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_G DATA FIRST_RESID 77 DATA SEQUENCE GEFGGAPFKR FLRGTRIVSG GKLKRMTREK AKQVTVAGVP MPRDAEPRHL DATA SEQUENCE LVNGATGTGK SVLLRELAYT GLLRGDRMVI VDPNGDMLSK FGRDKDIILN DATA SEQUENCE PYDQRTKGWS FFNEIRNDYD WQRYALSVVP RGKTDEAEEW ASYGRLLLRE DATA SEQUENCE TAKKLALIGT PSMRELFHWT TIATFDDLRG FLEGTLAESL FAGSNEASKA DATA SEQUENCE LTSARFVLSD KLPEHVTMPD GDFSIRSWLE DPNGGNLFIT WREDMGPALR DATA SEQUENCE PLISAWVDVV CTSILSLPEE PKRRLWLFID ELASLEKLAS LADALTKGRK DATA SEQUENCE AGLRVVAGLQ STSQLDDVYG VKEAQTLRAS FRSLVVLGGS RTDPKTNEDM DATA SEQUENCE SLSLGEHEVE RDXXXXXXXX XXXXXXXLER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 G HA2 0.000 nan 3.960 nan 0.000 0.244 77 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 77 G C 0.000 174.956 174.900 0.093 0.000 0.946 77 G CA 0.000 45.140 45.100 0.066 0.000 0.502 78 E N 0.544 120.824 120.200 0.133 0.000 2.318 78 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 78 E C 0.306 177.057 176.600 0.251 0.000 0.998 78 E CA -0.295 56.198 56.400 0.155 0.000 0.859 78 E CB -0.059 29.726 29.700 0.142 0.000 0.812 78 E HN 0.338 nan 8.360 nan 0.000 0.492 79 F N 2.679 122.730 119.950 0.168 0.000 2.444 79 F HA 0.508 5.035 4.527 -0.000 0.000 0.360 79 F C 1.413 177.319 175.800 0.176 0.000 1.106 79 F CA -0.499 57.634 58.000 0.222 0.000 1.170 79 F CB 1.300 40.524 39.000 0.373 0.000 1.113 79 F HN -0.061 nan 8.300 nan 0.000 0.521 80 G N 4.650 113.240 108.800 -0.350 0.000 2.479 80 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.220 80 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.220 80 G C 0.912 175.446 174.900 -0.609 0.000 1.115 80 G CA 0.544 45.417 45.100 -0.378 0.000 0.757 80 G HN 0.969 nan 8.290 nan 0.000 0.560 81 G N -0.394 107.535 108.800 -1.451 0.000 2.508 81 G HA2 0.521 4.481 3.960 -0.000 0.000 0.278 81 G HA3 0.521 4.481 3.960 -0.000 0.000 0.278 81 G C 0.272 175.057 174.900 -0.192 0.000 1.389 81 G CA 0.026 44.638 45.100 -0.814 0.000 1.050 81 G HN 0.589 nan 8.290 nan 0.000 0.522 82 A N 0.186 123.087 122.820 0.135 0.000 2.477 82 A HA 0.530 4.850 4.320 -0.000 0.000 0.246 82 A C -1.954 175.895 177.584 0.441 0.000 1.078 82 A CA -0.663 51.512 52.037 0.231 0.000 0.770 82 A CB -0.254 18.864 19.000 0.197 0.000 1.011 82 A HN 0.418 nan 8.150 nan 0.000 0.494 83 P HA 0.341 nan 4.420 nan 0.000 0.268 83 P C -0.674 176.815 177.300 0.316 0.000 1.208 83 P CA 0.327 63.593 63.100 0.277 0.000 0.777 83 P CB 0.250 32.006 31.700 0.092 0.000 0.875 84 F N -0.469 119.554 119.950 0.121 0.000 2.611 84 F HA 0.663 5.190 4.527 -0.000 0.000 0.324 84 F C 1.227 177.050 175.800 0.037 0.000 1.061 84 F CA -1.414 56.621 58.000 0.058 0.000 0.954 84 F CB 1.146 40.146 39.000 0.001 0.000 1.301 84 F HN 0.121 nan 8.300 nan 0.000 0.482 85 K N 0.553 121.052 120.400 0.165 0.000 2.098 85 K HA 0.222 4.542 4.320 -0.000 0.000 0.203 85 K C 0.146 176.812 176.600 0.110 0.000 1.051 85 K CA 0.782 57.111 56.287 0.071 0.000 0.957 85 K CB 0.261 32.804 32.500 0.072 0.000 0.738 85 K HN 0.712 nan 8.250 nan 0.000 0.447 86 R N -0.039 120.616 120.500 0.259 0.000 2.535 86 R HA 0.169 4.509 4.340 -0.000 0.000 0.274 86 R C -1.830 174.663 176.300 0.322 0.000 1.090 86 R CA -0.716 55.538 56.100 0.257 0.000 0.930 86 R CB 0.799 31.172 30.300 0.121 0.000 1.223 86 R HN 0.099 nan 8.270 nan 0.000 0.441 87 F N 5.749 125.817 119.950 0.197 0.000 2.420 87 F HA 0.271 4.798 4.527 -0.000 0.000 0.352 87 F C 0.045 175.810 175.800 -0.058 0.000 1.108 87 F CA -0.258 57.738 58.000 -0.007 0.000 1.162 87 F CB 0.781 39.831 39.000 0.084 0.000 1.118 87 F HN 0.563 nan 8.300 nan 0.000 0.510 88 L N 4.499 125.331 121.223 -0.651 0.000 2.187 88 L HA 0.283 4.623 4.340 -0.000 0.000 0.197 88 L C 0.068 176.599 176.870 -0.566 0.000 1.090 88 L CA 0.207 54.783 54.840 -0.440 0.000 0.781 88 L CB -0.120 41.734 42.059 -0.342 0.000 0.956 88 L HN 0.617 nan 8.230 nan 0.000 0.463 89 R N -1.760 118.177 120.500 -0.939 0.000 2.733 89 R HA 0.699 5.039 4.340 -0.000 0.000 0.272 89 R C -0.449 175.589 176.300 -0.437 0.000 1.029 89 R CA -0.291 55.501 56.100 -0.513 0.000 0.888 89 R CB 0.637 30.817 30.300 -0.201 0.000 1.251 89 R HN 0.166 nan 8.270 nan 0.000 0.464 90 G N -0.077 108.721 108.800 -0.002 0.000 2.451 90 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.208 90 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.208 90 G C -0.981 174.093 174.900 0.291 0.000 1.248 90 G CA -0.424 44.735 45.100 0.100 0.000 0.989 90 G HN 0.728 nan 8.290 nan 0.000 0.559 91 T N 2.350 117.034 114.554 0.218 0.000 2.814 91 T HA 0.517 4.867 4.350 -0.000 0.000 0.297 91 T C 0.748 175.632 174.700 0.305 0.000 0.956 91 T CA 0.399 62.619 62.100 0.200 0.000 1.123 91 T CB 0.257 69.183 68.868 0.097 0.000 0.902 91 T HN 0.722 nan 8.240 nan 0.000 0.528 92 R N 3.302 123.902 120.500 0.167 0.000 2.393 92 R HA 0.678 5.018 4.340 -0.000 0.000 0.310 92 R C -0.829 175.513 176.300 0.071 0.000 0.968 92 R CA -0.834 55.280 56.100 0.024 0.000 0.867 92 R CB 1.333 31.433 30.300 -0.334 0.000 1.124 92 R HN 0.552 nan 8.270 nan 0.000 0.450 93 I N 3.140 123.786 120.570 0.128 0.000 2.412 93 I HA 0.430 4.600 4.170 -0.000 0.000 0.296 93 I C -0.998 175.204 176.117 0.142 0.000 0.987 93 I CA -1.111 60.293 61.300 0.175 0.000 1.180 93 I CB 1.866 40.040 38.000 0.290 0.000 1.340 93 I HN 0.493 nan 8.210 nan 0.000 0.455 94 V N 5.621 125.608 119.914 0.120 0.000 3.141 94 V HA 0.491 4.611 4.120 -0.000 0.000 0.312 94 V C -0.178 175.970 176.094 0.090 0.000 1.157 94 V CA -0.416 61.937 62.300 0.088 0.000 1.041 94 V CB 2.788 34.644 31.823 0.054 0.000 1.071 94 V HN 0.895 nan 8.190 nan 0.000 0.441 95 S N 1.799 117.540 115.700 0.068 0.000 2.593 95 S HA 0.303 4.773 4.470 -0.000 0.000 0.269 95 S C 1.347 175.976 174.600 0.048 0.000 1.334 95 S CA 0.214 58.447 58.200 0.055 0.000 1.015 95 S CB 1.145 64.369 63.200 0.041 0.000 0.912 95 S HN 1.370 nan 8.310 nan 0.000 0.541 96 G N 1.583 110.403 108.800 0.033 0.000 2.553 96 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.218 96 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.218 96 G C 1.404 176.331 174.900 0.044 0.000 1.195 96 G CA 0.784 45.903 45.100 0.033 0.000 0.779 96 G HN 1.053 nan 8.290 nan 0.000 0.577 97 G N 0.791 109.611 108.800 0.035 0.000 2.446 97 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 97 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 97 G C 1.771 176.693 174.900 0.037 0.000 1.168 97 G CA 1.597 46.717 45.100 0.034 0.000 0.771 97 G HN 0.566 nan 8.290 nan 0.000 0.551 98 K N 0.078 120.499 120.400 0.036 0.000 2.074 98 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 98 K C 2.302 178.928 176.600 0.043 0.000 1.048 98 K CA 1.329 57.636 56.287 0.033 0.000 0.926 98 K CB -0.601 31.918 32.500 0.031 0.000 0.713 98 K HN 0.279 nan 8.250 nan 0.000 0.444 99 L N 1.097 122.356 121.223 0.061 0.000 2.027 99 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 99 L C 1.711 178.633 176.870 0.087 0.000 1.074 99 L CA 1.841 56.733 54.840 0.087 0.000 0.745 99 L CB -0.449 41.682 42.059 0.121 0.000 0.898 99 L HN 0.131 nan 8.230 nan 0.000 0.433 100 K N -0.750 119.699 120.400 0.081 0.000 2.160 100 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 100 K C 2.134 178.760 176.600 0.043 0.000 1.047 100 K CA 1.670 57.999 56.287 0.070 0.000 0.930 100 K CB -0.207 32.331 32.500 0.062 0.000 0.720 100 K HN 0.384 nan 8.250 nan 0.000 0.450 101 R N 0.053 120.574 120.500 0.035 0.000 2.100 101 R HA 0.102 4.442 4.340 -0.000 0.000 0.220 101 R C 2.341 178.650 176.300 0.015 0.000 1.091 101 R CA 0.903 57.016 56.100 0.021 0.000 0.986 101 R CB -0.105 30.205 30.300 0.018 0.000 0.888 101 R HN 0.179 nan 8.270 nan 0.000 0.444 102 M N 0.315 119.928 119.600 0.022 0.000 2.086 102 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 102 M C 2.295 178.595 176.300 -0.001 0.000 1.067 102 M CA 2.156 57.465 55.300 0.015 0.000 1.116 102 M CB -0.500 32.117 32.600 0.028 0.000 1.348 102 M HN 0.206 nan 8.290 nan 0.000 0.407 103 T N -1.990 112.563 114.554 -0.001 0.000 3.088 103 T HA 0.029 4.379 4.350 -0.000 0.000 0.259 103 T C 0.921 175.582 174.700 -0.066 0.000 1.122 103 T CA -0.098 61.966 62.100 -0.060 0.000 1.095 103 T CB -0.186 68.617 68.868 -0.108 0.000 0.930 103 T HN 0.249 nan 8.240 nan 0.000 0.508 104 R N 1.412 121.896 120.500 -0.027 0.000 2.489 104 R HA 0.251 4.591 4.340 -0.000 0.000 0.287 104 R C -0.437 175.847 176.300 -0.027 0.000 1.053 104 R CA 0.217 56.304 56.100 -0.022 0.000 1.036 104 R CB 0.362 30.660 30.300 -0.003 0.000 0.966 104 R HN 0.495 nan 8.270 nan 0.000 0.432 105 E N 2.090 122.272 120.200 -0.029 0.000 2.378 105 E HA 0.135 4.485 4.350 -0.000 0.000 0.265 105 E C 0.243 176.833 176.600 -0.017 0.000 0.932 105 E CA -0.889 55.495 56.400 -0.027 0.000 0.795 105 E CB 1.725 31.403 29.700 -0.037 0.000 1.296 105 E HN 0.550 nan 8.360 nan 0.000 0.438 106 K N 0.148 120.539 120.400 -0.015 0.000 2.002 106 K HA -0.005 4.315 4.320 -0.000 0.000 0.209 106 K C 0.934 177.529 176.600 -0.009 0.000 1.048 106 K CA 0.883 57.164 56.287 -0.010 0.000 0.930 106 K CB -0.445 32.050 32.500 -0.010 0.000 0.714 106 K HN 0.366 nan 8.250 nan 0.000 0.438 107 A N 2.163 124.977 122.820 -0.011 0.000 2.366 107 A HA 0.117 4.437 4.320 -0.000 0.000 0.250 107 A C -0.235 177.346 177.584 -0.005 0.000 1.099 107 A CA -0.283 51.749 52.037 -0.008 0.000 0.794 107 A CB 0.079 19.073 19.000 -0.009 0.000 1.056 107 A HN 0.279 nan 8.150 nan 0.000 0.499 108 K N 0.741 121.141 120.400 -0.000 0.000 2.401 108 K HA 0.219 4.539 4.320 -0.000 0.000 0.278 108 K C -0.221 176.385 176.600 0.010 0.000 1.018 108 K CA 0.484 56.772 56.287 0.002 0.000 0.981 108 K CB 0.368 32.869 32.500 0.002 0.000 0.933 