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 2gwc_1_A DATA FIRST_RESID 77 DATA SEQUENCE ATEPLTREDL IAYLASGCKS KEKWRIGTEH EKFGFEVNTL RPXKYDQIAE DATA SEQUENCE LLNSIAERFE WEKVXEGDKI IGLKQGKQSI SLEPGGQFEL SGAPLETLHQ DATA SEQUENCE TcAEVNSHLY QVKAVAEEXG IGFLGXGFQP KWRREDIPTX PKGRYDIXRN DATA SEQUENCE YXPKVGSLGL DXXLRTCTVQ VNLDFSSEAD XIRKFRAGLA LQPIATALFA DATA SEQUENCE NSPFTEGKPN GFLSXRSHIW TDTDKDRTGX LPFVFDDSFG FEQYVDYALD DATA SEQUENCE VPXYFAYRNG KYVDcTGXTF RQFLAGKLPc LPGELPTYND WENHLTTIFP DATA SEQUENCE EVRLKRYXEX RGADGGPWRR LcALPAFWVG LLYDEDVLQS VLDLTADWTP DATA SEQUENCE AEREXLRNKV PVTGLKTPFR DGLLKHVAED VLKLAKDGLE RRGYKEVGFL DATA SEQUENCE NAVTEVVRTG VTPAENLLEX YNGEWGQSVD PVFQELLY 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 77 A HA 0.000 nan 4.320 nan 0.000 0.244 77 A C 0.000 177.582 177.584 -0.004 0.000 1.274 77 A CA 0.000 52.039 52.037 0.003 0.000 0.836 77 A CB 0.000 19.004 19.000 0.007 0.000 0.831 78 T N 1.927 116.475 114.554 -0.010 0.000 2.727 78 T HA 0.548 4.898 4.350 0.001 0.000 0.298 78 T C -0.353 174.333 174.700 -0.024 0.000 0.942 78 T CA 0.372 62.460 62.100 -0.020 0.000 0.997 78 T CB 0.557 69.412 68.868 -0.021 0.000 0.917 78 T HN 0.730 nan 8.240 nan 0.000 0.487 79 E N 4.470 124.649 120.200 -0.035 0.000 2.432 79 E HA 0.344 4.695 4.350 0.001 0.000 0.272 79 E C -2.602 173.958 176.600 -0.067 0.000 0.937 79 E CA -1.551 54.827 56.400 -0.037 0.000 0.812 79 E CB 0.831 30.522 29.700 -0.016 0.000 1.377 79 E HN 0.280 nan 8.360 nan 0.000 0.399 80 P HA 0.172 nan 4.420 nan 0.000 0.271 80 P C -0.338 176.876 177.300 -0.143 0.000 1.216 80 P CA -0.224 62.807 63.100 -0.116 0.000 0.776 80 P CB 0.688 32.328 31.700 -0.099 0.000 0.881 81 L N 2.054 123.145 121.223 -0.220 0.000 2.439 81 L HA 0.295 4.636 4.340 0.001 0.000 0.269 81 L C 1.372 178.117 176.870 -0.208 0.000 1.179 81 L CA -0.122 54.560 54.840 -0.262 0.000 0.828 81 L CB 0.397 42.192 42.059 -0.439 0.000 1.106 81 L HN 0.554 nan 8.230 nan 0.000 0.467 82 T N -1.525 112.925 114.554 -0.173 0.000 2.940 82 T HA 0.312 4.663 4.350 0.001 0.000 0.288 82 T C 0.832 175.428 174.700 -0.173 0.000 1.045 82 T CA -0.878 61.137 62.100 -0.141 0.000 1.018 82 T CB 1.928 70.743 68.868 -0.087 0.000 1.151 82 T HN 0.621 nan 8.240 nan 0.000 0.529 83 R N 0.312 120.723 120.500 -0.148 0.000 2.103 83 R HA -0.172 4.169 4.340 0.001 0.000 0.242 83 R C 2.216 178.449 176.300 -0.112 0.000 1.142 83 R CA 2.137 58.144 56.100 -0.155 0.000 0.960 83 R CB -0.382 29.862 30.300 -0.093 0.000 0.858 83 R HN 0.917 nan 8.270 nan 0.000 0.439 84 E N 0.012 120.173 120.200 -0.065 0.000 2.118 84 E HA -0.223 4.128 4.350 0.001 0.000 0.195 84 E C 1.047 177.640 176.600 -0.012 0.000 0.992 84 E CA 1.719 58.104 56.400 -0.026 0.000 0.804 84 E CB -0.019 29.672 29.700 -0.015 0.000 0.741 84 E HN 0.387 nan 8.360 nan 0.000 0.458 85 D N 0.536 120.920 120.400 -0.026 0.000 2.144 85 D HA -0.139 4.502 4.640 0.001 0.000 0.199 85 D C 2.127 178.471 176.300 0.074 0.000 0.984 85 D CA 0.800 54.831 54.000 0.051 0.000 0.834 85 D CB -0.162 40.657 40.800 0.032 0.000 0.955 85 D HN 0.300 nan 8.370 nan 0.000 0.465 86 L N 0.314 121.445 121.223 -0.152 0.000 2.093 86 L HA -0.099 4.241 4.340 0.001 0.000 0.208 86 L C 2.487 179.414 176.870 0.096 0.000 1.085 86 L CA 0.650 55.290 54.840 -0.334 0.000 0.755 86 L CB -0.362 41.084 42.059 -1.022 0.000 0.904 86 L HN 0.008 nan 8.230 nan 0.000 0.435 87 I N 0.340 120.946 120.570 0.061 0.000 2.179 87 I HA -0.270 3.901 4.170 0.001 0.000 0.242 87 I C 2.839 178.967 176.117 0.018 0.000 1.088 87 I CA 1.296 62.660 61.300 0.106 0.000 1.357 87 I CB -0.489 37.560 38.000 0.082 0.000 1.051 87 I HN 0.178 nan 8.210 nan 0.000 0.409 88 A N -0.092 122.745 122.820 0.028 0.000 1.972 88 A HA -0.274 4.047 4.320 0.001 0.000 0.219 88 A C 2.287 179.866 177.584 -0.010 0.000 1.169 88 A CA 1.396 53.422 52.037 -0.019 0.000 0.635 88 A CB -1.019 17.992 19.000 0.017 0.000 0.810 88 A HN 0.548 nan 8.150 nan 0.000 0.446 89 Y N 0.655 120.958 120.300 0.006 0.000 2.128 89 Y HA -0.222 4.329 4.550 0.001 0.000 0.284 89 Y C 1.966 177.863 175.900 -0.005 0.000 1.154 89 Y CA 2.028 60.148 58.100 0.033 0.000 1.149 89 Y CB -0.256 38.369 38.460 0.274 0.000 0.976 89 Y HN 0.237 nan 8.280 nan 0.000 0.505 90 L N -0.386 120.881 121.223 0.073 0.000 2.017 90 L HA -0.228 4.112 4.340 0.001 0.000 0.208 90 L C 2.790 179.367 176.870 -0.489 0.000 1.073 90 L CA 1.266 56.021 54.840 -0.141 0.000 0.745 90 L CB -1.152 40.886 42.059 -0.036 0.000 0.894 90 L HN 0.336 nan 8.230 nan 0.000 0.432 91 A N 0.192 122.495 122.820 -0.862 0.000 2.019 91 A HA -0.206 4.115 4.320 0.001 0.000 0.219 91 A C 2.470 179.896 177.584 -0.263 0.000 1.164 91 A CA 1.738 53.237 52.037 -0.897 0.000 0.644 91 A CB -0.648 17.972 19.000 -0.634 0.000 0.805 91 A HN 0.551 nan 8.150 nan 0.000 0.449 92 S N -0.403 115.150 115.700 -0.244 0.000 2.469 92 S HA 0.018 4.489 4.470 0.001 0.000 0.238 92 S C 1.783 176.288 174.600 -0.159 0.000 0.998 92 S CA 1.193 59.282 58.200 -0.184 0.000 0.957 92 S CB -0.850 62.204 63.200 -0.244 0.000 0.764 92 S HN 0.658 nan 8.310 nan 0.000 0.514 93 G N 0.285 109.000 108.800 -0.141 0.000 2.598 93 G HA2 -0.004 3.957 3.960 0.001 0.000 0.215 93 G HA3 -0.004 3.957 3.960 0.001 0.000 0.215 93 G C 0.529 175.278 174.900 -0.251 0.000 1.131 93 G CA 0.178 45.160 45.100 -0.196 0.000 0.785 93 G HN 0.593 nan 8.290 nan 0.000 0.539 94 C N 1.606 120.929 119.300 0.038 0.000 2.596 94 C HA 0.450 4.911 4.460 0.001 0.000 0.414 94 C C 0.672 175.684 174.990 0.036 0.000 1.396 94 C CA -0.341 58.758 59.018 0.135 0.000 1.698 94 C CB -0.882 27.025 27.740 0.277 0.000 2.572 94 C HN 0.602 nan 8.230 nan 0.000 0.604 95 K N 1.885 122.334 120.400 0.082 0.000 2.532 95 K HA 0.580 4.900 4.320 0.001 0.000 0.265 95 K C -0.512 176.198 176.600 0.184 0.000 0.948 95 K CA -0.371 55.978 56.287 0.104 0.000 0.842 95 K CB 1.238 33.774 32.500 0.060 0.000 1.392 95 K HN 0.583 nan 8.250 nan 0.000 0.436 96 S N 0.577 116.287 115.700 0.017 0.000 2.576 96 S HA -0.010 4.461 4.470 0.001 0.000 0.272 96 S C 1.087 175.383 174.600 -0.507 0.000 1.352 96 S CA -0.006 58.109 58.200 -0.142 0.000 1.021 96 S CB 1.307 64.423 63.200 -0.139 0.000 0.887 96 S HN 0.898 nan 8.310 nan 0.000 0.542 97 K N 1.232 121.093 120.400 -0.898 0.000 2.103 97 K HA -0.189 4.132 4.320 0.001 0.000 0.207 97 K C 2.052 178.053 176.600 -0.998 0.000 1.048 97 K CA 1.819 57.038 56.287 -1.779 0.000 0.930 97 K CB -0.292 31.382 32.500 -1.376 0.000 0.716 97 K HN 0.853 nan 8.250 nan 0.000 0.444 98 E N 0.386 120.282 120.200 -0.507 0.000 2.338 98 E HA -0.174 4.176 4.350 0.001 0.000 0.197 98 E C 0.739 177.247 176.600 -0.152 0.000 1.007 98 E CA 0.944 57.190 56.400 -0.257 0.000 0.849 98 E CB 0.115 29.716 29.700 -0.165 0.000 0.774 98 E HN 0.182 nan 8.360 nan 0.000 0.506 99 K N 0.249 120.554 120.400 -0.158 0.000 2.372 99 K HA 0.089 4.409 4.320 0.001 0.000 0.200 99 K C -0.201 176.465 176.600 0.110 0.000 1.022 99 K CA -0.253 56.021 56.287 -0.022 0.000 1.125 99 K CB 0.032 32.522 32.500 -0.017 0.000 0.855 99 K HN 0.097 nan 8.250 nan 0.000 0.524 100 W N 2.583 123.816 121.300 -0.112 0.000 2.251 100 W HA 0.136 4.796 4.660 0.000 0.000 0.327 100 W C 0.847 177.376 176.519 0.016 0.000 1.361 100 W CA -0.453 56.816 57.345 -0.127 0.000 1.234 100 W CB 0.195 29.390 29.460 -0.442 0.000 1.212 100 W HN -0.168 nan 8.180 nan 0.000 0.557 101 R N 2.576 123.240 120.500 0.273 0.000 2.930 101 R HA 0.654 4.994 4.340 0.001 0.000 0.257 101 R C -0.860 175.534 176.300 0.155 0.000 1.107 101 R CA -1.457 54.749 56.100 0.178 0.000 0.999 101 R CB 1.256 31.584 30.300 0.046 0.000 1.209 101 R HN 0.383 nan 8.270 nan 0.000 0.486 102 I N 0.327 120.928 120.570 0.051 0.000 2.410 102 I HA 0.394 4.565 4.170 0.001 0.000 0.286 102 I C 0.384 176.454 176.117 -0.077 0.000 1.009 102 I CA -0.629 60.652 61.300 -0.033 0.000 1.111 102 I CB 2.133 40.108 38.000 -0.042 0.000 1.262 102 I HN 0.539 nan 8.210 nan 0.000 0.443 103 G N 3.655 112.384 108.800 -0.118 0.000 2.417 103 G HA2 0.650 4.610 3.960 0.001 0.000 0.320 103 G HA3 0.650 4.610 3.960 0.001 0.000 0.320 103 G C -0.705 174.138 174.900 -0.097 0.000 1.204 103 G CA -0.286 44.735 45.100 -0.132 0.000 0.923 103 G HN 0.434 nan 8.290 nan 0.000 0.466 104 T N 2.270 116.786 114.554 -0.063 0.000 2.812 104 T HA 0.482 4.832 4.350 0.001 0.000 0.282 104 T C -0.486 174.213 174.700 -0.002 0.000 0.990 104 T CA -0.488 61.596 62.100 -0.027 0.000 0.960 104 T CB 1.783 70.642 68.868 -0.015 0.000 0.948 104 T HN 0.586 nan 8.240 nan 0.000 0.438 105 E N 2.079 122.286 120.200 0.011 0.000 2.238 105 E HA 0.588 4.939 4.350 0.001 0.000 0.267 105 E C -0.782 175.867 176.600 0.082 0.000 0.887 105 E CA -1.054 55.349 56.400 0.004 0.000 0.769 105 E CB 1.742 31.427 29.700 -0.025 0.000 1.187 105 E HN 0.883 nan 8.360 nan 0.000 0.416 106 H N -0.711 118.328 119.070 -0.053 0.000 3.012 106 H HA 0.542 5.098 4.556 0.001 0.000 0.367 106 H C -1.274 174.033 175.328 -0.034 0.000 1.211 106 H CA -1.034 55.002 56.048 -0.019 0.000 1.139 106 H CB 1.505 31.280 29.762 0.021 0.000 1.838 106 H HN 0.316 nan 8.280 nan 0.000 0.550 107 E N 1.400 121.578 120.200 -0.038 0.000 2.256 107 E HA 0.473 4.824 4.350 0.001 0.000 0.267 107 E C -1.117 175.494 176.600 0.019 0.000 0.892 107 E CA -1.270 55.072 56.400 -0.096 0.000 0.775 107 E CB 2.610 32.248 29.700 -0.103 0.000 1.207 107 E HN 0.527 nan 8.360 nan 0.000 0.420 108 K N 1.436 121.865 120.400 0.048 0.000 2.426 108 K HA 0.443 4.764 4.320 0.001 0.000 0.251 108 K C -1.235 175.500 176.600 0.224 0.000 0.941 108 K CA -0.817 55.610 56.287 0.234 0.000 0.808 108 K CB 1.550 34.278 32.500 0.379 0.000 1.265 108 K HN 0.270 nan 8.250 nan 0.000 0.432 109 F N 1.120 121.351 119.950 0.467 0.000 2.404 109 F HA 0.305 4.833 4.527 0.001 0.000 0.358 109 F C 1.181 177.184 175.800 0.337 0.000 1.120 109 F CA -0.345 57.876 58.000 0.368 0.000 1.144 109 F CB 1.100 40.275 39.000 0.292 0.000 1.133 109 F HN 0.568 nan 8.300 nan 0.000 0.495 110 G N 3.604 112.551 108.800 0.244 0.000 2.395 110 G HA2 0.533 4.493 3.960 0.001 0.000 0.283 110 G HA3 0.533 4.493 3.960 0.001 0.000 0.283 110 G C -1.341 173.521 174.900 -0.064 0.000 1.178 110 G CA -0.364 44.432 45.100 -0.506 0.000 0.837 110 G HN 0.586 nan 8.290 nan 0.000 0.518 111 F N -1.013 118.773 119.950 -0.274 0.000 2.645 111 F HA 0.593 5.121 4.527 0.001 0.000 0.310 111 F C -0.386 175.325 175.800 -0.148 0.000 1.102 111 F CA -1.537 56.402 58.000 -0.101 0.000 0.952 111 F CB 1.229 40.289 39.000 0.100 0.000 1.326 111 F HN 0.453 nan 8.300 nan 0.000 0.456 112 E N 1.670 121.880 120.200 0.018 0.000 2.290 112 E HA 0.213 4.564 4.350 0.001 0.000 0.277 112 E C 0.537 177.193 176.600 0.094 0.000 1.035 112 E CA -0.466 55.903 56.400 -0.051 0.000 0.873 112 E CB 2.100 31.771 29.700 -0.048 0.000 1.029 112 E HN 0.618 nan 8.360 nan 0.000 0.419 113 V N 3.522 123.425 119.914 -0.019 0.000 2.469 113 V HA -0.287 3.834 4.120 0.001 0.000 0.251 113 V C 1.480 177.630 176.094 0.094 0.000 1.064 113 V CA 1.674 64.037 62.300 0.105 0.000 1.066 113 V CB -0.411 31.410 31.823 -0.003 0.000 0.667 113 V HN 0.617 nan 8.190 nan 0.000 0.461 114 N N 0.112 118.828 118.700 0.027 0.000 2.368 114 N HA -0.061 4.680 4.740 0.001 0.000 0.176 114 N C 1.946 177.449 175.510 -0.011 0.000 1.021 114 N CA 1.718 54.770 53.050 0.002 0.000 0.888 114 N CB -0.076 38.404 38.487 -0.012 0.000 0.995 114 N HN 0.693 nan 8.380 nan 0.000 0.437 115 T N -1.709 112.843 114.554 -0.003 0.000 3.014 115 T HA 0.280 4.630 4.350 0.001 0.000 0.250 115 T C 1.060 175.771 174.700 0.019 0.000 1.060 115 T CA -0.085 62.016 62.100 0.002 0.000 1.040 115 T CB 0.152 69.013 68.868 -0.010 0.000 0.971 115 T HN 0.140 nan 8.240 nan 0.000 0.497 116 L N -0.871 120.342 121.223 -0.017 0.000 4.696 116 L HA -0.177 4.164 4.340 0.001 0.000 0.425 116 L C 0.248 177.196 176.870 0.130 0.000 1.115 116 L CA 0.091 54.825 54.840 -0.178 0.000 0.996 116 L CB -1.693 39.897 42.059 -0.781 0.000 2.077 116 L HN 0.306 nan 8.230 nan 0.000 0.792 117 R N 1.025 121.551 120.500 0.044 0.000 2.623 117 R HA 0.244 4.585 4.340 0.001 0.000 0.271 117 R C -1.753 174.448 176.300 -0.164 0.000 1.043 117 R CA -1.247 54.688 56.100 -0.276 0.000 1.083 117 R CB 0.019 30.128 30.300 -0.317 0.000 0.974 117 R HN -0.035 nan 8.270 nan 0.000 0.436 121 Y N 2.552 122.858 120.300 0.010 0.000 2.224 121 Y HA -0.246 4.304 4.550 0.001 0.000 0.289 121 Y C 1.948 177.861 175.900 0.021 0.000 1.146 121 Y CA 2.743 60.860 58.100 0.029 0.000 1.182 121 Y CB -0.006 38.471 38.460 0.029 0.000 0.983 121 Y HN 0.783 nan 8.280 nan 0.000 0.524 122 D N -0.342 119.985 120.400 -0.123 0.000 2.149 122 D HA -0.249 4.391 4.640 0.001 0.000 0.198 122 D C 1.627 177.811 176.300 -0.194 0.000 0.990 122 D CA 1.853 55.748 54.000 -0.174 0.000 0.839 122 D CB -0.713 40.057 40.800 -0.048 0.000 0.948 122 D HN 0.549 nan 8.370 nan 0.000 0.460 123 Q N -0.088 119.626 119.800 -0.143 0.000 2.172 123 Q HA 0.060 4.401 4.340 0.001 0.000 0.200 123 Q C 2.638 178.557 176.000 -0.135 0.000 0.964 123 Q CA 0.663 56.390 55.803 -0.126 0.000 0.855 123 Q CB 0.046 28.719 28.738 -0.108 0.000 0.918 123 Q HN 0.366 nan 8.270 nan 0.000 0.444 124 I N 0.670 121.150 120.570 -0.150 0.000 2.226 124 I HA -0.269 3.902 4.170 0.001 0.000 0.245 124 I C 2.378 178.410 176.117 -0.142 0.000 1.100 124 I CA 0.993 62.244 61.300 -0.081 0.000 1.374 124 I CB -0.309 37.707 38.000 0.027 0.000 1.057 124 I HN 0.164 nan 8.210 nan 0.000 0.413 125 A N 0.181 122.774 122.820 -0.378 0.000 1.898 125 A HA -0.258 4.063 4.320 0.001 0.000 0.216 125 A C 2.310 179.815 177.584 -0.133 0.000 1.181 125 A CA 1.853 53.709 52.037 -0.303 0.000 0.620 125 A CB -0.630 18.088 19.000 -0.470 0.000 0.819 125 A HN 0.498 nan 8.150 nan 0.000 0.442 126 E N -0.467 119.656 120.200 -0.128 0.000 2.058 126 E HA -0.227 4.124 