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 1dm8_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 67 G C 0.000 174.838 174.900 -0.103 0.000 0.946 67 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 68 P HA 0.226 nan 4.420 nan 0.000 0.266 68 P C 0.115 177.384 177.300 -0.052 0.000 1.195 68 P CA -0.133 62.846 63.100 -0.201 0.000 0.768 68 P CB 0.765 32.111 31.700 -0.591 0.000 0.838 69 K N 2.571 122.903 120.400 -0.113 0.000 3.025 69 K HA 0.107 4.433 4.320 0.010 0.000 0.260 69 K C -0.795 175.442 176.600 -0.604 0.000 1.023 69 K CA 0.088 56.166 56.287 -0.347 0.000 1.194 69 K CB -0.532 31.683 32.500 -0.476 0.000 1.094 69 K HN 0.349 nan 8.250 nan 0.000 0.460 70 F N -0.457 119.508 119.950 0.024 0.000 2.650 70 F HA 0.380 4.913 4.527 0.010 0.000 0.320 70 F C -2.167 173.726 175.800 0.156 0.000 1.091 70 F CA -2.937 55.104 58.000 0.068 0.000 0.962 70 F CB 0.604 39.644 39.000 0.065 0.000 1.363 70 F HN -0.033 nan 8.300 nan 0.000 0.482 71 P HA 0.078 nan 4.420 nan 0.000 0.263 71 P C -0.786 176.618 177.300 0.173 0.000 1.195 71 P CA -0.106 63.108 63.100 0.191 0.000 0.762 71 P CB 0.450 32.232 31.700 0.135 0.000 0.799 72 R N 3.289 123.832 120.500 0.070 0.000 2.221 72 R HA 0.374 4.719 4.340 0.010 0.000 0.327 72 R C -1.143 175.058 176.300 -0.166 0.000 1.033 72 R CA -0.523 55.442 56.100 -0.225 0.000 0.887 72 R CB 0.487 30.678 30.300 -0.182 0.000 1.057 72 R HN 0.234 nan 8.270 nan 0.000 0.455 73 V N 5.041 124.819 119.914 -0.226 0.000 2.417 73 V HA 0.373 4.499 4.120 0.010 0.000 0.291 73 V C -0.149 175.861 176.094 -0.140 0.000 1.024 73 V CA -0.722 61.517 62.300 -0.102 0.000 0.861 73 V CB 1.487 33.288 31.823 -0.038 0.000 0.985 73 V HN 0.708 nan 8.190 nan 0.000 0.436 74 K N 3.664 124.013 120.400 -0.084 0.000 2.259 74 K HA 0.434 4.760 4.320 0.010 0.000 0.249 74 K C -0.765 175.779 176.600 -0.093 0.000 0.942 74 K CA -0.716 55.456 56.287 -0.192 0.000 0.816 74 K CB 1.587 33.835 32.500 -0.421 0.000 1.155 74 K HN 0.734 nan 8.250 nan 0.000 0.428 75 N N 4.062 122.681 118.700 -0.134 0.000 2.476 75 N HA 0.109 4.855 4.740 0.010 0.000 0.257 75 N C -0.333 175.151 175.510 -0.044 0.000 0.970 75 N CA -0.378 52.697 53.050 0.043 0.000 0.938 75 N CB 0.508 39.031 38.487 0.059 0.000 1.144 75 N HN 0.664 nan 8.380 nan 0.000 0.500 76 W N 2.103 123.472 121.300 0.116 0.000 2.699 76 W HA 0.112 4.778 4.660 0.009 0.000 0.249 76 W C 2.046 178.600 176.519 0.059 0.000 1.280 76 W CA -0.048 57.355 57.345 0.097 0.000 1.345 76 W CB 0.236 29.777 29.460 0.135 0.000 1.128 76 W HN 0.657 nan 8.180 nan 0.000 0.642 77 E N 0.432 120.756 120.200 0.206 0.000 2.060 77 E HA -0.100 4.255 4.350 0.010 0.000 0.189 77 E C 1.733 178.350 176.600 0.028 0.000 0.974 77 E CA 0.969 57.393 56.400 0.039 0.000 0.808 77 E CB -0.208 29.476 29.700 -0.027 0.000 0.768 77 E HN 0.252 nan 8.360 nan 0.000 0.453 78 L N -0.788 120.453 121.223 0.029 0.000 2.554 78 L HA 0.293 4.639 4.340 0.010 0.000 0.225 78 L C 1.563 178.408 176.870 -0.042 0.000 1.104 78 L CA 0.426 55.265 54.840 -0.002 0.000 0.866 78 L CB 0.399 42.462 42.059 0.007 0.000 1.047 78 L HN 0.413 nan 8.230 nan 0.000 0.468 79 G N 0.672 109.420 108.800 -0.087 0.000 2.168 79 G HA2 -0.323 3.642 3.960 0.010 0.000 0.263 79 G HA3 -0.323 3.642 3.960 0.010 0.000 0.263 79 G C 0.430 175.230 174.900 -0.167 0.000 0.977 79 G CA 0.513 45.514 45.100 -0.166 0.000 0.659 79 G HN 0.483 nan 8.290 nan 0.000 0.533 80 S N -0.077 115.549 115.700 -0.123 0.000 2.592 80 S HA 0.772 5.248 4.470 0.010 0.000 0.271 80 S C 0.145 174.656 174.600 -0.149 0.000 1.326 80 S CA -0.616 57.520 58.200 -0.107 0.000 1.024 80 S CB 2.027 65.189 63.200 -0.063 0.000 0.921 80 S HN 0.443 nan 8.310 nan 0.000 0.527 81 I N 1.910 122.396 120.570 -0.140 0.000 2.689 81 I HA 0.593 4.769 4.170 0.010 0.000 0.299 81 I C 0.134 176.141 176.117 -0.184 0.000 1.059 81 I CA -0.209 60.971 61.300 -0.200 0.000 1.055 81 I CB 1.836 39.703 38.000 -0.222 0.000 1.243 81 I HN 1.080 nan 8.210 nan 0.000 0.425 82 T N 1.615 116.007 114.554 -0.271 0.000 2.868 82 T HA 0.679 5.035 4.350 0.010 0.000 0.306 82 T C -1.392 173.098 174.700 -0.349 0.000 1.224 82 T CA -0.721 61.268 62.100 -0.185 0.000 1.012 82 T CB 1.846 70.665 68.868 -0.082 0.000 1.221 82 T HN 0.251 nan 8.240 nan 0.000 0.499 83 Y N 0.420 120.701 120.300 -0.031 0.000 2.364 83 Y HA 0.487 5.043 4.550 0.009 0.000 0.340 83 Y C 0.084 175.941 175.900 -0.071 0.000 0.975 83 Y CA -0.949 57.140 58.100 -0.019 0.000 1.089 83 Y CB 1.652 40.107 38.460 -0.008 0.000 1.192 83 Y HN 0.726 nan 8.280 nan 0.000 0.454 84 D N 2.109 122.571 120.400 0.103 0.000 2.339 84 D HA 0.076 4.722 4.640 0.010 0.000 0.241 84 D C 0.613 176.872 176.300 -0.068 0.000 1.183 84 D CA 0.124 54.139 54.000 0.025 0.000 0.859 84 D CB 1.253 42.104 40.800 0.085 0.000 1.067 84 D HN 0.807 nan 8.370 nan 0.000 0.484 85 T N 1.107 115.497 114.554 -0.273 0.000 3.001 85 T HA -0.036 4.320 4.350 0.010 0.000 0.251 85 T C 1.809 176.377 174.700 -0.220 0.000 1.040 85 T CA -0.272 61.501 62.100 -0.545 0.000 0.985 85 T CB 0.139 68.472 68.868 -0.892 0.000 1.011 85 T HN 0.263 nan 8.240 nan 0.000 0.509 86 L N 2.514 123.646 121.223 -0.152 0.000 2.093 86 L HA 0.057 4.403 4.340 0.010 0.000 0.208 86 L C 2.634 179.374 176.870 -0.217 0.000 1.085 86 L CA 1.394 56.175 54.840 -0.098 0.000 0.755 86 L CB -0.979 41.092 42.059 0.020 0.000 0.904 86 L HN 0.639 nan 8.230 nan 0.000 0.435 87 C N -1.118 117.866 119.300 -0.526 0.000 2.409 87 C HA 0.018 4.484 4.460 0.010 0.000 0.284 87 C C 2.764 177.552 174.990 -0.336 0.000 1.354 87 C CA 0.184 58.632 59.018 -0.951 0.000 1.787 87 C CB -2.313 24.797 27.740 -1.050 0.000 1.900 87 C HN 0.590 nan 8.230 nan 0.000 0.520 88 A N -0.004 122.749 122.820 -0.111 0.000 2.125 88 A HA -0.081 4.244 4.320 0.010 0.000 0.219 88 A C 2.233 179.813 177.584 -0.007 0.000 1.156 88 A CA 1.411 53.456 52.037 0.013 0.000 0.671 88 A CB -0.394 18.709 19.000 0.172 0.000 0.794 88 A HN 0.710 nan 8.150 nan 0.000 0.459 89 Q N -0.148 119.633 119.800 -0.032 0.000 2.392 89 Q HA 0.099 4.444 4.340 0.010 0.000 0.203 89 Q C 0.751 176.768 176.000 0.027 0.000 0.917 89 Q CA 0.273 56.081 55.803 0.009 0.000 0.939 89 Q CB -0.272 28.479 28.738 0.022 0.000 1.063 89 Q HN 0.506 nan 8.270 nan 0.000 0.516 90 S N 1.300 117.004 115.700 0.007 0.000 2.537 90 S HA 0.006 4.482 4.470 0.010 0.000 0.286 90 S C 0.880 175.508 174.600 0.046 0.000 1.299 90 S CA 0.079 58.315 58.200 0.059 0.000 1.067 90 S CB 0.430 63.671 63.200 0.069 0.000 0.864 90 S HN 0.151 nan 8.310 nan 0.000 0.494 91 Q N 2.761 122.596 119.800 0.057 0.000 2.217 91 Q HA 0.227 4.573 4.340 0.010 0.000 0.217 91 Q C -0.011 176.015 176.000 0.044 0.000 0.844 91 Q CA 0.057 55.888 55.803 0.047 0.000 0.957 91 Q CB 0.664 29.433 28.738 0.052 0.000 1.127 91 Q HN 0.762 nan 8.270 nan 0.000 0.503 92 Q N 0.908 120.739 119.800 0.050 0.000 2.347 92 Q HA 0.232 4.578 4.340 0.010 0.000 0.271 92 Q C -1.457 174.572 176.000 0.049 0.000 1.064 92 Q CA -0.531 55.299 55.803 0.044 0.000 0.800 92 Q CB 1.761 30.522 28.738 0.039 0.000 1.304 92 Q HN -0.060 nan 8.270 nan 0.000 0.438 93 D N 1.655 122.079 120.400 0.039 0.000 2.341 93 D HA 0.340 4.986 4.640 0.010 0.000 0.245 93 D C 0.132 176.458 176.300 0.044 0.000 1.106 93 D CA 0.283 54.308 54.000 0.041 0.000 0.905 93 D CB 1.367 42.186 40.800 0.031 0.000 1.202 93 D HN 0.660 nan 8.370 nan 0.000 0.426 94 G N 0.494 109.324 108.800 0.050 0.000 2.583 94 G HA2 0.366 4.332 3.960 0.010 0.000 0.280 94 G HA3 0.366 4.332 3.960 0.010 0.000 0.280 94 G C -1.767 173.158 174.900 0.041 0.000 1.376 94 G CA -0.705 44.424 45.100 0.049 0.000 1.043 94 G HN 0.320 nan 8.290 nan 0.000 0.538 95 P HA 0.161 nan 4.420 nan 0.000 0.251 95 P C 0.304 177.625 177.300 0.035 0.000 1.223 95 P CA -0.011 63.111 63.100 0.037 0.000 0.796 95 P CB 0.177 31.901 31.700 0.040 0.000 1.068 96 C N 0.668 119.991 119.300 0.038 0.000 2.422 96 C HA 0.660 5.126 4.460 0.010 0.000 0.364 96 C C 0.979 175.986 174.990 0.028 0.000 1.251 96 C CA 0.121 59.160 59.018 0.034 0.000 2.441 96 C CB 0.949 28.712 27.740 0.039 0.000 2.393 96 C HN 0.341 nan 8.230 nan 0.000 0.606 97 T N -2.348 112.220 114.554 0.023 0.000 2.843 97 T HA 0.393 4.749 4.350 0.010 0.000 0.302 97 T C -2.510 172.199 174.700 0.015 0.000 1.232 97 T CA -1.038 61.072 62.100 0.018 0.000 1.009 97 T CB 1.243 70.120 68.868 0.014 0.000 1.254 97 T HN 0.260 nan 8.240 nan 0.000 0.504 98 P HA -0.086 nan 4.420 nan 0.000 0.217 98 P C 1.538 178.842 177.300 0.008 0.000 1.148 98 P CA 0.866 63.972 63.100 0.009 0.000 0.828 98 P CB 0.118 31.822 31.700 0.006 0.000 0.783 99 R N -0.187 120.317 120.500 0.008 0.000 2.075 99 R HA -0.073 4.273 4.340 0.010 0.000 0.232 99 R C 0.639 176.943 176.300 0.007 0.000 1.126 99 R CA 1.005 57.109 56.100 0.007 0.000 0.963 99 R CB 0.131 30.435 30.300 0.007 0.000 0.858 99 R HN 0.085 nan 8.270 nan 0.000 0.435 100 R N -0.062 120.444 120.500 0.010 0.000 2.594 100 R HA 0.149 4.495 4.340 0.010 0.000 0.265 100 R C -1.826 174.483 176.300 0.015 0.000 1.070 100 R CA -0.690 55.416 56.100 0.010 0.000 0.909 100 R CB 0.216 30.523 30.300 0.011 0.000 1.243 100 R HN 0.105 nan 8.270 nan 0.000 0.455 101 C N 4.357 123.665 119.300 0.014 0.000 2.347 101 C HA 0.518 4.984 4.460 0.010 0.000 0.353 101 C C 0.921 175.928 174.990 0.027 0.000 1.273 101 C CA -0.624 58.406 59.018 0.020 0.000 1.861 101 C CB -0.872 26.876 27.740 0.013 0.000 2.420 101 C HN 0.781 nan 8.230 nan 0.000 0.542 102 L N 5.739 126.983 121.223 0.036 0.000 2.965 102 L HA 0.271 4.617 4.340 0.010 0.000 0.254 102 L C 2.094 178.999 176.870 0.059 0.000 1.220 102 L CA 0.232 55.099 54.840 0.043 0.000 1.023 102 L CB -0.156 41.927 42.059 0.040 0.000 1.355 102 L HN 1.022 nan 8.230 nan 0.000 0.545 103 G N 0.272 109.110 108.800 0.062 0.000 2.535 103 G HA2 -0.245 3.721 3.960 0.010 0.000 0.218 103 G HA3 -0.245 3.721 3.960 0.010 0.000 0.218 103 G C 1.477 176.450 174.900 0.121 0.000 1.122 103 G CA 1.126 46.276 45.100 0.084 0.000 0.769 103 G HN 0.508 nan 8.290 nan 0.000 0.549 104 S N -0.790 114.979 115.700 0.114 0.000 2.556 104 S HA 0.386 4.862 4.470 0.010 0.000 0.216 104 S C 0.428 175.118 174.600 0.151 0.000 0.970 104 S CA -0.544 57.744 58.200 0.147 0.000 0.912 104 S CB 0.108 63.375 63.200 0.112 0.000 0.790 104 S HN -0.036 nan 8.310 nan 0.000 0.504 105 L N 2.310 123.607 121.223 0.124 0.000 2.319 105 L HA 0.336 4.682 4.340 0.010 0.000 0.280 105 L C 1.344 178.303 176.870 0.148 0.000 1.099 105 L CA 0.041 54.949 54.840 0.113 0.000 0.828 105 L CB 1.091 43.195 42.059 0.075 0.000 1.150 105 L HN -0.008 nan 8.230 nan 0.000 0.442 106 V N 3.996 124.011 119.914 0.168 0.000 2.295 106 V HA -0.150 3.976 4.120 0.010 0.000 0.246 106 V C 0.943 177.100 176.094 0.106 0.000 1.049 106 V CA 1.404 63.831 62.300 0.212 0.000 1.024 106 V CB -0.367 31.576 31.823 0.201 0.000 0.648 106 V HN 0.533 nan 8.190 nan 0.000 0.447 107 L N 2.468 123.716 121.223 0.042 0.000 2.488 107 L HA 0.386 4.732 4.340 0.010 0.000 0.250 107 L C -2.504 174.384 176.870 0.030 0.000 1.280 107 L CA -1.149 53.695 54.840 0.007 0.000 0.929 107 L CB 1.131 43.131 42.059 -0.098 0.000 1.200 107 L HN 0.229 nan 8.230 nan 0.000 0.495 108 P HA 0.227 nan 4.420 nan 0.000 0.281 108 P C -0.362 176.961 177.300 0.038 0.000 1.249 108 P CA -0.708 62.417 63.100 0.041 0.000 0.810 108 P CB 1.075 32.802 31.700 0.046 0.000 1.008 109 R N 2.546 123.062 120.500 0.026 0.000 3.572 109 R HA 0.109 4.455 4.340 0.010 0.000 0.186 109 R C 0.702 177.018 176.300 0.028 0.000 1.727 109 R CA 0.239 56.353 56.100 0.024 0.000 1.267 109 R CB -0.760 29.548 30.300 0.013 0.000 1.318 109 R HN 0.410 nan 8.270 nan 0.000 0.718 110 K N 0.234 120.657 120.400 0.038 0.000 4.399 110 K HA 0.237 4.563 4.320 0.010 0.000 0.226 110 K C 1.900 178.521 176.600 0.034 0.000 1.205 110 K CA -0.244 56.064 56.287 0.035 0.000 1.822 110 K CB -0.901 31.621 32.500 0.037 0.000 2.605 110 K HN 0.030 nan 8.250 nan 0.000 0.531 111 L N 1.918 123.163 121.223 0.036 0.000 2.051 111 L HA -0.164 4.182 4.340 0.010 0.000 0.214 111 L C 0.838 177.731 176.870 0.038 0.000 1.076 111 L CA 1.004 55.860 54.840 0.026 0.000 0.758 111 L CB -1.062 41.000 42.059 0.005 0.000 0.890 111 L HN 0.398 nan 8.230 nan 0.000 0.433 112 Q N 1.548 121.390 119.800 0.070 0.000 3.108 112 Q HA -0.200 4.145 4.340 0.010 0.000 0.223 112 Q C 0.183 176.205 176.000 0.037 0.000 1.434 112 Q CA 0.891 56.737 55.803 0.071 0.000 0.695 112 Q CB -0.478 28.288 28.738 0.047 0.000 0.849 112 Q HN 0.508 nan 8.270 nan 0.000 0.406 113 T N 2.126 116.704 114.554 0.040 0.000 4.578 113 T HA 0.216 4.571 4.350 0.010 0.000 0.236 113 T C 0.272 174.970 174.700 -0.004 0.000 1.038 113 T CA -0.545 61.564 62.100 0.015 0.000 1.067 113 T CB -0.088 68.792 68.868 0.019 0.000 1.390 113 T HN 0.426 nan 8.240 nan 0.000 1.076 114 R N 2.542 123.035 120.500 -0.011 0.000 2.679 114 R HA 0.250 4.596 4.340 0.010 0.000 0.268 114 R C -2.455 173.826 176.300 -0.030 0.000 1.044 114 R CA -1.643 54.440 56.100 -0.029 0.000 1.105 114 R CB -0.339 29.946 30.300 -0.026 0.000 0.989 114 R HN 0.262 nan 8.270 nan 0.000 0.447 115 P HA 0.051 nan 4.420 nan 0.000 0.264 115 P C -1.150 176.134 177.300 -0.027 0.000 1.229 115 P CA 0.250 63.328 63.100 -0.036 0.000 0.780 115 P CB 0.682 32.354 31.700 -0.046 0.000 0.808 116 S N 3.579 119.266 115.700 -0.022 0.000 2.790 116 S HA 0.347 4.823 4.470 0.010 0.000 0.202 116 S C -1.697 172.893 174.600 -0.017 0.000 1.383 116 S CA -1.144 57.045 58.200 -0.018 0.000 1.026 116 S CB -0.029 63.162 63.200 -0.016 0.000 1.253 116 S HN 0.199 nan 8.310 nan 0.000 0.489 117 P HA -0.047 nan 4.420 nan 0.000 0.207 117 P C 1.006 178.300 177.300 -0.009 0.000 0.926 117 P CA 1.071 64.164 63.100 -0.012 0.000 0.982 117 P CB -0.671 31.024 31.700 -0.008 0.000 0.686 118 G N 1.426 110.223 108.800 -0.006 0.000 2.115 118 G HA2 0.050 4.016 3.960 0.010 0.000 0.244 118 G HA3 0.050 4.016 3.960 0.010 0.000 0.244 118 G C -2.132 172.765 174.900 -0.004 0.000 1.105 118 G CA -0.465 44.633 45.100 -0.003 0.000 0.893 118 G HN 0.208 nan 8.290 nan 0.000 0.443 119 P HA -0.046 nan 4.420 nan 0.000 0.270 119 P C -1.795 175.504 177.300 -0.002 0.000 1.167 119 P CA -0.146 62.951 63.100 -0.004 0.000 0.759 119 P CB 0.089 31.790 31.700 0.002 0.000 0.777 120 P HA 0.302 nan 4.420 nan 0.000 0.279 120 P C -2.573 174.732 177.300 0.009 0.000 1.252 120 P CA -1.905 61.196 63.100 0.001 0.000 0.811 120 P CB -0.377 31.321 31.700 -0.003 0.000 1.035 121 P HA 0.016 nan 4.420 nan 0.000 0.260 121 P C 0.903 178.213 177.300 0.018 0.000 1.185 121 P CA 0.290 63.398 63.100 0.012 0.000 0.763 121 P CB 