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 1gl6_1_A DATA FIRST_RESID 76 DATA SEQUENCE QGEFGGAPFK RFLRGTRIVS GGKLKRMTRE KAKQVTVAGV PMPRDAEPRH DATA SEQUENCE LLVNGATGTG KSVLLRELAY TGLLRGDRMV IVDPNGDMLS KFGRDKDIIL DATA SEQUENCE NPYDQRTKGW SFFNEIRNDY DWQRYALSVV PRGKTDEAEE WASYGRLLLR DATA SEQUENCE ETAKKLALIG TPSMRELFHW TTIATFDDLR GFLEGTLAES LFAGSNEASK DATA SEQUENCE ALTSARFVLS DKLPEHVTMP DGDFSIRSWL EDPNGGNLFI TWREDMGPAL DATA SEQUENCE RPLISAWVDV VCTSILSLPE EPKRRLWLFI DELASLEKLA SLADALTKGR DATA SEQUENCE KAGLRVVAGL QSTSQLDDVY GVKEAQTLRA SFRSLVVLGG SRTDPKTNED DATA SEQUENCE MSLSLGEHEV ERDXXXXXXX XXXXXXXALE RVRERVVMPA EIANLPDLTA DATA SEQUENCE YVGFAGNRPI AKVPLEIKQF ANRQPAFVEG T 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 76 Q HA 0.000 nan 4.340 nan 0.000 0.214 76 Q C 0.000 176.065 176.000 0.108 0.000 1.003 76 Q CA 0.000 55.884 55.803 0.135 0.000 1.022 76 Q CB 0.000 28.689 28.738 -0.082 0.000 1.108 77 G N 1.855 110.722 108.800 0.112 0.000 3.922 77 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.208 77 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.208 77 G C 0.762 175.721 174.900 0.099 0.000 1.491 77 G CA 0.350 45.496 45.100 0.077 0.000 1.017 77 G HN 0.401 nan 8.290 nan 0.000 0.603 78 E N 0.990 121.275 120.200 0.143 0.000 2.479 78 E HA 0.285 4.635 4.350 -0.000 0.000 0.193 78 E C 0.270 177.037 176.600 0.279 0.000 1.049 78 E CA -0.026 56.471 56.400 0.163 0.000 0.870 78 E CB 0.244 30.029 29.700 0.141 0.000 0.944 78 E HN 0.631 nan 8.360 nan 0.000 0.492 79 F N 1.365 121.412 119.950 0.161 0.000 2.375 79 F HA 0.603 5.130 4.527 -0.000 0.000 0.361 79 F C 1.242 177.147 175.800 0.175 0.000 1.117 79 F CA -1.058 57.072 58.000 0.217 0.000 1.037 79 F CB 1.653 40.872 39.000 0.364 0.000 1.192 79 F HN -0.107 nan 8.300 nan 0.000 0.452 80 G N 4.105 112.673 108.800 -0.387 0.000 2.462 80 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.220 80 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.220 80 G C 0.862 175.397 174.900 -0.608 0.000 1.121 80 G CA 0.575 45.438 45.100 -0.394 0.000 0.758 80 G HN 0.943 nan 8.290 nan 0.000 0.559 81 G N -0.413 107.556 108.800 -1.385 0.000 2.508 81 G HA2 0.522 4.481 3.960 -0.000 0.000 0.278 81 G HA3 0.522 4.481 3.960 -0.000 0.000 0.278 81 G C 0.270 175.013 174.900 -0.262 0.000 1.389 81 G CA 0.024 44.663 45.100 -0.768 0.000 1.050 81 G HN 0.597 nan 8.290 nan 0.000 0.522 82 A N 0.248 123.134 122.820 0.109 0.000 2.520 82 A HA 0.511 4.831 4.320 -0.000 0.000 0.245 82 A C -1.984 175.878 177.584 0.463 0.000 1.072 82 A CA -0.610 51.562 52.037 0.225 0.000 0.761 82 A CB -0.227 18.891 19.000 0.196 0.000 1.004 82 A HN 0.406 nan 8.150 nan 0.000 0.499 83 P HA 0.327 nan 4.420 nan 0.000 0.269 83 P C -0.655 176.856 177.300 0.351 0.000 1.215 83 P CA 0.327 63.625 63.100 0.329 0.000 0.780 83 P CB 0.286 32.057 31.700 0.119 0.000 0.898 84 F N -0.593 119.435 119.950 0.131 0.000 2.611 84 F HA 0.627 5.154 4.527 -0.000 0.000 0.324 84 F C 1.239 177.059 175.800 0.034 0.000 1.061 84 F CA -1.289 56.745 58.000 0.057 0.000 0.954 84 F CB 1.104 40.095 39.000 -0.015 0.000 1.301 84 F HN 0.146 nan 8.300 nan 0.000 0.482 85 K N 0.102 120.608 120.400 0.176 0.000 2.137 85 K HA 0.167 4.487 4.320 -0.000 0.000 0.202 85 K C 0.113 176.778 176.600 0.107 0.000 1.052 85 K CA 0.660 56.992 56.287 0.075 0.000 0.961 85 K CB 0.292 32.834 32.500 0.071 0.000 0.741 85 K HN 0.753 nan 8.250 nan 0.000 0.452 86 R N 0.062 120.717 120.500 0.260 0.000 2.566 86 R HA 0.108 4.448 4.340 -0.000 0.000 0.271 86 R C -1.965 174.539 176.300 0.339 0.000 1.071 86 R CA -0.621 55.633 56.100 0.256 0.000 0.915 86 R CB 0.943 31.313 30.300 0.117 0.000 1.228 86 R HN 0.004 nan 8.270 nan 0.000 0.449 87 F N 5.645 125.728 119.950 0.222 0.000 2.420 87 F HA 0.288 4.815 4.527 -0.000 0.000 0.352 87 F C 0.095 175.864 175.800 -0.052 0.000 1.108 87 F CA -0.317 57.694 58.000 0.018 0.000 1.162 87 F CB 0.813 39.891 39.000 0.130 0.000 1.118 87 F HN 0.561 nan 8.300 nan 0.000 0.510 88 L N 4.566 125.383 121.223 -0.676 0.000 2.187 88 L HA 0.285 4.625 4.340 -0.000 0.000 0.197 88 L C 0.135 176.713 176.870 -0.488 0.000 1.090 88 L CA 0.282 54.864 54.840 -0.429 0.000 0.781 88 L CB -0.105 41.746 42.059 -0.347 0.000 0.956 88 L HN 0.609 nan 8.230 nan 0.000 0.463 89 R N -1.912 118.073 120.500 -0.859 0.000 2.733 89 R HA 0.679 5.019 4.340 -0.000 0.000 0.272 89 R C -0.461 175.623 176.300 -0.359 0.000 1.029 89 R CA -0.340 55.525 56.100 -0.391 0.000 0.888 89 R CB 0.569 30.773 30.300 -0.159 0.000 1.251 89 R HN 0.152 nan 8.270 nan 0.000 0.464 90 G N -0.081 108.760 108.800 0.068 0.000 2.512 90 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.210 90 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.210 90 G C -0.899 174.203 174.900 0.337 0.000 1.295 90 G CA -0.436 44.748 45.100 0.141 0.000 0.934 90 G HN 0.708 nan 8.290 nan 0.000 0.554 91 T N 2.300 116.998 114.554 0.240 0.000 2.870 91 T HA 0.504 4.854 4.350 -0.000 0.000 0.300 91 T C 0.777 175.675 174.700 0.330 0.000 0.989 91 T CA 0.574 62.804 62.100 0.216 0.000 1.139 91 T CB 0.278 69.211 68.868 0.108 0.000 0.920 91 T HN 0.747 nan 8.240 nan 0.000 0.537 92 R N 3.065 123.657 120.500 0.153 0.000 2.514 92 R HA 0.705 5.045 4.340 -0.000 0.000 0.301 92 R C -0.969 175.370 176.300 0.065 0.000 0.962 92 R CA -0.864 55.234 56.100 -0.002 0.000 0.882 92 R CB 1.465 31.517 30.300 -0.413 0.000 1.143 92 R HN 0.573 nan 8.270 nan 0.000 0.452 93 I N 2.663 123.310 120.570 0.130 0.000 2.493 93 I HA 0.484 4.654 4.170 -0.000 0.000 0.298 93 I C -1.082 175.121 176.117 0.144 0.000 0.998 93 I CA -1.179 60.225 61.300 0.174 0.000 1.137 93 I CB 2.028 40.199 38.000 0.284 0.000 1.310 93 I HN 0.479 nan 8.210 nan 0.000 0.445 94 V N 5.380 125.367 119.914 0.123 0.000 3.130 94 V HA 0.471 4.591 4.120 -0.000 0.000 0.310 94 V C -0.172 175.976 176.094 0.090 0.000 1.158 94 V CA -0.413 61.941 62.300 0.089 0.000 1.029 94 V CB 2.753 34.609 31.823 0.055 0.000 1.057 94 V HN 0.900 nan 8.190 nan 0.000 0.436 95 S N 2.094 117.835 115.700 0.068 0.000 2.584 95 S HA 0.304 4.774 4.470 -0.000 0.000 0.270 95 S C 1.366 175.994 174.600 0.045 0.000 1.346 95 S CA 0.275 58.507 58.200 0.053 0.000 1.018 95 S CB 1.157 64.381 63.200 0.040 0.000 0.899 95 S HN 1.368 nan 8.310 nan 0.000 0.542 96 G N 1.483 110.301 108.800 0.030 0.000 2.586 96 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 96 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 96 G C 1.439 176.364 174.900 0.042 0.000 1.216 96 G CA 0.783 45.901 45.100 0.030 0.000 0.786 96 G HN 1.093 nan 8.290 nan 0.000 0.583 97 G N 0.433 109.252 108.800 0.033 0.000 2.440 97 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 97 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 97 G C 1.850 176.772 174.900 0.036 0.000 1.154 97 G CA 1.391 46.510 45.100 0.032 0.000 0.767 97 G HN 0.361 nan 8.290 nan 0.000 0.552 98 K N 0.026 120.447 120.400 0.035 0.000 2.074 98 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 98 K C 2.502 179.128 176.600 0.044 0.000 1.048 98 K CA 1.176 57.483 56.287 0.033 0.000 0.926 98 K CB -0.611 31.908 32.500 0.031 0.000 0.713 98 K HN 0.355 nan 8.250 nan 0.000 0.444 99 L N 1.682 122.942 121.223 0.062 0.000 2.027 99 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 99 L C 2.020 178.943 176.870 0.088 0.000 1.074 99 L CA 1.821 56.715 54.840 0.089 0.000 0.745 99 L CB -0.357 41.776 42.059 0.123 0.000 0.898 99 L HN 0.047 nan 8.230 nan 0.000 0.433 100 K N -0.719 119.729 120.400 0.080 0.000 2.160 100 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 100 K C 2.130 178.755 176.600 0.042 0.000 1.047 100 K CA 1.764 58.092 56.287 0.069 0.000 0.930 100 K CB -0.197 32.338 32.500 0.059 0.000 0.720 100 K HN 0.393 nan 8.250 nan 0.000 0.450 101 R N -0.025 120.495 120.500 0.034 0.000 2.127 101 R HA 0.092 4.432 4.340 -0.000 0.000 0.217 101 R C 2.300 178.608 176.300 0.014 0.000 1.074 101 R CA 0.849 56.961 56.100 0.020 0.000 0.991 101 R CB -0.091 30.219 30.300 0.017 0.000 0.895 101 R HN 0.190 nan 8.270 nan 0.000 0.450 102 M N 0.263 119.876 119.600 0.022 0.000 2.099 102 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 102 M C 2.273 178.572 176.300 -0.001 0.000 1.067 102 M CA 2.088 57.396 55.300 0.015 0.000 1.124 102 M CB -0.408 32.209 32.600 0.028 0.000 1.353 102 M HN 0.180 nan 8.290 nan 0.000 0.410 103 T N -1.779 112.774 114.554 -0.002 0.000 3.088 103 T HA 0.015 4.365 4.350 -0.000 0.000 0.259 103 T C 0.910 175.570 174.700 -0.066 0.000 1.122 103 T CA -0.175 61.888 62.100 -0.062 0.000 1.095 103 T CB -0.289 68.509 68.868 -0.116 0.000 0.930 103 T HN 0.283 nan 8.240 nan 0.000 0.508 104 R N 1.429 121.913 120.500 -0.027 0.000 2.522 104 R HA 0.215 4.555 4.340 -0.000 0.000 0.284 104 R C -0.511 175.773 176.300 -0.027 0.000 1.032 104 R CA 0.249 56.336 56.100 -0.021 0.000 1.049 104 R CB 0.293 30.590 30.300 -0.004 0.000 0.956 104 R HN 0.459 nan 8.270 nan 0.000 0.422 105 E N 2.306 122.489 120.200 -0.029 0.000 2.378 105 E HA 0.161 4.511 4.350 -0.000 0.000 0.265 105 E C 0.140 176.729 176.600 -0.018 0.000 0.932 105 E CA -0.936 55.448 56.400 -0.028 0.000 0.795 105 E CB 1.895 31.572 29.700 -0.038 0.000 1.296 105 E HN 0.583 nan 8.360 nan 0.000 0.438 106 K N 0.205 120.595 120.400 -0.016 0.000 2.009 106 K HA -0.023 4.296 4.320 -0.000 0.000 0.210 106 K C 0.969 177.562 176.600 -0.011 0.000 1.049 106 K CA 0.996 57.276 56.287 -0.012 0.000 0.929 106 K CB -0.413 32.080 32.500 -0.012 0.000 0.714 106 K HN 0.376 nan 8.250 nan 0.000 0.440 107 A N 2.202 125.014 122.820 -0.013 0.000 2.386 107 A HA 0.083 4.403 4.320 -0.000 0.000 0.246 107 A C -0.216 177.364 177.584 -0.007 0.000 1.089 107 A CA -0.253 51.778 52.037 -0.010 0.000 0.790 107 A CB 0.078 19.071 19.000 -0.012 0.000 1.042 107 A HN 0.222 nan 8.150 nan 0.000 0.497 108 K N 0.817 121.216 120.400 -0.002 0.000 2.448 108 K HA 0.205 4.525 4.320 -0.000 0.000 0.278 108 K C -0.182 176.423 176.600 0.007 0.000 1.009 108 K CA 0.563 56.850 56.287 -0.000 0.000 0.995 108 K CB 0.317 32.817 32.500 0.001 0.000 0.917 108 K HN 0.722 nan 8.250 nan 0.000 0.481 109 Q N 0.527 120.330 119.800 0.006 0.000 2.484 109 Q HA 0.434 4.774 4.340 -0.000 0.000 0.285 109 Q C -0.765 175.249 176.000 0.023 0.000 1.097 109 Q CA -1.114 54.700 55.803 0.018 0.000 0.802 109 Q CB 2.190 30.926 28.738 -0.003 0.000 1.444 109 Q HN 0.472 nan 8.270 nan 0.000 0.429 110 V N -1.955 117.991 119.914 0.053 0.000 2.837 110 V HA 0.810 4.930 4.120 -0.000 0.000 0.310 110 V C -0.134 175.995 176.094 0.058 0.000 1.059 110 V CA -0.574 61.745 62.300 0.032 0.000 1.004 110 V CB 1.380 33.220 31.823 0.029 0.000 1.045 110 V HN 0.914 nan 8.190 nan 0.000 0.465 111 T N -0.331 114.260 114.554 0.061 0.000 2.885 111 T HA 0.751 5.101 4.350 -0.000 0.000 0.285 111 T C -0.686 174.105 174.700 0.151 0.000 1.019 111 T CA -0.698 61.471 62.100 0.115 0.000 1.010 111 T CB 1.571 70.500 68.868 0.103 0.000 1.022 111 T HN 0.797 nan 8.240 nan 0.000 0.466 112 V N 2.430 122.480 119.914 0.227 0.000 2.325 112 V HA 0.646 4.766 4.120 -0.000 0.000 0.280 112 V C 0.724 176.905 176.094 0.144 0.000 1.016 112 V CA -0.218 62.206 62.300 0.207 0.000 0.818 112 V CB 0.017 32.020 31.823 0.300 0.000 1.019 112 V HN 1.591 nan 8.190 nan 0.000 0.434 113 A N 4.072 126.953 122.820 0.102 0.000 2.739 113 A HA 0.049 4.369 4.320 -0.000 0.000 0.296 113 A C 1.784 179.415 177.584 0.079 0.000 1.488 113 A CA 1.265 53.345 52.037 0.072 0.000 0.746 113 A CB -1.515 17.507 19.000 0.037 0.000 1.047 113 A HN 2.512 nan 8.150 nan 0.000 0.477 114 G N -3.474 105.384 108.800 0.097 0.000 2.267 114 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.257 114 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.257 114 G C 0.473 175.438 174.900 0.107 0.000 0.998 114 G CA 0.529 45.683 45.100 0.089 0.000 0.620 114 G HN 1.932 nan 8.290 nan 0.000 0.529 115 V N 3.657 123.663 119.914 0.153 0.000 2.406 115 V HA 0.459 4.579 4.120 -0.000 0.000 0.272 115 V C -1.443 174.781 176.094 0.216 0.000 1.043 115 V CA -1.534 60.890 62.300 0.206 0.000 0.915 115 V CB 1.468 33.481 31.823 0.317 0.000 0.988 115 V HN 0.240 nan 8.190 nan 0.000 0.466 116 P HA 0.073 nan 4.420 nan 0.000 0.267 116 P C -0.434 176.800 177.300 -0.111 0.000 1.205 116 P CA -0.163 62.955 63.100 0.029 0.000 0.765 116 P CB 0.703 32.403 31.700 0.000 0.000 0.828 117 M N 6.066 125.590 119.600 -0.126 0.000 2.146 117 M HA 0.312 4.792 4.480 -0.000 0.000 0.352 117 M C -2.375 173.708 176.300 -0.361 0.000 1.343 117 M CA -2.274 52.763 55.300 -0.439 0.000 1.115 117 M CB 0.738 33.324 32.600 -0.022 0.000 1.657 117 M HN 0.072 nan 8.290 nan 0.000 0.471 118 P HA -0.035 nan 4.420 nan 0.000 0.258 118 P C -0.032 177.174 177.300 -0.158 0.000 1.172 118 P CA 0.100 63.032 63.100 -0.279 0.000 0.762 118 P CB 0.341 31.869 31.700 -0.287 0.000 0.764 119 R N 3.520 123.961 120.500 -0.098 0.000 2.119 119 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 119 R C 1.291 177.547 176.300 -0.074 0.000 1.146 119 R CA 2.409 58.472 56.100 -0.061 0.000 0.962 119 R CB -1.176 29.096 30.300 -0.048 0.000 0.863 119 R HN 0.661 nan 8.270 nan 0.000 0.442 120 D N -0.441 119.911 120.400 -0.080 0.000 2.348 120 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 120 D C 1.356 177.603 176.300 -0.089 0.000 0.970 120 D CA 0.986 54.937 54.000 -0.082 0.000 0.889 120 D CB -0.009 40.751 40.800 -0.066 0.000 0.912 120 D HN 0.185 nan 8.370 nan 0.000 0.524 121 A N 0.204 122.977 122.820 -0.079 0.000 2.178 121 A HA 0.014 4.334 4.320 -0.000 0.000 0.211 121 A C 1.922 179.476 177.584 -0.050 0.000 1.157 121 A CA 0.213 52.225 52.037 -0.041 0.000 0.780 121 A CB -0.323 18.679 19.000 0.004 0.000 0.828 121 A HN 0.182 nan 8.150 nan 0.000 0.476 122 E N 0.433 120.582 120.200 -0.085 0.000 2.031 122 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 122 E C -0.799 175.593 176.600 -0.347 0.000 0.994 122 E CA 1.332 57.647 56.400 -0.142 0.000 0.800 122 E CB -0.671 28.944 29.700 -0.141 0.000 0.752 122 E HN 0.518 nan 8.360 nan 0.000 0.447 123 P HA 0.023 nan 4.420 nan 0.000 0.253 123 P C 0.457 177.299 177.300 -0.763 0.000 1.260 123 P CA 0.553 63.351 63.100 -0.503 0.000 0.800 123 P CB 0.343 31.850 31.700 -0.322 0.000 1.162 124 R N -0.943 119.206 120.500 -0.585 0.000 2.312 124 R HA 0.132 4.472 4.340 -0.000 0.000 0.205 124 R C 0.303 176.320 176.300 -0.472 0.000 0.904 124 R CA -0.218 55.597 56.100 -0.475 0.000 1.052 124 R CB -0.876 29.323 30.300 -0.168 0.000 1.014 124 R HN 0.355 nan 8.270 nan 0.000 0.503 125 H N -1.121 117.898 119.070 -0.085 0.000 4.796 125 H HA -0.201 4.355 4.556 -0.000 0.000 0.258 125 H C -0.810 174.644 175.328 0.210 0.000 0.528 125 H CA 0.270 56.301 56.048 -0.029 0.000 0.683 125 H CB -0.868 28.677 29.762 -0.363 0.000 0.880 125 H HN 0.093 nan 8.280 nan 0.000 0.305 126 L N 1.398 122.932 121.223 0.518 0.000 2.410 126 L HA 0.595 4.935 4.340 -0.000 0.000 0.270 126 L C -1.390 175.723 176.870 0.404 0.000 0.983 126 L CA -0.760 54.342 54.840 0.436 0.000 0.822 126 L CB 1.664 43.934 42.059 0.351 0.000 1.285 126 L HN 