4.350 0.001 0.000 0.194 126 E C 1.925 178.495 176.600 -0.051 0.000 0.997 126 E CA 1.486 57.840 56.400 -0.076 0.000 0.801 126 E CB -0.245 29.409 29.700 -0.077 0.000 0.746 126 E HN 0.425 nan 8.360 nan 0.000 0.450 127 L N 1.049 122.239 121.223 -0.054 0.000 1.989 127 L HA -0.199 4.141 4.340 0.001 0.000 0.211 127 L C 2.233 179.116 176.870 0.021 0.000 1.071 127 L CA 1.708 56.526 54.840 -0.037 0.000 0.749 127 L CB -0.594 41.414 42.059 -0.086 0.000 0.890 127 L HN 0.257 nan 8.230 nan 0.000 0.431 128 L N -0.422 120.837 121.223 0.060 0.000 2.017 128 L HA -0.230 4.110 4.340 0.001 0.000 0.208 128 L C 2.457 179.345 176.870 0.030 0.000 1.073 128 L CA 1.464 56.342 54.840 0.064 0.000 0.745 128 L CB -0.855 41.243 42.059 0.065 0.000 0.894 128 L HN 0.407 nan 8.230 nan 0.000 0.432 129 N N -0.415 118.295 118.700 0.016 0.000 2.120 129 N HA -0.149 4.592 4.740 0.001 0.000 0.188 129 N C 2.002 177.523 175.510 0.018 0.000 1.024 129 N CA 1.674 54.736 53.050 0.019 0.000 0.852 129 N CB -0.150 38.339 38.487 0.004 0.000 1.003 129 N HN 0.235 nan 8.380 nan 0.000 0.424 130 S N 1.254 116.956 115.700 0.004 0.000 2.368 130 S HA 0.036 4.507 4.470 0.001 0.000 0.224 130 S C 2.150 176.762 174.600 0.020 0.000 1.029 130 S CA 0.482 58.678 58.200 -0.007 0.000 0.988 130 S CB -0.098 63.091 63.200 -0.019 0.000 0.838 130 S HN 0.257 nan 8.310 nan 0.000 0.462 131 I N 1.803 122.415 120.570 0.071 0.000 2.208 131 I HA -0.248 3.923 4.170 0.001 0.000 0.245 131 I C 2.684 178.940 176.117 0.232 0.000 1.097 131 I CA 1.181 62.592 61.300 0.185 0.000 1.363 131 I CB -0.465 37.553 38.000 0.029 0.000 1.051 131 I HN 0.272 nan 8.210 nan 0.000 0.413 132 A N 0.031 122.943 122.820 0.153 0.000 1.902 132 A HA -0.258 4.063 4.320 0.001 0.000 0.217 132 A C 2.337 180.033 177.584 0.187 0.000 1.181 132 A CA 1.923 54.107 52.037 0.244 0.000 0.623 132 A CB -0.567 18.532 19.000 0.165 0.000 0.818 132 A HN 0.503 nan 8.150 nan 0.000 0.443 133 E N -0.530 119.717 120.200 0.078 0.000 2.072 133 E HA -0.136 4.215 4.350 0.001 0.000 0.190 133 E C 2.291 178.857 176.600 -0.057 0.000 0.982 133 E CA 0.707 57.115 56.400 0.014 0.000 0.803 133 E CB -0.044 29.648 29.700 -0.014 0.000 0.755 133 E HN 0.582 nan 8.360 nan 0.000 0.453 134 R N -0.896 119.497 120.500 -0.180 0.000 2.075 134 R HA -0.033 4.307 4.340 0.001 0.000 0.226 134 R C 1.200 177.190 176.300 -0.516 0.000 1.114 134 R CA 1.041 56.838 56.100 -0.505 0.000 0.972 134 R CB 0.057 29.755 30.300 -1.004 0.000 0.869 134 R HN 0.182 nan 8.270 nan 0.000 0.437 135 F N 0.336 120.410 119.950 0.207 0.000 2.688 135 F HA 0.246 4.774 4.527 0.001 0.000 0.310 135 F C -0.399 175.545 175.800 0.241 0.000 1.098 135 F CA -0.589 57.573 58.000 0.269 0.000 1.228 135 F CB 0.182 39.423 39.000 0.401 0.000 1.042 135 F HN -0.107 nan 8.300 nan 0.000 0.557 136 E N -0.463 119.912 120.200 0.292 0.000 2.313 136 E HA -0.224 4.127 4.350 0.001 0.000 0.190 136 E C -1.346 175.301 176.600 0.078 0.000 1.406 136 E CA 0.108 56.593 56.400 0.142 0.000 0.668 136 E CB -1.258 28.468 29.700 0.042 0.000 1.135 136 E HN 0.368 nan 8.360 nan 0.000 0.375 137 W N 0.882 122.233 121.300 0.086 0.000 2.689 137 W HA 0.353 5.014 4.660 0.001 0.000 0.340 137 W C 0.557 177.105 176.519 0.048 0.000 1.060 137 W CA -0.659 56.729 57.345 0.070 0.000 1.218 137 W CB 0.934 30.446 29.460 0.086 0.000 1.410 137 W HN 0.143 nan 8.180 nan 0.000 0.528 138 E N 2.881 123.233 120.200 0.252 0.000 2.313 138 E HA 0.152 4.503 4.350 0.001 0.000 0.276 138 E C -0.532 176.174 176.600 0.178 0.000 1.031 138 E CA -0.345 56.153 56.400 0.164 0.000 0.857 138 E CB 0.657 30.417 29.700 0.100 0.000 1.040 138 E HN 0.311 nan 8.360 nan 0.000 0.408 139 K N 2.679 123.155 120.400 0.126 0.000 2.322 139 K HA 0.204 4.525 4.320 0.001 0.000 0.283 139 K C -0.425 176.224 176.600 0.082 0.000 1.042 139 K CA -0.523 55.824 56.287 0.101 0.000 0.958 139 K CB 1.438 33.986 32.500 0.080 0.000 0.984 139 K HN 0.276 nan 8.250 nan 0.000 0.473 143 G N 4.731 113.567 108.800 0.059 0.000 2.561 143 G HA2 -0.404 3.556 3.960 0.001 0.000 0.289 143 G HA3 -0.404 3.556 3.960 0.001 0.000 0.289 143 G C 0.369 175.296 174.900 0.046 0.000 1.169 143 G CA 0.753 45.880 45.100 0.045 0.000 0.980 143 G HN 0.724 nan 8.290 nan 0.000 0.550 144 D N 0.585 121.011 120.400 0.043 0.000 2.342 144 D HA 0.312 4.952 4.640 0.001 0.000 0.221 144 D C 0.487 176.831 176.300 0.074 0.000 1.101 144 D CA 0.255 54.285 54.000 0.051 0.000 0.837 144 D CB 0.327 41.152 40.800 0.042 0.000 0.938 144 D HN 0.316 nan 8.370 nan 0.000 0.508 145 K N 1.162 121.609 120.400 0.079 0.000 2.265 145 K HA 0.311 4.632 4.320 0.001 0.000 0.267 145 K C -0.329 176.361 176.600 0.151 0.000 0.994 145 K CA -0.878 55.492 56.287 0.137 0.000 0.860 145 K CB 2.266 34.798 32.500 0.054 0.000 1.099 145 K HN 0.226 nan 8.250 nan 0.000 0.448 146 I N 4.621 125.302 120.570 0.185 0.000 2.598 146 I HA -0.061 4.109 4.170 0.001 0.000 0.284 146 I C 0.852 177.090 176.117 0.201 0.000 1.140 146 I CA 0.202 61.589 61.300 0.145 0.000 1.420 146 I CB 0.382 38.439 38.000 0.095 0.000 1.387 146 I HN 0.627 nan 8.210 nan 0.000 0.553 147 I N 4.880 125.524 120.570 0.123 0.000 4.240 147 I HA 0.630 4.801 4.170 0.001 0.000 0.331 147 I C 0.453 176.594 176.117 0.040 0.000 1.381 147 I CA -0.135 61.232 61.300 0.111 0.000 1.136 147 I CB 0.366 38.387 38.000 0.035 0.000 1.137 147 I HN 0.554 nan 8.210 nan 0.000 0.411 148 G N 0.966 109.775 108.800 0.017 0.000 2.430 148 G HA2 0.646 4.606 3.960 0.001 0.000 0.300 148 G HA3 0.646 4.606 3.960 0.001 0.000 0.300 148 G C -2.048 172.841 174.900 -0.018 0.000 1.330 148 G CA -0.740 44.332 45.100 -0.046 0.000 0.813 148 G HN 0.058 nan 8.290 nan 0.000 0.487 149 L N -0.536 120.665 121.223 -0.036 0.000 2.376 149 L HA 0.771 5.111 4.340 0.001 0.000 0.258 149 L C -0.504 176.523 176.870 0.261 0.000 1.013 149 L CA -0.938 53.957 54.840 0.092 0.000 0.822 149 L CB 2.879 44.910 42.059 -0.046 0.000 1.388 149 L HN 0.567 nan 8.230 nan 0.000 0.413 150 K N 1.652 122.309 120.400 0.429 0.000 2.501 150 K HA 0.477 4.798 4.320 0.001 0.000 0.252 150 K C -1.688 175.049 176.600 0.228 0.000 0.934 150 K CA -0.558 55.931 56.287 0.337 0.000 0.797 150 K CB 2.345 34.933 32.500 0.147 0.000 1.270 150 K HN 0.602 nan 8.250 nan 0.000 0.431 151 Q N 3.053 122.801 119.800 -0.086 0.000 2.334 151 Q HA 0.312 4.653 4.340 0.001 0.000 0.249 151 Q C 0.020 175.820 176.000 -0.333 0.000 0.909 151 Q CA 0.217 55.731 55.803 -0.482 0.000 0.823 151 Q CB 1.396 29.266 28.738 -1.445 0.000 1.353 151 Q HN 0.896 nan 8.270 nan 0.000 0.433 152 G N 3.856 112.538 108.800 -0.197 0.000 2.622 152 G HA2 -0.391 3.570 3.960 0.001 0.000 0.307 152 G HA3 -0.391 3.570 3.960 0.001 0.000 0.307 152 G C 0.194 175.044 174.900 -0.084 0.000 1.226 152 G CA 0.617 45.640 45.100 -0.129 0.000 0.997 152 G HN 0.635 nan 8.290 nan 0.000 0.551 153 K N 1.278 121.631 120.400 -0.077 0.000 2.437 153 K HA 0.229 4.549 4.320 0.001 0.000 0.198 153 K C 0.991 177.571 176.600 -0.034 0.000 1.024 153 K CA 0.149 56.405 56.287 -0.052 0.000 1.148 153 K CB 0.392 32.857 32.500 -0.058 0.000 0.860 153 K HN 0.482 nan 8.250 nan 0.000 0.515 154 Q N 0.139 119.924 119.800 -0.024 0.000 2.235 154 Q HA 0.365 4.706 4.340 0.001 0.000 0.256 154 Q C -0.744 175.369 176.000 0.188 0.000 0.951 154 Q CA -0.459 55.384 55.803 0.068 0.000 0.890 154 Q CB 2.186 30.997 28.738 0.122 0.000 1.279 154 Q HN -0.053 nan 8.270 nan 0.000 0.444 155 S N 1.316 117.113 115.700 0.162 0.000 2.549 155 S HA 0.588 5.059 4.470 0.001 0.000 0.280 155 S C -0.815 173.756 174.600 -0.049 0.000 1.109 155 S CA -0.619 57.660 58.200 0.131 0.000 0.905 155 S CB 1.099 64.317 63.200 0.030 0.000 1.081 155 S HN 0.416 nan 8.310 nan 0.000 0.477 156 I N 2.703 123.169 120.570 -0.173 0.000 2.378 156 I HA 0.515 4.685 4.170 0.001 0.000 0.291 156 I C 0.089 176.006 176.117 -0.334 0.000 0.992 156 I CA -0.159 60.887 61.300 -0.423 0.000 1.154 156 I CB 1.774 39.382 38.000 -0.654 0.000 1.315 156 I HN 0.743 nan 8.210 nan 0.000 0.448 157 S N 6.393 121.880 115.700 -0.357 0.000 2.697 157 S HA 0.781 5.251 4.470 0.001 0.000 0.289 157 S C -0.955 173.513 174.600 -0.219 0.000 1.149 157 S CA -0.985 57.086 58.200 -0.215 0.000 0.850 157 S CB 1.887 65.025 63.200 -0.104 0.000 1.151 157 S HN 0.419 nan 8.310 nan 0.000 0.491 158 L N 1.351 122.544 121.223 -0.049 0.000 2.341 158 L HA 0.586 4.926 4.340 0.001 0.000 0.278 158 L C 0.133 177.100 176.870 0.162 0.000 1.005 158 L CA -0.803 54.072 54.840 0.059 0.000 0.818 158 L CB 1.568 43.715 42.059 0.146 0.000 1.259 158 L HN 0.658 nan 8.230 nan 0.000 0.418 159 E N 2.786 123.044 120.200 0.095 0.000 2.351 159 E HA 0.192 4.542 4.350 0.001 0.000 0.255 159 E C -1.712 174.850 176.600 -0.063 0.000 1.188 159 E CA -1.730 54.673 56.400 0.005 0.000 0.940 159 E CB 0.687 30.344 29.700 -0.072 0.000 1.094 159 E HN 0.308 nan 8.360 nan 0.000 0.474 160 P HA -0.101 nan 4.420 nan 0.000 0.218 160 P C 0.864 178.110 177.300 -0.091 0.000 1.148 160 P CA 1.455 64.293 63.100 -0.437 0.000 0.822 160 P CB 0.194 31.506 31.700 -0.646 0.000 0.784 161 G N -2.175 106.595 108.800 -0.049 0.000 3.284 161 G HA2 0.348 4.308 3.960 0.001 0.000 0.236 161 G HA3 0.348 4.308 3.960 0.001 0.000 0.236 161 G C 0.968 175.935 174.900 0.112 0.000 1.158 161 G CA 0.257 45.380 45.100 0.038 0.000 0.774 161 G HN 0.376 nan 8.290 nan 0.000 0.545 162 G N -0.530 108.349 108.800 0.132 0.000 2.157 162 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 162 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 162 G C 0.314 175.356 174.900 0.237 0.000 0.979 162 G CA 0.033 45.254 45.100 0.201 0.000 0.650 162 G HN 0.598 nan 8.290 nan 0.000 0.529 163 Q N -0.657 119.241 119.800 0.162 0.000 2.286 163 Q HA 0.498 4.838 4.340 0.001 0.000 0.290 163 Q C -0.141 175.962 176.000 0.170 0.000 1.049 163 Q CA 0.148 56.024 55.803 0.122 0.000 0.923 163 Q CB 0.475 29.166 28.738 -0.079 0.000 1.183 163 Q HN 0.346 nan 8.270 nan 0.000 0.383 164 F N 2.184 122.165 119.950 0.052 0.000 2.361 164 F HA 0.225 4.753 4.527 0.001 0.000 0.364 164 F C -0.058 175.665 175.800 -0.129 0.000 1.120 164 F CA -0.445 57.563 58.000 0.013 0.000 1.102 164 F CB 0.732 39.800 39.000 0.114 0.000 1.183 164 F HN 0.470 nan 8.300 nan 0.000 0.476 165 E N 6.005 125.969 120.200 -0.392 0.000 2.171 165 E HA 0.399 4.750 4.350 0.001 0.000 0.271 165 E C -1.825 174.438 176.600 -0.562 0.000 0.916 165 E CA -1.095 55.059 56.400 -0.410 0.000 0.774 165 E CB 1.645 31.194 29.700 -0.251 0.000 1.128 165 E HN 0.639 nan 8.360 nan 0.000 0.403 166 L N 3.431 124.236 121.223 -0.696 0.000 2.296 166 L HA 0.402 4.743 4.340 0.001 0.000 0.286 166 L C -1.185 175.484 176.870 -0.336 0.000 1.023 166 L CA -0.123 54.339 54.840 -0.629 0.000 0.812 166 L CB 1.750 43.266 42.059 -0.904 0.000 1.223 166 L HN 0.348 nan 8.230 nan 0.000 0.421 167 S N 3.935 119.512 115.700 -0.205 0.000 2.420 167 S HA 0.692 5.162 4.470 0.001 0.000 0.313 167 S C 0.353 174.913 174.600 -0.067 0.000 1.079 167 S CA -0.461 57.676 58.200 -0.104 0.000 1.104 167 S CB 0.963 64.124 63.200 -0.066 0.000 0.969 167 S HN 0.939 nan 8.310 nan 0.000 0.471 168 G N 1.824 110.592 108.800 -0.054 0.000 2.580 168 G HA2 0.595 4.555 3.960 0.001 0.000 0.278 168 G HA3 0.595 4.555 3.960 0.001 0.000 0.278 168 G C 0.097 174.969 174.900 -0.047 0.000 1.212 168 G CA -0.670 44.411 45.100 -0.031 0.000 0.939 168 G HN 0.890 nan 8.290 nan 0.000 0.513 169 A N 0.486 123.280 122.820 -0.042 0.000 2.313 169 A HA 0.638 4.958 4.320 0.001 0.000 0.261 169 A C -2.076 175.462 177.584 -0.075 0.000 1.090 169 A CA -1.055 50.946 52.037 -0.060 0.000 0.807 169 A CB 0.212 19.180 19.000 -0.053 0.000 1.055 169 A HN 0.487 nan 8.150 nan 0.000 0.492 170 P HA 0.386 nan 4.420 nan 0.000 0.276 170 P C -1.042 176.226 177.300 -0.052 0.000 1.264 170 P CA 0.429 63.477 63.100 -0.087 0.000 0.769 170 P CB 0.330 31.968 31.700 -0.102 0.000 0.840 171 L N 2.217 123.415 121.223 -0.041 0.000 2.319 171 L HA 0.384 4.724 4.340 0.001 0.000 0.267 171 L C 1.768 178.629 176.870 -0.015 0.000 1.011 171 L CA -0.657 54.162 54.840 -0.034 0.000 0.818 171 L CB 2.128 44.161 42.059 -0.043 0.000 1.316 171 L HN 0.295 nan 8.230 nan 0.000 0.432 172 E N -0.009 120.170 120.200 -0.035 0.000 2.122 172 E HA -0.043 4.308 4.350 0.001 0.000 0.190 172 E C 0.232 176.768 176.600 -0.107 0.000 0.977 172 E CA 0.792 57.166 56.400 -0.042 0.000 0.820 172 E CB 0.536 30.183 29.700 -0.088 0.000 0.770 172 E HN 0.744 nan 8.360 nan 0.000 0.462 173 T N -3.257 111.202 114.554 -0.158 0.000 2.916 173 T HA 0.320 4.671 4.350 0.001 0.000 0.292 173 T C 0.839 175.464 174.700 -0.124 0.000 1.064 173 T CA -0.759 61.228 62.100 -0.188 0.000 1.011 173 T CB 1.272 69.948 68.868 -0.320 0.000 1.152 173 T HN 0.022 nan 8.240 nan 0.000 0.510 174 L N 0.661 121.779 121.223 -0.174 0.000 2.395 174 L HA 0.041 4.382 4.340 0.001 0.000 0.218 174 L C 2.605 179.237 176.870 -0.397 0.000 1.130 174 L CA 0.581 55.208 54.840 -0.355 0.000 0.826 174 L CB -0.588 41.188 42.059 -0.472 0.000 0.941 174 L HN 0.741 nan 8.230 nan 0.000 0.451 175 H N 0.132 119.246 119.070 0.074 0.000 2.353 175 H HA -0.146 4.410 4.556 0.000 0.000 0.300 175 H C 2.125 177.497 175.328 0.073 0.000 1.090 175 H CA 1.425 57.599 56.048 0.211 0.000 1.327 175 H CB -0.073 29.809 29.762 0.201 0.000 1.383 175 H HN 0.491 nan 8.280 nan 0.000 0.508 176 Q N -0.116 119.748 119.800 0.106 0.000 2.079 176 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 176 Q C 2.305 178.305 176.000 0.001 0.000 0.974 176 Q CA 1.696 57.522 55.803 0.039 0.000 0.840 176 Q CB -0.028 28.708 28.738 -0.003 0.000 0.898 176 Q HN 0.339 nan 8.270 nan 0.000 0.430 177 T N 0.290 114.807 114.554 -0.061 0.000 2.684 177 T HA -0.237 4.113 4.350 0.001 0.000 0.267 177 T C 1.930 176.601 174.700 -0.048 0.000 1.036 177 T CA 1.299 63.349 62.100 -0.083 0.000 1.148 177 T CB -0.570 68.200 68.868 -0.163 0.000 0.863 177 T HN 0.412 nan 8.240 nan 0.000 0.436 178 c N 1.259 119.820 118.600 -0.065 0.000 2.446 178 c HA 0.300 4.870 4.570 0.001 0.000 0.279 178 c C 3.093 177.263 174.090 0.133 0.000 1.366 178 c CA 0.325 56.697 56.329 0.073 0.000 1.763 178 c CB -1.475 41.144 42.510 0.182 0.000 1.929 178 c HN 0.619 nan 8.230 nan 0.000 0.509 179 A N -0.310 122.576 122.820 0.110 0.000 1.930 179 A HA -0.175 4.146 4.320 0.001 0.000 0.217 179 A C 2.156 179.772 177.584 0.053 0.000 1.175 179 A CA 1.725 53.808 52.037 0.077 0.000 0.627 179 A CB -0.702 18.340 19.000 0.071 0.000 0.815 179 A HN 0.756 nan 8.150 nan 0.000 0.443 180 E N -0.063 120.167 120.200 0.051 0.000 2.051 180 E HA -0.138 4.212 4.350 0.001 0.000 0.192 180 E C 1.913 178.571 176.600 0.097 0.000 0.991 180 E CA 1.476 57.912 56.400 0.060 0.000 0.799 180 E CB -0.131 29.592 29.700 0.038 0.000 0.748 180 E HN 0.319 nan 8.360 nan 0.000 0.449 181 V N 2.376 122.342 119.914 0.087 0.000 2.255 181 V HA -0.328 3.793 4.120 0.001 0.000 0.247 181 V C 2.524 178.674 176.094 0.094 0.000 1.051 181 V CA 2.145 64.507 62.300 0.103 0.000 1.018 181 V CB -0.875 30.992 31.823 0.074 0.000 0.641 181 V HN 0.465 nan 8.190 nan 0.000 0.445 182 N N -0.098 118.628 118.700 0.044 0.000 2.104 182 N HA -0.212 4.528 4.740 0.001 0.000 0.190 182 N C 2.157 177.672 175.510 0.008 0.000 1.024 182 N CA 1.958 54.986 53.050 -0.038 0.000 0.853 182 N CB -0.100 38.324 38.487 -0.104 0.000 1.008 182 N HN 0.462 nan 8.380 nan 0.000 0.424 183 S N -0.262 115.461 115.700 0.040 0.000 2.370 183 S HA -0.227 4.243 4.470 0.001 0.000 0.226 183 S C 2.002 176.649 174.600 0.078 0.000 1.033 183 S CA 1.634 59.864 58.200 0.051 0.000 1.011 183 S CB -0.642 62.592 63.200 0.056 0.000 0.852 183 S HN 0.615 nan 8.310 nan 0.000 0.457 184 H N 1.104 120.184 119.070 0.017 0.000 2.321 184 H HA 0.102 4.658 4.556 0.001 0.000 0.300 184 H C 1.956 177.230 175.328 -0.090 0.000 1.087 184 H CA 2.113 58.154 56.048 -0.013 0.000 1.319 184 H CB -0.564 29.219 29.762 0.036 0.000 1.379 184 H HN 0.383 nan 8.280 nan 0.000 0.501 185 L N -0.768 120.345 121.223 -0.184 0.000 2.083 185 L HA -0.204 4.136 4.340 0.001 0.000 0.209 185 L C 2.283 179.018 176.870 -0.226 0.000 1.083 185 L CA 1.571 56.252 54.840 -0.264 0.000 0.752 185 L CB -0.652 41.339 42.059 -0.114 0.000 0.899 185 L HN 0.353 nan 8.230 nan 0.000 0.433 186 Y N 0.953 121.123 120.300 -0.216 0.000 2.145 186 Y HA -0.283 4.267 4.550 0.001 0.000 0.286 186 Y C 2.714 178.460 175.900 -0.257 0.000 1.145 186 Y CA 1.671 59.654 58.100 -0.194 0.000 1.148 186 Y CB -0.220 38.138 38.460 -0.170 0.000 0.981 186 Y HN 0.160 nan 8.280 nan 0.000 0.507 187 Q N -0.734 118.801 119.800 -0.442 0.000 2.084 187 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 187 Q C 2.351 178.112 176.000 -0.398 0.000 0.978 187 Q CA 1.918 57.318 55.803 -0.672 0.000 0.844 187 Q CB -0.317 27.977 28.738 -0.740 0.000 0.898 187 Q HN 0.404 nan 8.270 nan 0.000 0.426 188 V N 1.318 120.959 119.914 -0.456 0.000 2.261 188 V HA -0.280 3.840 4.120 0.001 0.000 0.246 188 V C 1.981 177.889 176.094 -0.309 0.000 1.047 188 V CA 1.970 63.999 62.300 -0.451 0.000 1.015 188 V CB -0.372 30.988 31.823 -0.772 0.000 0.642 188 V HN 0.292 nan 8.190 nan 0.000 0.446 189 K N 0.252 120.469 120.400 -0.306 0.000 2.148 189 K HA -0.021 4.300 4.320 0.001 0.000 0.204 189 K C 2.236 178.707 176.600 -0.214 0.000 1.050 189 K CA 1.231 57.404 56.287 -0.190 0.000 0.942 189 K CB -0.420 31.992 32.500 -0.147 0.000 0.724 189 K HN 0.463 nan 8.250 nan 0.000 0.446 190 A N 0.785 123.389 122.820 -0.359 0.000 1.978 190 A HA -0.124 4.197 4.320 0.001 0.000 0.220 190 A C 2.249 179.781 177.584 -0.086 0.000 1.170 190 A CA 1.471 53.340 52.037 -0.279 0.000 0.636 190 A CB -0.370 18.394 19.000 -0.394 0.000 0.810 190 A HN 0.083 nan 8.150 nan 0.000 0.448 191 V N -1.102 118.776 119.914 -0.060 0.000 2.492 191 V HA 0.009 4.129 4.120 0.001 0.000 0.241 191 V C 2.909 178.967 176.094 -0.059 0.000 1.041 191 V CA 1.356 63.637 62.300 -0.032 0.000 1.057 191 V CB -0.806 31.014 31.823 -0.005 0.000 0.711 191 V HN 0.541 nan 8.190 nan 0.000 0.468 192 A N -0.456 122.322 122.820 -0.070 0.000 2.015 192 A HA -0.185 4.135 4.320 0.001 0.000 0.219 192 A C 2.110 179.648 177.584 -0.078 0.000 1.163 192 A CA 1.545 53.545 52.037 -0.061 0.000 0.646 192 A CB -0.388 18.628 19.000 0.025 0.000 0.806 192 A HN 0.588 nan 8.150 nan 0.000 0.448 193 E N 0.465 120.624 120.200 -0.068 0.000 2.077 193 E HA -0.141 4.210 4.350 0.001 0.000 0.193 193 E C 0.542 177.109 176.600 -0.054 0.000 0.989 193 E CA 0.841 57.205 56.400 -0.059 0.000 0.800 193 E CB -0.070 29.603 29.700 -0.046 0.000 0.746 193 E HN 0.789 nan 8.360 nan 0.000 0.452 197 I N 1.672 122.110 120.570 -0.220 0.000 2.441 197 I HA 0.670 4.840 4.170 0.001 0.000 0.295 197 I C 0.674 176.499 176.117 -0.488 0.000 0.994 197 I CA -0.565 60.505 61.300 -0.383 0.000 1.144 197 I CB 1.372 39.160 38.000 -0.354 0.000 1.314 197 I HN 0.084 nan 8.210 nan 0.000 0.445 198 G N 4.874 113.118 108.800 -0.928 0.000 2.568 198 G HA2 0.740 4.700 3.960 0.001 0.000 0.313 198 G HA3 0.740 4.700 3.960 0.001 0.000 0.313 198 G C -1.653 172.576 174.900 -1.119 0.000 1.227 198 G CA -0.351 44.198 45.100 -0.918 0.000 0.979 198 G HN 0.276 nan 8.290 nan 0.000 0.486 199 F N -0.566 119.333 119.950 -0.085 0.000 2.520 199 F HA 0.569 5.096 4.527 0.001 0.000 0.322 199 F C -0.188 176.021 175.800 0.681 0.000 1.103 199 F CA -0.767 57.430 58.000 0.327 0.000 0.926 199 F CB 2.533 41.688 39.000 0.260 0.000 1.154 199 F HN 0.340 nan 8.300 nan 0.000 0.453 200 L N 2.678 124.420 121.223 0.865 0.000 2.341 200 L HA 0.895 5.236 4.340 0.001 0.000 0.278 200 L C -0.160 177.056 176.870 0.577 0.000 1.005 200 L CA 0.019 55.201 54.840 0.569 0.000 0.818 200 L CB 1.364 43.639 42.059 0.361 0.000 1.259 200 L HN 0.643 nan 8.230 nan 0.000 0.418 204 F N 1.599 121.737 119.950 0.313 0.000 2.581 204 F HA 0.686 5.214 4.527 0.001 0.000 0.311 204 F C -0.429 175.366 175.800 -0.008 0.000 1.113 204 F CA -1.287 56.845 58.000 0.221 0.000 0.935 204 F CB 2.288 41.342 39.000 0.090 0.000 1.232 204 F HN 0.018 nan 8.300 nan 0.000 0.445 205 Q N 7.878 127.160 119.800 -0.864 0.000 2.239 205 Q HA 0.178 4.519 4.340 0.001 0.000 0.286 205 Q C -2.162 173.607 176.000 -0.385 0.000 1.102 205 Q CA -1.018 54.198 55.803 -0.978 0.000 0.936 205 Q CB 0.944 29.133 28.738 -0.916 0.000 1.127 205 Q HN 0.376 nan 8.270 nan 0.000 0.380 206 P HA 0.013 nan 4.420 nan 0.000 0.240 206 P C 0.089 177.368 177.300 -0.035 0.000 1.190 206 P CA 0.710 63.836 63.100 0.043 0.000 0.781 206 P CB 0.510 32.235 31.700 0.042 0.000 0.931 207 K N -1.467 118.835 120.400 -0.165 0.000 2.380 207 K HA 0.110 4.431 4.320 0.001 0.000 0.200 207 K C -0.026 176.259 176.600 -0.525 0.000 1.201 207 K CA 0.120 56.136 56.287 -0.453 0.000 0.916 207 K CB 0.299 32.331 32.500 -0.779 0.000 1.187 207 K HN -0.037 nan 8.250 nan 0.000 0.498 208 W N 2.286 123.564 121.300 -0.036 0.000 2.516 208 W HA 0.428 5.088 4.660 0.001 0.000 0.343 208 W C 0.073 176.571 176.519 -0.036 0.000 1.094 208 W CA -1.097 56.222 57.345 -0.044 0.000 1.250 208 W CB 0.934 30.357 29.460 -0.062 0.000 1.308 208 W HN -0.157 nan 8.180 nan 0.000 0.588 209 R N 1.148 121.807 120.500 0.265 0.000 2.649 209 R HA 0.212 4.553 4.340 0.001 0.000 0.270 209 R C 1.666 178.035 176.300 0.115 0.000 1.105 209 R CA -0.744 55.449 56.100 0.155 0.000 1.193 209 R CB 0.552 30.930 30.300 0.131 0.000 1.120 209 R HN 0.565 nan 8.270 nan 0.000 0.561 210 R N 1.466 122.014 120.500 0.080 0.000 2.091 210 R HA -0.164 4.176 4.340 0.001 0.000 0.238 210 R C 1.517 177.837 176.300 0.033 0.000 1.136 210 R CA 2.018 58.146 56.100 0.047 0.000 0.959 210 R CB 0.020 30.346 30.300 0.043 0.000 0.856 210 R HN 0.674 nan 8.270 nan 0.000 0.437 211 E N -0.274 119.949 120.200 0.039 0.000 2.511 211 E HA -0.123 4.227 4.350 0.001 0.000 0.196 211 E C 0.276 176.882 176.600 0.010 0.000 1.066 211 E CA 0.621 57.033 56.400 0.022 0.000 0.871 211 E CB 0.108 29.821 29.700 0.023 0.000 0.863 211 E HN 0.370 nan 8.360 nan 0.000 0.520 212 D N 0.793 121.207 120.400 0.023 0.000 2.348 212 D HA 0.070 4.710 4.640 0.001 0.000 0.211 212 D C 0.414 176.659 176.300 -0.091 0.000 0.998 212 D CA 0.115 54.092 54.000 -0.038 0.000 0.873 212 D CB 0.458 41.267 40.800 0.015 0.000 0.925 212 D HN 0.170 nan 8.370 nan 0.000 0.524 213 I N 3.739 124.289 120.570 -0.033 0.000 2.371 213 I HA 0.148 4.318 4.170 0.001 0.000 0.290 213 I C -1.889 174.214 176.117 -0.022 0.000 1.028 213 I CA -2.550 58.734 61.300 -0.027 0.000 1.345 213 I CB 0.209 38.212 38.000 0.006 0.000 1.407 213 I HN -0.247 nan 8.210 nan 0.000 0.501 214 P HA 0.127 nan 4.420 nan 0.000 0.269 214 P C -0.040 177.277 177.300 0.028 0.000 1.209 214 P CA -0.036 63.068 63.100 0.008 0.000 0.776 214 P CB 0.503 32.221 31.700 0.030 0.000 0.876 218 K N 0.054 120.346 120.400 -0.181 0.000 2.450 218 K HA 0.530 4.851 4.320 0.001 0.000 0.257 218 K C 1.306 177.717 176.600 -0.314 0.000 0.953 218 K CA -0.384 55.721 56.287 -0.304 0.000 0.844 218 K CB 2.190 34.352 32.500 -0.562 0.000 1.103 218 K HN 0.245 nan 8.250 nan 0.000 0.429 219 G N 3.234 111.872 108.800 -0.271 0.000 2.505 219 G HA2 -0.332 3.628 3.960 0.001 0.000 0.220 219 G HA3 -0.332 3.628 3.960 0.001 0.000 0.220 219 G C 1.424 176.092 174.900 -0.387 0.000 1.145 219 G CA 0.950 45.928 45.100 -0.203 0.000 0.761 219 G HN 0.698 nan 8.290 nan 0.000 0.571 220 R N -1.140 118.827 120.500 -0.889 0.000 2.092 220 R HA -0.058 4.282 4.340 0.001 0.000 0.231 220 R C 2.126 178.255 176.300 -0.286 0.000 1.119 220 R CA 1.460 57.022 56.100 -0.897 0.000 0.970 220 R CB -0.715 28.698 30.300 -1.477 0.000 0.864 220 R HN 0.363 nan 8.270 nan 0.000 0.440 221 Y N 1.985 122.119 120.300 -0.278 0.000 2.373 221 Y HA -0.049 4.502 4.550 0.001 0.000 0.293 221 Y C 1.757 177.584 175.900 -0.120 0.000 1.129 221 Y CA 0.317 58.320 58.100 -0.162 0.000 1.226 221 Y CB -0.566 37.816 38.460 -0.130 0.000 1.000 221 Y HN 0.089 nan 8.280 nan 0.000 0.549 222 D N 0.315 120.733 120.400 0.029 0.000 2.117 222 D HA -0.107 4.534 4.640 0.001 0.000 0.197 222 D C 1.177 177.491 176.300 0.023 0.000 0.987 222 D CA 0.865 54.874 54.000 0.014 0.000 0.829 222 D CB -0.351 40.444 40.800 -0.008 0.000 0.961 222 D HN 0.180 nan 8.370 nan 0.000 0.460 226 N N 0.502 119.238 118.700 0.060 0.000 2.244 226 N HA -0.116 4.625 4.740 0.001 0.000 0.183 226 N C 0.383 175.968 175.510 0.126 0.000 1.016 226 N CA 0.894 53.991 53.050 0.078 0.000 0.866 226 N CB 0.264 38.800 38.487 0.082 0.000 0.980 226 N HN 0.034 nan 8.380 nan 0.000 0.430 230 K N 0.697 120.985 120.400 -0.187 0.000 2.366 230 K HA 0.105 4.425 4.320 0.001 0.000 0.198 230 K C 1.300 177.765 176.600 -0.225 0.000 1.044 230 K CA 1.638 57.800 56.287 -0.209 0.000 0.973 230 K CB 0.357 32.693 32.500 -0.274 0.000 0.767 230 K HN 0.259 nan 8.250 nan 0.000 0.475 231 V N -4.335 115.424 119.914 -0.258 0.000 3.398 231 V HA 0.450 4.570 4.120 0.001 0.000 0.298 231 V C 0.273 176.330 176.094 -0.061 0.000 1.496 231 V CA -0.104 62.100 62.300 -0.159 0.000 1.044 231 V CB 0.712 32.417 31.823 -0.196 0.000 0.880 231 V HN 0.144 nan 8.190 nan 0.000 0.443 232 G N 0.293 109.054 108.800 -0.064 0.000 2.356 232 G HA2 0.418 4.379 3.960 0.001 0.000 0.294 232 G HA3 0.418 4.379 3.960 0.001 0.000 0.294 232 G C -0.018 174.856 174.900 -0.043 0.000 1.423 232 G CA 0.313 45.391 45.100 -0.037 0.000 0.806 232 G HN 0.697 nan 8.290 nan 0.000 0.527 233 S N -1.147 114.531 115.700 -0.037 0.000 2.524 233 S HA 0.268 4.738 4.470 0.001 0.000 0.215 233 S C 1.339 175.913 174.600 -0.043 0.000 0.986 233 S CA 0.143 58.324 58.200 -0.032 0.000 0.911 233 S CB -0.041 63.150 63.200 -0.014 0.000 0.805 233 S HN 0.425 nan 8.310 nan 0.000 0.501 234 L N 0.577 121.757 121.223 -0.071 0.000 2.858 234 L HA 0.438 4.778 4.340 0.001 0.000 0.251 234 L C 2.278 179.064 176.870 -0.140 0.000 1.149 234 L CA 0.304 55.085 54.840 -0.099 0.000 0.955 234 L CB -0.038 41.937 42.059 -0.141 0.000 1.289 234 L HN 0.446 nan 8.230 nan 0.000 0.542 235 G N 0.742 109.466 108.800 -0.127 0.000 2.432 235 G HA2 -0.184 3.777 3.960 0.001 0.000 0.219 235 G HA3 -0.184 3.777 3.960 0.001 0.000 0.219 235 G C 1.482 176.285 174.900 -0.162 0.000 1.135 235 G CA 0.506 45.509 45.100 -0.162 0.000 0.767 235 G HN 0.221 nan 8.290 nan 0.000 0.550 236 L N 0.275 121.436 121.223 -0.103 0.000 2.141 236 L HA 0.038 4.379 4.340 0.001 0.000 0.209 236 L C 1.196 178.014 176.870 -0.086 0.000 1.094 236 L CA 0.303 55.091 54.840 -0.087 0.000 0.763 236 L CB -0.419 41.611 42.059 -0.048 0.000 0.908 236 L HN 0.116 nan 8.230 nan 0.000 0.437 241 R N 0.458 120.948 120.500 -0.018 0.000 2.549 241 R HA 0.232 4.573 4.340 0.001 0.000 0.344 241 R C 0.039 176.360 176.300 0.035 0.000 0.979 241 R CA 0.445 56.482 56.100 -0.104 0.000 1.140 241 R CB 1.507 31.509 30.300 -0.496 0.000 1.377 241 R HN 0.269 nan 8.270 nan 0.000 0.541 242 T N -2.105 112.544 114.554 0.158 0.000 2.918 242 T HA 0.597 4.947 4.350 0.001 0.000 0.286 242 T C -0.167 174.580 174.700 0.078 0.000 1.026 242 T CA -0.634 61.608 62.100 0.237 0.000 1.031 242 T CB 2.194 71.153 68.868 0.152 0.000 1.046 242 T HN -0.023 nan 8.240 nan 0.000 0.479 243 C N 1.614 120.955 119.300 0.068 0.000 2.609 243 C HA 0.864 5.324 4.460 0.001 0.000 0.313 243 C C 0.346 175.388 174.990 0.087 0.000 1.175 243 C CA -0.534 58.433 59.018 -0.085 0.000 1.434 243 C CB 1.524 29.040 27.740 -0.373 0.000 2.005 243 C HN 1.162 nan 8.230 nan 0.000 0.471 244 T N 1.009 115.612 114.554 0.082 0.000 2.924 244 T HA 0.725 5.076 4.350 0.001 0.000 0.291 244 T C -1.326 173.434 174.700 0.101 0.000 1.045 244 T CA -0.371 61.794 62.100 0.107 0.000 1.015 244 T CB 1.577 70.506 68.868 0.101 0.000 1.103 244 T HN 0.719 nan 8.240 nan 0.000 0.496 245 V N 4.947 124.907 119.914 0.077 0.000 