 118.700 -0.297 0.000 2.381 285 N HA 0.223 4.968 4.740 0.009 0.000 0.257 285 N C 0.143 175.597 175.510 -0.094 0.000 1.409 285 N CA 0.096 52.925 53.050 -0.367 0.000 0.836 285 N CB 0.744 39.085 38.487 -0.243 0.000 1.384 285 N HN 0.657 nan 8.380 nan 0.000 0.490 286 G N -0.542 108.327 108.800 0.115 0.000 2.537 286 G HA2 0.370 4.335 3.960 0.009 0.000 0.323 286 G HA3 0.370 4.335 3.960 0.009 0.000 0.323 286 G C 0.625 175.611 174.900 0.144 0.000 1.207 286 G CA -0.432 44.754 45.100 0.143 0.000 0.976 286 G HN 0.132 nan 8.290 nan 0.000 0.487 287 R N -0.927 119.539 120.500 -0.056 0.000 2.193 287 R HA 0.062 4.407 4.340 0.009 0.000 0.213 287 R C 0.022 175.886 176.300 -0.727 0.000 1.055 287 R CA 0.983 56.842 56.100 -0.401 0.000 0.995 287 R CB -0.013 29.870 30.300 -0.694 0.000 0.893 287 R HN 0.410 nan 8.270 nan 0.000 0.459 288 F N 0.537 120.460 119.950 -0.046 0.000 2.749 288 F HA 0.242 4.774 4.527 0.009 0.000 0.380 288 F C -0.786 174.996 175.800 -0.031 0.000 1.365 288 F CA -1.250 56.483 58.000 -0.444 0.000 1.186 288 F CB 0.467 39.091 39.000 -0.627 0.000 1.080 288 F HN -0.292 nan 8.300 nan 0.000 0.513 289 D N 1.399 121.989 120.400 0.317 0.000 2.317 289 D HA 0.203 4.848 4.640 0.009 0.000 0.252 289 D C 0.264 176.824 176.300 0.433 0.000 1.174 289 D CA 0.122 54.362 54.000 0.401 0.000 0.866 289 D CB 1.901 42.983 40.800 0.470 0.000 1.127 289 D HN -0.098 nan 8.370 nan 0.000 0.467 290 V N 3.434 123.551 119.914 0.337 0.000 2.585 290 V HA 0.021 4.146 4.120 0.009 0.000 0.296 290 V C 0.938 177.029 176.094 -0.005 0.000 1.035 290 V CA -0.384 61.985 62.300 0.114 0.000 1.084 290 V CB 0.349 32.193 31.823 0.036 0.000 0.953 290 V HN 0.359 nan 8.190 nan 0.000 0.483 291 L N 8.029 129.145 121.223 -0.177 0.000 2.417 291 L HA 0.327 4.672 4.340 0.009 0.000 0.268 291 L C -1.553 175.063 176.870 -0.423 0.000 1.158 291 L CA -1.366 53.226 54.840 -0.413 0.000 0.819 291 L CB 0.844 42.697 42.059 -0.343 0.000 1.112 291 L HN 0.499 nan 8.230 nan 0.000 0.458 292 P HA 0.108 nan 4.420 nan 0.000 0.282 292 P C -1.123 175.989 177.300 -0.313 0.000 1.286 292 P CA -0.416 62.395 63.100 -0.481 0.000 0.777 292 P CB 0.718 31.987 31.700 -0.718 0.000 1.184 293 L N 0.019 121.127 121.223 -0.193 0.000 2.385 293 L HA 0.388 4.733 4.340 0.009 0.000 0.273 293 L C -0.701 176.113 176.870 -0.094 0.000 0.990 293 L CA -0.759 54.027 54.840 -0.090 0.000 0.821 293 L CB 1.120 43.191 42.059 0.020 0.000 1.279 293 L HN 0.167 nan 8.230 nan 0.000 0.412 294 L N 5.260 126.414 121.223 -0.114 0.000 2.295 294 L HA 0.548 4.893 4.340 0.009 0.000 0.281 294 L C -0.784 175.938 176.870 -0.247 0.000 1.018 294 L CA -0.085 54.601 54.840 -0.255 0.000 0.841 294 L CB 0.951 42.805 42.059 -0.341 0.000 1.218 294 L HN 0.402 nan 8.230 nan 0.000 0.424 295 L N 3.821 124.933 121.223 -0.185 0.000 2.329 295 L HA 0.590 4.935 4.340 0.009 0.000 0.279 295 L C -0.238 176.514 176.870 -0.196 0.000 1.014 295 L CA -0.555 54.216 54.840 -0.114 0.000 0.814 295 L CB 2.024 44.066 42.059 -0.027 0.000 1.257 295 L HN 0.548 nan 8.230 nan 0.000 0.424 296 Q N 1.988 121.714 119.800 -0.124 0.000 2.353 296 Q HA 0.803 5.148 4.340 0.009 0.000 0.268 296 Q C -1.541 174.375 176.000 -0.139 0.000 1.045 296 Q CA -0.582 55.160 55.803 -0.101 0.000 0.811 296 Q CB 2.591 31.410 28.738 0.136 0.000 1.305 296 Q HN 0.783 nan 8.270 nan 0.000 0.447 297 A N 4.107 126.794 122.820 -0.221 0.000 2.454 297 A HA 0.718 5.043 4.320 0.009 0.000 0.302 297 A C -2.663 174.694 177.584 -0.379 0.000 1.079 297 A CA -1.881 49.862 52.037 -0.490 0.000 0.731 297 A CB 1.288 20.031 19.000 -0.428 0.000 1.299 297 A HN 0.618 nan 8.150 nan 0.000 0.413 298 P HA 0.037 nan 4.420 nan 0.000 0.255 298 P C -0.519 176.706 177.300 -0.124 0.000 1.161 298 P CA 1.304 64.259 63.100 -0.242 0.000 0.768 298 P CB 0.085 31.663 31.700 -0.204 0.000 0.746 299 D N -0.228 120.138 120.400 -0.056 0.000 2.837 299 D HA -0.163 4.482 4.640 0.009 0.000 0.195 299 D C 0.186 176.475 176.300 -0.018 0.000 1.033 299 D CA 1.179 55.168 54.000 -0.018 0.000 1.021 299 D CB -0.707 40.085 40.800 -0.014 0.000 1.101 299 D HN 0.428 nan 8.370 nan 0.000 0.431 300 E N 0.503 120.675 120.200 -0.048 0.000 2.277 300 E HA 0.591 4.946 4.350 0.009 0.000 0.274 300 E C 0.330 176.910 176.600 -0.033 0.000 1.022 300 E CA -0.248 56.127 56.400 -0.042 0.000 0.853 300 E CB 1.393 31.055 29.700 -0.064 0.000 1.086 300 E HN 0.265 nan 8.360 nan 0.000 0.397 301 A N 4.192 126.995 122.820 -0.029 0.000 2.466 301 A HA 0.247 4.572 4.320 0.009 0.000 0.238 301 A C -1.994 175.492 177.584 -0.162 0.000 1.074 301 A CA -0.889 51.123 52.037 -0.041 0.000 0.774 301 A CB -0.516 18.478 19.000 -0.009 0.000 1.015 301 A HN 0.324 nan 8.150 nan 0.000 0.498 302 P HA 0.164 nan 4.420 nan 0.000 0.269 302 P C -0.631 176.407 177.300 -0.437 0.000 1.209 302 P CA 0.293 63.012 63.100 -0.635 0.000 0.776 302 P CB 0.603 31.387 31.700 -1.527 0.000 0.876 303 E N 0.865 120.871 120.200 -0.323 0.000 2.256 303 E HA 0.471 4.826 4.350 0.009 0.000 0.267 303 E C -0.888 175.511 176.600 -0.334 0.000 0.892 303 E CA -1.090 55.140 56.400 -0.285 0.000 0.775 303 E CB 1.941 31.519 29.700 -0.204 0.000 1.207 303 E HN 0.290 nan 8.360 nan 0.000 0.420 304 L N 2.844 123.781 121.223 -0.477 0.000 2.289 304 L HA 0.485 4.830 4.340 0.009 0.000 0.285 304 L C -1.640 174.803 176.870 -0.712 0.000 1.049 304 L CA -0.075 54.512 54.840 -0.422 0.000 0.804 304 L CB 0.287 42.185 42.059 -0.269 0.000 1.195 304 L HN 0.417 nan 8.230 nan 0.000 0.428 305 F N 4.329 124.055 119.950 -0.374 0.000 2.536 305 F HA 0.471 5.004 4.527 0.010 0.000 0.322 305 F C -0.333 175.175 175.800 -0.487 0.000 1.144 305 F CA -0.855 56.781 58.000 -0.607 0.000 0.924 305 F CB 1.892 40.269 39.000 -1.039 0.000 1.181 305 F HN 0.053 nan 8.300 nan 0.000 0.438 306 V N 4.641 124.423 119.914 -0.219 0.000 2.498 306 V HA 0.241 4.366 4.120 0.009 0.000 0.279 306 V C 0.285 176.427 176.094 0.080 0.000 1.048 306 V CA -0.791 61.472 62.300 -0.061 0.000 0.967 306 V CB 1.155 32.995 31.823 0.028 0.000 0.988 306 V HN 0.528 nan 8.190 nan 0.000 0.473 307 L N 6.630 127.940 121.223 0.146 0.000 2.410 307 L HA 0.270 4.615 4.340 0.009 0.000 0.273 307 L C -2.123 174.852 176.870 0.175 0.000 1.152 307 L CA -1.408 53.575 54.840 0.238 0.000 0.855 307 L CB 0.365 42.504 42.059 0.134 0.000 1.129 307 L HN 0.440 nan 8.230 nan 0.000 0.463 308 P HA 0.091 nan 4.420 nan 0.000 0.265 308 P C -1.997 175.358 177.300 0.090 0.000 1.222 308 P CA -1.003 62.174 63.100 0.128 0.000 0.767 308 P CB 0.490 32.260 31.700 0.117 0.000 0.801 309 P HA -0.242 nan 4.420 nan 0.000 0.217 309 P C 1.290 178.624 177.300 0.057 0.000 1.148 309 P CA 1.459 64.603 63.100 0.073 0.000 0.834 309 P CB -0.094 31.651 31.700 0.076 0.000 0.783 310 E N -0.704 119.526 120.200 0.050 0.000 2.268 310 E HA -0.143 4.213 4.350 0.009 0.000 0.195 310 E C 1.907 178.526 176.600 0.031 0.000 0.995 310 E CA 0.845 57.267 56.400 0.037 0.000 0.836 310 