0.499 nan 8.230 nan 0.000 0.409 127 L N 5.728 127.055 121.223 0.174 0.000 2.325 127 L HA 0.654 4.994 4.340 -0.000 0.000 0.281 127 L C -1.201 175.644 176.870 -0.042 0.000 1.004 127 L CA -0.311 54.455 54.840 -0.124 0.000 0.823 127 L CB 1.898 43.772 42.059 -0.309 0.000 1.236 127 L HN 0.397 nan 8.230 nan 0.000 0.415 128 V N 5.594 125.486 119.914 -0.036 0.000 2.294 128 V HA 0.416 4.536 4.120 -0.000 0.000 0.272 128 V C 0.004 176.086 176.094 -0.020 0.000 1.027 128 V CA -0.664 61.636 62.300 0.000 0.000 0.823 128 V CB 0.844 32.693 31.823 0.043 0.000 1.030 128 V HN 0.777 nan 8.190 nan 0.000 0.457 129 N N 3.782 122.469 118.700 -0.022 0.000 2.419 129 N HA 0.692 5.432 4.740 -0.000 0.000 0.277 129 N C -0.221 175.291 175.510 0.003 0.000 1.006 129 N CA 0.210 53.248 53.050 -0.021 0.000 0.923 129 N CB 2.157 40.625 38.487 -0.033 0.000 1.140 129 N HN 0.826 nan 8.380 nan 0.000 0.488 130 G N 0.819 109.623 108.800 0.006 0.000 2.596 130 G HA2 0.521 4.481 3.960 -0.000 0.000 0.296 130 G HA3 0.521 4.481 3.960 -0.000 0.000 0.296 130 G C -1.247 173.663 174.900 0.015 0.000 1.513 130 G CA -0.407 44.703 45.100 0.016 0.000 0.851 130 G HN 0.680 nan 8.290 nan 0.000 0.548 131 A N 0.548 123.378 122.820 0.016 0.000 2.448 131 A HA 0.632 4.952 4.320 -0.000 0.000 0.239 131 A C 1.155 178.748 177.584 0.016 0.000 1.080 131 A CA 0.898 52.944 52.037 0.015 0.000 0.779 131 A CB 0.268 19.276 19.000 0.014 0.000 1.026 131 A HN 1.913 nan 8.150 nan 0.000 0.499 132 T N -0.099 114.464 114.554 0.015 0.000 2.902 132 T HA 0.424 4.774 4.350 -0.000 0.000 0.301 132 T C 1.343 176.050 174.700 0.012 0.000 1.012 132 T CA 1.477 63.586 62.100 0.015 0.000 1.151 132 T CB -0.275 68.602 68.868 0.015 0.000 0.946 132 T HN 2.393 nan 8.240 nan 0.000 0.542 133 G N 3.227 112.034 108.800 0.012 0.000 2.175 133 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 133 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 133 G C 0.915 175.821 174.900 0.011 0.000 0.982 133 G CA 0.932 46.038 45.100 0.009 0.000 0.641 133 G HN 1.294 nan 8.290 nan 0.000 0.527 134 T N -2.227 112.336 114.554 0.014 0.000 3.067 134 T HA 0.439 4.789 4.350 -0.000 0.000 0.261 134 T C 2.063 176.773 174.700 0.017 0.000 1.110 134 T CA 1.665 63.774 62.100 0.016 0.000 1.113 134 T CB 0.441 69.321 68.868 0.020 0.000 0.917 134 T HN 2.125 nan 8.240 nan 0.000 0.499 135 G N 1.039 109.851 108.800 0.019 0.000 2.174 135 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.140 135 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.140 135 G C 0.759 175.676 174.900 0.030 0.000 1.031 135 G CA 0.054 45.168 45.100 0.024 0.000 0.728 135 G HN 0.382 nan 8.290 nan 0.000 0.496 136 K N 0.682 121.100 120.400 0.029 0.000 2.103 136 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 136 K C 2.499 179.120 176.600 0.035 0.000 1.048 136 K CA 1.665 57.974 56.287 0.037 0.000 0.930 136 K CB -0.190 32.333 32.500 0.038 0.000 0.716 136 K HN 0.342 nan 8.250 nan 0.000 0.444 137 S N 0.965 116.679 115.700 0.023 0.000 2.345 137 S HA -0.101 4.369 4.470 -0.000 0.000 0.220 137 S C 2.211 176.821 174.600 0.017 0.000 1.031 137 S CA 1.141 59.346 58.200 0.009 0.000 0.996 137 S CB -0.277 62.923 63.200 -0.000 0.000 0.882 137 S HN 0.030 nan 8.310 nan 0.000 0.445 138 V N 2.200 122.136 119.914 0.037 0.000 2.324 138 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 138 V C 2.188 178.326 176.094 0.073 0.000 1.060 138 V CA 1.808 64.150 62.300 0.069 0.000 1.042 138 V CB -0.651 31.211 31.823 0.064 0.000 0.650 138 V HN 0.406 nan 8.190 nan 0.000 0.450 139 L N -1.121 120.135 121.223 0.055 0.000 2.023 139 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 139 L C 2.286 179.182 176.870 0.043 0.000 1.073 139 L CA 1.537 56.413 54.840 0.060 0.000 0.745 139 L CB -0.122 41.973 42.059 0.060 0.000 0.900 139 L HN 0.200 nan 8.230 nan 0.000 0.435 140 L N -0.122 121.113 121.223 0.021 0.000 2.141 140 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 140 L C 2.684 179.423 176.870 -0.220 0.000 1.094 140 L CA 1.488 56.302 54.840 -0.043 0.000 0.763 140 L CB -0.721 41.327 42.059 -0.019 0.000 0.908 140 L HN 0.221 nan 8.230 nan 0.000 0.437 141 R N -0.237 120.186 120.500 -0.127 0.000 2.066 141 R HA -0.203 4.137 4.340 -0.000 0.000 0.232 141 R C 2.306 178.521 176.300 -0.141 0.000 1.131 141 R CA 1.694 57.708 56.100 -0.145 0.000 0.955 141 R CB -0.158 30.089 30.300 -0.088 0.000 0.851 141 R HN 0.490 nan 8.270 nan 0.000 0.432 142 E N 0.469 120.693 120.200 0.041 0.000 2.110 142 E HA -0.218 4.131 4.350 -0.000 0.000 0.193 142 E C 2.053 178.679 176.600 0.044 0.000 0.988 142 E CA 0.985 57.493 56.400 0.180 0.000 0.804 142 E CB -0.138 29.682 29.700 0.199 0.000 0.745 142 E HN 0.406 nan 8.360 nan 0.000 0.458 143 L N 0.319 121.507 121.223 -0.059 0.000 2.083 143 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 143 L C 2.553 179.227 176.870 -0.327 0.000 1.083 143 L CA 1.251 56.011 54.840 -0.133 0.000 0.752 143 L CB -0.361 41.682 42.059 -0.027 0.000 0.899 143 L HN 0.287 nan 8.230 nan 0.000 0.433 144 A N -0.944 121.578 122.820 -0.496 0.000 1.898 144 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 144 A C 2.094 179.274 177.584 -0.673 0.000 1.181 144 A CA 1.612 53.214 52.037 -0.725 0.000 0.620 144 A CB -0.952 17.421 19.000 -1.046 0.000 0.819 144 A HN 0.547 nan 8.150 nan 0.000 0.442 145 Y N 1.932 121.762 120.300 -0.783 0.000 2.070 145 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 145 Y C 2.918 178.701 175.900 -0.194 0.000 1.148 145 Y CA 2.699 60.510 58.100 -0.481 0.000 1.125 145 Y CB -1.056 37.402 38.460 -0.003 0.000 0.975 145 Y HN 0.428 nan 8.280 nan 0.000 0.492 146 T N -2.404 111.965 114.554 -0.308 0.000 2.929 146 T HA -0.068 4.282 4.350 -0.000 0.000 0.271 146 T C 2.132 176.676 174.700 -0.260 0.000 1.085 146 T CA 1.195 63.102 62.100 -0.322 0.000 1.125 146 T CB -1.182 67.615 68.868 -0.119 0.000 0.874 146 T HN 0.420 nan 8.240 nan 0.000 0.494 147 G N 1.210 109.832 108.800 -0.297 0.000 2.408 147 G HA2 0.094 4.054 3.960 -0.000 0.000 0.215 147 G HA3 0.094 4.054 3.960 -0.000 0.000 0.215 147 G C 1.508 176.323 174.900 -0.142 0.000 1.156 147 G CA 0.373 45.330 45.100 -0.238 0.000 0.793 147 G HN 0.515 nan 8.290 nan 0.000 0.535 148 L N 0.078 121.177 121.223 -0.207 0.000 2.056 148 L HA 0.052 4.392 4.340 -0.000 0.000 0.207 148 L C 2.797 179.608 176.870 -0.098 0.000 1.078 148 L CA 0.475 55.247 54.840 -0.113 0.000 0.749 148 L CB -0.369 41.625 42.059 -0.109 0.000 0.901 148 L HN 0.164 nan 8.230 nan 0.000 0.433 149 L N -0.453 120.645 121.223 -0.208 0.000 2.191 149 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 149 L C 2.584 179.400 176.870 -0.089 0.000 1.103 149 L CA 1.060 55.793 54.840 -0.177 0.000 0.769 149 L CB -0.433 41.435 42.059 -0.318 0.000 0.908 149 L HN 0.257 nan 8.230 nan 0.000 0.438 150 R N 0.045 120.503 120.500 -0.070 0.000 2.300 150 R HA 0.050 4.390 4.340 -0.000 0.000 0.199 150 R C 1.132 177.439 176.300 0.012 0.000 0.920 150 R CA 0.642 56.732 56.100 -0.017 0.000 1.046 150 R CB 0.283 30.589 30.300 0.009 0.000 0.984 150 R HN 0.346 nan 8.270 nan 0.000 0.493 151 G N 1.445 110.252 108.800 0.012 0.000 2.137 151 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 151 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 151 G C -0.675 174.263 174.900 0.063 0.000 1.002 151 G CA 0.228 45.349 45.100 0.034 0.000 0.702 151 G HN 0.383 nan 8.290 nan 0.000 0.515 152 D N -0.054 120.409 120.400 0.103 0.000 2.344 152 D HA 0.478 5.118 4.640 -0.000 0.000 0.244 152 D C 1.172 177.577 176.300 0.175 0.000 1.134 152 D CA 0.039 54.147 54.000 0.181 0.000 0.930 152 D CB 0.698 41.737 40.800 0.399 0.000 1.175 152 D HN 0.420 nan 8.370 nan 0.000 0.437 153 R N 0.200 120.801 120.500 0.168 0.000 2.607 153 R HA 0.767 5.107 4.340 -0.000 0.000 0.261 153 R C 0.106 176.563 176.300 0.262 0.000 1.051 153 R CA -0.690 55.498 56.100 0.147 0.000 1.110 153 R CB 1.185 31.489 30.300 0.007 0.000 1.158 153 R HN 0.509 nan 8.270 nan 0.000 0.543 154 M N -1.806 117.960 119.600 0.277 0.000 2.694 154 M HA 0.355 4.835 4.480 -0.000 0.000 0.276 154 M C -1.682 174.792 176.300 0.292 0.000 1.167 154 M CA -1.109 54.389 55.300 0.331 0.000 0.849 154 M CB 1.705 34.538 32.600 0.387 0.000 1.705 154 M HN 0.202 nan 8.290 nan 0.000 0.504 155 V N 2.683 122.760 119.914 0.272 0.000 2.448 155 V HA 0.618 4.738 4.120 -0.000 0.000 0.295 155 V C -0.624 175.562 176.094 0.153 0.000 1.025 155 V CA -0.415 61.972 62.300 0.145 0.000 0.859 155 V CB 1.850 33.777 31.823 0.175 0.000 0.988 155 V HN 0.722 nan 8.190 nan 0.000 0.431 156 I N 4.885 125.452 120.570 -0.005 0.000 2.411 156 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 156 I C -0.309 175.899 176.117 0.152 0.000 1.012 156 I CA -0.809 60.542 61.300 0.085 0.000 1.119 156 I CB 2.111 40.025 38.000 -0.143 0.000 1.261 156 I HN 0.263 nan 8.210 nan 0.000 0.448 157 V N 5.052 125.119 119.914 0.256 0.000 2.381 157 V HA 0.022 4.141 4.120 -0.000 0.000 0.257 157 V C -0.151 176.148 176.094 0.340 0.000 1.057 157 V CA 0.299 62.820 62.300 0.368 0.000 1.013 157 V CB 0.401 32.444 31.823 0.366 0.000 1.069 157 V HN 0.636 nan 8.190 nan 0.000 0.484 158 D N 7.421 127.991 120.400 0.284 0.000 2.453 158 D HA 0.406 5.045 4.640 -0.000 0.000 0.238 158 D C -2.783 173.302 176.300 -0.359 0.000 1.088 158 D CA -2.115 51.911 54.000 0.044 0.000 0.854 158 D CB 2.083 42.972 40.800 0.149 0.000 1.076 158 D HN 0.240 nan 8.370 nan 0.000 0.533 159 P HA 0.192 nan 4.420 nan 0.000 0.271 159 P C -0.293 176.615 177.300 -0.653 0.000 1.220 159 P CA -0.143 62.249 63.100 -1.180 0.000 0.768 159 P CB 0.475 31.758 31.700 -0.696 0.000 0.848 160 N N 2.567 120.856 118.700 -0.685 0.000 2.741 160 N HA -0.196 4.544 4.740 -0.000 0.000 0.251 160 N C 0.829 176.203 175.510 -0.228 0.000 1.112 160 N CA 1.517 54.339 53.050 -0.380 0.000 0.750 160 N CB -1.788 36.528 38.487 -0.286 0.000 1.119 160 N HN 0.869 nan 8.380 nan 0.000 0.561 161 G N 0.560 109.240 108.800 -0.200 0.000 2.321 161 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.287 161 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.287 161 G C 0.689 175.535 174.900 -0.091 0.000 1.018 161 G CA 1.430 46.479 45.100 -0.085 0.000 0.855 161 G HN 0.670 nan 8.290 nan 0.000 0.507 162 D N -0.387 119.947 120.400 -0.110 0.000 2.078 162 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 162 D C 2.585 178.826 176.300 -0.098 0.000 0.990 162 D CA 1.654 55.589 54.000 -0.109 0.000 0.827 162 D CB -0.108 40.626 40.800 -0.110 0.000 0.975 162 D HN 0.281 nan 8.370 nan 0.000 0.451 163 M N -0.112 119.489 119.600 0.001 0.000 2.149 163 M HA -0.086 4.394 4.480 -0.000 0.000 0.261 163 M C 2.305 178.719 176.300 0.190 0.000 1.064 163 M CA 0.775 56.167 55.300 0.155 0.000 1.102 163 M CB -1.032 31.735 32.600 0.278 0.000 1.369 163 M HN 0.265 nan 8.290 nan 0.000 0.408 164 L N 0.770 122.014 121.223 0.036 0.000 2.046 164 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 164 L C 2.600 179.248 176.870 -0.370 0.000 1.077 164 L CA 2.297 56.839 54.840 -0.496 0.000 0.747 164 L CB -0.796 40.993 42.059 -0.450 0.000 0.896 164 L HN 0.411 nan 8.230 nan 0.000 0.432 165 S N -1.747 113.810 115.700 -0.238 0.000 2.474 165 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 165 S C 1.791 176.236 174.600 -0.259 0.000 0.997 165 S CA 0.582 58.655 58.200 -0.211 0.000 0.949 165 S CB -0.382 62.725 63.200 -0.154 0.000 0.766 165 S HN 0.463 nan 8.310 nan 0.000 0.517 166 K N 0.037 120.198 120.400 -0.399 0.000 2.276 166 K HA 0.293 4.612 4.320 -0.000 0.000 0.198 166 K C 0.437 176.597 176.600 -0.733 0.000 1.052 166 K CA 0.556 56.438 56.287 -0.675 0.000 0.984 166 K CB -0.148 31.644 32.500 -1.180 0.000 0.836 166 K HN 0.556 nan 8.250 nan 0.000 0.490 167 F N 0.346 120.284 119.950 -0.020 0.000 2.746 167 F HA 0.303 4.830 4.527 -0.000 0.000 0.320 167 F C 1.155 177.010 175.800 0.090 0.000 1.097 167 F CA -0.953 57.098 58.000 0.084 0.000 1.195 167 F CB -0.068 39.027 39.000 0.159 0.000 1.056 167 F HN -0.191 nan 8.300 nan 0.000 0.562 168 G N 1.774 110.542 108.800 -0.053 0.000 2.343 168 G HA2 0.430 4.390 3.960 -0.000 0.000 0.254 168 G HA3 0.430 4.390 3.960 -0.000 0.000 0.254 168 G C 0.137 175.010 174.900 -0.045 0.000 1.277 168 G CA -0.284 44.661 45.100 -0.259 0.000 0.909 168 G HN 0.141 nan 8.290 nan 0.000 0.502 169 R N 1.122 121.657 120.500 0.058 0.000 2.705 169 R HA 0.286 4.626 4.340 -0.000 0.000 0.246 169 R C 0.517 176.841 176.300 0.040 0.000 1.142 169 R CA -0.932 55.210 56.100 0.069 0.000 1.114 169 R CB 1.107 31.480 30.300 0.123 0.000 1.256 169 R HN 0.481 nan 8.270 nan 0.000 0.536 170 D N 1.125 121.551 120.400 0.044 0.000 2.224 170 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 170 D C 1.025 177.361 176.300 0.059 0.000 0.965 170 D CA 1.292 55.312 54.000 0.033 0.000 0.852 170 D CB 0.273 41.090 40.800 0.028 0.000 0.947 170 D HN 0.444 nan 8.370 nan 0.000 0.494 171 K N 0.745 121.201 120.400 0.093 0.000 2.444 171 K HA 0.048 4.368 4.320 -0.000 0.000 0.193 171 K C 0.098 176.806 176.600 0.181 0.000 1.024 171 K CA 0.016 56.379 56.287 0.125 0.000 1.077 171 K CB 0.377 32.954 32.500 0.127 0.000 0.833 171 K HN -0.151 nan 8.250 nan 0.000 0.517 172 D N 1.684 122.192 120.400 0.181 0.000 2.341 172 D HA 0.153 4.793 4.640 -0.000 0.000 0.245 172 D C 0.266 176.665 176.300 0.165 0.000 1.106 172 D CA -0.270 53.888 54.000 0.263 0.000 0.905 172 D CB 0.943 41.954 40.800 0.351 0.000 1.202 172 D HN -0.032 nan 8.370 nan 0.000 0.426 173 I N 1.671 122.333 120.570 0.153 0.000 2.532 173 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 173 I C 0.539 176.581 176.117 -0.125 0.000 1.014 173 I CA -0.350 60.881 61.300 -0.115 0.000 1.340 173 I CB 0.671 38.410 38.000 -0.435 0.000 1.422 173 I HN 0.183 nan 8.210 nan 0.000 0.528 174 I N 5.928 126.343 120.570 -0.259 0.000 2.499 174 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 174 I C -0.825 175.078 176.117 -0.357 0.000 1.048 174 I CA -0.456 60.722 61.300 -0.202 0.000 1.062 174 I CB 2.310 40.239 38.000 -0.118 0.000 1.238 174 I HN 0.231 nan 8.210 nan 0.000 0.426 175 L N 6.583 127.566 121.223 -0.399 0.000 2.316 175 L HA 0.553 4.893 4.340 -0.000 0.000 0.280 175 L C -0.671 176.068 176.870 -0.217 0.000 1.006 175 L CA -0.343 54.114 54.840 -0.639 0.000 0.836 175 L CB 1.264 42.471 42.059 -1.420 0.000 1.221 175 L HN 0.554 nan 8.230 nan 0.000 0.418 176 N N 5.299 124.011 118.700 0.019 0.000 3.127 176 N HA 0.139 4.879 4.740 -0.000 0.000 0.239 176 N C -2.389 173.254 175.510 0.221 0.000 1.200 176 N CA -0.958 52.257 53.050 0.275 0.000 0.924 176 N CB 2.354 41.014 38.487 0.288 0.000 1.583 176 N HN 0.100 nan 8.380 nan 0.000 0.645 177 P HA -0.091 nan 4.420 nan 0.000 0.223 177 P C 0.164 177.222 177.300 -0.402 0.000 1.144 177 P CA 1.245 64.281 63.100 -0.106 0.000 0.783 177 P CB 0.062 31.637 31.700 -0.207 0.000 0.771 178 Y N -1.226 119.213 120.300 0.232 0.000 2.584 178 Y HA 0.308 4.858 4.550 -0.000 0.000 0.254 178 Y C 0.770 176.848 175.900 0.296 0.000 1.177 178 Y CA -0.708 57.552 58.100 0.267 0.000 1.216 178 Y CB 0.188 