2.448 245 V HA 0.707 4.827 4.120 0.001 0.000 0.295 245 V C -0.762 175.328 176.094 -0.006 0.000 1.025 245 V CA -0.387 61.950 62.300 0.063 0.000 0.859 245 V CB 1.246 33.102 31.823 0.055 0.000 0.988 245 V HN 1.058 nan 8.190 nan 0.000 0.431 246 Q N 4.831 124.633 119.800 0.004 0.000 2.458 246 Q HA 0.844 5.185 4.340 0.001 0.000 0.282 246 Q C -1.843 174.138 176.000 -0.032 0.000 1.106 246 Q CA -0.883 54.901 55.803 -0.032 0.000 0.814 246 Q CB 2.613 31.328 28.738 -0.039 0.000 1.425 246 Q HN 0.585 nan 8.270 nan 0.000 0.437 247 V N 1.548 121.423 119.914 -0.066 0.000 2.656 247 V HA 0.523 4.643 4.120 0.001 0.000 0.307 247 V C -1.731 174.293 176.094 -0.116 0.000 1.051 247 V CA -0.668 61.587 62.300 -0.075 0.000 0.893 247 V CB 2.172 33.980 31.823 -0.025 0.000 0.999 247 V HN 0.891 nan 8.190 nan 0.000 0.426 248 N N 6.342 124.980 118.700 -0.102 0.000 2.372 248 N HA 0.728 5.468 4.740 0.001 0.000 0.291 248 N C -1.151 174.285 175.510 -0.123 0.000 1.024 248 N CA -0.225 52.782 53.050 -0.073 0.000 0.873 248 N CB 2.033 40.431 38.487 -0.149 0.000 1.206 248 N HN 0.596 nan 8.380 nan 0.000 0.486 249 L N 0.425 121.597 121.223 -0.085 0.000 2.376 249 L HA 0.510 4.850 4.340 0.001 0.000 0.258 249 L C -0.487 176.337 176.870 -0.076 0.000 1.013 249 L CA -0.995 53.783 54.840 -0.104 0.000 0.822 249 L CB 2.201 44.115 42.059 -0.242 0.000 1.388 249 L HN 0.250 nan 8.230 nan 0.000 0.413 250 D N 0.559 120.882 120.400 -0.128 0.000 2.268 250 D HA 0.596 5.236 4.640 0.001 0.000 0.249 250 D C -0.998 174.923 176.300 -0.631 0.000 1.008 250 D CA 0.052 53.802 54.000 -0.418 0.000 0.939 250 D CB 2.224 42.810 40.800 -0.357 0.000 1.170 250 D HN 0.197 nan 8.370 nan 0.000 0.468 251 F N -1.648 118.115 119.950 -0.312 0.000 2.593 251 F HA 0.454 4.982 4.527 0.001 0.000 0.320 251 F C 0.930 176.787 175.800 0.095 0.000 1.060 251 F CA -1.069 56.800 58.000 -0.218 0.000 0.940 251 F CB 1.078 40.025 39.000 -0.087 0.000 1.268 251 F HN 0.182 nan 8.300 nan 0.000 0.475 252 S N -0.857 115.145 115.700 0.503 0.000 2.512 252 S HA 0.458 4.928 4.470 0.001 0.000 0.216 252 S C 0.110 174.925 174.600 0.358 0.000 1.006 252 S CA 0.500 58.983 58.200 0.471 0.000 0.915 252 S CB -0.666 62.834 63.200 0.500 0.000 0.824 252 S HN 1.166 nan 8.310 nan 0.000 0.497 253 S N -0.243 115.675 115.700 0.364 0.000 2.636 253 S HA 0.446 4.916 4.470 0.001 0.000 0.268 253 S C 0.247 174.923 174.600 0.126 0.000 1.159 253 S CA -0.436 57.913 58.200 0.248 0.000 0.815 253 S CB 1.095 64.384 63.200 0.148 0.000 1.130 253 S HN 0.075 nan 8.310 nan 0.000 0.471 254 E N 0.536 120.759 120.200 0.038 0.000 2.077 254 E HA -0.103 4.248 4.350 0.001 0.000 0.193 254 E C 2.100 178.530 176.600 -0.282 0.000 0.989 254 E CA 1.441 57.645 56.400 -0.328 0.000 0.800 254 E CB -0.510 29.034 29.700 -0.261 0.000 0.746 254 E HN 0.733 nan 8.360 nan 0.000 0.452 255 A N 0.994 123.745 122.820 -0.114 0.000 1.908 255 A HA -0.180 4.140 4.320 0.001 0.000 0.218 255 A C 1.314 178.864 177.584 -0.057 0.000 1.181 255 A CA 1.518 53.509 52.037 -0.076 0.000 0.627 255 A CB -0.602 18.386 19.000 -0.021 0.000 0.818 255 A HN 0.425 nan 8.150 nan 0.000 0.445 259 R N 1.851 122.311 120.500 -0.067 0.000 2.073 259 R HA -0.068 4.272 4.340 0.001 0.000 0.234 259 R C 1.925 178.193 176.300 -0.054 0.000 1.134 259 R CA 1.648 57.711 56.100 -0.062 0.000 0.952 259 R CB -0.136 30.148 30.300 -0.026 0.000 0.850 259 R HN 0.263 nan 8.270 nan 0.000 0.433 260 K N -0.201 120.174 120.400 -0.042 0.000 2.057 260 K HA -0.140 4.181 4.320 0.001 0.000 0.207 260 K C 1.883 178.442 176.600 -0.068 0.000 1.049 260 K CA 1.387 57.642 56.287 -0.054 0.000 0.931 260 K CB -0.200 32.257 32.500 -0.071 0.000 0.714 260 K HN 0.131 nan 8.250 nan 0.000 0.440 261 F N 1.511 121.320 119.950 -0.236 0.000 2.102 261 F HA -0.240 4.288 4.527 0.001 0.000 0.298 261 F C 2.404 177.971 175.800 -0.387 0.000 1.105 261 F CA 1.157 58.968 58.000 -0.316 0.000 1.239 261 F CB 0.160 38.950 39.000 -0.349 0.000 0.991 261 F HN -0.032 nan 8.300 nan 0.000 0.474 262 R N -0.041 120.315 120.500 -0.241 0.000 2.075 262 R HA -0.132 4.208 4.340 0.001 0.000 0.232 262 R C 2.381 178.631 176.300 -0.084 0.000 1.126 262 R CA 1.129 56.931 56.100 -0.498 0.000 0.963 262 R CB -0.713 29.211 30.300 -0.628 0.000 0.858 262 R HN 0.312 nan 8.270 nan 0.000 0.435 263 A N 0.787 123.585 122.820 -0.036 0.000 1.877 263 A HA -0.089 4.231 4.320 0.001 0.000 0.216 263 A C 2.395 180.053 177.584 0.123 0.000 1.186 263 A CA 1.802 53.865 52.037 0.043 0.000 0.620 263 A CB -1.204 17.819 19.000 0.040 0.000 0.822 263 A HN 0.467 nan 8.150 nan 0.000 0.443 264 G N -0.324 108.490 108.800 0.024 0.000 2.418 264 G HA2 -0.140 3.820 3.960 0.001 0.000 0.217 264 G HA3 -0.140 3.820 3.960 0.001 0.000 0.217 264 G C 1.589 176.496 174.900 0.012 0.000 1.158 264 G CA 1.029 46.056 45.100 -0.122 0.000 0.771 264 G HN 0.417 nan 8.290 nan 0.000 0.545 265 L N 0.640 121.920 121.223 0.095 0.000 1.994 265 L HA -0.044 4.297 4.340 0.001 0.000 0.208 265 L C 3.453 180.471 176.870 0.248 0.000 1.071 265 L CA 1.103 56.051 54.840 0.180 0.000 0.745 265 L CB -0.469 41.744 42.059 0.255 0.000 0.892 265 L HN 0.299 nan 8.230 nan 0.000 0.431 266 A N -0.175 122.832 122.820 0.312 0.000 1.908 266 A HA -0.183 4.138 4.320 0.001 0.000 0.218 266 A C 2.133 179.899 177.584 0.303 0.000 1.181 266 A CA 1.586 53.786 52.037 0.272 0.000 0.627 266 A CB -0.668 18.415 19.000 0.137 0.000 0.818 266 A HN 0.412 nan 8.150 nan 0.000 0.445 267 L N -1.196 120.213 121.223 0.310 0.000 2.558 267 L HA -0.026 4.315 4.340 0.001 0.000 0.225 267 L C 2.469 179.633 176.870 0.490 0.000 1.128 267 L CA 0.500 55.575 54.840 0.393 0.000 0.868 267 L CB -0.265 42.034 42.059 0.400 0.000 1.006 267 L HN 0.426 nan 8.230 nan 0.000 0.454 268 Q N 1.119 121.179 119.800 0.433 0.000 2.061 268 Q HA -0.160 4.180 4.340 0.001 0.000 0.204 268 Q C -0.649 175.504 176.000 0.255 0.000 0.984 268 Q CA 2.082 58.111 55.803 0.376 0.000 0.846 268 Q CB -0.970 27.879 28.738 0.184 0.000 0.902 268 Q HN 0.239 nan 8.270 nan 0.000 0.421 269 P HA -0.152 nan 4.420 nan 0.000 0.217 269 P C 0.758 178.116 177.300 0.096 0.000 1.148 269 P CA 1.203 64.368 63.100 0.108 0.000 0.828 269 P CB -0.051 31.680 31.700 0.051 0.000 0.783 270 I N -0.763 119.886 120.570 0.132 0.000 2.202 270 I HA -0.242 3.928 4.170 0.001 0.000 0.242 270 I C 2.356 178.486 176.117 0.021 0.000 1.091 270 I CA 1.377 62.734 61.300 0.094 0.000 1.368 270 I CB -0.847 37.255 38.000 0.170 0.000 1.058 270 I HN -0.079 nan 8.210 nan 0.000 0.410 271 A N 0.590 123.437 122.820 0.045 0.000 1.892 271 A HA -0.255 4.065 4.320 0.001 0.000 0.218 271 A C 2.382 180.034 177.584 0.114 0.000 1.188 271 A CA 2.726 54.727 52.037 -0.060 0.000 0.631 271 A CB -1.268 17.828 19.000 0.159 0.000 0.822 271 A HN 0.405 nan 8.150 nan 0.000 0.447 272 T N 0.342 114.971 114.554 0.126 0.000 2.720 272 T HA -0.083 4.268 4.350 0.001 0.000 0.268 272 T C 2.198 176.959 174.700 0.101 0.000 1.037 272 T CA 1.838 64.012 62.100 0.124 0.000 1.144 272 T CB -0.533 68.400 68.868 0.109 0.000 0.864 272 T HN 0.644 nan 8.240 nan 0.000 0.444 273 A N 1.365 124.215 122.820 0.052 0.000 1.877 273 A HA 0.020 4.341 4.320 0.001 0.000 0.216 273 A C 2.335 179.894 177.584 -0.042 0.000 1.186 273 A CA 1.181 53.220 52.037 0.004 0.000 0.620 273 A CB -0.868 18.120 19.000 -0.019 0.000 0.822 273 A HN 0.476 nan 8.150 nan 0.000 0.443 274 L N -2.277 118.896 121.223 -0.083 0.000 2.131 274 L HA -0.133 4.208 4.340 0.001 0.000 0.210 274 L C 1.795 178.429 176.870 -0.393 0.000 1.092 274 L CA 1.245 55.928 54.840 -0.262 0.000 0.759 274 L CB -0.433 41.378 42.059 -0.413 0.000 0.903 274 L HN 0.426 nan 8.230 nan 0.000 0.435 275 F N -0.172 119.703 119.950 -0.125 0.000 2.695 275 F HA 0.307 4.834 4.527 0.001 0.000 0.303 275 F C 1.437 177.224 175.800 -0.023 0.000 1.091 275 F CA -0.577 57.380 58.000 -0.072 0.000 1.300 275 F CB -0.081 38.882 39.000 -0.061 0.000 1.071 275 F HN -0.143 nan 8.300 nan 0.000 0.578 276 A N 1.333 124.204 122.820 0.084 0.000 2.553 276 A HA 0.046 4.366 4.320 0.001 0.000 0.258 276 A C 0.616 178.219 177.584 0.032 0.000 1.069 276 A CA 0.639 52.713 52.037 0.061 0.000 0.767 276 A CB -0.375 18.638 19.000 0.021 0.000 0.997 276 A HN 0.408 nan 8.150 nan 0.000 0.512 277 N N 0.550 119.287 118.700 0.062 0.000 2.577 277 N HA 0.094 4.834 4.740 0.001 0.000 0.285 277 N C -0.819 174.732 175.510 0.069 0.000 1.658 277 N CA 0.424 53.506 53.050 0.055 0.000 0.865 277 N CB 0.534 39.086 38.487 0.108 0.000 1.419 277 N HN 0.538 nan 8.380 nan 0.000 0.495 278 S N -0.868 114.843 115.700 0.019 0.000 2.512 278 S HA 0.380 4.851 4.470 0.001 0.000 0.161 278 S C -2.489 172.047 174.600 -0.106 0.000 1.383 278 S CA -0.678 57.546 58.200 0.040 0.000 1.248 278 S CB 1.505 64.804 63.200 0.164 0.000 1.488 278 S HN 0.077 nan 8.310 nan 0.000 0.382 279 P HA 0.344 nan 4.420 nan 0.000 0.261 279 P C -0.619 176.349 177.300 -0.553 0.000 1.268 279 P CA -0.010 62.798 63.100 -0.487 0.000 0.833 279 P CB -0.166 31.120 31.700 -0.690 0.000 1.231 280 F N -0.224 119.723 119.950 -0.004 0.000 2.508 280 F HA 0.559 5.087 4.527 0.001 0.000 0.325 280 F C 0.632 176.474 175.800 0.071 0.000 1.090 280 F CA -0.682 57.302 58.000 -0.027 0.000 0.945 280 F CB 1.502 40.479 39.000 -0.038 0.000 1.156 280 F HN -0.425 nan 8.300 nan 0.000 0.463 281 T N 1.343 116.041 114.554 0.240 0.000 2.921 281 T HA 0.335 4.685 4.350 0.001 0.000 0.297 281 T C -0.588 174.196 174.700 0.140 0.000 1.013 281 T CA -0.959 61.285 62.100 0.240 0.000 0.990 281 T CB 1.352 70.295 68.868 0.125 0.000 1.023 281 T HN 0.647 nan 8.240 nan 0.000 0.447 282 E N 1.507 121.770 120.200 0.105 0.000 2.269 282 E HA -0.234 4.117 4.350 0.001 0.000 0.223 282 E C 1.019 177.595 176.600 -0.040 0.000 1.244 282 E CA 0.858 57.262 56.400 0.007 0.000 0.713 282 E CB -1.475 28.251 29.700 0.043 0.000 1.178 282 E HN 1.253 nan 8.360 nan 0.000 0.370 283 G N -0.512 108.246 108.800 -0.070 0.000 2.159 283 G HA2 -0.345 3.615 3.960 0.001 0.000 0.256 283 G HA3 -0.345 3.615 3.960 0.001 0.000 0.256 283 G C 0.105 174.987 174.900 -0.030 0.000 0.977 283 G CA 0.757 45.797 45.100 -0.099 0.000 0.652 283 G HN 0.260 nan 8.290 nan 0.000 0.531 284 K N -0.335 120.060 120.400 -0.009 0.000 2.512 284 K HA 0.462 4.782 4.320 0.001 0.000 0.263 284 K C -3.098 173.514 176.600 0.020 0.000 0.966 284 K CA -2.167 54.108 56.287 -0.021 0.000 0.851 284 K CB 2.717 35.244 32.500 0.046 0.000 1.395 284 K HN -0.117 nan 8.250 nan 0.000 0.440 285 P HA 0.017 nan 4.420 nan 0.000 0.267 285 P C -0.250 177.049 177.300 -0.001 0.000 1.205 285 P CA 0.060 63.144 63.100 -0.026 0.000 0.765 285 P CB 0.274 31.918 31.700 -0.093 0.000 0.828 286 N N 2.199 120.899 118.700 -0.001 0.000 2.336 286 N HA 0.097 4.837 4.740 0.001 0.000 0.189 286 N C 1.218 176.778 175.510 0.083 0.000 1.113 286 N CA 0.456 53.531 53.050 0.042 0.000 0.858 286 N CB -0.437 38.057 38.487 0.013 0.000 0.970 286 N HN 0.560 nan 8.380 nan 0.000 0.471 287 G N -1.491 107.291 108.800 -0.030 0.000 2.176 287 G HA2 -0.255 3.705 3.960 0.001 0.000 0.253 287 G HA3 -0.255 3.705 3.960 0.001 0.000 0.253 287 G C -0.270 174.411 174.900 -0.364 0.000 0.979 287 G CA 0.167 45.158 45.100 -0.180 0.000 0.641 287 G HN 0.332 nan 8.290 nan 0.000 0.530 288 F N -1.033 118.813 119.950 -0.173 0.000 2.575 288 F HA 0.711 5.239 4.527 0.001 0.000 0.330 288 F C 1.489 177.188 175.800 -0.169 0.000 1.056 288 F CA -1.049 56.851 58.000 -0.165 0.000 0.964 288 F CB 1.325 40.221 39.000 -0.174 0.000 1.258 288 F HN -0.122 nan 8.300 nan 0.000 0.484 289 L N -0.371 120.885 121.223 0.056 0.000 2.316 289 L HA 0.180 4.520 4.340 0.001 0.000 0.207 289 L C 0.813 177.693 176.870 0.016 0.000 1.070 289 L CA 0.544 55.371 54.840 -0.021 0.000 0.820 289 L CB 0.029 42.066 42.059 -0.037 0.000 0.992 289 L HN 0.550 nan 8.230 nan 0.000 0.466 293 S N 0.214 116.035 115.700 0.201 0.000 2.368 293 S HA -0.193 4.277 4.470 0.001 0.000 0.225 293 S C 1.584 176.293 174.600 0.181 0.000 1.030 293 S CA 1.990 60.338 58.200 0.246 0.000 0.999 293 S CB -0.400 62.910 63.200 0.184 0.000 0.844 293 S HN 0.539 nan 8.310 nan 0.000 0.459 294 H N 1.060 120.109 119.070 -0.036 0.000 2.352 294 H HA 0.020 4.576 4.556 0.001 0.000 0.299 294 H C 1.862 177.115 175.328 -0.125 0.000 1.097 294 H CA 2.142 58.104 56.048 -0.143 0.000 1.311 294 H CB -0.501 28.917 29.762 -0.573 0.000 1.377 294 H HN 0.434 nan 8.280 nan 0.000 0.504 295 I N -0.729 119.693 120.570 -0.247 0.000 2.194 295 I HA -0.337 3.833 4.170 0.001 0.000 0.246 295 I C 1.676 177.641 176.117 -0.254 0.000 1.093 295 I CA 1.509 62.631 61.300 -0.296 0.000 1.355 295 I CB -0.419 37.424 38.000 -0.261 0.000 1.046 295 I HN 0.408 nan 8.210 nan 0.000 0.413 296 W N 0.603 121.840 121.300 -0.106 0.000 2.632 296 W HA -0.146 4.514 4.660 0.001 0.000 0.248 296 W C 2.577 179.063 176.519 -0.056 0.000 1.259 296 W CA 1.170 58.485 57.345 -0.050 0.000 1.288 296 W CB -0.325 29.134 29.460 -0.003 0.000 1.136 296 W HN 0.256 nan 8.180 nan 0.000 0.640 297 T N -4.063 110.514 114.554 0.039 0.000 3.081 297 T HA -0.012 4.339 4.350 0.001 0.000 0.250 297 T C 0.562 175.223 174.700 -0.065 0.000 1.100 297 T CA 0.677 62.771 62.100 -0.011 0.000 1.038 297 T CB 0.076 68.914 68.868 -0.050 0.000 0.962 297 T HN -0.098 nan 8.240 nan 0.000 0.516 298 D N -0.093 120.234 120.400 -0.122 0.000 2.908 298 D HA 0.327 4.968 4.640 0.001 0.000 0.361 298 D C 0.872 177.133 176.300 -0.066 0.000 1.416 298 D CA -0.157 53.791 54.000 -0.088 0.000 0.796 298 D CB 0.525 41.245 40.800 -0.133 0.000 1.185 298 D HN 0.132 nan 8.370 nan 0.000 0.451 299 T N -0.982 113.566 114.554 -0.010 0.000 3.082 299 T HA 0.134 4.485 4.350 0.001 0.000 0.235 299 T C -0.216 174.540 174.700 0.093 0.000 0.991 299 T CA 0.136 62.235 62.100 -0.001 0.000 1.220 299 T CB 0.490 69.339 68.868 -0.033 0.000 0.909 299 T HN 0.107 nan 