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 1fop_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.011 0.000 0.244 67 G C 0.000 174.863 174.900 -0.062 0.000 0.946 67 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 68 P HA 0.312 nan 4.420 nan 0.000 0.268 68 P C -0.601 176.720 177.300 0.035 0.000 1.208 68 P CA 0.166 63.192 63.100 -0.123 0.000 0.777 68 P CB 0.444 31.834 31.700 -0.517 0.000 0.875 69 K N 2.307 122.709 120.400 0.003 0.000 3.016 69 K HA 0.336 4.662 4.320 0.011 0.000 0.226 69 K C -0.795 175.473 176.600 -0.554 0.000 1.245 69 K CA -0.093 56.061 56.287 -0.222 0.000 1.174 69 K CB -0.146 32.170 32.500 -0.307 0.000 1.572 69 K HN 0.353 nan 8.250 nan 0.000 0.462 70 F N -0.286 119.701 119.950 0.061 0.000 2.685 70 F HA 0.332 4.865 4.527 0.011 0.000 0.315 70 F C -2.361 173.523 175.800 0.139 0.000 1.126 70 F CA -2.838 55.207 58.000 0.075 0.000 0.950 70 F CB 0.664 39.710 39.000 0.077 0.000 1.360 70 F HN -0.045 nan 8.300 nan 0.000 0.469 71 P HA 0.122 nan 4.420 nan 0.000 0.264 71 P C -0.862 176.520 177.300 0.138 0.000 1.193 71 P CA -0.124 63.081 63.100 0.175 0.000 0.763 71 P CB 0.492 32.270 31.700 0.129 0.000 0.810 72 R N 3.016 123.535 120.500 0.031 0.000 2.254 72 R HA 0.402 4.749 4.340 0.011 0.000 0.318 72 R C -1.176 175.013 176.300 -0.185 0.000 1.031 72 R CA -0.511 55.425 56.100 -0.274 0.000 0.905 72 R CB 0.462 30.647 30.300 -0.192 0.000 1.050 72 R HN 0.227 nan 8.270 nan 0.000 0.456 73 V N 5.019 124.786 119.914 -0.245 0.000 2.448 73 V HA 0.375 4.502 4.120 0.011 0.000 0.295 73 V C -0.254 175.760 176.094 -0.133 0.000 1.025 73 V CA -0.764 61.473 62.300 -0.104 0.000 0.859 73 V CB 1.465 33.268 31.823 -0.034 0.000 0.988 73 V HN 0.724 nan 8.190 nan 0.000 0.431 74 K N 3.600 123.953 120.400 -0.078 0.000 2.259 74 K HA 0.456 4.782 4.320 0.011 0.000 0.249 74 K C -0.687 175.863 176.600 -0.082 0.000 0.942 74 K CA -0.734 55.443 56.287 -0.184 0.000 0.816 74 K CB 1.615 33.859 32.500 -0.426 0.000 1.155 74 K HN 0.711 nan 8.250 nan 0.000 0.428 75 N N 4.034 122.656 118.700 -0.129 0.000 2.511 75 N HA 0.105 4.852 4.740 0.011 0.000 0.249 75 N C -0.383 175.112 175.510 -0.025 0.000 0.971 75 N CA -0.400 52.681 53.050 0.050 0.000 0.938 75 N CB 0.432 38.961 38.487 0.069 0.000 1.131 75 N HN 0.666 nan 8.380 nan 0.000 0.505 76 W N 2.058 123.438 121.300 0.133 0.000 2.721 76 W HA 0.070 4.737 4.660 0.010 0.000 0.245 76 W C 2.001 178.584 176.519 0.106 0.000 1.276 76 W CA -0.014 57.405 57.345 0.124 0.000 1.342 76 W CB 0.199 29.752 29.460 0.155 0.000 1.135 76 W HN 0.649 nan 8.180 nan 0.000 0.654 77 E N 0.524 120.876 120.200 0.253 0.000 2.030 77 E HA -0.112 4.245 4.350 0.011 0.000 0.189 77 E C 1.700 178.327 176.600 0.044 0.000 0.974 77 E CA 1.041 57.488 56.400 0.079 0.000 0.807 77 E CB -0.294 29.415 29.700 0.015 0.000 0.771 77 E HN 0.231 nan 8.360 nan 0.000 0.451 78 L N -0.566 120.679 121.223 0.038 0.000 2.567 78 L HA 0.316 4.662 4.340 0.011 0.000 0.225 78 L C 1.503 178.353 176.870 -0.033 0.000 1.119 78 L CA 0.381 55.224 54.840 0.004 0.000 0.871 78 L CB 0.416 42.481 42.059 0.010 0.000 1.036 78 L HN 0.434 nan 8.230 nan 0.000 0.459 79 G N 0.471 109.228 108.800 -0.073 0.000 2.168 79 G HA2 -0.333 3.634 3.960 0.011 0.000 0.263 79 G HA3 -0.333 3.634 3.960 0.011 0.000 0.263 79 G C 0.441 175.246 174.900 -0.159 0.000 0.977 79 G CA 0.516 45.525 45.100 -0.152 0.000 0.659 79 G HN 0.499 nan 8.290 nan 0.000 0.533 80 S N -0.122 115.509 115.700 -0.115 0.000 2.603 80 S HA 0.782 5.259 4.470 0.011 0.000 0.268 80 S C 0.152 174.669 174.600 -0.139 0.000 1.317 80 S CA -0.616 57.525 58.200 -0.099 0.000 1.012 80 S CB 2.023 65.190 63.200 -0.055 0.000 0.926 80 S HN 0.431 nan 8.310 nan 0.000 0.539 81 I N 1.578 122.074 120.570 -0.123 0.000 2.785 81 I HA 0.645 4.821 4.170 0.011 0.000 0.302 81 I C 0.165 176.190 176.117 -0.153 0.000 1.069 81 I CA -0.248 60.947 61.300 -0.174 0.000 1.045 81 I CB 1.741 39.633 38.000 -0.181 0.000 1.236 81 I HN 1.090 nan 8.210 nan 0.000 0.429 82 T N 1.033 115.434 114.554 -0.253 0.000 2.821 82 T HA 0.669 5.025 4.350 0.011 0.000 0.306 82 T C -1.506 172.971 174.700 -0.372 0.000 1.313 82 T CA -0.737 61.259 62.100 -0.174 0.000 1.012 82 T CB 1.779 70.603 68.868 -0.072 0.000 1.298 82 T HN 0.246 nan 8.240 nan 0.000 0.502 83 Y N 0.367 120.651 120.300 -0.027 0.000 2.331 83 Y HA 0.483 5.039 4.550 0.010 0.000 0.334 83 Y C -0.091 175.772 175.900 -0.061 0.000 0.960 83 Y CA -1.010 57.080 58.100 -0.016 0.000 1.130 83 Y CB 1.622 40.070 38.460 -0.020 0.000 1.164 83 Y HN 0.727 nan 8.280 nan 0.000 0.458 84 D N 2.230 122.690 120.400 0.099 0.000 2.365 84 D HA 0.060 4.706 4.640 0.011 0.000 0.237 84 D C 0.822 177.112 176.300 -0.017 0.000 1.190 84 D CA 0.204 54.232 54.000 0.047 0.000 0.867 84 D CB 1.190 42.055 40.800 0.108 0.000 1.050 84 D HN 0.784 nan 8.370 nan 0.000 0.491 85 T N 1.060 115.494 114.554 -0.201 0.000 3.022 85 T HA -0.044 4.313 4.350 0.011 0.000 0.250 85 T C 1.799 176.404 174.700 -0.158 0.000 1.060 85 T CA -0.233 61.622 62.100 -0.409 0.000 1.013 85 T CB 0.051 68.455 68.868 -0.773 0.000 0.982 85 T HN 0.260 nan 8.240 nan 0.000 0.508 86 L N 2.273 123.426 121.223 -0.118 0.000 2.201 86 L HA 0.117 4.464 4.340 0.011 0.000 0.212 86 L C 2.526 179.246 176.870 -0.250 0.000 1.105 86 L CA 1.180 55.971 54.840 -0.082 0.000 0.775 86 L CB -0.871 41.213 42.059 0.042 0.000 0.913 86 L HN 0.649 nan 8.230 nan 0.000 0.440 87 C N -1.546 117.411 119.300 -0.572 0.000 2.449 87 C HA 0.178 4.645 4.460 0.011 0.000 0.283 87 C C 2.705 177.446 174.990 -0.414 0.000 1.453 87 C CA 0.089 58.429 59.018 -1.129 0.000 1.779 87 C CB -2.199 24.887 27.740 -1.091 0.000 1.779 87 C HN 0.570 nan 8.230 nan 0.000 0.546 88 A N 0.014 122.747 122.820 -0.146 0.000 2.066 88 A HA -0.035 4.292 4.320 0.011 0.000 0.218 88 A C 2.241 179.812 177.584 -0.021 0.000 1.157 88 A CA 1.144 53.174 52.037 -0.012 0.000 0.670 88 A CB -0.394 18.694 19.000 0.146 0.000 0.804 88 A HN 0.623 nan 8.150 nan 0.000 0.453 89 Q N 0.175 119.952 119.800 -0.038 0.000 2.451 89 Q HA 0.067 4.414 4.340 0.011 0.000 0.206 89 Q C 0.818 176.832 176.000 0.023 0.000 0.947 89 Q CA 0.375 56.182 55.803 0.006 0.000 0.937 89 Q CB -0.410 28.343 28.738 0.023 0.000 1.025 89 Q HN 0.516 nan 8.270 nan 0.000 0.511 90 S N 1.206 116.904 115.700 -0.004 0.000 2.525 90 S HA 0.024 4.500 4.470 0.011 0.000 0.285 90 S C 0.187 174.813 174.600 0.043 0.000 1.283 90 S CA 0.071 58.303 58.200 0.054 0.000 1.072 90 S CB 0.267 63.502 63.200 0.059 0.000 0.867 90 S HN 0.198 nan 8.310 nan 0.000 0.492 91 Q N 2.949 122.782 119.800 0.056 0.000 2.462 91 Q HA 0.324 4.670 4.340 0.011 0.000 0.395 91 Q C -0.990 175.036 176.000 0.043 0.000 0.911 91 Q CA -0.286 55.544 55.803 0.044 0.000 1.112 91 Q CB 0.873 29.640 28.738 0.048 0.000 1.350 91 Q HN 0.660 nan 8.270 nan 0.000 0.407 92 Q N 0.999 120.826 119.800 0.046 0.000 2.443 92 Q HA 0.121 4.467 4.340 0.011 0.000 0.241 92 Q C -1.789 174.238 176.000 0.045 0.000 0.880 92 Q CA -0.214 55.613 55.803 0.040 0.000 0.974 92 Q CB 1.010 29.771 28.738 0.037 0.000 1.482 92 Q HN 0.103 nan 8.270 nan 0.000 0.448 93 D N 2.142 122.564 120.400 0.036 0.000 2.382 93 D HA 0.397 5.043 4.640 0.011 0.000 0.240 93 D C 0.471 176.795 176.300 0.041 0.000 1.146 93 D CA 0.765 54.788 54.000 0.038 0.000 0.897 93 D CB 1.029 41.846 40.800 0.028 0.000 1.197 93 D HN 0.637 nan 8.370 nan 0.000 0.432 94 G N 0.355 109.183 108.800 0.047 0.000 2.702 94 G HA2 0.345 4.311 3.960 0.011 0.000 0.254 94 G HA3 0.345 4.311 3.960 0.011 0.000 0.254 94 G C -1.680 173.243 174.900 0.039 0.000 1.380 94 G CA -0.642 44.485 45.100 0.045 0.000 1.042 94 G HN 0.280 nan 8.290 nan 0.000 0.557 95 P HA 0.121 nan 4.420 nan 0.000 0.230 95 P C 0.545 177.866 177.300 0.034 0.000 1.168 95 P CA 0.096 63.217 63.100 0.036 0.000 0.793 95 P CB 0.148 31.872 31.700 0.040 0.000 0.851 96 C N 0.795 120.117 119.300 0.037 0.000 2.563 96 C HA 0.560 5.026 4.460 0.011 0.000 0.358 96 C C 1.103 176.109 174.990 0.027 0.000 1.336 96 C CA 0.285 59.323 59.018 0.033 0.000 2.454 96 C CB 0.496 28.258 27.740 0.038 0.000 2.448 96 C HN 0.387 nan 8.230 nan 0.000 0.670 97 T N -2.455 112.112 114.554 0.022 0.000 2.821 97 T HA 0.376 4.732 4.350 0.011 0.000 0.306 97 T C -2.621 172.087 174.700 0.014 0.000 1.313 97 T CA -0.934 61.176 62.100 0.017 0.000 1.012 97 T CB 1.224 70.101 68.868 0.014 0.000 1.298 97 T HN 0.260 nan 8.240 nan 0.000 0.502 98 P HA 0.057 nan 4.420 nan 0.000 0.222 98 P C 1.444 178.747 177.300 0.006 0.000 1.147 98 P CA 0.568 63.672 63.100 0.007 0.000 0.790 98 P CB 0.145 31.848 31.700 0.005 0.000 0.780 99 R N -0.199 120.305 120.500 0.007 0.000 2.093 99 R HA -0.022 4.324 4.340 0.011 0.000 0.224 99 R C 0.609 176.912 176.300 0.006 0.000 1.101 99 R CA 0.850 56.953 56.100 0.006 0.000 0.979 99 R CB 0.220 30.523 30.300 0.006 0.000 0.877 99 R HN 0.057 nan 8.270 nan 0.000 0.441 100 R N -0.182 120.323 120.500 0.009 0.000 2.629 100 R HA 0.153 4.499 4.340 0.011 0.000 0.266 100 R C -1.785 174.524 176.300 0.014 0.000 1.051 100 R CA -0.725 55.381 56.100 0.009 0.000 0.895 100 R CB 0.194 30.500 30.300 0.010 0.000 1.246 100 R HN 0.098 nan 8.270 nan 0.000 0.459 101 C N 4.032 123.340 119.300 0.013 0.000 2.307 101 C HA 0.566 5.032 4.460 0.011 0.000 0.340 101 C C 0.737 175.742 174.990 0.026 0.000 1.275 101 C CA -0.683 58.347 59.018 0.019 0.000 1.811 101 C CB -0.743 27.005 27.740 0.013 0.000 2.372 101 C HN 0.779 nan 8.230 nan 0.000 0.531 102 L N 5.857 127.101 121.223 0.035 0.000 3.017 102 L HA 0.283 4.630 4.340 0.011 0.000 0.255 102 L C 2.033 178.938 176.870 0.058 0.000 1.247 102 L CA 0.218 55.084 54.840 0.043 0.000 1.038 102 L CB -0.128 41.955 42.059 0.040 0.000 1.380 102 L HN 1.055 nan 8.230 nan 0.000 0.548 103 G N 0.394 109.230 108.800 0.061 0.000 2.462 103 G HA2 -0.274 3.692 3.960 0.011 0.000 0.220 103 G HA3 -0.274 3.692 3.960 0.011 0.000 0.220 103 G C 1.567 176.538 174.900 0.120 0.000 1.121 103 G CA 1.186 46.336 45.100 0.083 0.000 0.758 103 G HN 0.525 nan 8.290 nan 0.000 0.559 104 S N -0.597 115.170 115.700 0.112 0.000 2.593 104 S HA 0.324 4.800 4.470 0.011 0.000 0.217 104 S C 0.607 175.299 174.600 0.153 0.000 0.966 104 S CA -0.437 57.850 58.200 0.144 0.000 0.914 104 S CB 0.011 63.275 63.200 0.108 0.000 0.776 104 S HN -0.012 nan 8.310 nan 0.000 0.523 105 L N 2.101 123.398 121.223 0.124 0.000 2.380 105 L HA 0.272 4.618 4.340 0.011 0.000 0.273 105 L C 1.385 178.350 176.870 0.157 0.000 1.138 105 L CA 0.123 55.033 54.840 0.116 0.000 0.832 105 L CB 0.818 42.924 42.059 0.078 0.000 1.124 105 L HN -0.014 nan 8.230 nan 0.000 0.454 106 V N 3.594 123.610 119.914 0.171 0.000 2.346 106 V HA -0.095 4.032 4.120 0.011 0.000 0.244 106 V C 1.035 177.204 176.094 0.127 0.000 1.037 106 V CA 1.248 63.679 62.300 0.218 0.000 1.029 106 V CB -0.263 31.689 31.823 0.215 0.000 0.663 106 V HN 0.547 nan 8.190 nan 0.000 0.454 107 L N 2.635 123.890 121.223 0.053 0.000 2.784 107 L HA 0.344 4.690 4.340 0.011 0.000 0.241 107 L C -2.276 174.624 176.870 0.049 0.000 1.352 107 L CA -1.240 53.611 54.840 0.020 0.000 0.911 107 L CB 0.566 42.568 42.059 -0.094 0.000 1.227 107 L HN 0.238 nan 8.230 nan 0.000 0.501 108 P HA 0.012 nan 4.420 nan 0.000 0.267 108 P C -0.125 177.205 177.300 0.050 0.000 1.205 108 P CA -0.404 62.728 63.100 0.054 0.000 0.765 108 P CB 0.825 32.559 31.700 0.056 0.000 0.828 109 R N 3.562 124.082 120.500 0.034 0.000 4.045 109 R HA 0.044 4.391 4.340 0.011 0.000 0.174 109 R C 0.820 177.137 176.300 0.029 0.000 1.805 109 R CA 0.313 56.430 56.100 0.028 0.000 1.368 109 R CB -0.359 29.951 30.300 0.016 0.000 1.362 109 R HN 0.472 nan 8.270 nan 0.000 0.777 110 K N -0.010 120.412 120.400 0.037 0.000 2.644 110 K HA 0.134 4.460 4.320 0.011 0.000 0.231 110 K C 1.778 178.395 176.600 0.029 0.000 1.493 110 K CA 0.002 56.307 56.287 0.031 0.000 0.836 110 K CB -0.571 31.948 32.500 0.032 0.000 1.853 110 K HN 0.041 nan 8.250 nan 0.000 0.390 111 L N 2.460 123.702 121.223 0.032 0.000 2.127 111 L HA -0.075 4.272 4.340 0.011 0.000 0.211 111 L C 1.081 177.969 176.870 0.030 0.000 1.089 111 L CA 0.921 55.774 54.840 0.020 0.000 0.757 111 L CB -1.089 40.970 42.059 -0.001 0.000 0.899 111 L HN 0.283 nan 8.230 nan 0.000 0.434 112 Q N 1.659 121.490 119.800 0.052 0.000 3.508 112 Q HA -0.153 4.194 4.340 0.011 0.000 0.355 112 Q C 0.112 176.124 176.000 0.020 0.000 1.185 112 Q CA 0.473 56.305 55.803 0.047 0.000 1.251 112 Q CB -0.634 28.124 28.738 0.033 0.000 1.052 112 Q HN 0.478 nan 8.270 nan 0.000 0.452 113 T N 1.894 116.459 114.554 0.018 0.000 3.859 113 T HA 0.215 4.572 4.350 0.011 0.000 0.251 113 T C 0.271 174.965 174.700 -0.010 0.000 1.079 113 T CA -0.756 61.345 62.100 0.001 0.000 1.151 113 T CB -0.047 68.821 68.868 -0.000 0.000 1.173 113 T HN 0.374 nan 8.240 nan 0.000 0.885 114 R N 2.925 123.417 120.500 -0.014 0.000 2.697 114 R HA 0.165 4.512 4.340 0.011 0.000 0.265 114 R C -2.359 173.924 176.300 -0.028 0.000 1.009 114 R CA -1.720 54.365 56.100 -0.025 0.000 1.099 114 R CB -0.446 29.842 30.300 -0.020 0.000 0.965 114 R HN 0.283 nan 8.270 nan 0.000 0.428 115 P HA 0.011 nan 4.420 nan 0.000 0.254 115 P C -0.995 176.290 177.300 -0.025 0.000 1.467 115 P CA 0.308 63.388 63.100 -0.035 0.000 1.281 115 P CB -0.053 31.621 31.700 -0.043 0.000 1.754 116 S N 3.103 118.789 115.700 -0.022 0.000 2.498 116 S HA 0.190 4.667 4.470 0.011 0.000 0.314 116 S C -1.321 173.268 174.600 -0.017 0.000 1.141 116 S CA -0.841 57.348 58.200 -0.018 0.000 1.087 116 S CB 0.207 63.396 63.200 -0.017 0.000 1.178 116 S HN 0.208 nan 8.310 nan 0.000 0.533 117 P HA 0.057 nan 4.420 nan 0.000 0.211 117 P C 0.966 178.261 177.300 -0.008 0.000 1.179 117 P CA 0.937 64.031 63.100 -0.010 0.000 0.910 117 P CB -0.481 31.216 31.700 -0.006 0.000 0.785 118 G N 1.042 109.839 108.800 -0.006 0.000 2.398 118 G HA2 0.280 4.246 3.960 0.011 0.000 0.246 118 G HA3 0.280 4.246 3.960 0.011 0.000 0.246 118 G C -2.357 172.540 174.900 -0.006 0.000 1.289 118 G CA -0.602 44.496 45.100 -0.003 0.000 0.869 118 G HN 0.092 nan 8.290 nan 0.000 0.543 119 P HA 0.056 nan 4.420 nan 0.000 0.264 119 P C -1.903 175.395 177.300 -0.003 0.000 1.179 119 P CA -0.460 62.636 63.100 -0.006 0.000 0.763 119 P CB 0.081 31.781 31.700 0.001 0.000 0.806 120 P HA 0.110 nan 4.420 nan 0.000 0.268 120 P C -2.456 174.850 177.300 0.011 0.000 1.205 120 P CA -1.271 61.829 63.100 -0.000 0.000 0.771 120 P CB -0.573 31.124 31.700 -0.005 0.000 0.858 121 P HA -0.081 nan 4.420 nan 0.000 0.250 121 P C 1.141 178.455 177.300 0.023 0.000 1.161 121 P CA 0.536 63.646 63.100 0.016 0.000 0.863 