E CB -1.201 28.518 29.700 0.032 0.000 0.763 310 E HN 0.272 nan 8.360 nan 0.000 0.491 311 L N 1.066 122.310 121.223 0.034 0.000 2.179 311 L HA -0.018 4.328 4.340 0.009 0.000 0.208 311 L C 0.819 177.706 176.870 0.028 0.000 1.096 311 L CA 0.683 55.538 54.840 0.025 0.000 0.779 311 L CB 0.299 42.370 42.059 0.018 0.000 0.922 311 L HN -0.156 nan 8.230 nan 0.000 0.443 312 V N 1.950 121.883 119.914 0.032 0.000 2.338 312 V HA 0.113 4.238 4.120 0.009 0.000 0.255 312 V C 0.014 176.136 176.094 0.047 0.000 1.082 312 V CA -0.648 61.669 62.300 0.028 0.000 0.951 312 V CB 0.420 32.248 31.823 0.009 0.000 1.102 312 V HN 0.070 nan 8.190 nan 0.000 0.489 313 L N 6.022 127.279 121.223 0.057 0.000 2.361 313 L HA 0.394 4.739 4.340 0.009 0.000 0.278 313 L C 0.250 177.162 176.870 0.071 0.000 1.113 313 L CA 0.706 55.575 54.840 0.048 0.000 0.849 313 L CB 0.228 42.306 42.059 0.032 0.000 1.155 313 L HN 0.652 nan 8.230 nan 0.000 0.452 314 E N 3.314 123.539 120.200 0.041 0.000 2.264 314 E HA 0.647 5.003 4.350 0.009 0.000 0.260 314 E C -1.348 175.207 176.600 -0.075 0.000 0.961 314 E CA -1.095 55.330 56.400 0.040 0.000 0.834 314 E CB 2.269 32.021 29.700 0.087 0.000 1.230 314 E HN 0.381 nan 8.360 nan 0.000 0.412 315 V N 2.332 122.174 119.914 -0.121 0.000 2.443 315 V HA 0.287 4.412 4.120 0.009 0.000 0.293 315 V C -2.466 173.561 176.094 -0.112 0.000 1.021 315 V CA -2.074 60.094 62.300 -0.221 0.000 0.848 315 V CB 1.331 32.816 31.823 -0.563 0.000 0.998 315 V HN 0.525 nan 8.190 nan 0.000 0.424 316 P HA 0.219 nan 4.420 nan 0.000 0.271 316 P C -0.415 176.876 177.300 -0.015 0.000 1.226 316 P CA -0.003 63.063 63.100 -0.057 0.000 0.765 316 P CB 0.467 32.145 31.700 -0.037 0.000 0.835 317 L N 4.062 125.307 121.223 0.037 0.000 2.313 317 L HA 0.297 4.642 4.340 0.009 0.000 0.282 317 L C 1.110 178.079 176.870 0.166 0.000 1.092 317 L CA 0.124 55.033 54.840 0.115 0.000 0.831 317 L CB 0.106 42.290 42.059 0.208 0.000 1.159 317 L HN 0.482 nan 8.230 nan 0.000 0.442 318 E N 2.704 122.954 120.200 0.083 0.000 2.369 318 E HA 0.384 4.739 4.350 0.009 0.000 0.270 318 E C -1.216 175.333 176.600 -0.085 0.000 0.909 318 E CA -0.898 55.550 56.400 0.081 0.000 0.775 318 E CB 1.960 31.730 29.700 0.116 0.000 1.270 318 E HN 0.462 nan 8.360 nan 0.000 0.445 319 H N 1.903 120.766 119.070 -0.345 0.000 2.463 319 H HA 0.248 4.809 4.556 0.009 0.000 0.332 319 H C -1.895 173.109 175.328 -0.540 0.000 1.127 319 H CA -2.327 53.396 56.048 -0.542 0.000 1.238 319 H CB 2.033 31.399 29.762 -0.660 0.000 1.478 319 H HN 0.442 nan 8.280 nan 0.000 0.499 320 P HA -0.063 nan 4.420 nan 0.000 0.223 320 P C 0.913 178.034 177.300 -0.299 0.000 1.151 320 P CA 1.305 63.925 63.100 -0.800 0.000 0.787 320 P CB 0.394 31.617 31.700 -0.795 0.000 0.788 321 T N -5.308 109.203 114.554 -0.072 0.000 2.966 321 T HA 0.232 4.588 4.350 0.009 0.000 0.254 321 T C 0.558 175.239 174.700 -0.032 0.000 0.961 321 T CA -0.177 61.920 62.100 -0.004 0.000 0.915 321 T CB -0.451 68.427 68.868 0.015 0.000 1.186 321 T HN -0.074 nan 8.240 nan 0.000 0.505 322 L N 2.840 124.004 121.223 -0.098 0.000 2.282 322 L HA 0.401 4.746 4.340 0.009 0.000 0.287 322 L C 1.203 177.748 176.870 -0.542 0.000 1.075 322 L CA -0.426 54.083 54.840 -0.551 0.000 0.839 322 L CB 0.865 42.191 42.059 -1.221 0.000 1.219 322 L HN 0.215 nan 8.230 nan 0.000 0.434 323 E N 3.611 123.642 120.200 -0.281 0.000 2.268 323 E HA -0.169 4.186 4.350 0.009 0.000 0.195 323 E C 1.479 178.063 176.600 -0.027 0.000 0.995 323 E CA 1.126 57.469 56.400 -0.094 0.000 0.836 323 E CB 0.086 29.796 29.700 0.017 0.000 0.763 323 E HN 0.819 nan 8.360 nan 0.000 0.491 324 W N -0.144 121.208 121.300 0.085 0.000 2.678 324 W HA 0.020 4.686 4.660 0.009 0.000 0.256 324 W C 1.496 178.073 176.519 0.098 0.000 1.280 324 W CA -0.302 57.082 57.345 0.065 0.000 1.345 324 W CB -0.789 28.684 29.460 0.023 0.000 1.118 324 W HN -0.097 nan 8.180 nan 0.000 0.629 325 F N 3.157 122.885 119.950 -0.370 0.000 2.102 325 F HA -0.062 4.471 4.527 0.009 0.000 0.298 325 F C 2.702 178.518 175.800 0.028 0.000 1.105 325 F CA 2.560 60.423 58.000 -0.229 0.000 1.239 325 F CB -0.842 37.840 39.000 -0.530 0.000 0.991 325 F HN -0.083 nan 8.300 nan 0.000 0.474 326 A N 0.310 123.327 122.820 0.328 0.000 2.009 326 A HA -0.242 4.083 4.320 0.009 0.000 0.222 326 A C 2.312 179.990 177.584 0.158 0.000 1.175 326 A CA 2.054 54.230 52.037 0.232 0.000 0.651 326 A CB -1.594 17.492 19.000 0.144 0.000 0.815 326 A HN 0.503 nan 8.150 nan 0.000 0.459 327 A N -1.528 121.383 122.820 0.151 0.000 2.167 327 A HA 0.244 4.569 4.320 0.009 0.000 0.214 327 A C 1.687 179.325 177.584 0.088 0.000 1.151 327 A CA 0.972 53.080 52.037 0.118 0.000 0.735 327 A CB -0.303 18.779 19.000 0.136 0.000 0.802 327 A HN 0.367 nan 8.150 nan 0.000 0.467 328 L N -0.996 120.261 121.223 0.056 0.000 2.376 328 L HA 0.101 4.447 4.340 0.009 0.000 0.219 328 L C 1.860 178.771 176.870 0.067 0.000 1.133 328 L CA 1.312 56.157 54.840 0.009 0.000 0.816 328 L CB -1.159 40.801 42.059 -0.165 0.000 0.933 328 L HN 0.673 nan 8.230 nan 0.000 0.449 329 G N -0.782 108.065 108.800 0.078 0.000 2.147 329 G HA2 -0.263 3.702 3.960 0.009 0.000 0.244 329 G HA3 -0.263 3.702 3.960 0.009 0.000 0.244 329 G C 0.356 175.284 174.900 0.047 0.000 1.005 329 G CA 0.160 45.314 45.100 0.090 0.000 0.713 329 G HN 0.283 nan 8.290 nan 0.000 0.515 330 L N 0.500 121.733 121.223 0.016 0.000 2.397 330 L HA 0.667 5.012 4.340 0.009 0.000 0.271 330 L C 1.110 177.811 176.870 -0.282 0.000 1.148 330 L CA -0.380 54.395 54.840 -0.109 0.000 0.825 330 L CB 0.746 42.861 42.059 0.093 0.000 1.117 330 L HN 0.519 nan 8.230 nan 0.000 0.456 331 R N 2.684 122.785 120.500 -0.664 0.000 2.663 331 R HA 0.461 4.806 4.340 0.009 0.000 0.267 331 R C -1.981 174.211 176.300 -0.180 0.000 1.038 331 R CA -0.946 54.899 56.100 -0.425 0.000 0.886 331 R CB 1.900 31.894 30.300 -0.510 0.000 1.249 331 R HN 0.599 nan 8.270 nan 0.000 0.463 332 W N 2.346 123.563 121.300 -0.138 0.000 2.992 332 W HA 0.433 5.098 4.660 0.008 0.000 0.342 332 W C -1.044 175.534 176.519 0.098 0.000 1.176 332 W CA -1.024 56.326 57.345 0.009 0.000 1.118 332 W CB 2.203 31.598 29.460 -0.108 0.000 1.457 332 W HN 0.679 nan 8.180 nan 0.000 0.573 333 Y N 0.193 120.466 120.300 -0.045 0.000 2.403 333 Y HA 0.633 5.187 4.550 0.008 0.000 0.323 333 Y C 0.654 176.774 175.900 0.365 0.000 1.226 333 Y CA -0.441 57.693 58.100 0.057 0.000 1.235 333 Y CB 0.454 38.825 38.460 -0.150 0.000 1.248 333 Y HN 0.347 nan 8.280 nan 0.000 0.489 334 A N 1.578 124.670 122.820 0.454 0.000 2.072 334 A HA 0.130 4.455 4.320 0.009 0.000 0.216 334 A C 0.264 178.203 177.584 0.592 0.000 1.156 334 A CA 0.385 52.715 52.037 0.487 0.000 0.701 334 A CB -0.258 18.879 19.000 0.227 0.000 0.816 334 A HN 0.647 nan 8.150 nan 0.000 0.458 335 L N 1.642 123.203 121.223 0.563 0.000 2.294 335 L HA 0.449 4.795 4.340 0.009 0.000 0.283 335 L C -2.680 174.349 