8.240 nan 0.000 0.424 300 D N 0.360 120.866 120.400 0.176 0.000 2.369 300 D HA 0.107 4.747 4.640 0.001 0.000 0.212 300 D C 0.456 176.880 176.300 0.206 0.000 1.326 300 D CA -0.277 53.844 54.000 0.201 0.000 0.933 300 D CB 1.008 41.995 40.800 0.312 0.000 1.516 300 D HN 0.207 nan 8.370 nan 0.000 0.557 301 K N 2.206 122.696 120.400 0.149 0.000 2.280 301 K HA -0.112 4.208 4.320 0.001 0.000 0.202 301 K C 0.290 176.988 176.600 0.163 0.000 1.047 301 K CA 1.042 57.414 56.287 0.143 0.000 0.942 301 K CB 0.197 32.759 32.500 0.104 0.000 0.739 301 K HN 0.109 nan 8.250 nan 0.000 0.457 302 D N 1.492 121.989 120.400 0.162 0.000 2.310 302 D HA -0.114 4.527 4.640 0.001 0.000 0.212 302 D C 1.213 177.603 176.300 0.150 0.000 0.965 302 D CA 1.007 55.095 54.000 0.146 0.000 0.879 302 D CB 0.164 41.035 40.800 0.119 0.000 0.921 302 D HN 0.586 nan 8.370 nan 0.000 0.510 303 R N -0.392 120.219 120.500 0.184 0.000 2.592 303 R HA 0.167 4.507 4.340 0.001 0.000 0.439 303 R C -0.182 176.274 176.300 0.260 0.000 0.995 303 R CA -0.296 55.898 56.100 0.157 0.000 1.141 303 R CB -0.053 30.243 30.300 -0.007 0.000 1.495 303 R HN -0.009 nan 8.270 nan 0.000 0.579 304 T N -2.995 111.725 114.554 0.277 0.000 2.864 304 T HA 0.854 5.204 4.350 0.001 0.000 0.289 304 T C 0.393 175.202 174.700 0.181 0.000 1.082 304 T CA -0.318 61.937 62.100 0.259 0.000 1.009 304 T CB 2.113 71.176 68.868 0.325 0.000 1.234 304 T HN 0.481 nan 8.240 nan 0.000 0.526 308 P HA -0.174 nan 4.420 nan 0.000 0.219 308 P C 1.553 178.841 177.300 -0.021 0.000 1.146 308 P CA 1.175 64.259 63.100 -0.027 0.000 0.808 308 P CB 0.029 31.734 31.700 0.009 0.000 0.779 309 F N -1.884 118.000 119.950 -0.109 0.000 2.451 309 F HA -0.042 4.486 4.527 0.001 0.000 0.299 309 F C 1.565 177.210 175.800 -0.258 0.000 1.101 309 F CA 0.467 58.399 58.000 -0.112 0.000 1.436 309 F CB -1.686 37.260 39.000 -0.090 0.000 1.074 309 F HN -0.303 nan 8.300 nan 0.000 0.553 310 V N 0.370 119.497 119.914 -1.312 0.000 2.594 310 V HA -0.270 3.850 4.120 0.001 0.000 0.253 310 V C 1.788 177.257 176.094 -1.041 0.000 1.069 310 V CA 1.722 62.920 62.300 -1.836 0.000 1.082 310 V CB -0.993 29.537 31.823 -2.156 0.000 0.680 310 V HN 0.403 nan 8.190 nan 0.000 0.469 311 F N -0.920 118.733 119.950 -0.495 0.000 2.765 311 F HA 0.187 4.715 4.527 0.001 0.000 0.302 311 F C 0.857 176.591 175.800 -0.110 0.000 1.111 311 F CA -0.438 57.415 58.000 -0.245 0.000 1.359 311 F CB -0.097 38.798 39.000 -0.175 0.000 1.097 311 F HN 0.135 nan 8.300 nan 0.000 0.577 312 D N 0.710 121.148 120.400 0.063 0.000 2.399 312 D HA -0.037 4.603 4.640 0.001 0.000 0.241 312 D C 1.037 177.397 176.300 0.099 0.000 1.133 312 D CA 0.156 54.218 54.000 0.104 0.000 0.890 312 D CB 0.673 41.564 40.800 0.151 0.000 1.201 312 D HN 0.014 nan 8.370 nan 0.000 0.432 313 D N 0.166 120.615 120.400 0.081 0.000 2.190 313 D HA -0.161 4.480 4.640 0.001 0.000 0.200 313 D C 1.832 178.174 176.300 0.069 0.000 0.992 313 D CA 1.214 55.252 54.000 0.062 0.000 0.854 313 D CB -0.122 40.706 40.800 0.048 0.000 0.936 313 D HN 0.404 nan 8.370 nan 0.000 0.462 314 S N -0.240 115.516 115.700 0.093 0.000 2.474 314 S HA -0.132 4.339 4.470 0.001 0.000 0.235 314 S C 0.800 175.457 174.600 0.096 0.000 0.997 314 S CA -0.339 57.911 58.200 0.085 0.000 0.949 314 S CB -0.582 62.674 63.200 0.093 0.000 0.766 314 S HN 0.128 nan 8.310 nan 0.000 0.517 315 F N 2.909 122.854 119.950 -0.008 0.000 2.607 315 F HA 0.479 5.006 4.527 0.001 0.000 0.374 315 F C 0.836 176.586 175.800 -0.083 0.000 1.104 315 F CA 0.827 58.806 58.000 -0.034 0.000 1.296 315 F CB 0.093 38.997 39.000 -0.159 0.000 1.085 315 F HN 0.348 nan 8.300 nan 0.000 0.584 316 G N 4.336 112.375 108.800 -1.269 0.000 2.428 316 G HA2 0.185 4.145 3.960 0.001 0.000 0.304 316 G HA3 0.185 4.145 3.960 0.001 0.000 0.304 316 G C -0.449 173.921 174.900 -0.885 0.000 1.303 316 G CA -0.666 43.821 45.100 -1.022 0.000 0.825 316 G HN 0.427 nan 8.290 nan 0.000 0.484 317 F N 0.314 120.035 119.950 -0.381 0.000 2.161 317 F HA -0.004 4.523 4.527 0.001 0.000 0.300 317 F C 2.570 178.373 175.800 0.005 0.000 1.089 317 F CA 1.997 59.914 58.000 -0.139 0.000 1.282 317 F CB 0.006 38.971 39.000 -0.059 0.000 1.010 317 F HN 0.652 nan 8.300 nan 0.000 0.485 318 E N 0.221 120.505 120.200 0.139 0.000 2.051 318 E HA -0.296 4.055 4.350 0.001 0.000 0.192 318 E C 2.259 178.937 176.600 0.130 0.000 0.991 318 E CA 1.316 57.791 56.400 0.125 0.000 0.799 318 E CB -0.259 29.481 29.700 0.067 0.000 0.748 318 E HN 0.541 nan 8.360 nan 0.000 0.449 319 Q N -0.692 119.158 119.800 0.084 0.000 2.124 319 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 319 Q C 1.954 178.164 176.000 0.349 0.000 0.977 319 Q CA 1.607 57.517 55.803 0.177 0.000 0.850 319 Q CB -0.257 28.636 28.738 0.258 0.000 0.901 319 Q HN 0.432 nan 8.270 nan 0.000 0.429 320 Y N -0.101 120.424 120.300 0.376 0.000 2.181 320 Y HA -0.208 4.343 4.550 0.001 0.000 0.288 320 Y C 1.968 178.143 175.900 0.458 0.000 1.146 320 Y CA 1.454 59.906 58.100 0.585 0.000 1.164 320 Y CB -0.058 38.742 38.460 0.565 0.000 0.982 320 Y HN -0.034 nan 8.280 nan 0.000 0.515 321 V N 0.256 120.464 119.914 0.489 0.000 2.407 321 V HA -0.301 3.820 4.120 0.001 0.000 0.248 321 V C 1.982 178.215 176.094 0.233 0.000 1.055 321 V CA 2.175 64.729 62.300 0.424 0.000 1.049 321 V CB -0.569 31.460 31.823 0.343 0.000 0.662 321 V HN 0.413 nan 8.190 nan 0.000 0.455 322 D N -1.005 119.480 120.400 0.140 0.000 2.117 322 D HA -0.191 4.450 4.640 0.001 0.000 0.198 322 D C 1.945 178.253 176.300 0.012 0.000 0.982 322 D CA 1.556 55.588 54.000 0.053 0.000 0.828 322 D CB -0.285 40.525 40.800 0.018 0.000 0.967 322 D HN 0.553 nan 8.370 nan 0.000 0.464 323 Y N 2.100 122.284 120.300 -0.193 0.000 2.053 323 Y HA -0.294 4.256 4.550 0.001 0.000 0.277 323 Y C 2.261 178.060 175.900 -0.168 0.000 1.159 323 Y CA 2.011 59.929 58.100 -0.304 0.000 1.125 323 Y CB -0.768 37.401 38.460 -0.485 0.000 0.969 323 Y HN -0.052 nan 8.280 nan 0.000 0.492 324 A N 0.357 122.944 122.820 -0.388 0.000 1.933 324 A HA -0.134 4.187 4.320 0.001 0.000 0.218 324 A C 2.393 179.999 177.584 0.036 0.000 1.175 324 A CA 1.708 53.523 52.037 -0.370 0.000 0.628 324 A CB -1.198 17.696 19.000 -0.177 0.000 0.814 324 A HN 0.596 nan 8.150 nan 0.000 0.444 325 L N -0.609 120.694 121.223 0.133 0.000 2.191 325 L HA -0.158 4.183 4.340 0.001 0.000 0.212 325 L C 1.163 178.074 176.870 0.068 0.000 1.103 325 L CA 1.227 56.159 54.840 0.153 0.000 0.769 325 L CB -0.323 41.797 42.059 0.102 0.000 0.908 325 L HN 0.305 nan 8.230 nan 0.000 0.438 326 D N -1.126 119.266 120.400 -0.013 0.000 2.349 326 D HA 0.077 4.718 4.640 0.001 0.000 0.214 326 D C 0.440 176.704 176.300 -0.061 0.000 1.063 326 D CA 0.194 54.178 54.000 -0.028 0.000 0.847 326 D CB 0.454 41.237 40.800 -0.028 0.000 0.933 326 D HN -0.016 nan 8.370 nan 0.000 0.513 327 V N 3.415 123.247 119.914 -0.138 0.000 2.521 327 V HA 0.093 4.214 4.120 0.001 0.000 0.286 327 V C -1.720 174.368 176.094 -0.011 0.000 1.034 327 V CA -1.056 61.145 62.300 -0.165 0.000 1.045 327 V CB 0.737 32.318 31.823 -0.404 0.000 0.974 327 V HN -0.041 nan 8.190 nan 0.000 0.480 331 F N -0.756 119.368 119.950 0.289 0.000 2.741 331 F HA 0.898 5.425 4.527 0.001 0.000 0.313 331 F C -1.106 174.843 175.800 0.249 0.000 1.153 331 F CA -1.796 56.348 58.000 0.240 0.000 0.931 331 F CB 1.148 40.346 39.000 0.330 0.000 1.335 331 F HN -0.040 nan 8.300 nan 0.000 0.460 332 A N 0.842 123.946 122.820 0.474 0.000 2.393 332 A HA 0.652 4.973 4.320 0.001 0.000 0.306 332 A C -2.453 175.382 177.584 0.418 0.000 1.050 332 A CA -0.699 51.582 52.037 0.408 0.000 0.724 332 A CB 1.010 20.061 19.000 0.084 0.000 1.248 332 A HN 0.941 nan 8.150 nan 0.000 0.424 333 Y N 3.271 123.728 120.300 0.261 0.000 2.425 333 Y HA 0.614 5.165 4.550 0.001 0.000 0.347 333 Y C -0.049 175.834 175.900 -0.027 0.000 0.976 333 Y CA -0.154 57.919 58.100 -0.044 0.000 1.190 333 Y CB 0.485 38.882 38.460 -0.106 0.000 1.136 333 Y HN 0.606 nan 8.280 nan 0.000 0.517 334 R N 4.126 124.322 120.500 -0.506 0.000 2.604 334 R HA 0.231 4.571 4.340 0.001 0.000 0.281 334 R C -0.577 175.426 176.300 -0.496 0.000 1.020 334 R CA -1.218 54.657 56.100 -0.376 0.000 0.899 334 R CB 1.136 31.342 30.300 -0.156 0.000 1.205 334 R HN 0.910 nan 8.270 nan 0.000 0.450 335 N N 0.820 119.296 118.700 -0.374 0.000 2.740 335 N HA -0.244 4.496 4.740 0.001 0.000 0.248 335 N C 0.595 175.906 175.510 -0.332 0.000 1.062 335 N CA 0.985 53.875 53.050 -0.266 0.000 0.704 335 N CB -0.663 37.722 38.487 -0.169 0.000 0.968 335 N HN 1.059 nan 8.380 nan 0.000 0.547 336 G N -0.741 107.745 108.800 -0.523 0.000 2.162 336 G HA2 -0.383 3.577 3.960 0.001 0.000 0.260 336 G HA3 -0.383 3.577 3.960 0.001 0.000 0.260 336 G C -0.043 174.624 174.900 -0.388 0.000 0.976 336 G CA 1.091 45.994 45.100 -0.329 0.000 0.655 336 G HN 0.793 nan 8.290 nan 0.000 0.533 337 K N -1.202 118.771 120.400 -0.712 0.000 2.509 337 K HA 0.649 4.969 4.320 0.001 0.000 0.266 337 K C -1.189 175.099 176.600 -0.520 0.000 0.987 337 K CA -1.330 54.704 56.287 -0.422 0.000 0.868 337 K CB 1.352 33.756 32.500 -0.160 0.000 1.421 337 K HN 0.027 nan 8.250 nan 0.000 0.444 338 Y N 0.606 120.909 120.300 0.004 0.000 2.350 338 Y HA 0.262 4.813 4.550 0.001 0.000 0.340 338 Y C -0.003 175.925 175.900 0.046 0.000 1.006 338 Y CA -0.715 57.412 58.100 0.045 0.000 1.166 338 Y CB 1.581 39.967 38.460 -0.125 0.000 1.168 338 Y HN 0.178 nan 8.280 nan 0.000 0.502 339 V N 3.766 123.793 119.914 0.189 0.000 2.439 339 V HA 0.067 4.188 4.120 0.001 0.000 0.282 339 V C 0.043 176.250 176.094 0.187 0.000 1.039 339 V CA -1.005 61.367 62.300 0.120 0.000 0.913 339 V CB 1.356 33.199 31.823 0.032 0.000 0.983 339 V HN 0.655 nan 8.190 nan 0.000 0.460 340 D N 3.410 123.890 120.400 0.134 0.000 2.346 340 D HA 0.089 4.729 4.640 0.001 0.000 0.260 340 D C 0.096 176.440 176.300 0.074 0.000 1.252 340 D CA 0.053 54.133 54.000 0.134 0.000 0.895 340 D CB 0.895 41.751 40.800 0.095 0.000 1.097 340 D HN 0.658 nan 8.370 nan 0.000 0.489 341 c N 3.504 122.150 118.600 0.076 0.000 2.742 341 c HA 0.138 4.708 4.570 0.001 0.000 0.283 341 c C 0.805 174.878 174.090 -0.029 0.000 1.451 341 c CA -0.538 55.783 56.329 -0.013 0.000 1.785 341 c CB -1.321 41.145 42.510 -0.073 0.000 2.664 341 c HN 0.641 nan 8.230 nan 0.000 0.544 342 T N -0.273 114.266 114.554 -0.025 0.000 2.932 342 T HA 0.479 4.830 4.350 0.001 0.000 0.312 342 T C 0.735 175.405 174.700 -0.049 0.000 1.071 342 T CA 0.949 62.966 62.100 -0.138 0.000 1.128 342 T CB 0.842 69.584 68.868 -0.211 0.000 0.984 342 T HN 1.399 nan 8.240 nan 0.000 0.549 346 F N 0.929 120.763 119.950 -0.193 0.000 2.293 346 F HA 0.191 4.719 4.527 0.001 0.000 0.300 346 F C 2.626 178.392 175.800 -0.057 0.000 1.086 346 F CA 1.013 58.923 58.000 -0.150 0.000 1.375 346 F CB -0.056 38.708 39.000 -0.393 0.000 1.045 346 F HN 0.650 nan 8.300 nan 0.000 0.516 347 R N 0.159 120.700 120.500 0.067 0.000 2.097 347 R HA -0.256 4.085 4.340 0.001 0.000 0.236 347 R C 2.287 178.556 176.300 -0.053 0.000 1.135 347 R CA 2.444 58.544 56.100 -0.000 0.000 0.934 347 R CB -0.452 29.849 30.300 0.002 0.000 0.846 347 R HN 0.365 nan 8.270 nan 0.000 0.431 348 Q N -0.680 119.089 119.800 -0.052 0.000 2.112 348 Q HA -0.241 4.100 4.340 0.001 0.000 0.206 348 Q C 1.997 177.958 176.000 -0.064 0.000 0.987 348 Q CA 2.003 57.768 55.803 -0.064 0.000 0.858 348 Q CB -0.302 28.392 28.738 -0.073 0.000 0.905 348 Q HN 0.427 nan 8.270 nan 0.000 0.420 349 F N 0.933 120.686 119.950 -0.327 0.000 2.065 349 F HA -0.296 4.232 4.527 0.001 0.000 0.298 349 F C 2.013 177.556 175.800 -0.428 0.000 1.112 349 F CA 0.778 58.498 58.000 -0.466 0.000 1.212 349 F CB 0.040 38.506 39.000 -0.891 0.000 0.975 349 F HN 0.072 nan 8.300 nan 0.000 0.476 350 L N -0.188 120.882 121.223 -0.255 0.000 2.127 350 L HA -0.239 4.102 4.340 0.001 0.000 0.211 350 L C 2.372 179.158 176.870 -0.141 0.000 1.089 350 L CA 1.150 55.841 54.840 -0.249 0.000 0.757 350 L CB -0.622 41.322 42.059 -0.192 0.000 0.899 350 L HN 0.182 nan 8.230 nan 0.000 0.434 351 A N -0.927 121.839 122.820 -0.090 0.000 2.275 351 A HA 0.320 4.641 4.320 0.001 0.000 0.212 351 A C 1.562 179.118 177.584 -0.046 0.000 1.201 351 A CA 0.583 52.582 52.037 -0.064 0.000 0.843 351 A CB -0.275 18.693 19.000 -0.054 0.000 0.873 351 A HN 0.494 nan 8.150 nan 0.000 0.492 352 G N -0.213 108.571 108.800 -0.026 0.000 2.176 352 G HA2 -0.263 3.697 3.960 0.001 0.000 0.252 352 G HA3 -0.263 3.697 3.960 0.001 0.000 0.252 352 G C 0.475 175.356 174.900 -0.033 0.000 1.024 352 G CA 0.692 45.787 45.100 -0.009 0.000 0.755 352 G HN 0.510 nan 8.290 nan 0.000 0.507 353 K N -0.524 119.847 120.400 -0.047 0.000 2.537 353 K HA 0.333 4.654 4.320 0.001 0.000 0.206 353 K C 0.814 177.360 176.600 -0.090 0.000 1.041 353 K CA -0.412 55.839 56.287 -0.060 0.000 1.090 353 K CB 0.417 32.887 32.500 -0.050 0.000 0.833 353 K HN 0.368 nan 8.250 nan 0.000 0.493 354 L N 2.597 123.736 121.223 -0.139 0.000 2.433 354 L HA 0.088 4.429 4.340 0.001 0.000 0.275 354 L C -1.573 175.205 176.870 -0.153 0.000 1.128 354 L CA -1.535 53.184 54.840 -0.202 0.000 0.875 354 L CB 0.752 42.572 42.059 -0.399 0.000 1.171 354 L HN -0.096 nan 8.230 nan 0.000 0.463 355 P HA -0.133 nan 4.420 nan 0.000 0.222 355 P C 1.494 178.740 177.300 -0.091 0.000 1.147 355 P CA 0.857 63.906 63.100 -0.084 0.000 0.790 355 P CB -0.060 31.607 31.700 -0.056 0.000 0.780 356 c N -2.870 115.657 118.600 -0.121 0.000 2.446 356 c HA 0.134 4.704 4.570 0.001 0.000 0.279 356 c C 1.283 175.295 174.090 -0.131 0.000 1.366 356 c CA 0.039 56.301 56.329 -0.112 0.000 1.763 356 c CB -1.635 40.809 42.510 -0.111 0.000 1.929 356 c HN 0.071 nan 8.230 nan 0.000 0.509 357 L N 1.599 122.712 121.223 -0.184 0.000 2.511 357 L HA 0.356 4.697 4.340 0.001 0.000 