38.845 38.460 0.328 0.000 1.172 178 Y HN -0.084 nan 8.280 nan 0.000 0.529 179 D N 0.539 121.098 120.400 0.265 0.000 2.256 179 D HA 0.058 4.698 4.640 -0.000 0.000 0.240 179 D C 0.911 177.186 176.300 -0.043 0.000 1.062 179 D CA -0.103 53.941 54.000 0.073 0.000 0.832 179 D CB 1.902 42.799 40.800 0.162 0.000 1.135 179 D HN 0.081 nan 8.370 nan 0.000 0.484 180 Q N 3.366 123.085 119.800 -0.134 0.000 2.133 180 Q HA -0.196 4.144 4.340 -0.000 0.000 0.208 180 Q C 1.365 177.320 176.000 -0.075 0.000 0.991 180 Q CA 1.828 57.571 55.803 -0.100 0.000 0.867 180 Q CB 0.120 28.782 28.738 -0.128 0.000 0.911 180 Q HN 0.453 nan 8.270 nan 0.000 0.417 181 R N -0.406 120.044 120.500 -0.084 0.000 2.313 181 R HA 0.087 4.427 4.340 -0.000 0.000 0.199 181 R C 0.581 176.831 176.300 -0.082 0.000 0.958 181 R CA 0.524 56.579 56.100 -0.075 0.000 1.047 181 R CB -0.215 30.035 30.300 -0.083 0.000 0.955 181 R HN 0.092 nan 8.270 nan 0.000 0.481 182 T N 1.029 115.539 114.554 -0.072 0.000 2.900 182 T HA 0.050 4.400 4.350 -0.000 0.000 0.307 182 T C 0.279 174.904 174.700 -0.124 0.000 1.065 182 T CA -0.269 61.765 62.100 -0.109 0.000 1.105 182 T CB 0.544 69.377 68.868 -0.058 0.000 0.979 182 T HN -0.082 nan 8.240 nan 0.000 0.544 183 K N 2.065 122.328 120.400 -0.228 0.000 2.102 183 K HA 0.434 4.754 4.320 -0.000 0.000 0.244 183 K C 0.545 177.129 176.600 -0.026 0.000 1.021 183 K CA -0.478 55.695 56.287 -0.190 0.000 0.913 183 K CB 0.567 32.756 32.500 -0.519 0.000 1.062 183 K HN 0.760 nan 8.250 nan 0.000 0.485 184 G N 0.218 109.078 108.800 0.100 0.000 2.338 184 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 184 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 184 G C -1.486 173.630 174.900 0.360 0.000 1.140 184 G CA -0.387 44.824 45.100 0.185 0.000 0.860 184 G HN 0.565 nan 8.290 nan 0.000 0.470 185 W N 1.766 123.168 121.300 0.169 0.000 3.118 185 W HA 0.643 5.303 4.660 -0.000 0.000 0.328 185 W C -0.664 176.027 176.519 0.286 0.000 1.239 185 W CA -0.795 56.703 57.345 0.256 0.000 1.176 185 W CB 2.243 31.891 29.460 0.313 0.000 1.433 185 W HN 0.799 nan 8.180 nan 0.000 0.562 186 S N 3.583 118.775 115.700 -0.847 0.000 2.537 186 S HA 0.275 4.745 4.470 -0.000 0.000 0.271 186 S C 0.091 173.722 174.600 -1.615 0.000 1.148 186 S CA -0.384 57.292 58.200 -0.872 0.000 0.868 186 S CB 0.239 63.312 63.200 -0.211 0.000 1.115 186 S HN 0.935 nan 8.310 nan 0.000 0.461 187 F N 2.817 122.014 119.950 -1.256 0.000 2.408 187 F HA 0.200 4.727 4.527 -0.000 0.000 0.300 187 F C 1.201 176.729 175.800 -0.453 0.000 1.090 187 F CA 0.595 58.175 58.000 -0.702 0.000 1.427 187 F CB -0.727 38.164 39.000 -0.183 0.000 1.070 187 F HN 0.541 nan 8.300 nan 0.000 0.549 188 F N 1.706 120.994 119.950 -1.104 0.000 2.126 188 F HA -0.232 4.294 4.527 -0.000 0.000 0.299 188 F C 1.916 177.389 175.800 -0.545 0.000 1.096 188 F CA 1.469 58.969 58.000 -0.832 0.000 1.255 188 F CB -0.715 37.950 39.000 -0.558 0.000 0.997 188 F HN 0.012 nan 8.300 nan 0.000 0.479 189 N N 0.150 118.671 118.700 -0.298 0.000 2.588 189 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 189 N C 1.170 176.557 175.510 -0.205 0.000 1.094 189 N CA 0.946 53.865 53.050 -0.217 0.000 0.921 189 N CB -0.356 38.016 38.487 -0.191 0.000 0.959 189 N HN 0.399 nan 8.380 nan 0.000 0.448 190 E N -0.274 119.737 120.200 -0.315 0.000 2.473 190 E HA 0.116 4.466 4.350 -0.000 0.000 0.204 190 E C 0.226 176.514 176.600 -0.520 0.000 0.994 190 E CA -0.137 56.007 56.400 -0.427 0.000 0.945 190 E CB 0.679 29.937 29.700 -0.737 0.000 0.990 190 E HN 0.213 nan 8.360 nan 0.000 0.493 191 I N 1.735 122.006 120.570 -0.499 0.000 2.517 191 I HA 0.082 4.252 4.170 -0.000 0.000 0.285 191 I C 1.262 177.160 176.117 -0.365 0.000 1.106 191 I CA 0.500 61.476 61.300 -0.540 0.000 1.402 191 I CB 0.633 38.097 38.000 -0.893 0.000 1.399 191 I HN -0.050 nan 8.210 nan 0.000 0.535 192 R N 3.336 123.649 120.500 -0.312 0.000 2.492 192 R HA 0.252 4.592 4.340 -0.000 0.000 0.219 192 R C 0.152 176.336 176.300 -0.194 0.000 0.886 192 R CA 0.099 56.077 56.100 -0.203 0.000 1.003 192 R CB 0.649 30.870 30.300 -0.131 0.000 1.345 192 R HN 0.620 nan 8.270 nan 0.000 0.631 193 N N -0.594 117.924 118.700 -0.303 0.000 2.761 193 N HA 0.042 4.782 4.740 -0.000 0.000 0.283 193 N C -0.411 174.946 175.510 -0.255 0.000 1.377 193 N CA -0.405 52.500 53.050 -0.243 0.000 0.791 193 N CB 1.498 39.815 38.487 -0.285 0.000 1.540 193 N HN -0.180 nan 8.380 nan 0.000 0.539 194 D N -0.187 120.195 120.400 -0.030 0.000 2.123 194 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 194 D C 1.696 178.092 176.300 0.160 0.000 0.976 194 D CA 1.380 55.473 54.000 0.154 0.000 0.831 194 D CB -0.053 40.885 40.800 0.230 0.000 0.974 194 D HN 0.637 nan 8.370 nan 0.000 0.469 195 Y N -0.407 119.962 120.300 0.114 0.000 2.651 195 Y HA 0.043 4.593 4.550 -0.000 0.000 0.296 195 Y C 1.010 176.963 175.900 0.088 0.000 1.150 195 Y CA 0.669 58.830 58.100 0.102 0.000 1.348 195 Y CB -0.540 37.956 38.460 0.059 0.000 0.983 195 Y HN -0.136 nan 8.280 nan 0.000 0.555 196 D N -0.283 119.885 120.400 -0.387 0.000 2.347 196 D HA -0.090 4.550 4.640 -0.000 0.000 0.215 196 D C 1.253 177.594 176.300 0.067 0.000 0.976 196 D CA 0.755 54.633 54.000 -0.204 0.000 0.884 196 D CB -0.464 40.177 40.800 -0.265 0.000 0.915 196 D HN 0.570 nan 8.370 nan 0.000 0.526 197 W N 1.059 122.447 121.300 0.148 0.000 2.378 197 W HA -0.158 4.502 4.660 -0.000 0.000 0.313 197 W C 2.637 179.247 176.519 0.152 0.000 1.197 197 W CA 0.399 57.857 57.345 0.188 0.000 1.304 197 W CB -0.218 29.323 29.460 0.134 0.000 1.148 197 W HN -0.060 nan 8.180 nan 0.000 0.494 198 Q N 1.200 121.208 119.800 0.346 0.000 2.119 198 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 198 Q C 2.164 178.228 176.000 0.108 0.000 0.972 198 Q CA 1.793 57.713 55.803 0.195 0.000 0.847 198 Q CB -0.546 28.283 28.738 0.151 0.000 0.903 198 Q HN 0.187 nan 8.270 nan 0.000 0.433 199 R N -1.074 119.468 120.500 0.069 0.000 2.113 199 R HA -0.222 4.118 4.340 -0.000 0.000 0.244 199 R C 1.425 177.559 176.300 -0.277 0.000 1.142 199 R CA 2.089 58.111 56.100 -0.130 0.000 0.953 199 R CB -0.411 29.746 30.300 -0.239 0.000 0.860 199 R HN 0.460 nan 8.270 nan 0.000 0.438 200 Y N -0.942 119.426 120.300 0.115 0.000 2.482 200 Y HA 0.227 4.777 4.550 -0.000 0.000 0.270 200 Y C 2.040 177.927 175.900 -0.020 0.000 1.152 200 Y CA 0.292 58.459 58.100 0.111 0.000 1.292 200 Y CB 0.311 38.902 38.460 0.218 0.000 1.070 200 Y HN 0.231 nan 8.280 nan 0.000 0.528 201 A N -0.304 122.559 122.820 0.072 0.000 1.970 201 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 201 A C 1.916 179.476 177.584 -0.041 0.000 1.170 201 A CA 0.956 52.959 52.037 -0.057 0.000 0.645 201 A CB -0.546 18.469 19.000 0.026 0.000 0.816 201 A HN 0.323 nan 8.150 nan 0.000 0.447 202 L N 0.128 121.347 121.223 -0.007 0.000 2.131 202 L HA -0.065 4.274 4.340 -0.000 0.000 0.210 202 L C 2.494 179.362 176.870 -0.003 0.000 1.092 202 L CA 2.023 56.856 54.840 -0.012 0.000 0.759 202 L CB -0.877 41.170 42.059 -0.020 0.000 0.903 202 L HN 0.344 nan 8.230 nan 0.000 0.435 203 S N -1.719 113.997 115.700 0.027 0.000 2.406 203 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 203 S C 2.005 176.643 174.600 0.064 0.000 1.030 203 S CA 0.748 58.998 58.200 0.082 0.000 0.958 203 S CB 0.032 63.357 63.200 0.209 0.000 0.811 203 S HN 0.215 nan 8.310 nan 0.000 0.489 204 V N 1.449 121.356 119.914 -0.012 0.000 2.358 204 V HA 0.007 4.127 4.120 -0.000 0.000 0.246 204 V C 0.794 176.842 176.094 -0.077 0.000 1.047 204 V CA 1.005 63.238 62.300 -0.112 0.000 1.035 204 V CB -0.355 31.199 31.823 -0.448 0.000 0.658 204 V HN 0.281 nan 8.190 nan 0.000 0.452 205 V N 3.357 123.229 119.914 -0.070 0.000 2.239 205 V HA 0.302 4.422 4.120 -0.000 0.000 0.267 205 V C -2.026 174.055 176.094 -0.022 0.000 1.056 205 V CA -1.763 60.517 62.300 -0.033 0.000 0.830 205 V CB 0.608 32.416 31.823 -0.026 0.000 1.090 205 V HN 0.325 nan 8.190 nan 0.000 0.459 206 P HA 0.065 nan 4.420 nan 0.000 0.272 206 P C -0.115 177.151 177.300 -0.056 0.000 1.248 206 P CA -0.357 62.720 63.100 -0.039 0.000 0.799 206 P CB 0.743 32.413 31.700 -0.051 0.000 0.997 207 R N -0.189 120.259 120.500 -0.086 0.000 2.623 207 R HA 0.230 4.570 4.340 -0.000 0.000 0.271 207 R C 1.003 177.234 176.300 -0.116 0.000 1.043 207 R CA 0.223 56.262 56.100 -0.102 0.000 1.083 207 R CB -0.724 29.503 30.300 -0.122 0.000 0.974 207 R HN 0.619 nan 8.270 nan 0.000 0.436 208 G N 1.451 110.185 108.800 -0.110 0.000 2.441 208 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.243 208 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.243 208 G C 0.899 175.717 174.900 -0.136 0.000 1.281 208 G CA -0.375 44.655 45.100 -0.118 0.000 0.854 208 G HN 0.653 nan 8.290 nan 0.000 0.560 209 K N 0.365 120.693 120.400 -0.120 0.000 2.103 209 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 209 K C 1.409 177.941 176.600 -0.113 0.000 1.048 209 K CA 1.635 57.854 56.287 -0.113 0.000 0.930 209 K CB -0.127 32.326 32.500 -0.078 0.000 0.716 209 K HN 0.646 nan 8.250 nan 0.000 0.444 210 T N -2.417 112.049 114.554 -0.145 0.000 2.950 210 T HA 0.183 4.533 4.350 -0.000 0.000 0.288 210 T C 0.500 175.076 174.700 -0.206 0.000 1.035 210 T CA -0.965 61.040 62.100 -0.159 0.000 1.028 210 T CB 1.523 70.286 68.868 -0.175 0.000 1.109 210 T HN -0.065 nan 8.240 nan 0.000 0.514 211 D N 0.200 120.491 120.400 -0.181 0.000 2.123 211 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 211 D C 1.690 177.816 176.300 -0.290 0.000 0.992 211 D CA 1.463 55.350 54.000 -0.188 0.000 0.833 211 D CB 0.055 40.773 40.800 -0.135 0.000 0.954 211 D HN 0.856 nan 8.370 nan 0.000 0.455 212 E N 0.534 120.512 120.200 -0.369 0.000 2.072 212 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 212 E C 2.020 177.958 176.600 -1.102 0.000 0.985 212 E CA 0.898 56.935 56.400 -0.605 0.000 0.801 212 E CB 0.034 29.419 29.700 -0.524 0.000 0.750 212 E HN 0.133 nan 8.360 nan 0.000 0.452 213 A N 0.941 123.198 122.820 -0.937 0.000 2.019 213 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 213 A C 1.979 179.316 177.584 -0.412 0.000 1.164 213 A CA 1.756 53.305 52.037 -0.812 0.000 0.644 213 A CB -0.480 18.311 19.000 -0.348 0.000 0.805 213 A HN 0.321 nan 8.150 nan 0.000 0.449 214 E N 0.443 120.434 120.200 -0.347 0.000 2.152 214 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 214 E C 1.874 178.321 176.600 -0.254 0.000 0.983 214 E CA 1.531 57.797 56.400 -0.224 0.000 0.818 214 E CB -0.311 29.277 29.700 -0.187 0.000 0.758 214 E HN 0.708 nan 8.360 nan 0.000 0.467 215 E N -0.645 119.335 120.200 -0.367 0.000 2.051 215 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 215 E C 1.463 177.836 176.600 -0.378 0.000 0.991 215 E CA 1.448 57.607 56.400 -0.402 0.000 0.799 215 E CB -0.250 29.251 29.700 -0.332 0.000 0.748 215 E HN 0.392 nan 8.360 nan 0.000 0.449 216 W N 0.399 121.619 121.300 -0.133 0.000 2.363 216 W HA -0.003 4.657 4.660 -0.000 0.000 0.296 216 W C 2.422 178.938 176.519 -0.005 0.000 1.212 216 W CA 0.803 58.162 57.345 0.023 0.000 1.260 216 W CB -1.248 28.269 29.460 0.096 0.000 1.131 216 W HN 0.226 nan 8.180 nan 0.000 0.530 217 A N 1.054 123.959 122.820 0.142 0.000 1.902 217 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 217 A C 2.282 179.882 177.584 0.027 0.000 1.181 217 A CA 3.015 55.099 52.037 0.078 0.000 0.623 217 A CB -1.233 17.773 19.000 0.009 0.000 0.818 217 A HN 0.268 nan 8.150 nan 0.000 0.443 218 S N -1.066 114.581 115.700 -0.088 0.000 2.382 218 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 218 S C 1.908 176.522 174.600 0.024 0.000 1.027 218 S CA 1.494 59.636 58.200 -0.097 0.000 0.991 218 S CB -0.966 62.108 63.200 -0.211 0.000 0.823 218 S HN 0.663 nan 8.310 nan 0.000 0.469 219 Y N 1.984 122.398 120.300 0.189 0.000 2.242 219 Y HA 0.079 4.629 4.550 -0.000 0.000 0.291 219 Y C 3.060 179.120 175.900 0.266 0.000 1.137 219 Y CA 0.234 58.510 58.100 0.292 0.000 1.181 219 Y CB -0.829 37.840 38.460 0.348 0.000 0.989 219 Y HN 0.452 nan 8.280 nan 0.000 0.527 220 G N 0.482 109.462 108.800 0.300 0.000 2.440 220 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 220 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 220 G C 1.659 176.642 174.900 0.138 0.000 1.154 220 G CA 0.757 45.969 45.100 0.186 0.000 0.767 220 G HN 0.306 nan 8.290 nan 0.000 0.552 221 R N -0.572 119.995 120.500 0.112 0.000 2.092 221 R HA 0.059 4.399 4.340 -0.000 0.000 0.231 221 R C 2.455 178.814 176.300 0.098 0.000 1.119 221 R CA 0.913 57.055 56.100 0.070 0.000 0.970 221 R CB -0.609 29.718 30.300 0.045 0.000 0.864 221 R HN 0.371 nan 8.270 nan 0.000 0.440 222 L N 1.363 122.673 121.223 0.146 0.000 1.989 222 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 222 L C 2.144 179.101 176.870 0.145 0.000 1.071 222 L CA 1.575 56.484 54.840 0.114 0.000 0.749 222 L CB -0.675 41.444 42.059 0.099 0.000 0.890 222 L HN 0.110 nan 8.230 nan 0.000 0.431 223 L N -1.139 120.260 121.223 0.293 0.000 2.046 223 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 223 L C 2.311 179.257 176.870 0.128 0.000 1.077 223 L CA 1.871 56.874 54.840 0.273 0.000 0.747 223 L CB -0.779 41.407 42.059 0.212 0.000 0.896 223 L HN 0.427 nan 8.230 nan 0.000 0.432 224 L N 0.140 121.420 121.223 0.095 0.000 1.976 224 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 224 L C 2.863 179.769 176.870 0.060 0.000 1.071 224 L CA 2.310 57.184 54.840 0.058 0.000 0.746 224 L CB -0.843 41.207 42.059 -0.014 0.000 0.890 224 L HN 0.498 nan 8.230 nan 0.000 0.432 225 R N -0.990 119.541 120.500 0.051 0.000 2.083 225 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 225 R C 1.866 178.057 176.300 -0.182 0.000 1.137 225 R CA 1.666 57.778 56.100 0.020 0.000 0.951 225 R CB -0.975 29.381 30.300 0.093 0.000 0.851 225 R HN 0.330 nan 8.270 nan 0.000 0.434 226 E N 0.467 120.595 120.200 -0.120 0.000 2.106 226 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 226 E C 2.031 178.530 176.600 -0.169 0.000 0.984 226 E CA 1.749 58.040 56.400 -0.181 0.000 0.806 226 E CB -0.285 29.338 29.700 -0.129 0.000 0.750 226 E HN 0.477 nan 8.360 nan 0.000 0.458 227 T N 0.877 115.407 114.554 -0.040 0.000 2.851 227 T HA -0.002 4.348 4.350 -0.000 0.000 0.262 227 T C 1.892 176.678 174.700 0.143 0.000 1.043 227 T CA 1.259 63.419 62.100 0.100 0.000 1.140 227 T CB -0.112 68.871 68.868 0.192 0.000 0.872 227 T HN 0.241 nan 8.240 nan 0.000 0.446 228 A N 1.174 124.043 122.820 0.081 0.000 2.066 228 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 228 A C 2.192 179.683 177.584 -0.155 0.000 1.157 228 A CA 1.233 53.370 52.037 0.168 0.000 0.670 228 A CB -0.375 18.753 19.000 0.213 0.000 0.804 228 A HN 0.391 nan 8.150 nan 0.000 0.453 229 K N -0.037 119.991 120.400 -0.620 0.000 2.031 229 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 229 K C 2.149 178.568 176.600 -0.301 0.000 1.049 229 K CA 1.500 57.217 56.287 -0.950 0.000 0.939 229 K CB -0.153 31.748 32.500 -0.998 0.000 0.717 229 K HN 0.421 nan 8.250 nan 0.000 0.438 