121 P CB -0.311 31.398 31.700 0.015 0.000 0.827 122 A N 4.294 127.129 122.820 0.025 0.000 1.944 122 A HA -0.346 3.980 4.320 0.011 0.000 0.222 122 A C 2.176 179.779 177.584 0.033 0.000 1.237 122 A CA 2.284 54.340 52.037 0.033 0.000 0.668 122 A CB -1.154 17.864 19.000 0.029 0.000 0.830 122 A HN 0.529 nan 8.150 nan 0.000 0.471 123 E N -1.184 119.031 120.200 0.025 0.000 2.085 123 E HA -0.289 4.068 4.350 0.011 0.000 0.194 123 E C 2.304 178.921 176.600 0.028 0.000 0.994 123 E CA 1.578 57.992 56.400 0.023 0.000 0.801 123 E CB -0.144 29.567 29.700 0.017 0.000 0.743 123 E HN 0.818 nan 8.360 nan 0.000 0.453 124 Q N 0.047 119.865 119.800 0.029 0.000 2.016 124 Q HA -0.179 4.167 4.340 0.011 0.000 0.200 124 Q C 2.376 178.405 176.000 0.049 0.000 0.978 124 Q CA 1.251 57.075 55.803 0.034 0.000 0.833 124 Q CB -0.145 28.609 28.738 0.027 0.000 0.895 124 Q HN 0.299 nan 8.270 nan 0.000 0.427 125 L N 0.781 122.037 121.223 0.055 0.000 2.079 125 L HA -0.195 4.151 4.340 0.011 0.000 0.210 125 L C 2.063 179.000 176.870 0.112 0.000 1.081 125 L CA 1.476 56.368 54.840 0.086 0.000 0.752 125 L CB -0.764 41.349 42.059 0.089 0.000 0.896 125 L HN 0.343 nan 8.230 nan 0.000 0.433 126 L N -0.501 120.767 121.223 0.075 0.000 1.994 126 L HA -0.188 4.159 4.340 0.011 0.000 0.208 126 L C 2.782 179.680 176.870 0.047 0.000 1.071 126 L CA 2.241 57.109 54.840 0.047 0.000 0.745 126 L CB -1.247 40.826 42.059 0.025 0.000 0.892 126 L HN 0.664 nan 8.230 nan 0.000 0.431 127 S N -1.250 114.480 115.700 0.049 0.000 2.382 127 S HA -0.251 4.226 4.470 0.011 0.000 0.228 127 S C 1.784 176.433 174.600 0.080 0.000 1.027 127 S CA 1.040 59.271 58.200 0.052 0.000 0.991 127 S CB -0.470 62.756 63.200 0.043 0.000 0.823 127 S HN 0.521 nan 8.310 nan 0.000 0.469 128 Q N 0.844 120.702 119.800 0.096 0.000 2.167 128 Q HA 0.088 4.434 4.340 0.011 0.000 0.202 128 Q C 2.543 178.658 176.000 0.192 0.000 0.970 128 Q CA 1.230 57.109 55.803 0.127 0.000 0.855 128 Q CB -0.417 28.386 28.738 0.109 0.000 0.911 128 Q HN 0.792 nan 8.270 nan 0.000 0.438 129 A N 1.103 124.034 122.820 0.184 0.000 1.897 129 A HA -0.129 4.198 4.320 0.011 0.000 0.215 129 A C 1.938 179.603 177.584 0.134 0.000 1.181 129 A CA 0.871 53.024 52.037 0.193 0.000 0.620 129 A CB -0.246 18.734 19.000 -0.034 0.000 0.821 129 A HN 0.187 nan 8.150 nan 0.000 0.443 130 R N -0.463 120.081 120.500 0.072 0.000 2.148 130 R HA -0.127 4.219 4.340 0.011 0.000 0.227 130 R C 1.770 178.139 176.300 0.114 0.000 1.103 130 R CA 1.448 57.588 56.100 0.066 0.000 0.983 130 R CB -0.343 29.977 30.300 0.034 0.000 0.874 130 R HN 0.699 nan 8.270 nan 0.000 0.451 131 D N 0.225 120.708 120.400 0.139 0.000 2.103 131 D HA -0.174 4.472 4.640 0.011 0.000 0.199 131 D C 1.596 178.014 176.300 0.198 0.000 0.978 131 D CA 0.742 54.832 54.000 0.150 0.000 0.829 131 D CB -0.015 40.871 40.800 0.145 0.000 0.981 131 D HN 0.105 nan 8.370 nan 0.000 0.464 132 F N 1.032 121.067 119.950 0.142 0.000 2.102 132 F HA -0.105 4.427 4.527 0.010 0.000 0.298 132 F C 1.900 177.824 175.800 0.207 0.000 1.105 132 F CA 1.061 59.176 58.000 0.192 0.000 1.239 132 F CB -0.338 38.787 39.000 0.207 0.000 0.991 132 F HN -0.024 nan 8.300 nan 0.000 0.474 133 I N 1.166 121.694 120.570 -0.070 0.000 2.118 133 I HA -0.359 3.818 4.170 0.011 0.000 0.241 133 I C 2.162 178.224 176.117 -0.092 0.000 1.070 133 I CA 1.465 62.703 61.300 -0.105 0.000 1.327 133 I CB -1.716 36.336 38.000 0.087 0.000 1.034 133 I HN 0.244 nan 8.210 nan 0.000 0.405 134 N N 0.942 119.649 118.700 0.013 0.000 2.094 134 N HA -0.232 4.515 4.740 0.011 0.000 0.191 134 N C 1.836 177.284 175.510 -0.102 0.000 1.023 134 N CA 1.319 54.376 53.050 0.011 0.000 0.857 134 N CB -0.420 38.147 38.487 0.133 0.000 1.013 134 N HN 0.535 nan 8.380 nan 0.000 0.426 135 Q N -0.626 119.123 119.800 -0.085 0.000 2.096 135 Q HA -0.191 4.155 4.340 0.011 0.000 0.204 135 Q C 1.842 177.614 176.000 -0.380 0.000 0.982 135 Q CA 1.334 57.095 55.803 -0.071 0.000 0.850 135 Q CB -0.257 28.573 28.738 0.152 0.000 0.901 135 Q HN 0.481 nan 8.270 nan 0.000 0.422 136 Y N -0.089 119.737 120.300 -0.790 0.000 2.145 136 Y HA -0.278 4.277 4.550 0.009 0.000 0.286 136 Y C 1.677 177.035 175.900 -0.904 0.000 1.145 136 Y CA 1.542 58.906 58.100 -1.226 0.000 1.148 136 Y CB -0.434 37.383 38.460 -1.072 0.000 0.981 136 Y HN 0.076 nan 8.280 nan 0.000 0.507 137 Y N -0.345 119.517 120.300 -0.729 0.000 2.352 137 Y HA -0.180 4.377 4.550 0.012 0.000 0.292 137 Y C 2.739 178.335 175.900 -0.507 0.000 1.136 137 Y CA 1.629 59.314 58.100 -0.691 0.000 1.227 137 Y CB -0.481 37.503 38.460 -0.793 0.000 0.991 137 Y HN 0.097 nan 8.280 nan 0.000 0.545 138 S N -0.828 114.685 115.700 -0.311 0.000 2.387 138 S HA -0.189 4.287 4.470 0.011 0.000 0.226 138 S C 2.265 176.717 174.600 -0.247 0.000 1.026 138 S CA 1.218 59.303 58.200 -0.192 0.000 0.972 138 S CB -0.559 62.578 63.200 -0.105 0.000 0.814 138 S HN 0.617 nan 8.310 nan 0.000 0.477 139 S N 2.457 117.922 115.700 -0.392 0.000 2.419 139 S HA -0.072 4.405 4.470 0.011 0.000 0.233 139 S C 1.612 176.000 174.600 -0.354 0.000 1.016 139 S CA 1.124 59.131 58.200 -0.321 0.000 0.974 139 S CB -0.764 62.160 63.200 -0.462 0.000 0.786 139 S HN 0.712 nan 8.310 nan 0.000 0.492 140 I N -3.171 117.080 120.570 -0.532 0.000 3.928 140 I HA 0.397 4.573 4.170 0.011 0.000 0.335 140 I C -0.318 175.645 176.117 -0.258 0.000 1.325 140 I CA -0.526 60.514 61.300 -0.433 0.000 1.107 140 I CB -0.088 37.524 38.000 -0.647 0.000 1.014 140 I HN -0.118 nan 8.210 nan 0.000 0.400 141 K N 2.334 122.613 120.400 -0.201 0.000 3.150 141 K HA -0.153 4.173 4.320 0.011 0.000 0.267 141 K C -0.017 176.543 176.600 -0.066 0.000 1.028 141 K CA 0.436 56.659 56.287 -0.107 0.000 0.753 141 K CB -1.538 30.913 32.500 -0.080 0.000 1.288 141 K HN 0.586 nan 8.250 nan 0.000 0.473 142 R N -0.886 119.588 120.500 -0.044 0.000 2.569 142 R HA 0.072 4.419 4.340 0.011 0.000 0.422 142 R C 0.172 176.557 176.300 0.143 0.000 0.980 142 R CA -0.249 55.885 56.100 0.057 0.000 1.164 142 R CB 0.853 31.218 30.300 0.109 0.000 1.520 142 R HN 0.197 nan 8.270 nan 0.000 0.567 143 S N -0.046 115.720 115.700 0.110 0.000 2.563 143 S HA 0.230 4.707 4.470 0.011 0.000 0.294 143 S C 1.382 176.099 174.600 0.194 0.000 1.279 143 S CA 1.656 59.995 58.200 0.231 0.000 1.069 143 S CB 0.324 63.594 63.200 0.117 0.000 0.828 143 S HN 0.713 nan 8.310 nan 0.000 0.497 144 G N 3.018 111.946 108.800 0.213 0.000 2.205 144 G HA2 -0.298 3.669 3.960 0.011 0.000 0.261 144 G HA3 -0.298 3.669 3.960 0.011 0.000 0.261 144 G C 0.326 175.190 174.900 -0.060 0.000 0.980 144 G CA 0.604 45.672 45.100 -0.054 0.000 0.632 144 G HN 1.644 nan 8.290 nan 0.000 0.533 145 S N -0.786 114.920 115.700 0.011 0.000 2.626 145 S HA 0.463 4.940 4.470 0.011 0.000 0.257 145 S C 1.279 175.847 174.600 -0.053 0.000 1.288 145 S CA 0.744 58.941 58.200 -0.004 0.000 0.980 145 S CB 1.357 64.586 63.200 0.048 0.000 0.975 145 S HN 0.504 nan 8.310 nan 0.000 0.577 146 Q N 0.143 119.923 119.800 -0.034 0.000 2.172 146 Q HA -0.014 4.332 4.340 0.011 0.000 0.200 146 Q C 2.224 178.195 176.000 -0.050 0.000 0.964 146 Q CA 1.200 56.975 55.803 -0.048 0.000 0.855 146 Q CB -0.702 28.021 28.738 -0.024 0.000 0.918 146 Q HN 0.906 nan 8.270 nan 0.000 0.444 147 A N 0.045 122.859 122.820 -0.010 0.000 1.902 147 A HA -0.257 4.070 4.320 0.011 0.000 0.217 147 A C 1.831 179.311 177.584 -0.173 0.000 1.181 147 A CA 1.763 53.813 52.037 0.022 0.000 0.623 147 A CB -1.063 18.046 19.000 0.183 0.000 0.818 147 A HN 0.699 nan 8.150 nan 0.000 0.443 148 H N -0.731 117.971 119.070 -0.613 0.000 2.267 148 H HA -0.141 4.421 4.556 0.011 0.000 0.297 148 H C 2.017 177.015 175.328 -0.550 0.000 1.080 148 H CA 1.369 56.708 56.048 -1.182 0.000 1.278 148 H CB 0.080 29.309 29.762 -0.889 0.000 1.365 148 H HN 0.405 nan 8.280 nan 0.000 0.489 149 E N 0.589 120.612 120.200 -0.296 0.000 2.110 149 E HA -0.167 4.189 4.350 0.011 0.000 0.193 149 E C 2.120 178.636 176.600 -0.141 0.000 0.988 149 E CA 1.129 57.376 56.400 -0.255 0.000 0.804 149 E CB -0.117 29.456 29.700 -0.211 0.000 0.745 149 E HN 0.702 nan 8.360 nan 0.000 0.458 150 E N 0.337 120.475 120.200 -0.104 0.000 2.072 150 E HA -0.170 4.186 4.350 0.011 0.000 0.191 150 E C 2.169 178.750 176.600 -0.031 0.000 0.985 150 E CA 0.759 57.128 56.400 -0.052 0.000 0.801 150 E CB -0.071 29.615 29.700 -0.024 0.000 0.750 150 E HN -0.074 nan 8.360 nan 0.000 0.452 151 R N 1.331 121.811 120.500 -0.033 0.000 2.120 151 R HA -0.086 4.261 4.340 0.011 0.000 0.234 151 R C 1.983 178.283 176.300 -0.001 0.000 1.123 151 R CA 1.098 57.212 56.100 0.024 0.000 0.975 151 R CB -0.525 29.835 30.300 0.100 0.000 0.866 151 R HN 0.170 nan 8.270 nan 0.000 0.446 152 L N 0.067 121.272 121.223 -0.031 0.000 1.994 152 L HA -0.201 4.146 4.340 0.011 0.000 0.208 152 L C 2.401 179.240 176.870 -0.053 0.000 1.071 152 L CA 1.358 56.174 54.840 -0.041 0.000 0.745 152 L CB -0.543 41.470 42.059 -0.076 0.000 0.892 152 L HN 0.243 nan 8.230 nan 0.000 0.431 153 Q N -0.217 119.552 119.800 -0.052 0.000 2.181 153 Q HA -0.281 4.066 4.340 0.011 0.000 0.205 153 Q C 1.966 177.951 176.000 -0.025 0.000 0.980 153 Q CA 1.565 57.345 55.803 -0.039 0.000 0.862 153 Q CB -0.313 28.403 28.738 -0.037 0.000 0.905 153 Q HN 0.573 nan 8.270 nan 0.000 0.429 154 E N 0.159 120.350 120.200 -0.016 0.000 2.072 154 E HA -0.127 4.230 4.350 0.011 0.000 0.191 154 E C 2.002 178.599 176.600 -0.006 0.000 0.985 154 E CA 0.986 57.389 56.400 0.004 0.000 0.801 154 E CB 0.293 30.009 29.700 0.026 0.000 0.750 154 E HN 0.116 nan 8.360 nan 0.000 0.452 155 V N 1.138 121.017 119.914 -0.058 0.000 2.323 155 V HA -0.213 3.913 4.120 0.011 0.000 0.244 155 V C 2.048 178.076 176.094 -0.109 0.000 1.041 155 V CA 1.999 64.203 62.300 -0.159 0.000 1.025 155 V CB -0.473 31.131 31.823 -0.365 0.000 0.656 155 V HN 0.263 nan 8.190 nan 0.000 0.451 156 E N 0.342 120.496 120.200 -0.078 0.000 2.085 156 E HA -0.219 4.138 4.350 0.011 0.000 0.194 156 E C 2.316 178.911 176.600 -0.008 0.000 0.994 156 E CA 1.395 57.771 56.400 -0.040 0.000 0.801 156 E CB -0.360 29.319 29.700 -0.035 0.000 0.743 156 E HN 0.602 nan 8.360 nan 0.000 0.453 157 A N 1.442 124.260 122.820 -0.002 0.000 1.851 157 A HA -0.288 4.038 4.320 0.011 0.000 0.216 157 A C 2.094 179.700 177.584 0.036 0.000 1.195 157 A CA 1.842 53.888 52.037 0.015 0.000 0.622 157 A CB -0.623 18.386 19.000 0.015 0.000 0.831 157 A HN 0.301 nan 8.150 nan 0.000 0.444 158 E N -0.409 119.824 120.200 0.054 0.000 2.265 158 E HA -0.111 4.246 4.350 0.011 0.000 0.196 158 E C 1.493 178.160 176.600 0.111 0.000 0.996 158 E CA 1.232 57.690 56.400 0.097 0.000 0.832 158 E CB -0.067 29.723 29.700 0.149 0.000 0.756 158 E HN 0.333 nan 8.360 nan 0.000 0.491 159 V N 0.398 120.365 119.914 0.090 0.000 3.052 159 V HA -0.001 4.125 4.120 0.011 0.000 0.254 159 V C 2.123 178.254 176.094 0.062 0.000 1.100 159 V CA 1.198 63.556 62.300 0.096 0.000 1.112 159 V CB 0.183 32.059 31.823 0.088 0.000 0.738 159 V HN 0.397 nan 8.190 nan 0.000 0.469 160 A N 0.577 123.425 122.820 0.046 0.000 2.067 160 A HA -0.060 4.266 4.320 0.011 0.000 0.217 160 A C 2.270 179.875 177.584 0.036 0.000 1.156 160 A CA 1.561 53.618 52.037 0.034 0.000 0.683 160 A CB -0.208 18.806 19.000 0.023 0.000 0.808 160 A HN 0.635 nan 8.150 nan 0.000 0.455 161 S N -2.150 113.577 115.700 0.045 0.000 2.539 161 S HA 0.070 4.547 4.470 0.011 0.000 0.221 161 S C 1.198 175.829 174.600 0.051 0.000 0.987 161 S CA 0.910 59.136 58.200 0.043 0.000 0.929 161 S CB -0.057 63.167 63.200 0.040 0.000 0.832 161 S HN 0.692 nan 8.310 nan 0.000 0.492 162 T N -4.098 110.493 114.554 0.063 0.000 3.098 162 T HA 0.553 4.909 4.350 0.011 0.000 0.256 162 T C 1.598 176.332 174.700 0.057 0.000 0.921 162 T CA 0.818 62.958 62.100 0.067 0.000 0.916 162 T CB 0.167 69.093 68.868 0.096 0.000 1.246 162 T HN 1.162 nan 8.240 nan 0.000 0.511 163 G N 0.460 109.298 108.800 0.062 0.000 2.232 163 G HA2 -0.148 3.818 3.960 0.011 0.000 0.226 163 G HA3 -0.148 3.818 3.960 0.011 0.000 0.226 163 G C 0.220 175.154 174.900 0.057 0.000 0.996 163 G CA 0.589 45.719 45.100 0.050 0.000 0.626 163 G HN 0.961 nan 8.290 nan 0.000 0.509 164 T N -1.104 113.490 114.554 0.067 0.000 2.604 164 T HA 0.784 5.140 4.350 0.011 0.000 0.267 164 T C -1.072 173.723 174.700 0.159 0.000 0.923 164 T CA 0.529 62.651 62.100 0.036 0.000 1.077 164 T CB 1.479 70.284 68.868 -0.104 0.000 1.392 164 T HN 1.575 nan 8.240 nan 0.000 0.531 165 Y N -1.011 119.231 120.300 -0.097 0.000 2.779 165 Y HA 0.743 5.299 4.550 0.010 0.000 0.340 165 Y C -1.828 173.947 175.900 -0.208 0.000 1.252 165 Y CA -1.228 56.864 58.100 -0.012 0.000 1.072 165 Y CB 0.549 39.036 38.460 0.046 0.000 1.343 165 Y HN 0.753 nan 8.280 nan 0.000 0.450 166 H N 0.896 120.094 119.070 0.213 0.000 2.679 166 H HA 0.709 5.271 4.556 0.010 0.000 0.367 166 H C -0.940 174.529 175.328 0.234 0.000 1.162 166 H CA -0.879 55.225 56.048 0.093 0.000 1.181 166 H CB 1.940 31.751 29.762 0.082 0.000 1.693 166 H HN 0.737 nan 8.280 nan 0.000 0.538 167 L N 2.086 123.458 121.223 0.247 0.000 2.357 167 L HA 0.502 4.848 4.340 0.011 0.000 0.273 167 L C 0.511 177.481 176.870 0.167 0.000 1.080 167 L CA -0.765 54.220 54.840 0.242 0.000 0.803 167 L CB 1.028 43.197 42.059 0.182 0.000 1.174 167 L HN 0.444 nan 8.230 nan 0.000 0.443 168 R N 0.914 121.478 120.500 0.106 0.000 2.560 168 R HA 0.070 4.416 4.340 0.011 0.000 0.270 168 R C 1.008 177.315 176.300 0.012 0.000 1.074 168 R CA -0.509 55.618 56.100 0.045 0.000 1.140 168 R CB 0.987 31.286 30.300 -0.002 0.000 1.073 168 R HN 0.657 nan 8.270 nan 0.000 0.527 169 E N 1.178 121.385 120.200 0.011 0.000 2.055 169 E HA -0.302 4.055 4.350 0.011 0.000 0.209 169 E C 1.565 178.161 176.600 -0.007 0.000 1.036 169 E CA 2.600 59.000 56.400 -0.000 0.000 0.849 169 E CB -0.041 29.661 29.700 0.005 0.000 0.767 169 E HN 0.688 nan 8.360 nan 0.000 0.461 170 S N 0.041 115.738 115.700 -0.006 0.000 2.440 170 S HA -0.186 4.291 4.470 0.011 0.000 0.238 170 S C 1.655 176.263 174.600 0.014 0.000 1.010 170 S CA 1.451 59.672 58.200 0.035 0.000 0.972 170 S CB -0.346 62.905 63.200 0.085 0.000 0.774 170 S HN 0.359 nan 8.310 nan 0.000 0.501 171 E N 0.619 120.718 120.200 -0.168 0.000 2.158 171 E HA 0.032 4.388 4.350 0.011 0.000 0.191 171 E C 1.976 178.718 176.600 0.238 0.000 0.982 171 E CA 0.851 57.164 56.400 -0.145 0.000 0.823 171 E CB -0.261 29.340 29.700 -0.165 0.000 0.766 171 E HN 0.463 nan 8.360 nan 0.000 0.468 172 L N 0.794 122.062 121.223 0.074 0.000 2.027 172 L HA -0.126 4.220 4.340 0.011 0.000 0.206 172 L C 