108 K HN 0.710 nan 8.250 nan 0.000 0.477 109 Q N 0.612 120.418 119.800 0.009 0.000 2.484 109 Q HA 0.448 4.788 4.340 -0.000 0.000 0.285 109 Q C -0.606 175.410 176.000 0.025 0.000 1.097 109 Q CA -1.095 54.720 55.803 0.021 0.000 0.802 109 Q CB 2.163 30.900 28.738 -0.002 0.000 1.444 109 Q HN 0.468 nan 8.270 nan 0.000 0.429 110 V N -2.147 117.798 119.914 0.052 0.000 3.096 110 V HA 0.828 4.948 4.120 -0.000 0.000 0.319 110 V C -0.115 176.014 176.094 0.059 0.000 1.082 110 V CA -0.589 61.726 62.300 0.024 0.000 1.022 110 V CB 1.468 33.282 31.823 -0.016 0.000 1.103 110 V HN 0.942 nan 8.190 nan 0.000 0.455 111 T N -1.025 113.569 114.554 0.068 0.000 2.887 111 T HA 0.760 5.110 4.350 -0.000 0.000 0.288 111 T C -0.775 174.023 174.700 0.162 0.000 1.021 111 T CA -0.693 61.482 62.100 0.125 0.000 1.000 111 T CB 1.599 70.538 68.868 0.118 0.000 1.034 111 T HN 0.840 nan 8.240 nan 0.000 0.467 112 V N 2.308 122.361 119.914 0.231 0.000 2.325 112 V HA 0.655 4.775 4.120 -0.000 0.000 0.280 112 V C 0.727 176.912 176.094 0.152 0.000 1.016 112 V CA -0.221 62.207 62.300 0.212 0.000 0.818 112 V CB 0.044 32.043 31.823 0.294 0.000 1.019 112 V HN 1.631 nan 8.190 nan 0.000 0.434 113 A N 4.039 126.927 122.820 0.114 0.000 2.739 113 A HA 0.047 4.367 4.320 -0.000 0.000 0.296 113 A C 1.769 179.405 177.584 0.087 0.000 1.488 113 A CA 1.272 53.358 52.037 0.082 0.000 0.746 113 A CB -1.510 17.518 19.000 0.046 0.000 1.047 113 A HN 2.535 nan 8.150 nan 0.000 0.477 114 G N -3.464 105.399 108.800 0.105 0.000 2.212 114 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.266 114 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.266 114 G C 0.418 175.386 174.900 0.114 0.000 0.978 114 G CA 0.618 45.776 45.100 0.097 0.000 0.632 114 G HN 1.938 nan 8.290 nan 0.000 0.537 115 V N 3.175 123.185 119.914 0.160 0.000 2.407 115 V HA 0.475 4.595 4.120 -0.000 0.000 0.278 115 V C -1.478 174.749 176.094 0.222 0.000 1.037 115 V CA -1.639 60.789 62.300 0.213 0.000 0.900 115 V CB 1.633 33.650 31.823 0.323 0.000 0.983 115 V HN 0.217 nan 8.190 nan 0.000 0.459 116 P HA 0.068 nan 4.420 nan 0.000 0.266 116 P C -0.400 176.833 177.300 -0.111 0.000 1.215 116 P CA -0.144 62.974 63.100 0.029 0.000 0.763 116 P CB 0.676 32.377 31.700 0.002 0.000 0.806 117 M N 6.607 126.138 119.600 -0.115 0.000 2.188 117 M HA 0.291 4.771 4.480 -0.000 0.000 0.354 117 M C -2.328 173.755 176.300 -0.362 0.000 1.342 117 M CA -2.140 52.917 55.300 -0.405 0.000 1.117 117 M CB 0.571 33.172 32.600 0.003 0.000 1.670 117 M HN 0.098 nan 8.290 nan 0.000 0.466 118 P HA -0.012 nan 4.420 nan 0.000 0.261 118 P C -0.101 177.103 177.300 -0.160 0.000 1.183 118 P CA 0.027 62.952 63.100 -0.292 0.000 0.761 118 P CB 0.400 31.919 31.700 -0.302 0.000 0.785 119 R N 3.354 123.795 120.500 -0.098 0.000 2.133 119 R HA -0.203 4.137 4.340 -0.000 0.000 0.247 119 R C 1.200 177.457 176.300 -0.071 0.000 1.151 119 R CA 2.334 58.399 56.100 -0.058 0.000 0.971 119 R CB -1.111 29.162 30.300 -0.044 0.000 0.866 119 R HN 0.666 nan 8.270 nan 0.000 0.447 120 D N -0.569 119.784 120.400 -0.079 0.000 2.347 120 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 120 D C 1.355 177.601 176.300 -0.090 0.000 0.976 120 D CA 0.848 54.799 54.000 -0.081 0.000 0.884 120 D CB 0.051 40.812 40.800 -0.065 0.000 0.915 120 D HN 0.157 nan 8.370 nan 0.000 0.526 121 A N 0.298 123.069 122.820 -0.082 0.000 2.178 121 A HA 0.013 4.333 4.320 -0.000 0.000 0.211 121 A C 1.937 179.481 177.584 -0.066 0.000 1.157 121 A CA 0.262 52.270 52.037 -0.048 0.000 0.780 121 A CB -0.343 18.659 19.000 0.002 0.000 0.828 121 A HN 0.168 nan 8.150 nan 0.000 0.476 122 E N 0.352 120.496 120.200 -0.092 0.000 2.038 122 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 122 E C -0.752 175.629 176.600 -0.364 0.000 1.000 122 E CA 1.492 57.797 56.400 -0.158 0.000 0.803 122 E CB -0.627 28.985 29.700 -0.146 0.000 0.750 122 E HN 0.534 nan 8.360 nan 0.000 0.448 123 P HA -0.002 nan 4.420 nan 0.000 0.249 123 P C 0.466 177.287 177.300 -0.799 0.000 1.229 123 P CA 0.641 63.448 63.100 -0.489 0.000 0.788 123 P CB 0.362 31.881 31.700 -0.302 0.000 1.072 124 R N -0.897 119.229 120.500 -0.624 0.000 2.317 124 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 124 R C 0.336 176.293 176.300 -0.571 0.000 0.914 124 R CA -0.201 55.580 56.100 -0.533 0.000 1.060 124 R CB -0.991 29.192 30.300 -0.195 0.000 1.015 124 R HN 0.371 nan 8.270 nan 0.000 0.498 125 H N -1.089 117.910 119.070 -0.118 0.000 4.796 125 H HA -0.208 4.348 4.556 -0.000 0.000 0.258 125 H C -0.734 174.677 175.328 0.139 0.000 0.528 125 H CA 0.309 56.301 56.048 -0.093 0.000 0.683 125 H CB -0.871 28.636 29.762 -0.424 0.000 0.880 125 H HN 0.099 nan 8.280 nan 0.000 0.305 126 L N 1.274 122.746 121.223 0.416 0.000 2.408 126 L HA 0.603 4.943 4.340 -0.000 0.000 0.268 126 L C -1.430 175.688 176.870 0.414 0.000 0.986 126 L CA -0.759 54.309 54.840 0.380 0.000 0.820 126 L CB 1.718 43.954 42.059 0.294 0.000 1.303 126 L HN 0.503 nan 8.230 nan 0.000 0.411 127 L N 5.401 126.749 121.223 0.208 0.000 2.333 127 L HA 0.698 5.038 4.340 -0.000 0.000 0.280 127 L C -1.153 175.706 176.870 -0.018 0.000 1.004 127 L CA -0.305 54.499 54.840 -0.061 0.000 0.820 127 L CB 1.970 43.870 42.059 -0.265 0.000 1.247 127 L HN 0.416 nan 8.230 nan 0.000 0.416 128 V N 4.753 124.657 119.914 -0.018 0.000 2.304 128 V HA 0.416 4.536 4.120 -0.000 0.000 0.278 128 V C -0.292 175.797 176.094 -0.009 0.000 1.018 128 V CA -0.688 61.619 62.300 0.012 0.000 0.814 128 V CB 1.179 33.037 31.823 0.057 0.000 1.021 128 V HN 0.794 nan 8.190 nan 0.000 0.440 129 N N 3.378 122.069 118.700 -0.014 0.000 2.419 129 N HA 0.761 5.501 4.740 -0.000 0.000 0.277 129 N C -0.159 175.357 175.510 0.010 0.000 1.006 129 N CA 0.229 53.270 53.050 -0.015 0.000 0.923 129 N CB 1.649 40.118 38.487 -0.030 0.000 1.140 129 N HN 0.894 nan 8.380 nan 0.000 0.488 130 G N 0.761 109.570 108.800 0.015 0.000 2.556 130 G HA2 0.562 4.522 3.960 -0.000 0.000 0.294 130 G HA3 0.562 4.522 3.960 -0.000 0.000 0.294 130 G C -1.255 173.659 174.900 0.023 0.000 1.516 130 G CA -0.384 44.731 45.100 0.025 0.000 0.824 130 G HN 0.716 nan 8.290 nan 0.000 0.535 131 A N 0.412 123.246 122.820 0.024 0.000 2.386 131 A HA 0.659 4.979 4.320 -0.000 0.000 0.246 131 A C 1.099 178.697 177.584 0.024 0.000 1.089 131 A CA 0.782 52.831 52.037 0.022 0.000 0.790 131 A CB 0.310 19.322 19.000 0.020 0.000 1.042 131 A HN 1.740 nan 8.150 nan 0.000 0.497 132 T N -0.103 114.464 114.554 0.022 0.000 2.867 132 T HA 0.423 4.773 4.350 -0.000 0.000 0.297 132 T C 1.298 176.010 174.700 0.020 0.000 0.989 132 T CA 1.535 63.649 62.100 0.023 0.000 1.159 132 T CB -0.471 68.410 68.868 0.021 0.000 0.928 132 T HN 2.342 nan 8.240 nan 0.000 0.538 133 G N 3.331 112.144 108.800 0.021 0.000 2.157 133 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.239 133 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.239 133 G C 0.874 175.786 174.900 0.020 0.000 0.982 133 G CA 0.853 45.964 45.100 0.018 0.000 0.650 133 G HN 1.192 nan 8.290 nan 0.000 0.527 134 T N -2.309 112.260 114.554 0.024 0.000 3.067 134 T HA 0.437 4.787 4.350 -0.000 0.000 0.261 134 T C 2.041 176.758 174.700 0.028 0.000 1.110 134 T CA 1.597 63.712 62.100 0.025 0.000 1.113 134 T CB 0.455 69.340 68.868 0.028 0.000 0.917 134 T HN 2.129 nan 8.240 nan 0.000 0.499 135 G N 1.078 109.898 108.800 0.033 0.000 2.148 135 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.120 135 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.120 135 G C 0.716 175.647 174.900 0.052 0.000 1.034 135 G CA 0.044 45.168 45.100 0.040 0.000 0.710 135 G HN 0.378 nan 8.290 nan 0.000 0.495 136 K N 0.555 120.987 120.400 0.053 0.000 2.097 136 K HA -0.028 4.292 4.320 -0.000 0.000 0.206 136 K C 2.475 179.121 176.600 0.077 0.000 1.049 136 K CA 1.585 57.911 56.287 0.067 0.000 0.933 136 K CB -0.147 32.391 32.500 0.064 0.000 0.717 136 K HN 0.349 nan 8.250 nan 0.000 0.442 137 S N 0.973 116.710 115.700 0.063 0.000 2.345 137 S HA -0.091 4.379 4.470 -0.000 0.000 0.220 137 S C 2.204 176.845 174.600 0.068 0.000 1.031 137 S CA 1.075 59.309 58.200 0.058 0.000 0.996 137 S CB -0.253 62.970 63.200 0.038 0.000 0.882 137 S HN 0.019 nan 8.310 nan 0.000 0.445 138 V N 2.230 122.190 119.914 0.076 0.000 2.380 138 V HA -0.190 3.930 4.120 -0.000 0.000 0.251 138 V C 2.177 178.341 176.094 0.117 0.000 1.063 138 V CA 1.713 64.076 62.300 0.105 0.000 1.055 138 V CB -0.677 31.198 31.823 0.087 0.000 0.657 138 V HN 0.396 nan 8.190 nan 0.000 0.455 139 L N -1.130 120.152 121.223 0.098 0.000 2.044 139 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 139 L C 2.298 179.237 176.870 0.114 0.000 1.075 139 L CA 1.423 56.327 54.840 0.107 0.000 0.747 139 L CB -0.122 41.995 42.059 0.097 0.000 0.903 139 L HN 0.194 nan 8.230 nan 0.000 0.435 140 L N -0.054 121.239 121.223 0.117 0.000 2.131 140 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 140 L C 2.669 179.508 176.870 -0.052 0.000 1.092 140 L CA 1.553 56.471 54.840 0.131 0.000 0.759 140 L CB -0.719 41.441 42.059 0.170 0.000 0.903 140 L HN 0.200 nan 8.230 nan 0.000 0.435 141 R N -0.424 120.063 120.500 -0.021 0.000 2.066 141 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 141 R C 2.316 178.578 176.300 -0.064 0.000 1.131 141 R CA 1.531 57.594 56.100 -0.062 0.000 0.955 141 R CB -0.142 30.151 30.300 -0.013 0.000 0.851 141 R HN 0.476 nan 8.270 nan 0.000 0.432 142 E N 0.291 120.551 120.200 0.101 0.000 2.051 142 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 142 E C 1.959 178.610 176.600 0.086 0.000 0.991 142 E CA 1.235 57.760 56.400 0.208 0.000 0.799 142 E CB -0.145 29.676 29.700 0.202 0.000 0.748 142 E HN 0.365 