230 K N 0.895 121.174 120.400 -0.202 0.000 2.026 230 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 230 K C 2.130 178.764 176.600 0.057 0.000 1.048 230 K CA 1.112 57.319 56.287 -0.134 0.000 0.929 230 K CB -0.093 32.194 32.500 -0.354 0.000 0.713 230 K HN 0.103 nan 8.250 nan 0.000 0.439 231 L N 0.488 121.843 121.223 0.220 0.000 2.081 231 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 231 L C 2.576 179.511 176.870 0.107 0.000 1.080 231 L CA 1.311 56.309 54.840 0.263 0.000 0.754 231 L CB -0.541 41.723 42.059 0.342 0.000 0.893 231 L HN 0.355 nan 8.230 nan 0.000 0.433 232 A N -0.264 122.632 122.820 0.127 0.000 1.897 232 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 232 A C 2.257 179.886 177.584 0.075 0.000 1.181 232 A CA 1.064 53.163 52.037 0.102 0.000 0.620 232 A CB -0.561 18.680 19.000 0.401 0.000 0.821 232 A HN 0.318 nan 8.150 nan 0.000 0.443 233 L N 0.082 121.347 121.223 0.070 0.000 2.012 233 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 233 L C 2.241 179.129 176.870 0.029 0.000 1.073 233 L CA 1.854 56.718 54.840 0.041 0.000 0.748 233 L CB -0.440 41.618 42.059 -0.001 0.000 0.891 233 L HN 0.689 nan 8.230 nan 0.000 0.431 234 I N -2.676 117.918 120.570 0.039 0.000 3.686 234 I HA 0.204 4.374 4.170 -0.000 0.000 0.308 234 I C 1.216 177.356 176.117 0.038 0.000 1.254 234 I CA 0.585 61.914 61.300 0.049 0.000 1.175 234 I CB -0.840 37.217 38.000 0.094 0.000 1.009 234 I HN 0.323 nan 8.210 nan 0.000 0.459 235 G N 2.228 111.035 108.800 0.013 0.000 2.166 235 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 235 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 235 G C 0.437 175.313 174.900 -0.039 0.000 0.986 235 G CA 0.662 45.753 45.100 -0.015 0.000 0.683 235 G HN 0.734 nan 8.290 nan 0.000 0.527 236 T N -1.447 113.088 114.554 -0.032 0.000 3.438 236 T HA 0.579 4.929 4.350 -0.000 0.000 0.244 236 T C -1.908 172.701 174.700 -0.151 0.000 1.269 236 T CA -1.001 61.068 62.100 -0.053 0.000 1.371 236 T CB 1.818 70.703 68.868 0.028 0.000 1.002 236 T HN 0.218 nan 8.240 nan 0.000 0.637 237 P HA 0.163 nan 4.420 nan 0.000 0.235 237 P C -0.139 176.693 177.300 -0.780 0.000 1.720 237 P CA 0.135 62.620 63.100 -1.025 0.000 1.003 237 P CB -0.202 30.737 31.700 -1.268 0.000 1.968 238 S N 1.895 117.459 115.700 -0.228 0.000 2.457 238 S HA 0.322 4.792 4.470 -0.000 0.000 0.289 238 S C 1.434 176.177 174.600 0.239 0.000 1.163 238 S CA -0.678 57.521 58.200 -0.000 0.000 1.078 238 S CB 0.398 63.607 63.200 0.016 0.000 0.987 238 S HN -0.017 nan 8.310 nan 0.000 0.482 239 M N 4.099 123.862 119.600 0.272 0.000 2.200 239 M HA 0.037 4.517 4.480 -0.000 0.000 0.265 239 M C 2.039 178.504 176.300 0.275 0.000 1.066 239 M CA 1.314 56.820 55.300 0.344 0.000 1.127 239 M CB -1.225 31.544 32.600 0.282 0.000 1.379 239 M HN 0.746 nan 8.290 nan 0.000 0.420 240 R N 0.134 120.741 120.500 0.179 0.000 2.096 240 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 240 R C 2.020 178.428 176.300 0.180 0.000 1.127 240 R CA 1.119 57.309 56.100 0.151 0.000 0.968 240 R CB 0.173 30.512 30.300 0.064 0.000 0.861 240 R HN 0.233 nan 8.270 nan 0.000 0.440 241 E N 0.573 120.858 120.200 0.141 0.000 2.047 241 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 241 E C 1.923 178.653 176.600 0.216 0.000 0.987 241 E CA 0.813 57.269 56.400 0.092 0.000 0.799 241 E CB -0.326 29.434 29.700 0.101 0.000 0.752 241 E HN 0.216 nan 8.360 nan 0.000 0.449 242 L N 0.375 121.800 121.223 0.337 0.000 2.079 242 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 242 L C 2.216 179.273 176.870 0.313 0.000 1.081 242 L CA 1.504 56.574 54.840 0.384 0.000 0.752 242 L CB -0.618 41.699 42.059 0.430 0.000 0.896 242 L HN 0.065 nan 8.230 nan 0.000 0.433 243 F N -0.839 119.206 119.950 0.158 0.000 2.206 243 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 243 F C 2.589 178.421 175.800 0.054 0.000 1.090 243 F CA 1.740 59.802 58.000 0.102 0.000 1.323 243 F CB -0.263 38.797 39.000 0.100 0.000 1.028 243 F HN 0.404 nan 8.300 nan 0.000 0.492 244 H N -1.116 117.974 119.070 0.034 0.000 2.293 244 H HA -0.225 4.331 4.556 -0.000 0.000 0.300 244 H C 2.139 177.320 175.328 -0.244 0.000 1.082 244 H CA 2.528 58.467 56.048 -0.181 0.000 1.308 244 H CB -0.968 28.606 29.762 -0.314 0.000 1.375 244 H HN 0.422 nan 8.280 nan 0.000 0.495 245 W N 0.571 121.707 121.300 -0.274 0.000 2.332 245 W HA -0.238 4.422 4.660 -0.000 0.000 0.321 245 W C 2.929 179.266 176.519 -0.304 0.000 1.219 245 W CA 1.894 59.034 57.345 -0.342 0.000 1.277 245 W CB -0.578 28.729 29.460 -0.255 0.000 1.161 245 W HN 0.419 nan 8.180 nan 0.000 0.476 246 T N -3.807 110.766 114.554 0.033 0.000 2.962 246 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 246 T C 1.327 175.876 174.700 -0.252 0.000 1.088 246 T CA 1.663 63.710 62.100 -0.089 0.000 1.127 246 T CB -0.543 68.298 68.868 -0.045 0.000 0.883 246 T HN 0.237 nan 8.240 nan 0.000 0.493 247 T N -2.329 111.976 114.554 -0.414 0.000 3.009 247 T HA 0.408 4.758 4.350 -0.000 0.000 0.267 247 T C 1.364 175.830 174.700 -0.391 0.000 0.942 247 T CA -0.423 61.398 62.100 -0.465 0.000 0.883 247 T CB 0.172 68.618 68.868 -0.703 0.000 1.192 247 T HN 0.261 nan 8.240 nan 0.000 0.524 248 I N 1.558 121.880 120.570 -0.413 0.000 3.565 248 I HA 0.482 4.651 4.170 -0.000 0.000 0.287 248 I C 1.627 177.540 176.117 -0.340 0.000 1.193 248 I CA -0.044 61.069 61.300 -0.312 0.000 1.402 248 I CB -1.221 36.667 38.000 -0.186 0.000 1.284 248 I HN 0.320 nan 8.210 nan 0.000 0.454 249 A N 2.410 124.868 122.820 -0.603 0.000 2.520 249 A HA 0.272 4.592 4.320 -0.000 0.000 0.235 249 A C 0.918 178.442 177.584 -0.101 0.000 1.065 249 A CA 0.249 52.057 52.037 -0.381 0.000 0.764 249 A CB -0.399 18.405 19.000 -0.327 0.000 1.002 249 A HN 0.516 nan 8.150 nan 0.000 0.502 250 T N -0.348 114.205 114.554 -0.003 0.000 2.855 250 T HA 0.181 4.531 4.350 -0.000 0.000 0.314 250 T C 0.846 175.623 174.700 0.128 0.000 1.077 250 T CA 0.148 62.285 62.100 0.062 0.000 1.095 250 T CB 0.065 68.973 68.868 0.066 0.000 0.987 250 T HN 0.416 nan 8.240 nan 0.000 0.546 251 F N 1.573 121.488 119.950 -0.059 0.000 2.115 251 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 251 F C 1.923 177.711 175.800 -0.020 0.000 1.092 251 F CA 2.108 60.070 58.000 -0.064 0.000 1.245 251 F CB -0.650 38.301 39.000 -0.082 0.000 0.995 251 F HN 0.651 nan 8.300 nan 0.000 0.481 252 D N -0.329 120.164 120.400 0.154 0.000 2.097 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 252 D C 1.980 178.322 176.300 0.071 0.000 0.984 252 D CA 1.505 55.556 54.000 0.086 0.000 0.826 252 D CB -0.631 40.223 40.800 0.091 0.000 0.973 252 D HN 0.232 nan 8.370 nan 0.000 0.460 253 D N 0.463 120.938 120.400 0.125 0.000 2.104 253 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 253 D C 2.241 178.659 176.300 0.197 0.000 0.994 253 D CA 0.403 54.536 54.000 0.221 0.000 0.830 253 D CB -0.398 40.599 40.800 0.329 0.000 0.959 253 D HN 0.176 nan 8.370 nan 0.000 0.452 254 L N 0.717 122.028 121.223 0.146 0.000 2.012 254 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 254 L C 2.640 179.457 176.870 -0.089 0.000 1.073 254 L CA 1.264 56.118 54.840 0.023 0.000 0.748 254 L CB -0.032 41.989 42.059 -0.064 0.000 0.891 254 L HN -0.043 nan 8.230 nan 0.000 0.431 255 R N -0.242 120.189 120.500 -0.116 0.000 2.103 255 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 255 R C 2.094 178.344 176.300 -0.083 0.000 1.142 255 R CA 1.529 57.562 56.100 -0.112 0.000 0.960 255 R CB -1.081 29.163 30.300 -0.093 0.000 0.858 255 R HN 0.554 nan 8.270 nan 0.000 0.439 256 G N 0.303 109.076 108.800 -0.046 0.000 2.433 256 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 256 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 256 G C 1.327 176.162 174.900 -0.108 0.000 1.186 256 G CA 0.446 45.520 45.100 -0.044 0.000 0.779 256 G HN 0.291 nan 8.290 nan 0.000 0.543 257 F N 1.395 121.141 119.950 -0.341 0.000 2.154 257 F HA -0.024 4.503 4.527 -0.000 0.000 0.301 257 F C 2.375 177.941 175.800 -0.390 0.000 1.087 257 F CA 1.140 58.814 58.000 -0.543 0.000 1.274 257 F CB -0.196 38.028 39.000 -1.293 0.000 1.009 257 F HN 0.038 nan 8.300 nan 0.000 0.485 258 L N -0.067 120.944 121.223 -0.353 0.000 2.362 258 L HA -0.102 4.238 4.340 -0.000 0.000 0.219 258 L C 0.773 177.472 176.870 -0.285 0.000 1.134 258 L CA 0.409 55.056 54.840 -0.322 0.000 0.807 258 L CB -0.819 41.154 42.059 -0.144 0.000 0.927 258 L HN 0.058 nan 8.230 nan 0.000 0.447 259 E N 0.137 120.192 120.200 -0.242 0.000 2.452 259 E HA 0.078 4.428 4.350 -0.000 0.000 0.261 259 E C 1.123 177.592 176.600 -0.218 0.000 0.987 259 E CA 0.645 56.934 56.400 -0.184 0.000 0.926 259 E CB 0.364 29.982 29.700 -0.138 0.000 0.934 259 E HN 0.331 nan 8.360 nan 0.000 0.452 260 G N 2.732 111.431 108.800 -0.169 0.000 2.258 260 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.233 260 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.233 260 G C 0.493 175.289 174.900 -0.175 0.000 1.006 260 G CA 0.338 45.340 45.100 -0.163 0.000 0.620 260 G HN 0.693 nan 8.290 nan 0.000 0.511 261 T N -0.830 113.599 114.554 -0.208 0.000 2.934 261 T HA 0.691 5.041 4.350 -0.000 0.000 0.283 261 T C 1.662 176.266 174.700 -0.161 0.000 1.005 261 T CA -0.154 61.827 62.100 -0.199 0.000 1.041 261 T CB 1.705 70.426 68.868 -0.245 0.000 1.042 261 T HN 0.306 nan 8.240 nan 0.000 0.505 262 L N 0.864 122.000 121.223 -0.144 0.000 2.263 262 L HA -0.052 4.288 4.340 -0.000 0.000 0.216 262 L C 2.776 179.547 176.870 -0.166 0.000 1.111 262 L CA 1.444 56.206 54.840 -0.130 0.000 0.773 262 L CB -0.688 41.306 42.059 -0.108 0.000 0.906 262 L HN 0.935 nan 8.230 nan 0.000 0.439 263 A N -0.971 121.735 122.820 -0.190 0.000 2.251 263 A HA -0.081 4.239 4.320 -0.000 0.000 0.209 263 A C 2.155 179.624 177.584 -0.192 0.000 1.187 263 A CA 0.379 52.261 52.037 -0.257 0.000 0.823 263 A CB -0.250 18.627 19.000 -0.205 0.000 0.846 263 A HN 0.436 nan 8.150 nan 0.000 0.486 264 E N 0.309 120.417 120.200 -0.153 0.000 2.049 264 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 264 E C 1.782 178.326 176.600 -0.093 0.000 1.007 264 E CA 1.867 58.196 56.400 -0.119 0.000 0.809 264 E CB -0.061 29.568 29.700 -0.119 0.000 0.749 264 E HN 0.526 nan 8.360 nan 0.000 0.450 265 S N 0.039 115.676 115.700 -0.104 0.000 2.421 265 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 265 S C 1.939 176.479 174.600 -0.100 0.000 1.035 265 S CA 0.093 58.244 58.200 -0.082 0.000 0.953 265 S CB -0.049 63.109 63.200 -0.071 0.000 0.810 265 S HN 0.236 nan 8.310 nan 0.000 0.497 266 L N 0.277 121.390 121.223 -0.184 0.000 2.089 266 L HA -0.119 4.221 4.340 -0.000 0.000 0.213 266 L C 1.087 177.815 176.870 -0.237 0.000 1.079 266 L CA 1.485 56.165 54.840 -0.266 0.000 0.758 266 L CB -0.456 41.341 42.059 -0.437 0.000 0.891 266 L HN 0.327 nan 8.230 nan 0.000 0.433 267 F N -0.420 119.467 119.950 -0.105 0.000 2.713 267 F HA 0.407 4.934 4.527 -0.000 0.000 0.294 267 F C 0.681 176.416 175.800 -0.109 0.000 1.152 267 F CA -0.694 57.225 58.000 -0.135 0.000 1.385 267 F CB 0.221 39.112 39.000 -0.182 0.000 0.981 267 F HN -0.015 nan 8.300 nan 0.000 0.514 268 A N -0.843 122.021 122.820 0.074 0.000 2.587 268 A HA 0.702 5.022 4.320 -0.000 0.000 0.293 268 A C 0.564 178.163 177.584 0.025 0.000 1.087 268 A CA 0.029 52.093 52.037 0.045 0.000 0.692 268 A CB 1.200 20.211 19.000 0.018 0.000 1.291 268 A HN 0.401 nan 8.150 nan 0.000 0.407 269 G N -0.630 108.186 108.800 0.027 0.000 2.231 269 G HA2 0.239 4.199 3.960 -0.000 0.000 0.206 269 G HA3 0.239 4.199 3.960 -0.000 0.000 0.206 269 G C 0.366 175.277 174.900 0.020 0.000 0.996 269 G CA 0.742 45.852 45.100 0.017 0.000 0.645 269 G HN 2.621 nan 8.290 nan 0.000 0.498 270 S N -1.476 114.241 115.700 0.029 0.000 2.636 270 S HA 0.571 5.041 4.470 -0.000 0.000 0.268 270 S C 0.493 175.113 174.600 0.033 0.000 1.159 270 S CA 0.192 58.408 58.200 0.026 0.000 0.815 270 S CB 0.727 63.940 63.200 0.022 0.000 1.130 270 S HN 0.000 nan 8.310 nan 0.000 0.471 271 N N 0.844 119.560 118.700 0.027 0.000 2.188 271 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 271 N C 1.459 176.987 175.510 0.030 0.000 1.018 271 N CA 1.564 54.629 53.050 0.025 0.000 0.858 271 N CB -0.533 37.963 38.487 0.016 0.000 0.989 271 N HN 0.784 nan 8.380 nan 0.000 0.426 272 E N 1.512 121.730 120.200 0.030 0.000 2.085 272 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 272 E C 1.776 178.383 176.600 0.011 0.000 0.994 272 E CA 1.466 57.884 56.400 0.030 0.000 0.801 272 E CB -0.336 29.386 29.700 0.035 0.000 0.743 272 E HN 0.310 nan 8.360 nan 0.000 0.453 273 A N -0.363 122.472 122.820 0.025 0.000 1.930 273 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 273 A C 2.436 180.067 177.584 0.078 0.000 1.175 273 A CA 1.760 53.827 52.037 0.049 0.000 0.627 273 A CB -0.604 18.432 19.000 0.061 0.000 0.815 273 A HN 0.278 nan 8.150 nan 0.000 0.443 274 S N -0.740 115.015 115.700 0.092 0.000 2.387 274 S HA -0.104 4.365 4.470 -0.000 0.000 0.226 274 S C 2.011 176.684 174.600 0.121 0.000 1.026 274 S CA 1.385 59.696 58.200 0.186 0.000 0.972 274 S CB -0.173 63.131 63.200 0.174 0.000 0.814 274 S HN 0.675 nan 8.310 nan 0.000 0.477 275 K N 1.552 121.974 120.400 0.037 0.000 2.026 275 K HA -0.069 4.251 4.320 -0.000 0.000 0.208 275 K C 2.242 178.830 176.600 -0.021 0.000 1.048 275 K CA 1.228 57.523 56.287 0.014 0.000 0.929 275 K CB -0.391 32.129 32.500 0.033 0.000 0.713 275 K HN 0.276 nan 8.250 nan 0.000 0.439 276 A N 1.877 124.628 122.820 -0.116 0.000 1.917 276 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 276 A C 2.167 179.570 177.584 -0.301 0.000 1.182 276 A CA 1.483 53.299 52.037 -0.369 0.000 0.633 276 A CB -0.703 17.858 19.000 -0.731 0.000 0.819 276 A HN 0.454 nan 8.150 nan 0.000 0.448 277 L N -0.811 120.147 121.223 -0.442 0.000 2.056 277 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 277 L C 2.629 179.296 176.870 -0.338 0.000 1.078 277 L CA 2.082 56.402 54.840 -0.867 0.000 0.749 277 L CB -0.571 40.958 42.059 -0.884 0.000 0.901 277 L HN 0.410 nan 8.230 nan 0.000 0.433 278 T N -0.857 113.679 114.554 -0.030 0.000 2.788 278 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 278 T C 2.020 176.656 174.700 -0.107 0.000 1.044 278 T CA 1.613 63.674 62.100 -0.065 0.000 1.139 278 T CB -0.049 68.782 68.868 -0.062 0.000 0.867 278 T HN 0.348 nan 8.240 nan 0.000 0.454 279 S N 1.256 116.948 115.700 -0.013 0.000 2.368 279 S HA 0.007 4.477 4.470 -0.000 0.000 0.224 279 S C 2.579 177.247 174.600 0.115 0.000 1.029 279 S CA 0.897 59.118 58.200 0.036 0.000 0.988 279 S CB -0.490 62.770 63.200 0.100 0.000 0.838 279 S HN 0.589 nan 8.310 nan 0.000 0.462 280 A N 2.163 125.032 122.820 0.082 0.000 1.933 280 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 280 A C 2.157 179.727 177.584 -0.024 0.000 1.175 280 A CA 1.034 53.120 52.037 0.081 0.000 0.628 280 A CB -0.374 18.631 19.000 0.010 0.000 0.814 280 A HN 0.293 nan 8.150 nan 0.000 0.444 281 R N -1.305 119.105 120.500 -0.150 0.000 2.073 281 