2.219 179.077 176.870 -0.020 0.000 1.074 172 L CA 1.256 56.074 54.840 -0.037 0.000 0.745 172 L CB -0.261 41.723 42.059 -0.125 0.000 0.898 172 L HN -0.085 nan 8.230 nan 0.000 0.433 173 V N -0.231 119.698 119.914 0.025 0.000 2.332 173 V HA -0.326 3.800 4.120 0.011 0.000 0.248 173 V C 2.331 178.503 176.094 0.130 0.000 1.055 173 V CA 2.209 64.532 62.300 0.037 0.000 1.038 173 V CB -0.943 30.907 31.823 0.045 0.000 0.651 173 V HN 0.578 nan 8.190 nan 0.000 0.450 174 F N 2.029 122.055 119.950 0.128 0.000 2.046 174 F HA -0.074 4.458 4.527 0.009 0.000 0.297 174 F C 2.223 178.160 175.800 0.229 0.000 1.123 174 F CA 1.935 60.068 58.000 0.221 0.000 1.199 174 F CB -1.077 38.133 39.000 0.350 0.000 0.972 174 F HN 0.128 nan 8.300 nan 0.000 0.474 175 G N -0.342 108.493 108.800 0.058 0.000 2.422 175 G HA2 -0.194 3.773 3.960 0.011 0.000 0.218 175 G HA3 -0.194 3.773 3.960 0.011 0.000 0.218 175 G C 1.818 176.565 174.900 -0.255 0.000 1.146 175 G CA 0.907 45.923 45.100 -0.140 0.000 0.769 175 G HN 0.689 nan 8.290 nan 0.000 0.547 176 A N 1.064 123.771 122.820 -0.189 0.000 1.883 176 A HA -0.081 4.246 4.320 0.011 0.000 0.217 176 A C 2.315 179.869 177.584 -0.050 0.000 1.186 176 A CA 2.077 54.013 52.037 -0.169 0.000 0.624 176 A CB -0.407 18.523 19.000 -0.117 0.000 0.822 176 A HN 0.389 nan 8.150 nan 0.000 0.444 177 K N -0.962 119.443 120.400 0.008 0.000 2.097 177 K HA -0.126 4.200 4.320 0.011 0.000 0.205 177 K C 2.312 178.954 176.600 0.070 0.000 1.050 177 K CA 1.228 57.621 56.287 0.175 0.000 0.938 177 K CB -0.152 32.501 32.500 0.254 0.000 0.718 177 K HN 0.377 nan 8.250 nan 0.000 0.442 178 Q N 0.369 120.033 119.800 -0.226 0.000 2.084 178 Q HA -0.109 4.238 4.340 0.011 0.000 0.202 178 Q C 2.200 178.067 176.000 -0.221 0.000 0.978 178 Q CA 1.643 57.243 55.803 -0.338 0.000 0.844 178 Q CB -0.354 28.091 28.738 -0.488 0.000 0.898 178 Q HN 0.336 nan 8.270 nan 0.000 0.426 179 A N 0.133 122.812 122.820 -0.234 0.000 1.908 179 A HA -0.192 4.134 4.320 0.011 0.000 0.218 179 A C 1.833 179.453 177.584 0.060 0.000 1.181 179 A CA 1.481 53.330 52.037 -0.315 0.000 0.627 179 A CB -0.950 17.509 19.000 -0.902 0.000 0.818 179 A HN 0.542 nan 8.150 nan 0.000 0.445 180 W N 0.901 122.225 121.300 0.041 0.000 2.378 180 W HA -0.114 4.551 4.660 0.008 0.000 0.313 180 W C 2.363 178.856 176.519 -0.043 0.000 1.197 180 W CA 1.476 58.877 57.345 0.093 0.000 1.304 180 W CB -0.833 28.657 29.460 0.050 0.000 1.148 180 W HN 0.381 nan 8.180 nan 0.000 0.494 181 R N 0.425 120.879 120.500 -0.076 0.000 2.133 181 R HA -0.225 4.121 4.340 0.011 0.000 0.247 181 R C 1.661 177.809 176.300 -0.254 0.000 1.151 181 R CA 2.067 57.904 56.100 -0.438 0.000 0.971 181 R CB -0.628 29.148 30.300 -0.874 0.000 0.866 181 R HN 0.110 nan 8.270 nan 0.000 0.447 182 N N 0.295 118.902 118.700 -0.153 0.000 2.463 182 N HA 0.014 4.761 4.740 0.011 0.000 0.181 182 N C -0.282 175.192 175.510 -0.060 0.000 1.078 182 N CA 0.745 53.727 53.050 -0.114 0.000 0.902 182 N CB 0.246 38.667 38.487 -0.110 0.000 0.970 182 N HN 0.209 nan 8.380 nan 0.000 0.451 183 A N 2.246 125.082 122.820 0.027 0.000 2.507 183 A HA 0.149 4.475 4.320 0.011 0.000 0.281 183 A C -1.233 176.339 177.584 -0.020 0.000 1.154 183 A CA -0.777 51.279 52.037 0.030 0.000 0.828 183 A CB 0.142 19.209 19.000 0.112 0.000 1.069 183 A HN 0.033 nan 8.150 nan 0.000 0.522 184 P HA -0.110 nan 4.420 nan 0.000 0.221 184 P C 1.039 178.283 177.300 -0.093 0.000 1.145 184 P CA 1.166 64.205 63.100 -0.103 0.000 0.795 184 P CB 0.176 31.779 31.700 -0.161 0.000 0.775 185 R N -2.622 117.796 120.500 -0.138 0.000 2.397 185 R HA 0.188 4.534 4.340 0.011 0.000 0.241 185 R C 0.141 176.440 176.300 -0.002 0.000 0.914 185 R CA -0.157 55.876 56.100 -0.112 0.000 1.071 185 R CB -0.160 29.898 30.300 -0.403 0.000 1.116 185 R HN 0.143 nan 8.270 nan 0.000 0.524 186 C N 1.108 120.403 119.300 -0.008 0.000 2.303 186 C HA 0.201 4.667 4.460 0.011 0.000 0.341 186 C C 1.935 176.909 174.990 -0.027 0.000 1.244 186 C CA -0.569 58.471 59.018 0.036 0.000 1.765 186 C CB 0.375 28.201 27.740 0.143 0.000 2.379 186 C HN 0.286 nan 8.230 nan 0.000 0.530 187 V N 6.123 125.970 119.914 -0.110 0.000 3.461 187 V HA 0.188 4.315 4.120 0.011 0.000 0.267 187 V C 1.738 177.874 176.094 0.070 0.000 1.186 187 V CA 2.052 64.201 62.300 -0.252 0.000 1.154 187 V CB -0.221 31.448 31.823 -0.257 0.000 0.802 187 V HN 1.063 nan 8.190 nan 0.000 0.474 188 G N -0.566 108.308 108.800 0.123 0.000 3.448 188 G HA2 0.076 4.042 3.960 0.011 0.000 0.261 188 G HA3 0.076 4.042 3.960 0.011 0.000 0.261 188 G C 1.149 176.134 174.900 0.141 0.000 1.173 188 G CA -0.384 44.814 45.100 0.163 0.000 0.835 188 G HN 0.438 nan 8.290 nan 0.000 0.534 189 R N -0.218 120.266 120.500 -0.026 0.000 2.357 189 R HA 0.146 4.492 4.340 0.011 0.000 0.202 189 R C 1.944 177.838 176.300 -0.678 0.000 1.047 189 R CA 0.083 55.853 56.100 -0.549 0.000 1.034 189 R CB -0.104 29.829 30.300 -0.612 0.000 0.875 189 R HN 0.463 nan 8.270 nan 0.000 0.473 190 I N 0.870 121.244 120.570 -0.326 0.000 2.756 190 I HA -0.222 3.955 4.170 0.011 0.000 0.262 190 I C 1.157 177.222 176.117 -0.087 0.000 1.225 190 I CA 1.223 62.483 61.300 -0.067 0.000 1.472 190 I CB 0.201 38.251 38.000 0.084 0.000 1.094 190 I HN 0.185 nan 8.210 nan 0.000 0.454 191 Q N 0.481 120.158 119.800 -0.205 0.000 2.320 191 Q HA -0.074 4.273 4.340 0.011 0.000 0.201 191 Q C 1.528 177.148 176.000 -0.634 0.000 0.910 191 Q CA 0.153 55.826 55.803 -0.218 0.000 0.946 191 Q CB -0.177 28.609 28.738 0.080 0.000 1.062 191 Q HN 0.782 nan 8.270 nan 0.000 0.503 192 W N 0.343 120.985 121.300 -1.098 0.000 2.331 192 W HA -0.130 4.539 4.660 0.014 0.000 0.291 192 W C 1.093 177.334 176.519 -0.463 0.000 1.214 192 W CA 1.244 57.839 57.345 -1.250 0.000 1.228 192 W CB -1.152 27.725 29.460 -0.971 0.000 1.135 192 W HN 0.074 nan 8.180 nan 0.000 0.537 193 G N 1.124 109.115 108.800 -1.349 0.000 2.572 193 G HA2 -0.181 3.786 3.960 0.011 0.000 0.216 193 G HA3 -0.181 3.786 3.960 0.011 0.000 0.216 193 G C 0.832 175.447 174.900 -0.475 0.000 1.133 193 G CA 0.098 44.487 45.100 -1.185 0.000 0.791 193 G HN 0.255 nan 8.290 nan 0.000 0.538 194 K N 0.219 120.454 120.400 -0.276 0.000 2.423 194 K HA 0.506 4.832 4.320 0.011 0.000 0.234 194 K C -1.642 175.027 176.600 0.116 0.000 1.051 194 K CA -0.683 55.569 56.287 -0.057 0.000 1.021 194 K CB 0.359 32.857 32.500 -0.002 0.000 1.474 194 K HN 0.066 nan 8.250 nan 0.000 0.474 195 L N 2.975 124.254 121.223 0.093 0.000 2.409 195 L HA 0.351 4.698 4.340 0.011 0.000 0.272 195 L C -1.274 175.576 176.870 -0.033 0.000 0.980 195 L CA -0.380 54.542 54.840 0.136 0.000 0.826 195 L CB 1.954 44.165 42.059 0.253 0.000 1.268 195 L HN 0.429 nan 8.230 nan 0.000 0.407 196 Q N 3.615 123.342 119.800 -0.122 0.000 2.406 196 Q HA 0.442 4.788 4.340 0.011 0.000 0.242 196 Q C -1.508 174.117 176.000 -0.625 0.000 1.036 196 Q CA -0.139 55.417 55.803 -0.410 0.000 0.904 196 Q CB 0.789 29.192 28.738 -0.559 0.000 1.244 196 Q HN 0.528 nan 8.270 nan 0.000 0.478 197 V N 6.055 125.676 119.914 -0.488 0.000 2.432 197 V HA 0.323 4.450 4.120 0.011 0.000 0.271 197 V C -0.446 175.345 176.094 -0.506 0.000 1.046 197 V CA -0.293 61.767 62.300 -0.400 0.000 0.945 197 V CB 0.032 31.727 31.823 -0.214 0.000 0.992 197 V HN 0.593 nan 8.190 nan 0.000 0.471 198 F N 2.993 122.790 119.950 -0.255 0.000 2.388 198 F HA 0.380 4.910 4.527 0.006 0.000 0.358 198 F C 0.452 176.064 175.800 -0.313 0.000 1.122 198 F CA -0.995 56.846 58.000 -0.265 0.000 1.056 198 F CB 1.040 39.870 39.000 -0.283 0.000 1.155 198 F HN 0.420 nan 8.300 nan 0.000 0.461 199 D N 2.680 123.035 120.400 -0.075 0.000 2.308 199 D HA 0.509 5.155 4.640 0.011 0.000 0.251 199 D C -0.182 175.946 176.300 -0.288 0.000 1.127 199 D CA 0.130 54.027 54.000 -0.172 0.000 0.876 199 D CB 1.561 42.308 40.800 -0.088 0.000 1.176 199 D HN 0.662 nan 8.370 nan 0.000 0.446 200 A N 4.315 126.871 122.820 -0.440 0.000 2.709 200 A HA 0.154 4.480 4.320 0.011 0.000 0.241 200 A C 1.136 178.555 177.584 -0.275 0.000 0.879 200 A CA -0.401 51.255 52.037 -0.635 0.000 1.120 200 A CB 0.098 18.163 19.000 -1.557 0.000 1.226 200 A HN 0.568 nan 8.150 nan 0.000 0.468 201 R N 0.604 121.027 120.500 -0.128 0.000 2.323 201 R HA -0.042 4.305 4.340 0.011 0.000 0.198 201 R C 0.954 177.261 176.300 0.011 0.000 0.988 201 R CA 1.156 57.238 56.100 -0.030 0.000 1.041 201 R CB 0.110 30.447 30.300 0.062 0.000 0.926 201 R HN 0.691 nan 8.270 nan 0.000 0.476 202 D N -0.526 119.899 120.400 0.041 0.000 2.327 202 D HA -0.082 4.564 4.640 0.011 0.000 0.205 202 D C 0.601 176.990 176.300 0.149 0.000 0.989 202 D CA -0.206 53.854 54.000 0.100 0.000 0.873 202 D CB -0.677 40.195 40.800 0.120 0.000 0.955 202 D HN -0.015 nan 8.370 nan 0.000 0.515 203 C N 2.217 121.630 119.300 0.188 0.000 2.334 203 C HA 0.191 4.657 4.460 0.011 0.000 0.395 203 C C 1.584 176.727 174.990 0.255 0.000 1.507 203 C CA 0.938 60.123 59.018 0.278 0.000 1.494 203 C CB -1.062 26.883 27.740 0.341 0.000 2.509 203 C HN 0.479 nan 8.230 nan 0.000 0.599 204 S N 2.716 118.586 115.700 0.284 0.000 2.846 204 S HA 0.361 4.837 4.470 0.011 0.000 0.249 204 S C -0.130 174.619 174.600 0.249 0.000 1.028 204 S CA 0.226 58.614 58.200 0.313 0.000 1.043 204 S CB -0.159 63.164 63.200 0.205 0.000 0.990 204 S HN 1.424 nan 8.310 nan 0.000 0.564 205 S N -0.284 115.563 115.700 0.245 0.000 2.550 205 S HA 0.773 5.250 4.470 0.011 0.000 0.270 205 S C 0.674 175.358 174.600 0.139 0.000 1.145 205 S CA -0.291 58.002 58.200 0.155 0.000 0.852 205 S CB 1.073 64.346 63.200 0.121 0.000 1.119 205 S HN 0.565 nan 8.310 nan 0.000 0.465 206 A N 0.932 123.818 122.820 0.110 0.000 2.070 206 A HA -0.054 4.272 4.320 0.011 0.000 0.220 206 A C 2.030 179.635 177.584 0.036 0.000 1.159 206 A CA 2.037 54.138 52.037 0.107 0.000 0.656 206 A CB -0.877 18.235 19.000 0.188 0.000 0.800 206 A HN 0.899 nan 8.150 nan 0.000 0.453 207 Q N 0.265 120.149 119.800 0.140 0.000 2.083 207 Q HA -0.112 4.235 4.340 0.011 0.000 0.198 207 Q C 1.859 177.832 176.000 -0.046 0.000 0.969 207 Q CA 2.102 57.948 55.803 0.071 0.000 0.838 207 Q CB -0.380 28.482 28.738 0.207 0.000 0.900 207 Q HN 0.707 nan 8.270 nan 0.000 0.436 208 E N -0.592 119.629 120.200 0.035 0.000 2.106 208 E HA -0.158 4.199 4.350 0.011 0.000 0.192 208 E C 1.884 178.535 176.600 0.085 0.000 0.984 208 E CA 1.144 57.573 56.400 0.047 0.000 0.806 208 E CB -0.081 29.698 29.700 0.131 0.000 0.750 208 E HN 0.454 nan 8.360 nan 0.000 0.458 209 M N -0.354 119.266 119.600 0.033 0.000 2.202 209 M HA -0.157 4.330 4.480 0.011 0.000 0.262 209 M C 1.995 178.282 176.300 -0.023 0.000 1.063 209 M CA 1.259 56.520 55.300 -0.065 0.000 1.097 209 M CB -0.199 32.209 32.600 -0.320 0.000 1.382 209 M HN 0.205 nan 8.290 nan 0.000 0.413 210 F N 0.531 120.238 119.950 -0.406 0.000 2.259 210 F HA -0.156 4.379 4.527 0.013 0.000 0.298 210 F C 2.131 177.796 175.800 -0.225 0.000 1.088 210 F CA 1.330 59.040 58.000 -0.482 0.000 1.358 210 F CB 0.011 38.359 39.000 -1.085 0.000 1.040 210 F HN 0.028 nan 8.300 nan 0.000 0.505 211 T N -0.574 113.820 114.554 -0.267 0.000 2.737 211 T HA -0.197 4.160 4.350 0.011 0.000 0.265 211 T C 1.575 176.109 174.700 -0.277 0.000 1.038 211 T CA 1.658 63.559 62.100 -0.332 0.000 1.144 211 T CB -0.842 67.862 68.868 -0.274 0.000 0.866 211 T HN 0.336 nan 8.240 nan 0.000 0.434 212 Y N 1.253 121.498 120.300 -0.090 0.000 2.097 212 Y HA -0.132 4.423 4.550 0.009 0.000 0.282 212 Y C 2.415 178.264 175.900 -0.085 0.000 1.152 212 Y CA 0.992 59.059 58.100 -0.057 0.000 1.136 212 Y CB -0.447 38.103 38.460 0.149 0.000 0.975 212 Y HN 0.115 nan 8.280 nan 0.000 0.498 213 I N -1.274 119.383 120.570 0.144 0.000 2.151 213 I HA -0.408 3.768 4.170 0.011 0.000 0.243 213 I C 2.423 178.466 176.117 -0.124 0.000 1.080 213 I CA 1.209 62.518 61.300 0.014 0.000 1.339 213 I CB -0.623 37.372 38.000 -0.008 0.000 1.039 213 I HN 0.362 nan 8.210 nan 0.000 0.409 214 C N 0.528 119.649 119.300 -0.298 0.000 2.429 214 C HA -0.139 4.327 4.460 0.011 0.000 0.277 214 C C 2.639 177.527 174.990 -0.170 0.000 1.262 214 C CA 0.973 59.799 59.018 -0.320 0.000 1.733 214 C CB -1.445 25.971 27.740 -0.539 0.000 2.010 214 C HN 0.536 nan 8.230 nan 0.000 0.483 215 N N -0.064 118.533 118.700 -0.171 0.000 2.084 215 N HA -0.148 4.598 4.740 0.011 0.000 0.190 215 N C 1.470 176.915 175.510 -0.110 0.000 1.030 215 N CA 1.643 54.594 53.050 -0.165 0.000 0.849 215 N CB -0.768 37.569 38.487 -0.250 0.000 1.012 215 N HN 0.759 nan 8.380 nan 0.000 0.423 216 H N 0.274 119.207 119.070 -0.228 0.000 2.267 216 H HA -0.022 4.541 4.556 0.012 0.000 0.297 216 H C 2.022 177.374 175.328 0.040 0.000 1.080 216 H CA 1.778 57.752 56.048 -0.124 0.000 1.278 216 H CB -0.153 29.570 29.762 -0.066 0.000 1.365 216 H HN 0.128 nan 8.280 nan 0.000 0.489 217 I N 0.771 121.471 120.570 0.216 0.000 2.248 217 I HA -0.286 3.890 4.170 0.011 0.000 0.248 217 I C 2.431 178.627 176.117 0.132 0.000 1.107 217 I CA 1.370 62.749 61.300 0.132 0.000 1.373 217 I CB -0.290 37.701 38.000 -0.015 0.000 1.055 217 I HN 0.357 nan 8.210 nan 0.000 0.418 218 K N -0.013 120.442 120.400 0.092 0.000 2.025 218 K HA -0.215 4.112 4.320 0.011 0.000 0.207 218 K C 2.248 178.924 176.600 0.126 0.000 1.049 218 K CA 1.664 57.995 56.287 0.074 0.000 0.933 218 K CB -0.362 32.156 32.500 0.030 0.000 0.714 218 K HN 0.257 nan 8.250 nan 0.000 0.438 219 Y N 1.347 121.681 120.300 0.057 0.000 2.163 219 Y HA -0.161 4.392 4.550 0.005 0.000 0.288 219 Y C 2.191 178.174 175.900 0.140 0.000 1.136 219 Y CA 1.392 59.557 58.100 0.108 0.000 1.147 219 Y CB -0.343 38.224 38.460 0.179 0.000 0.987 219 Y HN 0.031 nan 8.280 nan 0.000 0.509 220 A N -0.708 122.341 122.820 0.383 0.000 1.933 220 A HA -0.160 4.166 4.320 0.011 0.000 0.218 220 A C 2.167 179.851 177.584 0.166 0.000 1.175 220 A CA 2.229 54.446 52.037 0.300 0.000 0.628 220 A CB -1.239 18.012 19.000 0.419 0.000 0.814 220 A HN 0.527 nan 8.150 nan 0.000 0.444 221 T N -0.343 114.294 114.554 0.139 0.000 2.812 221 T HA -0.073 4.283 4.350 0.011 0.000 0.264 221 T C 1.106 175.829 174.700 0.039 0.000 1.042 221 T CA 1.023 63.184 62.100 0.100 0.000 1.140 221 T CB -0.400 68.520 68.868 0.085 0.000 0.870 221 T HN 0.645 nan 8.240 nan 0.000 0.445 222 N N 1.378 120.072 118.700 -0.010 0.000 2.708 222 N HA -0.269 4.478 4.740 0.011 0.000 0.251 222 N C -0.349 175.142 175.510 -0.031 0.000 1.017 222 N CA 0.518 53.531 53.050 -0.061 0.000 0.742 222 N CB -1.318 37.087 38.487 -0.136 0.000 0.943 222 N HN 0.480 nan 8.380 nan 0.000 0.539 223 R N -2.416 118.079 120.500 -0.009 0.000 3.525 