0.046 31.753 31.700 0.011 0.000 0.776 122 A N 3.973 126.804 122.820 0.018 0.000 1.948 122 A HA -0.261 4.065 4.320 0.010 0.000 0.220 122 A C 2.087 179.683 177.584 0.020 0.000 1.177 122 A CA 1.747 53.798 52.037 0.023 0.000 0.636 122 A CB -0.840 18.171 19.000 0.019 0.000 0.815 122 A HN 0.602 nan 8.150 nan 0.000 0.449 123 E N -1.258 118.952 120.200 0.015 0.000 2.106 123 E HA -0.243 4.113 4.350 0.010 0.000 0.192 123 E C 2.235 178.846 176.600 0.019 0.000 0.984 123 E CA 1.331 57.739 56.400 0.013 0.000 0.806 123 E CB -0.053 29.654 29.700 0.010 0.000 0.750 123 E HN 0.705 nan 8.360 nan 0.000 0.458 124 Q N 0.580 120.392 119.800 0.021 0.000 2.016 124 Q HA -0.160 4.186 4.340 0.010 0.000 0.200 124 Q C 2.062 178.085 176.000 0.038 0.000 0.978 124 Q CA 1.204 57.023 55.803 0.026 0.000 0.833 124 Q CB -0.410 28.341 28.738 0.021 0.000 0.895 124 Q HN 0.284 nan 8.270 nan 0.000 0.427 125 L N -0.173 121.077 121.223 0.044 0.000 2.012 125 L HA -0.129 4.217 4.340 0.010 0.000 0.210 125 L C 2.113 179.029 176.870 0.077 0.000 1.073 125 L CA 1.669 56.553 54.840 0.073 0.000 0.748 125 L CB -0.758 41.352 42.059 0.084 0.000 0.891 125 L HN 0.401 nan 8.230 nan 0.000 0.431 126 L N -0.599 120.648 121.223 0.039 0.000 2.012 126 L HA -0.248 4.098 4.340 0.010 0.000 0.210 126 L C 2.753 179.633 176.870 0.016 0.000 1.073 126 L CA 2.197 57.039 54.840 0.003 0.000 0.748 126 L CB -0.980 41.074 42.059 -0.008 0.000 0.891 126 L HN 0.645 nan 8.230 nan 0.000 0.431 127 S N -1.146 114.572 115.700 0.031 0.000 2.382 127 S HA -0.250 4.226 4.470 0.010 0.000 0.228 127 S C 1.786 176.428 174.600 0.070 0.000 1.027 127 S CA 1.030 59.255 58.200 0.040 0.000 0.991 127 S CB -0.327 62.894 63.200 0.035 0.000 0.823 127 S HN 0.487 nan 8.310 nan 0.000 0.469 128 Q N 0.945 120.796 119.800 0.084 0.000 2.079 128 Q HA 0.079 4.424 4.340 0.010 0.000 0.200 128 Q C 2.639 178.751 176.000 0.186 0.000 0.974 128 Q CA 1.355 57.231 55.803 0.122 0.000 0.840 128 Q CB -0.493 28.308 28.738 0.106 0.000 0.898 128 Q HN 0.787 nan 8.270 nan 0.000 0.430 129 A N 1.154 124.073 122.820 0.165 0.000 1.898 129 A HA -0.174 4.152 4.320 0.010 0.000 0.216 129 A C 1.992 179.662 177.584 0.144 0.000 1.181 129 A CA 1.165 53.307 52.037 0.174 0.000 0.620 129 A CB -0.353 18.550 19.000 -0.162 0.000 0.819 129 A HN 0.185 nan 8.150 nan 0.000 0.442 130 R N -0.606 119.935 120.500 0.068 0.000 2.081 130 R HA -0.170 4.176 4.340 0.010 0.000 0.235 130 R C 2.024 178.400 176.300 0.126 0.000 1.131 130 R CA 1.682 57.823 56.100 0.068 0.000 0.960 130 R CB -0.429 29.887 30.300 0.028 0.000 0.856 130 R HN 0.719 nan 8.270 nan 0.000 0.436 131 D N -0.029 120.457 120.400 0.142 0.000 2.097 131 D HA -0.216 4.430 4.640 0.010 0.000 0.195 131 D C 1.646 178.069 176.300 0.206 0.000 0.989 131 D CA 1.097 55.190 54.000 0.155 0.000 0.827 131 D CB -0.078 40.811 40.800 0.147 0.000 0.966 131 D HN 0.133 nan 8.370 nan 0.000 0.456 132 F N 0.885 120.927 119.950 0.154 0.000 2.102 132 F HA -0.096 4.437 4.527 0.009 0.000 0.298 132 F C 1.963 177.905 175.800 0.237 0.000 1.105 132 F CA 1.081 59.206 58.000 0.208 0.000 1.239 132 F CB -0.307 38.827 39.000 0.222 0.000 0.991 132 F HN -0.003 nan 8.300 nan 0.000 0.474 133 I N 0.989 121.548 120.570 -0.018 0.000 2.264 133 I HA -0.317 3.859 4.170 0.010 0.000 0.248 133 I C 1.980 178.110 176.117 0.022 0.000 1.111 133 I CA 1.257 62.537 61.300 -0.033 0.000 1.382 133 I CB -1.628 36.488 38.000 0.192 0.000 1.060 133 I HN 0.244 nan 8.210 nan 0.000 0.418 134 N N 0.901 119.654 118.700 0.088 0.000 2.166 134 N HA -0.190 4.556 4.740 0.010 0.000 0.186 134 N C 1.853 177.310 175.510 -0.088 0.000 1.019 134 N CA 1.089 54.182 53.050 0.072 0.000 0.856 134 N CB -0.299 38.270 38.487 0.138 0.000 0.993 134 N HN 0.507 nan 8.380 nan 0.000 0.426 135 Q N -0.785 118.962 119.800 -0.087 0.000 2.079 135 Q HA -0.158 4.188 4.340 0.010 0.000 0.200 135 Q C 1.711 177.458 176.000 -0.422 0.000 0.974 135 Q CA 1.112 56.861 55.803 -0.090 0.000 0.840 135 Q CB -0.211 28.622 28.738 0.158 0.000 0.898 135 Q HN 0.453 nan 8.270 nan 0.000 0.430 136 Y N 0.039 119.863 120.300 -0.794 0.000 2.114 136 Y HA -0.297 4.258 4.550 0.008 0.000 0.284 136 Y C 1.708 177.065 175.900 -0.905 0.000 1.143 136 Y CA 1.642 59.032 58.100 -1.184 0.000 1.135 136 Y CB -0.492 37.342 38.460 -1.044 0.000 0.980 136 Y HN 0.078 nan 8.280 nan 0.000 0.499 137 Y N -0.340 119.545 120.300 -0.691 0.000 2.333 137 Y HA -0.205 4.351 4.550 0.011 0.000 0.290 137 Y C 2.771 178.333 175.900 -0.564 0.000 1.144 137 Y CA 1.625 59.303 58.100 -0.703 0.000 1.228 137 Y CB -0.485 37.452 38.460 -0.871 0.000 0.985 137 Y HN 0.106 nan 8.280 nan 0.000 0.542 138 S N -0.706 114.769 115.700 -0.375 0.000 2.355 138 S HA -0.211 4.265 4.470 0.010 0.000 0.222 138 S C 2.293 176.717 174.600 -0.292 0.000 1.031 138 S CA 1.364 59.417 58.200 -0.244 0.000 0.993 138 S CB -0.621 62.488 63.200 -0.152 0.000 0.859 138 S HN 0.634 nan 8.310 nan 0.000 0.453 139 S N 2.384 117.821 115.700 -0.439 0.000 2.419 139 S HA -0.081 4.395 4.470 0.010 0.000 0.233 139 S C 1.569 175.929 174.600 -0.400 0.000 1.016 139 S CA 1.201 59.171 58.200 -0.384 0.000 0.974 139 S CB -0.798 62.072 63.200 -0.551 0.000 0.786 139 S HN 0.711 nan 8.310 nan 0.000 0.492 140 I N -3.246 116.980 120.570 -0.573 0.000 3.904 140 I HA 0.407 4.583 4.170 0.010 0.000 0.333 140 I C -0.311 175.644 176.117 -0.269 0.000 1.361 140 I CA -0.559 60.477 61.300 -0.440 0.000 1.116 140 I CB -0.081 37.555 38.000 -0.606 0.000 1.028 140 I HN -0.113 nan 8.210 nan 0.000 0.398 141 K N 2.114 122.379 120.400 -0.225 0.000 3.096 141 K HA -0.152 4.174 4.320 0.010 0.000 0.266 141 K C -0.036 176.513 176.600 -0.085 0.000 1.043 141 K CA 0.460 56.669 56.287 -0.129 0.000 0.758 141 K CB -1.536 30.909 32.500 -0.093 0.000 1.260 141 K HN 0.571 nan 8.250 nan 0.000 0.481 142 R N -0.592 119.863 120.500 -0.074 0.000 2.642 142 R HA 0.096 4.442 4.340 0.010 0.000 0.435 142 R C 0.130 176.466 176.300 0.060 0.000 1.046 142 R CA -0.284 55.832 56.100 0.026 0.000 1.103 142 R CB 0.869 31.236 30.300 0.113 0.000 1.425 142 R HN 0.159 nan 8.270 nan 0.000 0.586 143 S N -0.224 115.479 115.700 0.004 0.000 2.537 143 S HA 0.285 4.761 4.470 0.010 0.000 0.286 143 S C 1.376 176.071 174.600 0.158 0.000 1.299 143 S CA 1.525 59.763 58.200 0.062 0.000 1.067 143 S CB 0.405 63.615 63.200 0.016 0.000 0.864 143 S HN 0.734 nan 8.310 nan 0.000 0.494 144 G N 3.065 112.064 108.800 0.331 0.000 2.234 144 G HA2 -0.297 3.669 3.960 0.010 0.000 0.260 144 G HA3 -0.297 3.669 3.960 0.010 0.000 0.260 144 G C 0.301 175.214 174.900 0.021 0.000 0.987 144 G CA 0.491 45.642 45.100 0.085 0.000 0.625 144 G HN 1.609 nan 8.290 nan 0.000 0.532 145 S N -0.274 115.458 115.700 0.053 0.000 2.600 145 S HA 0.430 4.906 4.470 0.010 0.000 0.265 145 S C 1.301 175.878 174.600 -0.038 0.000 1.325 145 S CA 0.764 58.970 58.200 0.009 0.000 1.002 145 S CB 1.488 64.710 63.200 0.035 0.000 0.921 145 S HN 0.526 nan 8.310 nan 0.000 0.554 146 Q N 0.915 120.695 119.800 -0.033 0.000 2.096 146 Q HA -0.174 4.172 4.340 0.010 0.000 0.204 146 Q C 2.215 178.176 176.000 -0.064 0.000 0.982 146 Q CA 1.703 57.477 55.803 -0.048 0.000 0.850 146 Q CB -0.746 27.977 28.738 -0.024 0.000 0.901 146 Q HN 0.957 nan 8.270 nan 0.000 0.422 147 A N -0.088 122.709 122.820 -0.038 0.000 1.972 147 A HA -0.226 4.100 4.320 0.010 0.000 0.219 147 A C 1.857 179.284 177.584 -0.261 0.000 1.169 147 A CA 1.612 53.630 52.037 -0.031 0.000 0.635 147 A CB -0.901 18.167 19.000 0.114 0.000 0.810 147 A HN 0.694 nan 8.150 nan 0.000 0.446 148 H N -0.796 117.900 119.070 -0.624 0.000 2.299 148 H HA -0.087 4.475 4.556 0.010 0.000 0.302 148 H C 1.847 176.857 175.328 -0.530 0.000 1.078 148 H CA 1.154 56.541 56.048 -1.102 0.000 1.323 148 H CB 0.132 29.451 29.762 -0.738 0.000 1.381 148 H HN 0.393 nan 8.280 nan 0.000 0.498 149 E N 0.704 120.702 120.200 -0.336 0.000 2.153 149 E HA -0.148 4.208 4.350 0.010 0.000 0.194 149 E C 2.040 178.535 176.600 -0.176 0.000 0.988 149 E CA 0.905 57.127 56.400 -0.297 0.000 0.811 149 E CB -0.048 29.522 29.700 -0.217 0.000 0.746 149 E HN 0.698 nan 8.360 nan 0.000 0.466 150 E N 0.420 120.541 120.200 -0.131 0.000 2.072 150 E HA -0.156 4.200 4.350 0.010 0.000 0.190 150 E C 2.164 178.739 176.600 -0.043 0.000 0.982 150 E CA 0.693 57.052 56.400 -0.067 0.000 0.803 150 E CB -0.038 29.642 29.700 -0.034 0.000 0.755 150 E HN -0.078 nan 8.360 nan 0.000 0.453 151 R N 1.338 121.811 120.500 -0.045 0.000 2.081 151 R HA -0.090 4.256 4.340 0.010 0.000 0.235 151 R C 2.052 178.358 176.300 0.010 0.000 1.131 151 R CA 1.180 57.302 56.100 0.037 0.000 0.960 151 R CB -0.617 29.771 30.300 0.146 0.000 0.856 151 R HN 0.160 nan 8.270 nan 0.000 0.436 152 L N 0.146 121.341 121.223 -0.046 0.000 2.046 152 L HA -0.223 4.123 4.340 0.010 0.000 0.208 152 L C 2.553 179.382 176.870 -0.068 0.000 1.077 152 L CA 1.765 56.567 54.840 -0.064 0.000 0.747 152 L CB -0.422 41.556 42.059 -0.134 0.000 0.896 152 L HN 0.339 nan 8.230 nan 0.000 0.432 153 Q N -0.587 119.174 119.800 -0.066 0.000 2.084 153 Q HA -0.271 4.075 4.340 0.010 0.000 0.202 153 Q C 2.133 178.116 176.000 -0.028 0.000 0.978 153 Q CA 1.675 57.449 55.803 -0.049 0.000 0.844 153 Q CB -0.131 28.580 28.738 -0.045 0.000 0.898 153 Q HN 0.477 nan 8.270 nan 0.000 0.426 154 E N 0.213 120.406 120.200 -0.011 0.000 2.077 154 E HA -0.173 4.182 4.350 0.010 0.000 0.193 154 E C 1.990 178.595 176.600 0.009 0.000 0.989 154 E CA 1.131 57.541 56.400 0.015 0.000 0.800 154 E CB 0.195 29.921 29.700 0.043 0.000 0.746 154 E HN 0.144 nan 8.360 nan 0.000 0.452 155 V N 1.429 121.321 119.914 -0.037 0.000 2.295 155 V HA -0.256 3.870 4.120 0.010 0.000 0.246 155 V C 2.109 178.125 176.094 -0.130 0.000 1.049 155 V CA 2.151 64.363 62.300 -0.147 0.000 1.024 155 V CB -0.527 31.093 31.823 -0.338 0.000 0.648 155 V HN 0.292 nan 8.190 nan 0.000 0.447 156 E N 0.303 120.445 120.200 -0.096 0.000 2.085 156 E HA -0.217 4.139 4.350 0.010 0.000 0.194 156 E C 2.336 178.923 176.600 -0.022 0.000 0.994 156 E CA 1.375 57.737 56.400 -0.063 0.000 0.801 156 E CB -0.363 29.305 29.700 -0.053 0.000 0.743 156 E HN 0.605 nan 8.360 nan 0.000 0.453 157 A N 1.442 124.256 122.820 -0.009 0.000 1.877 157 A HA -0.275 4.051 4.320 0.010 0.000 0.216 157 A C 2.087 179.690 177.584 0.033 0.000 1.186 157 A CA 1.786 53.829 52.037 0.011 0.000 0.620 157 A CB -0.550 18.459 19.000 0.015 0.000 0.822 157 A HN 0.280 nan 8.150 nan 0.000 0.443 158 E N -0.355 119.876 120.200 0.052 0.000 2.085 158 E HA -0.152 4.204 4.350 0.010 0.000 0.194 158 E C 1.816 178.476 176.600 0.100 0.000 0.994 158 E CA 1.566 58.024 56.400 0.098 0.000 0.801 158 E CB -0.141 29.654 29.700 0.159 0.000 0.743 158 E HN 0.309 nan 8.360 nan 0.000 0.453 159 V N 0.909 120.869 119.914 0.076 0.000 2.379 159 V HA -0.200 3.926 4.120 0.010 0.000 0.245 159 V C 2.389 178.513 176.094 0.049 0.000 1.044 159 V CA 1.612 63.957 62.300 0.076 0.000 1.036 159 V CB -0.627 31.225 31.823 0.048 0.000 0.664 159 V HN 0.460 nan 8.190 nan 0.000 0.453 160 A N 0.367 123.206 122.820 0.032 0.000 2.024 160 A HA -0.197 4.129 4.320 0.010 0.000 0.220 160 A C 2.437 180.039 177.584 0.030 0.000 1.164 160 A CA 2.377 54.428 52.037 0.024 0.000 0.643 160 A CB -0.403 18.606 19.000 0.014 0.000 0.806 160 A HN 0.698 nan 8.150 nan 0.000 0.451 161 S N -2.324 113.400 115.700 0.040 0.000 2.527 161 S HA -0.022 4.454 4.470 0.010 0.000 0.227 161 S C 1.636 176.265 174.600 0.049 0.000 1.059 161 S CA 1.136 59.361 58.200 0.041 0.000 0.919 161 S CB -0.454 62.771 63.200 0.041 0.000 0.805 161 S HN 0.731 nan 8.310 nan 0.000 0.500 162 T N -3.232 111.361 114.554 0.064 0.000 2.985 162 T HA 0.538 4.894 4.350 0.010 0.000 0.254 162 T C 1.636 176.372 174.700 0.060 0.000 1.021 162 T CA 0.948 63.090 62.100 0.070 0.000 0.957 162 T CB 0.208 69.137 68.868 0.102 0.000 1.047 162 T HN 1.255 nan 8.240 nan 0.000 0.511 163 G N 0.243 109.078 108.800 0.057 0.000 2.241 163 G HA2 -0.206 3.760 3.960 0.010 0.000 0.244 163 G HA3 -0.206 3.760 3.960 0.010 0.000 0.244 163 G C 0.245 175.176 174.900 0.052 0.000 0.998 163 G CA 0.555 45.682 45.100 0.046 0.000 0.621 163 G HN 0.995 nan 8.290 nan 0.000 0.519 164 T N -1.323 113.270 114.554 0.066 0.000 2.618 164 T HA 0.746 5.102 4.350 0.010 0.000 0.286 164 T C -1.007 173.783 174.700 0.150 0.000 1.027 164 T CA 0.478 62.611 62.100 0.055 0.000 1.063 164 T CB 1.466 70.278 68.868 -0.093 0.000 1.440 164 T HN 1.504 nan 8.240 nan 0.000 0.505 165 Y N -1.034 119.172 120.300 -0.157 0.000 2.744 165 Y HA 0.830 5.386 4.550 0.009 0.000 0.330 165 Y C -1.563 174.140 175.900 -0.329 0.000 1.263 165 Y CA -1.201 56.848 58.100 -0.085 0.000 1.065 165 Y CB 0.864 39.333 38.460 0.015 0.000 1.306 165 Y HN 0.780 nan 8.280 nan 0.000 0.459 166 H N 0.303 119.424 119.070 0.084 0.000 2.821 166 H HA 0.650 5.212 4.556 0.010 0.000 0.373 166 H C -1.211 174.178 175.328 0.102 0.000 1.165 166 H CA -0.842 55.189 56.048 -0.029 0.000 1.154 166 H CB 2.091 31.872 29.762 0.032 0.000 1.765 166 H HN 0.699 nan 8.280 nan 0.000 0.549 167 L N 2.081 123.400 121.223 0.160 0.000 2.357 167 L HA 0.477 4.823 4.340 0.010 0.000 0.273 167 L C 0.629 177.579 176.870 0.134 0.000 1.080 167 L CA -0.716 54.232 54.840 0.180 0.000 0.803 167 L CB 0.891 43.027 42.059 0.129 0.000 1.174 167 L HN 0.424 nan 8.230 nan 0.000 0.443 168 R N 1.036 121.590 120.500 0.090 0.000 2.649 168 R HA 0.026 4.372 4.340 0.010 0.000 0.270 168 R C 1.113 177.417 176.300 0.006 0.000 1.105 168 R CA -0.396 55.725 56.100 0.035 0.000 1.193 168 R CB 0.726 31.017 30.300 -0.014 0.000 1.120 168 R HN 0.681 nan 8.270 nan 0.000 0.561 169 E N 0.969 121.170 120.200 0.001 0.000 2.049 169 E HA -0.241 4.115 4.350 0.010 0.000 0.198 169 E C 1.541 178.134 176.600 -0.012 0.000 1.007 169 E CA 2.234 58.629 56.400 -0.009 0.000 0.809 169 E CB 0.024 29.722 29.700 -0.004 0.000 0.749 169 E HN 0.669 nan 8.360 nan 0.000 0.450 170 S N 0.016 115.708 115.700 -0.014 0.000 2.447 170 S HA -0.145 4.331 4.470 0.010 0.000 0.233 170 S C 1.668 176.275 174.600 0.012 0.000 1.006 170 S CA 1.170 59.385 58.200 0.025 0.000 0.957 170 S CB -0.243 62.998 63.200 0.067 0.000 0.773 170 S HN 0.345 nan 8.310 nan 0.000 0.507 171 E N 0.789 120.896 120.200 -0.155 0.000 2.107 171 E HA 0.002 4.358 4.350 0.010 0.000 0.191 171 E C 1.997 178.743 176.600 0.243 0.000 0.982 171 E CA 0.884 57.222 56.400 -0.103 0.000 0.809 171 E CB -0.303 29.323 29.700 -0.123 0.000 0.756 171 E HN 0.429 nan 8.360 nan 0.000 0.459 172 L N 1.091 122.359 121.223 0.076 0.000 2.017 172 L HA -0.163 4.182 4.340 0.010 0.000 0.208 172 L C 2.260 179.122 