nan 8.360 nan 0.000 0.449 143 L N 0.354 121.581 121.223 0.007 0.000 2.017 143 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 143 L C 2.649 179.346 176.870 -0.288 0.000 1.073 143 L CA 1.323 56.118 54.840 -0.076 0.000 0.745 143 L CB -0.464 41.637 42.059 0.069 0.000 0.894 143 L HN 0.311 nan 8.230 nan 0.000 0.432 144 A N -0.789 121.753 122.820 -0.465 0.000 1.865 144 A HA -0.336 3.984 4.320 -0.000 0.000 0.217 144 A C 2.121 179.264 177.584 -0.735 0.000 1.191 144 A CA 2.017 53.563 52.037 -0.819 0.000 0.623 144 A CB -1.160 17.141 19.000 -1.165 0.000 0.826 144 A HN 0.538 nan 8.150 nan 0.000 0.444 145 Y N 1.864 121.663 120.300 -0.835 0.000 2.030 145 Y HA -0.298 4.252 4.550 -0.000 0.000 0.274 145 Y C 2.970 178.743 175.900 -0.212 0.000 1.153 145 Y CA 2.948 60.751 58.100 -0.494 0.000 1.115 145 Y CB -1.121 37.343 38.460 0.007 0.000 0.969 145 Y HN 0.459 nan 8.280 nan 0.000 0.488 146 T N -2.475 111.905 114.554 -0.290 0.000 2.897 146 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 146 T C 2.113 176.649 174.700 -0.274 0.000 1.084 146 T CA 1.269 63.190 62.100 -0.297 0.000 1.123 146 T CB -1.246 67.563 68.868 -0.098 0.000 0.865 146 T HN 0.446 nan 8.240 nan 0.000 0.496 147 G N 0.936 109.534 108.800 -0.337 0.000 2.430 147 G HA2 0.135 4.095 3.960 -0.000 0.000 0.216 147 G HA3 0.135 4.095 3.960 -0.000 0.000 0.216 147 G C 1.494 176.272 174.900 -0.203 0.000 1.146 147 G CA 0.269 45.182 45.100 -0.312 0.000 0.793 147 G HN 0.510 nan 8.290 nan 0.000 0.537 148 L N 0.043 121.105 121.223 -0.268 0.000 2.072 148 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 148 L C 2.794 179.580 176.870 -0.140 0.000 1.079 148 L CA 0.441 55.180 54.840 -0.169 0.000 0.752 148 L CB -0.379 41.577 42.059 -0.172 0.000 0.906 148 L HN 0.153 nan 8.230 nan 0.000 0.436 149 L N -0.334 120.741 121.223 -0.247 0.000 2.187 149 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 149 L C 2.571 179.378 176.870 -0.105 0.000 1.100 149 L CA 1.147 55.866 54.840 -0.202 0.000 0.765 149 L CB -0.479 41.383 42.059 -0.328 0.000 0.904 149 L HN 0.273 nan 8.230 nan 0.000 0.437 150 R N 0.104 120.550 120.500 -0.089 0.000 2.297 150 R HA 0.036 4.376 4.340 -0.000 0.000 0.197 150 R C 1.171 177.471 176.300 -0.000 0.000 0.943 150 R CA 0.640 56.722 56.100 -0.029 0.000 1.038 150 R CB 0.213 30.512 30.300 -0.001 0.000 0.957 150 R HN 0.366 nan 8.270 nan 0.000 0.484 151 G N 1.262 110.058 108.800 -0.007 0.000 2.136 151 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 151 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 151 G C -0.710 174.217 174.900 0.044 0.000 0.989 151 G CA 0.235 45.344 45.100 0.015 0.000 0.682 151 G HN 0.393 nan 8.290 nan 0.000 0.522 152 D N 0.248 120.695 120.400 0.079 0.000 2.341 152 D HA 0.396 5.035 4.640 -0.000 0.000 0.245 152 D C 1.142 177.537 176.300 0.158 0.000 1.106 152 D CA -0.012 54.090 54.000 0.170 0.000 0.905 152 D CB 0.779 41.807 40.800 0.379 0.000 1.202 152 D HN 0.392 nan 8.370 nan 0.000 0.426 153 R N 0.967 121.559 120.500 0.154 0.000 2.543 153 R HA 0.700 5.040 4.340 -0.000 0.000 0.268 153 R C 0.274 176.722 176.300 0.246 0.000 1.067 153 R CA -0.468 55.703 56.100 0.118 0.000 1.142 153 R CB 0.918 31.207 30.300 -0.017 0.000 1.110 153 R HN 0.511 nan 8.270 nan 0.000 0.549 154 M N -1.639 118.108 119.600 0.245 0.000 2.694 154 M HA 0.350 4.830 4.480 -0.000 0.000 0.276 154 M C -1.598 174.869 176.300 0.279 0.000 1.167 154 M CA -1.127 54.369 55.300 0.326 0.000 0.849 154 M CB 1.739 34.569 32.600 0.383 0.000 1.705 154 M HN 0.171 nan 8.290 nan 0.000 0.504 155 V N 2.801 122.889 119.914 0.291 0.000 2.448 155 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 155 V C -0.592 175.600 176.094 0.163 0.000 1.025 155 V CA -0.418 61.974 62.300 0.153 0.000 0.859 155 V CB 1.865 33.793 31.823 0.175 0.000 0.988 155 V HN 0.716 nan 8.190 nan 0.000 0.431 156 I N 4.885 125.457 120.570 0.004 0.000 2.410 156 I HA 0.335 4.505 4.170 -0.000 0.000 0.286 156 I C -0.283 175.945 176.117 0.186 0.000 1.009 156 I CA -0.844 60.517 61.300 0.102 0.000 1.111 156 I CB 2.147 40.088 38.000 -0.098 0.000 1.262 156 I HN 0.258 nan 8.210 nan 0.000 0.443 157 V N 5.042 125.124 119.914 0.280 0.000 2.364 157 V HA 0.014 4.134 4.120 -0.000 0.000 0.252 157 V C -0.114 176.206 176.094 0.377 0.000 1.075 157 V CA 0.255 62.784 62.300 0.382 0.000 1.033 157 V CB 0.286 32.327 31.823 0.364 0.000 1.116 157 V HN 0.630 nan 8.190 nan 0.000 0.488 158 D N 7.376 127.974 120.400 0.330 0.000 2.460 158 D HA 0.383 5.023 4.640 -0.000 0.000 0.232 158 D C -2.725 173.406 176.300 -0.283 0.000 1.079 158 D CA -2.145 51.917 54.000 0.103 0.000 0.864 158 D CB 1.852 42.768 40.800 0.192 0.000 1.048 158 D HN 0.248 nan 8.370 nan 0.000 0.523 159 P HA 0.159 nan 4.420 nan 0.000 0.271 159 P C -0.298 176.623 177.300 -0.632 0.000 1.220 159 P CA -0.141 62.295 63.100 -1.107 0.000 0.768 159 P CB 0.446 31.754 31.700 -0.653 0.000 0.848 160 N N 2.668 120.947 118.700 -0.702 0.000 2.714 160 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 160 N C 0.893 176.262 175.510 -0.235 0.000 1.117 160 N CA 1.572 54.383 53.050 -0.399 0.000 0.719 160 N CB -1.817 36.492 38.487 -0.297 0.000 1.081 160 N HN 0.877 nan 8.380 nan 0.000 0.557 161 G N 0.228 108.906 108.800 -0.204 0.000 2.296 161 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.282 161 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.282 161 G C 0.696 175.537 174.900 -0.098 0.000 1.014 161 G CA 1.428 46.471 45.100 -0.095 0.000 0.812 161 G HN 0.649 nan 8.290 nan 0.000 0.508 162 D N -0.339 119.996 120.400 -0.108 0.000 2.088 162 D HA -0.156 4.484 4.640 -0.000 0.000 0.191 162 D C 2.603 178.850 176.300 -0.087 0.000 0.992 162 D CA 1.831 55.771 54.000 -0.099 0.000 0.831 162 D CB -0.109 40.638 40.800 -0.089 0.000 0.973 162 D HN 0.274 nan 8.370 nan 0.000 0.447 163 M N -0.210 119.395 119.600 0.007 0.000 2.149 163 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 163 M C 2.333 178.715 176.300 0.136 0.000 1.064 163 M CA 0.826 56.221 55.300 0.158 0.000 1.102 163 M CB -1.087 31.678 32.600 0.276 0.000 1.369 163 M HN 0.279 nan 8.290 nan 0.000 0.408 164 L N 0.736 121.912 121.223 -0.079 0.000 2.017 164 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 164 L C 2.624 179.236 176.870 -0.431 0.000 1.073 164 L CA 2.418 56.861 54.840 -0.662 0.000 0.745 164 L CB -0.901 40.842 42.059 -0.527 0.000 0.894 164 L HN 0.430 nan 8.230 nan 0.000 0.432 165 S N -1.654 113.890 115.700 -0.260 0.000 2.474 165 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 165 S C 1.821 176.272 174.600 -0.248 0.000 0.997 165 S CA 0.739 58.812 58.200 -0.213 0.000 0.949 165 S CB -0.415 62.694 63.200 -0.152 0.000 0.766 165 S HN 0.481 nan 8.310 nan 0.000 0.517 166 K N 0.173 120.354 120.400 -0.365 0.000 2.214 166 K HA 0.283 4.603 4.320 -0.000 0.000 0.201 166 K C 0.724 176.937 176.600 -0.645 0.000 1.049 166 K CA 0.670 56.587 56.287 -0.617 0.000 0.978 166 K CB -0.264 31.570 32.500 -1.110 0.000 0.842 166 K HN 0.568 nan 8.250 nan 0.000 0.474 167 F N 0.570 120.489 119.950 -0.050 0.000 2.706 167 F HA 0.306 4.833 4.527 -0.000 0.000 0.313 167 F C 1.186 177.033 175.800 0.079 0.000 1.096 167 F CA -0.840 57.193 58.000 0.053 0.000 1.219 167 F CB -0.033 39.033 39.000 0.109 0.000 1.051 167 F HN -0.170 nan 8.300 nan 0.000 0.568 168 G N 1.622 110.401 108.800 -0.036 0.000 2.334 168 G HA2 0.401 4.361 3.960 -0.000 0.000 0.261 168 G HA3 0.401 4.361 3.960 -0.000 0.000 0.261 168 G C 0.111 175.001 174.900 -0.017 0.000 1.257 168 G CA -0.272 44.706 45.100 -0.202 0.000 0.935 168 G HN 0.145 nan 8.290 nan 0.000 0.480 169 R N 1.328 121.887 120.500 0.098 0.000 2.602 169 R HA 0.320 4.660 4.340 -0.000 0.000 0.237 169 R C 0.874 177.207 176.300 0.054 0.000 1.219 169 R CA -0.769 55.381 56.100 0.084 0.000 1.121 169 R CB 0.838 31.212 30.300 0.124 0.000 1.408 169 R HN 0.447 nan 8.270 nan 0.000 0.559 170 D N 0.860 121.289 120.400 0.050 0.000 2.194 170 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 170 D C 1.032 177.366 176.300 0.056 0.000 0.964 170 D CA 1.201 55.221 54.000 0.035 0.000 0.846 170 D CB 0.230 41.045 40.800 0.026 0.000 0.962 170 D HN 0.450 nan 8.370 nan 0.000 0.490 171 K N 0.769 121.220 120.400 0.086 0.000 2.486 171 K HA 0.018 4.338 4.320 -0.000 0.000 0.194 171 K C 0.119 176.816 176.600 0.162 0.000 1.033 171 K CA 0.190 56.543 56.287 0.110 0.000 1.004 171 K CB 0.264 32.829 32.500 0.108 0.000 0.798 171 K HN -0.138 nan 8.250 nan 0.000 0.495 172 D N 1.735 122.243 120.400 0.180 0.000 2.345 172 D HA 0.136 4.776 4.640 -0.000 0.000 0.247 172 D C 0.229 176.632 176.300 0.171 0.000 1.108 172 D CA -0.225 53.936 54.000 0.268 0.000 0.894 172 D CB 0.889 41.933 40.800 0.407 0.000 1.203 172 D HN -0.019 nan 8.370 nan 0.000 0.430 173 I N 1.999 122.660 120.570 0.151 0.000 2.532 173 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 173 I C 0.586 176.649 176.117 -0.090 0.000 1.014 173 I CA -0.355 60.873 61.300 -0.120 0.000 1.340 173 I CB 0.654 38.404 38.000 -0.417 0.000 1.422 173 I HN 0.181 nan 8.210 nan 0.000 0.528 174 I N 6.063 126.506 120.570 -0.212 0.000 2.466 174 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 174 I C -0.758 175.197 176.117 -0.268 0.000 1.026 174 I CA -0.511 60.708 61.300 -0.135 0.000 1.078 174 I CB 2.291 40.251 38.000 -0.067 0.000 1.249 174 I HN 0.241 nan 8.210 nan 0.000 0.429 175 L N 6.651 127.704 121.223 -0.284 0.000 2.316 175 L HA 0.538 4.878 4.340 -0.000 0.000 0.280 175 L C -0.656 176.161 176.870 -0.088 0.000 1.006 175 L CA -0.319 54.226 54.840 -0.493 0.000 0.836 175 L CB 1.168 42.498 42.059 -1.215 0.000 1.221 175 L HN 0.546 nan 8.230 nan 0.000 0.418 176 N N 5.134 123.904 118.700 