223 R HA -0.205 4.142 4.340 0.011 0.000 0.276 223 R C 1.263 177.556 176.300 -0.011 0.000 1.116 223 R CA 1.035 57.129 56.100 -0.009 0.000 0.745 223 R CB -1.994 28.295 30.300 -0.017 0.000 1.185 223 R HN 0.945 nan 8.270 nan 0.000 0.454 224 G N -0.346 108.458 108.800 0.005 0.000 2.254 224 G HA2 -0.334 3.632 3.960 0.011 0.000 0.225 224 G HA3 -0.334 3.632 3.960 0.011 0.000 0.225 224 G C 0.005 174.908 174.900 0.004 0.000 1.003 224 G CA 0.121 45.224 45.100 0.006 0.000 0.622 224 G HN 0.409 nan 8.290 nan 0.000 0.507 225 N N 1.265 119.954 118.700 -0.018 0.000 3.229 225 N HA 0.506 5.252 4.740 0.011 0.000 0.275 225 N C 0.419 175.914 175.510 -0.025 0.000 1.225 225 N CA -0.506 52.516 53.050 -0.046 0.000 1.119 225 N CB -0.258 38.192 38.487 -0.063 0.000 1.392 225 N HN 0.248 nan 8.380 nan 0.000 0.520 226 L N 1.483 122.729 121.223 0.038 0.000 2.543 226 L HA 0.062 4.408 4.340 0.011 0.000 0.285 226 L C 0.803 177.805 176.870 0.219 0.000 1.236 226 L CA 1.053 55.987 54.840 0.156 0.000 0.871 226 L CB 0.153 42.396 42.059 0.308 0.000 1.121 226 L HN 0.331 nan 8.230 nan 0.000 0.501 227 R N 1.324 121.964 120.500 0.232 0.000 2.575 227 R HA 0.457 4.803 4.340 0.011 0.000 0.293 227 R C -0.648 175.835 176.300 0.306 0.000 0.983 227 R CA -0.706 55.556 56.100 0.269 0.000 0.887 227 R CB 1.751 32.078 30.300 0.046 0.000 1.184 227 R HN 0.578 nan 8.270 nan 0.000 0.445 228 S N 1.354 117.228 115.700 0.290 0.000 2.560 228 S HA 0.488 4.964 4.470 0.011 0.000 0.284 228 S C -0.196 174.457 174.600 0.088 0.000 1.327 228 S CA -0.075 58.184 58.200 0.097 0.000 1.055 228 S CB 1.165 64.376 63.200 0.017 0.000 0.868 228 S HN 0.715 nan 8.310 nan 0.000 0.506 229 A N 2.198 125.017 122.820 -0.001 0.000 2.566 229 A HA 0.804 5.130 4.320 0.011 0.000 0.290 229 A C -1.416 176.139 177.584 -0.049 0.000 1.071 229 A CA -0.666 51.307 52.037 -0.107 0.000 0.658 229 A CB 1.040 19.933 19.000 -0.178 0.000 1.285 229 A HN 0.794 nan 8.150 nan 0.000 0.427 230 I N 0.034 120.564 120.570 -0.067 0.000 2.827 230 I HA 0.674 4.850 4.170 0.011 0.000 0.298 230 I C -1.400 174.746 176.117 0.049 0.000 1.235 230 I CA -0.231 61.131 61.300 0.103 0.000 1.021 230 I CB 2.479 40.538 38.000 0.098 0.000 1.259 230 I HN 0.619 nan 8.210 nan 0.000 0.427 231 T N 6.018 120.611 114.554 0.064 0.000 2.833 231 T HA 0.408 4.764 4.350 0.011 0.000 0.297 231 T C -0.722 173.686 174.700 -0.486 0.000 1.015 231 T CA -0.351 61.634 62.100 -0.192 0.000 0.963 231 T CB 1.377 70.139 68.868 -0.176 0.000 0.955 231 T HN 0.266 nan 8.240 nan 0.000 0.449 232 V N 5.030 124.637 119.914 -0.512 0.000 2.364 232 V HA 0.470 4.596 4.120 0.011 0.000 0.272 232 V C -0.311 175.461 176.094 -0.537 0.000 1.036 232 V CA -0.674 61.341 62.300 -0.474 0.000 0.880 232 V CB -0.277 31.256 31.823 -0.483 0.000 0.991 232 V HN 0.678 nan 8.190 nan 0.000 0.460 233 F N 5.014 124.891 119.950 -0.121 0.000 2.410 233 F HA 0.538 5.072 4.527 0.012 0.000 0.324 233 F C -1.865 173.827 175.800 -0.179 0.000 1.093 233 F CA -2.698 55.147 58.000 -0.260 0.000 1.028 233 F CB 0.226 39.045 39.000 -0.301 0.000 1.309 233 F HN 0.287 nan 8.300 nan 0.000 0.499 234 P HA -0.044 nan 4.420 nan 0.000 0.263 234 P C -0.821 176.439 177.300 -0.067 0.000 1.175 234 P CA 0.109 63.088 63.100 -0.203 0.000 0.761 234 P CB 0.191 31.640 31.700 -0.418 0.000 0.794 235 Q N 3.518 123.172 119.800 -0.243 0.000 2.526 235 Q HA 0.224 4.570 4.340 0.011 0.000 0.207 235 Q C -0.151 175.720 176.000 -0.215 0.000 1.078 235 Q CA -0.446 55.021 55.803 -0.561 0.000 1.041 235 Q CB 0.547 28.646 28.738 -1.065 0.000 1.228 235 Q HN 0.316 nan 8.270 nan 0.000 0.603 236 R N -0.569 119.789 120.500 -0.235 0.000 2.582 236 R HA 0.525 4.871 4.340 0.011 0.000 0.271 236 R C -0.906 175.329 176.300 -0.109 0.000 1.078 236 R CA 0.090 56.127 56.100 -0.104 0.000 1.127 236 R CB 1.060 31.299 30.300 -0.101 0.000 1.038 236 R HN 0.697 nan 8.270 nan 0.000 0.500 237 A N 3.918 126.713 122.820 -0.043 0.000 2.374 237 A HA 0.476 4.803 4.320 0.011 0.000 0.305 237 A C -2.482 175.090 177.584 -0.019 0.000 1.053 237 A CA -1.969 50.049 52.037 -0.032 0.000 0.726 237 A CB 1.320 20.326 19.000 0.009 0.000 1.229 237 A HN 0.421 nan 8.150 nan 0.000 0.431 238 P HA 0.160 nan 4.420 nan 0.000 0.261 238 P C 1.313 178.611 177.300 -0.002 0.000 1.165 238 P CA 2.365 65.458 63.100 -0.011 0.000 0.759 238 P CB 0.542 32.238 31.700 -0.006 0.000 0.772 239 G N 2.398 111.196 108.800 -0.003 0.000 2.562 239 G HA2 -0.329 3.638 3.960 0.011 0.000 0.241 239 G HA3 -0.329 3.638 3.960 0.011 0.000 0.241 239 G C 0.558 175.458 174.900 0.001 0.000 1.120 239 G CA 0.076 45.177 45.100 0.001 0.000 0.673 239 G HN 0.753 nan 8.290 nan 0.000 0.519 240 R N 2.444 122.945 120.500 0.002 0.000 2.438 240 R HA 0.473 4.820 4.340 0.011 0.000 0.287 240 R C 0.982 177.278 176.300 -0.007 0.000 1.077 240 R CA 0.392 56.492 56.100 -0.000 0.000 1.034 240 R CB 0.194 30.500 30.300 0.011 0.000 0.993 240 R HN 0.487 nan 8.270 nan 0.000 0.459 241 G N 3.015 111.802 108.800 -0.022 0.000 2.491 241 G HA2 -0.001 3.965 3.960 0.011 0.000 0.238 241 G HA3 -0.001 3.965 3.960 0.011 0.000 0.238 241 G C -0.491 174.385 174.900 -0.040 0.000 1.277 241 G CA -0.458 44.625 45.100 -0.029 0.000 0.851 241 G HN 0.657 nan 8.290 nan 0.000 0.573 242 D N -0.243 120.153 120.400 -0.007 0.000 2.377 242 D HA 0.289 4.935 4.640 0.011 0.000 0.245 242 D C -0.222 176.089 176.300 0.018 0.000 1.196 242 D CA 0.185 54.214 54.000 0.048 0.000 0.962 242 D CB 0.618 41.457 40.800 0.065 0.000 1.127 242 D HN 0.151 nan 8.370 nan 0.000 0.471 243 F N 0.623 120.600 119.950 0.046 0.000 2.408 243 F HA 0.378 4.912 4.527 0.012 0.000 0.344 243 F C 0.883 176.723 175.800 0.067 0.000 1.112 243 F CA -0.203 57.821 58.000 0.040 0.000 1.096 243 F CB 0.851 39.874 39.000 0.039 0.000 1.129 243 F HN -0.204 nan 8.300 nan 0.000 0.486 244 R N 3.695 124.331 120.500 0.228 0.000 2.740 244 R HA 0.565 4.911 4.340 0.011 0.000 0.273 244 R C -1.349 175.114 176.300 0.271 0.000 0.998 244 R CA -0.872 55.373 56.100 0.241 0.000 0.900 244 R CB 2.342 32.791 30.300 0.249 0.000 1.223 244 R HN 0.620 nan 8.270 nan 0.000 0.466 245 I N 1.748 122.473 120.570 0.259 0.000 2.382 245 I HA 0.173 4.350 4.170 0.011 0.000 0.285 245 I C 0.396 176.725 176.117 0.353 0.000 1.007 245 I CA -0.521 60.932 61.300 0.255 0.000 1.142 245 I CB 1.348 39.440 38.000 0.154 0.000 1.289 245 I HN 0.516 nan 8.210 nan 0.000 0.453 246 W N 3.311 124.662 121.300 0.085 0.000 2.388 246 W HA -0.093 4.573 4.660 0.010 0.000 0.294 246 W C 0.990 177.622 176.519 0.188 0.000 1.212 246 W CA 0.182 57.641 57.345 0.189 0.000 1.271 246 W CB -0.838 28.756 29.460 0.222 0.000 1.126 246 W HN 0.412 nan 8.180 nan 0.000 0.535 247 N N 0.158 119.038 118.700 0.300 0.000 2.479 247 N HA 0.009 4.756 4.740 0.011 0.000 0.257 247 N C 1.307 176.885 175.510 0.113 0.000 1.232 247 N CA 0.870 54.019 53.050 0.165 0.000 0.920 247 N CB 0.633 39.158 38.487 0.062 0.000 1.105 247 N HN -0.087 nan 8.380 nan 0.000 0.444 248 S N 0.625 116.381 115.700 0.093 0.000 2.414 248 S HA -0.039 4.438 4.470 0.011 0.000 0.227 248 S C 0.364 174.960 174.600 -0.005 0.000 1.022 248 S CA 0.680 58.916 58.200 0.060 0.000 0.958 248 S CB 0.049 63.304 63.200 0.091 0.000 0.797 248 S HN 0.652 nan 8.310 nan 0.000 0.493 249 Q N -0.727 119.056 119.800 -0.028 0.000 2.456 249 Q HA 0.507 4.854 4.340 0.011 0.000 0.283 249 Q C 0.103 176.020 176.000 -0.138 0.000 1.084 249 Q CA -0.557 55.186 55.803 -0.100 0.000 0.801 249 Q CB 1.953 30.653 28.738 -0.064 0.000 1.434 249 Q HN 0.121 nan 8.270 nan 0.000 0.419 250 L N 0.211 121.320 121.223 -0.190 0.000 2.362 250 L HA 0.054 4.401 4.340 0.011 0.000 0.219 250 L C 0.153 176.876 176.870 -0.246 0.000 1.134 250 L CA 0.674 55.401 54.840 -0.188 0.000 0.807 250 L CB 0.274 42.200 42.059 -0.221 0.000 0.927 250 L HN 0.240 nan 8.230 nan 0.000 0.447 251 V N 0.784 120.467 119.914 -0.385 0.000 2.488 251 V HA 0.452 4.579 4.120 0.011 0.000 0.293 251 V C -0.372 175.213 176.094 -0.849 0.000 1.027 251 V CA -0.675 61.239 62.300 -0.644 0.000 0.862 251 V CB 1.786 33.074 31.823 -0.891 0.000 1.008 251 V HN 0.158 nan 8.190 nan 0.000 0.428 252 R N 2.733 122.900 120.500 -0.555 0.000 2.740 252 R HA 0.573 4.919 4.340 0.011 0.000 0.273 252 R C -1.798 174.361 176.300 -0.234 0.000 0.998 252 R CA -0.854 55.037 56.100 -0.349 0.000 0.900 252 R CB 2.653 32.891 30.300 -0.104 0.000 1.223 252 R HN 0.517 nan 8.270 nan 0.000 0.466 253 Y N 0.213 120.530 120.300 0.029 0.000 2.320 253 Y HA 0.462 5.018 4.550 0.011 0.000 0.324 253 Y C 0.831 176.715 175.900 -0.028 0.000 1.190 253 Y CA -0.807 57.310 58.100 0.028 0.000 1.215 253 Y CB 1.206 39.743 38.460 0.129 0.000 1.221 253 Y HN 0.683 nan 8.280 nan 0.000 0.486 254 A N 1.174 124.038 122.820 0.074 0.000 2.351 254 A HA 0.617 4.943 4.320 0.011 0.000 0.257 254 A C 0.449 177.822 177.584 -0.352 0.000 1.087 254 A CA 0.127 52.065 52.037 -0.166 0.000 0.798 254 A CB -0.140 18.717 19.000 -0.238 0.000 1.033 254 A HN 0.909 nan 8.150 nan 0.000 0.488 255 G N 0.285 108.900 108.800 -0.308 0.000 2.502 255 G HA2 0.540 4.507 3.960 0.011 0.000 0.311 255 G HA3 0.540 4.507 3.960 0.011 0.000 0.311 255 G C -1.006 173.777 174.900 -0.195 0.000 1.270 255 G CA -0.257 44.696 45.100 -0.245 0.000 0.948 255 G HN 0.579 nan 8.290 nan 0.000 0.487 256 Y N 2.113 122.428 120.300 0.026 0.000 2.385 256 Y HA 0.418 4.974 4.550 0.011 0.000 0.341 256 Y C 0.887 176.788 175.900 0.001 0.000 0.965 256 Y CA -1.224 56.889 58.100 0.021 0.000 1.180 256 Y CB 1.463 39.929 38.460 0.011 0.000 1.139 256 Y HN 0.404 nan 8.280 nan 0.000 0.502 257 R N 2.804 123.402 120.500 0.163 0.000 2.543 257 R HA 0.149 4.496 4.340 0.011 0.000 0.277 257 R C -0.370 175.971 176.300 0.068 0.000 1.074 257 R CA 0.003 56.154 56.100 0.085 0.000 1.076 257 R CB 0.387 30.725 30.300 0.063 0.000 0.993 257 R HN 0.589 nan 8.270 nan 0.000 0.459 258 Q N 2.112 121.937 119.800 0.041 0.000 2.286 258 Q HA 0.179 4.525 4.340 0.011 0.000 0.250 258 Q C 0.617 176.623 176.000 0.010 0.000 1.021 258 Q CA -0.708 55.109 55.803 0.023 0.000 0.930 258 Q CB 0.841 29.591 28.738 0.020 0.000 1.266 258 Q HN 0.535 nan 8.270 nan 0.000 0.491 259 Q N 0.513 120.314 119.800 0.001 0.000 2.079 259 Q HA -0.159 4.187 4.340 0.011 0.000 0.200 259 Q C 0.996 176.996 176.000 -0.000 0.000 0.974 259 Q CA 1.934 57.735 55.803 -0.003 0.000 0.840 259 Q CB -0.100 28.633 28.738 -0.009 0.000 0.898 259 Q HN 0.672 nan 8.270 nan 0.000 0.430 260 D N -1.718 118.683 120.400 0.001 0.000 2.363 260 D HA 0.103 4.749 4.640 0.011 0.000 0.226 260 D C 1.059 177.363 176.300 0.005 0.000 1.020 260 D CA 0.755 54.756 54.000 0.002 0.000 0.892 260 D CB 0.045 40.846 40.800 0.002 0.000 0.900 260 D HN 0.274 nan 8.370 nan 0.000 0.531 261 G N -0.079 108.726 108.800 0.008 0.000 2.213 261 G HA2 -0.316 3.650 3.960 0.011 0.000 0.236 261 G HA3 -0.316 3.650 3.960 0.011 0.000 0.236 261 G C 0.655 175.563 174.900 0.013 0.000 0.991 261 G CA 0.366 45.473 45.100 0.011 0.000 0.629 261 G HN 0.796 nan 8.290 nan 0.000 0.517 262 S N -0.759 114.948 115.700 0.012 0.000 2.633 262 S HA 0.712 5.189 4.470 0.011 0.000 0.257 262 S C 0.182 174.790 174.600 0.013 0.000 1.265 262 S CA 0.168 58.374 58.200 0.010 0.000 0.980 262 S CB 1.992 65.196 63.200 0.006 0.000 1.017 262 S HN 1.187 nan 8.310 nan 0.000 0.577 263 V N 0.703 120.616 119.914 -0.001 0.000 2.656 263 V HA 0.569 4.696 4.120 0.011 0.000 0.307 263 V C -0.081 175.996 176.094 -0.028 0.000 1.051 263 V CA -0.874 61.423 62.300 -0.005 0.000 0.893 263 V CB 1.636 33.441 31.823 -0.031 0.000 0.999 263 V HN 0.933 nan 8.190 nan 0.000 0.426 264 R N 2.263 122.772 120.500 0.015 0.000 2.294 264 R HA 0.680 5.027 4.340 0.011 0.000 0.319 264 R C 0.558 176.789 176.300 -0.114 0.000 0.984 264 R CA 0.896 56.999 56.100 0.005 0.000 0.861 264 R CB 1.071 31.457 30.300 0.144 0.000 1.104 264 R HN 1.230 nan 8.270 nan 0.000 0.451 265 G N 3.005 111.665 108.800 -0.233 0.000 2.516 265 G HA2 -0.252 3.714 3.960 0.011 0.000 0.220 265 G HA3 -0.252 3.714 3.960 0.011 0.000 0.220 265 G C -1.284 173.263 174.900 -0.589 0.000 1.165 265 G CA -0.044 44.848 45.100 -0.345 0.000 1.013 265 G HN 0.637 nan 8.290 nan 0.000 0.590 266 D N 1.769 121.966 120.400 -0.337 0.000 2.359 266 D HA 0.570 5.216 4.640 0.011 0.000 0.230 266 D C -1.032 175.178 176.300 -0.150 0.000 1.118 266 D CA -1.990 51.831 54.000 -0.299 0.000 0.844 266 D CB 1.481 42.438 40.800 0.261 0.000 1.059 266 D HN -0.013 nan 8.370 nan 0.000 0.493 267 P HA -0.101 nan 4.420 nan 0.000 0.219 267 P C 0.969 178.286 177.300 0.028 0.000 1.146 267 P CA 1.079 64.146 63.100 -0.054 0.000 0.808 267 P CB 0.280 31.957 31.700 -0.038 0.000 0.779 268 A N 0.321 123.184 122.820 0.072 0.000 1.883 268 A HA -0.181 4.146 4.320 0.011 0.000 0.217 268 A C 1.595 179.243 177.584 0.106 0.000 1.186 268 A CA 1.573 53.683 52.037 0.122 0.000 0.624 268 A CB -1.264 17.840 19.000 0.174 0.000 0.822 268 A HN 0.186 nan 8.150 nan 0.000 0.444 269 N N 0.376 119.132 118.700 0.092 0.000 2.484 269 N HA 0.146 4.893 4.740 0.011 0.000 0.245 269 N C 0.892 176.423 175.510 0.036 0.000 1.184 269 N CA 0.131 53.225 53.050 0.073 0.000 0.884 269 N CB 0.692 39.222 38.487 0.073 0.000 1.182 269 N HN 0.247 nan 8.380 nan 0.000 0.493 270 V N 0.486 120.422 119.914 0.036 0.000 2.379 270 V HA -0.192 3.935 4.120 0.011 0.000 0.245 270 V C 2.428 178.540 176.094 0.031 0.000 1.044 270 V CA 1.573 63.891 62.300 0.029 0.000 1.036 270 V CB -0.161 31.680 31.823 0.031 0.000 0.664 270 V HN 0.368 nan 8.190 nan 0.000 0.453 271 E N 0.029 120.246 120.200 0.028 0.000 2.017 271 E HA -0.261 4.096 4.350 0.011 0.000 0.193 271 E C 2.136 178.689 176.600 -0.080 0.000 0.997 271 E CA 1.833 58.219 56.400 -0.023 0.000 0.804 271 E CB -0.265 29.444 29.700 0.015 0.000 0.757 271 E HN 0.407 nan 8.360 nan 0.000 0.448 272 I N 1.001 121.551 120.570 -0.033 0.000 2.315 272 I HA -0.260 3.917 4.170 0.011 0.000 0.251 272 I C 2.004 178.121 176.117 0.000 0.000 1.125 272 I CA 1.658 62.940 61.300 -0.030 0.000 1.392 272 I CB -0.409 37.632 38.000 0.068 0.000 1.065 272 I HN 0.188 nan 8.210 nan 0.000 0.424 273 T N 0.158 114.732 114.554 0.034 0.000 2.737 273 T HA -0.155 4.202 4.350 0.011 0.000 0.265 273 T C 1.728 176.530 174.700 0.170 0.000 1.038 273 T CA 1.663 63.834 62.100 0.118 0.000 1.144 273 T CB -0.274 68.674 68.868 0.134 0.000 0.866 273 T HN 0.471 nan 8.240 nan 0.000 0.434 274 E N 0.869 121.128 120.200 0.098 0.000 2.118 274 E HA -0.071 4.286 4.350 0.011 0.000 0.195 274 E C 2.179 178.817 176.600 0.064 0.000 0.992 274 E CA 0.809 57.255 56.400 0.078 0.000 0.804 274 E CB -0.308 29.406 29.700 