176.870 0.265 0.000 1.015 335 L CA -2.261 52.782 54.840 0.339 0.000 0.831 335 L CB 1.785 43.964 42.059 0.200 0.000 1.217 335 L HN -0.079 nan 8.230 nan 0.000 0.420 336 P HA 0.365 nan 4.420 nan 0.000 0.287 336 P C -1.399 175.797 177.300 -0.173 0.000 1.307 336 P CA -0.286 62.668 63.100 -0.243 0.000 0.777 336 P CB 1.332 32.519 31.700 -0.855 0.000 0.883 337 A N 4.180 126.909 122.820 -0.151 0.000 2.522 337 A HA 0.431 4.756 4.320 0.009 0.000 0.285 337 A C -0.370 176.997 177.584 -0.361 0.000 1.198 337 A CA -0.629 51.248 52.037 -0.267 0.000 0.742 337 A CB 0.704 19.569 19.000 -0.226 0.000 1.176 337 A HN 0.280 nan 8.150 nan 0.000 0.444 338 V N 2.588 122.116 119.914 -0.642 0.000 2.572 338 V HA 0.290 4.416 4.120 0.009 0.000 0.291 338 V C 1.205 176.953 176.094 -0.577 0.000 1.039 338 V CA 1.116 63.015 62.300 -0.668 0.000 1.055 338 V CB 1.102 32.276 31.823 -1.083 0.000 0.969 338 V HN 1.096 nan 8.190 nan 0.000 0.482 339 S N 1.444 116.993 115.700 -0.251 0.000 2.728 339 S HA 0.035 4.510 4.470 0.009 0.000 0.257 339 S C 0.845 175.459 174.600 0.023 0.000 1.060 339 S CA 0.107 58.248 58.200 -0.098 0.000 1.126 339 S CB -0.319 62.844 63.200 -0.061 0.000 1.099 339 S HN 0.909 nan 8.310 nan 0.000 0.617 340 N N 0.197 118.915 118.700 0.030 0.000 2.203 340 N HA 0.327 5.072 4.740 0.009 0.000 0.207 340 N C 0.154 175.744 175.510 0.133 0.000 1.130 340 N CA -0.440 52.662 53.050 0.087 0.000 0.861 340 N CB 0.062 38.593 38.487 0.074 0.000 1.005 340 N HN 0.226 nan 8.380 nan 0.000 0.507 341 M N 1.496 121.202 119.600 0.177 0.000 2.250 341 M HA 0.248 4.733 4.480 0.009 0.000 0.344 341 M C -0.420 176.041 176.300 0.268 0.000 1.150 341 M CA -0.731 54.729 55.300 0.267 0.000 1.147 341 M CB 1.907 34.734 32.600 0.378 0.000 1.498 341 M HN 0.185 nan 8.290 nan 0.000 0.461 342 L N 3.674 125.025 121.223 0.213 0.000 2.305 342 L HA 0.391 4.736 4.340 0.009 0.000 0.281 342 L C -1.173 175.780 176.870 0.139 0.000 1.085 342 L CA -0.594 54.343 54.840 0.162 0.000 0.813 342 L CB 0.776 42.887 42.059 0.088 0.000 1.157 342 L HN 0.573 nan 8.230 nan 0.000 0.436 343 L N 5.560 126.849 121.223 0.111 0.000 2.280 343 L HA 0.452 4.797 4.340 0.009 0.000 0.287 343 L C -0.590 176.283 176.870 0.006 0.000 1.023 343 L CA 0.145 54.927 54.840 -0.095 0.000 0.819 343 L CB 1.174 43.134 42.059 -0.165 0.000 1.212 343 L HN 0.601 nan 8.230 nan 0.000 0.420 344 E N 6.757 126.881 120.200 -0.127 0.000 2.145 344 E HA 0.431 4.787 4.350 0.009 0.000 0.270 344 E C -1.627 174.876 176.600 -0.161 0.000 0.906 344 E CA -0.419 55.926 56.400 -0.092 0.000 0.761 344 E CB 1.114 30.757 29.700 -0.095 0.000 1.116 344 E HN 0.722 nan 8.360 nan 0.000 0.408 345 I N 2.473 122.956 120.570 -0.144 0.000 2.512 345 I HA 0.289 4.464 4.170 0.009 0.000 0.287 345 I C 0.804 176.744 176.117 -0.295 0.000 1.069 345 I CA -0.664 60.431 61.300 -0.340 0.000 1.056 345 I CB 2.071 39.778 38.000 -0.488 0.000 1.229 345 I HN 0.765 nan 8.210 nan 0.000 0.429 346 G N 3.988 112.653 108.800 -0.225 0.000 2.203 346 G HA2 -0.159 3.806 3.960 0.009 0.000 0.263 346 G HA3 -0.159 3.806 3.960 0.009 0.000 0.263 346 G C 1.053 176.041 174.900 0.147 0.000 1.012 346 G CA 0.658 45.815 45.100 0.094 0.000 0.749 346 G HN 1.659 nan 8.290 nan 0.000 0.512 347 G N -1.795 107.018 108.800 0.021 0.000 2.184 347 G HA2 -0.269 3.696 3.960 0.009 0.000 0.264 347 G HA3 -0.269 3.696 3.960 0.009 0.000 0.264 347 G C 0.539 175.385 174.900 -0.089 0.000 0.975 347 G CA 0.673 45.773 45.100 -0.000 0.000 0.642 347 G HN 1.374 nan 8.290 nan 0.000 0.536 348 L N 0.787 121.901 121.223 -0.181 0.000 2.397 348 L HA 0.497 4.842 4.340 0.009 0.000 0.271 348 L C 0.401 177.058 176.870 -0.354 0.000 1.148 348 L CA -0.183 54.429 54.840 -0.379 0.000 0.825 348 L CB 0.742 42.478 42.059 -0.539 0.000 1.117 348 L HN 0.262 nan 8.230 nan 0.000 0.456 349 E N 3.112 123.028 120.200 -0.474 0.000 2.199 349 E HA 0.412 4.767 4.350 0.009 0.000 0.265 349 E C -1.535 174.790 176.600 -0.458 0.000 0.882 349 E CA -0.523 55.700 56.400 -0.295 0.000 0.759 349 E CB 1.638 31.236 29.700 -0.171 0.000 1.148 349 E HN 0.234 nan 8.360 nan 0.000 0.412 350 F N 1.771 121.672 119.950 -0.081 0.000 2.361 350 F HA 0.121 4.654 4.527 0.010 0.000 0.364 350 F C 1.569 177.387 175.800 0.030 0.000 1.117 350 F CA -0.703 57.276 58.000 -0.036 0.000 1.071 350 F CB 1.457 40.423 39.000 -0.057 0.000 1.188 350 F HN 0.468 nan 8.300 nan 0.000 0.464 351 S N 1.602 117.402 115.700 0.167 0.000 2.461 351 S HA 0.305 4.780 4.470 0.009 0.000 0.228 351 S C 0.779 175.509 174.600 0.217 0.000 1.005 351 S CA 0.286 58.584 58.200 0.163 0.000 0.942 351 S CB 0.010 63.285 63.200 0.124 0.000 0.776 351 S HN 0.541 nan 8.310 nan 0.000 0.514 352 A N 0.437 123.422 122.820 0.275 0.000 2.318 352 A HA 0.868 5.194 4.320 0.009 0.000 0.317 352 A C -0.046 177.765 177.584 0.378 0.000 1.159 352 A CA -0.324 51.903 52.037 0.316 0.000 0.799 352 A CB 1.310 20.485 19.000 0.293 0.000 1.194 352 A HN 1.135 nan 8.150 nan 0.000 0.479 353 A N 3.705 126.720 122.820 0.325 0.000 3.426 353 A HA 0.537 4.862 4.320 0.009 0.000 0.222 353 A C -2.928 174.824 177.584 0.279 0.000 1.090 353 A CA -0.718 51.477 52.037 0.264 0.000 1.026 353 A CB 0.089 19.220 19.000 0.218 0.000 1.342 353 A HN 0.570 nan 8.150 nan 0.000 0.695 354 P HA 0.272 nan 4.420 nan 0.000 0.262 354 P C -0.607 176.766 177.300 0.121 0.000 1.182 354 P CA 0.755 63.874 63.100 0.032 0.000 0.761 354 P CB -0.018 31.651 31.700 -0.050 0.000 0.795 355 F N 0.534 120.474 119.950 -0.017 0.000 2.577 355 F HA 0.799 5.331 4.527 0.008 0.000 0.318 355 F C -0.493 175.235 175.800 -0.120 0.000 1.065 355 F CA -1.205 56.773 58.000 -0.037 0.000 0.929 355 F CB 1.713 40.620 39.000 -0.155 0.000 1.237 355 F HN 0.435 nan 8.300 nan 0.000 0.468 356 S N 0.343 116.120 115.700 0.129 0.000 2.596 356 S HA 0.955 5.430 4.470 0.009 0.000 0.270 356 S C -0.774 173.777 174.600 -0.082 0.000 1.155 356 S CA -0.182 58.012 58.200 -0.011 0.000 0.827 356 S CB 1.445 64.696 63.200 0.084 0.000 1.130 356 S HN 1.573 nan 8.310 nan 0.000 0.467 357 G N -0.329 108.381 108.800 -0.151 0.000 3.495 357 G HA2 0.669 4.634 3.960 0.009 0.000 0.178 357 G HA3 0.669 4.634 3.960 0.009 0.000 0.178 357 G C -1.744 173.136 174.900 -0.034 0.000 1.262 357 G CA -0.021 44.908 45.100 -0.284 0.000 1.096 357 G HN 1.342 nan 8.290 nan 0.000 0.727 358 W N -1.086 120.205 121.300 -0.014 0.000 3.167 358 W HA 0.814 5.478 4.660 0.006 0.000 0.324 358 W C -1.714 174.802 176.519 -0.005 0.000 1.230 358 W CA -2.351 55.009 57.345 0.026 0.000 1.184 358 W CB 0.263 29.781 29.460 0.097 0.000 1.414 358 W HN 0.429 nan 8.180 nan 0.000 0.551 359 Y N 2.823 123.320 120.300 0.327 0.000 2.457 359 Y HA 0.221 4.776 4.550 0.009 0.000 0.341 359 Y C 1.060 177.035 175.900 0.125 0.000 1.240 359 Y CA -0.293 57.886 58.100 0.131 0.000 1.437 359 Y CB 0.947 39.393 38.460 -0.023 0.000 1.328 359 Y HN 0.508 nan 8.280 nan 0.000 0.588 360 M N 2.130 121.888 119.600 