0.252 357 L C -2.543 174.248 176.870 -0.131 0.000 1.542 357 L CA -1.314 53.427 54.840 -0.165 0.000 0.822 357 L CB 1.105 43.019 42.059 -0.242 0.000 1.050 357 L HN 0.016 nan 8.230 nan 0.000 0.516 358 P HA 0.112 nan 4.420 nan 0.000 0.267 358 P C 0.985 178.256 177.300 -0.048 0.000 1.209 358 P CA 0.962 64.020 63.100 -0.071 0.000 0.763 358 P CB 1.334 33.000 31.700 -0.057 0.000 0.816 359 G N 1.823 110.600 108.800 -0.039 0.000 2.199 359 G HA2 -0.209 3.752 3.960 0.001 0.000 0.254 359 G HA3 -0.209 3.752 3.960 0.001 0.000 0.254 359 G C 0.203 175.100 174.900 -0.005 0.000 0.982 359 G CA -0.185 44.901 45.100 -0.023 0.000 0.632 359 G HN 0.557 nan 8.290 nan 0.000 0.529 360 E N 0.431 120.638 120.200 0.011 0.000 2.313 360 E HA 0.549 4.899 4.350 0.001 0.000 0.276 360 E C 0.527 177.226 176.600 0.165 0.000 1.031 360 E CA -0.186 56.258 56.400 0.074 0.000 0.857 360 E CB 0.881 30.631 29.700 0.084 0.000 1.040 360 E HN 0.441 nan 8.360 nan 0.000 0.408 361 L N 5.388 126.657 121.223 0.076 0.000 2.325 361 L HA 0.437 4.778 4.340 0.001 0.000 0.278 361 L C -1.991 174.733 176.870 -0.243 0.000 1.023 361 L CA -2.003 52.800 54.840 -0.061 0.000 0.811 361 L CB 1.725 43.724 42.059 -0.100 0.000 1.249 361 L HN 0.261 nan 8.230 nan 0.000 0.431 362 P HA 0.185 nan 4.420 nan 0.000 0.277 362 P C -0.680 176.351 177.300 -0.449 0.000 1.240 362 P CA -0.317 62.214 63.100 -0.949 0.000 0.798 362 P CB 1.194 31.991 31.700 -1.505 0.000 0.979 363 T N -1.466 112.920 114.554 -0.281 0.000 2.936 363 T HA 0.279 4.629 4.350 0.001 0.000 0.282 363 T C 0.979 175.585 174.700 -0.156 0.000 1.003 363 T CA -0.303 61.682 62.100 -0.192 0.000 1.005 363 T CB 0.163 69.018 68.868 -0.021 0.000 1.097 363 T HN 0.195 nan 8.240 nan 0.000 0.532 364 Y N 0.422 120.707 120.300 -0.025 0.000 2.315 364 Y HA -0.106 4.444 4.550 0.001 0.000 0.288 364 Y C 2.872 178.740 175.900 -0.054 0.000 1.154 364 Y CA 1.508 59.559 58.100 -0.083 0.000 1.229 364 Y CB -0.548 37.890 38.460 -0.036 0.000 0.980 364 Y HN 0.727 nan 8.280 nan 0.000 0.540 365 N N 0.081 118.887 118.700 0.176 0.000 2.216 365 N HA -0.171 4.570 4.740 0.001 0.000 0.183 365 N C 1.084 176.699 175.510 0.176 0.000 1.017 365 N CA 1.261 54.409 53.050 0.162 0.000 0.861 365 N CB -0.034 38.553 38.487 0.166 0.000 0.986 365 N HN 0.346 nan 8.380 nan 0.000 0.428 366 D N 0.390 120.910 120.400 0.199 0.000 2.123 366 D HA -0.212 4.429 4.640 0.001 0.000 0.196 366 D C 1.585 178.097 176.300 0.353 0.000 0.992 366 D CA 0.656 54.845 54.000 0.316 0.000 0.833 366 D CB -0.653 40.277 40.800 0.217 0.000 0.954 366 D HN 0.503 nan 8.370 nan 0.000 0.455 367 W N 1.811 123.078 121.300 -0.054 0.000 2.355 367 W HA -0.240 4.421 4.660 0.001 0.000 0.309 367 W C 2.241 178.591 176.519 -0.282 0.000 1.206 367 W CA 1.334 58.414 57.345 -0.441 0.000 1.284 367 W CB 0.082 29.250 29.460 -0.487 0.000 1.145 367 W HN -0.071 nan 8.180 nan 0.000 0.502 368 E N 0.849 120.917 120.200 -0.220 0.000 2.070 368 E HA -0.281 4.070 4.350 0.001 0.000 0.197 368 E C 1.639 178.181 176.600 -0.096 0.000 1.004 368 E CA 2.470 58.770 56.400 -0.167 0.000 0.805 368 E CB -0.970 28.759 29.700 0.047 0.000 0.744 368 E HN 0.399 nan 8.360 nan 0.000 0.451 369 N N -1.316 117.405 118.700 0.034 0.000 2.061 369 N HA -0.244 4.497 4.740 0.001 0.000 0.193 369 N C 1.827 177.310 175.510 -0.045 0.000 1.030 369 N CA 1.233 54.344 53.050 0.101 0.000 0.856 369 N CB -0.331 38.311 38.487 0.259 0.000 1.023 369 N HN 0.268 nan 8.380 nan 0.000 0.424 370 H N 1.098 120.047 119.070 -0.202 0.000 2.353 370 H HA 0.043 4.600 4.556 0.001 0.000 0.300 370 H C 1.949 177.002 175.328 -0.459 0.000 1.090 370 H CA 1.221 57.073 56.048 -0.326 0.000 1.327 370 H CB -0.264 29.298 29.762 -0.333 0.000 1.383 370 H HN 0.122 nan 8.280 nan 0.000 0.508 371 L N -0.493 120.351 121.223 -0.633 0.000 2.127 371 L HA -0.157 4.184 4.340 0.001 0.000 0.211 371 L C 1.899 178.523 176.870 -0.411 0.000 1.089 371 L CA 1.714 56.186 54.840 -0.614 0.000 0.757 371 L CB -0.358 41.330 42.059 -0.619 0.000 0.899 371 L HN 0.343 nan 8.230 nan 0.000 0.434 372 T N -2.088 112.294 114.554 -0.288 0.000 3.148 372 T HA -0.045 4.306 4.350 0.001 0.000 0.253 372 T C 1.606 176.209 174.700 -0.162 0.000 1.134 372 T CA 1.172 63.198 62.100 -0.123 0.000 1.051 372 T CB -0.202 68.688 68.868 0.035 0.000 0.959 372 T HN 0.486 nan 8.240 nan 0.000 0.525 373 T N -0.623 113.662 114.554 -0.449 0.000 3.105 373 T HA 0.403 4.754 4.350 0.001 0.000 0.253 373 T C 0.410 174.307 174.700 -1.338 0.000 1.047 373 T CA -0.340 61.343 62.100 -0.696 0.000 0.944 373 T CB -0.389 68.102 68.868 -0.629 0.000 1.016 373 T HN 0.268 nan 8.240 nan 0.000 0.544 374 I N 1.447 121.384 120.570 -1.055 0.000 2.359 374 I HA 0.414 4.585 4.170 0.001 0.000 0.294 374 I C -0.732 175.001 176.117 -0.640 0.000 0.987 374 I CA -1.200 59.630 61.300 -0.783 0.000 1.225 374 I CB 1.320 39.062 38.000 -0.430 0.000 1.366 374 I HN 0.044 nan 8.210 nan 0.000 0.466 375 F N 5.732 125.714 119.950 0.053 0.000 2.679 375 F HA 0.381 4.908 4.527 0.001 0.000 0.354 375 F C -2.394 173.337 175.800 -0.115 0.000 1.423 375 F CA -2.435 55.544 58.000 -0.035 0.000 1.141 375 F CB -0.376 38.679 39.000 0.092 0.000 1.168 375 F HN 0.214 nan 8.300 nan 0.000 0.530 376 P HA 0.173 nan 4.420 nan 0.000 0.279 376 P C 0.986 178.248 177.300 -0.063 0.000 1.276 376 P CA -0.226 62.911 63.100 0.062 0.000 0.801 376 P CB 1.224 33.017 31.700 0.153 0.000 1.127 377 E N -0.917 119.251 120.200 -0.055 0.000 2.204 377 E HA -0.014 4.336 4.350 0.001 0.000 0.195 377 E C 0.219 176.749 176.600 -0.118 0.000 0.990 377 E CA 1.151 57.490 56.400 -0.101 0.000 0.821 377 E CB -0.141 29.541 29.700 -0.030 0.000 0.750 377 E HN 0.167 nan 8.360 nan 0.000 0.477 378 V N 0.855 120.727 119.914 -0.069 0.000 2.709 378 V HA 0.348 4.469 4.120 0.001 0.000 0.308 378 V C -0.093 175.927 176.094 -0.124 0.000 1.062 378 V CA -0.864 61.331 62.300 -0.176 0.000 0.901 378 V CB 2.794 34.481 31.823 -0.227 0.000 1.003 378 V HN -0.052 nan 8.190 nan 0.000 0.425 379 R N 3.044 123.398 120.500 -0.242 0.000 2.711 379 R HA 0.750 5.090 4.340 0.001 0.000 0.284 379 R C -1.856 174.191 176.300 -0.422 0.000 0.968 379 R CA -0.775 55.227 56.100 -0.163 0.000 0.924 379 R CB 1.941 32.187 30.300 -0.090 0.000 1.162 379 R HN 0.582 nan 8.270 nan 0.000 0.465 380 L N 3.637 124.604 121.223 -0.427 0.000 2.313 380 L HA 0.459 4.799 4.340 0.001 0.000 0.283 380 L C -0.727 175.903 176.870 -0.401 0.000 1.013 380 L CA 0.062 54.541 54.840 -0.601 0.000 0.816 380 L CB 1.404 42.919 42.059 -0.906 0.000 1.236 380 L HN 0.716 nan 8.230 nan 0.000 0.419 381 K N 3.340 123.506 120.400 -0.390 0.000 3.064 381 K HA 0.467 4.787 4.320 0.001 0.000 0.289 381 K C 0.590 177.082 176.600 -0.180 0.000 0.975 381 K CA -0.693 55.404 56.287 -0.317 0.000 1.380 381 K CB 0.575 32.774 32.500 -0.503 0.000 3.395 381 K HN 0.389 nan 8.250 nan 0.000 1.073 382 R N 0.444 120.793 120.500 -0.252 0.000 2.313 382 R HA 0.077 4.417 4.340 0.001 0.000 0.199 382 R C -0.085 176.170 176.300 -0.075 0.000 0.958 382 R CA 0.559 56.594 56.100 -0.108 0.000 1.047 382 R CB -0.018 30.159 30.300 -0.205 0.000 0.955 382 R HN 0.373 nan 8.270 nan 0.000 0.481 388 G N 0.621 109.373 108.800 -0.080 0.000 2.777 388 G HA2 0.271 4.232 3.960 0.001 0.000 0.211 388 G HA3 0.271 4.232 3.960 0.001 0.000 0.211 388 G C 0.507 175.427 174.900 0.033 0.000 1.149 388 G CA 0.626 45.714 45.100 -0.019 0.000 0.785 388 G HN 0.247 nan 8.290 nan 0.000 0.536 389 A N 0.651 123.473 122.820 0.002 0.000 2.301 389 A HA 0.570 4.890 4.320 0.001 0.000 0.312 389 A C -0.807 176.815 177.584 0.062 0.000 1.182 389 A CA -0.580 51.451 52.037 -0.010 0.000 0.826 389 A CB 0.734 19.547 19.000 -0.311 0.000 1.134 389 A HN 0.125 nan 8.150 nan 0.000 0.501 390 D N 1.404 121.893 120.400 0.149 0.000 2.399 390 D HA 0.406 5.046 4.640 0.001 0.000 0.241 390 D C 1.068 177.482 176.300 0.190 0.000 1.133 390 D CA 0.976 55.088 54.000 0.187 0.000 0.890 390 D CB 0.756 41.679 40.800 0.205 0.000 1.201 390 D HN 0.706 nan 8.370 nan 0.000 0.432 391 G N -0.064 108.854 108.800 0.196 0.000 2.630 391 G HA2 0.473 4.433 3.960 0.001 0.000 0.236 391 G HA3 0.473 4.433 3.960 0.001 0.000 0.236 391 G C 0.292 175.341 174.900 0.248 0.000 1.248 391 G CA 0.118 45.352 45.100 0.223 0.000 0.844 391 G HN 0.571 nan 8.290 nan 0.000 0.588 392 G N 0.413 109.375 108.800 0.271 0.000 2.550 392 G HA2 0.683 4.644 3.960 0.001 0.000 0.293 392 G HA3 0.683 4.644 3.960 0.001 0.000 0.293 392 G C -3.163 171.847 174.900 0.184 0.000 1.402 392 G CA -0.698 44.526 45.100 0.206 0.000 0.784 392 G HN 0.625 nan 8.290 nan 0.000 0.482 393 P HA 0.076 nan 4.420 nan 0.000 0.274 393 P C 1.059 178.471 177.300 0.186 0.000 1.260 393 P CA -0.411 62.686 63.100 -0.005 0.000 0.793 393 P CB 0.592 32.261 31.700 -0.050 0.000 1.048 394 W N 1.872 123.293 121.300 0.202 0.000 2.363 394 W HA -0.097 4.564 4.660 0.001 0.000 0.296 394 W C 1.318 177.932 176.519 0.159 0.000 1.212 394 W CA 0.740 58.219 57.345 0.224 0.000 1.260 394 W CB -1.383 28.216 29.460 0.231 0.000 1.131 394 W HN 0.261 nan 8.180 nan 0.000 0.530 395 R N 0.476 120.549 120.500 -0.712 0.000 2.148 395 R HA -0.031 4.310 4.340 0.001 0.000 0.227 395 R C 2.573 178.782 176.300 -0.152 0.000 1.103 395 R CA 1.300 57.001 56.100 -0.664 0.000 0.983 395 R CB -0.292 29.516 30.300 -0.819 0.000 0.874 395 R HN 0.164 nan 8.270 nan 0.000 0.451 396 R N 0.332 120.806 120.500 -0.042 0.000 2.153 396 R HA 0.051 4.392 4.340 0.001 0.000 0.218 396 R C 2.127 178.570 176.300 0.239 0.000 1.072 396 R CA 0.567 56.759 56.100 0.153 0.000 0.990 396 R CB -0.028 30.369 30.300 0.162 0.000 0.889 396 R HN 0.206 nan 8.270 nan 0.000 0.452 397 L N -0.342 120.977 121.223 0.160 0.000 2.131 397 L HA -0.230 4.111 4.340 0.001 0.000 0.210 397 L C 2.163 179.073 176.870 0.066 0.000 1.092 397 L CA 0.979 55.878 54.840 0.099 0.000 0.759 397 L CB -0.363 41.716 42.059 0.032 0.000 0.903 397 L HN 0.307 nan 8.230 nan 0.000 0.435 398 c N -0.810 117.843 118.600 0.088 0.000 2.512 398 c HA 0.153 4.724 4.570 0.001 0.000 0.276 398 c C 3.010 177.115 174.090 0.026 0.000 1.368 398 c CA 0.239 56.567 56.329 -0.002 0.000 1.755 398 c CB -0.713 41.838 42.510 0.069 0.000 2.008 398 c HN 0.560 nan 8.230 nan 0.000 0.511 399 A N 0.618 123.534 122.820 0.161 0.000 1.929 399 A HA -0.043 4.277 4.320 0.001 0.000 0.216 399 A C 2.184 179.940 177.584 0.286 0.000 1.176 399 A CA 1.037 53.223 52.037 0.249 0.000 0.628 399 A CB -0.577 18.579 19.000 0.259 0.000 0.816 399 A HN 0.499 nan 8.150 nan 0.000 0.444 400 L N 0.599 121.929 121.223 0.179 0.000 1.994 400 L HA -0.062 4.279 4.340 0.001 0.000 0.208 400 L C -0.713 176.214 176.870 0.094 0.000 1.071 400 L CA 2.592 57.377 54.840 -0.092 0.000 0.745 400 L CB -1.742 40.075 42.059 -0.404 0.000 0.892 400 L HN 0.219 nan 8.230 nan 0.000 0.431 401 P HA -0.123 nan 4.420 nan 0.000 0.218 401 P C 1.504 178.841 177.300 0.060 0.000 1.149 401 P CA 1.855 64.995 63.100 0.066 0.000 0.817 401 P CB -0.104 31.574 31.700 -0.036 0.000 0.785 402 A N -0.444 122.407 122.820 0.051 0.000 1.902 402 A HA -0.188 4.133 4.320 0.001 0.000 0.217 402 A C 2.146 179.781 177.584 0.084 0.000 1.181 402 A CA 1.285 53.363 52.037 0.069 0.000 0.623 402 A CB -1.827 17.255 19.000 0.136 0.000 0.818 402 A HN 0.123 nan 8.150 nan 0.000 0.443 403 F N -0.783 119.129 119.950 -0.064 0.000 2.069 403 F HA -0.221 4.306 4.527 0.000 0.000 0.298 403 F C 2.023 177.649 175.800 -0.291 0.000 1.113 403 F CA 2.038 59.906 58.000 -0.220 0.000 1.214 403 F CB -0.493 38.308 39.000 -0.331 0.000 0.978 403 F HN 0.409 nan 8.300 nan 0.000 0.474 404 W N -0.678 120.629 121.300 0.010 0.000 2.436 404 W HA -0.045 4.617 4.660 0.002 0.000 0.284 404 W C 2.335 178.713 176.519 -0.235 0.000 1.225 404 W CA 0.902 58.162 57.345 -0.142 0.000 1.271 404 W CB -0.740 28.671 29.460 -0.081 0.000 1.114 404 W HN -0.234 nan 8.180 nan 0.000 0.559 405 V N 0.747 120.646 119.914 -0.025 0.000 2.295 405 V HA -0.244 3.876 4.120 0.001 0.000 0.246 405 V C 2.425 178.515 176.094 -0.008 0.000 1.049 405 V CA 2.156 64.362 62.300 -0.157 0.000 1.024 405 V CB -1.546 30.210 31.823 -0.111 0.000 0.648 405 V HN 0.374 nan 8.190 nan 0.000 0.447 406 G N -0.513 108.272 108.800 -0.025 0.000 2.442 406 G HA2 -0.215 3.746 3.960 0.001 0.000 0.219 406 G HA3 -0.215 3.746 3.960 0.001 0.000 0.219 406 G C 1.562 176.433 174.900 -0.049 0.000 1.141 406 G CA 1.043 46.126 45.100 -0.028 0.000 0.763 406 G HN 0.488 nan 8.290 nan 0.000 0.554 407 L N -0.713 120.440 121.223 -0.116 0.000 2.202 407 L HA 0.271 4.611 4.340 0.001 0.000 0.205 407 L C 2.516 179.411 176.870 0.042 0.000 1.083 407 L CA 0.332 55.116 54.840 -0.094 0.000 0.790 407 L CB -0.056 41.865 42.059 -0.231 0.000 0.942 407 L HN 0.151 nan 8.230 nan 0.000 0.452 408 L N -2.583 118.697 121.223 0.095 0.000 2.515 408 L HA 0.031 4.371 4.340 0.001 0.000 0.223 408 L C 1.567 178.623 176.870 0.310 0.000 1.079 408 L CA 0.104 55.028 54.840 0.140 0.000 0.857 408 L CB 0.013 42.117 42.059 0.074 0.000 1.050 408 L HN 0.161 nan 8.230 nan 0.000 0.476 409 Y N 0.084 120.440 120.300 0.093 0.000 2.457 409 Y HA 0.164 4.714 4.550 0.001 0.000 0.263 409 Y C 0.296 176.353 175.900 0.262 0.000 1.164 409 Y CA -0.963 57.281 58.100 0.240 0.000 1.274 409 Y CB -0.065 38.548 38.460 0.256 0.000 1.097 409 Y HN 0.109 nan 8.280 nan 0.000 0.523 410 D N -0.465 120.106 120.400 0.285 0.000 2.344 410 D HA 0.137 4.777 4.640 0.001 0.000 0.239 410 D C 1.051 177.438 176.300 0.144 0.000 1.064 410 D CA -0.004 54.101 54.000 0.174 0.000 0.829 410 D CB 1.201 42.065 40.800 0.108 0.000 1.129 410 D HN -0.216 nan 8.370 nan 0.000 0.506 411 E N 2.208 122.484 120.200 0.127 0.000 2.110 411 E HA -0.154 4.197 4.350 0.001 0.000 0.193 411 E C 0.749 177.387 176.600 0.065 0.000 0.988 411 E CA 1.222 57.684 56.400 0.104 0.000 0.804 411 E CB 0.147 29.896 29.700 0.083 