0.118 0.000 2.697 176 N HA 0.186 4.926 4.740 -0.000 0.000 0.271 176 N C -2.365 173.337 175.510 0.319 0.000 1.149 176 N CA -1.036 52.226 53.050 0.354 0.000 0.939 176 N CB 2.672 41.368 38.487 0.350 0.000 1.534 176 N HN 0.094 nan 8.380 nan 0.000 0.556 177 P HA -0.086 nan 4.420 nan 0.000 0.221 177 P C 0.249 177.442 177.300 -0.178 0.000 1.145 177 P CA 1.279 64.412 63.100 0.055 0.000 0.795 177 P CB 0.120 31.789 31.700 -0.052 0.000 0.775 178 Y N -0.897 119.554 120.300 0.251 0.000 2.607 178 Y HA 0.304 4.854 4.550 -0.000 0.000 0.266 178 Y C 0.750 176.872 175.900 0.370 0.000 1.178 178 Y CA -0.728 57.547 58.100 0.293 0.000 1.226 178 Y CB 0.001 38.653 38.460 0.320 0.000 1.144 178 Y HN -0.065 nan 8.280 nan 0.000 0.528 179 D N 0.326 120.936 120.400 0.350 0.000 2.278 179 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 179 D C 0.884 177.183 176.300 -0.001 0.000 1.052 179 D CA -0.191 53.897 54.000 0.146 0.000 0.834 179 D CB 1.956 42.908 40.800 0.253 0.000 1.194 179 D HN 0.082 nan 8.370 nan 0.000 0.481 180 Q N 3.228 122.965 119.800 -0.105 0.000 2.173 180 Q HA -0.185 4.155 4.340 -0.000 0.000 0.208 180 Q C 1.393 177.357 176.000 -0.060 0.000 0.989 180 Q CA 1.798 57.552 55.803 -0.082 0.000 0.872 180 Q CB 0.135 28.804 28.738 -0.114 0.000 0.909 180 Q HN 0.452 nan 8.270 nan 0.000 0.420 181 R N -0.398 120.063 120.500 -0.065 0.000 2.323 181 R HA 0.072 4.412 4.340 -0.000 0.000 0.198 181 R C 0.693 176.951 176.300 -0.070 0.000 0.988 181 R CA 0.556 56.618 56.100 -0.063 0.000 1.041 181 R CB -0.234 30.024 30.300 -0.069 0.000 0.926 181 R HN 0.114 nan 8.270 nan 0.000 0.476 182 T N 0.993 115.517 114.554 -0.049 0.000 2.855 182 T HA 0.033 4.383 4.350 -0.000 0.000 0.314 182 T C 0.247 174.879 174.700 -0.113 0.000 1.077 182 T CA -0.143 61.910 62.100 -0.078 0.000 1.095 182 T CB 0.537 69.401 68.868 -0.008 0.000 0.987 182 T HN -0.088 nan 8.240 nan 0.000 0.546 183 K N 1.812 122.086 120.400 -0.209 0.000 2.090 183 K HA 0.488 4.808 4.320 -0.000 0.000 0.249 183 K C 0.472 177.071 176.600 -0.001 0.000 0.995 183 K CA -0.560 55.605 56.287 -0.203 0.000 0.914 183 K CB 0.833 32.972 32.500 -0.602 0.000 1.057 183 K HN 0.759 nan 8.250 nan 0.000 0.462 184 G N 0.140 109.006 108.800 0.109 0.000 2.356 184 G HA2 0.399 4.359 3.960 -0.000 0.000 0.298 184 G HA3 0.399 4.359 3.960 -0.000 0.000 0.298 184 G C -1.489 173.643 174.900 0.386 0.000 1.145 184 G CA -0.364 44.857 45.100 0.201 0.000 0.850 184 G HN 0.569 nan 8.290 nan 0.000 0.487 185 W N 1.422 122.837 121.300 0.192 0.000 3.137 185 W HA 0.637 5.296 4.660 -0.000 0.000 0.324 185 W C -0.783 175.913 176.519 0.294 0.000 1.253 185 W CA -0.774 56.727 57.345 0.261 0.000 1.183 185 W CB 2.130 31.784 29.460 0.324 0.000 1.424 185 W HN 0.800 nan 8.180 nan 0.000 0.566 186 S N 3.242 118.385 115.700 -0.928 0.000 2.537 186 S HA 0.272 4.742 4.470 -0.000 0.000 0.271 186 S C 0.161 173.867 174.600 -1.489 0.000 1.148 186 S CA -0.311 57.332 58.200 -0.929 0.000 0.868 186 S CB 0.186 63.246 63.200 -0.232 0.000 1.115 186 S HN 0.916 nan 8.310 nan 0.000 0.461 187 F N 2.901 122.141 119.950 -1.184 0.000 2.333 187 F HA 0.161 4.688 4.527 -0.000 0.000 0.300 187 F C 1.272 176.830 175.800 -0.403 0.000 1.083 187 F CA 0.761 58.390 58.000 -0.619 0.000 1.395 187 F CB -0.749 38.112 39.000 -0.232 0.000 1.056 187 F HN 0.546 nan 8.300 nan 0.000 0.529 188 F N 1.874 121.198 119.950 -1.043 0.000 2.120 188 F HA -0.279 4.248 4.527 -0.000 0.000 0.300 188 F C 2.007 177.511 175.800 -0.492 0.000 1.095 188 F CA 1.712 59.250 58.000 -0.771 0.000 1.249 188 F CB -0.758 37.918 39.000 -0.540 0.000 0.995 188 F HN 0.026 nan 8.300 nan 0.000 0.480 189 N N 0.143 118.705 118.700 -0.231 0.000 2.513 189 N HA -0.152 4.588 4.740 -0.000 0.000 0.187 189 N C 1.224 176.635 175.510 -0.165 0.000 1.056 189 N CA 1.049 54.002 53.050 -0.163 0.000 0.907 189 N CB -0.385 38.031 38.487 -0.117 0.000 0.954 189 N HN 0.412 nan 8.380 nan 0.000 0.445 190 E N -0.191 119.851 120.200 -0.262 0.000 2.460 190 E HA 0.117 4.466 4.350 -0.000 0.000 0.200 190 E C 0.320 176.647 176.600 -0.455 0.000 1.011 190 E CA -0.157 56.013 56.400 -0.384 0.000 0.912 190 E CB 0.601 29.886 29.700 -0.690 0.000 0.953 190 E HN 0.210 nan 8.360 nan 0.000 0.494 191 I N 2.144 122.445 120.570 -0.449 0.000 2.533 191 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 191 I C 1.468 177.369 176.117 -0.359 0.000 1.109 191 I CA 0.570 61.558 61.300 -0.520 0.000 1.412 191 I CB 0.386 37.849 38.000 -0.895 0.000 1.396 191 I HN -0.020 nan 8.210 nan 0.000 0.543 192 R N 3.743 124.055 120.500 -0.312 0.000 2.561 192 R HA 0.261 4.601 4.340 -0.000 0.000 0.213 192 R C 0.086 176.269 176.300 -0.195 0.000 0.885 192 R CA -0.108 55.871 56.100 -0.202 0.000 1.002 192 R CB 0.691 30.914 30.300 -0.129 0.000 1.432 192 R HN 0.601 nan 8.270 nan 0.000 0.651 193 N N 0.401 118.919 118.700 -0.304 0.000 2.577 193 N HA 0.057 4.797 4.740 -0.000 0.000 0.285 193 N C -0.199 175.151 175.510 -0.266 0.000 1.309 193 N CA -0.402 52.500 53.050 -0.246 0.000 0.798 193 N CB 1.769 40.079 38.487 -0.295 0.000 1.463 193 N HN -0.177 nan 8.380 nan 0.000 0.518 194 D N -0.041 120.333 120.400 -0.044 0.000 2.117 194 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 194 D C 1.715 178.094 176.300 0.132 0.000 0.982 194 D CA 1.466 55.544 54.000 0.131 0.000 0.828 194 D CB -0.081 40.846 40.800 0.211 0.000 0.967 194 D HN 0.648 nan 8.370 nan 0.000 0.464 195 Y N -0.435 119.929 120.300 0.107 0.000 2.651 195 Y HA 0.025 4.575 4.550 -0.000 0.000 0.296 195 Y C 1.101 177.051 175.900 0.084 0.000 1.150 195 Y CA 0.738 58.895 58.100 0.095 0.000 1.348 195 Y CB -0.539 37.953 38.460 0.053 0.000 0.983 195 Y HN -0.114 nan 8.280 nan 0.000 0.555 196 D N -0.314 119.849 120.400 -0.396 0.000 2.363 196 D HA -0.096 4.544 4.640 -0.000 0.000 0.220 196 D C 1.156 177.489 176.300 0.054 0.000 0.994 196 D CA 0.698 54.569 54.000 -0.216 0.000 0.890 196 D CB -0.397 40.229 40.800 -0.289 0.000 0.906 196 D HN 0.588 nan 8.370 nan 0.000 0.530 197 W N 1.039 122.409 121.300 0.117 0.000 2.407 197 W HA -0.134 4.526 4.660 -0.000 0.000 0.305 197 W C 2.655 179.248 176.519 0.124 0.000 1.196 197 W CA 0.230 57.669 57.345 0.156 0.000 1.311 197 W CB -0.059 29.468 29.460 0.113 0.000 1.135 197 W HN -0.067 nan 8.180 nan 0.000 0.514 198 Q N 1.147 121.136 119.800 0.314 0.000 2.083 198 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 198 Q C 2.182 178.236 176.000 0.091 0.000 0.969 198 Q CA 1.694 57.603 55.803 0.176 0.000 0.838 198 Q CB -0.517 28.303 28.738 0.137 0.000 0.900 198 Q HN 0.160 nan 8.270 nan 0.000 0.436 199 R N -1.065 119.464 120.500 0.047 0.000 2.134 199 R HA -0.226 4.114 4.340 -0.000 0.000 0.248 199 R C 1.317 177.430 176.300 -0.311 0.000 1.143 199 R CA 2.104 58.109 56.100 -0.159 0.000 0.957 199 R CB -0.381 29.758 30.300 -0.269 0.000 0.867 199 R HN 0.457 nan 8.270 nan 0.000 0.441 200 Y N -1.107 119.249 120.300 0.092 0.000 2.482 200 Y HA 0.259 4.809 4.550 -0.000 0.000 0.270 200 Y C 1.984 177.852 175.900 -0.054 0.000 1.152 200 Y CA 0.219 58.364 58.100 0.074 0.000 1.292 200 Y CB 0.391 38.946 38.460 0.159 0.000 1.070 200 Y HN 0.216 nan 8.280 nan 0.000 0.528 201 A N -0.302 122.549 122.820 0.052 0.000 2.014 201 A HA -0.077 4.242 4.320 -0.000 0.000 0.218 201 A C 1.880 179.434 177.584 -0.049 0.000 1.163 201 A CA 1.060 53.059 52.037 -0.062 0.000 0.652 201 A CB -0.494 18.524 19.000 0.030 0.000 0.808 201 A HN 0.338 nan 8.150 nan 0.000 0.449 202 L N -0.188 121.028 121.223 -0.012 0.000 2.217 202 L HA 0.002 4.342 4.340 -0.000 0.000 0.211 202 L C 2.486 179.358 176.870 0.004 0.000 1.107 202 L CA 1.770 56.604 54.840 -0.010 0.000 0.783 202 L CB -0.744 41.304 42.059 -0.019 0.000 0.919 202 L HN 0.315 nan 8.230 nan 0.000 0.442 203 S N -1.591 114.128 115.700 0.032 0.000 2.388 203 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 203 S C 1.997 176.642 174.600 0.074 0.000 1.034 203 S CA 0.896 59.154 58.200 0.096 0.000 0.963 203 S CB 0.022 63.367 63.200 0.241 0.000 0.827 203 S HN 0.210 nan 8.310 nan 0.000 0.481 204 V N 1.352 121.257 119.914 -0.015 0.000 2.358 204 V HA 0.010 4.130 4.120 -0.000 0.000 0.246 204 V C 0.784 176.850 176.094 -0.048 0.000 1.047 204 V CA 1.009 63.248 62.300 -0.102 0.000 1.035 204 V CB -0.313 31.227 31.823 -0.471 0.000 0.658 204 V HN 0.260 nan 8.190 nan 0.000 0.452 205 V N 3.479 123.359 119.914 -0.055 0.000 2.239 205 V HA 0.300 4.420 4.120 -0.000 0.000 0.267 205 V C -2.037 174.056 176.094 -0.002 0.000 1.056 205 V CA -1.731 60.561 62.300 -0.014 0.000 0.830 205 V CB 0.712 32.529 31.823 -0.010 0.000 1.090 205 V HN 0.332 nan 8.190 nan 0.000 0.459 206 P HA 0.097 nan 4.420 nan 0.000 0.272 206 P C -0.165 177.119 177.300 -0.027 0.000 1.248 206 P CA -0.426 62.666 63.100 -0.014 0.000 0.799 206 P CB 0.748 32.433 31.700 -0.026 0.000 0.997 207 R N -0.062 120.409 120.500 -0.049 0.000 2.537 207 R HA 0.241 4.581 4.340 -0.000 0.000 0.280 207 R C 1.038 177.290 176.300 -0.079 0.000 1.058 207 R CA 0.195 56.257 56.100 -0.063 0.000 1.057 207 R CB -0.714 29.542 30.300 -0.073 0.000 0.973 207 R HN 0.620 nan 8.270 nan 0.000 0.438 208 G N 1.317 110.073 108.800 -0.073 0.000 2.491 208 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.242 208 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.242 208 G C 0.852 175.688 174.900 -0.106 0.000 1.266 208 G CA -0.363 44.690 45.100 -0.079 0.000 0.844 208 G HN 0.641 nan 8.290 nan 0.000 0.571 209 K N -0.157 120.186 120.400 -0.095 0.000 2.097 209 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 209 K C 1.435 177.975 176.600 -0.100 0.000 1.049 209 K CA 1.537 57.765 56.287 -0.098 0.000 0.933 209 K CB -0.104 32.354 32.500 -0.070 0.000 0.717 209 K HN 0.646 nan 8.250 