0.264 0.000 2.188 360 M HA 0.155 4.640 4.480 0.009 0.000 0.357 360 M C 1.168 177.469 176.300 0.002 0.000 1.204 360 M CA -0.147 55.232 55.300 0.132 0.000 1.095 360 M CB 0.979 33.637 32.600 0.096 0.000 1.604 360 M HN 0.858 nan 8.290 nan 0.000 0.464 361 S N 1.303 116.963 115.700 -0.066 0.000 2.423 361 S HA -0.201 4.274 4.470 0.009 0.000 0.238 361 S C 1.426 175.914 174.600 -0.186 0.000 1.028 361 S CA 2.132 60.225 58.200 -0.179 0.000 1.000 361 S CB -1.311 61.820 63.200 -0.115 0.000 0.797 361 S HN 0.927 nan 8.310 nan 0.000 0.487 362 T N -1.189 113.295 114.554 -0.118 0.000 3.088 362 T HA 0.184 4.539 4.350 0.009 0.000 0.259 362 T C 1.473 176.058 174.700 -0.192 0.000 1.122 362 T CA 0.672 62.666 62.100 -0.178 0.000 1.095 362 T CB -0.327 68.414 68.868 -0.212 0.000 0.930 362 T HN 0.543 nan 8.240 nan 0.000 0.508 363 E N 0.605 120.706 120.200 -0.164 0.000 2.106 363 E HA 0.034 4.390 4.350 0.009 0.000 0.192 363 E C 1.753 178.136 176.600 -0.362 0.000 0.984 363 E CA 1.050 57.365 56.400 -0.142 0.000 0.806 363 E CB -0.104 29.647 29.700 0.084 0.000 0.750 363 E HN 0.612 nan 8.360 nan 0.000 0.458 364 I N -0.459 119.776 120.570 -0.559 0.000 2.681 364 I HA 0.011 4.186 4.170 0.009 0.000 0.247 364 I C 2.523 178.330 176.117 -0.517 0.000 1.091 364 I CA 0.673 61.477 61.300 -0.828 0.000 1.442 364 I CB -0.473 36.907 38.000 -1.033 0.000 1.219 364 I HN 0.065 nan 8.210 nan 0.000 0.451 365 G N 0.563 109.149 108.800 -0.356 0.000 2.440 365 G HA2 -0.192 3.773 3.960 0.009 0.000 0.218 365 G HA3 -0.192 3.773 3.960 0.009 0.000 0.218 365 G C 1.607 176.408 174.900 -0.165 0.000 1.154 365 G CA 1.784 46.758 45.100 -0.210 0.000 0.767 365 G HN 0.328 nan 8.290 nan 0.000 0.552 366 T N -0.184 114.255 114.554 -0.190 0.000 3.045 366 T HA 0.129 4.484 4.350 0.009 0.000 0.239 366 T C 2.459 177.065 174.700 -0.158 0.000 1.008 366 T CA 0.204 62.208 62.100 -0.160 0.000 1.143 366 T CB 0.130 68.887 68.868 -0.186 0.000 0.894 366 T HN 0.026 nan 8.240 nan 0.000 0.451 367 R N 2.365 122.756 120.500 -0.182 0.000 2.065 367 R HA 0.140 4.485 4.340 0.009 0.000 0.224 367 R C 2.152 178.362 176.300 -0.149 0.000 1.161 367 R CA 1.116 57.121 56.100 -0.158 0.000 0.923 367 R CB -1.220 29.000 30.300 -0.134 0.000 0.822 367 R HN 0.352 nan 8.270 nan 0.000 0.437 368 N N 1.165 119.743 118.700 -0.203 0.000 2.244 368 N HA -0.082 4.663 4.740 0.009 0.000 0.183 368 N C 2.041 177.551 175.510 0.000 0.000 1.016 368 N CA 0.965 53.946 53.050 -0.115 0.000 0.866 368 N CB -0.224 38.059 38.487 -0.340 0.000 0.980 368 N HN 0.204 nan 8.380 nan 0.000 0.430 369 L N -0.173 120.970 121.223 -0.132 0.000 2.145 369 L HA 0.039 4.384 4.340 0.009 0.000 0.201 369 L C 1.741 178.642 176.870 0.052 0.000 1.075 369 L CA 0.658 55.496 54.840 -0.004 0.000 0.773 369 L CB -0.143 41.876 42.059 -0.068 0.000 0.936 369 L HN 0.134 nan 8.230 nan 0.000 0.451 370 C N -1.097 118.192 119.300 -0.018 0.000 2.696 370 C HA 0.101 4.566 4.460 0.009 0.000 0.264 370 C C 0.653 175.616 174.990 -0.046 0.000 1.288 370 C CA -1.006 58.006 59.018 -0.010 0.000 1.717 370 C CB -0.981 26.743 27.740 -0.028 0.000 1.893 370 C HN 0.319 nan 8.230 nan 0.000 0.577 371 D N 2.385 122.723 120.400 -0.104 0.000 2.458 371 D HA 0.087 4.732 4.640 0.009 0.000 0.243 371 D C -1.342 174.858 176.300 -0.167 0.000 1.146 371 D CA -1.279 52.591 54.000 -0.217 0.000 0.877 371 D CB 0.618 41.136 40.800 -0.470 0.000 1.176 371 D HN 0.124 nan 8.370 nan 0.000 0.461 372 P HA -0.161 nan 4.420 nan 0.000 0.217 372 P C 0.778 178.102 177.300 0.039 0.000 1.148 372 P CA 1.280 64.393 63.100 0.022 0.000 0.828 372 P CB -0.031 31.725 31.700 0.093 0.000 0.783 373 H N -2.900 116.186 119.070 0.027 0.000 2.529 373 H HA 0.325 4.886 4.556 0.009 0.000 0.277 373 H C 0.994 176.336 175.328 0.022 0.000 1.004 373 H CA -0.124 55.936 56.048 0.020 0.000 1.167 373 H CB 0.170 29.942 29.762 0.017 0.000 1.445 373 H HN 0.015 nan 8.280 nan 0.000 0.554 374 R N 0.015 120.419 120.500 -0.160 0.000 2.471 374 R HA 0.154 4.500 4.340 0.009 0.000 0.113 374 R C 1.218 177.504 176.300 -0.025 0.000 1.392 374 R CA -0.600 55.468 56.100 -0.054 0.000 1.211 374 R CB -0.799 29.515 30.300 0.024 0.000 1.102 374 R HN 0.111 nan 8.270 nan 0.000 0.430 375 Y N 1.443 121.768 120.300 0.041 0.000 2.373 375 Y HA -0.011 4.544 4.550 0.009 0.000 0.293 375 Y C 0.742 176.670 175.900 0.046 0.000 1.129 375 Y CA 1.237 59.377 58.100 0.067 0.000 1.226 375 Y CB -0.084 38.457 38.460 0.135 0.000 1.000 375 Y HN 0.542 nan 8.280 nan 0.000 0.549 376 N N 0.779 119.577 118.700 0.163 0.000 2.727 376 N HA -0.217 4.529 4.740 0.009 0.000 0.251 376 N C 0.351 175.937 175.510 0.127 0.000 1.040 376 N CA 0.382 53.493 53.050 0.103 0.000 0.712 376 N CB -1.092 37.438 38.487 0.071 0.000 0.912 376 N HN 0.585 nan 8.380 nan 0.000 0.545 377 I N -3.145 117.511 120.570 0.144 0.000 3.793 377 I HA 0.048 4.223 4.170 0.009 0.000 0.315 377 I C 1.793 177.991 176.117 0.134 0.000 1.275 377 I CA -0.364 61.018 61.300 0.137 0.000 1.214 377 I CB 0.028 38.114 38.000 0.143 0.000 1.018 377 I HN 0.104 nan 8.210 nan 0.000 0.439 378 L N 1.514 122.828 121.223 0.151 0.000 2.012 378 L HA -0.195 4.150 4.340 0.009 0.000 0.210 378 L C 2.537 179.585 176.870 0.297 0.000 1.073 378 L CA 1.959 56.922 54.840 0.205 0.000 0.748 378 L CB -0.926 41.237 42.059 0.174 0.000 0.891 378 L HN 0.472 nan 8.230 nan 0.000 0.431 379 E N -0.920 119.443 120.200 0.273 0.000 2.051 379 E HA -0.220 4.135 4.350 0.009 0.000 0.192 379 E C 1.766 178.384 176.600 0.031 0.000 0.991 379 E CA 1.292 57.782 56.400 0.150 0.000 0.799 379 E CB 0.043 29.784 29.700 0.069 0.000 0.748 379 E HN 0.525 nan 8.360 nan 0.000 0.449 380 D N 0.196 120.616 120.400 0.033 0.000 2.126 380 D HA -0.190 4.455 4.640 0.009 0.000 0.190 380 D C 2.103 178.382 176.300 -0.036 0.000 1.001 380 D CA 1.350 55.340 54.000 -0.017 0.000 0.841 380 D CB -0.462 40.339 40.800 0.001 0.000 0.949 380 D HN 0.136 nan 8.370 nan 0.000 0.446 381 V N 1.659 121.598 119.914 0.042 0.000 2.343 381 V HA -0.221 3.904 4.120 0.009 0.000 0.247 381 V C 2.617 178.764 176.094 0.089 0.000 1.051 381 V CA 1.786 64.147 62.300 0.100 0.000 1.036 381 V CB -0.831 31.115 31.823 0.205 0.000 0.654 381 V HN 0.208 nan 8.190 nan 0.000 0.451 382 A N -0.234 122.658 122.820 0.121 0.000 1.972 382 A HA -0.137 4.188 4.320 0.009 0.000 0.219 382 A C 2.362 179.916 177.584 -0.050 0.000 1.169 382 A CA 1.918 54.025 52.037 0.116 0.000 0.635 382 A CB -0.566 18.593 19.000 0.265 0.000 0.810 382 A HN 0.364 nan 8.150 nan 0.000 0.446 383 V N -0.715 119.122 119.914 -0.129 0.000 2.307 383 V HA -0.310 3.815 4.120 0.009 0.000 0.245 383 V C 2.537 178.468 176.094 -0.271 0.000 1.045 383 V CA 1.998 64.182 62.300 -0.193 0.000 1.024 383 V CB -1.230 30.481 31.823 -0.187 0.000 0.651 383 V HN 0.699 nan 8.190 nan 0.000 0.449 384 C N -0.355 118.699 119.300 -0.411 0.000 2.419 384 C HA -0.090 4.375 4.460 0.009 0.000 0.283 384 C C 2.610 177.203 174.990 -0.663 0.000 1.373 384 C CA 0.859 59.387 59.018 -0.817 0.000 1.781 384 C CB -1.223 25.578 27.740 -1.566 0.000 1.886 384 C HN 0.528 nan 8.230 nan 0.000 0.520 385 M N -0.507 118.944 119.600 -0.249 0.000 2.509 385 M HA 0.052 4.537 4.480 0.009 0.000 0.250 385 M C 0.544 176.833 176.300 -0.020 0.000 1.132 385 M CA 0.886 56.190 55.300 0.008 0.000 1.080 385 M CB -0.256 32.435 32.600 0.152 0.000 1.408 385 M HN 0.288 nan 8.290 nan 0.000 0.484 386 D N 0.950 121.293 120.400 -0.094 0.000 2.947 386 D HA -0.126 4.519 4.640 0.009 0.000 0.224 386 D C -0.858 175.416 176.300 -0.044 0.000 1.132 386 D CA 0.243 54.195 54.000 -0.081 0.000 0.801 386 D CB -0.829 39.936 40.800 -0.059 0.000 1.097 386 D HN 0.264 nan 8.370 nan 0.000 0.431 387 L N 0.103 121.306 121.223 -0.033 0.000 2.399 387 L HA 0.357 4.702 4.340 0.009 0.000 0.266 387 L C 0.860 177.685 176.870 -0.076 0.000 1.114 387 L CA -0.734 54.110 54.840 0.007 0.000 0.804 387 L CB 0.698 42.825 42.059 0.114 0.000 1.146 387 L HN 0.042 nan 8.230 nan 0.000 0.451 388 D N 1.145 121.523 120.400 -0.036 0.000 2.367 388 D HA -0.006 4.639 4.640 0.009 0.000 0.255 388 D C 0.996 177.146 176.300 -0.251 0.000 1.300 388 D CA -0.018 53.926 54.000 -0.093 0.000 0.959 388 D CB 0.741 41.535 40.800 -0.010 0.000 1.064 388 D HN 0.610 nan 8.370 nan 0.000 0.509 389 T N 0.564 114.794 114.554 -0.539 0.000 3.144 389 T HA 0.030 4.385 4.350 0.009 0.000 0.249 389 T C 1.421 175.738 174.700 -0.640 0.000 1.089 389 T CA -0.206 61.160 62.100 -1.223 0.000 0.989 389 T CB 0.024 68.125 68.868 -1.278 0.000 0.992 389 T HN 0.359 nan 8.240 nan 0.000 0.540 390 R N 0.419 120.757 120.500 -0.270 0.000 2.254 390 R HA 0.266 4.611 4.340 0.009 0.000 0.195 390 R C 0.887 177.204 176.300 0.029 0.000 0.957 390 R CA 0.099 56.139 56.100 -0.100 0.000 1.024 390 R CB -0.494 29.756 30.300 -0.084 0.000 0.952 390 R HN 0.230 nan 8.270 nan 0.000 0.484 391 T N 0.102 114.706 114.554 0.083 0.000 2.807 391 T HA 0.201 4.556 4.350 0.009 0.000 0.279 391 T C 1.030 175.915 174.700 0.309 0.000 0.993 391 T CA -0.218 61.977 62.100 0.158 0.000 0.970 391 T CB 1.598 70.524 68.868 0.097 0.000 0.950 391 T HN 0.367 nan 8.240 nan 0.000 0.441 392 T N 1.582 116.282 114.554 0.243 0.000 2.720 392 T HA -0.155 4.200 4.350 0.009 0.000 0.268 392 T C 2.141 176.899 174.700 0.096 0.000 1.037 392 T CA 1.819 64.018 62.100 0.165 0.000 1.144 392 T CB -0.784 68.124 68.868 0.068 0.000 0.864 392 T HN 0.689 nan 8.240 nan 0.000 0.444 393 S N 1.837 117.592 115.700 0.093 0.000 2.595 393 S HA -0.039 4.436 4.470 0.009 0.000 0.235 393 S C 2.090 176.737 174.600 0.077 0.000 0.974 393 S CA 0.857 59.094 58.200 0.061 0.000 0.942 393 S CB -0.915 62.314 63.200 0.049 0.000 0.766 393 S HN 0.789 nan 8.310 nan 0.000 0.536 394 S N 1.593 117.376 115.700 0.139 0.000 2.496 394 S HA 0.164 4.639 4.470 0.009 0.000 0.224 394 S C 1.030 175.703 174.600 0.122 0.000 0.996 394 S CA 0.394 58.683 58.200 0.148 0.000 0.927 394 S CB -1.016 62.315 63.200 0.218 0.000 0.774 394 S HN 0.756 nan 8.310 nan 0.000 0.524 395 L N 0.781 122.040 121.223 0.059 0.000 3.843 395 L HA -0.184 4.161 4.340 0.009 0.000 0.411 395 L C 1.642 178.514 176.870 0.004 0.000 1.205 395 L CA 0.689 55.503 54.840 -0.044 0.000 0.945 395 L CB -2.722 39.322 42.059 -0.026 0.000 1.929 395 L HN 0.720 nan 8.230 nan 0.000 0.934 396 W N 0.407 121.716 121.300 0.015 0.000 2.321 396 W HA -0.217 4.448 4.660 0.009 0.000 0.285 396 W C 1.647 178.179 176.519 0.023 0.000 1.213 396 W CA 1.618 58.974 57.345 0.019 0.000 1.205 396 W CB -0.698 28.769 29.460 0.012 0.000 1.134 396 W HN 0.369 nan 8.180 nan 0.000 0.549 397 K N 1.100 121.096 120.400 -0.672 0.000 2.007 397 K HA -0.125 4.200 4.320 0.009 0.000 0.206 397 K C 1.543 178.011 176.600 -0.220 0.000 1.047 397 K CA 2.118 58.050 56.287 -0.592 0.000 0.937 397 K CB -0.535 31.477 32.500 -0.812 0.000 0.718 397 K HN 0.077 nan 8.250 nan 0.000 0.438 398 D N 1.172 121.457 120.400 -0.192 0.000 2.117 398 D HA -0.134 4.511 4.640 0.009 0.000 0.197 398 D C 1.765 178.051 176.300 -0.023 0.000 0.987 398 D CA 1.272 55.213 54.000 -0.098 0.000 0.829 398 D CB -0.037 40.712 40.800 -0.086 0.000 0.961 398 D HN 0.143 nan 8.370 nan 0.000 0.460 399 K N 0.466 120.877 120.400 0.018 0.000 2.097 399 K HA -0.041 4.284 4.320 0.009 0.000 0.206 399 K C 2.152 178.815 176.600 0.105 0.000 1.049 399 K CA 1.158 57.488 56.287 0.073 0.000 0.933 399 K CB -0.115 32.449 32.500 0.106 0.000 0.717 399 K HN 0.119 nan 8.250 nan 0.000 0.442 400 A N 1.583 124.477 122.820 0.123 0.000 1.855 400 A HA 0.013 4.338 4.320 0.009 0.000 0.213 400 A C 2.424 180.089 177.584 0.135 0.000 1.195 400 A CA 1.407 53.546 52.037 0.170 0.000 0.610 400 A CB -0.710 18.423 19.000 0.221 0.000 0.837 400 A HN 0.280 nan 8.150 nan 0.000 0.444 401 A N -0.269 122.591 122.820 0.066 0.000 1.986 401 A HA -0.079 4.246 4.320 0.009 0.000 0.220 401 A C 2.201 179.803 177.584 0.029 0.000 1.171 401 A CA 2.062 54.115 52.037 0.026 0.000 0.640 401 A CB -0.984 17.993 19.000 -0.039 0.000 0.811 401 A HN 0.430 nan 8.150 nan 0.000 0.451 402 V N 0.191 120.131 119.914 0.043 0.000 2.270 402 V HA -0.219 3.907 4.120 0.009 0.000 0.245 402 V C 2.510 178.654 176.094 0.083 0.000 1.043 402 V CA 2.011 64.344 62.300 0.054 0.000 1.014 402 V CB -0.856 31.003 31.823 0.061 0.000 0.645 402 V HN 0.524 nan 8.190 nan 0.000 0.447 403 E N 0.256 120.537 120.200 0.135 0.000 2.097 403 E HA -0.226 4.129 4.350 0.009 0.000 0.196 403 E C 2.121 178.822 176.600 0.168 0.000 1.000 403 E CA 1.673 58.204 56.400 0.219 0.000 0.804 403 E CB -0.459 29.366 29.700 0.207 0.000 0.740 403 E HN 0.609 nan 8.360 nan 0.000 0.454 404 I N 1.461 122.134 120.570 0.172 0.000 2.202 404 I HA -0.240 3.935 4.170 0.009 0.000 0.242 404 I C 2.225 178.350 176.117 0.012 0.000 1.091 404 I CA 0.794 62.193 61.300 0.165 0.000 1.368 404 I CB -0.354 37.780 38.000 0.223 0.000 1.058 404 I HN 0.064 nan 8.210 nan 0.000 0.410 405 N N 0.820 119.518 118.700 -0.003 0.000 2.104 405 N HA -0.208 4.537 4.740 0.009 0.000 0.190 405 N C 1.923 177.401 175.510 -0.054 0.000 1.024 405 N CA 1.360 54.385 53.050 -0.042 0.000 0.853 405 N CB -0.289 38.185 38.487 -0.022 0.000 1.008 405 N HN 0.188 nan 8.380 nan 0.000 0.424 406 L N 1.411 122.602 121.223 -0.054 0.000 2.083 406 L HA -0.070 4.275 4.340 0.009 0.000 0.209 406 L C 2.191 178.922 176.870 -0.232 0.000 1.083 406 L CA 1.426 56.187 54.840 -0.132 0.000 0.752 406 L CB -0.773 41.187 42.059 -0.165 0.000 0.899 406 L HN 0.073 nan 8.230 nan 0.000 0.433 407 A N -1.530 121.113 122.820 -0.295 0.000 1.897 407 A HA -0.064 4.261 4.320 0.009 0.000 0.215 407 A C 2.239 179.728 177.584 -0.157 0.000 1.181 407 A CA 1.462 53.269 52.037 -0.384 0.000 0.620 407 A CB -0.930 17.562 19.000 -0.846 0.000 0.821 407 A HN 0.248 nan 8.150 nan 0.000 0.443 408 V N 0.280 120.125 119.914 -0.115 0.000 2.220 408 V HA -0.340 3.785 4.120 0.009 0.000 0.250 408 V C 2.569 178.649 176.094 -0.022 