176.870 -0.012 0.000 1.073 172 L CA 1.417 56.237 54.840 -0.033 0.000 0.745 172 L CB -0.428 41.555 42.059 -0.127 0.000 0.894 172 L HN -0.074 nan 8.230 nan 0.000 0.432 173 V N -0.251 119.681 119.914 0.030 0.000 2.282 173 V HA -0.348 3.778 4.120 0.010 0.000 0.249 173 V C 2.366 178.544 176.094 0.139 0.000 1.057 173 V CA 2.318 64.646 62.300 0.047 0.000 1.032 173 V CB -1.021 30.835 31.823 0.056 0.000 0.645 173 V HN 0.599 nan 8.190 nan 0.000 0.447 174 F N 1.980 122.011 119.950 0.136 0.000 2.134 174 F HA -0.039 4.493 4.527 0.008 0.000 0.299 174 F C 2.152 178.091 175.800 0.231 0.000 1.097 174 F CA 1.749 59.882 58.000 0.222 0.000 1.264 174 F CB -0.917 38.288 39.000 0.342 0.000 1.001 174 F HN 0.115 nan 8.300 nan 0.000 0.479 175 G N -0.177 108.673 108.800 0.084 0.000 2.402 175 G HA2 -0.188 3.777 3.960 0.010 0.000 0.216 175 G HA3 -0.188 3.777 3.960 0.010 0.000 0.216 175 G C 1.845 176.592 174.900 -0.254 0.000 1.162 175 G CA 0.844 45.869 45.100 -0.124 0.000 0.777 175 G HN 0.644 nan 8.290 nan 0.000 0.539 176 A N 1.054 123.763 122.820 -0.185 0.000 1.883 176 A HA -0.074 4.252 4.320 0.010 0.000 0.217 176 A C 2.312 179.869 177.584 -0.044 0.000 1.186 176 A CA 2.085 54.021 52.037 -0.170 0.000 0.624 176 A CB -0.405 18.532 19.000 -0.105 0.000 0.822 176 A HN 0.390 nan 8.150 nan 0.000 0.444 177 K N -0.922 119.494 120.400 0.027 0.000 2.097 177 K HA -0.128 4.197 4.320 0.010 0.000 0.205 177 K C 2.312 178.969 176.600 0.095 0.000 1.050 177 K CA 1.249 57.661 56.287 0.207 0.000 0.938 177 K CB -0.147 32.521 32.500 0.279 0.000 0.718 177 K HN 0.390 nan 8.250 nan 0.000 0.442 178 Q N 0.380 120.046 119.800 -0.223 0.000 2.084 178 Q HA -0.091 4.255 4.340 0.010 0.000 0.202 178 Q C 2.246 178.107 176.000 -0.232 0.000 0.978 178 Q CA 1.579 57.171 55.803 -0.351 0.000 0.844 178 Q CB -0.370 28.046 28.738 -0.538 0.000 0.898 178 Q HN 0.327 nan 8.270 nan 0.000 0.426 179 A N 0.404 123.074 122.820 -0.249 0.000 1.917 179 A HA -0.209 4.117 4.320 0.010 0.000 0.219 179 A C 1.836 179.416 177.584 -0.006 0.000 1.182 179 A CA 1.612 53.449 52.037 -0.332 0.000 0.633 179 A CB -1.041 17.430 19.000 -0.881 0.000 0.819 179 A HN 0.554 nan 8.150 nan 0.000 0.448 180 W N 0.834 122.124 121.300 -0.016 0.000 2.379 180 W HA -0.126 4.538 4.660 0.007 0.000 0.307 180 W C 2.365 178.860 176.519 -0.041 0.000 1.200 180 W CA 1.543 58.944 57.345 0.093 0.000 1.297 180 W CB -0.792 28.718 29.460 0.084 0.000 1.140 180 W HN 0.384 nan 8.180 nan 0.000 0.507 181 R N 0.371 120.823 120.500 -0.080 0.000 2.139 181 R HA -0.203 4.143 4.340 0.010 0.000 0.243 181 R C 1.410 177.564 176.300 -0.244 0.000 1.145 181 R CA 1.894 57.740 56.100 -0.423 0.000 0.976 181 R CB -0.543 29.245 30.300 -0.853 0.000 0.866 181 R HN 0.100 nan 8.270 nan 0.000 0.449 182 N N 0.080 118.692 118.700 -0.147 0.000 2.398 182 N HA 0.045 4.791 4.740 0.010 0.000 0.188 182 N C -0.525 174.944 175.510 -0.068 0.000 1.122 182 N CA 0.570 53.551 53.050 -0.114 0.000 0.866 182 N CB 0.708 39.128 38.487 -0.112 0.000 0.970 182 N HN 0.167 nan 8.380 nan 0.000 0.462 183 A N 1.898 124.724 122.820 0.011 0.000 2.475 183 A HA 0.276 4.602 4.320 0.010 0.000 0.293 183 A C -1.266 176.299 177.584 -0.031 0.000 1.252 183 A CA -0.993 51.049 52.037 0.008 0.000 0.920 183 A CB 0.348 19.400 19.000 0.088 0.000 1.125 183 A HN -0.010 nan 8.150 nan 0.000 0.528 184 P HA -0.143 nan 4.420 nan 0.000 0.219 184 P C 1.159 178.408 177.300 -0.085 0.000 1.146 184 P CA 1.208 64.248 63.100 -0.100 0.000 0.808 184 P CB 0.161 31.767 31.700 -0.157 0.000 0.779 185 R N -2.307 118.106 120.500 -0.146 0.000 2.317 185 R HA 0.139 4.485 4.340 0.010 0.000 0.208 185 R C 0.290 176.597 176.300 0.011 0.000 0.914 185 R CA -0.106 55.924 56.100 -0.116 0.000 1.060 185 R CB -0.369 29.653 30.300 -0.464 0.000 1.015 185 R HN 0.189 nan 8.270 nan 0.000 0.498 186 C N 0.571 119.866 119.300 -0.010 0.000 2.285 186 C HA 0.228 4.694 4.460 0.010 0.000 0.335 186 C C 1.846 176.794 174.990 -0.070 0.000 1.267 186 C CA -0.654 58.380 59.018 0.026 0.000 1.762 186 C CB 0.672 28.494 27.740 0.136 0.000 2.365 186 C HN 0.262 nan 8.230 nan 0.000 0.527 187 V N 5.913 125.737 119.914 -0.149 0.000 3.406 187 V HA 0.222 4.348 4.120 0.010 0.000 0.263 187 V C 1.748 177.833 176.094 -0.014 0.000 1.172 187 V CA 1.996 64.087 62.300 -0.348 0.000 1.140 187 V CB -0.054 31.577 31.823 -0.321 0.000 0.784 187 V HN 1.071 nan 8.190 nan 0.000 0.467 188 G N -0.643 108.199 108.800 0.070 0.000 3.448 188 G HA2 0.059 4.024 3.960 0.010 0.000 0.261 188 G HA3 0.059 4.024 3.960 0.010 0.000 0.261 188 G C 1.178 176.121 174.900 0.071 0.000 1.173 188 G CA -0.361 44.805 45.100 0.111 0.000 0.835 188 G HN 0.418 nan 8.290 nan 0.000 0.534 189 R N -0.187 120.277 120.500 -0.060 0.000 2.341 189 R HA 0.080 4.426 4.340 0.010 0.000 0.213 189 R C 1.896 177.762 176.300 -0.725 0.000 1.082 189 R CA 0.220 55.996 56.100 -0.539 0.000 1.017 189 R CB -0.150 29.821 30.300 -0.549 0.000 0.860 189 R HN 0.457 nan 8.270 nan 0.000 0.473 190 I N 0.763 121.100 120.570 -0.389 0.000 3.001 190 I HA -0.199 3.977 4.170 0.010 0.000 0.268 190 I C 1.141 177.195 176.117 -0.105 0.000 1.267 190 I CA 1.052 62.282 61.300 -0.117 0.000 1.472 190 I CB 0.185 38.226 38.000 0.067 0.000 1.089 190 I HN 0.185 nan 8.210 nan 0.000 0.468 191 Q N 0.270 119.936 119.800 -0.223 0.000 2.282 191 Q HA -0.061 4.285 4.340 0.010 0.000 0.206 191 Q C 1.574 177.181 176.000 -0.656 0.000 0.878 191 Q CA 0.155 55.827 55.803 -0.219 0.000 0.944 191 Q CB -0.137 28.642 28.738 0.068 0.000 1.100 191 Q HN 0.762 nan 8.270 nan 0.000 0.509 192 W N 0.634 121.191 121.300 -1.239 0.000 2.290 192 W HA -0.202 4.465 4.660 0.013 0.000 0.311 192 W C 1.211 177.415 176.519 -0.526 0.000 1.238 192 W CA 1.450 57.917 57.345 -1.464 0.000 1.255 192 W CB -1.421 27.413 29.460 -1.043 0.000 1.145 192 W HN 0.101 nan 8.180 nan 0.000 0.506 193 G N 1.194 109.140 108.800 -1.424 0.000 2.559 193 G HA2 -0.203 3.763 3.960 0.010 0.000 0.216 193 G HA3 -0.203 3.763 3.960 0.010 0.000 0.216 193 G C 0.813 175.437 174.900 -0.459 0.000 1.126 193 G CA 0.268 44.644 45.100 -1.207 0.000 0.778 193 G HN 0.291 nan 8.290 nan 0.000 0.543 194 K N 0.078 120.328 120.400 -0.250 0.000 2.419 194 K HA 0.539 4.865 4.320 0.010 0.000 0.244 194 K C -1.689 175.006 176.600 0.157 0.000 1.045 194 K CA -0.698 55.571 56.287 -0.030 0.000 1.004 194 K CB 0.460 32.971 32.500 0.018 0.000 1.376 194 K HN 0.061 nan 8.250 nan 0.000 0.460 195 L N 3.059 124.354 121.223 0.120 0.000 2.464 195 L HA 0.335 4.681 4.340 0.010 0.000 0.266 195 L C -1.483 175.382 176.870 -0.008 0.000 0.965 195 L CA -0.388 54.542 54.840 0.151 0.000 0.833 195 L CB 2.053 44.274 42.059 0.269 0.000 1.296 195 L HN 0.490 nan 8.230 nan 0.000 0.405 196 Q N 3.318 123.063 119.800 -0.091 0.000 2.349 196 Q HA 0.494 4.840 4.340 0.010 0.000 0.254 196 Q C -1.581 174.120 176.000 -0.499 0.000 0.980 196 Q CA -0.166 55.424 55.803 -0.355 0.000 0.924 196 Q CB 1.127 29.552 28.738 -0.523 0.000 1.209 196 Q HN 0.512 nan 8.270 nan 0.000 0.445 197 V N 6.517 126.171 119.914 -0.433 0.000 2.334 197 V HA 0.308 4.434 4.120 0.010 0.000 0.267 197 V C -0.534 175.302 176.094 -0.431 0.000 1.040 197 V CA -0.451 61.644 62.300 -0.342 0.000 0.866 197 V CB -0.281 31.430 31.823 -0.187 0.000 1.019 197 V HN 0.631 nan 8.190 nan 0.000 0.468 198 F N 2.900 122.721 119.950 -0.215 0.000 2.421 198 F HA 0.310 4.840 4.527 0.005 0.000 0.358 198 F C 0.721 176.338 175.800 -0.306 0.000 1.115 198 F CA -0.743 57.110 58.000 -0.244 0.000 1.160 198 F CB 0.661 39.517 39.000 -0.240 0.000 1.123 198 F HN 0.402 nan 8.300 nan 0.000 0.508 199 D N 3.331 123.678 120.400 -0.088 0.000 2.339 199 D HA 0.382 5.028 4.640 0.010 0.000 0.241 199 D C -0.060 176.057 176.300 -0.304 0.000 1.183 199 D CA 0.091 53.979 54.000 -0.187 0.000 0.859 199 D CB 1.208 41.945 40.800 -0.105 0.000 1.067 199 D HN 0.626 nan 8.370 nan 0.000 0.484 200 A N 4.683 127.178 122.820 -0.542 0.000 2.676 200 A HA 0.167 4.493 4.320 0.010 0.000 0.297 200 A C 1.392 178.744 177.584 -0.386 0.000 1.132 200 A CA -0.426 51.106 52.037 -0.841 0.000 0.972 200 A CB 0.064 17.965 19.000 -1.832 0.000 1.197 200 A HN 0.551 nan 8.150 nan 0.000 0.524 201 R N 0.562 120.947 120.500 -0.193 0.000 2.339 201 R HA -0.067 4.279 4.340 0.010 0.000 0.199 201 R C 0.651 176.949 176.300 -0.003 0.000 1.018 201 R CA 1.161 57.224 56.100 -0.060 0.000 1.036 201 R CB 0.089 30.403 30.300 0.024 0.000 0.899 201 R HN 0.681 nan 8.270 nan 0.000 0.473 202 D N -0.906 119.511 120.400 0.029 0.000 2.360 202 D HA -0.061 4.585 4.640 0.010 0.000 0.210 202 D C 0.469 176.865 176.300 0.160 0.000 1.047 202 D CA -0.307 53.751 54.000 0.097 0.000 0.854 202 D CB -0.532 40.337 40.800 0.116 0.000 0.936 202 D HN -0.020 nan 8.370 nan 0.000 0.514 203 C N 1.920 121.334 119.300 0.190 0.000 2.596 203 C HA 0.332 4.798 4.460 0.010 0.000 0.414 203 C C 1.500 176.656 174.990 0.278 0.000 1.396 203 C CA 0.728 59.920 59.018 0.290 0.000 1.698 203 C CB -0.655 27.308 27.740 0.371 0.000 2.572 203 C HN 0.464 nan 8.230 nan 0.000 0.604 204 S N 2.472 118.362 115.700 0.317 0.000 2.937 204 S HA 0.358 4.833 4.470 0.010 0.000 0.252 204 S C -0.198 174.557 174.600 0.258 0.000 1.022 204 S CA 0.213 58.614 58.200 0.335 0.000 1.079 204 S CB -0.268 63.057 63.200 0.210 0.000 1.035 204 S HN 1.452 nan 8.310 nan 0.000 0.594 205 S N -0.305 115.557 115.700 0.269 0.000 2.567 205 S HA 0.771 5.247 4.470 0.010 0.000 0.270 205 S C 0.765 175.454 174.600 0.149 0.000 1.152 205 S CA -0.249 58.048 58.200 0.162 0.000 0.835 205 S CB 0.923 64.197 63.200 0.123 0.000 1.115 205 S HN 0.620 nan 8.310 nan 0.000 0.459 206 A N 1.250 124.133 122.820 0.105 0.000 1.933 206 A HA -0.082 4.244 4.320 0.010 0.000 0.218 206 A C 2.110 179.695 177.584 0.001 0.000 1.175 206 A CA 2.241 54.329 52.037 0.086 0.000 0.628 206 A CB -1.229 17.876 19.000 0.175 0.000 0.814 206 A HN 1.019 nan 8.150 nan 0.000 0.444 207 Q N 0.240 120.124 119.800 0.140 0.000 2.124 207 Q HA -0.193 4.153 4.340 0.010 0.000 0.202 207 Q C 1.844 177.840 176.000 -0.006 0.000 0.977 207 Q CA 2.313 58.172 55.803 0.094 0.000 0.850 207 Q CB -0.392 28.478 28.738 0.220 0.000 0.901 207 Q HN 0.739 nan 8.270 nan 0.000 0.429 208 E N -0.804 119.423 120.200 0.045 0.000 2.152 208 E HA -0.130 4.226 4.350 0.010 0.000 0.192 208 E C 1.860 178.517 176.600 0.095 0.000 0.983 208 E CA 0.938 57.362 56.400 0.040 0.000 0.818 208 E CB -0.062 29.701 29.700 0.105 0.000 0.758 208 E HN 0.490 nan 8.360 nan 0.000 0.467 209 M N -0.275 119.364 119.600 0.066 0.000 2.159 209 M HA -0.138 4.348 4.480 0.010 0.000 0.263 209 M C 2.066 178.379 176.300 0.023 0.000 1.063 209 M CA 1.323 56.624 55.300 0.002 0.000 1.110 209 M CB -0.257 32.166 32.600 -0.295 0.000 1.374 209 M HN 0.210 nan 8.290 nan 0.000 0.411 210 F N 0.677 120.402 119.950 -0.376 0.000 2.186 210 F HA -0.199 4.335 4.527 0.012 0.000 0.299 210 F C 2.196 177.874 175.800 -0.204 0.000 1.090 210 F CA 1.468 59.192 58.000 -0.460 0.000 1.307 210 F CB -0.053 38.319 39.000 -1.045 0.000 1.019 210 F HN 0.023 nan 8.300 nan 0.000 0.489 211 T N -0.387 114.013 114.554 -0.255 0.000 2.737 211 T HA -0.213 4.143 4.350 0.010 0.000 0.265 211 T C 1.587 176.127 174.700 -0.267 0.000 1.038 211 T CA 1.774 63.681 62.100 -0.322 0.000 1.144 211 T CB -0.778 67.936 68.868 -0.257 0.000 0.866 211 T HN 0.357 nan 8.240 nan 0.000 0.434 212 Y N 1.053 121.297 120.300 -0.092 0.000 2.081 212 Y HA -0.159 4.396 4.550 0.008 0.000 0.280 212 Y C 2.381 178.218 175.900 -0.104 0.000 1.163 212 Y CA 1.006 59.067 58.100 -0.066 0.000 1.135 212 Y CB -0.346 38.199 38.460 0.142 0.000 0.970 212 Y HN 0.140 nan 8.280 nan 0.000 0.498 213 I N -1.355 119.294 120.570 0.132 0.000 2.208 213 I HA -0.383 3.793 4.170 0.010 0.000 0.245 213 I C 2.357 178.409 176.117 -0.109 0.000 1.097 213 I CA 1.024 62.333 61.300 0.015 0.000 1.363 213 I CB -0.509 37.493 38.000 0.003 0.000 1.051 213 I HN 0.368 nan 8.210 nan 0.000 0.413 214 C N 0.603 119.719 119.300 -0.307 0.000 2.440 214 C HA -0.114 4.352 4.460 0.010 0.000 0.278 214 C C 2.609 177.498 174.990 -0.169 0.000 1.295 214 C CA 0.759 59.587 59.018 -0.316 0.000 1.738 214 C CB -1.367 26.054 27.740 -0.530 0.000 1.987 214 C HN 0.543 nan 8.230 nan 0.000 0.492 215 N N -0.072 118.520 118.700 -0.179 0.000 2.188 215 N HA -0.120 4.626 4.740 0.010 0.000 0.184 215 N C 1.434 176.841 175.510 -0.172 0.000 1.018 215 N CA 1.295 54.234 53.050 -0.186 0.000 0.858 215 N CB -0.730 37.593 38.487 -0.273 0.000 0.989 215 N HN 0.741 nan 8.380 nan 0.000 0.426 216 H N 0.781 119.698 119.070 -0.255 0.000 2.290 216 H HA 0.040 4.603 4.556 0.012 0.000 0.298 216 H C 2.118 177.469 175.328 0.039 0.000 1.087 216 H CA 1.728 57.691 56.048 -0.141 0.000 1.291 216 H CB -0.102 29.618 29.762 -0.070 0.000 1.369 216 H HN 0.090 nan 8.280 nan 0.000 0.492 217 I N 0.557 121.266 120.570 0.231 0.000 2.208 217 I HA -0.279 3.897 4.170 0.010 0.000 0.245 217 I C 2.453 178.633 176.117 0.105 0.000 1.097 217 I CA 1.446 62.849 61.300 0.171 0.000 1.363 217 I CB -0.306 37.732 38.000 0.063 0.000 1.051 217 I HN 0.326 nan 8.210 nan 0.000 0.413 218 K N -0.000 120.433 120.400 0.055 0.000 2.032 218 K HA -0.251 4.075 4.320 0.010 0.000 0.209 218 K C 2.256 178.902 176.600 0.076 0.000 1.048 218 K CA 1.926 58.238 56.287 0.042 0.000 0.927 218 K CB -0.415 32.090 32.500 0.010 0.000 0.712 218 K HN 0.273 nan 8.250 nan 0.000 0.441 219 Y N 1.143 121.442 120.300 -0.002 0.000 2.163 219 Y HA -0.187 4.365 4.550 0.004 0.000 0.288 219 Y C 2.169 178.107 175.900 0.064 0.000 1.136 219 Y CA 1.419 59.553 58.100 0.056 0.000 1.147 219 Y CB -0.291 38.264 38.460 0.158 0.000 0.987 219 Y HN 0.044 nan 8.280 nan 0.000 0.509 220 A N -0.774 122.168 122.820 0.203 0.000 1.930 220 A HA -0.145 4.181 4.320 0.010 0.000 0.217 220 A C 2.186 179.817 177.584 0.077 0.000 1.175 220 A CA 2.165 54.285 52.037 0.137 0.000 0.627 220 A CB -1.243 17.860 19.000 0.172 0.000 0.815 220 A HN 0.502 nan 8.150 nan 0.000 0.443 221 T N -0.156 114.444 114.554 0.076 0.000 2.857 221 T HA -0.092 4.264 4.350 0.010 0.000 0.266 221 T C 1.117 175.823 174.700 0.010 0.000 1.048 221 T CA 1.085 63.225 62.100 0.067 0.000 1.139 221 T CB -0.433 68.475 68.868 0.066 0.000 0.874 221 T HN 0.647 nan 8.240 nan 0.000 0.455 222 N N 1.413 120.088 118.700 -0.041 0.000 2.701 222 N HA -0.279 4.467 4.740 0.010 0.000 0.252 222 N C -0.224 175.257 175.510 -0.048 0.000 1.002 222 N CA 0.536 53.536 53.050 -0.083 0.000 0.758 222 N CB -1.236 37.154 38.487 -0.161 0.000 0.937 222 N HN 0.475 nan 8.380 nan 0.000 0.538 223 R N -2.649 117.836 120.500 -0.024 0.000 3.641 223 R HA -0.216 4.129 4.340 0.010 0.000 0.286 223 R C 1.256 177.541 176.300 -0.024 0.000 1.153 223 R CA 1.069 57.156 56.100 -0.021 0.000 0.775 223 R CB -2.024 28.259 30.300 -0.027 0.000 1.215 223 R HN 0.952 nan 8.270 nan 0.000 0.474 224 G N -0.240 108.553 108.800 -0.011 0.000 2.278 224 G HA2 -0.304 3.662 3.960 0.010 0.000 0.210 224 G HA3 -0.304 3.662 3.960 0.010 0.000 0.210 224 G C -0.023 174.868 174.900 -0.016 0.000 1.000 224 G CA 0.043 45.136 45.100 -0.011 0.000 0.635 224 G HN 0.344 nan 8.290 nan 0.000 0.495 225 N N 1.527 120.205 118.700 -0.037 0.000 3.188 225 N HA 0.455 5.201 4.740 0.010 0.000 0.279 225 N C 0.366 175.848 175.510 -0.045 0.000 1.213 225 N CA -0.461 52.551 53.050 -0.064 0.000 1.138 225 N CB -0.373 38.070 38.487 -0.074 0.000 1.417 225 N HN 0.227 nan 8.380 nan 0.000 0.526 226 L N 1.838 123.066 121.223 0.007 0.000 2.559 226 L HA 0.012 4.358 4.340 0.010 0.000 0.282 226 L C 0.849 177.839 176.870 0.199 0.000 1.232 226 L CA 1.074 55.989 54.840 0.126 0.000 0.885 226 L CB 0.097 42.320 42.059 0.273 0.000 1.131 226 L HN 0.296 nan 8.230 nan 0.000 0.498 227 R N 1.863 122.475 120.500 0.187 0.000 2.480 227 R HA 0.431 4.777 4.340 0.010 0.000 0.306 227 R C -0.467 175.985 176.300 0.254 0.000 0.958 227 R CA -0.670 55.560 56.100 0.216 0.000 0.861 227 R CB 1.602 31.895 30.300 -0.011 0.000 1.171 227 R HN 0.575 nan 8.270 nan 0.000 0.445 228 S N 1.546 117.400 115.700 0.256 0.000 2.549 228 S HA 0.429 4.905 4.470 0.010 0.000 0.286 228 S C -0.180 174.468 174.600 0.081 0.000 1.314 228 S CA -0.134 58.112 58.200 0.078 0.000 1.062 228 S CB 1.134 64.327 63.200 -0.012 0.000 0.865 228 S HN 0.716 nan 8.310 nan 0.000 0.498 229 A N 2.574 125.406 122.820 0.021 0.000 2.610 229 A HA 0.813 5.139 4.320 0.010 0.000 0.291 229 A C -1.335 176.329 177.584 0.133 0.000 1.086 229 A CA -0.662 51.358 52.037 -0.028 0.000 0.677 229 A CB 1.163 20.090 19.000 -0.122 0.000 1.278 229 A HN 0.794 nan 8.150 nan 0.000 0.414 230 I N 0.345 120.999 120.570 0.140 0.000 2.722 230 I HA 0.630 4.806 4.170 0.010 0.000 0.295 230 I C -1.214 175.035 176.117 0.220 0.000 1.161 230 I CA -0.153 61.312 61.300 0.275 0.000 1.032 230 I CB 2.421 40.513 38.000 0.153 0.000 1.244 230 I HN 0.608 nan 8.210 nan 0.000 0.421 231 T N 6.279 120.939 114.554 0.176 0.000 2.786 231 T HA 0.433 4.789 4.350 0.010 0.000 0.283 231 T C -0.713 173.748 174.700 -0.399 0.000 0.992 231 T CA -0.341 61.695 62.100 -0.107 0.000 0.954 231 T CB 1.478 70.238 68.868 -0.180 0.000 0.934 231 T HN 0.263 nan 8.240 nan 0.000 0.440 232 V N 5.348 124.974 119.914 -0.480 0.000 2.333 232 V HA 0.443 4.569 4.120 0.010 0.000 0.274 232 V C -0.366 175.416 176.094 -0.520 0.000 1.028 232 V CA -0.761 61.268 62.300 -0.453 0.000 0.851 232 V CB -0.187 31.345 31.823 -0.483 0.000 1.000 232 V HN 0.709 nan 8.190 nan 0.000 0.456 233 F N 5.273 125.129 119.950 -0.155 0.000 2.368 233 F HA 0.470 5.003 4.527 0.011 0.000 0.315 233 F C -1.767 173.937 175.800 -0.160 0.000 1.145 233 F CA -2.531 55.300 58.000 -0.282 0.000 1.095 233 F CB 0.116 38.919 39.000 -0.329 0.000 1.286 233 F HN 0.289 nan 8.300 nan 0.000 0.530 234 P HA -0.045 nan 4.420 nan 0.000 0.261 234 P C -0.864 176.470 177.300 0.057 0.000 1.173 234 P CA 0.087 63.139 63.100 -0.079 0.000 0.760 234 P CB 0.145 31.712 31.700 -0.222 0.000 0.783 235 Q N 3.771 123.512 119.800 -0.097 0.000 2.584 235 Q HA 0.093 4.439 4.340 0.010 0.000 0.235 235 Q C -0.227 175.672 176.000 -0.169 0.000 1.079 235 Q CA -0.198 55.318 55.803 -0.478 0.000 0.977 235 Q CB 0.464 28.629 28.738 -0.954 0.000 1.293 235 Q HN 0.342 nan 8.270 nan 0.000 0.553 236 R N -0.120 120.258 120.500 -0.203 0.000 2.590 236 R HA 0.446 4.791 4.340 0.010 0.000 0.274 236 R C -0.666 175.579 176.300 -0.093 0.000 1.061 236 R CA 0.328 56.381 56.100 -0.079 0.000 1.081 236 R CB 0.727 30.977 30.300 -0.084 0.000 0.984 236 R HN 0.698 nan 8.270 nan 0.000 0.448 237 A N 3.783 126.586 122.820 -0.027 0.000 2.454 237 A HA 0.521 4.847 4.320 0.010 0.000 0.302 237 A C -2.463 175.115 177.584 -0.011 0.000 1.079 237 A CA -2.083 49.941 52.037 -0.022 0.000 0.731 237 A CB 1.162 20.178 19.000 0.026 0.000 1.299 237 A HN 0.442 nan 8.150 nan 0.000 0.413 238 P HA 0.040 nan 4.420 nan 0.000 0.248 238 P C 1.014 178.317 177.300 0.005 0.000 1.127 238 P CA 2.412 65.511 63.100 -0.000 0.000 0.801 238 P CB -0.087 31.620 31.700 0.010 0.000 0.732 239 G N 2.557 111.357 108.800 0.000 0.000 2.416 239 G HA2 -0.314 3.652 3.960 0.010 0.000 0.301 239 G HA3 -0.314 3.652 3.960 0.010 0.000 0.301 239 G C 0.260 175.162 174.900 0.003 0.000 0.985 239 G CA 0.170 45.271 45.100 0.002 0.000 0.934 239 G HN 0.715 nan 8.290 nan 0.000 0.513 240 R N -0.358 120.144 120.500 0.003 0.000 2.854 240 R HA 0.607 4.952 4.340 0.010 0.000 0.271 240 R C 0.873 177.168 176.300 -0.007 0.000 0.996 240 R CA -0.191 55.909 56.100 0.001 0.000 0.961 240 R CB 0.981 31.287 30.300 0.011 0.000 1.182 240 R HN 0.340 nan 8.270 nan 0.000 0.479 241 G N 1.582 110.368 108.800 -0.024 0.000 2.491 241 G HA2 0.036 4.002 3.960 0.010 0.000 0.238 241 G HA3 0.036 4.002 3.960 0.010 0.000 0.238 241 G C -0.560 174.311 174.900 -0.048 0.000 1.277 241 G CA -0.281 44.797 45.100 -0.035 0.000 0.851 241 G HN 0.591 nan 8.290 nan 0.000 0.573 242 D N -0.228 120.162 120.400 -0.017 0.000 2.348 242 D HA 0.347 4.992 4.640 0.010 0.000 0.249 242 D C -0.276 176.022 176.300 -0.003 0.000 1.110 242 D CA 0.011 54.033 54.000 0.036 0.000 0.967 242 D CB 0.984 41.823 40.800 0.065 0.000 1.139 242 D HN 0.142 nan 8.370 nan 0.000 0.466 243 F N 1.054 121.032 119.950 0.047 0.000 2.411 243 F HA 0.349 4.882 4.527 0.011 0.000 0.350 243 F C 0.907 176.739 175.800 0.053 0.000 1.114 243 F CA -0.118 57.898 58.000 0.026 0.000 1.135 243 F CB 0.754 39.762 39.000 0.013 0.000 1.120 243 F HN -0.216 nan 8.300 nan 0.000 0.495 244 R N 4.089 124.716 120.500 0.213 0.000 2.651 244 R HA 0.520 4.866 4.340 0.010 0.000 0.278 244 R C -1.258 175.205 176.300 0.271 0.000 1.010 244 R CA -0.793 55.450 56.100 0.238 0.000 0.896 244 R CB 2.311 32.771 30.300 0.267 0.000 1.211 244 R HN 0.627 nan 8.270 nan 0.000 0.456 245 I N 2.204 122.920 120.570 0.242 0.000 2.328 245 I HA 0.160 4.335 4.170 0.010 0.000 0.287 245 I C 0.502 176.830 176.117 0.352 0.000 1.012 245 I CA -0.500 60.937 61.300 0.228 0.000 1.195 245 I CB 1.225 39.298 38.000 0.123 0.000 1.350 245 I HN 0.522 nan 8.210 nan 0.000 0.464 246 W N 3.585 124.932 121.300 0.078 0.000 2.388 246 W HA -0.100 4.566 4.660 0.009 0.000 0.294 246 W C 0.985 177.614 176.519 0.183 0.000 1.212 246 W CA 0.231 57.688 57.345 0.186 0.000 1.271 246 W CB -0.800 28.753 29.460 0.155 0.000 1.126 246 W HN 0.416 nan 8.180 nan 0.000 0.535 247 N N 0.100 118.965 118.700 0.275 0.000 2.479 247 N HA 0.013 4.759 4.740 0.010 0.000 0.257 247 N C 1.288 176.861 175.510 0.105 0.000 1.232 247 N CA 0.843 53.977 53.050 0.140 0.000 0.920 247 N CB 0.695 39.202 38.487 0.034 0.000 1.105 247 N HN -0.089 nan 8.380 nan 0.000 0.444 248 S N 0.692 116.446 115.700 0.090 0.000 2.428 248 S HA -0.057 4.419 4.470 0.010 0.000 0.230 248 S C 0.328 174.927 174.600 -0.002 0.000 1.014 248 S CA 0.713 58.951 58.200 0.064 0.000 0.957 248 S CB 0.042 63.300 63.200 0.095 0.000 0.784 248 S HN 0.666 nan 8.310 nan 0.000 0.499 249 Q N -0.735 119.050 119.800 -0.026 0.000 2.377 249 Q HA 0.465 4.811 4.340 0.010 0.000 0.279 249 Q C 0.128 176.047 176.000 -0.134 0.000 1.049 249 Q CA -0.502 55.248 55.803 -0.088 0.000 0.825 249 Q CB 1.971 30.687 28.738 -0.038 0.000 1.401 249 Q HN 0.122 nan 8.270 nan 0.000 0.404 250 L N 0.393 121.517 121.223 -0.165 0.000 2.127 250 L HA -0.042 4.303 4.340 0.010 0.000 0.211 250 L C 0.424 177.151 176.870 -0.239 0.000 1.089 250 L CA 1.005 55.748 54.840 -0.162 0.000 0.757 250 L CB 0.000 41.966 42.059 -0.156 0.000 0.899 250 L HN 0.276 nan 8.230 nan 0.000 0.434 251 V N 1.018 120.696 119.914 -0.393 0.000 2.407 251 V HA 0.444 4.570 4.120 0.010 0.000 0.291 251 V C -0.261 175.314 176.094 -0.865 0.000 1.018 251 V CA -0.652 61.222 62.300 -0.710 0.000 0.842 251 V CB 1.661 32.843 31.823 -1.067 0.000 0.996 251 V HN 0.160 nan 8.190 nan 0.000 0.426 252 R N 3.045 123.181 120.500 -0.606 0.000 2.651 252 R HA 0.517 4.863 4.340 0.010 0.000 0.278 252 R C -1.732 174.372 176.300 -0.327 0.000 1.010 252 R CA -0.783 55.085 56.100 -0.386 0.000 0.896 252 R CB 2.555 32.758 30.300 -0.162 0.000 1.211 252 R HN 0.540 nan 8.270 nan 0.000 0.456 253 Y N 0.393 120.671 120.300 -0.036 0.000 2.310 253 Y HA 0.422 4.978 4.550 0.010 0.000 0.326 253 Y C 0.977 176.830 175.900 -0.078 0.000 1.151 253 Y CA -0.566 57.525 58.100 -0.015 0.000 1.195 253 Y CB 1.178 39.693 38.460 0.091 0.000 1.210 253 Y HN 0.680 nan 8.280 nan 0.000 0.483 254 A N 1.561 124.400 122.820 0.032 0.000 2.466 254 A HA 0.534 4.860 4.320 0.010 0.000 0.238 254 A C 0.585 177.922 177.584 -0.412 0.000 1.074 254 A CA 0.314 52.203 52.037 -0.247 0.000 0.774 254 A CB -0.274 18.507 19.000 -0.364 0.000 1.015 254 A HN 0.957 nan 8.150 nan 0.000 0.498 255 G N 0.667 109.204 108.800 -0.439 0.000 2.866 255 G HA2 0.533 4.499 3.960 0.010 0.000 0.291 255 G HA3 0.533 4.499 3.960 0.010 0.000 0.291 255 G C -0.973 173.758 174.900 -0.282 0.000 1.476 255 G CA -0.283 44.620 45.100 -0.330 0.000 1.048 255 G HN 0.562 nan 8.290 nan 0.000 0.542 256 Y N 1.450 121.761 120.300 0.018 0.000 2.350 256 Y HA 0.422 4.978 4.550 0.010 0.000 0.340 256 Y C 0.982 176.881 175.900 -0.002 0.000 1.006 256 Y CA -1.043 57.069 58.100 0.020 0.000 1.166 256 Y CB 1.383 39.853 38.460 0.016 0.000 1.168 256 Y HN 0.453 nan 8.280 nan 0.000 0.502 257 R N 3.271 123.860 120.500 0.149 0.000 2.370 257 R HA 0.093 4.439 4.340 0.010 0.000 0.309 257 R C -0.396 175.946 176.300 0.070 0.000 1.059 257 R CA -0.152 55.996 56.100 0.079 0.000 0.981 257 R CB 0.266 30.601 30.300 0.059 0.000 0.972 257 R HN 0.565 nan 8.270 nan 0.000 0.437 258 Q N 2.422 122.251 119.800 0.048 0.000 2.249 258 Q HA 0.009 4.354 4.340 0.010 0.000 0.226 258 Q C 0.892 176.902 176.000 0.017 0.000 0.983 258 Q CA -0.437 55.384 55.803 0.030 0.000 0.930 258 Q CB 1.023 29.774 28.738 0.022 0.000 1.193 258 Q HN 0.731 nan 8.270 nan 0.000 0.508 259 Q N 1.364 121.168 119.800 0.007 0.000 2.014 259 Q HA -0.232 4.114 4.340 0.010 0.000 0.207 259 Q C 0.665 176.668 176.000 0.005 0.000 0.993 259 Q CA 2.513 58.318 55.803 0.003 0.000 0.850 259 Q CB -0.918 27.817 28.738 -0.004 0.000 0.916 259 Q HN 0.781 nan 8.270 nan 0.000 0.417 260 D N -0.448 119.955 120.400 0.004 0.000 2.390 260 D HA 0.126 4.772 4.640 0.010 0.000 0.235 260 D C 1.090 177.394 176.300 0.007 0.000 1.040 260 D CA 1.109 55.112 54.000 0.004 0.000 0.923 260 D CB -0.299 40.503 40.800 0.003 0.000 0.886 260 D HN 0.620 nan 8.370 nan 0.000 0.532 261 G N -0.459 108.347 108.800 0.010 0.000 2.195 261 G HA2 -0.310 3.656 3.960 0.010 0.000 0.246 261 G HA3 -0.310 3.656 3.960 0.010 0.000 0.246 261 G C 0.562 175.470 174.900 0.013 0.000 0.984 261 G CA 0.413 45.521 45.100 0.013 0.000 0.633 261 G HN 0.850 nan 8.290 nan 0.000 0.525 262 S N -1.056 114.651 115.700 0.011 0.000 2.641 262 S HA 0.741 5.217 4.470 0.010 0.000 0.261 262 S C 0.058 174.663 174.600 0.008 0.000 1.257 262 S CA 0.053 58.257 58.200 0.007 0.000 0.983 262 S CB 2.252 65.455 63.200 0.005 0.000 0.990 262 S HN 1.135 nan 8.310 nan 0.000 0.572 263 V N 0.935 120.845 119.914 -0.008 0.000 2.638 263 V HA 0.532 4.658 4.120 0.010 0.000 0.306 263 V C -0.138 175.932 176.094 -0.040 0.000 1.052 263 V CA -0.772 61.518 62.300 -0.018 0.000 0.885 263 V CB 1.637 33.432 31.823 -0.048 0.000 0.999 263 V HN 0.935 nan 8.190 nan 0.000 0.424 264 R N 2.820 123.325 120.500 0.008 0.000 2.294 264 R HA 0.703 5.048 4.340 0.010 0.000 0.319 264 R C 0.591 176.840 176.300 -0.086 0.000 0.984 264 R CA 0.903 57.005 56.100 0.003 0.000 0.861 264 R CB 1.169 31.541 30.300 0.121 0.000 1.104 264 R HN 1.174 nan 8.270 nan 0.000 0.451 265 G N 2.945 111.601 108.800 -0.240 0.000 2.501 265 G HA2 -0.234 3.732 3.960 0.010 0.000 0.213 265 G HA3 -0.234 3.732 3.960 0.010 0.000 0.213 265 G C -1.390 173.101 174.900 -0.682 0.000 1.158 265 G CA -0.083 44.791 45.100 -0.377 0.000 1.079 265 G HN 0.620 nan 8.290 nan 0.000 0.586 266 D N 1.575 121.723 120.400 -0.420 0.000 2.392 266 D HA 0.606 5.252 4.640 0.010 0.000 0.228 266 D C -1.219 174.977 176.300 -0.173 0.000 1.074 266 D CA -2.032 51.752 54.000 -0.359 0.000 0.838 266 D CB 1.676 42.578 40.800 0.172 0.000 1.067 266 D HN -0.019 nan 8.370 nan 0.000 0.511 267 P HA -0.089 nan 4.420 nan 0.000 0.221 267 P C 0.902 178.208 177.300 0.010 0.000 1.145 267 P CA 0.884 63.944 63.100 -0.066 0.000 0.795 267 P CB 0.299 31.972 31.700 -0.045 0.000 0.775 268 A N -0.387 122.461 122.820 0.046 0.000 2.067 268 A HA -0.124 4.202 4.320 0.010 0.000 0.219 268 A C 1.546 179.181 177.584 0.085 0.000 1.158 268 A CA 1.343 53.438 52.037 0.098 0.000 0.661 268 A CB -0.812 18.275 19.000 0.145 0.000 0.801 268 A HN 0.164 nan 8.150 nan 0.000 0.452 269 N N -0.245 118.486 118.700 0.052 0.000 2.321 269 N HA 0.165 4.911 4.740 0.010 0.000 0.242 269 N C 0.987 176.489 175.510 -0.013 0.000 1.141 269 N CA 0.099 53.166 53.050 0.027 0.000 0.864 269 N CB 0.726 39.224 38.487 0.019 0.000 1.100 269 N HN 0.187 nan 8.380 nan 0.000 0.510 270 V N 0.911 120.822 119.914 -0.005 0.000 2.287 270 V HA -0.242 3.884 4.120 0.010 0.000 0.248 270 V C 2.449 178.539 176.094 -0.007 0.000 1.053 270 V CA 1.826 64.121 62.300 -0.008 0.000 1.027 270 V CB -0.238 31.591 31.823 0.009 0.000 0.646 270 V HN 0.394 nan 8.190 nan 0.000 0.447 271 E N -0.284 119.912 120.200 -0.006 0.000 2.031 271 E HA -0.256 4.100 4.350 0.010 0.000 0.193 271 E C 2.148 178.663 176.600 -0.142 0.000 0.994 271 E CA 1.692 58.059 56.400 -0.056 0.000 0.800 271 E CB -0.191 29.502 29.700 -0.011 0.000 0.752 271 E HN 0.463 nan 8.360 nan 0.000 0.447 272 I N 0.899 121.396 120.570 -0.121 0.000 2.454 272 I HA -0.208 3.968 4.170 0.010 0.000 0.254 272 I C 1.990 178.050 176.117 -0.095 0.000 1.156 272 I CA 1.501 62.711 61.300 -0.149 0.000 1.433 272 I CB -0.350 37.615 38.000 -0.057 0.000 1.082 272 I HN 0.109 nan 8.210 nan 0.000 0.432 273 T N 0.132 114.655 114.554 -0.051 0.000 2.737 273 T HA -0.153 4.202 4.350 0.010 0.000 0.265 273 T C 1.748 176.515 174.700 0.110 0.000 1.038 273 T CA 1.699 63.809 62.100 0.016 0.000 1.144 273 T CB -0.231 68.644 68.868 0.011 0.000 0.866 273 T HN 0.443 nan 8.240 nan 0.000 0.434 274 E N 0.625 120.863 120.200 0.063 0.000 2.153 274 E HA -0.021 4.334 4.350 0.010 0.000 0.194 274 E C 2.154 178.790 176.600 0.061 0.000 0.988 274 E CA 0.644 57.089 56.400 0.074 0.000 0.811 274 E CB -0.218 29.502 