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 281 R C 1.948 178.146 176.300 -0.170 0.000 1.134 281 R CA 1.497 57.462 56.100 -0.226 0.000 0.952 281 R CB -0.874 29.211 30.300 -0.359 0.000 0.850 281 R HN 0.650 nan 8.270 nan 0.000 0.433 282 F N 0.640 120.543 119.950 -0.080 0.000 2.102 282 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 282 F C 2.631 178.416 175.800 -0.026 0.000 1.105 282 F CA 0.880 58.834 58.000 -0.077 0.000 1.239 282 F CB -0.390 38.524 39.000 -0.143 0.000 0.991 282 F HN -0.228 nan 8.300 nan 0.000 0.474 283 V N -0.017 120.016 119.914 0.198 0.000 2.233 283 V HA -0.327 3.792 4.120 -0.000 0.000 0.247 283 V C 2.258 178.420 176.094 0.113 0.000 1.050 283 V CA 1.543 63.939 62.300 0.161 0.000 1.010 283 V CB -0.692 31.234 31.823 0.171 0.000 0.637 283 V HN 0.199 nan 8.190 nan 0.000 0.444 284 L N 1.062 122.328 121.223 0.071 0.000 2.127 284 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 284 L C 2.700 179.627 176.870 0.095 0.000 1.089 284 L CA 2.396 57.268 54.840 0.053 0.000 0.757 284 L CB -1.410 40.651 42.059 0.003 0.000 0.899 284 L HN 0.629 nan 8.230 nan 0.000 0.434 285 S N -2.146 113.592 115.700 0.063 0.000 2.481 285 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 285 S C 1.560 176.289 174.600 0.214 0.000 0.996 285 S CA 0.932 59.201 58.200 0.115 0.000 0.942 285 S CB -0.173 63.056 63.200 0.047 0.000 0.768 285 S HN 0.417 nan 8.310 nan 0.000 0.520 286 D N 1.197 121.698 120.400 0.169 0.000 2.201 286 D HA 0.104 4.744 4.640 -0.000 0.000 0.209 286 D C 1.918 178.300 176.300 0.137 0.000 0.961 286 D CA 0.740 54.827 54.000 0.144 0.000 0.861 286 D CB 0.048 40.919 40.800 0.117 0.000 0.997 286 D HN 0.281 nan 8.370 nan 0.000 0.486 287 K N 0.759 121.238 120.400 0.131 0.000 2.067 287 K HA 0.104 4.424 4.320 -0.000 0.000 0.203 287 K C 2.390 179.105 176.600 0.191 0.000 1.048 287 K CA 0.197 56.556 56.287 0.120 0.000 0.954 287 K CB -0.544 31.988 32.500 0.054 0.000 0.737 287 K HN 0.189 nan 8.250 nan 0.000 0.444 288 L N 1.112 122.458 121.223 0.206 0.000 2.141 288 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 288 L C -0.732 176.269 176.870 0.219 0.000 1.094 288 L CA 0.821 55.817 54.840 0.261 0.000 0.763 288 L CB -1.687 40.613 42.059 0.402 0.000 0.908 288 L HN 0.055 nan 8.230 nan 0.000 0.437 289 P HA -0.257 nan 4.420 nan 0.000 0.221 289 P C 1.365 178.637 177.300 -0.048 0.000 1.160 289 P CA 1.566 64.616 63.100 -0.084 0.000 0.933 289 P CB 0.019 31.745 31.700 0.042 0.000 0.793 290 E N -1.871 118.355 120.200 0.042 0.000 2.153 290 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 290 E C 2.095 178.700 176.600 0.009 0.000 0.988 290 E CA 1.099 57.505 56.400 0.009 0.000 0.811 290 E CB -0.919 28.749 29.700 -0.054 0.000 0.746 290 E HN 0.527 nan 8.360 nan 0.000 0.466 291 H N -0.192 118.900 119.070 0.038 0.000 2.387 291 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 291 H C 2.218 177.612 175.328 0.110 0.000 1.090 291 H CA 1.241 57.371 56.048 0.136 0.000 1.332 291 H CB 0.209 30.073 29.762 0.171 0.000 1.386 291 H HN 0.004 nan 8.280 nan 0.000 0.516 292 V N 0.850 120.844 119.914 0.133 0.000 2.270 292 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 292 V C 2.690 178.785 176.094 0.001 0.000 1.043 292 V CA 2.226 64.536 62.300 0.017 0.000 1.014 292 V CB -0.799 30.877 31.823 -0.246 0.000 0.645 292 V HN 0.579 nan 8.190 nan 0.000 0.447 293 T N -2.633 111.897 114.554 -0.039 0.000 3.163 293 T HA 0.015 4.364 4.350 -0.000 0.000 0.260 293 T C 0.804 175.481 174.700 -0.037 0.000 1.156 293 T CA 0.254 62.330 62.100 -0.039 0.000 1.072 293 T CB -0.327 68.517 68.868 -0.039 0.000 0.937 293 T HN 0.117 nan 8.240 nan 0.000 0.528 294 M N 2.844 122.463 119.600 0.032 0.000 2.217 294 M HA 0.305 4.785 4.480 -0.000 0.000 0.352 294 M C -2.447 173.909 176.300 0.093 0.000 1.376 294 M CA -2.440 52.911 55.300 0.085 0.000 1.107 294 M CB 0.689 33.437 32.600 0.246 0.000 1.723 294 M HN -0.027 nan 8.290 nan 0.000 0.461 295 P HA -0.010 nan 4.420 nan 0.000 0.262 295 P C -1.278 176.088 177.300 0.110 0.000 1.182 295 P CA 0.137 63.270 63.100 0.054 0.000 0.761 295 P CB 0.241 31.959 31.700 0.029 0.000 0.795 296 D N 1.428 121.881 120.400 0.088 0.000 2.268 296 D HA 0.725 5.364 4.640 -0.000 0.000 0.249 296 D C 0.140 176.497 176.300 0.096 0.000 1.008 296 D CA -0.811 53.254 54.000 0.107 0.000 0.939 296 D CB 1.423 42.271 40.800 0.080 0.000 1.170 296 D HN 0.449 nan 8.370 nan 0.000 0.468 297 G N -0.209 108.660 108.800 0.116 0.000 2.489 297 G HA2 0.314 4.274 3.960 -0.000 0.000 0.305 297 G HA3 0.314 4.274 3.960 -0.000 0.000 0.305 297 G C -0.971 174.001 174.900 0.120 0.000 1.311 297 G CA -0.367 44.802 45.100 0.114 0.000 0.813 297 G HN 0.604 nan 8.290 nan 0.000 0.480 298 D N -0.848 119.628 120.400 0.126 0.000 2.342 298 D HA 0.156 4.796 4.640 -0.000 0.000 0.221 298 D C 0.383 176.769 176.300 0.144 0.000 1.101 298 D CA -0.651 53.404 54.000 0.092 0.000 0.837 298 D CB -0.047 40.783 40.800 0.050 0.000 0.938 298 D HN 0.152 nan 8.370 nan 0.000 0.508 299 F N 2.048 122.071 119.950 0.123 0.000 2.572 299 F HA 0.205 4.732 4.527 -0.000 0.000 0.370 299 F C 0.283 176.245 175.800 0.269 0.000 1.103 299 F CA 0.136 58.239 58.000 0.172 0.000 1.286 299 F CB 0.862 39.956 39.000 0.157 0.000 1.105 299 F HN -0.113 nan 8.300 nan 0.000 0.583 300 S N 6.938 122.239 115.700 -0.665 0.000 2.659 300 S HA 0.383 4.853 4.470 -0.000 0.000 0.312 300 S C 0.908 175.205 174.600 -0.505 0.000 1.114 300 S CA -0.844 57.166 58.200 -0.317 0.000 1.063 300 S CB 0.551 63.652 63.200 -0.165 0.000 0.996 300 S HN 0.733 nan 8.310 nan 0.000 0.478 301 I N 4.548 125.060 120.570 -0.098 0.000 2.335 301 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 301 I C 2.663 178.888 176.117 0.180 0.000 1.129 301 I CA 1.126 62.480 61.300 0.091 0.000 1.402 301 I CB -0.147 37.966 38.000 0.188 0.000 1.069 301 I HN 0.663 nan 8.210 nan 0.000 0.424 302 R N 0.226 120.790 120.500 0.106 0.000 2.070 302 R HA -0.128 4.212 4.340 -0.000 0.000 0.233 302 R C 2.497 178.835 176.300 0.063 0.000 1.137 302 R CA 1.882 58.044 56.100 0.102 0.000 0.945 302 R CB -0.543 29.790 30.300 0.054 0.000 0.845 302 R HN 0.284 nan 8.270 nan 0.000 0.430 303 S N 0.255 115.953 115.700 -0.004 0.000 2.382 303 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 303 S C 1.368 175.981 174.600 0.022 0.000 1.027 303 S CA 1.131 59.320 58.200 -0.019 0.000 0.991 303 S CB -0.340 62.821 63.200 -0.065 0.000 0.823 303 S HN 0.488 nan 8.310 nan 0.000 0.469 304 W N 2.496 123.693 121.300 -0.172 0.000 2.338 304 W HA -0.088 4.571 4.660 -0.000 0.000 0.304 304 W C 1.549 178.072 176.519 0.007 0.000 1.212 304 W CA 1.053 58.357 57.345 -0.068 0.000 1.264 304 W CB -0.476 28.967 29.460 -0.029 0.000 1.142 304 W HN 0.189 nan 8.180 nan 0.000 0.512 305 L N 0.481 121.736 121.223 0.054 0.000 2.083 305 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 305 L C 2.316 179.068 176.870 -0.196 0.000 1.083 305 L CA 1.846 56.592 54.840 -0.157 0.000 0.752 305 L CB -0.854 41.254 42.059 0.082 0.000 0.899 305 L HN 0.036 nan 8.230 nan 0.000 0.433 306 E N -0.759 119.381 120.200 -0.099 0.000 2.274 306 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 306 E C 0.359 176.892 176.600 -0.110 0.000 0.996 306 E CA 0.219 56.569 56.400 -0.083 0.000 0.840 306 E CB -0.029 29.649 29.700 -0.036 0.000 0.772 306 E HN 0.275 nan 8.360 nan 0.000 0.491 307 D N 0.745 121.053 120.400 -0.153 0.000 2.365 307 D HA 0.051 4.691 4.640 -0.000 0.000 0.237 307 D C -1.915 174.268 176.300 -0.196 0.000 1.190 307 D CA -2.518 51.400 54.000 -0.137 0.000 0.867 307 D CB 1.345 42.088 40.800 -0.095 0.000 1.050 307 D HN -0.220 nan 8.370 nan 0.000 0.491 308 P HA -0.088 nan 4.420 nan 0.000 0.215 308 P C 0.702 177.941 177.300 -0.102 0.000 1.153 308 P CA 0.804 63.830 63.100 -0.123 0.000 0.853 308 P CB 0.250 31.906 31.700 -0.074 0.000 0.788 309 N N -0.575 118.088 118.700 -0.062 0.000 2.521 309 N HA -0.004 4.736 4.740 -0.000 0.000 0.188 309 N C 1.136 176.644 175.510 -0.003 0.000 1.146 309 N CA 0.497 53.536 53.050 -0.018 0.000 0.893 309 N CB -0.413 38.078 38.487 0.006 0.000 0.975 309 N HN 0.125 nan 8.380 nan 0.000 0.451 310 G N -0.173 108.578 108.800 -0.082 0.000 2.491 310 G HA2 0.358 4.318 3.960 -0.000 0.000 0.242 310 G HA3 0.358 4.318 3.960 -0.000 0.000 0.242 310 G C 0.874 175.803 174.900 0.048 0.000 1.266 310 G CA -0.100 44.969 45.100 -0.052 0.000 0.844 310 G HN 0.141 nan 8.290 nan 0.000 0.571 311 G N 0.901 109.910 108.800 0.348 0.000 2.820 311 G HA2 0.237 4.197 3.960 -0.000 0.000 0.158 311 G HA3 0.237 4.197 3.960 -0.000 0.000 0.158 311 G C 0.201 175.407 174.900 0.510 0.000 1.715 311 G CA -0.422 44.897 45.100 0.365 0.000 1.057 311 G HN 0.604 nan 8.290 nan 0.000 0.525 312 N N -0.754 118.284 118.700 0.563 0.000 2.292 312 N HA 0.403 5.143 4.740 -0.000 0.000 0.303 312 N C -1.348 174.408 175.510 0.410 0.000 1.140 312 N CA -0.488 52.890 53.050 0.546 0.000 0.788 312 N CB 2.451 41.100 38.487 0.269 0.000 1.361 312 N HN 0.213 nan 8.380 nan 0.000 0.489 313 L N 1.911 123.195 121.223 0.102 0.000 2.272 313 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 313 L C -1.214 175.502 176.870 -0.257 0.000 1.032 313 L CA -0.614 54.040 54.840 -0.310 0.000 0.810 313 L CB 0.292 41.812 42.059 -0.899 0.000 1.205 313 L HN 0.388 nan 8.230 nan 0.000 0.422 314 F N 5.532 125.401 119.950 -0.136 0.000 2.375 314 F HA 0.425 4.952 4.527 -0.000 0.000 0.361 314 F C 0.234 175.985 175.800 -0.081 0.000 1.117 314 F CA -0.457 57.516 58.000 -0.046 0.000 1.037 314 F CB 1.259 40.249 39.000 -0.016 0.000 1.192 314 F HN 0.216 nan 8.300 nan 0.000 0.452 315 I N 3.959 124.611 120.570 0.136 0.000 2.291 315 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 315 I C 0.343 176.694 176.117 0.390 0.000 1.050 315 I CA -0.244 61.160 61.300 0.174 0.000 1.245 315 I CB 0.697 38.837 38.000 0.234 0.000 1.405 315 I HN 0.612 nan 8.210 nan 0.000 0.478 316 T N 2.298 117.061 114.554 0.349 0.000 2.938 316 T HA 0.794 5.144 4.350 -0.000 0.000 0.285 316 T C -1.023 173.992 174.700 0.526 0.000 1.028 316 T CA -0.689 61.604 62.100 0.320 0.000 1.005 316 T CB 2.086 71.042 68.868 0.146 0.000 1.157 316 T HN 0.710 nan 8.240 nan 0.000 0.550 317 W N -0.878 120.457 121.300 0.059 0.000 3.546 317 W HA 0.538 5.198 4.660 -0.000 0.000 0.291 317 W C -1.748 174.703 176.519 -0.113 0.000 1.199 317 W CA -1.175 56.175 57.345 0.008 0.000 1.159 317 W CB 0.641 30.137 29.460 0.060 0.000 1.333 317 W HN 0.808 nan 8.180 nan 0.000 0.570 318 R N 2.604 123.023 120.500 -0.136 0.000 2.389 318 R HA 0.119 4.459 4.340 -0.000 0.000 0.295 318 R C 1.097 177.359 176.300 -0.063 0.000 1.075 318 R CA -0.201 55.733 56.100 -0.278 0.000 1.005 318 R CB 1.106 31.173 30.300 -0.387 0.000 0.987 318 R HN 0.756 nan 8.270 nan 0.000 0.452 319 E N 1.626 121.742 120.200 -0.141 0.000 2.130 319 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 319 E C 1.049 177.692 176.600 0.071 0.000 0.998 319 E CA 1.784 58.191 56.400 0.012 0.000 0.806 319 E CB 0.095 29.763 29.700 -0.053 0.000 0.738 319 E HN 0.638 nan 8.360 nan 0.000 0.459 320 D N -0.349 120.050 120.400 -0.002 0.000 2.350 320 D HA -0.175 4.465 4.640 -0.000 0.000 0.216 320 D C 1.359 177.661 176.300 0.004 0.000 0.968 320 D CA 0.910 54.906 54.000 -0.006 0.000 0.894 320 D CB -0.138 40.638 40.800 -0.040 0.000 0.909 320 D HN 0.274 nan 8.370 nan 0.000 0.520 321 M N -0.327 119.295 119.600 0.037 0.000 2.346 321 M HA 0.307 4.787 4.480 -0.000 0.000 0.280 321 M C 1.826 178.167 176.300 0.069 0.000 1.075 321 M CA 0.032 55.343 55.300 0.018 0.000 0.989 321 M CB 1.298 33.864 32.600 -0.056 0.000 1.447 321 M HN 0.058 nan 8.290 nan 0.000 0.511 322 G N 2.899 111.799 108.800 0.166 0.000 2.491 322 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.218 322 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.218 322 G C -0.592 174.266 174.900 -0.069 0.000 1.180 322 G CA 0.836 45.992 45.100 0.094 0.000 0.774 322 G HN 0.323 nan 8.290 nan 0.000 0.562 323 P HA -0.048 nan 4.420 nan 0.000 0.217 323 P C 1.996 179.266 177.300 -0.051 0.000 1.150 323 P CA 1.912 64.991 63.100 -0.034 0.000 0.832 323 P CB -0.164 31.532 31.700 -0.006 0.000 0.787 324 A N 0.059 122.854 122.820 -0.042 0.000 1.930 324 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 324 A C 2.272 179.819 177.584 -0.061 0.000 1.175 324 A CA 1.167 53.185 52.037 -0.032 0.000 0.627 324 A CB -1.371 17.619 19.000 -0.017 0.000 0.815 324 A HN 0.168 nan 8.150 nan 0.000 0.443 325 L N -1.332 119.818 121.223 -0.122 0.000 2.592 325 L HA 0.123 4.463 4.340 -0.000 0.000 0.227 325 L C 2.308 178.992 176.870 -0.311 0.000 1.127 325 L CA 0.105 54.820 54.840 -0.207 0.000 0.884 325 L CB -0.255 41.673 42.059 -0.219 0.000 1.065 325 L HN 0.441 nan 8.230 nan 0.000 0.457 326 R N 1.622 121.969 120.500 -0.255 0.000 2.113 326 R HA -0.172 4.168 4.340 -0.000 0.000 0.244 326 R C -0.472 175.707 176.300 -0.202 0.000 1.142 326 R CA 2.050 58.006 56.100 -0.241 0.000 0.953 326 R CB -0.962 29.252 30.300 -0.145 0.000 0.860 326 R HN 0.227 nan 8.270 nan 0.000 0.438 327 P HA -0.164 nan 4.420 nan 0.000 0.219 327 P C 1.526 178.732 177.300 -0.157 0.000 1.150 327 P CA 1.131 64.174 63.100 -0.096 0.000 0.814 327 P CB -0.068 31.621 31.700 -0.018 0.000 0.787 328 L N -0.495 120.531 121.223 -0.328 0.000 2.049 328 L HA -0.048 4.292 4.340 -0.000 0.000 0.203 328 L C 2.683 179.041 176.870 -0.854 0.000 1.074 328 L CA 1.240 55.656 54.840 -0.707 0.000 0.749 328 L CB -0.603 40.949 42.059 -0.844 0.000 0.907 328 L HN -0.186 nan 8.230 nan 0.000 0.439 329 I N -0.561 119.635 120.570 -0.624 0.000 2.264 329 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 329 I C 2.482 178.486 176.117 -0.188 0.000 1.111 329 I CA 1.238 62.318 61.300 -0.368 0.000 1.382 329 I CB -0.231 37.528 38.000 -0.403 0.000 1.060 329 I HN 0.219 nan 8.210 nan 0.000 0.418 330 S N 0.574 116.162 115.700 -0.187 0.000 2.402 330 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 330 S C 2.235 176.818 174.600 -0.029 0.000 1.021 330 S CA 1.090 59.248 58.200 -0.070 0.000 0.974 330 S CB -0.234 62.927 63.200 -0.065 0.000 0.800 330 S HN 0.544 nan 8.310 nan 0.000 0.484 331 A N 1.543 124.300 122.820 -0.104 0.000 1.858 331 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 331 A C 1.883 179.507 177.584 0.066 0.000 1.190 331 A CA 1.253 53.284 52.037 -0.011 0.000 0.617 331 A CB -0.898 18.095 19.000 -0.011 0.000 0.827 331 A HN 0.609 nan 8.150 nan 0.000 0.443 332 W N 0.017 121.270 121.300 -0.078 0.000 2.355 332 W HA -0.111 4.549 4.660 -0.000 0.000 0.309 332 W C 2.366 178.869 176.519 -0.027 0.000 1.206 332 W CA 1.138 58.393 57.345 -0.150 0.000 1.284 332 W CB -1.445 27.853 29.460 -0.270 0.000 1.145 332 W HN 0.183 nan 8.180 nan 0.000 0.502 333 V N 0.464 120.513 119.914 0.225 0.000 2.392 333 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 333 V C 1.785 177.971 176.094 0.153 0.000 1.059 333 V CA 2.444 64.844 62.300 0.167 0.000 1.051 333 V CB -1.026 30.876 31.823 0.131 0.000 0.658 333 V HN 0.052 nan 8.190 nan 0.000 0.455 334 D N -0.558 