nan 0.000 0.442 210 T N -2.433 112.044 114.554 -0.128 0.000 2.950 210 T HA 0.186 4.536 4.350 -0.000 0.000 0.288 210 T C 0.488 175.071 174.700 -0.194 0.000 1.035 210 T CA -0.959 61.051 62.100 -0.149 0.000 1.028 210 T CB 1.537 70.304 68.868 -0.168 0.000 1.109 210 T HN -0.071 nan 8.240 nan 0.000 0.514 211 D N 0.073 120.367 120.400 -0.177 0.000 2.178 211 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 211 D C 1.646 177.774 176.300 -0.287 0.000 0.980 211 D CA 1.203 55.091 54.000 -0.186 0.000 0.842 211 D CB 0.142 40.860 40.800 -0.136 0.000 0.948 211 D HN 0.840 nan 8.370 nan 0.000 0.472 212 E N 0.624 120.597 120.200 -0.380 0.000 2.046 212 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 212 E C 2.071 178.023 176.600 -1.079 0.000 0.982 212 E CA 0.805 56.826 56.400 -0.632 0.000 0.800 212 E CB 0.056 29.398 29.700 -0.597 0.000 0.756 212 E HN 0.109 nan 8.360 nan 0.000 0.449 213 A N 1.069 123.340 122.820 -0.915 0.000 1.978 213 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 213 A C 2.018 179.423 177.584 -0.299 0.000 1.170 213 A CA 1.946 53.576 52.037 -0.679 0.000 0.636 213 A CB -0.579 18.271 19.000 -0.249 0.000 0.810 213 A HN 0.335 nan 8.150 nan 0.000 0.448 214 E N 0.274 120.305 120.200 -0.281 0.000 2.152 214 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 214 E C 1.885 178.363 176.600 -0.202 0.000 0.983 214 E CA 1.455 57.752 56.400 -0.171 0.000 0.818 214 E CB -0.332 29.277 29.700 -0.152 0.000 0.758 214 E HN 0.692 nan 8.360 nan 0.000 0.467 215 E N -0.597 119.411 120.200 -0.320 0.000 2.051 215 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 215 E C 1.464 177.859 176.600 -0.341 0.000 0.991 215 E CA 1.414 57.593 56.400 -0.369 0.000 0.799 215 E CB -0.217 29.281 29.700 -0.336 0.000 0.748 215 E HN 0.386 nan 8.360 nan 0.000 0.449 216 W N 0.465 121.687 121.300 -0.131 0.000 2.355 216 W HA -0.061 4.599 4.660 -0.000 0.000 0.309 216 W C 2.541 179.069 176.519 0.014 0.000 1.206 216 W CA 0.874 58.243 57.345 0.041 0.000 1.284 216 W CB -1.434 28.091 29.460 0.109 0.000 1.145 216 W HN 0.197 nan 8.180 nan 0.000 0.502 217 A N 1.091 124.039 122.820 0.213 0.000 1.917 217 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 217 A C 2.238 179.860 177.584 0.064 0.000 1.182 217 A CA 3.423 55.532 52.037 0.120 0.000 0.633 217 A CB -1.305 17.725 19.000 0.049 0.000 0.819 217 A HN 0.321 nan 8.150 nan 0.000 0.448 218 S N -1.620 114.055 115.700 -0.041 0.000 2.423 218 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 218 S C 1.864 176.500 174.600 0.059 0.000 1.014 218 S CA 1.263 59.430 58.200 -0.055 0.000 0.965 218 S CB -0.843 62.259 63.200 -0.163 0.000 0.785 218 S HN 0.676 nan 8.310 nan 0.000 0.495 219 Y N 1.850 122.265 120.300 0.192 0.000 2.220 219 Y HA 0.097 4.647 4.550 -0.000 0.000 0.291 219 Y C 3.023 179.086 175.900 0.272 0.000 1.129 219 Y CA 0.251 58.525 58.100 0.290 0.000 1.161 219 Y CB -0.708 37.968 38.460 0.359 0.000 0.997 219 Y HN 0.460 nan 8.280 nan 0.000 0.522 220 G N 0.315 109.309 108.800 0.324 0.000 2.422 220 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 220 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 220 G C 1.628 176.611 174.900 0.138 0.000 1.146 220 G CA 0.584 45.798 45.100 0.190 0.000 0.769 220 G HN 0.306 nan 8.290 nan 0.000 0.547 221 R N -0.693 119.882 120.500 0.126 0.000 2.115 221 R HA 0.113 4.453 4.340 -0.000 0.000 0.226 221 R C 2.391 178.757 176.300 0.111 0.000 1.100 221 R CA 0.683 56.831 56.100 0.080 0.000 0.980 221 R CB -0.397 29.935 30.300 0.054 0.000 0.875 221 R HN 0.375 nan 8.270 nan 0.000 0.445 222 L N 1.045 122.374 121.223 0.177 0.000 2.027 222 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 222 L C 2.061 179.059 176.870 0.214 0.000 1.074 222 L CA 1.461 56.406 54.840 0.176 0.000 0.745 222 L CB -0.526 41.650 42.059 0.194 0.000 0.898 222 L HN 0.080 nan 8.230 nan 0.000 0.433 223 L N -0.900 120.504 121.223 0.302 0.000 2.017 223 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 223 L C 2.324 179.243 176.870 0.083 0.000 1.073 223 L CA 1.925 56.873 54.840 0.180 0.000 0.745 223 L CB -0.909 41.152 42.059 0.004 0.000 0.894 223 L HN 0.413 nan 8.230 nan 0.000 0.432 224 L N 0.251 121.516 121.223 0.070 0.000 1.976 224 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 224 L C 2.886 179.781 176.870 0.042 0.000 1.071 224 L CA 2.382 57.249 54.840 0.044 0.000 0.746 224 L CB -0.850 41.202 42.059 -0.013 0.000 0.890 224 L HN 0.512 nan 8.230 nan 0.000 0.432 225 R N -1.111 119.413 120.500 0.041 0.000 2.091 225 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 225 R C 1.855 178.038 176.300 -0.195 0.000 1.136 225 R CA 1.639 57.741 56.100 0.004 0.000 0.959 225 R CB -0.873 29.480 30.300 0.088 0.000 0.856 225 R HN 0.352 nan 8.270 nan 0.000 0.437 226 E N 0.488 120.621 120.200 -0.111 0.000 2.107 226 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 226 E C 2.008 178.503 176.600 -0.175 0.000 0.982 226 E CA 1.663 57.963 56.400 -0.167 0.000 0.809 226 E CB -0.212 29.435 29.700 -0.087 0.000 0.756 226 E HN 0.446 nan 8.360 nan 0.000 0.459 227 T N 0.943 115.464 114.554 -0.056 0.000 2.812 227 T HA -0.009 4.341 4.350 -0.000 0.000 0.264 227 T C 1.889 176.657 174.700 0.113 0.000 1.042 227 T CA 1.249 63.397 62.100 0.080 0.000 1.140 227 T CB -0.105 68.859 68.868 0.160 0.000 0.870 227 T HN 0.224 nan 8.240 nan 0.000 0.445 228 A N 1.267 124.103 122.820 0.027 0.000 2.066 228 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 228 A C 2.181 179.599 177.584 -0.276 0.000 1.157 228 A CA 1.279 53.348 52.037 0.053 0.000 0.670 228 A CB -0.392 18.652 19.000 0.072 0.000 0.804 228 A HN 0.415 nan 8.150 nan 0.000 0.453 229 K N -0.114 119.862 120.400 -0.707 0.000 2.167 229 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 229 K C 2.048 178.459 176.600 -0.315 0.000 1.052 229 K CA 1.329 57.005 56.287 -1.017 0.000 0.956 229 K CB -0.115 31.704 32.500 -1.135 0.000 0.735 229 K HN 0.422 nan 8.250 nan 0.000 0.451 230 K N 0.788 121.067 120.400 -0.201 0.000 2.044 230 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 230 K C 2.121 178.768 176.600 0.078 0.000 1.049 230 K CA 0.645 56.858 56.287 -0.124 0.000 0.945 230 K CB 0.004 32.293 32.500 -0.352 0.000 0.724 230 K HN 0.090 nan 8.250 nan 0.000 0.440 231 L N 0.675 122.038 121.223 0.233 0.000 2.129 231 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 231 L C 2.531 179.490 176.870 0.148 0.000 1.087 231 L CA 1.347 56.356 54.840 0.282 0.000 0.757 231 L CB -0.489 41.784 42.059 0.356 0.000 0.896 231 L HN 0.325 nan 8.230 nan 0.000 0.434 232 A N -0.362 122.569 122.820 0.185 0.000 1.897 232 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 232 A C 2.253 179.903 177.584 0.111 0.000 1.181 232 A CA 0.904 53.038 52.037 0.162 0.000 0.620 232 A CB -0.521 18.764 19.000 0.475 0.000 0.821 232 A HN 0.306 nan 8.150 nan 0.000 0.443 233 L N 0.125 121.409 121.223 0.102 0.000 2.012 233 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 233 L C 2.201 179.099 176.870 0.047 0.000 1.073 233 L CA 1.876 56.754 54.840 0.064 0.000 0.748 233 L CB -0.419 41.651 42.059 0.020 0.000 0.891 233 L HN 0.689 nan 8.230 nan 0.000 0.431 234 I N -2.530 118.074 120.570 0.057 0.000 3.684 234 I HA 0.202 4.372 4.170 -0.000 0.000 0.308 234 I C 1.238 177.383 176.117 0.046 0.000 1.263 234 I CA 0.564 61.901 61.300 0.061 0.000 1.174 234 I CB -0.885 37.178 38.000 0.105 0.000 1.021 234 I HN 0.324 nan 8.210 nan 0.000 0.451 235 G N 2.176 110.991 108.800 0.025 0.000 2.186 235 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.266 235 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.266 235 G C 0.502 175.379 174.900 -0.038 0.000 0.982 235 G CA 0.761 45.856 45.100 -0.008 0.000 0.670 235 G HN 0.785 nan 8.290 nan 0.000 0.533 236 T N -1.300 113.239 114.554 -0.026 0.000 3.326 236 T HA 0.599 4.949 4.350 -0.000 0.000 0.274 236 T C -1.832 172.776 174.700 -0.154 0.000 1.608 236 T CA -1.157 60.910 62.100 -0.055 0.000 1.433 236 T CB 1.758 70.639 68.868 0.022 0.000 1.034 236 T HN 0.202 nan 8.240 nan 0.000 0.694 237 P HA 0.170 nan 4.420 nan 0.000 0.231 237 P C -0.136 176.654 177.300 -0.849 0.000 1.756 237 P CA 0.053 62.518 63.100 -1.059 0.000 0.990 237 P CB -0.226 30.726 31.700 -1.247 0.000 1.973 238 S N 1.952 117.486 115.700 -0.276 0.000 2.457 238 S HA 0.325 4.795 4.470 -0.000 0.000 0.289 238 S C 1.375 176.094 174.600 0.198 0.000 1.163 238 S CA -0.673 57.503 58.200 -0.040 0.000 1.078 238 S CB 0.437 63.633 63.200 -0.007 0.000 0.987 238 S HN -0.032 nan 8.310 nan 0.000 0.482 239 M N 4.055 123.792 119.600 0.228 0.000 2.319 239 M HA 0.060 4.540 4.480 -0.000 0.000 0.265 239 M C 1.998 178.448 176.300 0.250 0.000 1.068 239 M CA 1.209 56.694 55.300 0.307 0.000 1.118 239 M CB -1.098 31.651 32.600 0.247 0.000 1.395 239 M HN 0.763 nan 8.290 nan 0.000 0.435 240 R N -0.032 120.563 120.500 0.159 0.000 2.119 240 R HA -0.092 4.247 4.340 -0.000 0.000 0.222 240 R C 1.954 178.354 176.300 0.166 0.000 1.088 240 R CA 0.868 57.053 56.100 0.142 0.000 0.984 240 R CB 0.255 30.587 30.300 0.054 0.000 0.884 240 R HN 0.176 nan 8.270 nan 0.000 0.447 241 E N 0.647 120.923 120.200 0.127 0.000 2.046 241 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 241 E C 1.868 178.601 176.600 0.221 0.000 0.982 241 E CA 0.724 57.171 56.400 0.079 0.000 0.800 241 E CB -0.242 29.513 29.700 0.092 0.000 0.756 241 E HN 0.194 nan 8.360 nan 0.000 0.449 242 L N 0.397 121.817 121.223 0.328 0.000 2.042 242 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 242 L C 2.230 179.291 176.870 0.319 0.000 1.076 242 L CA 1.583 56.647 54.840 0.373 0.000 0.749 242 L CB -0.862 41.438 42.059 0.403 0.000 0.893 242 L HN 0.080 