29.700 0.033 0.000 0.746 274 E HN 0.404 nan 8.360 nan 0.000 0.466 275 L N 0.073 121.294 121.223 -0.004 0.000 2.093 275 L HA -0.193 4.153 4.340 0.010 0.000 0.208 275 L C 2.457 179.424 176.870 0.162 0.000 1.085 275 L CA 0.648 55.516 54.840 0.046 0.000 0.755 275 L CB -0.260 41.724 42.059 -0.125 0.000 0.904 275 L HN 0.316 nan 8.230 nan 0.000 0.435 276 C N -0.180 119.166 119.300 0.077 0.000 2.422 276 C HA -0.131 4.335 4.460 0.010 0.000 0.279 276 C C 2.696 177.854 174.990 0.280 0.000 1.305 276 C CA 0.414 59.489 59.018 0.095 0.000 1.757 276 C CB -0.628 27.068 27.740 -0.072 0.000 1.962 276 C HN 0.419 nan 8.230 nan 0.000 0.499 277 I N 0.432 121.183 120.570 0.301 0.000 2.163 277 I HA -0.243 3.933 4.170 0.010 0.000 0.240 277 I C 2.659 178.851 176.117 0.125 0.000 1.081 277 I CA 1.510 62.957 61.300 0.244 0.000 1.353 277 I CB -0.662 37.451 38.000 0.188 0.000 1.054 277 I HN 0.405 nan 8.210 nan 0.000 0.407 278 Q N -0.115 119.740 119.800 0.091 0.000 2.248 278 Q HA -0.246 4.099 4.340 0.010 0.000 0.208 278 Q C 1.204 177.124 176.000 -0.134 0.000 0.984 278 Q CA 1.462 57.250 55.803 -0.025 0.000 0.875 278 Q CB -0.218 28.492 28.738 -0.046 0.000 0.910 278 Q HN 0.625 nan 8.270 nan 0.000 0.433 279 H N -1.688 117.374 119.070 -0.013 0.000 2.519 279 H HA 0.226 4.788 4.556 0.010 0.000 0.289 279 H C 0.800 176.106 175.328 -0.037 0.000 1.040 279 H CA 0.572 56.586 56.048 -0.056 0.000 1.165 279 H CB 0.670 30.356 29.762 -0.126 0.000 1.462 279 H HN 0.398 nan 8.280 nan 0.000 0.555 280 G N -0.431 108.410 108.800 0.069 0.000 2.179 280 G HA2 -0.254 3.712 3.960 0.010 0.000 0.220 280 G HA3 -0.254 3.712 3.960 0.010 0.000 0.220 280 G C -0.084 174.884 174.900 0.113 0.000 0.990 280 G CA -0.172 44.957 45.100 0.049 0.000 0.646 280 G HN 0.373 nan 8.290 nan 0.000 0.517 281 W N 2.472 123.755 121.300 -0.028 0.000 2.238 281 W HA 0.644 5.310 4.660 0.010 0.000 0.321 281 W C 0.241 176.754 176.519 -0.010 0.000 1.293 281 W CA 0.186 57.517 57.345 -0.023 0.000 1.204 281 W CB 0.891 30.347 29.460 -0.006 0.000 1.167 281 W HN 0.036 nan 8.180 nan 0.000 0.553 282 T N 9.652 123.856 114.554 -0.583 0.000 2.747 282 T HA 0.175 4.531 4.350 0.010 0.000 0.301 282 T C -2.034 171.925 174.700 -1.236 0.000 0.952 282 T CA -0.889 60.829 62.100 -0.637 0.000 0.983 282 T CB 0.255 68.898 68.868 -0.375 0.000 0.930 282 T HN 0.247 nan 8.240 nan 0.000 0.494 283 P HA 0.230 nan 4.420 nan 0.000 0.269 283 P C 0.382 177.267 177.300 -0.691 0.000 1.215 283 P CA -0.169 62.232 63.100 -1.166 0.000 0.780 283 P CB 0.855 32.254 31.700 -0.500 0.000 0.898 284 G N 0.793 109.331 108.800 -0.437 0.000 2.702 284 G HA2 0.360 4.326 3.960 0.010 0.000 0.254 284 G HA3 0.360 4.326 3.960 0.010 0.000 0.254 284 G C 0.051 174.700 174.900 -0.418 0.000 1.380 284 G CA -0.741 44.231 45.100 -0.213 0.000 1.042 284 G HN 0.757 nan 8.290 nan 0.000 0.557 285 N N -1.409 117.163 118.700 -0.212 0.000 2.381 285 N HA 0.238 4.984 4.740 0.010 0.000 0.257 285 N C 0.482 176.012 175.510 0.033 0.000 1.409 285 N CA -0.472 52.404 53.050 -0.289 0.000 0.836 285 N CB 0.947 39.285 38.487 -0.247 0.000 1.384 285 N HN 0.640 nan 8.380 nan 0.000 0.490 286 G N 0.459 109.384 108.800 0.208 0.000 2.535 286 G HA2 0.240 4.206 3.960 0.010 0.000 0.303 286 G HA3 0.240 4.206 3.960 0.010 0.000 0.303 286 G C 0.368 175.374 174.900 0.176 0.000 1.237 286 G CA -0.616 44.596 45.100 0.186 0.000 0.986 286 G HN 0.114 nan 8.290 nan 0.000 0.494 287 R N -1.333 119.179 120.500 0.019 0.000 2.246 287 R HA 0.156 4.502 4.340 0.010 0.000 0.199 287 R C -0.082 175.787 176.300 -0.717 0.000 0.984 287 R CA 0.487 56.413 56.100 -0.289 0.000 1.015 287 R CB 0.047 30.146 30.300 -0.335 0.000 0.930 287 R HN 0.424 nan 8.270 nan 0.000 0.475 288 F N 0.652 120.564 119.950 -0.062 0.000 2.576 288 F HA 0.245 4.778 4.527 0.010 0.000 0.365 288 F C -0.865 174.928 175.800 -0.011 0.000 1.506 288 F CA -1.039 56.716 58.000 -0.409 0.000 1.113 288 F CB 0.763 39.355 39.000 -0.681 0.000 1.293 288 F HN -0.298 nan 8.300 nan 0.000 0.540 289 D N 1.650 122.220 120.400 0.283 0.000 2.295 289 D HA 0.202 4.848 4.640 0.010 0.000 0.248 289 D C 0.180 176.714 176.300 0.389 0.000 1.154 289 D CA 0.107 54.330 54.000 0.372 0.000 0.857 289 D CB 2.294 43.371 40.800 0.462 0.000 1.117 289 D HN -0.056 nan 8.370 nan 0.000 0.468 290 V N 3.818 123.921 119.914 0.315 0.000 2.521 290 V HA 0.038 4.164 4.120 0.010 0.000 0.286 290 V C 1.004 177.077 176.094 -0.035 0.000 1.034 290 V CA -0.364 62.000 62.300 0.106 0.000 1.045 290 V CB 0.351 32.197 31.823 0.039 0.000 0.974 290 V HN 0.339 nan 8.190 nan 0.000 0.480 291 L N 8.031 129.135 121.223 -0.200 0.000 2.453 291 L HA 0.365 4.711 4.340 0.010 0.000 0.261 291 L C -1.706 174.904 176.870 -0.433 0.000 1.179 291 L CA -1.310 53.255 54.840 -0.458 0.000 0.813 291 L CB 0.953 42.773 42.059 -0.399 0.000 1.110 291 L HN 0.490 nan 8.230 nan 0.000 0.466 292 P HA 0.291 nan 4.420 nan 0.000 0.281 292 P C -1.249 175.891 177.300 -0.267 0.000 1.264 292 P CA -0.589 62.269 63.100 -0.405 0.000 0.824 292 P CB 1.215 32.578 31.700 -0.560 0.000 1.092 293 L N 1.078 122.233 121.223 -0.115 0.000 2.307 293 L HA 0.408 4.754 4.340 0.010 0.000 0.282 293 L C 0.488 177.334 176.870 -0.041 0.000 1.051 293 L CA -0.784 54.034 54.840 -0.037 0.000 0.804 293 L CB 0.702 42.806 42.059 0.074 0.000 1.197 293 L HN 0.216 nan 8.230 nan 0.000 0.431 294 L N 5.138 126.318 121.223 -0.071 0.000 2.297 294 L HA 0.433 4.779 4.340 0.010 0.000 0.277 294 L C -0.591 176.178 176.870 -0.169 0.000 1.040 294 L CA -0.260 54.449 54.840 -0.218 0.000 0.867 294 L CB 0.754 42.599 42.059 -0.357 0.000 1.244 294 L HN 0.451 nan 8.230 nan 0.000 0.433 295 L N 3.713 124.897 121.223 -0.065 0.000 2.307 295 L HA 0.482 4.828 4.340 0.010 0.000 0.282 295 L C -0.130 176.687 176.870 -0.089 0.000 1.051 295 L CA -0.336 54.489 54.840 -0.024 0.000 0.804 295 L CB 1.558 43.624 42.059 0.012 0.000 1.197 295 L HN 0.548 nan 8.230 nan 0.000 0.431 296 Q N 2.789 122.562 119.800 -0.045 0.000 2.309 296 Q HA 0.647 4.993 4.340 0.010 0.000 0.270 296 Q C -1.094 174.850 176.000 -0.093 0.000 1.023 296 Q CA -0.562 55.209 55.803 -0.053 0.000 0.758 296 Q CB 2.028 30.805 28.738 0.065 0.000 1.247 296 Q HN 0.796 nan 8.270 nan 0.000 0.455 297 A N 4.898 127.615 122.820 -0.172 0.000 2.287 297 A HA 0.626 4.952 4.320 0.010 0.000 0.273 297 A C -2.385 174.945 177.584 -0.423 0.000 1.091 297 A CA -1.543 50.236 52.037 -0.430 0.000 0.817 297 A CB 0.005 18.852 19.000 -0.255 0.000 1.069 297 A HN 0.650 nan 8.150 nan 0.000 0.492 298 P HA 0.020 nan 4.420 nan 0.000 0.260 298 P C -0.535 176.668 177.300 -0.160 0.000 1.172 298 P CA 0.882 63.779 63.100 -0.339 0.000 0.760 298 P CB 0.123 31.624 31.700 -0.332 0.000 0.773 299 D N 0.035 120.384 120.400 -0.086 0.000 3.039 299 D HA -0.198 4.447 4.640 0.010 0.000 0.222 299 D C -0.126 176.158 176.300 -0.027 0.000 1.179 299 D CA 1.326 55.304 54.000 -0.036 0.000 0.880 299 D CB -0.739 40.043 40.800 -0.030 0.000 1.115 299 D HN 0.572 nan 8.370 nan 0.000 0.416 300 E N -0.512 119.663 120.200 -0.042 0.000 2.263 300 E HA 0.672 5.028 4.350 0.010 0.000 0.264 300 E C -0.013 176.577 176.600 -0.017 0.000 0.923 300 E CA -0.789 55.592 56.400 -0.032 0.000 0.802 300 E CB 1.618 31.286 29.700 -0.053 0.000 1.228 300 E HN 0.144 nan 8.360 nan 0.000 0.417 301 A N 2.439 125.249 122.820 -0.018 0.000 2.366 301 A HA 0.364 4.690 4.320 0.010 0.000 0.249 301 A C -2.113 175.392 177.584 -0.131 0.000 1.084 301 A CA -1.061 50.961 52.037 -0.025 0.000 0.794 301 A CB -0.278 18.723 19.000 0.002 0.000 1.034 301 A HN 0.358 nan 8.150 nan 0.000 0.491 302 P HA 0.226 nan 4.420 nan 0.000 0.271 302 P C -0.724 176.369 177.300 -0.346 0.000 1.218 302 P CA 0.070 62.866 63.100 -0.507 0.000 0.780 302 P CB 0.842 31.781 31.700 -1.269 0.000 0.901 303 E N 0.675 120.733 120.200 -0.236 0.000 2.207 303 E HA 0.435 4.791 4.350 0.010 0.000 0.270 303 E C -0.814 175.579 176.600 -0.345 0.000 0.927 303 E CA -1.069 55.178 56.400 -0.255 0.000 0.799 303 E CB 1.465 31.061 29.700 -0.172 0.000 1.172 303 E HN 0.282 nan 8.360 nan 0.000 0.404 304 L N 3.066 123.986 121.223 -0.506 0.000 2.292 304 L HA 0.442 4.788 4.340 0.010 0.000 0.284 304 L C -1.582 174.820 176.870 -0.780 0.000 1.065 304 L CA 0.141 54.712 54.840 -0.448 0.000 0.806 304 L CB 0.199 42.096 42.059 -0.271 0.000 1.175 304 L HN 0.400 nan 8.230 nan 0.000 0.431 305 F N 4.069 123.805 119.950 -0.358 0.000 2.547 305 F HA 0.499 5.033 4.527 0.011 0.000 0.316 305 F C -0.302 175.251 175.800 -0.413 0.000 1.121 305 F CA -0.882 56.760 58.000 -0.597 0.000 0.911 305 F CB 1.870 40.158 39.000 -1.187 0.000 1.179 305 F HN 0.022 nan 8.300 nan 0.000 0.443 306 V N 4.677 124.498 119.914 -0.156 0.000 2.439 306 V HA 0.319 4.445 4.120 0.010 0.000 0.282 306 V C 0.113 176.296 176.094 0.148 0.000 1.039 306 V CA -0.741 61.558 62.300 -0.002 0.000 0.913 306 V CB 1.441 33.297 31.823 0.055 0.000 0.983 306 V HN 0.537 nan 8.190 nan 0.000 0.460 307 L N 7.061 128.394 121.223 0.183 0.000 2.367 307 L HA 0.329 4.674 4.340 0.010 0.000 0.275 307 L C -2.147 174.829 176.870 0.176 0.000 1.129 307 L CA -1.497 53.497 54.840 0.257 0.000 0.839 307 L CB 0.707 42.853 42.059 0.144 0.000 1.133 307 L HN 0.439 nan 8.230 nan 0.000 0.453 308 P HA 0.064 nan 4.420 nan 0.000 0.266 308 P C -2.003 175.347 177.300 0.084 0.000 1.215 308 P CA -0.905 62.267 63.100 0.120 0.000 0.763 308 P CB 0.434 32.194 31.700 0.101 0.000 0.806 309 P HA -0.272 nan 4.420 nan 0.000 0.218 309 P C 1.406 178.738 177.300 0.052 0.000 1.154 309 P CA 1.478 64.619 63.100 0.069 0.000 0.872 309 P CB -0.213 31.530 31.700 0.071 0.000 0.790 310 E N -0.027 120.200 120.200 0.045 0.000 2.333 310 E HA -0.160 4.195 4.350 0.010 0.000 0.198 310 E C 1.609 178.225 176.600 0.027 0.000 1.007 310 E CA 1.143 57.563 56.400 0.032 0.000 0.845 310 E CB -1.058 28.658 29.700 0.028 0.000 0.766 310 E HN 0.331 nan 8.360 nan 0.000 0.507 311 L N 0.794 122.034 121.223 0.029 0.000 2.477 311 L HA 0.111 4.457 4.340 0.010 0.000 0.220 311 L C 0.617 177.501 176.870 0.024 0.000 1.106 311 L CA -0.051 54.801 54.840 0.020 0.000 0.851 311 L CB 0.633 42.697 42.059 0.007 0.000 0.994 311 L HN -0.126 nan 8.230 nan 0.000 0.462 312 V N 2.113 122.044 119.914 0.028 0.000 2.288 312 V HA 0.165 4.290 4.120 0.010 0.000 0.266 312 V C -0.026 176.095 176.094 0.045 0.000 1.048 312 V CA -0.558 61.757 62.300 0.024 0.000 0.842 312 V CB 1.110 32.936 31.823 0.004 0.000 1.064 312 V HN 0.039 nan 8.190 nan 0.000 0.472 313 L N 5.594 126.850 121.223 0.056 0.000 2.410 313 L HA 0.406 4.751 4.340 0.010 0.000 0.273 313 L C 0.237 177.145 176.870 0.064 0.000 1.144 313 L CA 0.799 55.667 54.840 0.046 0.000 0.863 313 L CB 0.209 42.290 42.059 0.037 0.000 1.140 313 L HN 0.660 nan 8.230 nan 0.000 0.463 314 E N 3.359 123.576 120.200 0.028 0.000 2.320 314 E HA 0.623 4.979 4.350 0.010 0.000 0.264 314 E C -1.424 175.123 176.600 -0.087 0.000 0.923 314 E CA -1.081 55.333 56.400 0.023 0.000 0.796 314 E CB 2.428 32.168 29.700 0.068 0.000 1.262 314 E HN 0.360 nan 8.360 nan 0.000 0.428 315 V N 2.569 122.401 119.914 -0.137 0.000 2.443 315 V HA 0.296 4.422 4.120 0.010 0.000 0.293 315 V C -2.458 173.566 176.094 -0.117 0.000 1.021 315 V CA -1.962 60.197 62.300 -0.235 0.000 0.848 315 V CB 1.387 32.841 31.823 -0.615 0.000 0.998 315 V HN 0.515 nan 8.190 nan 0.000 0.424 316 P HA 0.315 nan 4.420 nan 0.000 0.275 316 P C -0.688 176.612 177.300 -0.000 0.000 1.227 316 P CA -0.158 62.909 63.100 -0.054 0.000 0.781 316 P CB 0.650 32.329 31.700 -0.036 0.000 0.906 317 L N 3.274 124.534 121.223 0.062 0.000 2.289 317 L HA 0.490 4.836 4.340 0.010 0.000 0.285 317 L C 0.927 177.952 176.870 0.258 0.000 1.049 317 L CA -0.223 54.720 54.840 0.171 0.000 0.804 317 L CB 0.706 42.935 42.059 0.283 0.000 1.195 317 L HN 0.497 nan 8.230 nan 0.000 0.428 318 E N 1.659 121.978 120.200 0.199 0.000 2.408 318 E HA 0.397 4.753 4.350 0.010 0.000 0.275 318 E C -1.367 175.238 176.600 0.008 0.000 0.935 318 E CA -0.950 55.571 56.400 0.201 0.000 0.775 318 E CB 2.225 32.023 29.700 0.163 0.000 1.277 318 E HN 0.467 nan 8.360 nan 0.000 0.455 319 H N 1.834 120.735 119.070 -0.282 0.000 2.463 319 H HA 0.228 4.790 4.556 0.010 0.000 0.332 319 H C -1.709 173.286 175.328 -0.556 0.000 1.127 319 H CA -2.257 53.465 56.048 -0.544 0.000 1.238 319 H CB 1.967 31.298 29.762 -0.718 0.000 1.478 319 H HN 0.439 nan 8.280 nan 0.000 0.499 320 P HA -0.132 nan 4.420 nan 0.000 0.218 320 P C 0.899 178.016 177.300 -0.305 0.000 1.148 320 P CA 1.880 64.434 63.100 -0.910 0.000 0.822 320 P CB 0.470 31.645 31.700 -0.874 0.000 0.784 321 T N -4.704 109.845 114.554 -0.008 0.000 3.010 321 T HA 0.197 4.553 4.350 0.010 0.000 0.252 321 T C 0.871 175.520 174.700 -0.085 0.000 0.963 321 T CA -0.251 61.844 62.100 -0.008 0.000 0.952 321 T CB -0.597 68.277 68.868 0.010 0.000 1.182 321 T HN -0.070 nan 8.240 nan 0.000 0.495 322 L N 2.933 124.019 121.223 -0.228 0.000 2.385 322 L HA 0.345 4.691 4.340 0.010 0.000 0.285 322 L C 1.265 177.753 176.870 -0.637 0.000 1.125 322 L CA -0.250 54.178 54.840 -0.687 0.000 0.890 322 L CB 0.491 41.734 42.059 -1.359 0.000 1.251 322 L HN 0.306 nan 8.230 nan 0.000 0.445 323 E N 3.530 123.519 120.200 -0.352 0.000 2.204 323 E HA -0.202 4.154 4.350 0.010 0.000 0.195 323 E C 1.544 178.097 176.600 -0.080 0.000 0.990 323 E CA 1.382 57.692 56.400 -0.149 0.000 0.821 323 E CB 0.026 29.716 29.700 -0.016 0.000 0.750 323 E HN 0.816 nan 8.360 nan 0.000 0.477 324 W N -0.017 121.333 121.300 0.084 0.000 2.519 324 W HA -0.013 4.653 4.660 0.010 0.000 0.266 324 W C 1.565 178.151 176.519 0.111 0.000 1.253 324 W CA -0.195 57.194 57.345 0.074 0.000 1.274 324 W CB -0.961 28.520 29.460 0.035 0.000 1.114 324 W HN -0.051 nan 8.180 nan 0.000 0.596 325 F N 3.020 122.778 119.950 -0.319 0.000 2.120 325 F HA -0.216 4.316 4.527 0.010 0.000 0.300 325 F C 2.723 178.560 175.800 0.061 0.000 1.095 325 F CA 3.203 61.127 58.000 -0.126 0.000 1.249 325 F CB -0.530 38.227 39.000 -0.406 0.000 0.995 325 F HN -0.077 nan 8.300 nan 0.000 0.480 326 A N 0.054 123.038 122.820 0.273 0.000 1.978 326 A HA -0.141 4.185 4.320 0.010 0.000 0.220 326 A C 2.247 179.907 177.584 0.127 0.000 1.170 326 A CA 1.591 53.747 52.037 0.198 0.000 0.636 326 A CB -1.450 17.632 19.000 0.137 0.000 0.810 326 A HN 0.471 nan 8.150 nan 0.000 0.448 327 A N -1.148 121.755 122.820 0.138 0.000 2.172 327 A HA 0.143 4.469 4.320 0.010 0.000 0.216 327 A C 1.713 179.345 177.584 0.079 0.000 1.154 327 A CA 1.066 53.170 52.037 0.112 0.000 0.701 327 A CB -0.354 18.731 19.000 0.142 0.000 0.789 327 A HN 0.365 nan 