0.000 0.745 411 E HN 0.567 nan 8.360 nan 0.000 0.458 412 D N -0.847 119.582 120.400 0.048 0.000 2.162 412 D HA -0.072 4.569 4.640 0.001 0.000 0.203 412 D C 2.001 178.317 176.300 0.025 0.000 0.967 412 D CA 0.649 54.666 54.000 0.030 0.000 0.840 412 D CB -0.024 40.788 40.800 0.021 0.000 0.972 412 D HN 0.068 nan 8.370 nan 0.000 0.482 413 V N 1.386 121.319 119.914 0.030 0.000 2.358 413 V HA -0.200 3.921 4.120 0.001 0.000 0.246 413 V C 2.471 178.574 176.094 0.015 0.000 1.047 413 V CA 0.953 63.262 62.300 0.015 0.000 1.035 413 V CB -0.419 31.410 31.823 0.010 0.000 0.658 413 V HN 0.134 nan 8.190 nan 0.000 0.452 414 L N 0.276 121.522 121.223 0.039 0.000 2.042 414 L HA -0.207 4.134 4.340 0.001 0.000 0.210 414 L C 2.430 179.310 176.870 0.016 0.000 1.076 414 L CA 2.283 57.145 54.840 0.037 0.000 0.749 414 L CB -0.868 41.231 42.059 0.067 0.000 0.893 414 L HN 0.362 nan 8.230 nan 0.000 0.432 415 Q N -0.687 119.125 119.800 0.018 0.000 2.084 415 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 415 Q C 2.254 178.250 176.000 -0.007 0.000 0.978 415 Q CA 2.143 57.950 55.803 0.006 0.000 0.844 415 Q CB -0.344 28.401 28.738 0.012 0.000 0.898 415 Q HN 0.599 nan 8.270 nan 0.000 0.426 416 S N -0.909 114.788 115.700 -0.005 0.000 2.368 416 S HA -0.126 4.345 4.470 0.001 0.000 0.225 416 S C 1.885 176.466 174.600 -0.032 0.000 1.030 416 S CA 1.245 59.438 58.200 -0.012 0.000 0.999 416 S CB -0.366 62.830 63.200 -0.007 0.000 0.844 416 S HN 0.268 nan 8.310 nan 0.000 0.459 417 V N 2.104 121.996 119.914 -0.037 0.000 2.343 417 V HA -0.141 3.980 4.120 0.001 0.000 0.247 417 V C 2.162 178.194 176.094 -0.104 0.000 1.051 417 V CA 1.464 63.725 62.300 -0.067 0.000 1.036 417 V CB -0.718 31.080 31.823 -0.041 0.000 0.654 417 V HN 0.419 nan 8.190 nan 0.000 0.451 418 L N -0.243 120.940 121.223 -0.068 0.000 2.083 418 L HA -0.194 4.147 4.340 0.001 0.000 0.209 418 L C 2.379 179.197 176.870 -0.086 0.000 1.083 418 L CA 1.542 56.338 54.840 -0.073 0.000 0.752 418 L CB -0.765 41.271 42.059 -0.038 0.000 0.899 418 L HN 0.343 nan 8.230 nan 0.000 0.433 419 D N 0.057 120.420 120.400 -0.061 0.000 2.097 419 D HA -0.191 4.450 4.640 0.001 0.000 0.195 419 D C 2.067 178.323 176.300 -0.073 0.000 0.989 419 D CA 1.106 55.078 54.000 -0.046 0.000 0.827 419 D CB -0.254 40.534 40.800 -0.020 0.000 0.966 419 D HN 0.137 nan 8.370 nan 0.000 0.456 420 L N 0.727 121.892 121.223 -0.097 0.000 2.079 420 L HA -0.133 4.207 4.340 0.001 0.000 0.210 420 L C 2.063 178.742 176.870 -0.318 0.000 1.081 420 L CA 2.128 56.905 54.840 -0.105 0.000 0.752 420 L CB -0.813 41.200 42.059 -0.077 0.000 0.896 420 L HN 0.148 nan 8.230 nan 0.000 0.433 421 T N -4.343 109.875 114.554 -0.560 0.000 3.086 421 T HA 0.304 4.655 4.350 0.001 0.000 0.250 421 T C 1.805 176.178 174.700 -0.546 0.000 1.074 421 T CA 0.315 61.725 62.100 -1.149 0.000 0.988 421 T CB -0.286 67.948 68.868 -1.057 0.000 0.988 421 T HN 0.300 nan 8.240 nan 0.000 0.530 422 A N 3.404 126.087 122.820 -0.228 0.000 1.903 422 A HA -0.202 4.118 4.320 0.001 0.000 0.219 422 A C 2.023 179.620 177.584 0.022 0.000 1.191 422 A CA 2.078 54.082 52.037 -0.055 0.000 0.638 422 A CB -0.852 18.136 19.000 -0.021 0.000 0.823 422 A HN 0.731 nan 8.150 nan 0.000 0.451 423 D N -2.433 118.014 120.400 0.078 0.000 2.325 423 D HA 0.020 4.660 4.640 0.001 0.000 0.225 423 D C -0.320 176.167 176.300 0.311 0.000 1.096 423 D CA -0.526 53.572 54.000 0.164 0.000 0.844 423 D CB -0.456 40.432 40.800 0.146 0.000 0.925 423 D HN 0.405 nan 8.370 nan 0.000 0.513 424 W N 2.592 123.926 121.300 0.055 0.000 2.253 424 W HA 0.295 4.955 4.660 0.000 0.000 0.322 424 W C 1.032 177.533 176.519 -0.031 0.000 1.342 424 W CA -1.146 56.237 57.345 0.064 0.000 1.218 424 W CB 0.041 29.550 29.460 0.080 0.000 1.205 424 W HN -0.147 nan 8.180 nan 0.000 0.551 425 T N 1.113 115.771 114.554 0.172 0.000 2.882 425 T HA 0.233 4.584 4.350 0.001 0.000 0.287 425 T C -1.605 173.081 174.700 -0.023 0.000 1.014 425 T CA -1.566 60.562 62.100 0.047 0.000 1.049 425 T CB 1.620 70.506 68.868 0.029 0.000 1.001 425 T HN 0.086 nan 8.240 nan 0.000 0.525 426 P HA -0.083 nan 4.420 nan 0.000 0.216 426 P C 1.595 178.863 177.300 -0.053 0.000 1.150 426 P CA 1.581 64.614 63.100 -0.112 0.000 0.843 426 P CB -0.306 31.346 31.700 -0.081 0.000 0.787 427 A N -0.254 122.554 122.820 -0.021 0.000 1.930 427 A HA -0.198 4.123 4.320 0.001 0.000 0.217 427 A C 2.163 179.747 177.584 0.001 0.000 1.175 427 A CA 1.421 53.455 52.037 -0.006 0.000 0.627 427 A CB -1.041 17.959 19.000 0.000 0.000 0.815 427 A HN 0.171 nan 8.150 nan 0.000 0.443 428 E N -0.288 119.919 120.200 0.013 0.000 2.051 428 E HA -0.191 4.159 4.350 0.001 0.000 0.192 428 E C 2.335 178.929 176.600 -0.010 0.000 0.991 428 E CA 1.143 57.566 56.400 0.038 0.000 0.799 428 E CB -0.200 29.554 29.700 0.090 0.000 0.748 428 E HN 0.531 nan 8.360 nan 0.000 0.449 429 R N 0.957 121.450 120.500 -0.013 0.000 2.091 429 R HA -0.104 4.236 4.340 0.001 0.000 0.238 429 R C 1.532 177.817 176.300 -0.025 0.000 1.136 429 R CA 0.784 56.869 56.100 -0.024 0.000 0.959 429 R CB -0.273 29.993 30.300 -0.058 0.000 0.856 429 R HN 0.089 nan 8.270 nan 0.000 0.437 433 R N 1.665 122.171 120.500 0.009 0.000 2.091 433 R HA -0.101 4.239 4.340 0.001 0.000 0.238 433 R C 1.217 177.564 176.300 0.078 0.000 1.136 433 R CA 2.477 58.606 56.100 0.049 0.000 0.959 433 R CB -0.283 30.048 30.300 0.052 0.000 0.856 433 R HN 0.514 nan 8.270 nan 0.000 0.437 434 N N -0.370 118.376 118.700 0.077 0.000 2.333 434 N HA -0.050 4.691 4.740 0.001 0.000 0.178 434 N C 1.518 177.100 175.510 0.121 0.000 1.018 434 N CA 0.748 53.868 53.050 0.117 0.000 0.882 434 N CB 0.189 38.737 38.487 0.102 0.000 0.984 434 N HN 0.199 nan 8.380 nan 0.000 0.434 435 K N 0.299 120.739 120.400 0.067 0.000 2.242 435 K HA 0.111 4.431 4.320 0.001 0.000 0.200 435 K C 1.780 178.401 176.600 0.035 0.000 1.050 435 K CA 0.256 56.566 56.287 0.039 0.000 0.981 435 K CB 0.159 32.665 32.500 0.009 0.000 0.795 435 K HN -0.045 nan 8.250 nan 0.000 0.477 436 V N 2.204 122.140 119.914 0.037 0.000 2.282 436 V HA -0.195 3.926 4.120 0.001 0.000 0.249 436 V C -1.069 175.065 176.094 0.066 0.000 1.057 436 V CA 1.926 64.245 62.300 0.032 0.000 1.032 436 V CB -1.069 30.770 31.823 0.028 0.000 0.645 436 V HN 0.150 nan 8.190 nan 0.000 0.447 437 P HA -0.157 nan 4.420 nan 0.000 0.218 437 P C 1.644 179.081 177.300 0.228 0.000 1.147 437 P CA 1.560 64.793 63.100 0.222 0.000 0.827 437 P CB -0.020 31.885 31.700 0.343 0.000 0.778 438 V N -1.490 118.468 119.914 0.072 0.000 2.521 438 V HA -0.065 4.056 4.120 0.001 0.000 0.239 438 V C 2.147 178.172 176.094 -0.115 0.000 1.053 438 V CA 2.295 64.508 62.300 -0.145 0.000 1.073 438 V CB -1.348 30.310 31.823 -0.275 0.000 0.746 438 V HN 0.195 nan 8.190 nan 0.000 0.476 439 T N -3.044 111.467 114.554 -0.072 0.000 3.023 439 T HA 0.459 4.810 4.350 0.001 0.000 0.253 439 T C 1.348 176.014 174.700 -0.058 0.000 1.038 439 T CA 0.761 62.817 62.100 -0.073 0.000 0.962 439 T CB 0.694 69.521 68.868 -0.069 0.000 1.018 439 T HN 0.845 nan 8.240 nan 0.000 0.521 440 G N 2.645 111.422 108.800 -0.038 0.000 2.591 440 G HA2 -0.314 3.647 3.960 0.001 0.000 0.298 440 G HA3 -0.314 3.647 3.960 0.001 0.000 0.298 440 G C 0.631 175.500 174.900 -0.051 0.000 1.195 440 G CA 0.328 45.406 45.100 -0.038 0.000 0.989 440 G HN 0.495 nan 8.290 nan 0.000 0.551 441 L N 0.837 122.021 121.223 -0.066 0.000 2.552 441 L HA 0.134 4.474 4.340 0.001 0.000 0.227 441 L C 2.351 179.162 176.870 -0.097 0.000 1.146 441 L CA 1.116 55.908 54.840 -0.080 0.000 0.858 441 L CB -0.288 41.719 42.059 -0.087 0.000 0.969 441 L HN 0.425 nan 8.230 nan 0.000 0.451 442 K N -0.417 119.933 120.400 -0.084 0.000 2.458 442 K HA 0.091 4.412 4.320 0.001 0.000 0.194 442 K C 0.329 176.892 176.600 -0.062 0.000 1.024 442 K CA -0.049 56.190 56.287 -0.081 0.000 1.108 442 K CB 0.033 32.490 32.500 -0.072 0.000 0.846 442 K HN 0.104 nan 8.250 nan 0.000 0.518 443 T N 4.197 118.719 114.554 -0.053 0.000 2.829 443 T HA 0.074 4.425 4.350 0.001 0.000 0.293 443 T C -2.468 172.228 174.700 -0.006 0.000 0.970 443 T CA -1.079 61.002 62.100 -0.033 0.000 1.168 443 T CB 0.551 69.399 68.868 -0.034 0.000 0.911 443 T HN -0.017 nan 8.240 nan 0.000 0.535 444 P HA 0.254 nan 4.420 nan 0.000 0.268 444 P C -0.927 176.434 177.300 0.101 0.000 1.204 444 P CA -0.235 62.881 63.100 0.027 0.000 0.768 444 P CB 0.202 31.901 31.700 -0.001 0.000 0.842 445 F N 4.631 124.526 119.950 -0.092 0.000 2.730 445 F HA 0.392 4.920 4.527 0.000 0.000 0.335 445 F C 0.710 176.447 175.800 -0.105 0.000 1.212 445 F CA -0.488 57.427 58.000 -0.141 0.000 1.016 445 F CB 0.933 39.810 39.000 -0.205 0.000 1.290 445 F HN 0.384 nan 8.300 nan 0.000 0.495 446 R N 1.795 121.918 120.500 -0.630 0.000 3.923 446 R HA -0.316 4.025 4.340 0.001 0.000 0.400 446 R C 0.665 176.828 176.300 -0.228 0.000 0.241 446 R CA 2.113 57.910 56.100 -0.504 0.000 1.284 446 R CB -1.389 28.477 30.300 -0.724 0.000 1.006 446 R HN 0.778 nan 8.270 nan 0.000 0.559 447 D N 0.711 121.014 120.400 -0.161 0.000 2.358 447 D HA 0.444 5.085 4.640 0.001 0.000 0.224 447 D C 0.565 176.861 176.300 -0.006 0.000 1.123 447 D CA 0.898 54.854 54.000 -0.073 0.000 0.833 447 D CB 0.553 41.313 40.800 -0.066 0.000 0.946 447 D HN 0.685 nan 8.370 nan 0.000 0.505 448 G N -0.895 107.929 108.800 0.040 0.000 2.827 448 G HA2 0.579 4.540 3.960 0.001 0.000 0.202 448 G HA3 0.579 4.540 3.960 0.001 0.000 0.202 448 G C -1.221 173.765 174.900 0.144 0.000 1.185 448 G CA -0.435 44.774 45.100 0.181 0.000 0.920 448 G HN 0.323 nan 8.290 nan 0.000 0.550 449 L N 0.349 121.655 121.223 0.138 0.000 2.341 449 L HA 0.446 4.786 4.340 0.001 0.000 0.267 449 L C 1.169 178.008 176.870 -0.053 0.000 1.009 449 L CA -0.821 53.977 54.840 -0.069 0.000 0.819 449 L CB 2.304 44.192 42.059 -0.285 0.000 1.323 449 L HN 0.454 nan 8.230 nan 0.000 0.425 450 L N 1.757 122.967 121.223 -0.022 0.000 2.129 450 L HA -0.193 4.148 4.340 0.001 0.000 0.212 450 L C 2.484 179.327 176.870 -0.044 0.000 1.087 450 L CA 1.832 56.658 54.840 -0.023 0.000 0.757 450 L CB -0.666 41.349 42.059 -0.074 0.000 0.896 450 L HN 0.709 nan 8.230 nan 0.000 0.434 451 K N -1.189 119.123 120.400 -0.147 0.000 2.089 451 K HA -0.281 4.039 4.320 0.001 0.000 0.210 451 K C 1.976 178.532 176.600 -0.072 0.000 1.048 451 K CA 2.298 58.487 56.287 -0.163 0.000 0.926 451 K CB -0.295 32.038 32.500 -0.278 0.000 0.714 451 K HN 0.604 nan 8.250 nan 0.000 0.448 452 H N -0.910 118.198 119.070 0.063 0.000 2.389 452 H HA -0.075 4.481 4.556 0.001 0.000 0.299 452 H C 2.095 177.487 175.328 0.107 0.000 1.081 452 H CA 1.141 57.234 56.048 0.075 0.000 1.345 452 H CB 0.189 29.996 29.762 0.074 0.000 1.393 452 H HN -0.013 nan 8.280 nan 0.000 0.520 453 V N 0.984 121.045 119.914 0.245 0.000 2.358 453 V HA -0.251 3.870 4.120 0.001 0.000 0.246 453 V C 2.647 178.847 176.094 0.178 0.000 1.047 453 V CA 1.579 64.027 62.300 0.245 0.000 1.035 453 V CB -0.866 31.131 31.823 0.289 0.000 0.658 453 V HN 0.554 nan 8.190 nan 0.000 0.452 454 A N -0.336 122.559 122.820 0.126 0.000 1.933 454 A HA -0.250 4.070 4.320 0.001 0.000 0.218 454 A C 2.151 179.793 177.584 0.097 0.000 1.175 454 A CA 1.882 53.981 52.037 0.103 0.000 0.628 454 A CB -0.468 18.560 19.000 0.046 0.000 0.814 454 A HN 0.633 nan 8.150 nan 0.000 0.444 455 E N -0.047 120.209 120.200 0.094 0.000 2.049 455 E HA -0.231 4.120 4.350 0.001 0.000 0.198 455 E C 1.569 178.217 176.600 0.080 0.000 1.007 455 E CA 1.447 57.899 56.400 0.086 0.000 0.809 455 E CB -0.246 29.519 29.700 0.108 0.000 0.749 455 E HN 0.551 nan 8.360 nan 0.000 0.450 456 D N 0.086 120.544 120.400 0.096 0.000 2.117 456 D HA -0.122 4.518 4.640 0.001 0.000 0.197 456 D C 2.072 178.403 176.300 0.052 0.000 0.987 456 D CA 0.746 54.792 54.000 0.076 0.000 0.829 456 D CB -0.302 40.557 40.800 0.098 0.000 0.961 456 D HN 0.016 nan 8.370 nan 0.000 0.460 457 V N 0.897 120.850 119.914 0.066 0.000 2.407 457 V HA -0.190 3.930 4.120 0.001 0.000 0.248 457 V C 2.384 178.469 176.094 -0.015 0.000 1.055 457 V CA 0.970 63.282 62.300 0.020 0.000 1.049 457 V CB -0.356 31.515 31.823 0.079 0.000 0.662 457 V HN 0.135 nan 8.190 nan 0.000 0.455 458 L N 0.170 121.428 121.223 0.058 0.000 2.056 458 L HA -0.104 4.237 4.340 0.001 0.000 0.207 458 L C 2.379 179.257 176.870 0.014 0.000 1.078 458 L CA 1.959 56.836 54.840 0.063 0.000 0.749 458 L CB -0.790 41.323 42.059 0.090 0.000 0.901 458 L HN 0.183 nan 8.230 nan 0.000 0.433 459 K N -0.587 119.823 120.400 0.017 0.000 2.057 459 K HA -0.157 4.163 4.320 0.001 0.000 0.207 459 K C 2.117 178.712 176.600 -0.008 0.000 1.049 459 K CA 1.620 57.912 56.287 0.009 0.000 0.931 459 K CB -0.199 32.311 32.500 0.018 0.000 0.714 459 K HN 0.379 nan 8.250 nan 0.000 0.440 460 L N 0.359 121.568 121.223 -0.023 0.000 2.046 460 L HA -0.173 4.168 4.340 0.001 0.000 0.208 460 L C 2.599 179.429 176.870 -0.067 0.000 1.077 460 L CA 1.277 56.094 54.840 -0.039 0.000 0.747 460 L CB -0.481 41.548 42.059 -0.049 0.000 0.896 460 L HN 0.218 nan 8.230 nan 0.000 0.432 461 A N 0.034 122.780 122.820 -0.123 0.000 1.902 461 A HA -0.217 4.103 4.320 0.001 0.000 0.217 461 A C 2.307 179.855 177.584 -0.061 0.000 1.181 461 A CA 1.658 53.595 52.037 -0.166 0.000 0.623 461 A CB -0.326 18.482 19.000 -0.321 0.000 0.818 461 A HN 0.326 nan 8.150 nan 0.000 0.443 462 K N -0.401 119.985 120.400 -0.024 0.000 2.097 462 K HA -0.126 4.194 4.320 0.001 0.000 0.205 462 K C 1.449 178.056 176.600 0.012 0.000 1.050 462 K CA 1.313 57.606 56.287 0.009 0.000 0.938 462 K CB -0.218 32.292 32.500 0.016 0.000 0.718 462 K HN 0.378 nan 8.250 nan 0.000 0.442 463 D N 0.353 120.755 120.400 0.003 0.000 2.104 463 D HA -0.129 4.511 4.640 0.001 0.000 0.194 463 D C 1.989 178.297 176.300 0.015 0.000 0.994 463 D CA 1.445 55.449 