nan 8.230 nan 0.000 0.432 243 F N -0.634 119.411 119.950 0.159 0.000 2.146 243 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 243 F C 2.626 178.464 175.800 0.063 0.000 1.096 243 F CA 1.882 59.946 58.000 0.106 0.000 1.275 243 F CB -0.287 38.774 39.000 0.102 0.000 1.008 243 F HN 0.438 nan 8.300 nan 0.000 0.480 244 H N -1.162 117.939 119.070 0.052 0.000 2.293 244 H HA -0.226 4.330 4.556 -0.000 0.000 0.300 244 H C 2.166 177.366 175.328 -0.213 0.000 1.082 244 H CA 2.526 58.476 56.048 -0.164 0.000 1.308 244 H CB -0.939 28.644 29.762 -0.299 0.000 1.375 244 H HN 0.437 nan 8.280 nan 0.000 0.495 245 W N 0.524 121.708 121.300 -0.194 0.000 2.315 245 W HA -0.253 4.407 4.660 -0.000 0.000 0.323 245 W C 2.933 179.283 176.519 -0.282 0.000 1.233 245 W CA 1.863 59.044 57.345 -0.275 0.000 1.267 245 W CB -0.572 28.758 29.460 -0.217 0.000 1.160 245 W HN 0.421 nan 8.180 nan 0.000 0.474 246 T N -3.846 110.738 114.554 0.050 0.000 2.995 246 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 246 T C 1.320 175.878 174.700 -0.237 0.000 1.091 246 T CA 1.659 63.708 62.100 -0.086 0.000 1.128 246 T CB -0.513 68.329 68.868 -0.045 0.000 0.891 246 T HN 0.234 nan 8.240 nan 0.000 0.492 247 T N -2.282 112.037 114.554 -0.393 0.000 3.009 247 T HA 0.399 4.749 4.350 -0.000 0.000 0.267 247 T C 1.371 175.818 174.700 -0.421 0.000 0.942 247 T CA -0.397 61.426 62.100 -0.462 0.000 0.883 247 T CB 0.164 68.617 68.868 -0.692 0.000 1.192 247 T HN 0.253 nan 8.240 nan 0.000 0.524 248 I N 1.770 122.062 120.570 -0.462 0.000 3.443 248 I HA 0.489 4.659 4.170 -0.000 0.000 0.277 248 I C 1.693 177.557 176.117 -0.422 0.000 1.169 248 I CA -0.058 61.006 61.300 -0.393 0.000 1.419 248 I CB -1.448 36.366 38.000 -0.310 0.000 1.331 248 I HN 0.322 nan 8.210 nan 0.000 0.458 249 A N 2.393 124.791 122.820 -0.704 0.000 2.555 249 A HA 0.238 4.557 4.320 -0.000 0.000 0.233 249 A C 0.958 178.473 177.584 -0.116 0.000 1.060 249 A CA 0.481 52.267 52.037 -0.419 0.000 0.759 249 A CB -0.429 18.409 19.000 -0.270 0.000 0.995 249 A HN 0.545 nan 8.150 nan 0.000 0.506 250 T N -0.636 113.911 114.554 -0.011 0.000 2.813 250 T HA 0.261 4.611 4.350 -0.000 0.000 0.297 250 T C 0.905 175.685 174.700 0.133 0.000 1.036 250 T CA 0.135 62.267 62.100 0.054 0.000 1.044 250 T CB 0.102 69.006 68.868 0.060 0.000 0.993 250 T HN 0.411 nan 8.240 nan 0.000 0.535 251 F N 1.575 121.485 119.950 -0.067 0.000 2.063 251 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 251 F C 2.005 177.788 175.800 -0.028 0.000 1.109 251 F CA 2.187 60.145 58.000 -0.071 0.000 1.212 251 F CB -0.869 38.083 39.000 -0.081 0.000 0.973 251 F HN 0.666 nan 8.300 nan 0.000 0.480 252 D N -0.223 120.265 120.400 0.146 0.000 2.097 252 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 252 D C 2.002 178.341 176.300 0.065 0.000 0.989 252 D CA 1.627 55.673 54.000 0.075 0.000 0.827 252 D CB -0.581 40.269 40.800 0.084 0.000 0.966 252 D HN 0.264 nan 8.370 nan 0.000 0.456 253 D N 0.277 120.751 120.400 0.124 0.000 2.104 253 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 253 D C 2.256 178.682 176.300 0.210 0.000 0.994 253 D CA 0.351 54.487 54.000 0.226 0.000 0.830 253 D CB -0.358 40.642 40.800 0.333 0.000 0.959 253 D HN 0.179 nan 8.370 nan 0.000 0.452 254 L N 0.851 122.166 121.223 0.154 0.000 1.989 254 L HA -0.198 4.141 4.340 -0.000 0.000 0.211 254 L C 2.645 179.447 176.870 -0.113 0.000 1.071 254 L CA 1.287 56.137 54.840 0.017 0.000 0.749 254 L CB -0.040 41.977 42.059 -0.071 0.000 0.890 254 L HN -0.046 nan 8.230 nan 0.000 0.431 255 R N -0.202 120.212 120.500 -0.143 0.000 2.096 255 R HA -0.181 4.158 4.340 -0.000 0.000 0.240 255 R C 2.101 178.341 176.300 -0.099 0.000 1.139 255 R CA 1.557 57.568 56.100 -0.147 0.000 0.952 255 R CB -1.194 29.028 30.300 -0.130 0.000 0.854 255 R HN 0.564 nan 8.270 nan 0.000 0.436 256 G N 0.454 109.224 108.800 -0.049 0.000 2.433 256 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 256 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 256 G C 1.330 176.175 174.900 -0.093 0.000 1.186 256 G CA 0.557 45.635 45.100 -0.036 0.000 0.779 256 G HN 0.304 nan 8.290 nan 0.000 0.543 257 F N 1.298 121.044 119.950 -0.340 0.000 2.154 257 F HA -0.016 4.511 4.527 -0.000 0.000 0.301 257 F C 2.352 177.906 175.800 -0.410 0.000 1.087 257 F CA 1.103 58.772 58.000 -0.552 0.000 1.274 257 F CB -0.148 38.056 39.000 -1.328 0.000 1.009 257 F HN 0.045 nan 8.300 nan 0.000 0.485 258 L N -0.119 120.885 121.223 -0.366 0.000 2.291 258 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 258 L C 0.823 177.513 176.870 -0.299 0.000 1.120 258 L CA 0.329 54.958 54.840 -0.351 0.000 0.799 258 L CB -0.734 41.224 42.059 -0.168 0.000 0.925 258 L HN 0.031 nan 8.230 nan 0.000 0.446 259 E N 0.194 120.249 120.200 -0.242 0.000 2.502 259 E HA 0.046 4.396 4.350 -0.000 0.000 0.261 259 E C 1.116 177.587 176.600 -0.215 0.000 0.974 259 E CA 0.667 56.959 56.400 -0.180 0.000 0.936 259 E CB 0.275 29.896 29.700 -0.131 0.000 0.926 259 E HN 0.344 nan 8.360 nan 0.000 0.459 260 G N 2.635 111.337 108.800 -0.163 0.000 2.217 260 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 260 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 260 G C 0.440 175.240 174.900 -0.168 0.000 0.990 260 G CA 0.398 45.404 45.100 -0.156 0.000 0.627 260 G HN 0.701 nan 8.290 nan 0.000 0.522 261 T N -1.195 113.241 114.554 -0.196 0.000 2.945 261 T HA 0.704 5.054 4.350 -0.000 0.000 0.286 261 T C 1.653 176.273 174.700 -0.133 0.000 1.025 261 T CA -0.219 61.771 62.100 -0.184 0.000 1.039 261 T CB 1.744 70.469 68.868 -0.238 0.000 1.068 261 T HN 0.271 nan 8.240 nan 0.000 0.497 262 L N 0.789 121.944 121.223 -0.113 0.000 2.189 262 L HA -0.080 4.260 4.340 -0.000 0.000 0.214 262 L C 2.768 179.573 176.870 -0.108 0.000 1.097 262 L CA 1.582 56.365 54.840 -0.094 0.000 0.764 262 L CB -0.745 41.269 42.059 -0.076 0.000 0.900 262 L HN 0.925 nan 8.230 nan 0.000 0.436 263 A N -0.884 121.875 122.820 -0.102 0.000 2.251 263 A HA -0.071 4.249 4.320 -0.000 0.000 0.209 263 A C 2.095 179.645 177.584 -0.057 0.000 1.187 263 A CA 0.339 52.321 52.037 -0.092 0.000 0.823 263 A CB -0.297 18.732 19.000 0.049 0.000 0.846 263 A HN 0.448 nan 8.150 nan 0.000 0.486 264 E N 0.339 120.486 120.200 -0.088 0.000 2.033 264 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 264 E C 1.818 178.380 176.600 -0.063 0.000 1.011 264 E CA 1.940 58.291 56.400 -0.082 0.000 0.815 264 E CB -0.077 29.565 29.700 -0.096 0.000 0.755 264 E HN 0.528 nan 8.360 nan 0.000 0.451 265 S N 0.289 115.942 115.700 -0.078 0.000 2.406 265 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 265 S C 1.994 176.533 174.600 -0.102 0.000 1.030 265 S CA 0.326 58.483 58.200 -0.073 0.000 0.958 265 S CB -0.134 63.025 63.200 -0.068 0.000 0.811 265 S HN 0.252 nan 8.310 nan 0.000 0.489 266 L N 0.160 121.276 121.223 -0.179 0.000 2.089 266 L HA -0.143 4.197 4.340 -0.000 0.000 0.213 266 L C 1.109 177.765 176.870 -0.357 0.000 1.079 266 L CA 1.500 56.155 54.840 -0.308 0.000 0.758 266 L CB -0.550 41.228 42.059 -0.469 0.000 0.891 266 L HN 0.311 nan 8.230 nan 0.000 0.433 267 F N -0.344 119.536 119.950 -0.117 0.000 2.713 267 F HA 0.428 4.955 4.527 -0.000 0.000 0.294 267 F C 0.690 176.410 175.800 -0.133 0.000 1.152 267 F CA -0.475 57.433 58.000 -0.154 0.000 1.385 267 F CB 0.183 39.059 39.000 -0.208 0.000 0.981 267 F HN -0.039 nan 8.300 nan 0.000 0.514 268 A N -0.894 121.950 122.820 0.039 0.000 2.587 268 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 268 A C 0.624 178.213 177.584 0.007 0.000 1.087 268 A CA -0.021 52.030 52.037 0.023 0.000 0.692 268 A CB 1.163 20.164 19.000 0.002 0.000 1.291 268 A HN 0.440 nan 8.150 nan 0.000 0.407 269 G N -0.580 108.229 108.800 0.016 0.000 2.253 269 G HA2 0.225 4.185 3.960 -0.000 0.000 0.209 269 G HA3 0.225 4.185 3.960 -0.000 0.000 0.209 269 G C 0.377 175.286 174.900 0.015 0.000 0.997 269 G CA 0.720 45.825 45.100 0.009 0.000 0.640 269 G HN 2.558 nan 8.290 nan 0.000 0.496 270 S N -1.331 114.384 115.700 0.025 0.000 2.643 270 S HA 0.593 5.063 4.470 -0.000 0.000 0.270 270 S C 0.518 175.142 174.600 0.040 0.000 1.166 270 S CA 0.167 58.384 58.200 0.027 0.000 0.815 270 S CB 0.894 64.105 63.200 0.020 0.000 1.139 270 S HN -0.008 nan 8.310 nan 0.000 0.472 271 N N 0.889 119.611 118.700 0.036 0.000 2.188 271 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 271 N C 1.485 177.025 175.510 0.049 0.000 1.018 271 N CA 1.665 54.740 53.050 0.042 0.000 0.858 271 N CB -0.566 37.940 38.487 0.032 0.000 0.989 271 N HN 0.791 nan 8.380 nan 0.000 0.426 272 E N 1.448 121.674 120.200 0.043 0.000 2.058 272 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 272 E C 1.818 178.434 176.600 0.026 0.000 0.997 272 E CA 1.554 57.980 56.400 0.044 0.000 0.801 272 E CB -0.397 29.327 29.700 0.041 0.000 0.746 272 E HN 0.305 nan 8.360 nan 0.000 0.450 273 A N -0.225 122.610 122.820 0.025 0.000 1.908 273 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 273 A C 2.440 180.088 177.584 0.107 0.000 1.181 273 A CA 2.041 54.097 52.037 0.031 0.000 0.627 273 A CB -0.724 18.291 19.000 0.027 0.000 0.818 273 A HN 0.301 nan 8.150 nan 0.000 0.445 274 S N -0.801 114.977 115.700 0.130 0.000 2.406 274 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 274 S C 1.944 176.666 174.600 0.202 0.000 1.020 274 S CA 1.300 59.649 58.200 0.248 0.000 0.965 274 S CB -0.145 63.208 63.200 0.253 0.000 0.798 274 S HN 0.675 nan 8.310 nan 0.000 0.488 275 K N 1.632 122.092 120.400 0.101 0.000 2.057 275 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 275 K C 2.229 178.863 176.600 0.057 0.000 1.050 275 K CA 1.137 57.470 56.287 0.077 0.000 0.935 275 