119.931 120.400 0.147 0.000 2.149 334 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 334 D C 2.021 178.427 176.300 0.176 0.000 0.972 334 D CA 0.889 54.969 54.000 0.134 0.000 0.835 334 D CB 0.094 40.958 40.800 0.107 0.000 0.966 334 D HN 0.199 nan 8.370 nan 0.000 0.476 335 V N -0.064 120.009 119.914 0.265 0.000 2.332 335 V HA -0.222 3.897 4.120 -0.000 0.000 0.248 335 V C 2.470 178.752 176.094 0.314 0.000 1.055 335 V CA 1.216 63.753 62.300 0.394 0.000 1.038 335 V CB -0.348 31.768 31.823 0.487 0.000 0.651 335 V HN 0.182 nan 8.190 nan 0.000 0.450 336 V N -1.107 118.951 119.914 0.240 0.000 2.343 336 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 336 V C 2.515 178.705 176.094 0.160 0.000 1.051 336 V CA 2.168 64.593 62.300 0.208 0.000 1.036 336 V CB -0.785 31.148 31.823 0.184 0.000 0.654 336 V HN 0.650 nan 8.190 nan 0.000 0.451 337 C N 0.201 119.578 119.300 0.128 0.000 2.411 337 C HA -0.145 4.315 4.460 -0.000 0.000 0.279 337 C C 2.885 177.913 174.990 0.063 0.000 1.288 337 C CA 1.772 60.835 59.018 0.076 0.000 1.764 337 C CB -1.280 26.496 27.740 0.061 0.000 1.974 337 C HN 0.699 nan 8.230 nan 0.000 0.498 338 T N -0.302 114.298 114.554 0.077 0.000 2.939 338 T HA -0.058 4.292 4.350 -0.000 0.000 0.254 338 T C 1.967 176.723 174.700 0.093 0.000 1.041 338 T CA 1.324 63.448 62.100 0.040 0.000 1.142 338 T CB -0.340 68.490 68.868 -0.063 0.000 0.874 338 T HN 0.473 nan 8.240 nan 0.000 0.452 339 S N 2.390 118.194 115.700 0.173 0.000 2.383 339 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 339 S C 2.104 176.788 174.600 0.140 0.000 1.030 339 S CA 1.447 59.773 58.200 0.210 0.000 1.002 339 S CB -0.582 62.785 63.200 0.278 0.000 0.829 339 S HN 0.708 nan 8.310 nan 0.000 0.467 340 I N -0.567 120.069 120.570 0.110 0.000 2.916 340 I HA 0.019 4.189 4.170 -0.000 0.000 0.267 340 I C 1.552 177.697 176.117 0.046 0.000 1.263 340 I CA 0.973 62.313 61.300 0.068 0.000 1.471 340 I CB -0.494 37.534 38.000 0.047 0.000 1.089 340 I HN 0.059 nan 8.210 nan 0.000 0.468 341 L N 0.076 121.332 121.223 0.054 0.000 2.395 341 L HA 0.089 4.429 4.340 -0.000 0.000 0.218 341 L C 2.096 178.996 176.870 0.050 0.000 1.130 341 L CA 1.291 56.154 54.840 0.038 0.000 0.826 341 L CB -0.603 41.476 42.059 0.033 0.000 0.941 341 L HN 0.279 nan 8.230 nan 0.000 0.451 342 S N -1.330 114.417 115.700 0.078 0.000 2.539 342 S HA 0.289 4.759 4.470 -0.000 0.000 0.221 342 S C 0.712 175.351 174.600 0.064 0.000 0.987 342 S CA -0.406 57.848 58.200 0.091 0.000 0.929 342 S CB 0.152 63.438 63.200 0.143 0.000 0.832 342 S HN 0.116 nan 8.310 nan 0.000 0.492 343 L N 3.646 124.897 121.223 0.047 0.000 2.461 343 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 343 L C -1.860 175.017 176.870 0.011 0.000 1.197 343 L CA -1.501 53.354 54.840 0.025 0.000 0.836 343 L CB -0.180 41.885 42.059 0.009 0.000 1.105 343 L HN 0.054 nan 8.230 nan 0.000 0.477 344 P HA 0.008 nan 4.420 nan 0.000 0.271 344 P C -0.524 176.769 177.300 -0.012 0.000 1.216 344 P CA -0.409 62.689 63.100 -0.003 0.000 0.771 344 P CB 0.625 32.322 31.700 -0.006 0.000 0.864 345 E N 2.136 122.329 120.200 -0.012 0.000 2.757 345 E HA -0.120 4.230 4.350 -0.000 0.000 0.238 345 E C -0.116 176.470 176.600 -0.023 0.000 1.057 345 E CA 1.030 57.419 56.400 -0.018 0.000 0.952 345 E CB -0.165 29.525 29.700 -0.017 0.000 0.934 345 E HN 0.369 nan 8.360 nan 0.000 0.518 346 E N 5.202 125.383 120.200 -0.030 0.000 2.460 346 E HA 0.290 4.640 4.350 -0.000 0.000 0.249 346 E C -2.323 174.252 176.600 -0.041 0.000 0.962 346 E CA -1.957 54.422 56.400 -0.035 0.000 0.787 346 E CB 1.160 30.837 29.700 -0.039 0.000 1.341 346 E HN 0.077 nan 8.360 nan 0.000 0.407 347 P HA -0.161 nan 4.420 nan 0.000 0.218 347 P C 0.445 177.718 177.300 -0.044 0.000 1.146 347 P CA 1.085 64.160 63.100 -0.042 0.000 0.813 347 P CB 0.329 32.009 31.700 -0.034 0.000 0.778 348 K N -1.085 119.291 120.400 -0.040 0.000 2.426 348 K HA 0.028 4.348 4.320 -0.000 0.000 0.193 348 K C 1.034 177.607 176.600 -0.044 0.000 1.028 348 K CA 0.032 56.296 56.287 -0.037 0.000 1.047 348 K CB 0.142 32.625 32.500 -0.030 0.000 0.821 348 K HN 0.202 nan 8.250 nan 0.000 0.513 349 R N 1.790 122.257 120.500 -0.055 0.000 2.438 349 R HA 0.110 4.450 4.340 -0.000 0.000 0.287 349 R C -0.597 175.653 176.300 -0.083 0.000 1.077 349 R CA 0.071 56.131 56.100 -0.066 0.000 1.034 349 R CB 0.517 30.773 30.300 -0.073 0.000 0.993 349 R HN -0.041 nan 8.270 nan 0.000 0.459 350 R N 5.122 125.574 120.500 -0.079 0.000 2.545 350 R HA 0.293 4.633 4.340 -0.000 0.000 0.289 350 R C -1.150 175.081 176.300 -0.114 0.000 1.327 350 R CA -0.547 55.479 56.100 -0.124 0.000 1.040 350 R CB 1.354 31.621 30.300 -0.056 0.000 1.176 350 R HN 0.444 nan 8.270 nan 0.000 0.518 351 L N 3.295 124.406 121.223 -0.186 0.000 2.313 351 L HA 0.521 4.861 4.340 -0.000 0.000 0.283 351 L C -1.124 175.618 176.870 -0.214 0.000 1.013 351 L CA -0.722 54.060 54.840 -0.096 0.000 0.816 351 L CB 1.112 43.143 42.059 -0.047 0.000 1.236 351 L HN 0.543 nan 8.230 nan 0.000 0.419 352 W N 5.482 126.771 121.300 -0.018 0.000 2.496 352 W HA 0.505 5.165 4.660 -0.000 0.000 0.327 352 W C -0.465 175.973 176.519 -0.134 0.000 1.086 352 W CA -0.337 56.925 57.345 -0.139 0.000 1.222 352 W CB 1.358 30.713 29.460 -0.175 0.000 1.304 352 W HN 0.212 nan 8.180 nan 0.000 0.547 353 L N 4.048 125.252 121.223 -0.031 0.000 2.345 353 L HA 0.450 4.790 4.340 -0.000 0.000 0.274 353 L C -1.581 175.238 176.870 -0.085 0.000 0.999 353 L CA -0.800 54.049 54.840 0.015 0.000 0.849 353 L CB 0.474 42.549 42.059 0.026 0.000 1.220 353 L HN 0.301 nan 8.230 nan 0.000 0.422 354 F N 5.588 125.651 119.950 0.188 0.000 2.361 354 F HA 0.425 4.952 4.527 -0.000 0.000 0.364 354 F C 0.394 176.284 175.800 0.150 0.000 1.120 354 F CA -0.344 57.752 58.000 0.161 0.000 1.102 354 F CB 1.151 40.209 39.000 0.097 0.000 1.183 354 F HN 0.232 nan 8.300 nan 0.000 0.476 355 I N 4.663 125.415 120.570 0.303 0.000 2.460 355 I HA 0.112 4.282 4.170 -0.000 0.000 0.277 355 I C 0.760 177.015 176.117 0.230 0.000 1.057 355 I CA -0.492 60.955 61.300 0.245 0.000 1.179 355 I CB 0.895 39.009 38.000 0.190 0.000 1.329 355 I HN 0.558 nan 8.210 nan 0.000 0.478 356 D N 4.223 124.767 120.400 0.241 0.000 2.149 356 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 356 D C 0.278 176.665 176.300 0.146 0.000 1.001 356 D CA 1.725 55.837 54.000 0.186 0.000 0.849 356 D CB 0.353 41.250 40.800 0.162 0.000 0.939 356 D HN 0.291 nan 8.370 nan 0.000 0.449 357 E N -0.330 119.964 120.200 0.157 0.000 2.460 357 E HA 0.169 4.519 4.350 -0.000 0.000 0.249 357 E C 0.563 177.230 176.600 0.111 0.000 0.962 357 E CA -0.587 55.882 56.400 0.115 0.000 0.787 357 E CB 1.528 31.299 29.700 0.119 0.000 1.341 357 E HN 0.059 nan 8.360 nan 0.000 0.407 358 L N 3.039 124.309 121.223 0.078 0.000 2.042 358 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 358 L C 1.690 178.633 176.870 0.121 0.000 1.076 358 L CA 2.508 57.398 54.840 0.084 0.000 0.749 358 L CB -0.283 41.779 42.059 0.006 0.000 0.893 358 L HN 0.536 nan 8.230 nan 0.000 0.432 359 A N -2.267 120.610 122.820 0.096 0.000 2.235 359 A HA 0.019 4.339 4.320 -0.000 0.000 0.208 359 A C 2.198 179.842 177.584 0.099 0.000 1.172 359 A CA 1.122 53.233 52.037 0.123 0.000 0.786 359 A CB -0.517 18.533 19.000 0.084 0.000 0.804 359 A HN 0.487 nan 8.150 nan 0.000 0.479 360 S N -0.538 115.217 115.700 0.092 0.000 2.501 360 S HA 0.263 4.733 4.470 -0.000 0.000 0.220 360 S C 0.750 175.368 174.600 0.031 0.000 0.997 360 S CA -0.043 58.199 58.200 0.069 0.000 0.919 360 S CB -0.160 63.101 63.200 0.101 0.000 0.778 360 S HN 0.510 nan 8.310 nan 0.000 0.523 361 L N 1.251 122.503 121.223 0.048 0.000 2.472 361 L HA 0.390 4.730 4.340 -0.000 0.000 0.256 361 L C 0.774 177.643 176.870 -0.001 0.000 1.111 361 L CA -0.765 54.079 54.840 0.007 0.000 0.800 361 L CB 0.361 42.447 42.059 0.044 0.000 1.286 361 L HN 0.104 nan 8.230 nan 0.000 0.479 362 E N 0.137 120.311 120.200 -0.044 0.000 2.385 362 E HA 0.078 4.428 4.350 -0.000 0.000 0.254 362 E C -0.495 175.989 176.600 -0.193 0.000 1.228 362 E CA -0.656 55.684 56.400 -0.100 0.000 0.956 362 E CB 0.589 30.235 29.700 -0.091 0.000 1.116 362 E HN 0.284 nan 8.360 nan 0.000 0.507 363 K N 2.050 122.223 120.400 -0.378 0.000 2.307 363 K HA 0.050 4.370 4.320 -0.000 0.000 0.285 363 K C -0.451 175.960 176.600 -0.315 0.000 1.073 363 K CA -0.064 55.760 56.287 -0.772 0.000 0.996 363 K CB -0.360 31.734 32.500 -0.678 0.000 0.994 363 K HN 0.315 nan 8.250 nan 0.000 0.452 364 L N 4.144 125.323 121.223 -0.073 0.000 2.410 364 L HA 0.026 4.366 4.340 -0.000 0.000 0.273 364 L C 1.523 178.447 176.870 0.089 0.000 1.152 364 L CA -0.362 54.523 54.840 0.075 0.000 0.855 364 L CB 1.031 43.193 42.059 0.170 0.000 1.129 364 L HN 0.778 nan 8.230 nan 0.000 0.463 365 A N 2.421 125.264 122.820 0.039 0.000 1.930 365 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 365 A C 1.998 179.605 177.584 0.039 0.000 1.175 365 A CA 1.659 53.713 52.037 0.028 0.000 0.627 365 A CB -0.131 18.871 19.000 0.003 0.000 0.815 365 A HN 0.769 nan 8.150 nan 0.000 0.443 366 S N -0.788 114.938 115.700 0.042 0.000 2.523 366 S HA 0.231 4.701 4.470 -0.000 0.000 0.217 366 S C 1.517 176.135 174.600 0.030 0.000 0.996 366 S CA -0.129 58.088 58.200 0.028 0.000 0.921 366 S CB -0.023 63.187 63.200 0.017 0.000 0.829 366 S HN 0.459 nan 8.310 nan 0.000 0.495 367 L N 1.882 123.140 121.223 0.058 0.000 2.013 367 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 367 L C 2.691 179.550 176.870 -0.017 0.000 1.073 367 L CA 1.749 56.609 54.840 0.033 0.000 0.753 367 L CB -0.732 41.380 42.059 0.089 0.000 0.890 367 L HN 0.419 nan 8.230 nan 0.000 0.432 368 A N -0.087 122.741 122.820 0.013 0.000 1.869 368 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 368 A C 1.888 179.448 177.584 -0.040 0.000 1.203 368 A CA 2.316 54.344 52.037 -0.015 0.000 0.638 368 A CB -0.850 18.160 19.000 0.017 0.000 0.831 368 A HN 0.526 nan 8.150 nan 0.000 0.450 369 D N -0.228 120.158 120.400 -0.023 0.000 2.144 369 D HA -0.043 4.597 4.640 -0.000 0.000 0.199 369 D C 2.231 178.507 176.300 -0.040 0.000 0.984 369 D CA 1.394 55.378 54.000 -0.027 0.000 0.834 369 D CB -0.418 40.372 40.800 -0.016 0.000 0.955 369 D HN 0.461 nan 8.370 nan 0.000 0.465 370 A N 0.987 123.777 122.820 -0.049 0.000 1.940 370 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 370 A C 2.284 179.797 177.584 -0.119 0.000 1.176 370 A CA 0.869 52.867 52.037 -0.066 0.000 0.631 370 A CB -0.723 18.239 19.000 -0.062 0.000 0.814 370 A HN 0.221 nan 8.150 nan 0.000 0.446 371 L N -1.151 119.951 121.223 -0.201 0.000 2.610 371 L HA -0.002 4.337 4.340 -0.000 0.000 0.232 371 L C 1.834 178.668 176.870 -0.060 0.000 1.149 371 L CA 1.043 55.693 54.840 -0.318 0.000 0.872 371 L CB -0.109 41.655 42.059 -0.490 0.000 0.992 371 L HN 0.327 nan 8.230 nan 0.000 0.447 372 T N -1.747 112.782 114.554 -0.041 0.000 2.954 372 T HA 0.112 4.462 4.350 -0.000 0.000 0.252 372 T C 1.178 175.868 174.700 -0.017 0.000 0.983 372 T CA 0.153 62.241 62.100 -0.020 0.000 0.941 372 T CB 0.545 69.395 68.868 -0.029 0.000 1.141 372 T HN 0.161 nan 8.240 nan 0.000 0.500 373 K N 0.669 121.058 120.400 -0.018 0.000 2.592 373 K HA 0.350 4.670 4.320 -0.000 0.000 0.203 373 K C 1.287 177.876 176.600 -0.019 0.000 1.070 373 K CA -0.165 56.109 56.287 -0.020 0.000 1.062 373 K CB 1.117 33.605 32.500 -0.021 0.000 0.814 373 K HN 0.127 nan 8.250 nan 0.000 0.502 374 G N 0.755 109.549 108.800 -0.011 0.000 3.126 374 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.224 374 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.224 374 G C 1.160 176.035 174.900 -0.041 0.000 1.142 374 G CA -0.226 44.865 45.100 -0.016 0.000 0.759 374 G HN 0.089 nan 8.290 nan 0.000 0.550 375 R N 0.901 121.368 120.500 -0.055 0.000 2.082 375 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 375 R C 2.228 178.480 176.300 -0.081 0.000 1.136 375 R CA 1.529 57.574 56.100 -0.091 0.000 0.935 375 R CB -0.222 30.025 30.300 -0.088 0.000 0.842 375 R HN 0.197 nan 8.270 nan 0.000 0.430 376 K N -0.445 119.920 120.400 -0.059 0.000 2.160 376 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 376 K C 1.823 178.392 176.600 -0.051 0.000 1.047 376 K CA 1.514 57.771 56.287 -0.051 0.000 0.930 376 K CB -0.097 32.381 32.500 -0.037 0.000 0.720 376 K HN 0.253 nan 8.250 nan 0.000 0.450 377 A N 0.078 122.869 122.820 -0.049 0.000 2.169 377 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 377 A C 1.276 178.817 177.584 -0.073 0.000 1.153 377 A CA 0.862 52.870 52.037 -0.047 0.000 0.756 377 A CB -0.136 18.848 19.000 -0.028 0.000 0.813 377 A HN 0.408 nan 8.150 nan 0.000 0.471 378 G N -0.936 107.806 108.800 -0.096 0.000 2.182 378 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.248 378 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.248 378 G C 0.028 174.815 174.900 -0.189 0.000 1.042 378 G CA 0.242 45.256 45.100 -0.143 0.000 0.775 378 G HN 0.571 nan 8.290 nan 0.000 0.501 379 L N -0.133 121.004 121.223 -0.142 0.000 2.380 379 L HA 0.598 4.938 4.340 -0.000 0.000 0.273 379 L C 0.534 177.292 176.870 -0.186 0.000 1.138 379 L CA -0.296 54.466 54.840 -0.131 0.000 0.832 379 L CB 0.518 42.555 42.059 -0.036 0.000 1.124 379 L HN 0.300 nan 8.230 nan 0.000 0.454 380 R N 3.927 124.236 120.500 -0.319 0.000 2.468 380 R HA 0.457 4.797 4.340 -0.000 0.000 0.302 380 R C -1.345 174.852 176.300 -0.171 0.000 1.041 380 R CA -0.590 55.232 56.100 -0.463 0.000 0.899 380 R CB 2.087 31.536 30.300 -1.418 0.000 1.167 380 R HN 0.344 nan 8.270 nan 0.000 0.483 381 V N 3.880 123.917 119.914 0.205 0.000 2.435 381 V HA 0.446 4.566 4.120 -0.000 0.000 0.290 381 V C -0.171 176.070 176.094 0.245 0.000 1.030 381 V CA -0.765 61.570 62.300 0.059 0.000 0.881 381 V CB 1.983 33.662 31.823 -0.240 0.000 0.983 381 V HN 0.397 nan 8.190 nan 0.000 0.445 382 V N 3.921 123.939 119.914 0.172 0.000 2.444 382 V HA 0.886 5.006 4.120 -0.000 0.000 0.294 382 V C 0.131 176.375 176.094 0.250 0.000 1.022 382 V CA -0.346 62.104 62.300 0.251 0.000 0.850 382 V CB 1.519 33.428 31.823 0.144 0.000 0.992 382 V HN 1.035 nan 8.190 nan 0.000 0.426 383 A N 3.387 126.327 122.820 0.200 0.000 2.454 383 A HA 0.976 5.296 4.320 -0.000 0.000 0.302 383 A C -0.066 177.505 177.584 -0.021 0.000 1.079 383 A CA -0.242 51.835 52.037 0.067 0.000 0.731 383 A CB 2.017 20.986 19.000 -0.052 0.000 1.299 383 A HN 1.074 nan 8.150 nan 0.000 0.413 384 G N -0.031 108.778 108.800 0.014 0.000 2.420 384 G HA2 0.625 4.585 3.960 -0.000 0.000 0.331 384 G HA3 0.625 4.585 3.960 -0.000 0.000 0.331 384 G C -1.444 173.438 174.900 -0.029 0.000 1.168 384 G CA -0.324 44.777 45.100 0.001 0.000 0.936 384 G HN 0.530 nan 8.290 nan 0.000 0.479 385 L N -0.377 120.823 121.223 -0.039 0.000 2.409 385 L HA 0.528 4.868 4.340 -0.000 0.000 0.255 385 L C 0.680 177.541 176.870 -0.015 0.000 1.027 385 L CA -0.609 54.209 54.840 -0.037 0.000 0.834 385 L CB 1.986 43.995 42.059 -0.082 0.000 1.426 385 L HN 0.738 nan 8.230 nan 0.000 0.411 386 Q N -0.414 