0.023 0.000 0.741 274 E HN 0.407 nan 8.360 nan 0.000 0.458 275 L N 0.177 121.409 121.223 0.014 0.000 2.141 275 L HA -0.166 4.180 4.340 0.011 0.000 0.209 275 L C 2.402 179.386 176.870 0.190 0.000 1.094 275 L CA 0.533 55.412 54.840 0.065 0.000 0.763 275 L CB -0.154 41.856 42.059 -0.082 0.000 0.908 275 L HN 0.303 nan 8.230 nan 0.000 0.437 276 C N -0.392 118.993 119.300 0.141 0.000 2.450 276 C HA -0.056 4.410 4.460 0.011 0.000 0.279 276 C C 2.634 177.807 174.990 0.305 0.000 1.335 276 C CA 0.267 59.383 59.018 0.164 0.000 1.749 276 C CB -0.474 27.296 27.740 0.049 0.000 1.963 276 C HN 0.428 nan 8.230 nan 0.000 0.501 277 I N 0.370 121.120 120.570 0.299 0.000 2.333 277 I HA -0.182 3.994 4.170 0.011 0.000 0.246 277 I C 2.418 178.592 176.117 0.095 0.000 1.106 277 I CA 1.288 62.715 61.300 0.211 0.000 1.411 277 I CB -0.543 37.551 38.000 0.157 0.000 1.082 277 I HN 0.391 nan 8.210 nan 0.000 0.420 278 Q N -0.119 119.720 119.800 0.065 0.000 2.500 278 Q HA -0.127 4.219 4.340 0.011 0.000 0.213 278 Q C 1.043 176.921 176.000 -0.203 0.000 0.974 278 Q CA 0.766 56.531 55.803 -0.063 0.000 0.918 278 Q CB 0.031 28.720 28.738 -0.082 0.000 0.980 278 Q HN 0.604 nan 8.270 nan 0.000 0.505 279 H N -2.032 117.032 119.070 -0.010 0.000 2.592 279 H HA 0.218 4.781 4.556 0.011 0.000 0.279 279 H C 0.966 176.269 175.328 -0.041 0.000 1.089 279 H CA 0.724 56.739 56.048 -0.055 0.000 1.150 279 H CB 1.534 31.224 29.762 -0.121 0.000 1.575 279 H HN 0.407 nan 8.280 nan 0.000 0.547 280 G N 0.753 109.595 108.800 0.072 0.000 2.231 280 G HA2 -0.228 3.739 3.960 0.011 0.000 0.206 280 G HA3 -0.228 3.739 3.960 0.011 0.000 0.206 280 G C -0.099 174.867 174.900 0.110 0.000 0.996 280 G CA -0.146 44.982 45.100 0.047 0.000 0.645 280 G HN 0.305 nan 8.290 nan 0.000 0.498 281 W N 3.070 124.351 121.300 -0.031 0.000 2.216 281 W HA 0.619 5.286 4.660 0.011 0.000 0.326 281 W C 0.166 176.677 176.519 -0.014 0.000 1.319 281 W CA 0.569 57.900 57.345 -0.024 0.000 1.213 281 W CB 0.775 30.234 29.460 -0.002 0.000 1.171 281 W HN 0.023 nan 8.180 nan 0.000 0.557 282 T N 9.667 123.897 114.554 -0.539 0.000 2.794 282 T HA 0.185 4.542 4.350 0.011 0.000 0.304 282 T C -2.090 171.879 174.700 -1.218 0.000 0.973 282 T CA -0.959 60.777 62.100 -0.607 0.000 0.972 282 T CB 0.294 68.956 68.868 -0.344 0.000 0.952 282 T HN 0.237 nan 8.240 nan 0.000 0.509 283 P HA 0.207 nan 4.420 nan 0.000 0.269 283 P C 0.480 177.340 177.300 -0.734 0.000 1.209 283 P CA -0.124 62.184 63.100 -1.319 0.000 0.776 283 P CB 0.875 32.193 31.700 -0.636 0.000 0.876 284 G N 1.257 109.788 108.800 -0.447 0.000 2.695 284 G HA2 0.276 4.243 3.960 0.011 0.000 0.213 284 G HA3 0.276 4.243 3.960 0.011 0.000 0.213 284 G C 0.233 174.933 174.900 -0.332 0.000 1.406 284 G CA -0.502 44.490 45.100 -0.179 0.000 1.049 284 G HN 0.779 nan 8.290 nan 0.000 0.573 285 N N -1.635 117.002 118.700 -0.105 0.000 2.162 285 N HA 0.185 4.932 4.740 0.011 0.000 0.232 285 N C 0.586 176.179 175.510 0.138 0.000 1.361 285 N CA -0.216 52.730 53.050 -0.173 0.000 0.786 285 N CB 0.570 38.932 38.487 -0.209 0.000 1.290 285 N HN 0.657 nan 8.380 nan 0.000 0.505 286 G N 0.771 109.726 108.800 0.257 0.000 2.563 286 G HA2 0.167 4.133 3.960 0.011 0.000 0.283 286 G HA3 0.167 4.133 3.960 0.011 0.000 0.283 286 G C 0.254 175.231 174.900 0.127 0.000 1.309 286 G CA -0.593 44.611 45.100 0.173 0.000 1.022 286 G HN 0.195 nan 8.290 nan 0.000 0.501 287 R N -1.462 119.005 120.500 -0.055 0.000 2.312 287 R HA 0.235 4.582 4.340 0.011 0.000 0.205 287 R C -0.197 175.609 176.300 -0.824 0.000 0.904 287 R CA 0.136 56.013 56.100 -0.372 0.000 1.052 287 R CB 0.084 30.117 30.300 -0.445 0.000 1.014 287 R HN 0.394 nan 8.270 nan 0.000 0.503 288 F N 0.786 120.627 119.950 -0.182 0.000 2.576 288 F HA 0.287 4.820 4.527 0.011 0.000 0.365 288 F C -1.028 174.563 175.800 -0.348 0.000 1.506 288 F CA -1.122 56.456 58.000 -0.703 0.000 1.113 288 F CB 0.830 39.330 39.000 -0.833 0.000 1.293 288 F HN -0.227 nan 8.300 nan 0.000 0.540 289 D N 1.611 122.067 120.400 0.093 0.000 2.277 289 D HA 0.223 4.870 4.640 0.011 0.000 0.249 289 D C 0.168 176.685 176.300 0.362 0.000 1.134 289 D CA -0.064 54.100 54.000 0.274 0.000 0.863 289 D CB 2.499 43.528 40.800 0.383 0.000 1.143 289 D HN -0.067 nan 8.370 nan 0.000 0.458 290 V N 3.637 123.747 119.914 0.327 0.000 2.479 290 V HA 0.011 4.137 4.120 0.011 0.000 0.281 290 V C 0.992 177.090 176.094 0.006 0.000 1.031 290 V CA -0.345 62.063 62.300 0.179 0.000 1.038 290 V CB 0.036 31.918 31.823 0.098 0.000 0.981 290 V HN 0.342 nan 8.190 nan 0.000 0.478 291 L N 8.592 129.740 121.223 -0.126 0.000 2.467 291 L HA 0.270 4.616 4.340 0.011 0.000 0.270 291 L C -1.553 175.074 176.870 -0.405 0.000 1.205 291 L CA -1.113 53.496 54.840 -0.385 0.000 0.828 291 L CB 0.489 42.367 42.059 -0.301 0.000 1.101 291 L HN 0.485 nan 8.230 nan 0.000 0.479 292 P HA 0.272 nan 4.420 nan 0.000 0.279 292 P C -1.174 175.967 177.300 -0.265 0.000 1.276 292 P CA -0.537 62.300 63.100 -0.440 0.000 0.801 292 P CB 1.059 32.349 31.700 -0.683 0.000 1.127 293 L N 0.421 121.574 121.223 -0.116 0.000 2.322 293 L HA 0.446 4.792 4.340 0.011 0.000 0.279 293 L C 0.305 177.152 176.870 -0.037 0.000 1.036 293 L CA -0.852 53.971 54.840 -0.027 0.000 0.807 293 L CB 0.974 43.089 42.059 0.093 0.000 1.226 293 L HN 0.195 nan 8.230 nan 0.000 0.433 294 L N 4.692 125.883 121.223 -0.054 0.000 2.295 294 L HA 0.465 4.812 4.340 0.011 0.000 0.281 294 L C -0.799 175.990 176.870 -0.135 0.000 1.018 294 L CA -0.226 54.491 54.840 -0.205 0.000 0.841 294 L CB 1.003 42.853 42.059 -0.348 0.000 1.218 294 L HN 0.428 nan 8.230 nan 0.000 0.424 295 L N 4.178 125.368 121.223 -0.056 0.000 2.287 295 L HA 0.458 4.804 4.340 0.011 0.000 0.287 295 L C -0.162 176.672 176.870 -0.060 0.000 1.022 295 L CA -0.306 54.539 54.840 0.009 0.000 0.814 295 L CB 1.661 43.773 42.059 0.087 0.000 1.217 295 L HN 0.574 nan 8.230 nan 0.000 0.420 296 Q N 3.105 122.892 119.800 -0.021 0.000 2.394 296 Q HA 0.589 4.935 4.340 0.011 0.000 0.259 296 Q C -0.659 175.296 176.000 -0.074 0.000 1.021 296 Q CA -0.533 55.257 55.803 -0.022 0.000 0.805 296 Q CB 1.742 30.587 28.738 0.178 0.000 1.226 296 Q HN 0.791 nan 8.270 nan 0.000 0.476 297 A N 5.085 127.810 122.820 -0.159 0.000 2.287 297 A HA 0.559 4.885 4.320 0.011 0.000 0.273 297 A C -2.359 174.959 177.584 -0.442 0.000 1.091 297 A CA -1.440 50.346 52.037 -0.418 0.000 0.817 297 A CB 0.009 18.867 19.000 -0.236 0.000 1.069 297 A HN 0.611 nan 8.150 nan 0.000 0.492 298 P HA 0.043 nan 4.420 nan 0.000 0.261 298 P C -0.704 176.489 177.300 -0.179 0.000 1.173 298 P CA 0.782 63.652 63.100 -0.383 0.000 0.760 298 P CB 0.121 31.586 31.700 -0.392 0.000 0.783 299 D N 0.571 120.913 120.400 -0.096 0.000 2.751 299 D HA -0.190 4.457 4.640 0.011 0.000 0.233 299 D C -0.186 176.096 176.300 -0.031 0.000 1.149 299 D CA 1.310 55.286 54.000 -0.041 0.000 0.682 299 D CB -0.795 39.985 40.800 -0.033 0.000 1.068 299 D HN 0.569 nan 8.370 nan 0.000 0.429 300 E N -0.947 119.232 120.200 -0.035 0.000 2.367 300 E HA 0.655 5.011 4.350 0.011 0.000 0.273 300 E C -0.276 176.319 176.600 -0.008 0.000 0.903 300 E CA -0.880 55.504 56.400 -0.027 0.000 0.764 300 E CB 1.875 31.544 29.700 -0.051 0.000 1.252 300 E HN 0.118 nan 8.360 nan 0.000 0.446 301 A N 2.563 125.379 122.820 -0.007 0.000 2.386 301 A HA 0.387 4.714 4.320 0.011 0.000 0.248 301 A C -2.079 175.435 177.584 -0.117 0.000 1.082 301 A CA -0.892 51.139 52.037 -0.009 0.000 0.789 301 A CB -0.346 18.665 19.000 0.017 0.000 1.025 301 A HN 0.308 nan 8.150 nan 0.000 0.490 302 P HA 0.242 nan 4.420 nan 0.000 0.274 302 P C -0.685 176.405 177.300 -0.351 0.000 1.231 302 P CA -0.049 62.783 63.100 -0.447 0.000 0.790 302 P CB 0.836 31.898 31.700 -1.063 0.000 0.951 303 E N 0.486 120.529 120.200 -0.262 0.000 2.222 303 E HA 0.445 4.801 4.350 0.011 0.000 0.272 303 E C -0.815 175.516 176.600 -0.449 0.000 0.982 303 E CA -0.998 55.199 56.400 -0.339 0.000 0.842 303 E CB 1.158 30.658 29.700 -0.333 0.000 1.144 303 E HN 0.248 nan 8.360 nan 0.000 0.397 304 L N 2.840 123.719 121.223 -0.574 0.000 2.282 304 L HA 0.447 4.793 4.340 0.011 0.000 0.288 304 L C -1.600 174.820 176.870 -0.750 0.000 1.033 304 L CA -0.024 54.533 54.840 -0.471 0.000 0.807 304 L CB 0.244 42.143 42.059 -0.267 0.000 1.209 304 L HN 0.407 nan 8.230 nan 0.000 0.423 305 F N 3.959 123.696 119.950 -0.355 0.000 2.540 305 F HA 0.585 5.120 4.527 0.012 0.000 0.317 305 F C -0.162 175.380 175.800 -0.430 0.000 1.104 305 F CA -0.915 56.724 58.000 -0.601 0.000 0.913 305 F CB 1.987 40.290 39.000 -1.162 0.000 1.170 305 F HN 0.034 nan 8.300 nan 0.000 0.450 306 V N 4.336 124.146 119.914 -0.174 0.000 2.427 306 V HA 0.339 4.466 4.120 0.011 0.000 0.286 306 V C 0.014 176.211 176.094 0.171 0.000 1.034 306 V CA -0.857 61.440 62.300 -0.006 0.000 0.893 306 V CB 1.652 33.508 31.823 0.055 0.000 0.982 306 V HN 0.535 nan 8.190 nan 0.000 0.452 307 L N 6.692 128.035 121.223 0.200 0.000 2.360 307 L HA 0.307 4.653 4.340 0.011 0.000 0.276 307 L C -2.139 174.838 176.870 0.179 0.000 1.121 307 L CA -1.474 53.520 54.840 0.257 0.000 0.845 307 L CB 0.723 42.861 42.059 0.130 0.000 1.143 307 L HN 0.437 nan 8.230 nan 0.000 0.452 308 P HA 0.051 nan 4.420 nan 0.000 0.261 308 P C -1.965 175.383 177.300 0.080 0.000 1.203 308 P CA -0.845 62.326 63.100 0.118 0.000 0.767 308 P CB 0.393 32.149 31.700 0.093 0.000 0.785 309 P HA -0.258 nan 4.420 nan 0.000 0.218 309 P C 0.967 178.298 177.300 0.051 0.000 1.150 309 P CA 1.558 64.699 63.100 0.069 0.000 0.841 309 P CB 0.056 31.799 31.700 0.072 0.000 0.784 310 E N -0.960 119.266 120.200 0.043 0.000 2.106 310 E HA -0.101 4.255 4.350 0.011 0.000 0.192 310 E C 1.958 178.573 176.600 0.024 0.000 0.984 310 E CA 0.844 57.262 56.400 0.030 0.000 0.806 310 E CB -0.840 28.875 29.700 0.025 0.000 0.750 310 E HN 0.257 nan 8.360 nan 0.000 0.458 311 L N 0.430 121.665 121.223 0.021 0.000 2.141 311 L HA -0.027 4.320 4.340 0.011 0.000 0.209 311 L C 0.501 177.380 176.870 0.014 0.000 1.094 311 L CA 0.339 55.185 54.840 0.009 0.000 0.763 311 L CB -0.159 41.892 42.059 -0.013 0.000 0.908 311 L HN -0.009 nan 8.230 nan 0.000 0.437 312 V N 2.546 122.472 119.914 0.020 0.000 2.326 312 V HA 0.075 4.202 4.120 0.011 0.000 0.249 312 V C 0.182 176.300 176.094 0.040 0.000 1.114 312 V CA -0.381 61.930 62.300 0.019 0.000 1.028 312 V CB 0.464 32.295 31.823 0.013 0.000 1.170 312 V HN 0.080 nan 8.190 nan 0.000 0.494 313 L N 5.581 126.832 121.223 0.047 0.000 2.380 313 L HA 0.461 4.807 4.340 0.011 0.000 0.273 313 L C 0.189 177.092 176.870 0.055 0.000 1.138 313 L CA 0.751 55.616 54.840 0.041 0.000 0.832 313 L CB 0.510 42.590 42.059 0.035 0.000 1.124 313 L HN 0.659 nan 8.230 nan 0.000 0.454 314 E N 3.342 123.553 120.200 0.019 0.000 2.359 314 E HA 0.644 5.000 4.350 0.011 0.000 0.266 314 E C -1.540 175.004 176.600 -0.094 0.000 0.920 314 E CA -1.069 55.334 56.400 0.004 0.000 0.788 314 E CB 2.453 32.180 29.700 0.046 0.000 1.279 314 E HN 0.370 nan 8.360 nan 0.000 0.438 315 V N 2.095 121.918 119.914 -0.153 0.000 2.483 315 V HA 0.327 4.454 4.120 0.011 0.000 0.297 315 V C -2.496 173.515 176.094 -0.137 0.000 1.027 315 V CA -1.930 60.225 62.300 -0.241 0.000 0.855 315 V CB 1.507 32.966 31.823 -0.606 0.000 0.995 315 V HN 0.519 nan 8.190 nan 0.000 0.424 316 P HA 0.406 nan 4.420 nan 0.000 0.278 316 P C -0.852 176.443 177.300 -0.009 0.000 1.238 316 P CA -0.293 62.773 63.100 -0.056 0.000 0.794 316 P CB 0.745 32.425 31.700 -0.033 0.000 0.955 317 L N 2.682 123.936 121.223 0.051 0.000 2.295 317 L HA 0.530 4.876 4.340 0.011 0.000 0.285 317 L C 0.766 177.744 176.870 0.179 0.000 1.035 317 L CA -0.334 54.580 54.840 0.124 0.000 0.806 317 L CB 0.998 43.191 42.059 0.223 0.000 1.214 317 L HN 0.500 nan 8.230 nan 0.000 0.426 318 E N 1.445 121.690 120.200 0.075 0.000 2.408 318 E HA 0.405 4.762 4.350 0.011 0.000 0.275 318 E C -1.348 175.134 176.600 -0.196 0.000 0.935 318 E CA -0.933 55.497 56.400 0.050 0.000 0.775 318 E CB 2.182 31.932 29.700 0.084 0.000 1.277 318 E HN 0.470 nan 8.360 nan 0.000 0.455 319 H N 1.468 120.283 119.070 -0.426 0.000 2.496 319 H HA 0.245 4.807 4.556 0.011 0.000 0.342 319 H C -1.713 173.236 175.328 -0.632 0.000 1.170 319 H CA -2.243 53.436 56.048 -0.615 0.000 1.274 319 H CB 1.893 31.267 29.762 -0.646 0.000 1.538 319 H HN 0.444 nan 8.280 nan 0.000 0.542 320 P HA -0.053 nan 4.420 nan 0.000 0.225 320 P C 0.780 177.897 177.300 -0.304 0.000 1.156 320 P CA 1.309 63.851 63.100 -0.930 0.000 0.787 320 P CB 0.526 31.678 31.700 -0.913 0.000 0.802 321 T N -4.915 109.643 114.554 0.006 0.000 2.993 321 T HA 0.224 4.581 4.350 0.011 0.000 0.260 321 T C 0.646 175.315 174.700 -0.052 0.000 0.939 321 T CA -0.201 61.908 62.100 0.016 0.000 0.886 321 T CB -0.460 68.425 68.868 0.028 0.000 1.209 321 T HN -0.073 nan 8.240 nan 0.000 0.518 322 L N 2.732 123.858 121.223 -0.163 0.000 2.328 322 L HA 0.425 4.772 4.340 0.011 0.000 0.280 322 L C 1.142 177.655 176.870 -0.595 0.000 1.111 322 L CA -0.397 54.053 54.840 -0.649 0.000 0.909 322 L CB 0.645 41.912 42.059 -1.319 0.000 1.277 322 L HN 0.230 nan 8.230 nan 0.000 0.433 323 E N 3.125 123.145 120.200 -0.299 0.000 2.209 323 E HA -0.218 4.138 4.350 0.011 0.000 0.196 323 E C 1.579 178.152 176.600 -0.046 0.000 0.993 323 E CA 1.615 57.948 56.400 -0.112 0.000 0.819 323 E CB 0.021 29.725 29.700 0.007 0.000 0.745 323 E HN 0.807 nan 8.360 nan 0.000 0.477 324 W N -0.039 121.309 121.300 0.081 0.000 2.519 324 W HA -0.029 4.637 4.660 0.011 0.000 0.266 324 W C 1.570 178.153 176.519 0.108 0.000 1.253 324 W CA -0.127 57.260 57.345 0.070 0.000 1.274 324 W CB -0.938 28.539 29.460 0.028 0.000 1.114 324 W HN -0.031 nan 8.180 nan 0.000 0.596 325 F N 2.905 122.651 119.950 -0.340 0.000 2.161 325 F HA -0.150 4.384 4.527 0.011 0.000 0.300 325 F C 2.677 178.497 175.800 0.034 0.000 1.089 325 F CA 2.815 60.723 58.000 -0.153 0.000 1.282 325 F CB -0.351 38.394 39.000 -0.424 0.000 1.010 325 F HN -0.083 nan 8.300 nan 0.000 0.485 326 A N 0.012 122.999 122.820 0.279 0.000 2.019 326 A HA -0.090 4.236 4.320 0.011 0.000 0.219 326 A C 2.238 179.916 177.584 0.157 0.000 1.164 326 A CA 1.429 53.593 52.037 0.211 0.000 0.644 326 A CB -1.293 17.783 19.000 0.128 0.000 0.805 326 A HN 0.442 nan 8.150 nan 0.000 0.449 327 A N -1.031 121.886 122.820 0.161 0.000 2.119 327 A HA 0.140 4.467 4.320 0.011 0.000 0.217 327 A C 1.791 179.438 177.584 0.106 0.000 1.153 327 A CA 1.102 53.218 52.037 0.132 0.000 0.692 327 A CB -0.372 18.722 19.000 0.155 0.000 0.799 327 A HN 0.373 nan 8.150 nan 