0.000 1.056 408 V CA 2.325 64.593 62.300 -0.054 0.000 1.016 408 V CB -0.907 30.814 31.823 -0.169 0.000 0.639 408 V HN 0.597 nan 8.190 nan 0.000 0.446 409 L N -0.609 120.571 121.223 -0.072 0.000 2.081 409 L HA -0.285 4.060 4.340 0.009 0.000 0.212 409 L C 2.510 179.397 176.870 0.028 0.000 1.080 409 L CA 2.344 57.159 54.840 -0.042 0.000 0.754 409 L CB -0.621 41.413 42.059 -0.041 0.000 0.893 409 L HN 0.611 nan 8.230 nan 0.000 0.433 410 H N -1.367 117.649 119.070 -0.090 0.000 2.355 410 H HA -0.049 4.512 4.556 0.009 0.000 0.303 410 H C 2.335 177.641 175.328 -0.036 0.000 1.061 410 H CA 1.362 57.352 56.048 -0.096 0.000 1.368 410 H CB 0.033 29.677 29.762 -0.198 0.000 1.412 410 H HN 0.098 nan 8.280 nan 0.000 0.523 411 S N 0.294 115.927 115.700 -0.111 0.000 2.381 411 S HA -0.215 4.260 4.470 0.009 0.000 0.230 411 S C 1.822 176.383 174.600 -0.065 0.000 1.052 411 S CA 1.756 59.893 58.200 -0.104 0.000 1.068 411 S CB -0.610 62.617 63.200 0.044 0.000 0.918 411 S HN 0.347 nan 8.310 nan 0.000 0.448 412 F N 1.506 121.375 119.950 -0.135 0.000 2.146 412 F HA -0.074 4.458 4.527 0.008 0.000 0.298 412 F C 2.703 178.430 175.800 -0.120 0.000 1.096 412 F CA 0.998 58.941 58.000 -0.094 0.000 1.275 412 F CB -0.775 38.194 39.000 -0.052 0.000 1.008 412 F HN 0.153 nan 8.300 nan 0.000 0.480 413 Q N -0.302 119.520 119.800 0.038 0.000 2.061 413 Q HA -0.238 4.107 4.340 0.009 0.000 0.204 413 Q C 2.216 178.145 176.000 -0.117 0.000 0.984 413 Q CA 1.824 57.596 55.803 -0.052 0.000 0.846 413 Q CB -0.503 28.191 28.738 -0.073 0.000 0.902 413 Q HN 0.346 nan 8.270 nan 0.000 0.421 414 L N -0.338 120.753 121.223 -0.219 0.000 2.093 414 L HA -0.030 4.315 4.340 0.009 0.000 0.208 414 L C 1.843 178.622 176.870 -0.152 0.000 1.085 414 L CA 1.832 56.541 54.840 -0.219 0.000 0.755 414 L CB -0.502 41.348 42.059 -0.348 0.000 0.904 414 L HN 0.166 nan 8.230 nan 0.000 0.435 415 A N -1.280 121.442 122.820 -0.163 0.000 2.235 415 A HA -0.014 4.311 4.320 0.009 0.000 0.208 415 A C 0.758 178.272 177.584 -0.118 0.000 1.172 415 A CA 0.249 52.196 52.037 -0.149 0.000 0.786 415 A CB -0.349 18.522 19.000 -0.215 0.000 0.804 415 A HN 0.434 nan 8.150 nan 0.000 0.479 416 K N -1.198 119.146 120.400 -0.094 0.000 3.181 416 K HA -0.118 4.207 4.320 0.009 0.000 0.269 416 K C -0.756 175.811 176.600 -0.056 0.000 1.097 416 K CA 0.760 57.007 56.287 -0.067 0.000 0.783 416 K CB -2.643 29.820 32.500 -0.062 0.000 1.267 416 K HN 0.271 nan 8.250 nan 0.000 0.484 417 V N 1.162 121.054 119.914 -0.037 0.000 2.495 417 V HA 0.177 4.303 4.120 0.009 0.000 0.298 417 V C 0.725 176.902 176.094 0.138 0.000 1.031 417 V CA -0.662 61.648 62.300 0.018 0.000 0.871 417 V CB 2.063 33.817 31.823 -0.115 0.000 0.988 417 V HN 0.282 nan 8.190 nan 0.000 0.432 418 T N 6.307 120.898 114.554 0.061 0.000 2.871 418 T HA 0.346 4.701 4.350 0.009 0.000 0.296 418 T C -0.248 174.488 174.700 0.060 0.000 0.998 418 T CA 0.844 62.889 62.100 -0.091 0.000 1.162 418 T CB 0.012 68.678 68.868 -0.336 0.000 0.947 418 T HN 0.472 nan 8.240 nan 0.000 0.536 419 I N 3.246 123.795 120.570 -0.036 0.000 3.191 419 I HA 0.797 4.972 4.170 0.009 0.000 0.313 419 I C -1.495 174.594 176.117 -0.047 0.000 1.193 419 I CA -0.983 60.301 61.300 -0.027 0.000 0.968 419 I CB 2.393 40.309 38.000 -0.140 0.000 1.262 419 I HN 0.408 nan 8.210 nan 0.000 0.456 420 V N 3.763 123.697 119.914 0.032 0.000 2.852 420 V HA 0.423 4.548 4.120 0.009 0.000 0.300 420 V C -1.857 174.262 176.094 0.042 0.000 1.205 420 V CA -0.485 61.849 62.300 0.056 0.000 0.940 420 V CB 2.124 34.049 31.823 0.171 0.000 1.047 420 V HN 0.918 nan 8.190 nan 0.000 0.429 421 D N 3.022 123.423 120.400 0.001 0.000 2.345 421 D HA 0.248 4.893 4.640 0.009 0.000 0.247 421 D C 1.203 177.452 176.300 -0.085 0.000 1.108 421 D CA 0.432 54.412 54.000 -0.034 0.000 0.894 421 D CB 0.820 41.559 40.800 -0.101 0.000 1.203 421 D HN 0.842 nan 8.370 nan 0.000 0.430 422 H N 0.515 119.538 119.070 -0.078 0.000 2.407 422 H HA -0.310 4.251 4.556 0.009 0.000 0.293 422 H C 1.197 176.429 175.328 -0.161 0.000 1.122 422 H CA 1.874 57.829 56.048 -0.155 0.000 1.232 422 H CB -0.549 29.054 29.762 -0.264 0.000 1.361 422 H HN 0.513 nan 8.280 nan 0.000 0.498 423 H N 0.712 119.527 119.070 -0.424 0.000 2.270 423 H HA -0.008 4.553 4.556 0.008 0.000 0.299 423 H C 2.625 177.917 175.328 -0.060 0.000 1.077 423 H CA 1.427 57.356 56.048 -0.198 0.000 1.294 423 H CB -0.516 29.095 29.762 -0.251 0.000 1.371 423 H HN 0.617 nan 8.280 nan 0.000 0.491 424 A N 1.130 123.980 122.820 0.049 0.000 1.969 424 A HA 0.035 4.360 4.320 0.009 0.000 0.218 424 A C 2.586 180.225 177.584 0.092 0.000 1.169 424 A CA 1.283 53.360 52.037 0.067 0.000 0.635 424 A CB -0.578 18.452 19.000 0.050 0.000 0.810 424 A HN 0.431 nan 8.150 nan 0.000 0.445 425 A N -0.458 122.412 122.820 0.084 0.000 2.119 425 A HA 0.041 4.366 4.320 0.009 0.000 0.217 425 A C 2.196 179.862 177.584 0.135 0.000 1.153 425 A CA 2.077 54.187 52.037 0.121 0.000 0.692 425 A CB -0.726 18.337 19.000 0.105 0.000 0.799 425 A HN 0.641 nan 8.150 nan 0.000 0.458 426 T N -4.198 110.425 114.554 0.114 0.000 3.046 426 T HA 0.041 4.396 4.350 0.009 0.000 0.242 426 T C 1.592 176.409 174.700 0.195 0.000 1.018 426 T CA 0.783 62.971 62.100 0.148 0.000 1.131 426 T CB -0.620 68.294 68.868 0.077 0.000 0.904 426 T HN -0.014 nan 8.240 nan 0.000 0.459 427 V N 3.311 123.314 119.914 0.148 0.000 2.428 427 V HA -0.212 3.913 4.120 0.009 0.000 0.255 427 V C 3.021 179.203 176.094 0.147 0.000 1.080 427 V CA 2.317 64.700 62.300 0.137 0.000 1.083 427 V CB -0.936 30.951 31.823 0.107 0.000 0.665 427 V HN 0.823 nan 8.190 nan 0.000 0.461 428 S N -1.755 114.049 115.700 0.174 0.000 2.503 428 S HA 0.019 4.494 4.470 0.009 0.000 0.215 428 S C 1.704 176.443 174.600 0.232 0.000 1.003 428 S CA 0.270 58.575 58.200 0.174 0.000 0.910 428 S CB -0.329 62.971 63.200 0.167 0.000 0.790 428 S HN 0.476 nan 8.310 nan 0.000 0.514 429 F N 2.509 122.524 119.950 0.109 0.000 2.259 429 F HA 0.186 4.718 4.527 0.008 0.000 0.298 429 F C 2.101 177.988 175.800 0.144 0.000 1.088 429 F CA 0.948 59.027 58.000 0.132 0.000 1.358 429 F CB -0.289 38.765 39.000 0.091 0.000 1.040 429 F HN 0.090 nan 8.300 nan 0.000 0.505 430 M N 0.302 120.002 119.600 0.166 0.000 2.080 430 M HA -0.211 4.275 4.480 0.009 0.000 0.260 430 M C 2.257 178.546 176.300 -0.018 0.000 1.068 430 M CA 1.687 57.020 55.300 0.054 0.000 1.109 430 M CB -1.368 31.299 32.600 0.112 0.000 1.342 430 M HN 0.071 nan 8.290 nan 0.000 0.405 431 K N -0.255 120.166 120.400 0.035 0.000 2.026 431 K HA -0.219 4.106 4.320 0.009 0.000 0.208 431 K C 2.005 178.593 176.600 -0.019 0.000 1.048 431 K CA 1.964 58.263 56.287 0.020 0.000 0.929 431 K CB -0.770 31.764 32.500 0.057 0.000 0.713 431 K HN 0.416 nan 8.250 nan 0.000 0.439 432 H N 0.098 119.103 119.070 -0.109 0.000 2.353 432 H HA -0.090 4.471 4.556 0.008 0.000 0.298 432 H C 1.736 176.916 175.328 -0.246 