119.383 119.800 -0.005 0.000 2.579 386 Q HA 0.358 4.698 4.340 -0.000 0.000 0.198 386 Q C -0.564 175.434 176.000 -0.002 0.000 0.769 386 Q CA 0.118 55.922 55.803 0.002 0.000 0.861 386 Q CB 1.092 29.837 28.738 0.012 0.000 1.227 386 Q HN 0.691 nan 8.270 nan 0.000 0.615 387 S N 0.505 116.205 115.700 0.000 0.000 2.482 387 S HA 0.172 4.642 4.470 -0.000 0.000 0.303 387 S C 0.567 175.164 174.600 -0.004 0.000 1.091 387 S CA -0.090 58.109 58.200 -0.001 0.000 1.057 387 S CB 1.750 64.952 63.200 0.005 0.000 1.031 387 S HN 0.536 nan 8.310 nan 0.000 0.485 388 T N -0.295 114.254 114.554 -0.008 0.000 2.822 388 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 388 T C 1.927 176.628 174.700 0.002 0.000 1.064 388 T CA 1.630 63.724 62.100 -0.010 0.000 1.131 388 T CB -0.596 68.266 68.868 -0.011 0.000 0.858 388 T HN 0.642 nan 8.240 nan 0.000 0.483 389 S N 1.338 117.042 115.700 0.007 0.000 2.453 389 S HA -0.103 4.366 4.470 -0.000 0.000 0.231 389 S C 2.098 176.713 174.600 0.024 0.000 1.005 389 S CA 0.476 58.684 58.200 0.014 0.000 0.949 389 S CB -0.494 62.713 63.200 0.011 0.000 0.774 389 S HN 0.643 nan 8.310 nan 0.000 0.510 390 Q N 0.433 120.248 119.800 0.024 0.000 2.016 390 Q HA 0.042 4.382 4.340 -0.000 0.000 0.200 390 Q C 2.212 178.250 176.000 0.062 0.000 0.978 390 Q CA 1.465 57.290 55.803 0.037 0.000 0.833 390 Q CB -0.379 28.379 28.738 0.033 0.000 0.895 390 Q HN 0.486 nan 8.270 nan 0.000 0.427 391 L N 1.117 122.375 121.223 0.057 0.000 2.093 391 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 391 L C 1.434 178.383 176.870 0.132 0.000 1.085 391 L CA 1.714 56.612 54.840 0.097 0.000 0.755 391 L CB -0.292 41.766 42.059 -0.001 0.000 0.904 391 L HN 0.104 nan 8.230 nan 0.000 0.435 392 D N -0.470 119.973 120.400 0.071 0.000 2.123 392 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 392 D C 1.797 178.140 176.300 0.072 0.000 0.992 392 D CA 1.546 55.586 54.000 0.066 0.000 0.833 392 D CB -0.130 40.691 40.800 0.034 0.000 0.954 392 D HN 0.438 nan 8.370 nan 0.000 0.455 393 D N -0.471 119.964 120.400 0.057 0.000 2.144 393 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 393 D C 1.976 178.296 176.300 0.033 0.000 0.978 393 D CA 0.602 54.624 54.000 0.037 0.000 0.833 393 D CB 0.211 41.026 40.800 0.026 0.000 0.961 393 D HN -0.018 nan 8.370 nan 0.000 0.470 394 V N -0.499 119.455 119.914 0.066 0.000 2.346 394 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 394 V C 1.606 177.650 176.094 -0.083 0.000 1.037 394 V CA 1.351 63.654 62.300 0.004 0.000 1.029 394 V CB -0.543 31.314 31.823 0.056 0.000 0.663 394 V HN 0.257 nan 8.190 nan 0.000 0.454 395 Y N 0.234 120.531 120.300 -0.005 0.000 2.497 395 Y HA 0.520 5.070 4.550 -0.000 0.000 0.265 395 Y C 1.313 177.207 175.900 -0.011 0.000 1.111 395 Y CA 0.452 58.548 58.100 -0.006 0.000 1.288 395 Y CB 0.276 38.738 38.460 0.004 0.000 1.082 395 Y HN 0.350 nan 8.280 nan 0.000 0.536 396 G N -0.580 108.298 108.800 0.130 0.000 2.650 396 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 396 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 396 G C 0.360 175.305 174.900 0.075 0.000 1.205 396 G CA -0.507 44.634 45.100 0.068 0.000 0.781 396 G HN -0.062 nan 8.290 nan 0.000 0.648 397 V N 1.977 121.916 119.914 0.042 0.000 2.255 397 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 397 V C 3.037 179.149 176.094 0.030 0.000 1.051 397 V CA 2.649 64.968 62.300 0.032 0.000 1.018 397 V CB -0.502 31.331 31.823 0.018 0.000 0.641 397 V HN 0.751 nan 8.190 nan 0.000 0.445 398 K N -0.080 120.337 120.400 0.028 0.000 2.009 398 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 398 K C 2.148 178.768 176.600 0.033 0.000 1.049 398 K CA 1.797 58.099 56.287 0.024 0.000 0.929 398 K CB -0.427 32.084 32.500 0.019 0.000 0.714 398 K HN 0.563 nan 8.250 nan 0.000 0.440 399 E N -0.002 120.232 120.200 0.057 0.000 2.204 399 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 399 E C 1.765 178.396 176.600 0.052 0.000 0.989 399 E CA 0.822 57.272 56.400 0.082 0.000 0.824 399 E CB 0.063 29.853 29.700 0.151 0.000 0.756 399 E HN 0.310 nan 8.360 nan 0.000 0.477 400 A N 0.695 123.544 122.820 0.049 0.000 1.897 400 A HA -0.233 4.086 4.320 -0.000 0.000 0.215 400 A C 2.117 179.676 177.584 -0.042 0.000 1.181 400 A CA 1.489 53.508 52.037 -0.030 0.000 0.620 400 A CB -0.545 18.467 19.000 0.020 0.000 0.821 400 A HN 0.314 nan 8.150 nan 0.000 0.443 401 Q N -0.546 119.250 119.800 -0.007 0.000 2.061 401 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 401 Q C 2.003 178.006 176.000 0.005 0.000 0.984 401 Q CA 2.283 58.086 55.803 -0.001 0.000 0.846 401 Q CB -0.356 28.386 28.738 0.006 0.000 0.902 401 Q HN 0.586 nan 8.270 nan 0.000 0.421 402 T N 1.552 116.109 114.554 0.005 0.000 2.746 402 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 402 T C 1.747 176.454 174.700 0.011 0.000 1.039 402 T CA 1.173 63.279 62.100 0.010 0.000 1.142 402 T CB -0.262 68.612 68.868 0.010 0.000 0.866 402 T HN 0.179 nan 8.240 nan 0.000 0.444 403 L N 1.089 122.299 121.223 -0.022 0.000 1.994 403 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 403 L C 2.554 179.502 176.870 0.130 0.000 1.071 403 L CA 1.726 56.554 54.840 -0.020 0.000 0.745 403 L CB -0.455 41.464 42.059 -0.233 0.000 0.892 403 L HN 0.081 nan 8.230 nan 0.000 0.431 404 R N -1.043 119.489 120.500 0.053 0.000 2.096 404 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 404 R C 2.149 178.559 176.300 0.182 0.000 1.127 404 R CA 1.183 57.332 56.100 0.081 0.000 0.968 404 R CB -0.559 29.731 30.300 -0.017 0.000 0.861 404 R HN 0.485 nan 8.270 nan 0.000 0.440 405 A N 0.265 123.153 122.820 0.112 0.000 2.070 405 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 405 A C 1.946 179.597 177.584 0.112 0.000 1.159 405 A CA 1.404 53.498 52.037 0.095 0.000 0.656 405 A CB -0.161 18.868 19.000 0.050 0.000 0.800 405 A HN 0.186 nan 8.150 nan 0.000 0.453 406 S N -1.061 114.713 115.700 0.123 0.000 2.607 406 S HA 0.184 4.654 4.470 -0.000 0.000 0.224 406 S C -0.286 174.295 174.600 -0.032 0.000 0.969 406 S CA 0.032 58.242 58.200 0.017 0.000 0.927 406 S CB -0.300 62.843 63.200 -0.094 0.000 0.772 406 S HN 0.443 nan 8.310 nan 0.000 0.533 407 F N 2.312 122.301 119.950 0.066 0.000 2.313 407 F HA 0.402 4.929 4.527 -0.000 0.000 0.369 407 F C 1.277 177.125 175.800 0.080 0.000 1.109 407 F CA -0.988 57.076 58.000 0.107 0.000 1.132 407 F CB 0.738 39.781 39.000 0.073 0.000 1.291 407 F HN -0.171 nan 8.300 nan 0.000 0.496 408 R N 0.368 120.977 120.500 0.181 0.000 2.115 408 R HA -0.003 4.337 4.340 -0.000 0.000 0.230 408 R C 0.308 176.699 176.300 0.153 0.000 1.111 408 R CA 0.440 56.616 56.100 0.127 0.000 0.976 408 R CB -0.472 29.865 30.300 0.062 0.000 0.870 408 R HN 0.336 nan 8.270 nan 0.000 0.445 409 S N 1.163 116.982 115.700 0.199 0.000 2.462 409 S HA 0.449 4.919 4.470 -0.000 0.000 0.294 409 S C -0.510 174.178 174.600 0.147 0.000 1.144 409 S CA -0.702 57.613 58.200 0.192 0.000 1.088 409 S CB 1.621 64.991 63.200 0.284 0.000 1.009 409 S HN 0.053 nan 8.310 nan 0.000 0.484 410 L N 4.099 125.354 121.223 0.053 0.000 2.381 410 L HA 0.787 5.127 4.340 -0.000 0.000 0.268 410 L C -1.418 175.428 176.870 -0.040 0.000 0.997 410 L CA -0.487 54.362 54.840 0.016 0.000 0.818 410 L CB 1.858 43.927 42.059 0.017 0.000 1.310 410 L HN 0.445 nan 8.230 nan 0.000 0.416 411 V N 5.124 125.026 119.914 -0.021 0.000 2.525 411 V HA 0.491 4.611 4.120 -0.000 0.000 0.299 411 V C -0.747 175.356 176.094 0.016 0.000 1.034 411 V CA -0.676 61.613 62.300 -0.018 0.000 0.863 411 V CB 1.937 33.751 31.823 -0.015 0.000 0.999 411 V HN 0.514 nan 8.190 nan 0.000 0.423 412 V N 6.546 126.495 119.914 0.058 0.000 2.347 412 V HA 0.356 4.476 4.120 -0.000 0.000 0.280 412 V C 0.646 176.807 176.094 0.111 0.000 1.021 412 V CA -0.144 62.202 62.300 0.077 0.000 0.847 412 V CB 1.584 33.452 31.823 0.075 0.000 0.990 412 V HN 0.768 nan 8.190 nan 0.000 0.444 413 L N 3.979 125.243 121.223 0.068 0.000 2.607 413 L HA 0.459 4.799 4.340 -0.000 0.000 0.228 413 L C 1.081 177.988 176.870 0.061 0.000 1.123 413 L CA 0.514 55.389 54.840 0.058 0.000 0.890 413 L CB -0.028 42.052 42.059 0.035 0.000 1.103 413 L HN 0.980 nan 8.230 nan 0.000 0.468 414 G N -0.061 108.782 108.800 0.072 0.000 3.019 414 G HA2 0.024 3.984 3.960 -0.000 0.000 0.686 414 G HA3 0.024 3.984 3.960 -0.000 0.000 0.686 414 G C -0.254 174.667 174.900 0.035 0.000 1.056 414 G CA -0.491 44.646 45.100 0.062 0.000 0.774 414 G HN 0.366 nan 8.290 nan 0.000 0.583 415 G N -0.199 108.616 108.800 0.026 0.000 2.788 415 G HA2 0.872 4.832 3.960 -0.000 0.000 0.293 415 G HA3 0.872 4.832 3.960 -0.000 0.000 0.293 415 G C 0.345 175.253 174.900 0.013 0.000 1.305 415 G CA 0.567 45.676 45.100 0.016 0.000 1.005 415 G HN 1.793 nan 8.290 nan 0.000 0.496 416 S N -1.424 114.282 115.700 0.010 0.000 2.568 416 S HA 0.059 4.529 4.470 -0.000 0.000 0.282 416 S C 1.843 176.447 174.600 0.006 0.000 1.338 416 S CA -0.072 58.133 58.200 0.008 0.000 1.045 416 S CB 0.430 63.635 63.200 0.007 0.000 0.873 416 S HN 0.621 nan 8.310 nan 0.000 0.516 417 R N 1.563 122.066 120.500 0.005 0.000 2.307 417 R HA 0.013 4.353 4.340 -0.000 0.000 0.199 417 R C 1.563 177.864 176.300 0.002 0.000 1.000 417 R CA 1.228 57.330 56.100 0.003 0.000 1.023 417 R CB -1.024 29.277 30.300 0.003 0.000 0.908 417 R HN 0.691 nan 8.270 nan 0.000 0.473 418 T N -2.588 111.967 114.554 0.003 0.000 3.148 418 T HA -0.035 4.315 4.350 -0.000 0.000 0.253 418 T C 0.514 175.215 174.700 0.002 0.000 1.134 418 T CA 0.328 62.429 62.100 0.002 0.000 1.051 418 T CB 0.151 69.021 68.868 0.003 0.000 0.959 418 T HN 0.063 nan 8.240 nan 0.000 0.525 419 D N 2.193 122.593 120.400 0.001 0.000 3.018 419 D HA 0.267 4.907 4.640 -0.000 0.000 0.331 419 D C -1.329 174.970 176.300 -0.003 0.000 1.334 419 D CA -2.475 51.525 54.000 0.000 0.000 0.900 419 D CB 0.930 41.730 40.800 0.001 0.000 1.059 419 D HN 0.126 nan 8.370 nan 0.000 0.498 420 P HA -0.186 nan 4.420 nan 0.000 0.220 420 P C 1.112 178.407 177.300 -0.009 0.000 1.144 420 P CA 0.831 63.927 63.100 -0.006 0.000 0.800 420 P CB 0.555 32.251 31.700 -0.006 0.000 0.772 421 K N -0.597 119.799 120.400 -0.007 0.000 2.062 421 K HA -0.015 4.304 4.320 -0.000 0.000 0.205 421 K C 2.198 178.792 176.600 -0.011 0.000 1.051 421 K CA 1.538 57.821 56.287 -0.008 0.000 0.941 421 K CB -0.580 31.917 32.500 -0.005 0.000 0.719 421 K HN 0.118 nan 8.250 nan 0.000 0.440 422 T N 1.613 116.161 114.554 -0.009 0.000 2.904 422 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 422 T C 1.495 176.185 174.700 -0.017 0.000 1.059 422 T CA 0.938 63.031 62.100 -0.012 0.000 1.137 422 T CB -0.148 68.714 68.868 -0.009 0.000 0.879 422 T HN 0.161 nan 8.240 nan 0.000 0.467 423 N N 1.254 119.944 118.700 -0.015 0.000 2.223 423 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 423 N C 1.907 177.399 175.510 -0.031 0.000 1.016 423 N CA 0.988 54.025 53.050 -0.021 0.000 0.863 423 N CB -0.289 38.189 38.487 -0.016 0.000 0.983 423 N HN 0.468 nan 8.380 nan 0.000 0.429 424 E N 1.383 121.567 120.200 -0.025 0.000 2.072 424 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 424 E C 0.987 177.569 176.600 -0.030 0.000 0.985 424 E CA 1.327 57.711 56.400 -0.028 0.000 0.801 424 E CB -0.210 29.478 29.700 -0.020 0.000 0.750 424 E HN 0.138 nan 8.360 nan 0.000 0.452 425 D N -0.303 120.082 120.400 -0.025 0.000 2.123 425 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 425 D C 1.786 178.068 176.300 -0.031 0.000 0.992 425 D CA 1.176 55.161 54.000 -0.024 0.000 0.833 425 D CB -0.154 40.634 40.800 -0.020 0.000 0.954 425 D HN 0.270 nan 8.370 nan 0.000 0.455 426 M N 0.125 119.703 119.600 -0.037 0.000 2.200 426 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 426 M C 2.310 178.567 176.300 -0.071 0.000 1.066 426 M CA 0.723 55.995 55.300 -0.047 0.000 1.127 426 M CB -1.014 31.561 32.600 -0.043 0.000 1.379 426 M HN -0.052 nan 8.290 nan 0.000 0.420 427 S N 0.686 116.341 115.700 -0.075 0.000 2.368 427 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 427 S C 1.955 176.509 174.600 -0.077 0.000 1.030 427 S CA 0.844 58.987 58.200 -0.096 0.000 0.999 427 S CB -0.145 63.007 63.200 -0.080 0.000 0.844 427 S HN 0.477 nan 8.310 nan 0.000 0.459 428 L N 0.763 121.954 121.223 -0.053 0.000 2.093 428 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 428 L C 2.393 179.243 176.870 -0.033 0.000 1.085 428 L CA 1.402 56.218 54.840 -0.039 0.000 0.755 428 L CB -0.544 41.498 42.059 -0.028 0.000 0.904 428 L HN 0.362 nan 8.230 nan 0.000 0.435 429 S N -0.067 115.613 115.700 -0.033 0.000 2.368 429 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 429 S C 1.737 176.323 174.600 -0.024 0.000 1.029 429 S CA 0.747 58.935 58.200 -0.021 0.000 0.988 429 S CB -0.146 63.043 63.200 -0.019 0.000 0.838 429 S HN 0.215 nan 8.310 nan 0.000 0.462 430 L N 1.100 122.293 121.223 -0.050 0.000 2.191 430 L HA 0.137 4.477 4.340 -0.000 0.000 0.212 430 L C 1.432 178.281 176.870 -0.036 0.000 1.103 430 L CA 1.413 56.219 54.840 -0.057 0.000 0.769 430 L CB -1.853 40.127 42.059 -0.132 0.000 0.908 430 L HN 0.480 nan 8.230 nan 0.000 0.438 431 G N -0.586 108.189 108.800 -0.041 0.000 2.746 431 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.685 431 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.685 431 G C -0.335 174.533 174.900 -0.052 0.000 1.350 431 G CA -0.557 44.525 45.100 -0.029 0.000 0.837 431 G HN 0.210 nan 8.290 nan 0.000 0.564 432 E N -0.223 119.952 120.200 -0.042 0.000 2.243 432 E HA 0.653 5.003 4.350 -0.000 0.000 0.260 432 E C 0.240 176.834 176.600 -0.010 0.000 0.985 432 E CA -0.587 55.770 56.400 -0.072 0.000 0.858 432 E CB 1.463 31.134 29.700 -0.047 0.000 1.210 432 E HN 0.807 nan 8.360 nan 0.000 0.411 433 H N -1.403 117.591 119.070 -0.127 0.000 2.895 433 H HA 0.527 5.082 4.556 -0.000 0.000 0.373 433 H C -1.188 173.932 175.328 -0.347 0.000 1.174 433 H CA -1.026 54.875 56.048 -0.245 0.000 1.144 433 H CB 2.021 31.639 29.762 -0.240 0.000 1.793 433 H HN 0.389 nan 8.280 nan 0.000 0.551 434 E N 2.408 122.376 120.200 -0.387 0.000 2.145 434 E HA 0.447 4.797 4.350 -0.000 0.000 0.270 434 E C -1.547 174.647 176.600 -0.677 0.000 0.906 434 E CA -0.832 55.340 56.400 -0.382 0.000 0.761 434 E CB 2.044 31.576 29.700 -0.280 0.000 1.116 434 E HN 0.408 nan 8.360 nan 0.000 0.408 435 V N 3.593 123.150 119.914 -0.596 0.000 3.001 435 V HA 0.322 4.442 4.120 -0.000 0.000 0.314 435 V C -0.839 175.086 176.094 -0.283 0.000 1.099 435 V CA -0.741 61.171 62.300 -0.647 0.000 0.989 435 V CB 2.250 33.402 31.823 -1.119 0.000 1.040 435 V HN 0.729 nan 8.190 nan 0.000 0.434 436 E N 2.648 122.765 120.200 -0.139 0.000 2.102 436 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 436 E C -0.460 176.178 176.600 0.064 0.000 0.894 436 E CA -0.384 56.000 56.400 -0.027 0.000 0.746 436 E CB 1.086 30.783 29.700 -0.005 0.000 1.129 436 E HN 0.467 nan 8.360 nan 0.000 0.416 437 R N 3.004 123.540 120.500 0.060 0.000 2.607 437 R HA 0.377 4.717 4.340 -0.000 0.000 0.261 437 R C -0.830 