K CB -0.336 32.213 32.500 0.082 0.000 0.715 275 K HN 0.291 nan 8.250 nan 0.000 0.439 276 A N 1.699 124.490 122.820 -0.047 0.000 1.972 276 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 276 A C 2.113 179.652 177.584 -0.076 0.000 1.169 276 A CA 1.083 52.920 52.037 -0.334 0.000 0.635 276 A CB -0.530 17.908 19.000 -0.938 0.000 0.810 276 A HN 0.407 nan 8.150 nan 0.000 0.446 277 L N -0.785 120.399 121.223 -0.065 0.000 2.027 277 L HA -0.138 4.201 4.340 -0.000 0.000 0.206 277 L C 2.657 179.440 176.870 -0.146 0.000 1.074 277 L CA 2.091 56.661 54.840 -0.451 0.000 0.745 277 L CB -0.669 41.078 42.059 -0.520 0.000 0.898 277 L HN 0.383 nan 8.230 nan 0.000 0.433 278 T N -0.693 113.916 114.554 0.091 0.000 2.759 278 T HA -0.173 4.176 4.350 -0.000 0.000 0.269 278 T C 1.988 176.649 174.700 -0.065 0.000 1.042 278 T CA 1.732 63.814 62.100 -0.029 0.000 1.140 278 T CB -0.073 68.777 68.868 -0.030 0.000 0.864 278 T HN 0.349 nan 8.240 nan 0.000 0.455 279 S N 1.027 116.754 115.700 0.044 0.000 2.387 279 S HA 0.100 4.570 4.470 -0.000 0.000 0.226 279 S C 2.555 177.233 174.600 0.130 0.000 1.026 279 S CA 0.743 58.980 58.200 0.062 0.000 0.972 279 S CB -0.381 62.890 63.200 0.119 0.000 0.814 279 S HN 0.583 nan 8.310 nan 0.000 0.477 280 A N 2.133 125.027 122.820 0.122 0.000 1.969 280 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 280 A C 2.155 179.725 177.584 -0.023 0.000 1.169 280 A CA 0.902 52.999 52.037 0.100 0.000 0.635 280 A CB -0.304 18.713 19.000 0.028 0.000 0.810 280 A HN 0.271 nan 8.150 nan 0.000 0.445 281 R N -1.228 119.189 120.500 -0.137 0.000 2.062 281 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 281 R C 1.946 178.149 176.300 -0.161 0.000 1.136 281 R CA 1.450 57.420 56.100 -0.218 0.000 0.948 281 R CB -0.924 29.164 30.300 -0.354 0.000 0.845 281 R HN 0.633 nan 8.270 nan 0.000 0.430 282 F N 0.805 120.702 119.950 -0.088 0.000 2.095 282 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 282 F C 2.642 178.416 175.800 -0.043 0.000 1.104 282 F CA 1.034 58.978 58.000 -0.094 0.000 1.232 282 F CB -0.418 38.478 39.000 -0.173 0.000 0.987 282 F HN -0.215 nan 8.300 nan 0.000 0.475 283 V N -0.182 119.839 119.914 0.177 0.000 2.255 283 V HA -0.308 3.811 4.120 -0.000 0.000 0.247 283 V C 2.207 178.367 176.094 0.110 0.000 1.051 283 V CA 1.434 63.822 62.300 0.148 0.000 1.018 283 V CB -0.639 31.284 31.823 0.166 0.000 0.641 283 V HN 0.207 nan 8.190 nan 0.000 0.445 284 L N 0.964 122.229 121.223 0.071 0.000 2.191 284 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 284 L C 2.684 179.611 176.870 0.094 0.000 1.103 284 L CA 2.277 57.151 54.840 0.057 0.000 0.769 284 L CB -1.323 40.739 42.059 0.005 0.000 0.908 284 L HN 0.607 nan 8.230 nan 0.000 0.438 285 S N -1.997 113.741 115.700 0.063 0.000 2.453 285 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 285 S C 1.572 176.292 174.600 0.200 0.000 1.005 285 S CA 0.858 59.122 58.200 0.107 0.000 0.949 285 S CB -0.136 63.088 63.200 0.041 0.000 0.774 285 S HN 0.395 nan 8.310 nan 0.000 0.510 286 D N 1.309 121.806 120.400 0.160 0.000 2.201 286 D HA 0.091 4.731 4.640 -0.000 0.000 0.209 286 D C 1.935 178.318 176.300 0.139 0.000 0.961 286 D CA 0.821 54.904 54.000 0.139 0.000 0.861 286 D CB 0.009 40.876 40.800 0.111 0.000 0.997 286 D HN 0.311 nan 8.370 nan 0.000 0.486 287 K N 0.598 121.085 120.400 0.144 0.000 2.128 287 K HA 0.129 4.449 4.320 -0.000 0.000 0.202 287 K C 2.367 179.121 176.600 0.256 0.000 1.050 287 K CA 0.118 56.497 56.287 0.153 0.000 0.966 287 K CB -0.386 32.174 32.500 0.100 0.000 0.759 287 K HN 0.193 nan 8.250 nan 0.000 0.454 288 L N 1.124 122.507 121.223 0.266 0.000 2.141 288 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 288 L C -0.741 176.298 176.870 0.282 0.000 1.094 288 L CA 0.785 55.828 54.840 0.339 0.000 0.763 288 L CB -1.663 40.652 42.059 0.428 0.000 0.908 288 L HN 0.038 nan 8.230 nan 0.000 0.437 289 P HA -0.263 nan 4.420 nan 0.000 0.219 289 P C 1.304 178.586 177.300 -0.030 0.000 1.159 289 P CA 1.601 64.687 63.100 -0.022 0.000 0.944 289 P CB 0.001 31.747 31.700 0.077 0.000 0.792 290 E N -2.044 118.172 120.200 0.027 0.000 2.204 290 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 290 E C 2.043 178.633 176.600 -0.018 0.000 0.990 290 E CA 1.023 57.417 56.400 -0.010 0.000 0.821 290 E CB -0.851 28.801 29.700 -0.080 0.000 0.750 290 E HN 0.531 nan 8.360 nan 0.000 0.477 291 H N -0.258 118.847 119.070 0.059 0.000 2.395 291 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 291 H C 2.208 177.600 175.328 0.106 0.000 1.070 291 H CA 1.032 57.164 56.048 0.141 0.000 1.356 291 H CB 0.193 30.052 29.762 0.161 0.000 1.401 291 H HN -0.001 nan 8.280 nan 0.000 0.524 292 V N 0.940 120.929 119.914 0.124 0.000 2.229 292 V HA -0.215 3.905 4.120 -0.000 0.000 0.243 292 V C 2.749 178.837 176.094 -0.009 0.000 1.042 292 V CA 2.327 64.627 62.300 0.001 0.000 1.000 292 V CB -0.906 30.751 31.823 -0.277 0.000 0.637 292 V HN 0.575 nan 8.190 nan 0.000 0.446 293 T N -2.385 112.139 114.554 -0.051 0.000 3.139 293 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 293 T C 0.845 175.517 174.700 -0.047 0.000 1.164 293 T CA 0.474 62.542 62.100 -0.054 0.000 1.075 293 T CB -0.383 68.453 68.868 -0.054 0.000 0.904 293 T HN 0.131 nan 8.240 nan 0.000 0.540 294 M N 2.657 122.279 119.600 0.038 0.000 2.217 294 M HA 0.293 4.773 4.480 -0.000 0.000 0.352 294 M C -2.429 173.937 176.300 0.110 0.000 1.376 294 M CA -2.324 53.042 55.300 0.110 0.000 1.107 294 M CB 0.691 33.466 32.600 0.292 0.000 1.723 294 M HN -0.038 nan 8.290 nan 0.000 0.461 295 P HA -0.031 nan 4.420 nan 0.000 0.262 295 P C -0.740 176.632 177.300 0.121 0.000 1.182 295 P CA 0.278 63.419 63.100 0.068 0.000 0.761 295 P CB 0.354 32.080 31.700 0.045 0.000 0.795 296 D N 1.753 122.204 120.400 0.085 0.000 2.345 296 D HA 0.448 5.088 4.640 -0.000 0.000 0.247 296 D C 0.641 176.998 176.300 0.095 0.000 1.108 296 D CA 0.840 54.893 54.000 0.088 0.000 0.894 296 D CB 1.157 41.984 40.800 0.046 0.000 1.203 296 D HN 0.456 nan 8.370 nan 0.000 0.430 297 G N 0.662 109.531 108.800 0.115 0.000 2.495 297 G HA2 0.181 4.141 3.960 -0.000 0.000 0.294 297 G HA3 0.181 4.141 3.960 -0.000 0.000 0.294 297 G C -0.767 174.214 174.900 0.135 0.000 1.397 297 G CA -0.632 44.544 45.100 0.127 0.000 0.790 297 G HN 0.401 nan 8.290 nan 0.000 0.486 298 D N -0.864 119.623 120.400 0.145 0.000 2.463 298 D HA 0.158 4.798 4.640 -0.000 0.000 0.224 298 D C 0.201 176.615 176.300 0.191 0.000 1.174 298 D CA -0.696 53.375 54.000 0.119 0.000 0.829 298 D CB -0.115 40.730 40.800 0.074 0.000 0.993 298 D HN 0.190 nan 8.370 nan 0.000 0.497 299 F N 1.694 121.727 119.950 0.137 0.000 2.538 299 F HA 0.223 4.750 4.527 -0.000 0.000 0.371 299 F C 0.240 176.201 175.800 0.268 0.000 1.087 299 F CA 0.035 58.136 58.000 0.169 0.000 1.250 299 F CB 0.881 39.963 39.000 0.137 0.000 1.110 299 F HN -0.099 nan 8.300 nan 0.000 0.570 300 S N 6.992 122.329 115.700 -0.605 0.000 2.659 300 S HA 0.385 4.854 4.470 -0.000 0.000 0.312 300 S C 0.875 175.096 174.600 -0.632 0.000 1.114 300 S CA -0.869 57.097 58.200 -0.390 0.000 1.063 300 S CB 0.700 63.804 63.200 -0.160 0.000 0.996 300 S HN 0.737 nan 8.310 nan 0.000 0.478 301 I N 4.564 124.890 120.570 -0.407 0.000 2.286 301 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 301 I C 2.625 178.776 176.117 0.057 0.000 1.115 301 I CA 0.952 62.122 61.300 -0.217 0.000 1.392 301 I CB -0.193 37.755 38.000 -0.086 0.000 1.065 301 I HN 0.650 nan 8.210 nan 0.000 0.418 302 R N 0.493 121.007 120.500 0.024 0.000 2.070 302 R HA -0.124 4.216 4.340 -0.000 0.000 0.233 302 R C 2.525 178.857 176.300 0.054 0.000 1.137 302 R CA 1.861 58.000 56.100 0.066 0.000 0.945 302 R CB -0.525 29.793 30.300 0.030 0.000 0.845 302 R HN 0.266 nan 8.270 nan 0.000 0.430 303 S N 0.282 115.985 115.700 0.006 0.000 2.382 303 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 303 S C 1.372 176.010 174.600 0.063 0.000 1.027 303 S CA 1.155 59.364 58.200 0.014 0.000 0.991 303 S CB -0.349 62.844 63.200 -0.010 0.000 0.823 303 S HN 0.490 nan 8.310 nan 0.000 0.469 304 W N 2.452 123.677 121.300 -0.125 0.000 2.342 304 W HA -0.090 4.570 4.660 0.000 0.000 0.297 304 W C 1.541 178.068 176.519 0.015 0.000 1.213 304 W CA 1.068 58.398 57.345 -0.027 0.000 1.251 304 W CB -0.423 29.021 29.460 -0.027 0.000 1.136 304 W HN 0.195 nan 8.180 nan 0.000 0.526 305 L N 0.324 121.584 121.223 0.062 0.000 2.093 305 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 305 L C 2.300 179.068 176.870 -0.170 0.000 1.085 305 L CA 1.680 56.440 54.840 -0.134 0.000 0.755 305 L CB -0.787 41.324 42.059 0.087 0.000 0.904 305 L HN 0.024 nan 8.230 nan 0.000 0.435 306 E N -0.730 119.422 120.200 -0.081 0.000 2.285 306 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 306 E C 0.368 176.912 176.600 -0.093 0.000 0.997 306 E CA 0.175 56.534 56.400 -0.068 0.000 0.845 306 E CB -0.001 29.685 29.700 -0.024 0.000 0.782 306 E HN 0.251 nan 8.360 nan 0.000 0.491 307 D N 0.867 121.190 120.400 -0.128 0.000 2.352 307 D HA 0.039 4.679 4.640 -0.000 0.000 0.245 307 D C -1.866 174.328 176.300 -0.178 0.000 1.224 307 D CA -2.463 51.466 54.000 -0.118 0.000 0.879 307 D CB 1.290 42.045 40.800 -0.075 0.000 1.057 307 D HN -0.202 nan 8.370 nan 0.000 0.491 308 P HA -0.106 nan 4.420 nan 0.000 0.215 308 P C 0.687 177.926 177.300 -0.103 0.000 1.153 308 P CA 0.897 63.929 63.100 -0.114 0.000 0.853 308 P CB 0.239 31.899 31.700 -0.066 0.000 0.788 309 N N -0.596 118.065 118.700 -0.065 0.000 2.521 309 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 309 N C 1.163 176.661 175.510 -0.020 0.000 1.146 309 N CA 0.485 53.518 53.050 -0.027 0.000 0.893 