0.000 1.103 432 H CA 2.328 58.282 56.048 -0.157 0.000 1.293 432 H CB -0.264 29.395 29.762 -0.171 0.000 1.372 432 H HN 0.211 nan 8.280 nan 0.000 0.501 433 L N 0.005 120.935 121.223 -0.487 0.000 2.042 433 L HA -0.191 4.155 4.340 0.009 0.000 0.210 433 L C 2.489 179.191 176.870 -0.279 0.000 1.076 433 L CA 1.792 56.363 54.840 -0.448 0.000 0.749 433 L CB -0.478 41.371 42.059 -0.349 0.000 0.893 433 L HN 0.496 nan 8.230 nan 0.000 0.432 434 D N -0.183 120.104 120.400 -0.187 0.000 2.123 434 D HA -0.163 4.482 4.640 0.009 0.000 0.200 434 D C 1.720 177.945 176.300 -0.125 0.000 0.976 434 D CA 0.961 54.888 54.000 -0.122 0.000 0.831 434 D CB 0.086 40.844 40.800 -0.069 0.000 0.974 434 D HN 0.288 nan 8.370 nan 0.000 0.469 435 N N 1.189 119.806 118.700 -0.139 0.000 2.043 435 N HA -0.151 4.594 4.740 0.009 0.000 0.193 435 N C 1.676 177.093 175.510 -0.154 0.000 1.037 435 N CA 0.902 53.887 53.050 -0.109 0.000 0.851 435 N CB -0.490 37.959 38.487 -0.062 0.000 1.027 435 N HN 0.316 nan 8.380 nan 0.000 0.422 436 E N 0.714 120.737 120.200 -0.295 0.000 2.204 436 E HA -0.170 4.185 4.350 0.009 0.000 0.195 436 E C 1.894 178.390 176.600 -0.174 0.000 0.990 436 E CA 0.573 56.805 56.400 -0.280 0.000 0.821 436 E CB -0.125 29.311 29.700 -0.440 0.000 0.750 436 E HN 0.379 nan 8.360 nan 0.000 0.477 437 Q N 1.396 121.102 119.800 -0.156 0.000 2.050 437 Q HA -0.114 4.231 4.340 0.009 0.000 0.202 437 Q C 1.883 177.834 176.000 -0.082 0.000 0.980 437 Q CA 1.686 57.427 55.803 -0.103 0.000 0.840 437 Q CB 0.012 28.697 28.738 -0.088 0.000 0.898 437 Q HN 0.104 nan 8.270 nan 0.000 0.424 438 K N -0.784 119.570 120.400 -0.076 0.000 2.057 438 K HA -0.039 4.286 4.320 0.009 0.000 0.206 438 K C 2.001 178.570 176.600 -0.052 0.000 1.050 438 K CA 1.090 57.343 56.287 -0.056 0.000 0.935 438 K CB -0.209 32.264 32.500 -0.044 0.000 0.715 438 K HN 0.274 nan 8.250 nan 0.000 0.439 439 A N 1.042 123.829 122.820 -0.054 0.000 1.897 439 A HA -0.082 4.243 4.320 0.009 0.000 0.215 439 A C 1.743 179.297 177.584 -0.051 0.000 1.181 439 A CA 1.240 53.254 52.037 -0.038 0.000 0.620 439 A CB -0.027 18.965 19.000 -0.015 0.000 0.821 439 A HN 0.187 nan 8.150 nan 0.000 0.443 440 R N -2.692 117.766 120.500 -0.071 0.000 2.541 440 R HA 0.267 4.612 4.340 0.009 0.000 0.332 440 R C 0.798 177.054 176.300 -0.073 0.000 0.951 440 R CA 0.497 56.556 56.100 -0.067 0.000 1.136 440 R CB 0.701 30.958 30.300 -0.072 0.000 1.449 440 R HN 0.695 nan 8.270 nan 0.000 0.531 441 G N 1.001 109.752 108.800 -0.081 0.000 2.160 441 G HA2 -0.167 3.798 3.960 0.009 0.000 0.244 441 G HA3 -0.167 3.798 3.960 0.009 0.000 0.244 441 G C 0.209 175.073 174.900 -0.061 0.000 1.022 441 G CA 0.076 45.122 45.100 -0.090 0.000 0.741 441 G HN 0.727 nan 8.290 nan 0.000 0.508 442 G N -2.484 106.288 108.800 -0.047 0.000 2.353 442 G HA2 0.516 4.481 3.960 0.009 0.000 0.308 442 G HA3 0.516 4.481 3.960 0.009 0.000 0.308 442 G C -0.774 174.130 174.900 0.007 0.000 1.418 442 G CA 0.289 45.394 45.100 0.009 0.000 0.966 442 G HN 1.894 nan 8.290 nan 0.000 0.638 443 C N 2.381 121.710 119.300 0.049 0.000 2.727 443 C HA 0.710 5.175 4.460 0.009 0.000 0.369 443 C C -2.444 172.529 174.990 -0.028 0.000 1.067 443 C CA -1.258 57.743 59.018 -0.028 0.000 1.273 443 C CB 1.163 28.814 27.740 -0.148 0.000 1.778 443 C HN 0.706 nan 8.230 nan 0.000 0.467 444 P HA 0.352 nan 4.420 nan 0.000 0.267 444 P C -0.681 176.542 177.300 -0.129 0.000 1.209 444 P CA 0.640 63.418 63.100 -0.536 0.000 0.763 444 P CB 0.836 32.018 31.700 -0.865 0.000 0.816 445 A N 2.721 125.532 122.820 -0.016 0.000 2.408 445 A HA 0.303 4.628 4.320 0.009 0.000 0.295 445 A C -0.564 177.093 177.584 0.122 0.000 1.040 445 A CA -0.581 51.537 52.037 0.136 0.000 0.707 445 A CB 1.052 20.260 19.000 0.347 0.000 1.235 445 A HN 0.455 nan 8.150 nan 0.000 0.418 446 D N 2.659 123.109 120.400 0.083 0.000 2.517 446 D HA 0.035 4.680 4.640 0.009 0.000 0.220 446 D C 0.995 177.445 176.300 0.249 0.000 1.158 446 D CA -0.377 53.706 54.000 0.138 0.000 0.992 446 D CB 0.010 40.808 40.800 -0.004 0.000 1.058 446 D HN 0.650 nan 8.370 nan 0.000 0.516 447 W N 3.760 125.121 121.300 0.100 0.000 2.235 447 W HA -0.427 4.238 4.660 0.009 0.000 0.330 447 W C 2.031 178.607 176.519 0.095 0.000 1.329 447 W CA 2.887 60.279 57.345 0.080 0.000 1.337 447 W CB -0.134 29.352 29.460 0.043 0.000 1.115 447 W HN 0.515 nan 8.180 nan 0.000 0.491 448 A N -1.862 121.239 122.820 0.468 0.000 1.972 448 A HA -0.176 4.149 4.320 0.009 0.000 0.219 448 A C 1.407 179.085 177.584 0.157 0.000 1.169 448 A CA 1.559 53.812 52.037 0.360 0.000 0.635 448 A CB -1.267 17.969 19.000 0.393 0.000 0.810 448 A HN 0.506 nan 8.150 nan 0.000 0.446 449 W N -1.112 120.178 121.300 -0.016 0.000 3.077 449 W HA 0.286 4.951 4.660 0.008 0.000 0.266 449 W C 1.673 178.089 176.519 -0.172 0.000 1.300 449 W CA -0.301 57.002 57.345 -0.069 0.000 1.586 449 W CB 0.039 29.479 29.460 -0.034 0.000 1.103 449 W HN 0.156 nan 8.180 nan 0.000 0.652 450 I N -0.609 119.917 120.570 -0.073 0.000 2.810 450 I HA -0.003 4.172 4.170 0.009 0.000 0.262 450 I C 0.569 176.490 176.117 -0.327 0.000 1.131 450 I CA 0.527 61.658 61.300 -0.282 0.000 1.453 450 I CB -1.068 36.695 38.000 -0.395 0.000 1.161 450 I HN -0.457 nan 8.210 nan 0.000 0.444 451 V N 4.656 124.304 119.914 -0.443 0.000 2.539 451 V HA -0.027 4.098 4.120 0.009 0.000 0.300 451 V C -2.003 173.936 176.094 -0.259 0.000 1.019 451 V CA -0.595 61.450 62.300 -0.425 0.000 1.160 451 V CB -0.821 30.559 31.823 -0.738 0.000 0.901 451 V HN 0.149 nan 8.190 nan 0.000 0.481 452 P HA 0.165 nan 4.420 nan 0.000 0.272 452 P C -1.628 175.552 177.300 -0.201 0.000 1.223 452 P CA -1.344 61.638 63.100 -0.197 0.000 0.784 452 P CB 0.073 31.649 31.700 -0.206 0.000 0.923 453 P HA -0.074 nan 4.420 nan 0.000 0.225 453 P C 0.315 177.495 177.300 -0.199 0.000 1.148 453 P CA 1.295 64.282 63.100 -0.189 0.000 0.779 453 P CB -0.057 31.529 31.700 -0.190 0.000 0.780 454 I N -6.885 113.523 120.570 -0.269 0.000 3.206 454 I HA 0.449 4.624 4.170 0.009 0.000 0.313 454 I C 0.415 176.372 176.117 -0.266 0.000 1.103 454 I CA -1.340 59.802 61.300 -0.263 0.000 0.985 454 I CB 1.093 38.922 38.000 -0.284 0.000 1.240 454 I HN -0.440 nan 8.210 nan 0.000 0.464 455 S N 1.188 116.780 115.700 -0.180 0.000 3.312 455 S HA -0.240 4.235 4.470 0.009 0.000 0.388 455 S C 1.408 175.918 174.600 -0.149 0.000 1.020 455 S CA 0.790 58.923 58.200 -0.111 0.000 1.127 455 S CB -2.063 61.149 63.200 0.020 0.000 0.892 455 S HN 1.236 nan 8.310 nan 0.000 0.475 456 G N 2.669 111.361 108.800 -0.179 0.000 2.802 456 G HA2 -0.398 3.567 3.960 0.009 0.000 0.222 456 G HA3 -0.398 3.567 3.960 0.009 0.000 0.222 456 G C 1.497 176.176 174.900 -0.369 0.000 1.248 456 G CA 1.814 46.809 45.100 -0.176 0.000 0.787 456 G HN 1.300 nan 8.290 nan 0.000 0.643 457 S N -0.271 114.847 115.700 -0.969 0.000 2.528 457 S HA 0.046 4.521 4.470 0.009 0.000 0.244 457 S