0.000 0.458 328 L N -0.835 120.439 121.223 0.086 0.000 2.275 328 L HA 0.056 4.402 4.340 0.011 0.000 0.215 328 L C 1.907 178.817 176.870 0.067 0.000 1.119 328 L CA 1.422 56.276 54.840 0.023 0.000 0.790 328 L CB -0.943 41.017 42.059 -0.165 0.000 0.919 328 L HN 0.668 nan 8.230 nan 0.000 0.443 329 G N -0.855 107.993 108.800 0.080 0.000 2.160 329 G HA2 -0.282 3.684 3.960 0.011 0.000 0.251 329 G HA3 -0.282 3.684 3.960 0.011 0.000 0.251 329 G C 0.345 175.272 174.900 0.045 0.000 1.008 329 G CA 0.342 45.490 45.100 0.081 0.000 0.724 329 G HN 0.303 nan 8.290 nan 0.000 0.514 330 L N -0.157 121.085 121.223 0.032 0.000 2.395 330 L HA 0.765 5.111 4.340 0.011 0.000 0.269 330 L C 1.105 177.828 176.870 -0.244 0.000 1.133 330 L CA -0.525 54.269 54.840 -0.077 0.000 0.812 330 L CB 0.889 43.011 42.059 0.106 0.000 1.125 330 L HN 0.553 nan 8.230 nan 0.000 0.452 331 R N 1.617 121.761 120.500 -0.594 0.000 2.690 331 R HA 0.497 4.843 4.340 0.011 0.000 0.269 331 R C -2.092 174.117 176.300 -0.152 0.000 1.037 331 R CA -1.039 54.840 56.100 -0.368 0.000 0.877 331 R CB 1.730 31.764 30.300 -0.444 0.000 1.255 331 R HN 0.604 nan 8.270 nan 0.000 0.467 332 W N 2.059 123.274 121.300 -0.142 0.000 3.167 332 W HA 0.352 5.019 4.660 0.010 0.000 0.324 332 W C -1.092 175.422 176.519 -0.008 0.000 1.230 332 W CA -1.024 56.294 57.345 -0.045 0.000 1.184 332 W CB 2.047 31.409 29.460 -0.164 0.000 1.414 332 W HN 0.704 nan 8.180 nan 0.000 0.551 333 Y N 0.944 121.079 120.300 -0.275 0.000 2.314 333 Y HA 0.546 5.103 4.550 0.010 0.000 0.334 333 Y C 0.736 176.807 175.900 0.285 0.000 1.266 333 Y CA 0.061 58.124 58.100 -0.061 0.000 1.391 333 Y CB 0.192 38.510 38.460 -0.237 0.000 1.306 333 Y HN 0.335 nan 8.280 nan 0.000 0.558 334 A N 1.665 124.730 122.820 0.409 0.000 2.081 334 A HA 0.156 4.482 4.320 0.011 0.000 0.214 334 A C 0.282 178.211 177.584 0.575 0.000 1.158 334 A CA 0.162 52.488 52.037 0.482 0.000 0.724 334 A CB -0.175 18.956 19.000 0.218 0.000 0.826 334 A HN 0.631 nan 8.150 nan 0.000 0.463 335 L N 2.098 123.625 121.223 0.508 0.000 2.276 335 L HA 0.442 4.789 4.340 0.011 0.000 0.286 335 L C -2.637 174.395 176.870 0.271 0.000 1.024 335 L CA -2.333 52.697 54.840 0.317 0.000 0.826 335 L CB 1.566 43.727 42.059 0.170 0.000 1.211 335 L HN -0.044 nan 8.230 nan 0.000 0.422 336 P HA 0.337 nan 4.420 nan 0.000 0.292 336 P C -1.364 175.850 177.300 -0.144 0.000 1.326 336 P CA -0.400 62.605 63.100 -0.158 0.000 0.787 336 P CB 1.476 32.685 31.700 -0.818 0.000 0.903 337 A N 4.626 127.356 122.820 -0.149 0.000 2.763 337 A HA 0.362 4.689 4.320 0.011 0.000 0.325 337 A C -0.053 177.300 177.584 -0.384 0.000 1.209 337 A CA -0.633 51.242 52.037 -0.271 0.000 0.764 337 A CB 0.362 19.202 19.000 -0.267 0.000 1.120 337 A HN 0.302 nan 8.150 nan 0.000 0.463 338 V N 2.355 121.917 119.914 -0.585 0.000 2.557 338 V HA 0.123 4.250 4.120 0.011 0.000 0.301 338 V C 1.303 176.966 176.094 -0.717 0.000 1.026 338 V CA 1.576 63.489 62.300 -0.645 0.000 1.137 338 V CB 0.810 32.116 31.823 -0.862 0.000 0.917 338 V HN 1.088 nan 8.190 nan 0.000 0.484 339 S N 1.449 116.944 115.700 -0.341 0.000 2.847 339 S HA 0.084 4.561 4.470 0.011 0.000 0.254 339 S C 0.697 175.272 174.600 -0.041 0.000 1.039 339 S CA 0.046 58.131 58.200 -0.191 0.000 1.113 339 S CB -0.410 62.721 63.200 -0.114 0.000 1.092 339 S HN 0.923 nan 8.310 nan 0.000 0.620 340 N N 0.413 119.097 118.700 -0.026 0.000 2.184 340 N HA 0.304 5.051 4.740 0.011 0.000 0.206 340 N C 0.208 175.769 175.510 0.084 0.000 1.151 340 N CA -0.554 52.519 53.050 0.040 0.000 0.878 340 N CB 0.139 38.645 38.487 0.031 0.000 1.014 340 N HN 0.258 nan 8.380 nan 0.000 0.512 341 M N 1.428 121.098 119.600 0.117 0.000 2.291 341 M HA 0.278 4.764 4.480 0.011 0.000 0.324 341 M C -0.402 176.039 176.300 0.236 0.000 1.148 341 M CA -0.769 54.653 55.300 0.203 0.000 1.104 341 M CB 2.067 34.836 32.600 0.281 0.000 1.483 341 M HN 0.148 nan 8.290 nan 0.000 0.467 342 L N 2.753 124.097 121.223 0.202 0.000 2.307 342 L HA 0.539 4.885 4.340 0.011 0.000 0.282 342 L C -1.303 175.671 176.870 0.174 0.000 1.051 342 L CA -0.841 54.101 54.840 0.171 0.000 0.804 342 L CB 1.078 43.193 42.059 0.093 0.000 1.197 342 L HN 0.599 nan 8.230 nan 0.000 0.431 343 L N 5.097 126.409 121.223 0.149 0.000 2.280 343 L HA 0.474 4.821 4.340 0.011 0.000 0.287 343 L C -0.569 176.291 176.870 -0.016 0.000 1.023 343 L CA 0.168 54.975 54.840 -0.056 0.000 0.819 343 L CB 1.088 43.093 42.059 -0.089 0.000 1.212 343 L HN 0.682 nan 8.230 nan 0.000 0.420 344 E N 6.521 126.642 120.200 -0.133 0.000 2.133 344 E HA 0.401 4.758 4.350 0.011 0.000 0.274 344 E C -1.530 174.974 176.600 -0.160 0.000 0.930 344 E CA -0.419 55.928 56.400 -0.088 0.000 0.770 344 E CB 1.090 30.740 29.700 -0.083 0.000 1.104 344 E HN 0.716 nan 8.360 nan 0.000 0.403 345 I N 2.555 123.037 120.570 -0.145 0.000 2.478 345 I HA 0.258 4.435 4.170 0.011 0.000 0.287 345 I C 0.882 176.789 176.117 -0.350 0.000 1.042 345 I CA -0.759 60.329 61.300 -0.353 0.000 1.067 345 I CB 1.972 39.676 38.000 -0.493 0.000 1.233 345 I HN 0.791 nan 8.210 nan 0.000 0.431 346 G N 4.177 112.819 108.800 -0.263 0.000 2.361 346 G HA2 -0.147 3.820 3.960 0.011 0.000 0.294 346 G HA3 -0.147 3.820 3.960 0.011 0.000 0.294 346 G C 1.023 176.006 174.900 0.137 0.000 1.004 346 G CA 0.909 46.060 45.100 0.084 0.000 0.870 346 G HN 1.532 nan 8.290 nan 0.000 0.510 347 G N -1.666 107.145 108.800 0.018 0.000 2.308 347 G HA2 -0.228 3.738 3.960 0.011 0.000 0.221 347 G HA3 -0.228 3.738 3.960 0.011 0.000 0.221 347 G C 0.608 175.442 174.900 -0.111 0.000 1.032 347 G CA 0.205 45.307 45.100 0.003 0.000 0.623 347 G HN 1.263 nan 8.290 nan 0.000 0.506 348 L N 1.346 122.434 121.223 -0.225 0.000 2.456 348 L HA 0.423 4.770 4.340 0.011 0.000 0.272 348 L C 0.367 177.055 176.870 -0.304 0.000 1.189 348 L CA 0.340 54.946 54.840 -0.390 0.000 0.846 348 L CB 0.519 42.240 42.059 -0.563 0.000 1.111 348 L HN 0.271 nan 8.230 nan 0.000 0.475 349 E N 3.078 123.049 120.200 -0.383 0.000 2.182 349 E HA 0.292 4.648 4.350 0.011 0.000 0.258 349 E C -1.354 175.067 176.600 -0.299 0.000 0.879 349 E CA -0.347 55.917 56.400 -0.226 0.000 0.754 349 E CB 1.209 30.829 29.700 -0.132 0.000 1.162 349 E HN 0.291 nan 8.360 nan 0.000 0.419 350 F N 2.282 122.189 119.950 -0.071 0.000 2.406 350 F HA 0.050 4.584 4.527 0.012 0.000 0.358 350 F C 1.801 177.628 175.800 0.045 0.000 1.161 350 F CA -0.365 57.621 58.000 -0.023 0.000 1.185 350 F CB 0.727 39.695 39.000 -0.054 0.000 1.421 350 F HN 0.430 nan 8.300 nan 0.000 0.576 351 S N 1.657 117.460 115.700 0.172 0.000 2.440 351 S HA 0.002 4.479 4.470 0.011 0.000 0.238 351 S C 0.877 175.611 174.600 0.223 0.000 1.010 351 S CA 0.516 58.817 58.200 0.167 0.000 0.972 351 S CB -0.070 63.208 63.200 0.131 0.000 0.774 351 S HN 0.496 nan 8.310 nan 0.000 0.501 352 A N 0.269 123.270 122.820 0.301 0.000 2.363 352 A HA 0.836 5.162 4.320 0.011 0.000 0.296 352 A C -0.137 177.693 177.584 0.410 0.000 1.237 352 A CA -0.188 52.068 52.037 0.365 0.000 0.773 352 A CB 1.088 20.327 19.000 0.400 0.000 1.153 352 A HN 1.110 nan 8.150 nan 0.000 0.473 353 A N 4.111 127.108 122.820 0.295 0.000 3.464 353 A HA 0.588 4.915 4.320 0.011 0.000 0.243 353 A C -2.953 174.760 177.584 0.214 0.000 1.100 353 A CA -0.826 51.324 52.037 0.187 0.000 0.957 353 A CB 0.243 19.347 19.000 0.172 0.000 1.340 353 A HN 0.534 nan 8.150 nan 0.000 0.645 354 P HA 0.341 nan 4.420 nan 0.000 0.265 354 P C -0.679 176.651 177.300 0.049 0.000 1.193 354 P CA 0.617 63.690 63.100 -0.045 0.000 0.765 354 P CB 0.155 31.819 31.700 -0.061 0.000 0.823 355 F N -0.062 119.859 119.950 -0.049 0.000 2.593 355 F HA 0.806 5.339 4.527 0.010 0.000 0.320 355 F C -0.527 175.199 175.800 -0.124 0.000 1.060 355 F CA -1.249 56.708 58.000 -0.072 0.000 0.940 355 F CB 1.618 40.448 39.000 -0.283 0.000 1.268 355 F HN 0.425 nan 8.300 nan 0.000 0.475 356 S N -0.217 115.564 115.700 0.136 0.000 2.547 356 S HA 0.896 5.372 4.470 0.011 0.000 0.270 356 S C -0.797 173.755 174.600 -0.079 0.000 1.150 356 S CA -0.191 58.016 58.200 0.013 0.000 0.850 356 S CB 1.363 64.629 63.200 0.111 0.000 1.118 356 S HN 1.480 nan 8.310 nan 0.000 0.461 357 G N 0.086 108.782 108.800 -0.173 0.000 3.382 357 G HA2 0.741 4.708 3.960 0.011 0.000 0.183 357 G HA3 0.741 4.708 3.960 0.011 0.000 0.183 357 G C -1.575 173.295 174.900 -0.050 0.000 1.246 357 G CA -0.284 44.631 45.100 -0.308 0.000 0.828 357 G HN 1.203 nan 8.290 nan 0.000 0.728 358 W N -1.174 120.128 121.300 0.004 0.000 3.127 358 W HA 0.799 5.464 4.660 0.009 0.000 0.330 358 W C -1.555 174.972 176.519 0.012 0.000 1.187 358 W CA -2.264 55.104 57.345 0.038 0.000 1.198 358 W CB 0.309 29.831 29.460 0.103 0.000 1.408 358 W HN 0.413 nan 8.180 nan 0.000 0.529 359 Y N 3.017 123.496 120.300 0.298 0.000 2.550 359 Y HA 0.152 4.708 4.550 0.011 0.000 0.343 359 Y C 0.936 176.893 175.900 0.094 0.000 1.245 359 Y CA -0.127 58.040 58.100 0.111 0.000 1.462 359 Y CB 0.769 39.212 38.460 -0.029 0.000 1.340 359 Y HN 0.475 nan 8.280 nan 0.000 0.604 360 M N 2.435 122.179 119.600 0.241 0.000 2.167 360 M HA 0.196 4.682 4.480 0.011 0.000 0.333 360 M C 0.955 177.259 176.300 0.007 0.000 1.030 360 M CA -0.450 54.924 55.300 0.124 0.000 0.963 360 M CB 1.389 34.046 32.600 0.095 0.000 1.589 360 M HN 0.882 nan 8.290 nan 0.000 0.431 361 S N 1.968 117.625 115.700 -0.073 0.000 2.399 361 S HA -0.243 4.234 4.470 0.011 0.000 0.235 361 S C 1.535 176.024 174.600 -0.184 0.000 1.063 361 S CA 2.554 60.644 58.200 -0.183 0.000 1.070 361 S CB -1.541 61.592 63.200 -0.113 0.000 0.904 361 S HN 0.923 nan 8.310 nan 0.000 0.456 362 T N -0.081 114.403 114.554 -0.118 0.000 2.929 362 T HA -0.066 4.290 4.350 0.011 0.000 0.271 362 T C 1.559 176.130 174.700 -0.216 0.000 1.085 362 T CA 1.348 63.328 62.100 -0.199 0.000 1.125 362 T CB -0.649 68.056 68.868 -0.272 0.000 0.874 362 T HN 0.620 nan 8.240 nan 0.000 0.494 363 E N 0.670 120.764 120.200 -0.175 0.000 2.085 363 E HA -0.053 4.303 4.350 0.011 0.000 0.194 363 E C 2.035 178.421 176.600 -0.356 0.000 0.994 363 E CA 1.480 57.782 56.400 -0.163 0.000 0.801 363 E CB -0.217 29.514 29.700 0.050 0.000 0.743 363 E HN 0.622 nan 8.360 nan 0.000 0.453 364 I N -0.343 119.901 120.570 -0.542 0.000 2.364 364 I HA -0.023 4.154 4.170 0.011 0.000 0.241 364 I C 2.413 178.221 176.117 -0.515 0.000 1.082 364 I CA 0.761 61.572 61.300 -0.815 0.000 1.401 364 I CB -0.365 37.035 38.000 -1.000 0.000 1.126 364 I HN 0.078 nan 8.210 nan 0.000 0.429 365 G N -0.164 108.423 108.800 -0.354 0.000 2.708 365 G HA2 -0.074 3.892 3.960 0.011 0.000 0.210 365 G HA3 -0.074 3.892 3.960 0.011 0.000 0.210 365 G C 1.244 176.047 174.900 -0.161 0.000 1.141 365 G CA 1.194 46.171 45.100 -0.205 0.000 0.788 365 G HN 0.336 nan 8.290 nan 0.000 0.531 366 T N -1.358 113.074 114.554 -0.203 0.000 3.250 366 T HA 0.132 4.488 4.350 0.011 0.000 0.265 366 T C 2.277 176.873 174.700 -0.173 0.000 0.973 366 T CA -0.276 61.721 62.100 -0.171 0.000 1.040 366 T CB 0.368 69.118 68.868 -0.197 0.000 1.167 366 T HN 0.007 nan 8.240 nan 0.000 0.471 367 R N 2.309 122.688 120.500 -0.203 0.000 2.048 367 R HA 0.238 4.584 4.340 0.011 0.000 0.224 367 R C 2.057 178.254 176.300 -0.171 0.000 1.163 367 R CA 1.018 57.007 56.100 -0.186 0.000 0.956 367 R CB -1.134 29.060 30.300 -0.176 0.000 0.849 367 R HN 0.304 nan 8.270 nan 0.000 0.435 368 N N 1.262 119.826 118.700 -0.227 0.000 2.084 368 N HA -0.108 4.638 4.740 0.011 0.000 0.190 368 N C 1.993 177.471 175.510 -0.052 0.000 1.030 368 N CA 1.167 54.101 53.050 -0.193 0.000 0.849 368 N CB -0.342 37.745 38.487 -0.666 0.000 1.012 368 N HN 0.171 nan 8.380 nan 0.000 0.423 369 L N -0.370 120.755 121.223 -0.164 0.000 2.270 369 L HA 0.043 4.390 4.340 0.011 0.000 0.210 369 L C 1.296 178.198 176.870 0.054 0.000 1.104 369 L CA 0.477 55.317 54.840 0.000 0.000 0.804 369 L CB 0.099 42.129 42.059 -0.049 0.000 0.937 369 L HN 0.197 nan 8.230 nan 0.000 0.450 370 C N -1.714 117.573 119.300 -0.023 0.000 3.228 370 C HA 0.190 4.656 4.460 0.011 0.000 0.290 370 C C 0.706 175.662 174.990 -0.057 0.000 1.301 370 C CA -0.927 58.081 59.018 -0.017 0.000 1.703 370 C CB -0.221 27.497 27.740 -0.036 0.000 2.141 370 C HN 0.282 nan 8.230 nan 0.000 0.656 371 D N 2.424 122.752 120.400 -0.119 0.000 2.423 371 D HA 0.087 4.734 4.640 0.011 0.000 0.238 371 D C -1.460 174.740 176.300 -0.166 0.000 1.142 371 D CA -1.119 52.747 54.000 -0.224 0.000 0.884 371 D CB 0.688 41.195 40.800 -0.488 0.000 1.199 371 D HN 0.105 nan 8.370 nan 0.000 0.438 372 P HA -0.113 nan 4.420 nan 0.000 0.220 372 P C 0.532 177.872 177.300 0.067 0.000 1.148 372 P CA 1.154 64.278 63.100 0.041 0.000 0.803 372 P CB 0.039 31.810 31.700 0.118 0.000 0.782 373 H N -2.671 116.407 119.070 0.014 0.000 2.537 373 H HA 0.381 4.944 4.556 0.011 0.000 0.295 373 H C 0.754 176.086 175.328 0.007 0.000 1.054 373 H CA -0.203 55.849 56.048 0.008 0.000 1.156 373 H CB 0.077 29.845 29.762 0.011 0.000 1.468 373 H HN -0.020 nan 8.280 nan 0.000 0.551 374 R N -0.218 120.213 120.500 -0.114 0.000 2.893 374 R HA 0.182 4.529 4.340 0.011 0.000 0.108 374 R C 1.066 177.312 176.300 -0.090 0.000 0.889 374 R CA -0.682 55.378 56.100 -0.066 0.000 0.627 374 R CB -0.834 29.457 30.300 -0.015 0.000 0.778 374 R HN 0.082 nan 8.270 nan 0.000 0.360 375 Y N 1.639 121.973 120.300 0.056 0.000 2.352 375 Y HA -0.009 4.548 4.550 0.011 0.000 0.292 375 Y C 0.655 176.585 175.900 0.050 0.000 1.136 375 Y CA 1.375 59.520 58.100 0.077 0.000 1.227 375 Y CB -0.265 38.288 38.460 0.154 0.000 0.991 375 Y HN 0.567 nan 8.280 nan 0.000 0.545 376 N N 0.834 119.617 118.700 0.137 0.000 2.667 376 N HA -0.222 4.525 4.740 0.011 0.000 0.263 376 N C 0.381 175.964 175.510 0.123 0.000 1.038 376 N CA 0.317 53.421 53.050 0.091 0.000 0.749 376 N CB -0.955 37.565 38.487 0.056 0.000 0.892 376 N HN 0.614 nan 8.380 nan 0.000 0.546 377 I N -2.308 118.349 120.570 0.146 0.000 3.928 377 I HA 0.088 4.265 4.170 0.011 0.000 0.335 377 I C 1.526 177.726 176.117 0.138 0.000 1.325 377 I CA -0.502 60.881 61.300 0.138 0.000 1.107 377 I CB 0.073 38.160 38.000 0.146 0.000 1.014 377 I HN 0.175 nan 8.210 nan 0.000 0.400 378 L N 1.654 122.968 121.223 0.152 0.000 2.013 378 L HA -0.201 4.145 4.340 0.011 0.000 0.212 378 L C 2.523 179.587 176.870 0.324 0.000 1.073 378 L CA 2.062 57.025 54.840 0.204 0.000 0.753 378 L CB -0.805 41.341 42.059 0.145 0.000 0.890 378 L HN 0.483 nan 8.230 nan 0.000 0.432 379 E N -1.064 119.316 120.200 0.301 0.000 2.072 379 E HA -0.207 4.149 4.350 0.011 0.000 0.191 379 E C 1.719 178.351 176.600 0.053 0.000 