54.000 0.008 0.000 0.830 463 D CB -0.574 40.227 40.800 0.003 0.000 0.959 463 D HN 0.342 nan 8.370 nan 0.000 0.452 464 G N 0.630 109.438 108.800 0.013 0.000 2.440 464 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 464 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 464 G C 1.760 176.693 174.900 0.054 0.000 1.154 464 G CA 0.359 45.480 45.100 0.035 0.000 0.767 464 G HN 0.259 nan 8.290 nan 0.000 0.552 465 L N 0.089 121.343 121.223 0.053 0.000 2.109 465 L HA 0.001 4.341 4.340 0.001 0.000 0.207 465 L C 2.926 179.837 176.870 0.068 0.000 1.086 465 L CA 0.781 55.670 54.840 0.081 0.000 0.760 465 L CB -0.354 41.760 42.059 0.091 0.000 0.910 465 L HN 0.194 nan 8.230 nan 0.000 0.437 466 E N 0.582 120.809 120.200 0.045 0.000 2.058 466 E HA -0.222 4.128 4.350 0.001 0.000 0.194 466 E C 2.257 178.863 176.600 0.011 0.000 0.997 466 E CA 1.252 57.671 56.400 0.032 0.000 0.801 466 E CB -0.158 29.555 29.700 0.022 0.000 0.746 466 E HN 0.486 nan 8.360 nan 0.000 0.450 467 R N 0.396 120.900 120.500 0.006 0.000 2.189 467 R HA 0.015 4.356 4.340 0.001 0.000 0.218 467 R C 2.386 178.655 176.300 -0.052 0.000 1.074 467 R CA 0.404 56.495 56.100 -0.015 0.000 0.991 467 R CB -0.091 30.207 30.300 -0.002 0.000 0.883 467 R HN 0.033 nan 8.270 nan 0.000 0.457 468 R N -0.368 120.106 120.500 -0.043 0.000 2.152 468 R HA -0.088 4.253 4.340 0.001 0.000 0.232 468 R C 1.239 177.305 176.300 -0.390 0.000 1.117 468 R CA 1.202 57.213 56.100 -0.149 0.000 0.981 468 R CB -0.035 30.269 30.300 0.007 0.000 0.870 468 R HN 0.465 nan 8.270 nan 0.000 0.451 469 G N -1.154 107.522 108.800 -0.207 0.000 2.176 469 G HA2 -0.272 3.689 3.960 0.001 0.000 0.253 469 G HA3 -0.272 3.689 3.960 0.001 0.000 0.253 469 G C 0.239 175.086 174.900 -0.089 0.000 0.979 469 G CA 0.260 45.250 45.100 -0.183 0.000 0.641 469 G HN 0.361 nan 8.290 nan 0.000 0.530 470 Y N 0.663 121.037 120.300 0.123 0.000 2.457 470 Y HA 0.345 4.896 4.550 0.001 0.000 0.263 470 Y C 1.432 177.505 175.900 0.288 0.000 1.164 470 Y CA -0.192 58.020 58.100 0.188 0.000 1.274 470 Y CB 0.460 39.039 38.460 0.199 0.000 1.097 470 Y HN 0.220 nan 8.280 nan 0.000 0.523 471 K N 0.089 120.677 120.400 0.313 0.000 3.125 471 K HA -0.261 4.060 4.320 0.001 0.000 0.268 471 K C -0.017 176.767 176.600 0.307 0.000 1.078 471 K CA 0.838 57.287 56.287 0.270 0.000 0.775 471 K CB -2.196 30.445 32.500 0.235 0.000 1.253 471 K HN 0.584 nan 8.250 nan 0.000 0.486 472 E N -0.047 120.287 120.200 0.223 0.000 2.474 472 E HA 0.042 4.393 4.350 0.001 0.000 0.195 472 E C 1.554 178.257 176.600 0.172 0.000 1.039 472 E CA 0.336 56.837 56.400 0.168 0.000 0.881 472 E CB 0.353 30.165 29.700 0.186 0.000 0.970 472 E HN 0.192 nan 8.360 nan 0.000 0.486 473 V N 0.938 120.915 119.914 0.105 0.000 2.469 473 V HA -0.185 3.935 4.120 0.001 0.000 0.251 473 V C 2.007 178.122 176.094 0.034 0.000 1.064 473 V CA 2.275 64.621 62.300 0.076 0.000 1.066 473 V CB -0.495 31.359 31.823 0.051 0.000 0.667 473 V HN 0.429 nan 8.190 nan 0.000 0.461 474 G N -1.143 107.623 108.800 -0.057 0.000 2.470 474 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 474 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 474 G C 1.256 176.057 174.900 -0.164 0.000 1.121 474 G CA 0.730 45.746 45.100 -0.139 0.000 0.766 474 G HN 0.554 nan 8.290 nan 0.000 0.553 475 F N 0.273 120.241 119.950 0.030 0.000 2.494 475 F HA 0.156 4.684 4.527 0.002 0.000 0.298 475 F C 2.147 177.960 175.800 0.021 0.000 1.106 475 F CA 0.429 58.441 58.000 0.021 0.000 1.452 475 F CB 0.009 39.020 39.000 0.019 0.000 1.085 475 F HN 0.084 nan 8.300 nan 0.000 0.569 476 L N -0.700 120.619 121.223 0.160 0.000 2.607 476 L HA 0.046 4.386 4.340 0.001 0.000 0.228 476 L C 1.572 178.461 176.870 0.032 0.000 1.123 476 L CA -0.058 54.847 54.840 0.109 0.000 0.890 476 L CB -0.386 41.740 42.059 0.111 0.000 1.103 476 L HN -0.008 nan 8.230 nan 0.000 0.468 477 N N 1.355 120.058 118.700 0.004 0.000 2.149 477 N HA -0.176 4.565 4.740 0.001 0.000 0.188 477 N C 1.917 177.393 175.510 -0.057 0.000 1.019 477 N CA 1.474 54.505 53.050 -0.031 0.000 0.857 477 N CB -0.128 38.330 38.487 -0.049 0.000 0.997 477 N HN 0.303 nan 8.380 nan 0.000 0.426 478 A N 0.342 123.123 122.820 -0.066 0.000 2.125 478 A HA -0.043 4.277 4.320 0.001 0.000 0.219 478 A C 1.916 179.400 177.584 -0.168 0.000 1.156 478 A CA 1.434 53.400 52.037 -0.118 0.000 0.671 478 A CB -0.264 18.663 19.000 -0.122 0.000 0.794 478 A HN 0.236 nan 8.150 nan 0.000 0.459 479 V N -5.285 114.534 119.914 -0.158 0.000 3.477 479 V HA 0.127 4.247 4.120 0.001 0.000 0.297 479 V C 1.605 177.619 176.094 -0.133 0.000 1.433 479 V CA 1.016 63.181 62.300 -0.224 0.000 1.052 479 V CB -0.608 31.014 31.823 -0.334 0.000 0.895 479 V HN 0.201 nan 8.190 nan 0.000 0.438 480 T N 0.886 115.392 114.554 -0.080 0.000 2.777 480 T HA -0.081 4.269 4.350 0.001 0.000 0.266 480 T C 1.818 176.485 174.700 -0.055 0.000 1.040 480 T CA 2.006 64.077 62.100 -0.048 0.000 1.141 480 T CB -0.162 68.689 68.868 -0.029 0.000 0.868 480 T HN 0.485 nan 8.240 nan 0.000 0.444 481 E N 0.794 120.954 120.200 -0.068 0.000 2.152 481 E HA -0.013 4.337 4.350 0.001 0.000 0.192 481 E C 2.454 179.008 176.600 -0.077 0.000 0.983 481 E CA 0.405 56.767 56.400 -0.063 0.000 0.818 481 E CB -0.519 29.144 29.700 -0.062 0.000 0.758 481 E HN 0.310 nan 8.360 nan 0.000 0.467 482 V N 0.956 120.806 119.914 -0.107 0.000 2.255 482 V HA -0.233 3.887 4.120 0.001 0.000 0.247 482 V C 2.540 178.576 176.094 -0.096 0.000 1.051 482 V CA 1.490 63.717 62.300 -0.122 0.000 1.018 482 V CB -0.609 31.101 31.823 -0.188 0.000 0.641 482 V HN 0.074 nan 8.190 nan 0.000 0.445 483 V N -0.316 119.547 119.914 -0.084 0.000 2.343 483 V HA -0.210 3.910 4.120 0.001 0.000 0.247 483 V C 2.675 178.751 176.094 -0.031 0.000 1.051 483 V CA 1.970 64.240 62.300 -0.050 0.000 1.036 483 V CB -0.772 31.036 31.823 -0.024 0.000 0.654 483 V HN 0.429 nan 8.190 nan 0.000 0.451 484 R N 0.585 121.068 120.500 -0.029 0.000 2.073 484 R HA -0.150 4.190 4.340 0.001 0.000 0.234 484 R C 2.435 178.724 176.300 -0.019 0.000 1.134 484 R CA 2.282 58.373 56.100 -0.015 0.000 0.952 484 R CB -0.713 29.576 30.300 -0.018 0.000 0.850 484 R HN 0.703 nan 8.270 nan 0.000 0.433 485 T N -3.812 110.721 114.554 -0.035 0.000 3.054 485 T HA 0.115 4.466 4.350 0.001 0.000 0.259 485 T C 1.342 176.014 174.700 -0.047 0.000 1.092 485 T CA 0.898 62.976 62.100 -0.038 0.000 1.121 485 T CB 0.188 69.029 68.868 -0.046 0.000 0.912 485 T HN 0.407 nan 8.240 nan 0.000 0.489 486 G N 0.707 109.472 108.800 -0.059 0.000 2.155 486 G HA2 -0.209 3.752 3.960 0.001 0.000 0.257 486 G HA3 -0.209 3.752 3.960 0.001 0.000 0.257 486 G C 0.023 174.877 174.900 -0.078 0.000 0.983 486 G CA 0.125 45.180 45.100 -0.075 0.000 0.676 486 G HN 0.764 nan 8.290 nan 0.000 0.528 487 V N 2.165 122.032 119.914 -0.078 0.000 2.357 487 V HA 0.588 4.709 4.120 0.001 0.000 0.284 487 V C 1.040 177.077 176.094 -0.094 0.000 1.018 487 V CA -0.103 62.148 62.300 -0.081 0.000 0.841 487 V CB 1.234 33.013 31.823 -0.073 0.000 0.991 487 V HN 0.652 nan 8.190 nan 0.000 0.437 488 T N 3.620 118.117 114.554 -0.096 0.000 2.860 488 T HA 0.218 4.569 4.350 0.001 0.000 0.299 488 T C -1.658 172.979 174.700 -0.104 0.000 1.045 488 T CA -1.379 60.658 62.100 -0.105 0.000 1.071 488 T CB 1.029 69.844 68.868 -0.088 0.000 0.985 488 T HN 0.405 nan 8.240 nan 0.000 0.537 489 P HA -0.091 nan 4.420 nan 0.000 0.216 489 P C 1.661 178.915 177.300 -0.076 0.000 1.150 489 P CA 1.581 64.630 63.100 -0.085 0.000 0.843 489 P CB -0.329 31.325 31.700 -0.075 0.000 0.787 490 A N -0.078 122.689 122.820 -0.087 0.000 1.933 490 A HA -0.235 4.085 4.320 0.001 0.000 0.218 490 A C 2.128 179.614 177.584 -0.163 0.000 1.175 490 A CA 1.719 53.675 52.037 -0.136 0.000 0.628 490 A CB -1.209 17.712 19.000 -0.132 0.000 0.814 490 A HN 0.199 nan 8.150 nan 0.000 0.444 491 E N -0.120 120.004 120.200 -0.126 0.000 2.150 491 E HA -0.159 4.192 4.350 0.001 0.000 0.193 491 E C 1.760 178.294 176.600 -0.111 0.000 0.985 491 E CA 1.204 57.533 56.400 -0.117 0.000 0.814 491 E CB -0.256 29.385 29.700 -0.098 0.000 0.752 491 E HN 0.779 nan 8.360 nan 0.000 0.466 492 N N 0.470 119.107 118.700 -0.105 0.000 2.166 492 N HA -0.125 4.616 4.740 0.001 0.000 0.186 492 N C 1.767 177.187 175.510 -0.151 0.000 1.019 492 N CA 0.696 53.680 53.050 -0.110 0.000 0.856 492 N CB -0.014 38.422 38.487 -0.085 0.000 0.993 492 N HN 0.068 nan 8.380 nan 0.000 0.426 493 L N 0.210 121.361 121.223 -0.121 0.000 2.056 493 L HA -0.122 4.218 4.340 0.001 0.000 0.207 493 L C 1.915 178.735 176.870 -0.083 0.000 1.078 493 L CA 0.517 55.290 54.840 -0.112 0.000 0.749 493 L CB -0.367 41.748 42.059 0.093 0.000 0.901 493 L HN 0.207 nan 8.230 nan 0.000 0.433 494 L N 0.210 121.393 121.223 -0.067 0.000 2.042 494 L HA -0.131 4.210 4.340 0.001 0.000 0.210 494 L C 1.709 178.585 176.870 0.010 0.000 1.076 494 L CA 1.301 56.153 54.840 0.020 0.000 0.749 494 L CB -0.912 41.098 42.059 -0.081 0.000 0.893 494 L HN 0.325 nan 8.230 nan 0.000 0.432 498 N N 1.391 120.121 118.700 0.050 0.000 2.467 498 N HA 0.158 4.899 4.740 0.001 0.000 0.184 498 N C 0.823 176.291 175.510 -0.070 0.000 1.106 498 N CA 1.196 54.244 53.050 -0.005 0.000 0.892 498 N CB 0.816 39.349 38.487 0.076 0.000 0.969 498 N HN 0.618 nan 8.380 nan 0.000 0.454 499 G N 1.376 110.114 108.800 -0.103 0.000 2.851 499 G HA2 0.006 3.966 3.960 0.001 0.000 0.208 499 G HA3 0.006 3.966 3.960 0.001 0.000 0.208 499 G C 0.848 175.713 174.900 -0.058 0.000 1.894 499 G CA -0.012 45.039 45.100 -0.083 0.000 0.732 499 G HN 0.225 nan 8.290 nan 0.000 0.802 500 E N -0.240 119.929 120.200 -0.052 0.000 2.171 500 E HA -0.206 4.145 4.350 0.001 0.000 0.197 500 E C 1.807 178.528 176.600 0.202 0.000 0.997 500 E CA 1.491 57.922 56.400 0.053 0.000 0.810 500 E CB -0.225 29.516 29.700 0.068 0.000 0.738 500 E HN 0.468 nan 8.360 nan 0.000 0.467 501 W N 0.968 122.228 121.300 -0.067 0.000 2.937 501 W HA 0.284 4.945 4.660 0.001 0.000 0.245 501 W C 1.407 177.823 176.519 -0.172 0.000 1.306 501 W CA 0.648 57.932 57.345 -0.102 0.000 1.470 501 W CB -0.624 28.779 29.460 -0.095 0.000 1.132 501 W HN 0.303 nan 8.180 nan 0.000 0.675 502 G N 1.059 109.869 108.800 0.017 0.000 2.249 502 G HA2 -0.375 3.586 3.960 0.001 0.000 0.273 502 G HA3 -0.375 3.586 3.960 0.001 0.000 0.273 502 G C 0.507 175.278 174.900 -0.216 0.000 1.036 502 G CA 0.480 45.528 45.100 -0.086 0.000 0.824 502 G HN 0.381 nan 8.290 nan 0.000 0.504 503 Q N -2.083 117.437 119.800 -0.467 0.000 2.468 503 Q HA -0.167 4.173 4.340 0.001 0.000 0.289 503 Q C 0.368 176.023 176.000 -0.576 0.000 1.299 503 Q CA 1.120 56.301 55.803 -1.037 0.000 0.838 503 Q CB -1.618 26.747 28.738 -0.621 0.000 1.195 503 Q HN 1.303 nan 8.270 nan 0.000 0.456 504 S N -0.831 114.683 115.700 -0.310 0.000 2.526 504 S HA 0.571 5.041 4.470 0.001 0.000 0.293 504 S C 0.732 175.328 174.600 -0.006 0.000 1.092 504 S CA -0.282 57.862 58.200 -0.093 0.000 0.980 504 S CB 1.977 65.103 63.200 -0.124 0.000 1.048 504 S HN 0.579 nan 8.310 nan 0.000 0.483 505 V N 1.201 121.071 119.914 -0.074 0.000 3.461 505 V HA 0.174 4.295 4.120 0.001 0.000 0.267 505 V C 1.354 177.262 176.094 -0.311 0.000 1.186 505 V CA 1.007 63.137 62.300 -0.283 0.000 1.154 505 V CB -0.769 30.798 31.823 -0.426 0.000 0.802 505 V HN 0.723 nan 8.190 nan 0.000 0.474 506 D N 1.933 122.185 120.400 -0.247 0.000 2.149 506 D HA -0.074 4.567 4.640 0.001 0.000 0.198 506 D C -0.257 175.873 176.300 -0.283 0.000 0.990 506 D CA 1.846 55.725 54.000 -0.200 0.000 0.839 506 D CB -1.595 39.064 40.800 -0.235 0.000 0.948 506 D HN 0.457 nan 8.370 nan 0.000 0.460 507 P HA -0.069 nan 4.420 nan 0.000 0.225 507 P C 1.609 178.368 177.300 -0.901 0.000 1.148 507 P CA 0.311 62.914 63.100 -0.828 0.000 0.779 507 P CB 0.158 31.050 31.700 -1.347 0.000 0.780 508 V N -1.408 117.902 119.914 -1.007 0.000 2.720 508 V HA -0.192 3.928 4.120 0.001 0.000 0.256 508 V C 1.562 177.438 176.094 -0.364 0.000 1.082 508 V CA 1.559 63.520 62.300 -0.565 0.000 1.101 508 V CB -1.122 30.519 31.823 -0.304 0.000 0.693 508 V HN 0.004 nan 8.190 nan 0.000 0.479 509 F N -0.322 119.413 119.950 -0.359 0.000 2.699 509 F HA -0.029 4.498 4.527 0.001 0.000 0.298 509 F C 2.300 178.057 175.800 -0.072 0.000 1.154 509 F CA 1.018 58.812 58.000 -0.343 0.000 1.457 509 F CB -0.020 38.602 39.000 -0.631 0.000 1.106 509 F HN 0.251 nan 8.300 nan 0.000 0.585 510 Q N -0.772 119.054 119.800 0.044 0.000 2.387 510 Q HA -0.071 4.269 4.340 0.001 0.000 0.208 510 Q C 1.935 177.977 176.000 0.070 0.000 0.935 510 Q CA 0.409 56.258 55.803 0.077 0.000 0.891 510 Q CB -0.088 28.667 28.738 0.029 0.000 1.007 510 Q HN 0.114 nan 8.270 nan 0.000 0.548 511 E N 1.389 121.609 120.200 0.034 0.000 2.070 511 E HA -0.145 4.205 4.350 0.001 0.000 0.197 511 E C 0.916 177.575 176.600 0.099 0.000 1.004 511 E CA 1.296 57.771 56.400 0.125 0.000 0.805 511 E CB 0.031 29.899 29.700 0.280 0.000 0.744 511 E HN 0.238 nan 8.360 nan 0.000 0.451 512 L N 0.635 121.886 121.223 0.047 0.000 3.017 512 L HA 0.264 4.605 4.340 0.001 0.000 0.255 512 L C -0.106 176.749 176.870 -0.026 0.000 1.247 512 L CA -0.798 54.040 54.840 -0.004 0.000 1.038 512 L CB 0.342 42.396 42.059 -0.008 0.000 1.380 512 L HN 0.124 nan 8.230 nan 0.000 0.548 513 L N 0.559 121.834 121.223 0.086 0.000 2.462 513 L HA 0.115 4.455 4.340 0.001 0.000 0.272 513 L C 0.012 176.965 176.870 0.138 0.000 1.166 513 L CA 0.377 55.338 54.840 0.201 0.000 0.880 513 L CB 0.032 42.238 42.059 0.244 0.000 1.142 513 L HN -0.040 nan 8.230 nan 0.000 0.473 514 Y N 0.000 120.472 120.300 0.287 0.000 2.660 514 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 514 Y CA 0.000 58.242 58.100 0.237 0.000 1.940 514 Y CB 0.000 38.598 38.460 0.230 0.000 1.050 514 Y HN 0.000 nan 8.280 nan 0.000 0.758