175.521 176.300 0.085 0.000 1.051 437 R CA -0.138 56.031 56.100 0.116 0.000 1.110 437 R CB 0.827 31.198 30.300 0.119 0.000 1.158 437 R HN 0.590 nan 8.270 nan 0.000 0.543 454 L N 0.898 122.128 121.223 0.012 0.000 2.945 454 L HA 0.842 5.182 4.340 -0.000 0.000 0.171 454 L C 0.675 177.552 176.870 0.012 0.000 1.669 454 L CA -0.419 54.430 54.840 0.016 0.000 1.963 454 L CB 0.586 42.654 42.059 0.014 0.000 2.719 454 L HN 0.881 nan 8.230 nan 0.000 0.570 455 E N -0.511 119.694 120.200 0.008 0.000 2.935 455 E HA 0.297 4.647 4.350 -0.000 0.000 0.321 455 E C -1.576 175.016 176.600 -0.013 0.000 1.070 455 E CA -0.889 55.512 56.400 0.001 0.000 0.882 455 E CB 0.934 30.640 29.700 0.010 0.000 1.224 455 E HN 0.203 nan 8.360 nan 0.000 0.445 456 R N 1.236 121.720 120.500 -0.028 0.000 2.297 456 R HA 0.652 4.992 4.340 -0.000 0.000 0.308 456 R C -0.805 175.464 176.300 -0.052 0.000 1.029 456 R CA -0.583 55.483 56.100 -0.056 0.000 0.929 456 R CB 1.825 32.088 30.300 -0.061 0.000 1.046 456 R HN 0.404 nan 8.270 nan 0.000 0.461 457 V N 3.135 123.004 119.914 -0.075 0.000 2.709 457 V HA 0.506 4.626 4.120 -0.000 0.000 0.308 457 V C -0.253 175.805 176.094 -0.059 0.000 1.062 457 V CA -0.928 61.345 62.300 -0.045 0.000 0.901 457 V CB 2.208 34.027 31.823 -0.007 0.000 1.003 457 V HN 0.601 nan 8.190 nan 0.000 0.425 458 R N 3.365 123.850 120.500 -0.025 0.000 2.338 458 R HA 0.674 5.014 4.340 -0.000 0.000 0.317 458 R C -0.696 175.617 176.300 0.023 0.000 0.968 458 R CA -0.334 55.759 56.100 -0.011 0.000 0.849 458 R CB 1.311 31.593 30.300 -0.029 0.000 1.128 458 R HN 0.981 nan 8.270 nan 0.000 0.448 459 E N 3.117 123.345 120.200 0.046 0.000 2.430 459 E HA 0.392 4.741 4.350 -0.000 0.000 0.279 459 E C -1.062 175.464 176.600 -0.123 0.000 1.003 459 E CA -1.261 55.136 56.400 -0.004 0.000 0.801 459 E CB 1.138 30.883 29.700 0.075 0.000 1.313 459 E HN 0.159 nan 8.360 nan 0.000 0.459 460 R N 0.906 121.353 120.500 -0.088 0.000 2.491 460 R HA 0.126 4.466 4.340 -0.000 0.000 0.283 460 R C 0.909 177.120 176.300 -0.148 0.000 1.072 460 R CA -0.148 55.884 56.100 -0.115 0.000 1.048 460 R CB 0.896 31.153 30.300 -0.073 0.000 0.983 460 R HN 0.516 nan 8.270 nan 0.000 0.450 461 V N 2.517 122.317 119.914 -0.190 0.000 2.427 461 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 461 V C 0.879 177.002 176.094 0.049 0.000 1.051 461 V CA 1.353 63.608 62.300 -0.075 0.000 1.048 461 V CB 0.101 31.892 31.823 -0.053 0.000 0.666 461 V HN 0.385 nan 8.190 nan 0.000 0.456 462 V N 0.931 120.785 119.914 -0.100 0.000 2.443 462 V HA 0.373 4.493 4.120 -0.000 0.000 0.293 462 V C -0.167 175.836 176.094 -0.151 0.000 1.021 462 V CA -0.459 61.723 62.300 -0.196 0.000 0.848 462 V CB 1.604 33.123 31.823 -0.507 0.000 0.998 462 V HN 0.242 nan 8.190 nan 0.000 0.424 463 M N 5.529 125.068 119.600 -0.102 0.000 2.243 463 M HA 0.216 4.696 4.480 -0.000 0.000 0.341 463 M C -1.350 174.906 176.300 -0.072 0.000 1.130 463 M CA -1.245 54.012 55.300 -0.072 0.000 1.162 463 M CB 1.203 33.773 32.600 -0.049 0.000 1.497 463 M HN 0.325 nan 8.290 nan 0.000 0.456 464 P HA -0.182 nan 4.420 nan 0.000 0.216 464 P C 0.829 178.111 177.300 -0.030 0.000 1.153 464 P CA 1.730 64.803 63.100 -0.044 0.000 0.858 464 P CB 0.005 31.686 31.700 -0.032 0.000 0.789 465 A N -0.189 122.617 122.820 -0.023 0.000 1.972 465 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 465 A C 2.070 179.653 177.584 -0.001 0.000 1.169 465 A CA 1.542 53.572 52.037 -0.011 0.000 0.635 465 A CB -1.063 17.930 19.000 -0.012 0.000 0.810 465 A HN 0.224 nan 8.150 nan 0.000 0.446 466 E N -0.407 119.789 120.200 -0.006 0.000 2.152 466 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 466 E C 1.745 178.386 176.600 0.067 0.000 0.983 466 E CA 0.979 57.397 56.400 0.030 0.000 0.818 466 E CB -0.210 29.505 29.700 0.024 0.000 0.758 466 E HN 0.730 nan 8.360 nan 0.000 0.467 467 I N 0.962 121.545 120.570 0.022 0.000 2.406 467 I HA -0.148 4.022 4.170 -0.000 0.000 0.249 467 I C 2.501 178.644 176.117 0.043 0.000 1.122 467 I CA 0.619 61.947 61.300 0.046 0.000 1.431 467 I CB -0.204 37.792 38.000 -0.008 0.000 1.087 467 I HN 0.028 nan 8.210 nan 0.000 0.424 468 A N 0.646 123.478 122.820 0.021 0.000 2.015 468 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 468 A C 1.828 179.425 177.584 0.022 0.000 1.163 468 A CA 1.376 53.423 52.037 0.017 0.000 0.646 468 A CB -0.426 18.578 19.000 0.006 0.000 0.806 468 A HN 0.422 nan 8.150 nan 0.000 0.448 469 N N -0.310 118.407 118.700 0.028 0.000 2.230 469 N HA 0.192 4.932 4.740 -0.000 0.000 0.202 469 N C -0.191 175.339 175.510 0.034 0.000 1.119 469 N CA -0.055 53.011 53.050 0.026 0.000 0.851 469 N CB 0.260 38.759 38.487 0.020 0.000 0.990 469 N HN 0.396 nan 8.380 nan 0.000 0.497 470 L N 2.944 124.198 121.223 0.052 0.000 2.485 470 L HA 0.119 4.459 4.340 -0.000 0.000 0.275 470 L C -1.562 175.323 176.870 0.025 0.000 1.207 470 L CA -0.900 53.971 54.840 0.052 0.000 0.855 470 L CB 0.310 42.419 42.059 0.083 0.000 1.114 470 L HN -0.054 nan 8.230 nan 0.000 0.485 471 P HA 0.204 nan 4.420 nan 0.000 0.278 471 P C -1.130 176.172 177.300 0.003 0.000 1.266 471 P CA -0.685 62.417 63.100 0.004 0.000 0.807 471 P CB 0.803 32.501 31.700 -0.004 0.000 1.094 472 D N -0.398 120.003 120.400 0.003 0.000 2.362 472 D HA 0.124 4.764 4.640 -0.000 0.000 0.238 472 D C 0.636 176.936 176.300 -0.001 0.000 1.212 472 D CA 0.147 54.149 54.000 0.004 0.000 0.902 472 D CB -0.145 40.658 40.800 0.004 0.000 1.180 472 D HN 0.299 nan 8.370 nan 0.000 0.445 473 L N -0.743 120.481 121.223 0.002 0.000 3.976 473 L HA -0.252 4.088 4.340 -0.000 0.000 0.418 473 L C -0.411 176.451 176.870 -0.014 0.000 1.177 473 L CA 0.470 55.310 54.840 -0.000 0.000 0.968 473 L CB -2.186 39.873 42.059 0.002 0.000 1.933 473 L HN 0.399 nan 8.230 nan 0.000 0.976 474 T N -0.338 114.202 114.554 -0.023 0.000 2.841 474 T HA 0.801 5.151 4.350 -0.000 0.000 0.285 474 T C -0.023 174.638 174.700 -0.066 0.000 0.991 474 T CA 0.109 62.173 62.100 -0.060 0.000 0.966 474 T CB 2.090 70.915 68.868 -0.072 0.000 0.962 474 T HN 0.370 nan 8.240 nan 0.000 0.438 475 A N 2.624 125.379 122.820 -0.108 0.000 2.498 475 A HA 0.804 5.124 4.320 -0.000 0.000 0.298 475 A C -1.965 175.518 177.584 -0.168 0.000 1.075 475 A CA -0.765 51.228 52.037 -0.074 0.000 0.714 475 A CB 1.204 20.192 19.000 -0.020 0.000 1.299 475 A HN 0.796 nan 8.150 nan 0.000 0.407 476 Y N 0.729 121.015 120.300 -0.023 0.000 2.353 476 Y HA 0.465 5.015 4.550 -0.000 0.000 0.340 476 Y C 0.027 175.883 175.900 -0.072 0.000 0.972 476 Y CA -0.257 57.826 58.100 -0.028 0.000 1.157 476 Y CB 1.870 40.322 38.460 -0.013 0.000 1.157 476 Y HN 0.362 nan 8.280 nan 0.000 0.495 477 V N 3.414 123.332 119.914 0.007 0.000 2.350 477 V HA 0.591 4.711 4.120 -0.000 0.000 0.276 477 V C 0.317 176.297 176.094 -0.190 0.000 1.028 477 V CA -0.604 61.586 62.300 -0.183 0.000 0.860 477 V CB 1.267 32.908 31.823 -0.303 0.000 0.990 477 V HN 0.928 nan 8.190 nan 0.000 0.453 478 G N 4.545 113.218 108.800 -0.212 0.000 3.114 478 G HA2 0.551 4.510 3.960 -0.000 0.000 0.320 478 G HA3 0.551 4.510 3.960 -0.000 0.000 0.320 478 G C -0.654 174.200 174.900 -0.076 0.000 1.453 478 G CA -0.316 44.733 45.100 -0.084 0.000 1.084 478 G HN 0.362 nan 8.290 nan 0.000 0.516 479 F N 1.742 121.737 119.950 0.074 0.000 2.490 479 F HA 0.442 4.969 4.527 -0.000 0.000 0.336 479 F C 1.383 177.217 175.800 0.056 0.000 1.178 479 F CA 0.128 58.169 58.000 0.068 0.000 1.301 479 F CB 0.849 39.885 39.000 0.059 0.000 1.175 479 F HN 0.551 nan 8.300 nan 0.000 0.593 480 A N 1.662 124.657 122.820 0.291 0.000 2.555 480 A HA 0.439 4.758 4.320 -0.000 0.000 0.233 480 A C 0.887 178.543 177.584 0.120 0.000 1.060 480 A CA 0.418 52.549 52.037 0.157 0.000 0.759 480 A CB -0.953 18.114 19.000 0.111 0.000 0.995 480 A HN 1.681 nan 8.150 nan 0.000 0.506 481 G N 0.924 109.773 108.800 0.081 0.000 2.593 481 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.237 481 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.237 481 G C 0.058 174.998 174.900 0.066 0.000 1.312 481 G CA 0.297 45.433 45.100 0.060 0.000 0.896 481 G HN 1.705 nan 8.290 nan 0.000 0.574 482 N N 1.659 120.390 118.700 0.052 0.000 3.124 482 N HA 0.354 5.094 4.740 -0.000 0.000 0.284 482 N C 0.387 175.929 175.510 0.053 0.000 1.209 482 N CA 0.048 53.128 53.050 0.050 0.000 1.149 482 N CB -0.172 38.336 38.487 0.036 0.000 1.434 482 N HN 0.596 nan 8.380 nan 0.000 0.529 483 R N 1.372 121.918 120.500 0.077 0.000 2.854 483 R HA 0.596 4.936 4.340 -0.000 0.000 0.271 483 R C -2.577 173.772 176.300 0.083 0.000 0.994 483 R CA -1.605 54.549 56.100 0.089 0.000 0.945 483 R CB 0.922 31.315 30.300 0.156 0.000 1.194 483 R HN 0.320 nan 8.270 nan 0.000 0.476 484 P HA 0.415 nan 4.420 nan 0.000 0.280 484 P C -0.278 177.080 177.300 0.098 0.000 1.272 484 P CA -0.616 62.519 63.100 0.058 0.000 0.819 484 P CB 0.946 32.658 31.700 0.021 0.000 1.122 485 I N -2.273 118.360 120.570 0.105 0.000 2.676 485 I HA 0.856 5.026 4.170 -0.000 0.000 0.309 485 I C -0.677 175.526 176.117 0.144 0.000 0.990 485 I CA -1.214 60.157 61.300 0.119 0.000 1.168 485 I CB 1.830 39.906 38.000 0.128 0.000 1.343 485 I HN 0.362 nan 8.210 nan 0.000 0.482 486 A N 3.530 126.429 122.820 0.131 0.000 2.486 486 A HA 0.511 4.831 4.320 -0.000 0.000 0.300 486 A C -0.997 176.597 177.584 0.016 0.000 1.048 486 A CA -0.859 51.238 52.037 0.101 0.000 0.696 486 A CB 1.576 20.619 19.000 0.073 0.000 1.278 486 A HN 0.801 nan 8.150 nan 0.000 0.405 487 K N 1.893 122.242 120.400 -0.084 0.000 2.285 487 K HA 0.548 4.868 4.320 -0.000 0.000 0.286 487 K C -1.172 175.310 176.600 -0.196 0.000 1.072 487 K CA -0.073 55.989 56.287 -0.375 0.000 0.913 487 K CB 0.502 32.724 32.500 -0.464 0.000 1.067 487 K HN 0.460 nan 8.250 nan 0.000 0.479 488 V N 6.544 126.350 119.914 -0.180 0.000 2.823 488 V HA 0.501 4.621 4.120 -0.000 0.000 0.312 488 V C -2.287 173.758 176.094 -0.082 0.000 1.072 488 V CA -1.867 60.380 62.300 -0.088 0.000 0.937 488 V CB 1.843 33.644 31.823 -0.035 0.000 1.013 488 V HN 0.854 nan 8.190 nan 0.000 0.430 489 P HA 0.441 nan 4.420 nan 0.000 0.290 489 P C -1.243 176.051 177.300 -0.010 0.000 1.275 489 P CA -0.497 62.583 63.100 -0.034 0.000 0.841 489 P CB 1.810 33.494 31.700 -0.026 0.000 1.042 490 L N 2.608 123.829 121.223 -0.004 0.000 2.282 490 L HA 0.310 4.650 4.340 -0.000 0.000 0.288 490 L C 1.063 177.944 176.870 0.018 0.000 1.033 490 L CA -0.530 54.319 54.840 0.016 0.000 0.807 490 L CB 0.906 42.977 42.059 0.020 0.000 1.209 490 L HN 0.484 nan 8.230 nan 0.000 0.423 491 E N 4.992 125.208 120.200 0.027 0.000 2.175 491 E HA 0.356 4.706 4.350 -0.000 0.000 0.278 491 E C -0.778 175.837 176.600 0.026 0.000 0.969 491 E CA -0.726 55.684 56.400 0.017 0.000 0.796 491 E CB 1.621 31.328 29.700 0.011 0.000 1.104 491 E HN 0.502 nan 8.360 nan 0.000 0.395 492 I N 3.882 124.460 120.570 0.013 0.000 2.311 492 I HA 0.084 4.254 4.170 -0.000 0.000 0.297 492 I C 0.529 176.632 176.117 -0.023 0.000 1.131 492 I CA -0.186 61.126 61.300 0.020 0.000 1.289 492 I CB -0.021 37.986 38.000 0.012 0.000 1.446 492 I HN 0.478 nan 8.210 nan 0.000 0.524 493 K N 5.367 125.744 120.400 -0.037 0.000 2.218 493 K HA 0.216 4.536 4.320 -0.000 0.000 0.276 493 K C -0.255 176.121 176.600 -0.373 0.000 1.022 493 K CA -0.648 55.490 56.287 -0.248 0.000 0.946 493 K CB 0.850 33.126 32.500 -0.373 0.000 1.000 493 K HN 0.388 nan 8.250 nan 0.000 0.468 494 Q N 2.980 122.509 119.800 -0.451 0.000 2.243 494 Q HA 0.292 4.632 4.340 -0.000 0.000 0.252 494 Q C -1.074 174.573 176.000 -0.590 0.000 0.909 494 Q CA -0.083 55.518 55.803 -0.336 0.000 0.922 494 Q CB 0.928 29.552 28.738 -0.190 0.000 1.215 494 Q HN 0.403 nan 8.270 nan 0.000 0.427 495 F N 0.290 120.134 119.950 -0.176 0.000 2.520 495 F HA 0.568 5.095 4.527 -0.000 0.000 0.322 495 F C 0.424 176.102 175.800 -0.203 0.000 1.103 495 F CA -1.154 56.707 58.000 -0.231 0.000 0.926 495 F CB 1.413 40.201 39.000 -0.354 0.000 1.154 495 F HN 0.478 nan 8.300 nan 0.000 0.453 496 A N 2.375 125.189 122.820 -0.009 0.000 2.388 496 A HA 0.280 4.600 4.320 -0.000 0.000 0.257 496 A C -0.019 177.524 177.584 -0.069 0.000 1.095 496 A CA -0.621 51.392 52.037 -0.040 0.000 0.791 496 A CB -0.016 18.963 19.000 -0.035 0.000 1.029 496 A HN 0.889 nan 8.150 nan 0.000 0.489 497 N N 1.265 119.920 118.700 -0.075 0.000 2.421 497 N HA 0.148 4.888 4.740 -0.000 0.000 0.260 497 N C 0.426 175.888 175.510 -0.081 0.000 1.173 497 N CA -0.175 52.816 53.050 -0.097 0.000 0.960 497 N CB 0.470 38.908 38.487 -0.082 0.000 1.273 497 N HN 0.648 nan 8.380 nan 0.000 0.497 498 R N 1.789 122.234 120.500 -0.091 0.000 2.721 498 R HA 0.222 4.561 4.340 -0.000 0.000 0.296 498 R C -0.411 175.843 176.300 -0.077 0.000 1.174 498 R CA -0.180 55.882 56.100 -0.062 0.000 1.129 498 R CB 0.036 30.316 30.300 -0.033 0.000 1.316 498 R HN 0.515 nan 8.270 nan 0.000 0.571 499 Q N 0.525 120.269 119.800 -0.092 0.000 2.898 499 Q HA 0.123 4.463 4.340 -0.000 0.000 0.228 499 Q C -3.008 172.933 176.000 -0.099 0.000 1.012 499 Q CA -1.402 54.341 55.803 -0.100 0.000 0.972 499 Q CB 2.288 30.945 28.738 -0.135 0.000 2.038 499 Q HN 0.123 nan 8.270 nan 0.000 0.497 500 P HA 0.074 nan 4.420 nan 0.000 0.276 500 P C -0.152 177.116 177.300 -0.053 0.000 1.235 500 P CA 0.277 63.342 63.100 -0.060 0.000 0.772 500 P CB 1.260 32.927 31.700 -0.054 0.000 0.871 501 A N 4.222 127.023 122.820 -0.031 0.000 1.940 501 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 501 A C 0.700 178.346 177.584 0.103 0.000 1.176 501 A CA 1.374 53.403 52.037 -0.012 0.000 0.631 501 A CB -0.694 18.290 19.000 -0.026 0.000 0.814 501 A HN 0.580 nan 8.150 nan 0.000 0.446 502 F N -1.621 118.289 119.950 -0.067 0.000 2.565 502 F HA 0.574 5.101 4.527 -0.000 0.000 0.313 502 F C -1.184 174.599 175.800 -0.028 0.000 1.091 502 F CA -1.670 56.307 58.000 -0.038 0.000 0.915 502 F CB 2.171 41.156 39.000 -0.025 0.000 1.208 502 F HN -0.203 nan 8.300 nan 0.000 0.453 503 V N 4.394 123.900 119.914 -0.679 0.000 2.398 503 V HA 0.226 4.346 4.120 -0.000 0.000 0.282 503 V C -0.565 175.013 176.094 -0.861 0.000 1.014 503 V CA -0.896 61.054 62.300 -0.583 0.000 0.838 503 V CB 1.103 32.757 31.823 -0.283 0.000 1.018 503 V HN 0.724 nan 8.190 nan 0.000 0.432 504 E N 3.342 123.071 120.200 -0.784 0.000 2.765 504 E HA 0.049 4.399 4.350 -0.000 0.000 0.256 504 E C 0.943 177.393 176.600 -0.251 0.000 0.935 504 E CA 0.816 56.921 56.400 -0.491 0.000 0.954 504 E CB 0.800 30.390 29.700 -0.183 0.000 0.908 504 E HN 0.806 nan 8.360 nan 0.000 0.500 505 G N 4.379 113.112 108.800 -0.113 0.000 2.865 505 G HA2 0.209 4.169 3.960 -0.000 0.000 0.292 505 G HA3 0.209 4.169 3.960 -0.000 0.000 0.292 505 G C 0.066 174.964 174.900 -0.002 0.000 0.800 505 G CA 0.166 45.247 45.100 -0.032 0.000 1.838 505 G HN 0.483 nan 8.290 nan 0.000 0.535 506 T N 0.000 114.537 114.554 -0.028 0.000 3.816 506 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 506 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 506 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658