0.985 379 E CA 1.172 57.689 56.400 0.195 0.000 0.801 379 E CB 0.067 29.826 29.700 0.099 0.000 0.750 379 E HN 0.521 nan 8.360 nan 0.000 0.452 380 D N 0.187 120.616 120.400 0.049 0.000 2.104 380 D HA -0.163 4.483 4.640 0.011 0.000 0.194 380 D C 2.078 178.361 176.300 -0.028 0.000 0.994 380 D CA 1.147 55.142 54.000 -0.009 0.000 0.830 380 D CB -0.306 40.497 40.800 0.004 0.000 0.959 380 D HN 0.131 nan 8.370 nan 0.000 0.452 381 V N 1.507 121.451 119.914 0.050 0.000 2.490 381 V HA -0.192 3.934 4.120 0.011 0.000 0.250 381 V C 2.527 178.685 176.094 0.107 0.000 1.061 381 V CA 1.631 63.998 62.300 0.112 0.000 1.064 381 V CB -0.720 31.238 31.823 0.224 0.000 0.670 381 V HN 0.183 nan 8.190 nan 0.000 0.461 382 A N -0.368 122.529 122.820 0.129 0.000 1.929 382 A HA -0.108 4.218 4.320 0.011 0.000 0.216 382 A C 2.380 179.932 177.584 -0.054 0.000 1.176 382 A CA 1.656 53.769 52.037 0.126 0.000 0.628 382 A CB -0.533 18.634 19.000 0.279 0.000 0.816 382 A HN 0.319 nan 8.150 nan 0.000 0.444 383 V N -0.771 119.065 119.914 -0.131 0.000 2.407 383 V HA -0.309 3.818 4.120 0.011 0.000 0.248 383 V C 2.583 178.516 176.094 -0.267 0.000 1.055 383 V CA 2.063 64.246 62.300 -0.195 0.000 1.049 383 V CB -0.880 30.834 31.823 -0.183 0.000 0.662 383 V HN 0.721 nan 8.190 nan 0.000 0.455 384 C N -0.590 118.476 119.300 -0.391 0.000 2.435 384 C HA -0.084 4.383 4.460 0.011 0.000 0.279 384 C C 2.560 177.115 174.990 -0.725 0.000 1.321 384 C CA 0.773 59.307 59.018 -0.806 0.000 1.752 384 C CB -0.928 25.933 27.740 -1.465 0.000 1.959 384 C HN 0.516 nan 8.230 nan 0.000 0.500 385 M N 0.266 119.695 119.600 -0.284 0.000 2.618 385 M HA 0.040 4.526 4.480 0.011 0.000 0.240 385 M C 0.400 176.683 176.300 -0.028 0.000 1.123 385 M CA 0.775 56.087 55.300 0.021 0.000 1.060 385 M CB -0.475 32.238 32.600 0.188 0.000 1.535 385 M HN 0.256 nan 8.290 nan 0.000 0.507 386 D N 1.770 122.100 120.400 -0.117 0.000 2.697 386 D HA -0.158 4.488 4.640 0.011 0.000 0.238 386 D C -1.104 175.166 176.300 -0.051 0.000 1.152 386 D CA 0.513 54.455 54.000 -0.097 0.000 0.666 386 D CB -0.836 39.914 40.800 -0.083 0.000 1.037 386 D HN 0.317 nan 8.370 nan 0.000 0.423 387 L N 0.081 121.276 121.223 -0.046 0.000 2.352 387 L HA 0.412 4.759 4.340 0.011 0.000 0.269 387 L C 0.841 177.652 176.870 -0.100 0.000 1.034 387 L CA -1.026 53.810 54.840 -0.007 0.000 0.806 387 L CB 1.009 43.129 42.059 0.102 0.000 1.244 387 L HN 0.004 nan 8.230 nan 0.000 0.447 388 D N 0.737 121.097 120.400 -0.066 0.000 2.383 388 D HA 0.011 4.657 4.640 0.011 0.000 0.245 388 D C 0.986 177.083 176.300 -0.339 0.000 1.263 388 D CA -0.101 53.819 54.000 -0.133 0.000 0.936 388 D CB 0.784 41.565 40.800 -0.031 0.000 1.053 388 D HN 0.600 nan 8.370 nan 0.000 0.507 389 T N 0.646 114.819 114.554 -0.634 0.000 3.169 389 T HA 0.102 4.459 4.350 0.011 0.000 0.250 389 T C 1.280 175.621 174.700 -0.598 0.000 1.111 389 T CA -0.030 61.291 62.100 -1.297 0.000 1.010 389 T CB -0.024 68.016 68.868 -1.381 0.000 0.984 389 T HN 0.245 nan 8.240 nan 0.000 0.537 390 R N 0.579 120.916 120.500 -0.271 0.000 2.359 390 R HA 0.281 4.627 4.340 0.011 0.000 0.231 390 R C 0.275 176.581 176.300 0.010 0.000 0.913 390 R CA 0.041 56.080 56.100 -0.102 0.000 1.075 390 R CB 0.487 30.735 30.300 -0.085 0.000 1.087 390 R HN 0.320 nan 8.270 nan 0.000 0.515 391 T N -1.010 113.594 114.554 0.084 0.000 3.193 391 T HA 0.054 4.410 4.350 0.011 0.000 0.332 391 T C 0.987 175.867 174.700 0.300 0.000 1.208 391 T CA -0.559 61.634 62.100 0.156 0.000 1.080 391 T CB 1.542 70.466 68.868 0.093 0.000 1.180 391 T HN 0.190 nan 8.240 nan 0.000 0.469 392 T N 0.921 115.616 114.554 0.235 0.000 2.867 392 T HA -0.071 4.285 4.350 0.011 0.000 0.268 392 T C 2.085 176.847 174.700 0.104 0.000 1.057 392 T CA 1.553 63.755 62.100 0.170 0.000 1.136 392 T CB -0.588 68.323 68.868 0.072 0.000 0.874 392 T HN 0.746 nan 8.240 nan 0.000 0.466 393 S N 1.995 117.752 115.700 0.095 0.000 2.584 393 S HA -0.024 4.453 4.470 0.011 0.000 0.240 393 S C 1.890 176.539 174.600 0.081 0.000 0.975 393 S CA 0.621 58.860 58.200 0.066 0.000 0.949 393 S CB -0.888 62.343 63.200 0.052 0.000 0.761 393 S HN 0.751 nan 8.310 nan 0.000 0.536 394 S N 1.103 116.886 115.700 0.138 0.000 2.556 394 S HA 0.316 4.792 4.470 0.011 0.000 0.216 394 S C 0.832 175.515 174.600 0.138 0.000 0.970 394 S CA -0.200 58.089 58.200 0.148 0.000 0.912 394 S CB -0.874 62.444 63.200 0.197 0.000 0.790 394 S HN 0.577 nan 8.310 nan 0.000 0.504 395 L N 1.370 122.637 121.223 0.073 0.000 3.737 395 L HA -0.186 4.160 4.340 0.011 0.000 0.418 395 L C 1.695 178.565 176.870 -0.001 0.000 1.216 395 L CA 0.709 55.532 54.840 -0.027 0.000 0.915 395 L CB -2.347 39.707 42.059 -0.008 0.000 1.834 395 L HN 0.737 nan 8.230 nan 0.000 0.943 396 W N -0.053 121.257 121.300 0.017 0.000 2.374 396 W HA -0.149 4.518 4.660 0.011 0.000 0.288 396 W C 1.735 178.270 176.519 0.026 0.000 1.218 396 W CA 1.277 58.635 57.345 0.021 0.000 1.245 396 W CB -0.691 28.777 29.460 0.014 0.000 1.126 396 W HN 0.288 nan 8.180 nan 0.000 0.545 397 K N 1.010 120.969 120.400 -0.735 0.000 2.057 397 K HA -0.147 4.180 4.320 0.011 0.000 0.206 397 K C 1.539 177.993 176.600 -0.244 0.000 1.050 397 K CA 2.249 58.143 56.287 -0.654 0.000 0.935 397 K CB -0.314 31.645 32.500 -0.902 0.000 0.715 397 K HN 0.019 nan 8.250 nan 0.000 0.439 398 D N 0.698 120.981 120.400 -0.196 0.000 2.117 398 D HA -0.121 4.525 4.640 0.011 0.000 0.197 398 D C 1.630 177.919 176.300 -0.018 0.000 0.987 398 D CA 1.186 55.130 54.000 -0.094 0.000 0.829 398 D CB 0.049 40.804 40.800 -0.075 0.000 0.961 398 D HN 0.109 nan 8.370 nan 0.000 0.460 399 K N 0.477 120.891 120.400 0.024 0.000 2.025 399 K HA -0.006 4.321 4.320 0.011 0.000 0.207 399 K C 2.205 178.870 176.600 0.108 0.000 1.049 399 K CA 1.155 57.488 56.287 0.077 0.000 0.933 399 K CB -0.153 32.414 32.500 0.111 0.000 0.714 399 K HN 0.087 nan 8.250 nan 0.000 0.438 400 A N 1.532 124.434 122.820 0.137 0.000 1.898 400 A HA -0.068 4.258 4.320 0.011 0.000 0.216 400 A C 2.379 180.048 177.584 0.142 0.000 1.181 400 A CA 1.679 53.827 52.037 0.184 0.000 0.620 400 A CB -0.649 18.494 19.000 0.238 0.000 0.819 400 A HN 0.324 nan 8.150 nan 0.000 0.442 401 A N -0.488 122.371 122.820 0.066 0.000 1.940 401 A HA -0.033 4.294 4.320 0.011 0.000 0.219 401 A C 2.234 179.838 177.584 0.034 0.000 1.176 401 A CA 1.863 53.916 52.037 0.027 0.000 0.631 401 A CB -0.902 18.073 19.000 -0.042 0.000 0.814 401 A HN 0.368 nan 8.150 nan 0.000 0.446 402 V N 0.170 120.111 119.914 0.044 0.000 2.261 402 V HA -0.209 3.917 4.120 0.011 0.000 0.246 402 V C 2.621 178.762 176.094 0.078 0.000 1.047 402 V CA 2.174 64.507 62.300 0.054 0.000 1.015 402 V CB -0.696 31.163 31.823 0.061 0.000 0.642 402 V HN 0.512 nan 8.190 nan 0.000 0.446 403 E N 0.012 120.285 120.200 0.123 0.000 2.085 403 E HA -0.179 4.177 4.350 0.011 0.000 0.194 403 E C 2.113 178.795 176.600 0.136 0.000 0.994 403 E CA 1.387 57.894 56.400 0.178 0.000 0.801 403 E CB -0.437 29.376 29.700 0.188 0.000 0.743 403 E HN 0.577 nan 8.360 nan 0.000 0.453 404 I N 1.559 122.236 120.570 0.179 0.000 2.264 404 I HA -0.276 3.900 4.170 0.011 0.000 0.248 404 I C 2.145 178.268 176.117 0.010 0.000 1.111 404 I CA 0.892 62.302 61.300 0.184 0.000 1.382 404 I CB -0.291 37.857 38.000 0.247 0.000 1.060 404 I HN 0.101 nan 8.210 nan 0.000 0.418 405 N N 0.567 119.264 118.700 -0.004 0.000 2.188 405 N HA -0.154 4.593 4.740 0.011 0.000 0.184 405 N C 1.885 177.357 175.510 -0.064 0.000 1.018 405 N CA 1.070 54.092 53.050 -0.046 0.000 0.858 405 N CB -0.091 38.384 38.487 -0.020 0.000 0.989 405 N HN 0.203 nan 8.380 nan 0.000 0.426 406 L N 1.642 122.824 121.223 -0.068 0.000 2.083 406 L HA -0.012 4.334 4.340 0.011 0.000 0.209 406 L C 2.217 178.954 176.870 -0.222 0.000 1.083 406 L CA 1.363 56.124 54.840 -0.133 0.000 0.752 406 L CB -0.977 40.983 42.059 -0.165 0.000 0.899 406 L HN 0.036 nan 8.230 nan 0.000 0.433 407 A N -1.107 121.524 122.820 -0.314 0.000 1.902 407 A HA -0.149 4.177 4.320 0.011 0.000 0.217 407 A C 2.261 179.750 177.584 -0.158 0.000 1.181 407 A CA 2.030 53.815 52.037 -0.420 0.000 0.623 407 A CB -1.058 17.382 19.000 -0.933 0.000 0.818 407 A HN 0.307 nan 8.150 nan 0.000 0.443 408 V N 0.054 119.901 119.914 -0.111 0.000 2.295 408 V HA -0.262 3.864 4.120 0.011 0.000 0.246 408 V C 2.568 178.659 176.094 -0.005 0.000 1.049 408 V CA 1.940 64.218 62.300 -0.036 0.000 1.024 408 V CB -0.845 30.870 31.823 -0.179 0.000 0.648 408 V HN 0.563 nan 8.190 nan 0.000 0.447 409 L N -0.414 120.769 121.223 -0.067 0.000 1.989 409 L HA -0.261 4.085 4.340 0.011 0.000 0.211 409 L C 2.660 179.548 176.870 0.030 0.000 1.071 409 L CA 2.432 57.247 54.840 -0.041 0.000 0.749 409 L CB -0.832 41.203 42.059 -0.040 0.000 0.890 409 L HN 0.470 nan 8.230 nan 0.000 0.431 410 H N -0.590 118.427 119.070 -0.089 0.000 2.387 410 H HA -0.141 4.422 4.556 0.011 0.000 0.299 410 H C 2.265 177.569 175.328 -0.040 0.000 1.099 410 H CA 1.857 57.845 56.048 -0.099 0.000 1.315 410 H CB 0.158 29.794 29.762 -0.211 0.000 1.380 410 H HN 0.179 nan 8.280 nan 0.000 0.513 411 S N -0.861 114.855 115.700 0.027 0.000 2.436 411 S HA -0.030 4.446 4.470 0.011 0.000 0.228 411 S C 1.675 176.278 174.600 0.004 0.000 1.014 411 S CA 0.789 58.990 58.200 0.003 0.000 0.950 411 S CB -0.167 63.085 63.200 0.086 0.000 0.784 411 S HN 0.391 nan 8.310 nan 0.000 0.504 412 F N 1.745 121.633 119.950 -0.104 0.000 2.270 412 F HA 0.019 4.552 4.527 0.010 0.000 0.295 412 F C 2.676 178.417 175.800 -0.099 0.000 1.087 412 F CA 0.550 58.509 58.000 -0.068 0.000 1.365 412 F CB -0.166 38.817 39.000 -0.028 0.000 1.056 412 F HN 0.134 nan 8.300 nan 0.000 0.506 413 Q N 0.311 120.140 119.800 0.049 0.000 2.084 413 Q HA -0.224 4.122 4.340 0.011 0.000 0.202 413 Q C 2.284 178.212 176.000 -0.119 0.000 0.978 413 Q CA 1.528 57.300 55.803 -0.050 0.000 0.844 413 Q CB -0.275 28.409 28.738 -0.090 0.000 0.898 413 Q HN 0.476 nan 8.270 nan 0.000 0.426 414 L N -0.075 121.020 121.223 -0.212 0.000 2.056 414 L HA -0.083 4.263 4.340 0.011 0.000 0.207 414 L C 1.877 178.663 176.870 -0.139 0.000 1.078 414 L CA 1.023 55.734 54.840 -0.215 0.000 0.749 414 L CB -0.188 41.679 42.059 -0.320 0.000 0.901 414 L HN 0.157 nan 8.230 nan 0.000 0.433 415 A N -1.106 121.630 122.820 -0.140 0.000 2.252 415 A HA -0.039 4.288 4.320 0.011 0.000 0.207 415 A C 0.782 178.305 177.584 -0.102 0.000 1.194 415 A CA 0.054 52.012 52.037 -0.132 0.000 0.809 415 A CB -0.181 18.701 19.000 -0.197 0.000 0.814 415 A HN 0.433 nan 8.150 nan 0.000 0.482 416 K N -1.377 118.976 120.400 -0.078 0.000 3.069 416 K HA -0.140 4.186 4.320 0.011 0.000 0.267 416 K C -0.296 176.283 176.600 -0.034 0.000 1.082 416 K CA 0.836 57.091 56.287 -0.054 0.000 0.782 416 K CB -2.784 29.683 32.500 -0.055 0.000 1.230 416 K HN 0.329 nan 8.250 nan 0.000 0.488 417 V N 1.047 120.955 119.914 -0.010 0.000 2.532 417 V HA 0.212 4.338 4.120 0.011 0.000 0.295 417 V C 0.927 177.113 176.094 0.152 0.000 1.041 417 V CA -0.613 61.721 62.300 0.056 0.000 0.926 417 V CB 1.963 33.781 31.823 -0.008 0.000 0.992 417 V HN 0.240 nan 8.190 nan 0.000 0.457 418 T N 6.006 120.624 114.554 0.107 0.000 2.888 418 T HA 0.503 4.860 4.350 0.011 0.000 0.301 418 T C -0.278 174.508 174.700 0.144 0.000 1.001 418 T CA 0.585 62.679 62.100 -0.010 0.000 1.147 418 T CB 0.114 68.852 68.868 -0.217 0.000 0.931 418 T HN 0.552 nan 8.240 nan 0.000 0.541 419 I N 2.445 123.027 120.570 0.020 0.000 2.828 419 I HA 0.594 4.770 4.170 0.011 0.000 0.295 419 I C -1.686 174.444 176.117 0.021 0.000 1.459 419 I CA -0.893 60.443 61.300 0.059 0.000 1.015 419 I CB 1.871 39.817 38.000 -0.089 0.000 1.345 419 I HN 0.453 nan 8.210 nan 0.000 0.449 420 V N 5.550 125.528 119.914 0.108 0.000 2.709 420 V HA 0.497 4.623 4.120 0.011 0.000 0.308 420 V C -1.159 174.978 176.094 0.072 0.000 1.062 420 V CA -0.273 62.089 62.300 0.104 0.000 0.901 420 V CB 2.272 34.233 31.823 0.231 0.000 1.003 420 V HN 0.884 nan 8.190 nan 0.000 0.425 421 D N 3.888 124.307 120.400 0.031 0.000 2.354 421 D HA 0.205 4.851 4.640 0.011 0.000 0.247 421 D C 1.308 177.604 176.300 -0.007 0.000 1.138 421 D CA 0.114 54.118 54.000 0.008 0.000 0.958 421 D CB 0.443 41.211 40.800 -0.053 0.000 1.144 421 D HN 0.742 nan 8.370 nan 0.000 0.458 422 H N -0.377 118.649 119.070 -0.073 0.000 2.489 422 H HA -0.149 4.413 4.556 0.011 0.000 0.293 422 H C 0.947 176.181 175.328 -0.156 0.000 1.066 422 H CA 1.304 57.266 56.048 -0.144 0.000 1.305 422 H CB -0.534 29.084 29.762 -0.241 0.000 1.386 422 H HN 0.513 nan 8.280 nan 0.000 0.551 423 H N 1.229 120.097 119.070 -0.337 0.000 2.268 423 H HA 0.133 4.695 4.556 0.010 0.000 0.304 423 H C 2.603 177.905 175.328 -0.043 0.000 1.064 423 H CA 1.325 57.272 56.048 -0.169 0.000 1.316 423 H CB -0.396 29.230 29.762 -0.228 0.000 1.386 423 H HN 0.472 nan 8.280 nan 0.000 0.496 424 A N 1.630 124.505 122.820 0.091 0.000 1.883 424 A HA -0.183 4.144 4.320 0.011 0.000 0.217 424 A C 2.692 180.342 177.584 0.109 0.000 1.186 424 A CA 2.154 54.242 52.037 0.084 0.000 0.624 424 A CB -1.014 18.023 19.000 0.061 0.000 0.822 424 A HN 0.464 nan 8.150 nan 0.000 0.444 425 A N -0.186 122.698 122.820 0.107 0.000 1.849 425 A HA -0.186 4.140 4.320 0.011 0.000 0.217 425 A C 2.516 180.194 177.584 0.157 0.000 1.202 425 A CA 3.269 55.390 52.037 0.139 0.000 0.629 425 A CB -1.744 17.325 19.000 0.115 0.000 0.834 425 A HN 0.906 nan 8.150 nan 0.000 0.447 426 T N -2.128 112.500 114.554 0.122 0.000 2.737 426 T HA -0.159 4.197 4.350 0.011 0.000 0.269 426 T C 1.682 176.510 174.700 0.214 0.000 1.040 426 T CA 1.692 63.887 62.100 0.160 0.000 1.142 426 T CB -1.016 67.914 68.868 0.102 0.000 0.861 426 T HN 0.088 nan 8.240 nan 0.000 0.456 427 V N 2.779 122.793 119.914 0.166 0.000 2.332 427 V HA -0.189 3.938 4.120 0.011 0.000 0.248 427 V C 3.192 179.380 176.094 0.157 0.000 1.055 427 V CA 2.182 64.572 62.300 0.151 0.000 1.038 427 V CB -1.039 30.854 31.823 0.116 0.000 0.651 427 V HN 0.831 nan 8.190 nan 0.000 0.450 428 S N -0.511 115.291 115.700 0.170 0.000 2.447 428 S HA -0.184 4.293 4.470 0.011 0.000 0.233 428 S C 1.876 176.604 174.600 0.213 0.000 1.006 428 S CA 1.379 59.681 58.200 0.170 0.000 0.957 428 S CB -0.667 62.638 63.200 0.176 0.000 0.773 428 S HN 0.541 nan 8.310 nan 0.000 0.507 429 F N 1.754 121.772 119.950 0.113 0.000 2.367 429 F HA 0.255 4.788 4.527 0.010 0.000 0.298 429 F C 2.104 177.993 175.800 0.149 0.000 1.094 429 F CA 0.683 58.764 58.000 0.135 0.000 1.409 429 F CB -0.226 38.833 39.000 0.098 0.000 1.064 429 F HN 0.091 nan 8.300 nan 0.000 0.528 