8.150 nan 0.000 0.465 328 L N -0.980 120.268 121.223 0.042 0.000 2.376 328 L HA 0.103 4.448 4.340 0.010 0.000 0.219 328 L C 1.886 178.771 176.870 0.025 0.000 1.133 328 L CA 1.238 56.068 54.840 -0.015 0.000 0.816 328 L CB -1.292 40.646 42.059 -0.201 0.000 0.933 328 L HN 0.656 nan 8.230 nan 0.000 0.449 329 G N -0.340 108.481 108.800 0.034 0.000 2.198 329 G HA2 -0.287 3.679 3.960 0.010 0.000 0.260 329 G HA3 -0.287 3.679 3.960 0.010 0.000 0.260 329 G C 0.351 175.248 174.900 -0.005 0.000 1.025 329 G CA 0.424 45.547 45.100 0.039 0.000 0.769 329 G HN 0.323 nan 8.290 nan 0.000 0.507 330 L N -0.372 120.826 121.223 -0.042 0.000 2.421 330 L HA 0.846 5.191 4.340 0.010 0.000 0.263 330 L C 1.086 177.764 176.870 -0.320 0.000 1.122 330 L CA -0.711 54.031 54.840 -0.162 0.000 0.804 330 L CB 1.031 43.095 42.059 0.009 0.000 1.150 330 L HN 0.580 nan 8.230 nan 0.000 0.457 331 R N 0.856 120.977 120.500 -0.633 0.000 2.752 331 R HA 0.456 4.801 4.340 0.010 0.000 0.277 331 R C -2.225 173.989 176.300 -0.143 0.000 1.024 331 R CA -1.012 54.872 56.100 -0.361 0.000 0.866 331 R CB 1.580 31.620 30.300 -0.433 0.000 1.278 331 R HN 0.656 nan 8.270 nan 0.000 0.473 332 W N 1.341 122.584 121.300 -0.095 0.000 3.213 332 W HA 0.350 5.015 4.660 0.009 0.000 0.318 332 W C -1.227 175.374 176.519 0.136 0.000 1.248 332 W CA -0.931 56.458 57.345 0.073 0.000 1.187 332 W CB 1.908 31.328 29.460 -0.068 0.000 1.403 332 W HN 0.685 nan 8.180 nan 0.000 0.556 333 Y N 1.048 121.275 120.300 -0.122 0.000 2.300 333 Y HA 0.552 5.108 4.550 0.009 0.000 0.328 333 Y C 0.795 176.932 175.900 0.395 0.000 1.270 333 Y CA 0.181 58.306 58.100 0.042 0.000 1.352 333 Y CB 0.234 38.588 38.460 -0.177 0.000 1.286 333 Y HN 0.339 nan 8.280 nan 0.000 0.536 334 A N 1.978 125.063 122.820 0.440 0.000 1.975 334 A HA 0.083 4.409 4.320 0.010 0.000 0.215 334 A C 0.480 178.404 177.584 0.566 0.000 1.170 334 A CA 0.346 52.677 52.037 0.490 0.000 0.656 334 A CB -0.284 18.849 19.000 0.222 0.000 0.821 334 A HN 0.668 nan 8.150 nan 0.000 0.449 335 L N 2.020 123.546 121.223 0.505 0.000 2.262 335 L HA 0.404 4.750 4.340 0.010 0.000 0.288 335 L C -2.537 174.517 176.870 0.307 0.000 1.035 335 L CA -2.195 52.851 54.840 0.343 0.000 0.820 335 L CB 1.517 43.706 42.059 0.218 0.000 1.204 335 L HN -0.021 nan 8.230 nan 0.000 0.424 336 P HA 0.288 nan 4.420 nan 0.000 0.283 336 P C -1.336 175.888 177.300 -0.126 0.000 1.412 336 P CA -0.286 62.702 63.100 -0.187 0.000 0.912 336 P CB 1.158 32.318 31.700 -0.900 0.000 1.132 337 A N 4.693 127.454 122.820 -0.099 0.000 2.360 337 A HA 0.412 4.738 4.320 0.010 0.000 0.309 337 A C -0.045 177.330 177.584 -0.349 0.000 1.311 337 A CA -0.683 51.221 52.037 -0.222 0.000 0.805 337 A CB 0.737 19.635 19.000 -0.170 0.000 1.144 337 A HN 0.302 nan 8.150 nan 0.000 0.486 338 V N 2.942 122.473 119.914 -0.639 0.000 2.572 338 V HA 0.226 4.351 4.120 0.010 0.000 0.291 338 V C 1.219 176.910 176.094 -0.672 0.000 1.039 338 V CA 1.212 63.089 62.300 -0.706 0.000 1.055 338 V CB 1.104 32.257 31.823 -1.117 0.000 0.969 338 V HN 1.091 nan 8.190 nan 0.000 0.482 339 S N 1.637 117.144 115.700 -0.322 0.000 2.780 339 S HA 0.073 4.549 4.470 0.010 0.000 0.248 339 S C 0.702 175.276 174.600 -0.043 0.000 1.036 339 S CA 0.057 58.151 58.200 -0.176 0.000 1.061 339 S CB -0.423 62.716 63.200 -0.102 0.000 1.037 339 S HN 0.925 nan 8.310 nan 0.000 0.584 340 N N 0.352 119.034 118.700 -0.029 0.000 2.200 340 N HA 0.321 5.066 4.740 0.010 0.000 0.224 340 N C -0.018 175.545 175.510 0.087 0.000 1.179 340 N CA -0.535 52.541 53.050 0.043 0.000 0.877 340 N CB 0.181 38.697 38.487 0.048 0.000 1.072 340 N HN 0.250 nan 8.380 nan 0.000 0.519 341 M N 1.434 121.100 119.600 0.110 0.000 2.367 341 M HA 0.300 4.786 4.480 0.010 0.000 0.339 341 M C -0.652 175.796 176.300 0.246 0.000 1.177 341 M CA -0.875 54.546 55.300 0.201 0.000 1.068 341 M CB 2.515 35.277 32.600 0.269 0.000 1.602 341 M HN 0.141 nan 8.290 nan 0.000 0.457 342 L N 3.607 124.955 121.223 0.209 0.000 2.276 342 L HA 0.414 4.760 4.340 0.010 0.000 0.286 342 L C -1.123 175.861 176.870 0.190 0.000 1.061 342 L CA -0.750 54.200 54.840 0.183 0.000 0.807 342 L CB 0.785 42.905 42.059 0.102 0.000 1.177 342 L HN 0.577 nan 8.230 nan 0.000 0.429 343 L N 5.730 127.068 121.223 0.190 0.000 2.255 343 L HA 0.410 4.756 4.340 0.010 0.000 0.289 343 L C -0.371 176.522 176.870 0.039 0.000 1.046 343 L CA 0.317 55.156 54.840 -0.001 0.000 0.816 343 L CB 0.852 42.888 42.059 -0.039 0.000 1.197 343 L HN 0.628 nan 8.230 nan 0.000 0.427 344 E N 6.623 126.769 120.200 -0.089 0.000 2.151 344 E HA 0.396 4.752 4.350 0.010 0.000 0.275 344 E C -1.514 175.003 176.600 -0.140 0.000 0.936 344 E CA -0.434 55.927 56.400 -0.065 0.000 0.777 344 E CB 1.100 30.759 29.700 -0.067 0.000 1.108 344 E HN 0.716 nan 8.360 nan 0.000 0.401 345 I N 2.633 123.123 120.570 -0.133 0.000 2.500 345 I HA 0.257 4.433 4.170 0.010 0.000 0.286 345 I C 0.788 176.700 176.117 -0.342 0.000 1.063 345 I CA -0.702 60.392 61.300 -0.343 0.000 1.062 345 I CB 1.983 39.705 38.000 -0.464 0.000 1.223 345 I HN 0.794 nan 8.210 nan 0.000 0.435 346 G N 4.147 112.795 108.800 -0.253 0.000 2.321 346 G HA2 -0.133 3.833 3.960 0.010 0.000 0.287 346 G HA3 -0.133 3.833 3.960 0.010 0.000 0.287 346 G C 1.028 176.009 174.900 0.135 0.000 1.018 346 G CA 0.820 45.965 45.100 0.075 0.000 0.855 346 G HN 1.555 nan 8.290 nan 0.000 0.507 347 G N -1.745 107.072 108.800 0.029 0.000 2.299 347 G HA2 -0.242 3.723 3.960 0.010 0.000 0.237 347 G HA3 -0.242 3.723 3.960 0.010 0.000 0.237 347 G C 0.612 175.467 174.900 -0.076 0.000 1.027 347 G CA 0.342 45.455 45.100 0.021 0.000 0.619 347 G HN 1.284 nan 8.290 nan 0.000 0.513 348 L N 1.215 122.336 121.223 -0.170 0.000 2.461 348 L HA 0.466 4.812 4.340 0.010 0.000 0.272 348 L C 0.351 177.026 176.870 -0.324 0.000 1.197 348 L CA 0.204 54.833 54.840 -0.352 0.000 0.836 348 L CB 0.619 42.368 42.059 -0.518 0.000 1.105 348 L HN 0.276 nan 8.230 nan 0.000 0.477 349 E N 2.988 122.926 120.200 -0.436 0.000 2.185 349 E HA 0.315 4.671 4.350 0.010 0.000 0.261 349 E C -1.439 174.916 176.600 -0.408 0.000 0.879 349 E CA -0.358 55.869 56.400 -0.289 0.000 0.756 349 E CB 1.415 31.024 29.700 -0.151 0.000 1.152 349 E HN 0.279 nan 8.360 nan 0.000 0.416 350 F N 2.172 122.094 119.950 -0.046 0.000 2.309 350 F HA 0.080 4.614 4.527 0.011 0.000 0.366 350 F C 1.688 177.525 175.800 0.062 0.000 1.104 350 F CA -0.472 57.530 58.000 0.002 0.000 1.179 350 F CB 0.851 39.834 39.000 -0.027 0.000 1.437 350 F HN 0.437 nan 8.300 nan 0.000 0.528 351 S N 1.357 117.160 115.700 0.172 0.000 2.469 351 S HA 0.038 4.514 4.470 0.010 0.000 0.238 351 S C 0.873 175.602 174.600 0.215 0.000 0.998 351 S CA 0.495 58.792 58.200 0.163 0.000 0.957 351 S CB -0.061 63.212 63.200 0.123 0.000 0.764 351 S HN 0.497 nan 8.310 nan 0.000 0.514 352 A N 0.354 123.348 122.820 0.289 0.000 2.466 352 A HA 0.821 5.147 4.320 0.010 0.000 0.291 352 A C -0.177 177.646 177.584 0.398 0.000 1.234 352 A CA -0.157 52.076 52.037 0.327 0.000 0.752 352 A CB 0.921 20.115 19.000 0.322 0.000 1.153 352 A HN 1.000 nan 8.150 nan 0.000 0.458 353 A N 4.111 127.106 122.820 0.291 0.000 3.422 353 A HA 0.631 4.956 4.320 0.010 0.000 0.271 353 A C -2.918 174.778 177.584 0.186 0.000 1.104 353 A CA -0.990 51.167 52.037 0.199 0.000 0.899 353 A CB 0.331 19.448 19.000 0.195 0.000 1.309 353 A HN 0.519 nan 8.150 nan 0.000 0.580 354 P HA 0.323 nan 4.420 nan 0.000 0.265 354 P C -0.748 176.504 177.300 -0.079 0.000 1.193 354 P CA 0.594 63.617 63.100 -0.128 0.000 0.765 354 P CB 0.161 31.747 31.700 -0.190 0.000 0.823 355 F N 0.072 119.934 119.950 -0.147 0.000 2.576 355 F HA 0.770 5.303 4.527 0.009 0.000 0.313 355 F C -0.597 175.107 175.800 -0.159 0.000 1.078 355 F CA -1.246 56.673 58.000 -0.136 0.000 0.921 355 F CB 1.640 40.456 39.000 -0.306 0.000 1.232 355 F HN 0.414 nan 8.300 nan 0.000 0.459 356 S N 0.544 116.338 115.700 0.156 0.000 2.588 356 S HA 0.974 5.450 4.470 0.010 0.000 0.275 356 S C -0.718 173.844 174.600 -0.063 0.000 1.130 356 S CA -0.163 58.065 58.200 0.046 0.000 0.855 356 S CB 1.562 64.865 63.200 0.172 0.000 1.116 356 S HN 1.519 nan 8.310 nan 0.000 0.472 357 G N -0.136 108.586 108.800 -0.130 0.000 3.433 357 G HA2 0.695 4.661 3.960 0.010 0.000 0.173 357 G HA3 0.695 4.661 3.960 0.010 0.000 0.173 357 G C -1.618 173.280 174.900 -0.004 0.000 1.196 357 G CA -0.185 44.762 45.100 -0.255 0.000 1.062 357 G HN 1.168 nan 8.290 nan 0.000 0.699 358 W N -1.420 119.880 121.300 -0.000 0.000 3.062 358 W HA 0.829 5.494 4.660 0.008 0.000 0.336 358 W C -1.683 174.832 176.519 -0.006 0.000 1.224 358 W CA -2.092 55.271 57.345 0.030 0.000 1.159 358 W CB 0.444 29.963 29.460 0.098 0.000 1.454 358 W HN 0.400 nan 8.180 nan 0.000 0.569 359 Y N 2.449 122.936 120.300 0.311 0.000 2.326 359 Y HA 0.361 4.917 4.550 0.010 0.000 0.333 359 Y C 0.757 176.716 175.900 0.098 0.000 1.240 359 Y CA -0.813 57.352 58.100 0.108 0.000 1.365 359 Y CB 1.309 39.741 38.460 -0.047 0.000 1.289 359 Y HN 0.453 nan 8.280 nan 0.000 0.548 360 M N 1.961 121.709 119.600 0.247 0.000 2.205 360 M HA 0.222 4.707 4.480 0.010 0.000 0.344 360 M C 0.975 177.272 176.300 -0.005 0.000 1.085 360 M CA -0.357 55.016 55.300 0.122 0.000 1.001 360 M CB 1.259 33.910 32.600 0.084 0.000 1.626 360 M HN 0.839 nan 8.290 nan 0.000 0.442 361 S N 1.663 117.314 115.700 -0.083 0.000 2.400 361 S HA -0.236 4.240 4.470 0.010 0.000 0.234 361 S C 1.457 175.918 174.600 -0.233 0.000 1.049 361 S CA 2.433 60.507 58.200 -0.211 0.000 1.039 361 S CB -1.491 61.627 63.200 -0.136 0.000 0.856 361 S HN 0.934 nan 8.310 nan 0.000 0.465 362 T N -0.144 114.307 114.554 -0.172 0.000 2.881 362 T HA -0.040 4.316 4.350 0.010 0.000 0.270 362 T C 1.586 176.130 174.700 -0.259 0.000 1.068 362 T CA 1.261 63.212 62.100 -0.248 0.000 1.131 362 T CB -0.627 68.058 68.868 -0.304 0.000 0.871 362 T HN 0.615 nan 8.240 nan 0.000 0.479 363 E N 0.931 121.001 120.200 -0.217 0.000 2.070 363 E HA -0.081 4.274 4.350 0.010 0.000 0.197 363 E C 2.090 178.428 176.600 -0.437 0.000 1.004 363 E CA 1.592 57.865 56.400 -0.212 0.000 0.805 363 E CB -0.309 29.402 29.700 0.019 0.000 0.744 363 E HN 0.598 nan 8.360 nan 0.000 0.451 364 I N -0.070 120.102 120.570 -0.663 0.000 2.296 364 I HA -0.060 4.116 4.170 0.010 0.000 0.242 364 I C 2.563 178.318 176.117 -0.604 0.000 1.087 364 I CA 0.917 61.644 61.300 -0.954 0.000 1.393 364 I CB -0.448 36.873 38.000 -1.133 0.000 1.093 364 I HN 0.119 nan 8.210 nan 0.000 0.421 365 G N 0.036 108.587 108.800 -0.415 0.000 2.422 365 G HA2 -0.148 3.818 3.960 0.010 0.000 0.218 365 G HA3 -0.148 3.818 3.960 0.010 0.000 0.218 365 G C 1.602 176.384 174.900 -0.196 0.000 1.140 365 G CA 1.427 46.378 45.100 -0.248 0.000 0.775 365 G HN 0.295 nan 8.290 nan 0.000 0.545 366 T N -0.445 113.970 114.554 -0.232 0.000 3.087 366 T HA 0.129 4.484 4.350 0.010 0.000 0.237 366 T C 2.492 177.081 174.700 -0.185 0.000 0.990 366 T CA 0.055 62.040 62.100 -0.191 0.000 1.160 366 T CB 0.191 68.929 68.868 -0.217 0.000 0.923 366 T HN 0.000 nan 8.240 nan 0.000 0.442 367 R N 2.150 122.518 120.500 -0.221 0.000 2.051 367 R HA 0.173 4.519 4.340 0.010 0.000 0.225 367 R C 2.154 178.336 176.300 -0.196 0.000 1.155 367 R CA 1.054 57.034 56.100 -0.201 0.000 0.945 367 R CB -1.201 28.981 30.300 -0.197 0.000 0.840 367 R HN 0.306 nan 8.270 nan 0.000 0.432 368 N N 1.085 119.622 118.700 -0.272 0.000 2.104 368 N HA -0.103 4.643 4.740 0.010 0.000 0.190 368 N C 1.960 177.403 175.510 -0.110 0.000 1.024 368 N CA 1.110 54.005 53.050 -0.259 0.000 0.853 368 N CB -0.237 37.786 38.487 -0.775 0.000 1.008 368 N HN 0.194 nan 8.380 nan 0.000 0.424 369 L N -0.768 120.338 121.223 -0.195 0.000 2.249 369 L HA 0.076 4.422 4.340 0.010 0.000 0.207 369 L C 1.402 178.305 176.870 0.054 0.000 1.090 369 L CA 0.435 55.260 54.840 -0.024 0.000 0.802 369 L CB 0.153 42.171 42.059 -0.067 0.000 0.947 369 L HN 0.161 nan 8.230 nan 0.000 0.453 370 C N -1.487 117.802 119.300 -0.018 0.000 3.065 370 C HA 0.166 4.632 4.460 0.010 0.000 0.285 370 C C 0.742 175.717 174.990 -0.026 0.000 1.257 370 C CA -0.936 58.081 59.018 -0.001 0.000 1.691 370 C CB -0.373 27.354 27.740 -0.022 0.000 2.089 370 C HN 0.299 nan 8.230 nan 0.000 0.630 371 D N 2.285 122.635 120.400 -0.084 0.000 2.472 371 D HA 0.065 4.711 4.640 0.010 0.000 0.237 371 D C -1.426 174.835 176.300 -0.065 0.000 1.141 371 D CA -1.034 52.882 54.000 -0.140 0.000 0.875 371 D CB 0.612 41.162 40.800 -0.416 0.000 1.192 371 D HN 0.122 nan 8.370 nan 0.000 0.450 372 P HA -0.129 nan 4.420 nan 0.000 0.218 372 P C 0.645 178.027 177.300 0.136 0.000 1.149 372 P CA 1.214 64.386 63.100 0.120 0.000 0.817 372 P CB 0.020 31.816 31.700 0.159 0.000 0.785 373 H N -2.687 116.393 119.070 0.016 0.000 2.538 373 H HA 0.349 4.911 4.556 0.010 0.000 0.286 373 H C 0.900 176.236 175.328 0.014 0.000 1.035 373 H CA -0.053 56.002 56.048 0.012 0.000 1.169 373 H CB -0.050 29.719 29.762 0.012 0.000 1.417 373 H HN -0.012 nan 8.280 nan 0.000 0.567 374 R N -0.242 120.168 120.500 -0.150 0.000 2.845 374 R HA 0.182 4.527 4.340 0.010 0.000 0.112 374 R C 1.162 177.428 176.300 -0.058 0.000 1.012 374 R CA -0.682 55.366 56.100 -0.086 0.000 0.744 374 R CB -0.842 29.425 30.300 -0.055 0.000 0.926 374 R HN 0.087 nan 8.270 nan 0.000 0.376 375 Y N 1.715 122.031 120.300 0.027 0.000 2.352 375 Y HA -0.042 4.514 4.550 0.010 0.000 0.292 375 Y C 0.772 176.696 175.900 0.039 0.000 1.136 375 Y CA 1.471 59.602 58.100 0.052 0.000 1.227 375 Y CB -0.223 38.309 38.460 0.119 0.000 0.991 375 Y HN 0.551 nan 8.280 nan 0.000 0.545 376 N N 0.772 119.559 118.700 0.146 0.000 2.714 376 N HA -0.220 4.526 4.740 0.010 0.000 0.253 376 N C 0.489 176.078 175.510 0.131 0.000 1.024 376 N CA 0.355 53.468 53.050 0.105 0.000 0.726 376 N CB -1.042 37.489 38.487 0.073 0.000 0.908 376 N HN 0.624 nan 8.380 nan 0.000 0.542 377 I N -2.902 117.760 120.570 0.153 0.000 3.793 377 I HA 0.024 4.200 4.170 0.010 0.000 0.315 377 I C 1.690 177.899 176.117 0.154 0.000 1.275 377 I CA -0.397 60.991 61.300 0.147 0.000 1.214 377 I CB 0.001 38.092 38.000 0.152 0.000 1.018 377 I HN 0.107 nan 8.210 nan 0.000 0.439 378 L N 1.832 123.156 121.223 0.168 0.000 1.990 378 L HA -0.247 4.099 4.340 0.010 0.000 0.213 378 L C 2.618 179.693 176.870 0.341 0.000 1.072 378 L CA 2.225 57.202 54.840 0.229 0.000 0.755 378 L CB -1.004 41.163 42.059 0.180 0.000 0.889 378 L HN 0.503 nan 8.230 nan 0.000 0.432 379 E N -0.994 119.406 120.200 0.332 0.000 2.058 379 E HA -0.246 4.110 4.350 0.010 0.000 0.194 379 E C 1.750 178.379 