C 2.056 176.474 174.600 -0.303 0.000 0.982 457 S CA 1.315 58.724 58.200 -1.318 0.000 0.953 457 S CB -0.093 62.394 63.200 -1.189 0.000 0.754 457 S HN 0.126 nan 8.310 nan 0.000 0.529 458 L N 1.935 123.073 121.223 -0.140 0.000 2.529 458 L HA 0.291 4.636 4.340 0.009 0.000 0.223 458 L C 1.256 178.220 176.870 0.158 0.000 1.113 458 L CA 0.848 55.726 54.840 0.064 0.000 0.861 458 L CB -0.152 41.968 42.059 0.101 0.000 1.012 458 L HN 0.586 nan 8.230 nan 0.000 0.461 459 T N -4.047 110.563 114.554 0.092 0.000 2.928 459 T HA 0.330 4.685 4.350 0.009 0.000 0.284 459 T C -1.719 173.101 174.700 0.200 0.000 1.008 459 T CA -1.799 60.373 62.100 0.119 0.000 1.057 459 T CB 1.419 70.299 68.868 0.019 0.000 1.018 459 T HN -0.120 nan 8.240 nan 0.000 0.493 460 P HA -0.036 nan 4.420 nan 0.000 0.222 460 P C 1.831 179.294 177.300 0.273 0.000 1.153 460 P CA 0.771 64.058 63.100 0.313 0.000 0.798 460 P CB -0.364 31.479 31.700 0.237 0.000 0.796 461 V N -3.765 116.249 119.914 0.167 0.000 2.720 461 V HA -0.203 3.922 4.120 0.009 0.000 0.256 461 V C 2.286 178.400 176.094 0.033 0.000 1.082 461 V CA 1.110 63.475 62.300 0.109 0.000 1.101 461 V CB -2.207 29.626 31.823 0.017 0.000 0.693 461 V HN -0.123 nan 8.190 nan 0.000 0.479 462 F N 2.116 121.962 119.950 -0.173 0.000 2.095 462 F HA -0.196 4.336 4.527 0.008 0.000 0.298 462 F C 2.453 178.344 175.800 0.153 0.000 1.104 462 F CA 2.307 60.202 58.000 -0.175 0.000 1.232 462 F CB -0.298 38.466 39.000 -0.393 0.000 0.987 462 F HN 0.304 nan 8.300 nan 0.000 0.475 463 H N -0.510 118.850 119.070 0.484 0.000 2.572 463 H HA 0.095 4.656 4.556 0.008 0.000 0.278 463 H C 0.011 175.586 175.328 0.411 0.000 1.050 463 H CA 0.271 56.571 56.048 0.419 0.000 1.168 463 H CB -0.529 29.474 29.762 0.402 0.000 1.316 463 H HN 0.269 nan 8.280 nan 0.000 0.610 464 Q N 1.797 121.896 119.800 0.498 0.000 2.339 464 Q HA 0.190 4.536 4.340 0.009 0.000 0.268 464 Q C -0.799 175.463 176.000 0.436 0.000 1.027 464 Q CA -0.564 55.482 55.803 0.405 0.000 0.759 464 Q CB 1.024 29.957 28.738 0.325 0.000 1.244 464 Q HN 0.264 nan 8.270 nan 0.000 0.464 465 E N 3.595 123.970 120.200 0.292 0.000 2.392 465 E HA 0.288 4.643 4.350 0.009 0.000 0.264 465 E C -0.377 176.357 176.600 0.222 0.000 1.024 465 E CA 0.315 56.833 56.400 0.197 0.000 0.903 465 E CB 0.861 30.645 29.700 0.140 0.000 0.963 465 E HN 0.574 nan 8.360 nan 0.000 0.432 466 M N 1.409 121.146 119.600 0.228 0.000 2.572 466 M HA 0.438 4.923 4.480 0.009 0.000 0.299 466 M C -1.144 175.268 176.300 0.187 0.000 1.205 466 M CA -1.103 54.340 55.300 0.238 0.000 0.876 466 M CB 2.376 35.181 32.600 0.341 0.000 1.728 466 M HN 0.174 nan 8.290 nan 0.000 0.458 467 V N 1.427 121.462 119.914 0.202 0.000 2.495 467 V HA 0.471 4.596 4.120 0.009 0.000 0.298 467 V C -0.775 175.441 176.094 0.204 0.000 1.031 467 V CA -0.725 61.728 62.300 0.255 0.000 0.871 467 V CB 1.735 33.772 31.823 0.357 0.000 0.988 467 V HN 0.921 nan 8.190 nan 0.000 0.432 468 N N 3.525 122.335 118.700 0.182 0.000 2.346 468 N HA 0.672 5.417 4.740 0.009 0.000 0.289 468 N C -1.726 173.851 175.510 0.113 0.000 1.027 468 N CA -0.379 52.664 53.050 -0.012 0.000 0.864 468 N CB 2.075 40.577 38.487 0.025 0.000 1.370 468 N HN 0.704 nan 8.380 nan 0.000 0.481 469 Y N 1.057 121.375 120.300 0.030 0.000 2.705 469 Y HA 0.566 5.121 4.550 0.009 0.000 0.332 469 Y C -1.209 174.694 175.900 0.005 0.000 1.221 469 Y CA -1.169 56.943 58.100 0.020 0.000 1.059 469 Y CB 0.809 39.286 38.460 0.029 0.000 1.298 469 Y HN 0.173 nan 8.280 nan 0.000 0.459 470 I N 3.101 123.762 120.570 0.151 0.000 2.330 470 I HA 0.374 4.549 4.170 0.009 0.000 0.289 470 I C -0.798 175.380 176.117 0.101 0.000 1.001 470 I CA -0.370 60.961 61.300 0.052 0.000 1.193 470 I CB 0.952 38.966 38.000 0.023 0.000 1.345 470 I HN 0.379 nan 8.210 nan 0.000 0.461 471 L N 4.939 126.195 121.223 0.055 0.000 2.331 471 L HA 0.552 4.897 4.340 0.009 0.000 0.275 471 L C 0.160 177.031 176.870 0.001 0.000 1.022 471 L CA -0.461 54.415 54.840 0.060 0.000 0.812 471 L CB 1.909 44.006 42.059 0.063 0.000 1.257 471 L HN 0.527 nan 8.230 nan 0.000 0.435 472 S N 2.223 117.931 115.700 0.013 0.000 2.532 472 S HA 0.626 5.101 4.470 0.009 0.000 0.301 472 S C -2.534 172.064 174.600 -0.003 0.000 1.083 472 S CA -1.505 56.685 58.200 -0.017 0.000 1.025 472 S CB 1.762 64.966 63.200 0.007 0.000 1.056 472 S HN 0.250 nan 8.310 nan 0.000 0.494 473 P HA 0.312 nan 4.420 nan 0.000 0.266 473 P C -1.390 175.779 177.300 -0.217 0.000 1.193 473 P CA -0.012 62.971 63.100 -0.196 0.000 0.770 473 P CB 0.434 31.950 31.700 -0.306 0.000 0.836 474 A N 2.263 124.931 122.820 -0.254 0.000 2.475 474 A HA 0.676 5.002 4.320 0.009 0.000 0.301 474 A C -1.005 176.351 177.584 -0.380 0.000 1.059 474 A CA -0.580 51.309 52.037 -0.246 0.000 0.710 474 A CB 0.683 19.610 19.000 -0.121 0.000 1.288 474 A HN 0.299 nan 8.150 nan 0.000 0.408 475 F N 1.175 121.043 119.950 -0.137 0.000 2.471 475 F HA 0.587 5.118 4.527 0.008 0.000 0.353 475 F C 1.245 176.948 175.800 -0.162 0.000 1.113 475 F CA 0.804 58.727 58.000 -0.130 0.000 1.262 475 F CB 0.837 39.731 39.000 -0.177 0.000 1.146 475 F HN 0.511 nan 8.300 nan 0.000 0.578 476 R N 1.270 121.799 120.500 0.047 0.000 2.680 476 R HA 0.327 4.672 4.340 0.009 0.000 0.269 476 R C -1.746 174.546 176.300 -0.013 0.000 1.026 476 R CA -1.211 54.842 56.100 -0.078 0.000 0.889 476 R CB 1.671 31.954 30.300 -0.028 0.000 1.241 476 R HN 0.378 nan 8.270 nan 0.000 0.463 477 Y N 1.819 122.141 120.300 0.038 0.000 2.336 477 Y HA 0.113 4.668 4.550 0.009 0.000 0.331 477 Y C 0.805 176.706 175.900 0.002 0.000 1.211 477 Y CA -0.082 58.032 58.100 0.023 0.000 1.346 477 Y CB 0.748 39.209 38.460 0.002 0.000 1.271 477 Y HN 0.402 nan 8.280 nan 0.000 0.538 478 Q N 2.425 122.329 119.800 0.173 0.000 2.433 478 Q HA 0.645 4.990 4.340 0.009 0.000 0.279 478 Q C -2.951 173.021 176.000 -0.046 0.000 1.105 478 Q CA -2.493 53.337 55.803 0.045 0.000 0.815 478 Q CB 1.835 30.589 28.738 0.027 0.000 1.403 478 Q HN 0.315 nan 8.270 nan 0.000 0.435 479 P HA 0.084 nan 4.420 nan 0.000 0.271 479 P C -0.736 176.347 177.300 -0.362 0.000 1.226 479 P CA -0.034 62.931 63.100 -0.226 0.000 0.765 479 P CB 0.409 31.985 31.700 -0.206 0.000 0.835 480 D N 4.915 124.985 120.400 -0.550 0.000 2.601 480 D HA -0.070 4.575 4.640 0.009 0.000 0.229 480 D C -1.451 174.223 176.300 -1.044 0.000 1.140 480 D CA -0.248 53.181 54.000 -0.950 0.000 0.862 480 D CB 0.101 39.879 40.800 -1.704 0.000 1.192 480 D HN 0.289 nan 8.370 nan 0.000 0.480 481 P HA 0.005 nan 4.420 nan 0.000 0.237 481 P C -0.189 176.739 177.300 -0.620 0.000 1.178 481 P CA 0.572 63.235 63.100 -0.728 0.000 0.766 481 P CB 0.105 31.227 31.700 -0.964 0.000 0.876 482 W N 0.000 120.943 121.300 -0.594 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.119 57.345 -0.377 0.000 1.226 482 W CB 0.000 29.239 29.460 -0.368 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535