430 M N 0.040 119.718 119.600 0.131 0.000 2.175 430 M HA -0.122 4.364 4.480 0.011 0.000 0.264 430 M C 2.185 178.464 176.300 -0.034 0.000 1.063 430 M CA 1.312 56.638 55.300 0.043 0.000 1.119 430 M CB -1.100 31.567 32.600 0.112 0.000 1.377 430 M HN 0.048 nan 8.290 nan 0.000 0.415 431 K N -0.167 120.242 120.400 0.015 0.000 2.097 431 K HA -0.194 4.133 4.320 0.011 0.000 0.205 431 K C 1.959 178.542 176.600 -0.029 0.000 1.050 431 K CA 1.717 58.009 56.287 0.008 0.000 0.938 431 K CB -0.663 31.867 32.500 0.050 0.000 0.718 431 K HN 0.382 nan 8.250 nan 0.000 0.442 432 H N -0.035 118.945 119.070 -0.149 0.000 2.387 432 H HA 0.032 4.594 4.556 0.011 0.000 0.299 432 H C 1.687 176.842 175.328 -0.288 0.000 1.090 432 H CA 2.013 57.940 56.048 -0.202 0.000 1.332 432 H CB -0.113 29.491 29.762 -0.264 0.000 1.386 432 H HN 0.169 nan 8.280 nan 0.000 0.516 433 L N -0.295 120.637 121.223 -0.485 0.000 2.046 433 L HA -0.153 4.194 4.340 0.011 0.000 0.208 433 L C 2.257 178.963 176.870 -0.273 0.000 1.077 433 L CA 1.932 56.510 54.840 -0.437 0.000 0.747 433 L CB -0.422 41.452 42.059 -0.307 0.000 0.896 433 L HN 0.396 nan 8.230 nan 0.000 0.432 434 D N -0.411 119.880 120.400 -0.182 0.000 2.144 434 D HA -0.170 4.476 4.640 0.011 0.000 0.200 434 D C 1.895 178.122 176.300 -0.123 0.000 0.978 434 D CA 0.951 54.882 54.000 -0.115 0.000 0.833 434 D CB 0.188 40.949 40.800 -0.065 0.000 0.961 434 D HN 0.171 nan 8.370 nan 0.000 0.470 435 N N 0.537 119.147 118.700 -0.149 0.000 2.106 435 N HA -0.119 4.628 4.740 0.011 0.000 0.188 435 N C 1.539 176.954 175.510 -0.158 0.000 1.029 435 N CA 0.847 53.829 53.050 -0.114 0.000 0.848 435 N CB -0.297 38.151 38.487 -0.066 0.000 1.007 435 N HN 0.267 nan 8.380 nan 0.000 0.423 436 E N 0.580 120.598 120.200 -0.303 0.000 2.268 436 E HA -0.148 4.208 4.350 0.011 0.000 0.195 436 E C 1.761 178.256 176.600 -0.174 0.000 0.995 436 E CA 0.490 56.719 56.400 -0.285 0.000 0.836 436 E CB -0.049 29.374 29.700 -0.462 0.000 0.763 436 E HN 0.320 nan 8.360 nan 0.000 0.491 437 Q N 1.452 121.161 119.800 -0.152 0.000 2.084 437 Q HA -0.111 4.236 4.340 0.011 0.000 0.202 437 Q C 1.744 177.698 176.000 -0.078 0.000 0.978 437 Q CA 1.620 57.364 55.803 -0.097 0.000 0.844 437 Q CB 0.053 28.743 28.738 -0.080 0.000 0.898 437 Q HN 0.162 nan 8.270 nan 0.000 0.426 438 K N -0.885 119.470 120.400 -0.074 0.000 2.031 438 K HA 0.047 4.374 4.320 0.011 0.000 0.205 438 K C 2.002 178.573 176.600 -0.049 0.000 1.049 438 K CA 1.032 57.287 56.287 -0.053 0.000 0.939 438 K CB -0.156 32.319 32.500 -0.042 0.000 0.717 438 K HN 0.203 nan 8.250 nan 0.000 0.438 439 A N 1.258 124.047 122.820 -0.051 0.000 1.970 439 A HA -0.048 4.279 4.320 0.011 0.000 0.216 439 A C 1.756 179.313 177.584 -0.046 0.000 1.170 439 A CA 1.036 53.052 52.037 -0.034 0.000 0.645 439 A CB 0.012 19.008 19.000 -0.008 0.000 0.816 439 A HN 0.168 nan 8.150 nan 0.000 0.447 440 R N -2.695 117.764 120.500 -0.068 0.000 2.544 440 R HA 0.252 4.598 4.340 0.011 0.000 0.303 440 R C 0.809 177.070 176.300 -0.064 0.000 0.939 440 R CA 0.524 56.587 56.100 -0.062 0.000 1.102 440 R CB 0.673 30.931 30.300 -0.070 0.000 1.440 440 R HN 0.678 nan 8.270 nan 0.000 0.532 441 G N 1.078 109.834 108.800 -0.073 0.000 2.149 441 G HA2 -0.144 3.823 3.960 0.011 0.000 0.235 441 G HA3 -0.144 3.823 3.960 0.011 0.000 0.235 441 G C 0.222 175.091 174.900 -0.052 0.000 1.018 441 G CA 0.086 45.137 45.100 -0.082 0.000 0.728 441 G HN 0.739 nan 8.290 nan 0.000 0.508 442 G N -2.397 106.381 108.800 -0.037 0.000 2.368 442 G HA2 0.520 4.486 3.960 0.011 0.000 0.302 442 G HA3 0.520 4.486 3.960 0.011 0.000 0.302 442 G C -0.704 174.204 174.900 0.013 0.000 1.329 442 G CA 0.396 45.507 45.100 0.017 0.000 0.935 442 G HN 1.999 nan 8.290 nan 0.000 0.590 443 C N 1.874 121.207 119.300 0.055 0.000 2.716 443 C HA 0.764 5.231 4.460 0.011 0.000 0.366 443 C C -2.528 172.436 174.990 -0.043 0.000 1.073 443 C CA -1.180 57.828 59.018 -0.017 0.000 1.260 443 C CB 1.571 29.239 27.740 -0.119 0.000 1.755 443 C HN 0.725 nan 8.230 nan 0.000 0.475 444 P HA 0.417 nan 4.420 nan 0.000 0.276 444 P C -0.740 176.450 177.300 -0.184 0.000 1.264 444 P CA 0.483 63.205 63.100 -0.630 0.000 0.769 444 P CB 1.071 32.129 31.700 -1.071 0.000 0.840 445 A N 2.957 125.745 122.820 -0.053 0.000 2.449 445 A HA 0.425 4.752 4.320 0.011 0.000 0.302 445 A C -0.883 176.749 177.584 0.080 0.000 1.048 445 A CA -0.580 51.511 52.037 0.090 0.000 0.708 445 A CB 1.289 20.460 19.000 0.285 0.000 1.274 445 A HN 0.433 nan 8.150 nan 0.000 0.410 446 D N 1.991 122.426 120.400 0.058 0.000 2.456 446 D HA 0.125 4.771 4.640 0.011 0.000 0.219 446 D C 0.782 177.198 176.300 0.193 0.000 1.126 446 D CA -0.431 53.636 54.000 0.111 0.000 0.890 446 D CB 0.344 41.155 40.800 0.018 0.000 1.025 446 D HN 0.591 nan 8.370 nan 0.000 0.511 447 W N 4.264 125.605 121.300 0.069 0.000 2.301 447 W HA -0.334 4.332 4.660 0.011 0.000 0.325 447 W C 2.109 178.664 176.519 0.060 0.000 1.250 447 W CA 2.753 60.125 57.345 0.045 0.000 1.261 447 W CB -0.246 29.217 29.460 0.004 0.000 1.157 447 W HN 0.565 nan 8.180 nan 0.000 0.473 448 A N -1.336 121.720 122.820 0.392 0.000 2.032 448 A HA -0.238 4.088 4.320 0.011 0.000 0.221 448 A C 1.557 179.165 177.584 0.041 0.000 1.165 448 A CA 1.843 54.023 52.037 0.238 0.000 0.645 448 A CB -1.345 17.844 19.000 0.315 0.000 0.807 448 A HN 0.560 nan 8.150 nan 0.000 0.453 449 W N -0.960 120.291 121.300 -0.081 0.000 2.704 449 W HA 0.181 4.847 4.660 0.010 0.000 0.266 449 W C 1.897 178.287 176.519 -0.215 0.000 1.266 449 W CA -0.002 57.276 57.345 -0.112 0.000 1.377 449 W CB -0.052 29.372 29.460 -0.060 0.000 1.082 449 W HN 0.144 nan 8.180 nan 0.000 0.608 450 I N -0.202 120.304 120.570 -0.106 0.000 2.353 450 I HA -0.074 4.103 4.170 0.011 0.000 0.248 450 I C 0.686 176.590 176.117 -0.356 0.000 1.119 450 I CA 0.780 61.896 61.300 -0.307 0.000 1.417 450 I CB -1.465 36.284 38.000 -0.419 0.000 1.078 450 I HN -0.415 nan 8.210 nan 0.000 0.421 451 V N 3.838 123.451 119.914 -0.501 0.000 2.572 451 V HA 0.074 4.200 4.120 0.011 0.000 0.291 451 V C -1.899 174.012 176.094 -0.304 0.000 1.039 451 V CA -1.033 60.985 62.300 -0.471 0.000 1.055 451 V CB 0.206 31.552 31.823 -0.795 0.000 0.969 451 V HN 0.131 nan 8.190 nan 0.000 0.482 452 P HA 0.122 nan 4.420 nan 0.000 0.269 452 P C -1.840 175.313 177.300 -0.245 0.000 1.215 452 P CA -1.125 61.835 63.100 -0.233 0.000 0.780 452 P CB 0.025 31.582 31.700 -0.240 0.000 0.898 453 P HA -0.006 nan 4.420 nan 0.000 0.239 453 P C 0.087 177.256 177.300 -0.219 0.000 1.184 453 P CA 1.108 64.072 63.100 -0.226 0.000 0.760 453 P CB -0.042 31.521 31.700 -0.228 0.000 0.884 454 I N -6.862 113.536 120.570 -0.288 0.000 2.802 454 I HA 0.440 4.616 4.170 0.011 0.000 0.298 454 I C -0.341 175.616 176.117 -0.266 0.000 1.176 454 I CA -1.180 59.964 61.300 -0.260 0.000 1.025 454 I CB 2.101 39.934 38.000 -0.278 0.000 1.243 454 I HN -0.390 nan 8.210 nan 0.000 0.424 455 S N 2.369 117.981 115.700 -0.148 0.000 3.635 455 S HA -0.181 4.295 4.470 0.011 0.000 0.328 455 S C 1.353 175.888 174.600 -0.109 0.000 1.135 455 S CA 0.820 58.971 58.200 -0.082 0.000 0.942 455 S CB -1.757 61.461 63.200 0.029 0.000 0.930 455 S HN 1.365 nan 8.310 nan 0.000 0.512 456 G N 2.660 111.374 108.800 -0.142 0.000 2.812 456 G HA2 -0.375 3.591 3.960 0.011 0.000 0.218 456 G HA3 -0.375 3.591 3.960 0.011 0.000 0.218 456 G C 1.486 176.189 174.900 -0.329 0.000 1.287 456 G CA 1.909 46.932 45.100 -0.129 0.000 0.796 456 G HN 1.432 nan 8.290 nan 0.000 0.649 457 S N 0.448 115.577 115.700 -0.952 0.000 2.537 457 S HA 0.107 4.584 4.470 0.011 0.000 0.240 457 S C 2.137 176.660 174.600 -0.129 0.000 0.981 457 S CA 0.999 58.579 58.200 -1.033 0.000 0.948 457 S CB -0.228 62.285 63.200 -1.146 0.000 0.759 457 S HN 0.343 nan 8.310 nan 0.000 0.531 458 L N 1.815 122.998 121.223 -0.067 0.000 2.478 458 L HA 0.101 4.447 4.340 0.011 0.000 0.223 458 L C 1.326 178.302 176.870 0.176 0.000 1.140 458 L CA 0.651 55.546 54.840 0.092 0.000 0.842 458 L CB -0.953 41.187 42.059 0.134 0.000 0.953 458 L HN 0.509 nan 8.230 nan 0.000 0.452 459 T N -4.212 110.427 114.554 0.142 0.000 2.929 459 T HA 0.297 4.653 4.350 0.011 0.000 0.284 459 T C -1.620 173.247 174.700 0.279 0.000 1.014 459 T CA -1.988 60.218 62.100 0.176 0.000 1.051 459 T CB 1.911 70.828 68.868 0.082 0.000 1.028 459 T HN -0.186 nan 8.240 nan 0.000 0.485 460 P HA -0.083 nan 4.420 nan 0.000 0.219 460 P C 1.837 179.353 177.300 0.360 0.000 1.150 460 P CA 1.087 64.386 63.100 0.332 0.000 0.814 460 P CB -0.348 31.489 31.700 0.228 0.000 0.787 461 V N -3.221 116.852 119.914 0.264 0.000 2.490 461 V HA -0.219 3.907 4.120 0.011 0.000 0.250 461 V C 2.388 178.622 176.094 0.234 0.000 1.061 461 V CA 1.410 63.845 62.300 0.225 0.000 1.064 461 V CB -2.370 29.503 31.823 0.084 0.000 0.670 461 V HN -0.103 nan 8.190 nan 0.000 0.461 462 F N 1.404 121.370 119.950 0.026 0.000 2.250 462 F HA -0.160 4.373 4.527 0.010 0.000 0.301 462 F C 2.358 178.236 175.800 0.129 0.000 1.077 462 F CA 2.123 60.148 58.000 0.042 0.000 1.348 462 F CB -0.168 38.734 39.000 -0.162 0.000 1.040 462 F HN 0.292 nan 8.300 nan 0.000 0.509 463 H N -1.287 118.118 119.070 0.558 0.000 2.551 463 H HA 0.126 4.689 4.556 0.011 0.000 0.271 463 H C 0.284 175.858 175.328 0.409 0.000 0.984 463 H CA 0.130 56.455 56.048 0.462 0.000 1.164 463 H CB 0.013 30.019 29.762 0.406 0.000 1.437 463 H HN 0.227 nan 8.280 nan 0.000 0.550 464 Q N 2.120 122.195 119.800 0.459 0.000 2.331 464 Q HA 0.154 4.501 4.340 0.011 0.000 0.257 464 Q C -0.529 175.701 176.000 0.384 0.000 0.957 464 Q CA -0.339 55.689 55.803 0.375 0.000 0.923 464 Q CB 0.701 29.633 28.738 0.323 0.000 1.212 464 Q HN 0.237 nan 8.270 nan 0.000 0.443 465 E N 3.217 123.588 120.200 0.285 0.000 2.408 465 E HA 0.282 4.638 4.350 0.011 0.000 0.259 465 E C -0.450 176.284 176.600 0.224 0.000 1.110 465 E CA 0.259 56.775 56.400 0.193 0.000 0.929 465 E CB 0.805 30.597 29.700 0.154 0.000 0.971 465 E HN 0.596 nan 8.360 nan 0.000 0.438 466 M N 1.164 120.892 119.600 0.214 0.000 2.484 466 M HA 0.350 4.836 4.480 0.011 0.000 0.289 466 M C -1.301 175.105 176.300 0.177 0.000 1.206 466 M CA -0.956 54.483 55.300 0.233 0.000 0.892 466 M CB 2.401 35.204 32.600 0.339 0.000 1.712 466 M HN 0.154 nan 8.290 nan 0.000 0.462 467 V N 1.921 121.945 119.914 0.183 0.000 2.398 467 V HA 0.382 4.508 4.120 0.011 0.000 0.286 467 V C -0.524 175.681 176.094 0.185 0.000 1.026 467 V CA -0.640 61.790 62.300 0.217 0.000 0.868 467 V CB 1.555 33.557 31.823 0.299 0.000 0.982 467 V HN 0.858 nan 8.190 nan 0.000 0.443 468 N N 3.676 122.473 118.700 0.162 0.000 2.400 468 N HA 0.702 5.448 4.740 0.011 0.000 0.288 468 N C -1.579 174.012 175.510 0.135 0.000 1.024 468 N CA -0.435 52.633 53.050 0.029 0.000 0.894 468 N CB 1.653 40.165 38.487 0.041 0.000 1.173 468 N HN 0.721 nan 8.380 nan 0.000 0.487 469 Y N 0.713 121.033 120.300 0.033 0.000 2.713 469 Y HA 0.496 5.053 4.550 0.011 0.000 0.335 469 Y C -1.476 174.428 175.900 0.007 0.000 1.222 469 Y CA -1.163 56.950 58.100 0.023 0.000 1.061 469 Y CB 0.709 39.187 38.460 0.031 0.000 1.314 469 Y HN 0.178 nan 8.280 nan 0.000 0.453 470 I N 3.445 124.130 120.570 0.190 0.000 2.321 470 I HA 0.436 4.612 4.170 0.011 0.000 0.291 470 I C -0.731 175.468 176.117 0.137 0.000 0.998 470 I CA -0.534 60.817 61.300 0.086 0.000 1.227 470 I CB 1.124 39.152 38.000 0.048 0.000 1.368 470 I HN 0.433 nan 8.210 nan 0.000 0.466 471 L N 4.969 126.237 121.223 0.074 0.000 2.354 471 L HA 0.550 4.897 4.340 0.011 0.000 0.269 471 L C -0.152 176.724 176.870 0.011 0.000 1.005 471 L CA -0.538 54.349 54.840 0.079 0.000 0.819 471 L CB 2.179 44.291 42.059 0.088 0.000 1.311 471 L HN 0.517 nan 8.230 nan 0.000 0.423 472 S N 1.840 117.555 115.700 0.025 0.000 2.513 472 S HA 0.644 5.120 4.470 0.011 0.000 0.299 472 S C -2.517 172.103 174.600 0.034 0.000 1.087 472 S CA -1.402 56.798 58.200 -0.001 0.000 1.012 472 S CB 1.866 65.079 63.200 0.023 0.000 1.044 472 S HN 0.246 nan 8.310 nan 0.000 0.485 473 P HA 0.378 nan 4.420 nan 0.000 0.271 473 P C -1.103 176.072 177.300 -0.209 0.000 1.228 473 P CA 0.110 63.115 63.100 -0.158 0.000 0.797 473 P CB 0.350 31.907 31.700 -0.239 0.000 0.914 474 A N -0.252 122.375 122.820 -0.322 0.000 2.549 474 A HA 0.604 4.930 4.320 0.011 0.000 0.291 474 A C -1.839 175.478 177.584 -0.445 0.000 1.034 474 A CA -0.546 51.300 52.037 -0.318 0.000 0.655 474 A CB 0.373 19.283 19.000 -0.150 0.000 1.299 474 A HN 0.277 nan 8.150 nan 0.000 0.427 475 F N 0.955 120.814 119.950 -0.151 0.000 2.427 475 F HA 0.696 5.229 4.527 0.010 0.000 0.346 475 F C 0.942 176.627 175.800 -0.192 0.000 1.120 475 F CA -0.056 57.858 58.000 -0.142 0.000 1.033 475 F CB 1.939 40.830 39.000 -0.181 0.000 1.126 475 F HN 0.550 nan 8.300 nan 0.000 0.462 476 R N 1.573 122.083 120.500 0.017 0.000 2.854 476 R HA 0.499 4.845 4.340 0.011 0.000 0.271 476 R C -1.491 174.779 176.300 -0.050 0.000 0.996 476 R CA -1.218 54.827 56.100 -0.091 0.000 0.961 476 R CB 1.601 31.882 30.300 -0.031 0.000 1.182 476 R HN 0.410 nan 8.270 nan 0.000 0.479 477 Y N 1.313 121.628 120.300 0.026 0.000 2.301 477 Y HA 0.154 4.710 4.550 0.011 0.000 0.328 477 Y C 0.483 176.377 175.900 -0.009 0.000 1.242 477 Y CA -0.201 57.905 58.100 0.010 0.000 1.323 477 Y CB 0.956 39.410 38.460 -0.010 0.000 1.266 477 Y HN 0.437 nan 8.280 nan 0.000 0.527 478 Q N 1.692 121.581 119.800 0.149 0.000 2.379 478 Q HA 0.629 4.975 4.340 0.011 0.000 0.278 478 Q C -3.121 172.842 176.000 -0.062 0.000 1.068 478 Q CA -2.449 53.373 55.803 0.031 0.000 0.816 478 Q CB 2.108 30.857 28.738 0.018 0.000 1.387 478 Q HN 0.284 nan 8.270 nan 0.000 0.413 479 P HA 0.003 nan 4.420 nan 0.000 0.269 479 P C -0.865 176.212 177.300 -0.371 0.000 1.217 479 P CA 0.068 63.036 63.100 -0.220 0.000 0.783 479 P CB 0.420 32.008 31.700 -0.187 0.000 0.898 480 D N 2.938 122.969 120.400 -0.615 0.000 2.382 480 D HA 0.004 4.650 4.640 0.011 0.000 0.245 480 D C -1.046 174.642 176.300 -1.020 0.000 1.120 480 D CA -0.914 52.421 54.000 -1.108 0.000 0.890 480 D CB 0.450 40.021 40.800 -2.048 0.000 1.201 480 D HN 0.290 nan 8.370 nan 0.000 0.433 481 P HA -0.130 nan 4.420 nan 0.000 0.219 481 P C 0.510 177.483 177.300 -0.544 0.000 1.146 481 P CA 1.114 63.824 63.100 -0.651 0.000 0.808 481 P CB 0.087 31.396 31.700 -0.652 0.000 0.779 482 W N 0.000 120.884 121.300 -0.694 0.000 2.388 482 W HA 0.000 4.666 4.660 0.010 0.000 0.303 482 W CA 0.000 57.106 57.345 -0.399 0.000 1.226 482 W CB 0.000 29.192 29.460 -0.448 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535