176.600 0.048 0.000 0.997 379 E CA 1.441 57.955 56.400 0.190 0.000 0.801 379 E CB 0.024 29.783 29.700 0.098 0.000 0.746 379 E HN 0.503 nan 8.360 nan 0.000 0.450 380 D N 0.026 120.459 120.400 0.056 0.000 2.104 380 D HA -0.155 4.491 4.640 0.010 0.000 0.194 380 D C 2.050 178.344 176.300 -0.009 0.000 0.994 380 D CA 1.082 55.083 54.000 0.001 0.000 0.830 380 D CB -0.257 40.552 40.800 0.016 0.000 0.959 380 D HN 0.125 nan 8.370 nan 0.000 0.452 381 V N 1.232 121.195 119.914 0.082 0.000 2.515 381 V HA -0.178 3.948 4.120 0.010 0.000 0.250 381 V C 2.452 178.623 176.094 0.129 0.000 1.058 381 V CA 1.562 63.955 62.300 0.155 0.000 1.064 381 V CB -0.618 31.379 31.823 0.290 0.000 0.675 381 V HN 0.174 nan 8.190 nan 0.000 0.461 382 A N -0.212 122.689 122.820 0.134 0.000 1.873 382 A HA -0.139 4.187 4.320 0.010 0.000 0.215 382 A C 2.379 179.922 177.584 -0.067 0.000 1.186 382 A CA 1.843 53.945 52.037 0.108 0.000 0.616 382 A CB -0.658 18.454 19.000 0.186 0.000 0.823 382 A HN 0.313 nan 8.150 nan 0.000 0.442 383 V N -0.744 119.085 119.914 -0.142 0.000 2.392 383 V HA -0.336 3.789 4.120 0.010 0.000 0.249 383 V C 2.615 178.553 176.094 -0.259 0.000 1.059 383 V CA 2.086 64.268 62.300 -0.198 0.000 1.051 383 V CB -0.994 30.717 31.823 -0.186 0.000 0.658 383 V HN 0.727 nan 8.190 nan 0.000 0.455 384 C N -0.551 118.533 119.300 -0.360 0.000 2.466 384 C HA -0.073 4.393 4.460 0.010 0.000 0.278 384 C C 2.520 177.103 174.990 -0.679 0.000 1.288 384 C CA 0.804 59.366 59.018 -0.761 0.000 1.722 384 C CB -0.853 26.076 27.740 -1.352 0.000 2.017 384 C HN 0.528 nan 8.230 nan 0.000 0.488 385 M N 0.465 119.914 119.600 -0.253 0.000 2.628 385 M HA 0.063 4.548 4.480 0.010 0.000 0.232 385 M C 0.287 176.573 176.300 -0.024 0.000 1.128 385 M CA 0.648 55.974 55.300 0.044 0.000 1.040 385 M CB -0.610 32.117 32.600 0.212 0.000 1.608 385 M HN 0.214 nan 8.290 nan 0.000 0.507 386 D N 2.084 122.412 120.400 -0.119 0.000 2.740 386 D HA -0.165 4.480 4.640 0.010 0.000 0.231 386 D C -1.007 175.258 176.300 -0.059 0.000 1.194 386 D CA 0.587 54.524 54.000 -0.105 0.000 0.673 386 D CB -0.639 40.102 40.800 -0.098 0.000 0.995 386 D HN 0.341 nan 8.370 nan 0.000 0.411 387 L N 0.095 121.285 121.223 -0.055 0.000 2.365 387 L HA 0.409 4.755 4.340 0.010 0.000 0.267 387 L C 0.890 177.695 176.870 -0.109 0.000 1.033 387 L CA -0.994 53.836 54.840 -0.017 0.000 0.802 387 L CB 0.833 42.943 42.059 0.085 0.000 1.267 387 L HN -0.017 nan 8.230 nan 0.000 0.457 388 D N 0.357 120.716 120.400 -0.069 0.000 2.483 388 D HA 0.022 4.668 4.640 0.010 0.000 0.220 388 D C 0.983 177.090 176.300 -0.322 0.000 1.173 388 D CA -0.203 53.719 54.000 -0.130 0.000 0.964 388 D CB 0.658 41.444 40.800 -0.024 0.000 1.046 388 D HN 0.577 nan 8.370 nan 0.000 0.517 389 T N 0.489 114.642 114.554 -0.669 0.000 3.252 389 T HA 0.079 4.435 4.350 0.010 0.000 0.250 389 T C 1.372 175.721 174.700 -0.586 0.000 1.123 389 T CA 0.094 61.347 62.100 -1.412 0.000 1.006 389 T CB -0.028 67.934 68.868 -1.510 0.000 0.992 389 T HN 0.237 nan 8.240 nan 0.000 0.547 390 R N 0.107 120.464 120.500 -0.239 0.000 2.280 390 R HA 0.193 4.539 4.340 0.010 0.000 0.195 390 R C 0.592 176.927 176.300 0.058 0.000 0.935 390 R CA 0.326 56.387 56.100 -0.065 0.000 1.033 390 R CB 0.430 30.691 30.300 -0.065 0.000 0.964 390 R HN 0.347 nan 8.270 nan 0.000 0.489 391 T N -0.628 114.005 114.554 0.131 0.000 2.916 391 T HA 0.106 4.462 4.350 0.010 0.000 0.298 391 T C 1.126 175.996 174.700 0.283 0.000 1.031 391 T CA -0.555 61.648 62.100 0.171 0.000 0.993 391 T CB 1.816 70.746 68.868 0.103 0.000 1.045 391 T HN 0.210 nan 8.240 nan 0.000 0.454 392 T N 1.161 115.834 114.554 0.197 0.000 2.788 392 T HA -0.119 4.237 4.350 0.010 0.000 0.268 392 T C 2.065 176.809 174.700 0.073 0.000 1.044 392 T CA 1.709 63.878 62.100 0.116 0.000 1.139 392 T CB -0.707 68.187 68.868 0.042 0.000 0.867 392 T HN 0.692 nan 8.240 nan 0.000 0.454 393 S N 2.058 117.806 115.700 0.080 0.000 2.595 393 S HA -0.039 4.437 4.470 0.010 0.000 0.235 393 S C 2.040 176.686 174.600 0.076 0.000 0.974 393 S CA 0.722 58.956 58.200 0.058 0.000 0.942 393 S CB -0.833 62.395 63.200 0.047 0.000 0.766 393 S HN 0.775 nan 8.310 nan 0.000 0.536 394 S N 1.507 117.288 115.700 0.135 0.000 2.558 394 S HA 0.249 4.724 4.470 0.010 0.000 0.217 394 S C 0.920 175.604 174.600 0.139 0.000 0.975 394 S CA 0.021 58.310 58.200 0.149 0.000 0.912 394 S CB -0.940 62.387 63.200 0.212 0.000 0.776 394 S HN 0.594 nan 8.310 nan 0.000 0.526 395 L N 1.036 122.307 121.223 0.080 0.000 3.737 395 L HA -0.179 4.166 4.340 0.010 0.000 0.418 395 L C 1.648 178.530 176.870 0.021 0.000 1.216 395 L CA 0.691 55.522 54.840 -0.015 0.000 0.915 395 L CB -2.454 39.605 42.059 -0.000 0.000 1.834 395 L HN 0.734 nan 8.230 nan 0.000 0.943 396 W N -0.073 121.239 121.300 0.019 0.000 2.374 396 W HA -0.147 4.519 4.660 0.010 0.000 0.288 396 W C 1.731 178.268 176.519 0.029 0.000 1.218 396 W CA 1.281 58.641 57.345 0.024 0.000 1.245 396 W CB -0.686 28.785 29.460 0.018 0.000 1.126 396 W HN 0.292 nan 8.180 nan 0.000 0.545 397 K N 1.083 121.105 120.400 -0.631 0.000 2.026 397 K HA -0.160 4.166 4.320 0.010 0.000 0.208 397 K C 1.555 178.035 176.600 -0.199 0.000 1.048 397 K CA 2.340 58.281 56.287 -0.577 0.000 0.929 397 K CB -0.367 31.627 32.500 -0.843 0.000 0.713 397 K HN 0.020 nan 8.250 nan 0.000 0.439 398 D N 0.732 121.030 120.400 -0.169 0.000 2.104 398 D HA -0.142 4.504 4.640 0.010 0.000 0.194 398 D C 1.707 178.004 176.300 -0.005 0.000 0.994 398 D CA 1.310 55.263 54.000 -0.078 0.000 0.830 398 D CB 0.004 40.764 40.800 -0.067 0.000 0.959 398 D HN 0.123 nan 8.370 nan 0.000 0.452 399 K N 0.491 120.915 120.400 0.040 0.000 2.002 399 K HA -0.053 4.273 4.320 0.010 0.000 0.209 399 K C 2.253 178.924 176.600 0.118 0.000 1.048 399 K CA 1.204 57.544 56.287 0.087 0.000 0.930 399 K CB -0.233 32.339 32.500 0.119 0.000 0.714 399 K HN 0.090 nan 8.250 nan 0.000 0.438 400 A N 1.604 124.518 122.820 0.157 0.000 1.908 400 A HA -0.174 4.152 4.320 0.010 0.000 0.218 400 A C 2.398 180.073 177.584 0.152 0.000 1.181 400 A CA 2.024 54.182 52.037 0.200 0.000 0.627 400 A CB -0.838 18.317 19.000 0.259 0.000 0.818 400 A HN 0.364 nan 8.150 nan 0.000 0.445 401 A N -0.610 122.257 122.820 0.079 0.000 1.908 401 A HA -0.042 4.284 4.320 0.010 0.000 0.218 401 A C 2.251 179.851 177.584 0.027 0.000 1.181 401 A CA 1.921 53.976 52.037 0.030 0.000 0.627 401 A CB -0.993 17.986 19.000 -0.034 0.000 0.818 401 A HN 0.419 nan 8.150 nan 0.000 0.445 402 V N 0.287 120.224 119.914 0.038 0.000 2.295 402 V HA -0.222 3.904 4.120 0.010 0.000 0.246 402 V C 2.592 178.722 176.094 0.059 0.000 1.049 402 V CA 2.188 64.513 62.300 0.043 0.000 1.024 402 V CB -0.728 31.128 31.823 0.054 0.000 0.648 402 V HN 0.525 nan 8.190 nan 0.000 0.447 403 E N -0.065 120.199 120.200 0.107 0.000 2.110 403 E HA -0.141 4.215 4.350 0.010 0.000 0.193 403 E C 2.131 178.775 176.600 0.074 0.000 0.988 403 E CA 1.225 57.718 56.400 0.154 0.000 0.804 403 E CB -0.359 29.455 29.700 0.190 0.000 0.745 403 E HN 0.583 nan 8.360 nan 0.000 0.458 404 I N 1.620 122.264 120.570 0.125 0.000 2.226 404 I HA -0.271 3.904 4.170 0.010 0.000 0.245 404 I C 2.159 178.269 176.117 -0.011 0.000 1.100 404 I CA 0.912 62.291 61.300 0.132 0.000 1.374 404 I CB -0.293 37.835 38.000 0.214 0.000 1.057 404 I HN 0.092 nan 8.210 nan 0.000 0.413 405 N N 0.611 119.294 118.700 -0.030 0.000 2.142 405 N HA -0.161 4.584 4.740 0.010 0.000 0.186 405 N C 1.922 177.383 175.510 -0.080 0.000 1.023 405 N CA 1.123 54.131 53.050 -0.070 0.000 0.852 405 N CB -0.133 38.321 38.487 -0.055 0.000 0.998 405 N HN 0.200 nan 8.380 nan 0.000 0.424 406 L N 1.612 122.782 121.223 -0.089 0.000 2.083 406 L HA -0.050 4.296 4.340 0.010 0.000 0.209 406 L C 2.232 178.955 176.870 -0.245 0.000 1.083 406 L CA 1.368 56.116 54.840 -0.153 0.000 0.752 406 L CB -0.739 41.205 42.059 -0.192 0.000 0.899 406 L HN 0.044 nan 8.230 nan 0.000 0.433 407 A N -1.117 121.505 122.820 -0.330 0.000 1.877 407 A HA -0.151 4.175 4.320 0.010 0.000 0.216 407 A C 2.266 179.777 177.584 -0.123 0.000 1.186 407 A CA 2.011 53.811 52.037 -0.396 0.000 0.620 407 A CB -1.132 17.381 19.000 -0.812 0.000 0.822 407 A HN 0.289 nan 8.150 nan 0.000 0.443 408 V N 0.097 119.962 119.914 -0.082 0.000 2.287 408 V HA -0.290 3.836 4.120 0.010 0.000 0.248 408 V C 2.597 178.706 176.094 0.024 0.000 1.053 408 V CA 2.099 64.392 62.300 -0.012 0.000 1.027 408 V CB -0.804 30.922 31.823 -0.162 0.000 0.646 408 V HN 0.570 nan 8.190 nan 0.000 0.447 409 L N -0.608 120.588 121.223 -0.045 0.000 2.017 409 L HA -0.238 4.108 4.340 0.010 0.000 0.208 409 L C 2.631 179.532 176.870 0.052 0.000 1.073 409 L CA 2.273 57.105 54.840 -0.014 0.000 0.745 409 L CB -0.829 41.213 42.059 -0.029 0.000 0.894 409 L HN 0.492 nan 8.230 nan 0.000 0.432 410 H N -0.343 118.681 119.070 -0.076 0.000 2.319 410 H HA -0.161 4.401 4.556 0.010 0.000 0.299 410 H C 2.315 177.627 175.328 -0.027 0.000 1.092 410 H CA 2.079 58.075 56.048 -0.088 0.000 1.302 410 H CB -0.020 29.623 29.762 -0.198 0.000 1.373 410 H HN 0.165 nan 8.280 nan 0.000 0.497 411 S N -0.526 115.109 115.700 -0.107 0.000 2.383 411 S HA -0.105 4.371 4.470 0.010 0.000 0.227 411 S C 1.980 176.527 174.600 -0.088 0.000 1.026 411 S CA 1.194 59.313 58.200 -0.135 0.000 0.981 411 S CB -0.461 62.758 63.200 0.032 0.000 0.818 411 S HN 0.385 nan 8.310 nan 0.000 0.472 412 F N 1.895 121.776 119.950 -0.116 0.000 2.146 412 F HA -0.120 4.413 4.527 0.009 0.000 0.298 412 F C 2.772 178.513 175.800 -0.098 0.000 1.096 412 F CA 1.083 59.039 58.000 -0.072 0.000 1.275 412 F CB -0.269 38.711 39.000 -0.033 0.000 1.008 412 F HN 0.195 nan 8.300 nan 0.000 0.480 413 Q N 0.058 119.884 119.800 0.044 0.000 2.050 413 Q HA -0.199 4.147 4.340 0.010 0.000 0.202 413 Q C 2.383 178.318 176.000 -0.109 0.000 0.980 413 Q CA 1.308 57.090 55.803 -0.036 0.000 0.840 413 Q CB -0.332 28.380 28.738 -0.044 0.000 0.898 413 Q HN 0.449 nan 8.270 nan 0.000 0.424 414 L N 0.111 121.207 121.223 -0.211 0.000 1.990 414 L HA -0.216 4.130 4.340 0.010 0.000 0.213 414 L C 2.152 178.933 176.870 -0.149 0.000 1.072 414 L CA 1.367 56.076 54.840 -0.218 0.000 0.755 414 L CB -0.508 41.353 42.059 -0.330 0.000 0.889 414 L HN 0.251 nan 8.230 nan 0.000 0.432 415 A N -0.931 121.793 122.820 -0.162 0.000 2.239 415 A HA -0.118 4.207 4.320 0.010 0.000 0.209 415 A C 1.006 178.520 177.584 -0.117 0.000 1.171 415 A CA 0.397 52.344 52.037 -0.149 0.000 0.768 415 A CB -0.321 18.550 19.000 -0.216 0.000 0.790 415 A HN 0.503 nan 8.150 nan 0.000 0.478 416 K N -1.363 118.981 120.400 -0.092 0.000 3.150 416 K HA -0.127 4.199 4.320 0.010 0.000 0.267 416 K C -0.799 175.768 176.600 -0.055 0.000 1.028 416 K CA 0.627 56.874 56.287 -0.066 0.000 0.753 416 K CB -2.088 30.375 32.500 -0.062 0.000 1.288 416 K HN 0.249 nan 8.250 nan 0.000 0.473 417 V N 1.004 120.894 119.914 -0.040 0.000 2.459 417 V HA 0.173 4.298 4.120 0.010 0.000 0.295 417 V C 0.769 176.939 176.094 0.125 0.000 1.029 417 V CA -0.737 61.569 62.300 0.010 0.000 0.874 417 V CB 2.006 33.766 31.823 -0.105 0.000 0.985 417 V HN 0.246 nan 8.190 nan 0.000 0.438 418 T N 6.255 120.851 114.554 0.069 0.000 2.934 418 T HA 0.438 4.794 4.350 0.010 0.000 0.306 418 T C -0.247 174.523 174.700 0.117 0.000 1.042 418 T CA 0.850 62.926 62.100 -0.040 0.000 1.145 418 T CB 0.066 68.781 68.868 -0.256 0.000 0.982 418 T HN 0.575 nan 8.240 nan 0.000 0.544 419 I N 2.188 122.757 120.570 -0.002 0.000 2.947 419 I HA 0.593 4.769 4.170 0.010 0.000 0.301 419 I C -1.727 174.398 176.117 0.013 0.000 1.453 419 I CA -0.902 60.430 61.300 0.054 0.000 0.984 419 I CB 1.877 39.842 38.000 -0.057 0.000 1.333 419 I HN 0.447 nan 8.210 nan 0.000 0.475 420 V N 4.814 124.789 119.914 0.102 0.000 2.686 420 V HA 0.476 4.601 4.120 0.010 0.000 0.306 420 V C -1.234 174.899 176.094 0.066 0.000 1.065 420 V CA -0.284 62.079 62.300 0.104 0.000 0.894 420 V CB 2.234 34.199 31.823 0.236 0.000 1.004 420 V HN 0.873 nan 8.190 nan 0.000 0.424 421 D N 3.980 124.396 120.400 0.028 0.000 2.358 421 D HA 0.181 4.827 4.640 0.010 0.000 0.244 421 D C 1.293 177.574 176.300 -0.032 0.000 1.163 421 D CA 0.133 54.129 54.000 -0.006 0.000 0.945 421 D CB 0.480 41.244 40.800 -0.060 0.000 1.152 421 D HN 0.744 nan 8.370 nan 0.000 0.451 422 H N -0.016 118.972 119.070 -0.136 0.000 2.518 422 H HA -0.143 4.419 4.556 0.010 0.000 0.289 422 H C 0.817 176.039 175.328 -0.177 0.000 1.051 422 H CA 1.230 57.167 56.048 -0.185 0.000 1.280 422 H CB -0.472 29.123 29.762 -0.279 0.000 1.380 422 H HN 0.516 nan 8.280 nan 0.000 0.566 423 H N 1.200 120.070 119.070 -0.333 0.000 2.294 423 H HA 0.168 4.729 4.556 0.009 0.000 0.306 423 H C 2.583 177.887 175.328 -0.041 0.000 1.065 423 H CA 1.312 57.254 56.048 -0.176 0.000 1.343 423 H CB -0.426 29.197 29.762 -0.232 0.000 1.396 423 H HN 0.477 nan 8.280 nan 0.000 0.506 424 A N 1.604 124.479 122.820 0.091 0.000 1.883 424 A HA -0.163 4.163 4.320 0.010 0.000 0.217 424 A C 2.703 180.356 177.584 0.116 0.000 1.186 424 A CA 2.142 54.233 52.037 0.091 0.000 0.624 424 A CB -1.002 18.041 19.000 0.071 0.000 0.822 424 A HN 0.449 nan 8.150 nan 0.000 0.444 425 A N -0.264 122.622 122.820 0.110 0.000 1.873 425 A HA -0.180 4.146 4.320 0.010 0.000 0.218 425 A C 2.505 180.184 177.584 0.159 0.000 1.193 425 A CA 3.052 55.172 52.037 0.138 0.000 0.629 425 A CB -1.599 17.467 19.000 0.110 0.000 0.826 425 A HN 0.836 nan 8.150 nan 0.000 0.447 426 T N -2.613 112.020 114.554 0.132 0.000 2.777 426 T HA -0.103 4.253 4.350 0.010 0.000 0.266 426 T C 1.713 176.549 174.700 0.228 0.000 1.040 426 T CA 1.431 63.638 62.100 0.178 0.000 1.141 426 T CB -0.936 68.010 68.868 0.129 0.000 0.868 426 T HN 0.066 nan 8.240 nan 0.000 0.444 427 V N 2.909 122.929 119.914 0.175 0.000 2.282 427 V HA -0.218 3.908 4.120 0.010 0.000 0.249 427 V C 3.245 179.435 176.094 0.159 0.000 1.057 427 V CA 2.363 64.756 62.300 0.154 0.000 1.032 427 V CB -1.099 30.795 31.823 0.118 0.000 0.645 427 V HN 0.833 nan 8.190 nan 0.000 0.447 428 S N -0.424 115.380 115.700 0.172 0.000 2.402 428 S HA -0.222 4.254 4.470 0.010 0.000 0.229 428 S C 1.947 176.676 174.600 0.215 0.000 1.021 428 S CA 1.585 59.888 58.200 0.171 0.000 0.974 428 S CB -0.738 62.567 63.200 0.174 0.000 0.800 428 S HN 0.528 nan 8.310 nan 0.000 0.484 429 F N 2.035 122.052 119.950 0.111 0.000 2.293 429 F HA 0.133 4.666 4.527 0.009 0.000 0.300 429 F C 2.158 178.050 175.800 0.154 0.000 1.086 429 F CA 0.983 59.064 58.000 0.135 0.000 1.375 429 F CB -0.315 38.744 39.000 0.098 0.000 1.045 429 F HN 0.112 nan 8.300 nan 0.000 0.516 430 M N 0.023 119.690 119.600 0.112 0.000 2.175 430 M HA -0.137 4.348 4.480 0.010 0.000 0.264 430 M C 2.201 178.475 176.300 -0.042 0.000 1.063 430 M CA 1.379 56.687 55.300 0.014 0.000 1.119 430 M CB -1.177 31.482 32.600 0.099 0.000 1.377 430 M HN 0.056 nan 8.290 nan 0.000 0.415 431 K N -0.205 120.206 120.400 0.018 0.000 2.097 431 K HA -0.201 4.125 4.320 0.010 0.000 0.206 431 K C 1.963 178.555 176.600 -0.013 0.000 1.049 431 K CA 1.708 58.004 56.287 0.015 0.000 0.933 431 K CB -0.629 31.904 32.500 0.055 0.000 0.717 431 K HN 0.367 nan 8.250 nan 0.000 0.442 432 H N 0.061 119.055 119.070 -0.127 0.000 2.353 432 H HA 0.003 4.565 4.556 0.010 0.000 0.300 432 H C 1.698 176.872 175.328 -0.257 0.000 1.090 432 H CA 2.157 58.104 56.048 -0.169 0.000 1.327 432 H CB -0.191 29.446 29.762 -0.208 0.000 1.383 432 H HN 0.172 nan 8.280 nan 0.000 0.508 433 L N -0.033 120.907 121.223 -0.472 0.000 2.046 433 L HA -0.179 4.167 4.340 0.010 0.000 0.208 433 L C 2.084 178.792 176.870 -0.270 0.000 1.077 433 L CA 1.449 56.024 54.840 -0.442 0.000 0.747 433 L CB -0.374 41.475 42.059 -0.351 0.000 0.896 433 L HN 0.355 nan 8.230 nan 0.000 0.432 434 D N -0.123 120.170 120.400 -0.179 0.000 2.097 434 D HA -0.155 4.490 4.640 0.010 0.000 0.195 434 D C 1.953 178.182 176.300 -0.119 0.000 0.989 434 D CA 1.043 54.975 54.000 -0.112 0.000 0.827 434 D CB -0.342 40.421 40.800 -0.063 0.000 0.966 434 D HN 0.255 nan 8.370 nan 0.000 0.456 435 N N 1.085 119.708 118.700 -0.129 0.000 2.043 435 N HA -0.139 4.607 4.740 0.010 0.000 0.193 435 N C 1.628 177.054 175.510 -0.140 0.000 1.037 435 N CA 0.842 53.834 53.050 -0.096 0.000 0.851 435 N CB -0.290 38.173 38.487 -0.039 0.000 1.027 435 N HN 0.258 nan 8.380 nan 0.000 0.422 436 E N 0.616 120.649 120.200 -0.278 0.000 2.153 436 E HA -0.171 4.185 4.350 0.010 0.000 0.194 436 E C 1.885 178.379 176.600 -0.176 0.000 0.988 436 E CA 0.600 56.832 56.400 -0.281 0.000 0.811 436 E CB -0.126 29.289 29.700 -0.475 0.000 0.746 436 E HN 0.341 nan 8.360 nan 0.000 0.466 437 Q N 1.519 121.226 119.800 -0.156 0.000 2.061 437 Q HA -0.142 4.204 4.340 0.010 0.000 0.204 437 Q C 1.830 177.780 176.000 -0.083 0.000 0.984 437 Q CA 1.780 57.521 55.803 -0.103 0.000 0.846 437 Q CB -0.013 28.674 28.738 -0.086 0.000 0.902 437 Q HN 0.145 nan 8.270 nan 0.000 0.421 438 K N -0.725 119.630 120.400 -0.075 0.000 2.057 438 K HA -0.031 4.295 4.320 0.010 0.000 0.206 438 K C 2.026 178.596 176.600 -0.050 0.000 1.050 438 K CA 1.160 57.414 56.287 -0.055 0.000 0.935 438 K CB -0.219 32.256 32.500 -0.042 0.000 0.715 438 K HN 0.252 nan 8.250 nan 0.000 0.439 439 A N 1.141 123.929 122.820 -0.053 0.000 1.970 439 A HA -0.048 4.278 4.320 0.010 0.000 0.216 439 A C 1.781 179.336 177.584 -0.049 0.000 1.170 439 A CA 1.052 53.067 52.037 -0.036 0.000 0.645 439 A CB 0.021 19.015 19.000 -0.010 0.000 0.816 439 A HN 0.169 nan 8.150 nan 0.000 0.447 440 R N -2.763 117.693 120.500 -0.073 0.000 2.544 440 R HA 0.255 4.601 4.340 0.010 0.000 0.303 440 R C 0.848 177.103 176.300 -0.074 0.000 0.939 440 R CA 0.546 56.605 56.100 -0.069 0.000 1.102 440 R CB 0.734 30.989 30.300 -0.076 0.000 1.440 440 R HN 0.679 nan 8.270 nan 0.000 0.532 441 G N 0.935 109.685 108.800 -0.084 0.000 2.137 441 G HA2 -0.161 3.805 3.960 0.010 0.000 0.237 441 G HA3 -0.161 3.805 3.960 0.010 0.000 0.237 441 G C 0.206 175.063 174.900 -0.072 0.000 1.002 441 G CA 0.015 45.056 45.100 -0.098 0.000 0.702 441 G HN 0.730 nan 8.290 nan 0.000 0.515 442 G N -2.376 106.395 108.800 -0.048 0.000 2.356 442 G HA2 0.534 4.500 3.960 0.010 0.000 0.300 442 G HA3 0.534 4.500 3.960 0.010 0.000 0.300 442 G C -0.809 174.097 174.900 0.011 0.000 1.331 442 G CA 0.401 45.508 45.100 0.012 0.000 0.905 442 G HN 1.951 nan 8.290 nan 0.000 0.587 443 C N 2.079 121.414 119.300 0.059 0.000 2.705 443 C HA 0.719 5.184 4.460 0.010 0.000 0.369 443 C C -2.527 172.429 174.990 -0.056 0.000 1.069 443 C CA -1.169 57.834 59.018 -0.026 0.000 1.260 443 C CB 1.311 28.965 27.740 -0.144 0.000 1.764 443 C HN 0.723 nan 8.230 nan 0.000 0.469 444 P HA 0.396 nan 4.420 nan 0.000 0.271 444 P C -0.678 176.484 177.300 -0.230 0.000 1.226 444 P CA 0.575 63.224 63.100 -0.751 0.000 0.765 444 P CB 1.077 32.046 31.700 -1.218 0.000 0.835 445 A N 2.816 125.583 122.820 -0.089 0.000 2.488 445 A HA 0.371 4.697 4.320 0.010 0.000 0.298 445 A C -0.890 176.746 177.584 0.087 0.000 1.044 445 A CA -0.591 51.492 52.037 0.078 0.000 0.693 445 A CB 1.230 20.396 19.000 0.278 0.000 1.272 445 A HN 0.457 nan 8.150 nan 0.000 0.402 446 D N 2.269 122.709 120.400 0.067 0.000 2.441 446 D HA 0.102 4.748 4.640 0.010 0.000 0.221 446 D C 0.872 177.301 176.300 0.215 0.000 1.156 446 D CA -0.421 53.651 54.000 0.119 0.000 0.896 446 D CB 0.261 41.073 40.800 0.021 0.000 1.028 446 D HN 0.602 nan 8.370 nan 0.000 0.509 447 W N 4.311 125.657 121.300 0.077 0.000 2.290 447 W HA -0.353 4.313 4.660 0.010 0.000 0.328 447 W C 2.085 178.651 176.519 0.080 0.000 1.272 447 W CA 2.771 60.153 57.345 0.061 0.000 1.262 447 W CB -0.216 29.256 29.460 0.020 0.000 1.151 447 W HN 0.555 nan 8.180 nan 0.000 0.473 448 A N -1.389 121.699 122.820 0.446 0.000 2.032 448 A HA -0.234 4.091 4.320 0.010 0.000 0.221 448 A C 1.514 179.162 177.584 0.106 0.000 1.165 448 A CA 1.801 54.013 52.037 0.292 0.000 0.645 448 A CB -1.303 17.911 19.000 0.357 0.000 0.807 448 A HN 0.569 nan 8.150 nan 0.000 0.453 449 W N -1.112 120.155 121.300 -0.055 0.000 2.762 449 W HA 0.211 4.877 4.660 0.009 0.000 0.265 449 W C 1.837 178.241 176.519 -0.192 0.000 1.263 449 W CA -0.087 57.203 57.345 -0.091 0.000 1.411 449 W CB 0.026 29.461 29.460 -0.041 0.000 1.065 449 W HN 0.142 nan 8.180 nan 0.000 0.609 450 I N -0.219 120.311 120.570 -0.066 0.000 2.406 450 I HA -0.058 4.118 4.170 0.010 0.000 0.249 450 I C 0.652 176.568 176.117 -0.335 0.000 1.122 450 I CA 0.767 61.904 61.300 -0.272 0.000 1.431 450 I CB -1.415 36.373 38.000 -0.352 0.000 1.087 450 I HN -0.425 nan 8.210 nan 0.000 0.424 451 V N 3.924 123.548 119.914 -0.483 0.000 2.521 451 V HA 0.084 4.210 4.120 0.010 0.000 0.286 451 V C -1.929 173.982 176.094 -0.305 0.000 1.034 451 V CA -1.077 60.932 62.300 -0.485 0.000 1.045 451 V CB 0.126 31.423 31.823 -0.876 0.000 0.974 451 V HN 0.128 nan 8.190 nan 0.000 0.480 452 P HA 0.108 nan 4.420 nan 0.000 0.267 452 P C -1.742 175.421 177.300 -0.228 0.000 1.200 452 P CA -1.067 61.903 63.100 -0.216 0.000 0.772 452 P CB 0.061 31.642 31.700 -0.197 0.000 0.855 453 P HA -0.036 nan 4.420 nan 0.000 0.230 453 P C 0.155 177.330 177.300 -0.208 0.000 1.158 453 P CA 1.228 64.198 63.100 -0.217 0.000 0.769 453 P CB 0.008 31.573 31.700 -0.225 0.000 0.807 454 I N -6.836 113.571 120.570 -0.272 0.000 2.769 454 I HA 0.457 4.633 4.170 0.010 0.000 0.298 454 I C -0.138 175.843 176.117 -0.225 0.000 1.128 454 I CA -1.202 59.953 61.300 -0.241 0.000 1.031 454 I CB 2.091 39.927 38.000 -0.273 0.000 1.235 454 I HN -0.395 nan 8.210 nan 0.000 0.423 455 S N 2.321 117.948 115.700 -0.122 0.000 3.587 455 S HA -0.196 4.280 4.470 0.010 0.000 0.337 455 S C 1.423 175.980 174.600 -0.072 0.000 1.119 455 S CA 0.850 59.020 58.200 -0.050 0.000 0.976 455 S CB -1.739 61.505 63.200 0.075 0.000 0.922 455 S HN 1.326 nan 8.310 nan 0.000 0.503 456 G N 2.324 111.054 108.800 -0.117 0.000 2.681 456 G HA2 -0.371 3.594 3.960 0.010 0.000 0.220 456 G HA3 -0.371 3.594 3.960 0.010 0.000 0.220 456 G C 1.428 176.178 174.900 -0.250 0.000 1.210 456 G CA 1.734 46.773 45.100 -0.102 0.000 0.783 456 G HN 1.356 nan 8.290 nan 0.000 0.609 457 S N 0.345 115.608 115.700 -0.728 0.000 2.555 457 S HA 0.190 4.666 4.470 0.010 0.000 0.230 457 S C 2.081 176.594 174.600 -0.145 0.000 0.978 457 S CA 0.651 58.296 58.200 -0.925 0.000 0.934 457 S CB -0.128 62.343 63.200 -1.214 0.000 0.766 457 S HN 0.344 nan 8.310 nan 0.000 0.533 458 L N 1.971 123.172 121.223 -0.037 0.000 2.478 458 L HA 0.110 4.456 4.340 0.010 0.000 0.223 458 L C 1.363 178.357 176.870 0.206 0.000 1.140 458 L CA 0.588 55.495 54.840 0.113 0.000 0.842 458 L CB -0.937 41.214 42.059 0.154 0.000 0.953 458 L HN 0.470 nan 8.230 nan 0.000 0.452 459 T N -4.040 110.626 114.554 0.186 0.000 2.929 459 T HA 0.287 4.643 4.350 0.010 0.000 0.284 459 T C -1.547 173.318 174.700 0.274 0.000 1.014 459 T CA -2.021 60.213 62.100 0.223 0.000 1.051 459 T CB 1.869 70.827 68.868 0.150 0.000 1.028 459 T HN -0.182 nan 8.240 nan 0.000 0.485 460 P HA -0.125 nan 4.420 nan 0.000 0.216 460 P C 1.852 179.356 177.300 0.340 0.000 1.150 460 P CA 1.370 64.671 63.100 0.335 0.000 0.837 460 P CB -0.380 31.463 31.700 0.239 0.000 0.786 461 V N -3.406 116.659 119.914 0.252 0.000 2.568 461 V HA -0.223 3.903 4.120 0.010 0.000 0.253 461 V C 2.393 178.600 176.094 0.189 0.000 1.072 461 V CA 1.449 63.877 62.300 0.214 0.000 1.084 461 V CB -2.332 29.557 31.823 0.110 0.000 0.676 461 V HN -0.105 nan 8.190 nan 0.000 0.469 462 F N 1.717 121.656 119.950 -0.018 0.000 2.161 462 F HA -0.154 4.379 4.527 0.009 0.000 0.300 462 F C 2.387 178.277 175.800 0.151 0.000 1.089 462 F CA 2.157 60.150 58.000 -0.012 0.000 1.282 462 F CB -0.226 38.625 39.000 -0.249 0.000 1.010 462 F HN 0.293 nan 8.300 nan 0.000 0.485 463 H N -0.907 118.474 119.070 0.518 0.000 2.526 463 H HA 0.133 4.694 4.556 0.010 0.000 0.274 463 H C 0.148 175.709 175.328 0.390 0.000 0.999 463 H CA 0.170 56.477 56.048 0.432 0.000 1.157 463 H CB -0.165 29.842 29.762 0.409 0.000 1.407 463 H HN 0.254 nan 8.280 nan 0.000 0.568 464 Q N 1.970 122.034 119.800 0.441 0.000 2.347 464 Q HA 0.174 4.520 4.340 0.010 0.000 0.262 464 Q C -0.588 175.629 176.000 0.362 0.000 0.980 464 Q CA -0.475 55.544 55.803 0.361 0.000 0.867 464 Q CB 0.857 29.779 28.738 0.307 0.000 1.242 464 Q HN 0.239 nan 8.270 nan 0.000 0.453 465 E N 3.334 123.695 120.200 0.268 0.000 2.404 465 E HA 0.270 4.625 4.350 0.010 0.000 0.261 465 E C -0.452 176.272 176.600 0.207 0.000 1.074 465 E CA 0.272 56.780 56.400 0.179 0.000 0.917 465 E CB 0.831 30.619 29.700 0.147 0.000 0.965 465 E HN 0.591 nan 8.360 nan 0.000 0.433 466 M N 1.254 120.973 119.600 0.200 0.000 2.501 466 M HA 0.344 4.830 4.480 0.010 0.000 0.293 466 M C -1.275 175.130 176.300 0.174 0.000 1.192 466 M CA -0.957 54.476 55.300 0.221 0.000 0.886 466 M CB 2.466 35.259 32.600 0.321 0.000 1.710 466 M HN 0.159 nan 8.290 nan 0.000 0.457 467 V N 1.743 121.770 119.914 0.189 0.000 2.417 467 V HA 0.405 4.530 4.120 0.010 0.000 0.291 467 V C -0.564 175.656 176.094 0.210 0.000 1.024 467 V CA -0.708 61.733 62.300 0.236 0.000 0.861 467 V CB 1.525 33.544 31.823 0.326 0.000 0.985 467 V HN 0.878 nan 8.190 nan 0.000 0.436 468 N N 3.431 122.239 118.700 0.180 0.000 2.399 468 N HA 0.728 5.474 4.740 0.010 0.000 0.295 468 N C -1.535 174.072 175.510 0.160 0.000 1.048 468 N CA -0.450 52.619 53.050 0.032 0.000 0.886 468 N CB 1.678 40.192 38.487 0.045 0.000 1.185 468 N HN 0.729 nan 8.380 nan 0.000 0.487 469 Y N 0.442 120.762 120.300 0.032 0.000 2.713 469 Y HA 0.462 5.018 4.550 0.010 0.000 0.335 469 Y C -1.500 174.404 175.900 0.007 0.000 1.222 469 Y CA -1.180 56.933 58.100 0.022 0.000 1.061 469 Y CB 0.701 39.179 38.460 0.030 0.000 1.314 469 Y HN 0.176 nan 8.280 nan 0.000 0.453 470 I N 3.364 124.043 120.570 0.182 0.000 2.321 470 I HA 0.448 4.624 4.170 0.010 0.000 0.291 470 I C -0.756 175.434 176.117 0.122 0.000 0.998 470 I CA -0.504 60.845 61.300 0.081 0.000 1.227 470 I CB 1.095 39.124 38.000 0.048 0.000 1.368 470 I HN 0.421 nan 8.210 nan 0.000 0.466 471 L N 4.987 126.249 121.223 0.065 0.000 2.341 471 L HA 0.574 4.920 4.340 0.010 0.000 0.267 471 L C -0.143 176.734 176.870 0.012 0.000 1.009 471 L CA -0.539 54.343 54.840 0.070 0.000 0.819 471 L CB 2.153 44.256 42.059 0.073 0.000 1.323 471 L HN 0.503 nan 8.230 nan 0.000 0.425 472 S N 1.389 117.106 115.700 0.028 0.000 2.536 472 S HA 0.645 5.121 4.470 0.010 0.000 0.298 472 S C -2.565 172.060 174.600 0.043 0.000 1.083 472 S CA -1.415 56.788 58.200 0.006 0.000 0.995 472 S CB 1.909 65.126 63.200 0.028 0.000 1.058 472 S HN 0.239 nan 8.310 nan 0.000 0.488 473 P HA 0.357 nan 4.420 nan 0.000 0.269 473 P C -1.294 175.893 177.300 -0.189 0.000 1.211 473 P CA 0.075 63.093 63.100 -0.136 0.000 0.781 473 P CB 0.417 31.988 31.700 -0.214 0.000 0.877 474 A N 0.921 123.583 122.820 -0.263 0.000 2.608 474 A HA 0.652 4.978 4.320 0.010 0.000 0.292 474 A C -1.720 175.655 177.584 -0.348 0.000 1.066 474 A CA -0.502 51.380 52.037 -0.259 0.000 0.676 474 A CB 0.720 19.645 19.000 -0.124 0.000 1.277 474 A HN 0.333 nan 8.150 nan 0.000 0.413 475 F N 1.284 121.149 119.950 -0.141 0.000 2.385 475 F HA 0.597 5.129 4.527 0.009 0.000 0.360 475 F C 0.962 176.650 175.800 -0.186 0.000 1.122 475 F CA -0.017 57.899 58.000 -0.140 0.000 1.090 475 F CB 1.664 40.543 39.000 -0.202 0.000 1.150 475 F HN 0.540 nan 8.300 nan 0.000 0.472 476 R N 1.880 122.399 120.500 0.032 0.000 2.873 476 R HA 0.504 4.850 4.340 0.010 0.000 0.264 476 R C -1.461 174.811 176.300 -0.048 0.000 1.026 476 R CA -1.207 54.844 56.100 -0.081 0.000 1.002 476 R CB 1.479 31.767 30.300 -0.021 0.000 1.174 476 R HN 0.388 nan 8.270 nan 0.000 0.488 477 Y N 1.141 121.461 120.300 0.033 0.000 2.307 477 Y HA 0.179 4.735 4.550 0.010 0.000 0.324 477 Y C 0.481 176.379 175.900 -0.002 0.000 1.238 477 Y CA -0.280 57.831 58.100 0.017 0.000 1.280 477 Y CB 1.044 39.501 38.460 -0.004 0.000 1.248 477 Y HN 0.445 nan 8.280 nan 0.000 0.508 478 Q N 1.701 121.594 119.800 0.155 0.000 2.421 478 Q HA 0.655 5.001 4.340 0.010 0.000 0.280 478 Q C -3.139 172.830 176.000 -0.051 0.000 1.085 478 Q CA -2.519 53.306 55.803 0.038 0.000 0.807 478 Q CB 2.254 31.007 28.738 0.024 0.000 1.405 478 Q HN 0.268 nan 8.270 nan 0.000 0.419 479 P HA 0.065 nan 4.420 nan 0.000 0.269 479 P C -0.916 176.171 177.300 -0.355 0.000 1.215 479 P CA -0.051 62.923 63.100 -0.210 0.000 0.780 479 P CB 0.413 32.003 31.700 -0.183 0.000 0.898 480 D N 3.130 123.184 120.400 -0.577 0.000 2.414 480 D HA 0.006 4.651 4.640 0.010 0.000 0.242 480 D C -1.026 174.677 176.300 -0.995 0.000 1.129 480 D CA -0.900 52.468 54.000 -1.053 0.000 0.885 480 D CB 0.317 40.003 40.800 -1.856 0.000 1.198 480 D HN 0.312 nan 8.370 nan 0.000 0.437 481 P HA -0.054 nan 4.420 nan 0.000 0.226 481 P C 0.264 177.225 177.300 -0.564 0.000 1.153 481 P CA 0.616 63.328 63.100 -0.648 0.000 0.777 481 P CB 0.142 31.503 31.700 -0.565 0.000 0.794 482 W N 0.000 120.885 121.300 -0.691 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.099 57.345 -0.410 0.000 1.226 482 W CB 0.000 29.183 29.460 -0.461 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535