309 N CB -0.393 38.094 38.487 -0.001 0.000 0.975 309 N HN 0.134 nan 8.380 nan 0.000 0.451 310 G N -0.161 108.582 108.800 -0.095 0.000 2.554 310 G HA2 0.358 4.318 3.960 -0.000 0.000 0.238 310 G HA3 0.358 4.318 3.960 -0.000 0.000 0.238 310 G C 0.856 175.747 174.900 -0.015 0.000 1.259 310 G CA -0.084 44.967 45.100 -0.082 0.000 0.843 310 G HN 0.143 nan 8.290 nan 0.000 0.582 311 G N 0.674 109.621 108.800 0.245 0.000 3.048 311 G HA2 0.279 4.239 3.960 -0.000 0.000 0.151 311 G HA3 0.279 4.239 3.960 -0.000 0.000 0.151 311 G C 0.136 175.262 174.900 0.377 0.000 1.803 311 G CA -0.404 44.861 45.100 0.276 0.000 1.047 311 G HN 0.612 nan 8.290 nan 0.000 0.513 312 N N -0.780 118.202 118.700 0.471 0.000 2.240 312 N HA 0.392 5.132 4.740 -0.000 0.000 0.302 312 N C -1.421 174.286 175.510 0.328 0.000 1.106 312 N CA -0.505 52.813 53.050 0.447 0.000 0.778 312 N CB 2.548 41.104 38.487 0.115 0.000 1.431 312 N HN 0.239 nan 8.380 nan 0.000 0.479 313 L N 1.693 122.970 121.223 0.091 0.000 2.282 313 L HA 0.504 4.843 4.340 -0.000 0.000 0.288 313 L C -1.189 175.487 176.870 -0.322 0.000 1.033 313 L CA -0.619 54.033 54.840 -0.313 0.000 0.807 313 L CB 0.303 41.852 42.059 -0.850 0.000 1.209 313 L HN 0.406 nan 8.230 nan 0.000 0.423 314 F N 5.633 125.526 119.950 -0.095 0.000 2.375 314 F HA 0.420 4.947 4.527 -0.000 0.000 0.361 314 F C 0.218 175.997 175.800 -0.035 0.000 1.117 314 F CA -0.432 57.557 58.000 -0.018 0.000 1.037 314 F CB 1.243 40.244 39.000 0.002 0.000 1.192 314 F HN 0.218 nan 8.300 nan 0.000 0.452 315 I N 4.002 124.683 120.570 0.186 0.000 2.291 315 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 315 I C 0.295 176.672 176.117 0.432 0.000 1.050 315 I CA -0.200 61.240 61.300 0.235 0.000 1.245 315 I CB 0.689 38.857 38.000 0.280 0.000 1.405 315 I HN 0.608 nan 8.210 nan 0.000 0.478 316 T N 2.403 117.195 114.554 0.397 0.000 2.940 316 T HA 0.795 5.145 4.350 -0.000 0.000 0.288 316 T C -1.025 173.993 174.700 0.531 0.000 1.045 316 T CA -0.679 61.632 62.100 0.351 0.000 1.018 316 T CB 2.196 71.154 68.868 0.150 0.000 1.151 316 T HN 0.698 nan 8.240 nan 0.000 0.529 317 W N -0.819 120.497 121.300 0.028 0.000 3.338 317 W HA 0.577 5.237 4.660 -0.000 0.000 0.299 317 W C -1.811 174.610 176.519 -0.163 0.000 1.226 317 W CA -1.196 56.120 57.345 -0.049 0.000 1.183 317 W CB 0.718 30.187 29.460 0.015 0.000 1.360 317 W HN 0.795 nan 8.180 nan 0.000 0.569 318 R N 2.384 122.745 120.500 -0.232 0.000 2.340 318 R HA 0.138 4.478 4.340 -0.000 0.000 0.300 318 R C 1.052 177.282 176.300 -0.116 0.000 1.069 318 R CA -0.286 55.615 56.100 -0.333 0.000 0.984 318 R CB 1.194 31.251 30.300 -0.405 0.000 1.003 318 R HN 0.740 nan 8.270 nan 0.000 0.459 319 E N 1.634 121.725 120.200 -0.180 0.000 2.147 319 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 319 E C 1.084 177.721 176.600 0.062 0.000 1.005 319 E CA 1.818 58.212 56.400 -0.011 0.000 0.810 319 E CB 0.084 29.748 29.700 -0.061 0.000 0.736 319 E HN 0.647 nan 8.360 nan 0.000 0.460 320 D N -0.263 120.133 120.400 -0.006 0.000 2.378 320 D HA -0.173 4.467 4.640 -0.000 0.000 0.222 320 D C 1.383 177.683 176.300 0.000 0.000 0.980 320 D CA 0.889 54.886 54.000 -0.005 0.000 0.907 320 D CB -0.119 40.661 40.800 -0.033 0.000 0.899 320 D HN 0.282 nan 8.370 nan 0.000 0.527 321 M N -0.329 119.287 119.600 0.027 0.000 2.346 321 M HA 0.285 4.765 4.480 -0.000 0.000 0.280 321 M C 1.865 178.196 176.300 0.051 0.000 1.075 321 M CA 0.054 55.353 55.300 -0.002 0.000 0.989 321 M CB 1.249 33.789 32.600 -0.100 0.000 1.447 321 M HN 0.051 nan 8.290 nan 0.000 0.511 322 G N 2.854 111.754 108.800 0.166 0.000 2.491 322 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 322 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 322 G C -0.577 174.276 174.900 -0.079 0.000 1.180 322 G CA 0.812 45.957 45.100 0.075 0.000 0.774 322 G HN 0.321 nan 8.290 nan 0.000 0.562 323 P HA -0.092 nan 4.420 nan 0.000 0.215 323 P C 2.041 179.305 177.300 -0.061 0.000 1.153 323 P CA 2.069 65.146 63.100 -0.039 0.000 0.853 323 P CB -0.200 31.493 31.700 -0.011 0.000 0.788 324 A N 0.167 122.953 122.820 -0.055 0.000 1.898 324 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 324 A C 2.305 179.838 177.584 -0.086 0.000 1.181 324 A CA 1.279 53.286 52.037 -0.051 0.000 0.620 324 A CB -1.439 17.535 19.000 -0.042 0.000 0.819 324 A HN 0.177 nan 8.150 nan 0.000 0.442 325 L N -1.240 119.895 121.223 -0.147 0.000 2.592 325 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 325 L C 2.278 178.951 176.870 -0.330 0.000 1.127 325 L CA 0.117 54.817 54.840 -0.233 0.000 0.884 325 L CB -0.284 41.625 42.059 -0.249 0.000 1.065 325 L HN 0.425 nan 8.230 nan 0.000 0.457 326 R N 1.565 121.908 120.500 -0.262 0.000 2.096 326 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 326 R C -0.428 175.749 176.300 -0.206 0.000 1.139 326 R CA 1.891 57.845 56.100 -0.243 0.000 0.952 326 R CB -0.903 29.308 30.300 -0.148 0.000 0.854 326 R HN 0.224 nan 8.270 nan 0.000 0.436 327 P HA -0.172 nan 4.420 nan 0.000 0.219 327 P C 1.505 178.698 177.300 -0.178 0.000 1.150 327 P CA 1.165 64.203 63.100 -0.104 0.000 0.814 327 P CB -0.068 31.617 31.700 -0.025 0.000 0.787 328 L N -0.558 120.452 121.223 -0.355 0.000 2.023 328 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 328 L C 2.694 179.071 176.870 -0.821 0.000 1.073 328 L CA 1.292 55.709 54.840 -0.707 0.000 0.745 328 L CB -0.603 40.969 42.059 -0.811 0.000 0.900 328 L HN -0.192 nan 8.230 nan 0.000 0.435 329 I N -0.637 119.569 120.570 -0.607 0.000 2.264 329 I HA -0.327 3.843 4.170 -0.000 0.000 0.248 329 I C 2.490 178.491 176.117 -0.193 0.000 1.111 329 I CA 1.344 62.411 61.300 -0.389 0.000 1.382 329 I CB -0.244 37.490 38.000 -0.444 0.000 1.060 329 I HN 0.231 nan 8.210 nan 0.000 0.418 330 S N 0.629 116.220 115.700 -0.182 0.000 2.383 330 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 330 S C 2.259 176.852 174.600 -0.012 0.000 1.026 330 S CA 1.101 59.263 58.200 -0.062 0.000 0.981 330 S CB -0.304 62.861 63.200 -0.059 0.000 0.818 330 S HN 0.544 nan 8.310 nan 0.000 0.472 331 A N 1.772 124.550 122.820 -0.071 0.000 1.851 331 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 331 A C 1.888 179.549 177.584 0.128 0.000 1.195 331 A CA 1.466 53.528 52.037 0.041 0.000 0.622 331 A CB -1.034 18.004 19.000 0.063 0.000 0.831 331 A HN 0.614 nan 8.150 nan 0.000 0.444 332 W N -0.017 121.266 121.300 -0.028 0.000 2.335 332 W HA -0.125 4.535 4.660 -0.000 0.000 0.311 332 W C 2.390 178.892 176.519 -0.027 0.000 1.213 332 W CA 1.210 58.479 57.345 -0.127 0.000 1.274 332 W CB -1.471 27.843 29.460 -0.244 0.000 1.148 332 W HN 0.195 nan 8.180 nan 0.000 0.498 333 V N 0.316 120.366 119.914 0.226 0.000 2.343 333 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 333 V C 1.863 178.048 176.094 0.153 0.000 1.051 333 V CA 2.417 64.816 62.300 0.166 0.000 1.036 333 V CB -1.082 30.820 31.823 0.132 0.000 0.654 333 V HN 0.020 nan 8.190 nan 0.000 0.451 334 D N -0.125 120.365 120.400 0.150 0.000 2.117 334 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 334 D C 2.040 178.451 176.300 0.185 0.000 0.982 334 D CA 1.220 55.304 54.000 0.140 0.000 0.828 334 D CB -0.034 40.837 40.800 0.120 0.000 0.967 334 D HN 0.187 nan 8.370 nan 0.000 0.464 335 V N -0.058 120.021 119.914 0.275 0.000 2.324 335 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 335 V C 2.536 178.811 176.094 0.302 0.000 1.060 335 V CA 1.387 63.927 62.300 0.399 0.000 1.042 335 V CB -0.489 31.598 31.823 0.440 0.000 0.650 335 V HN 0.183 nan 8.190 nan 0.000 0.450 336 V N -1.076 118.968 119.914 0.216 0.000 2.343 336 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 336 V C 2.520 178.702 176.094 0.147 0.000 1.051 336 V CA 2.243 64.652 62.300 0.182 0.000 1.036 336 V CB -0.801 31.117 31.823 0.158 0.000 0.654 336 V HN 0.661 nan 8.190 nan 0.000 0.451 337 C N 0.187 119.558 119.300 0.119 0.000 2.425 337 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 337 C C 2.926 177.952 174.990 0.060 0.000 1.280 337 C CA 1.731 60.791 59.018 0.069 0.000 1.744 337 C CB -1.312 26.460 27.740 0.053 0.000 1.989 337 C HN 0.705 nan 8.230 nan 0.000 0.491 338 T N 0.125 114.725 114.554 0.076 0.000 2.852 338 T HA -0.083 4.267 4.350 -0.000 0.000 0.256 338 T C 1.963 176.720 174.700 0.094 0.000 1.038 338 T CA 1.524 63.647 62.100 0.038 0.000 1.141 338 T CB -0.443 68.380 68.868 -0.075 0.000 0.869 338 T HN 0.495 nan 8.240 nan 0.000 0.439 339 S N 2.473 118.281 115.700 0.181 0.000 2.374 339 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 339 S C 2.168 176.849 174.600 0.135 0.000 1.037 339 S CA 1.609 59.934 58.200 0.210 0.000 1.024 339 S CB -0.677 62.678 63.200 0.260 0.000 0.861 339 S HN 0.725 nan 8.310 nan 0.000 0.456 340 I N -0.323 120.312 120.570 0.107 0.000 2.657 340 I HA -0.057 4.112 4.170 -0.000 0.000 0.261 340 I C 1.622 177.766 176.117 0.045 0.000 1.212 340 I CA 1.140 62.480 61.300 0.067 0.000 1.453 340 I CB -0.493 37.535 38.000 0.047 0.000 1.092 340 I HN 0.068 nan 8.210 nan 0.000 0.452 341 L N 0.169 121.423 121.223 0.052 0.000 2.395 341 L HA 0.066 4.406 4.340 -0.000 0.000 0.218 341 L C 2.085 178.984 176.870 0.047 0.000 1.130 341 L CA 1.293 56.154 54.840 0.035 0.000 0.826 341 L CB -0.630 41.447 42.059 0.029 0.000 0.941 341 L HN 0.290 nan 8.230 nan 0.000 0.451 342 S N -1.334 114.412 115.700 0.076 0.000 2.539 342 S HA 0.284 4.754 4.470 -0.000 0.000 0.221 342 S C 0.711 175.349 174.600 0.063 0.000 0.987 342 S CA -0.412 57.841 58.200 0.088 0.000 0.929 342 S CB 0.137 63.422 63.200 0.141 0.000 0.832 342 S HN 0.118 nan 8.310 nan 0.000 0.492 343 L N 3.721 124.972 121.223 0.047 0.000 2.461 343 L HA 0.196 4.536 4.340 -0.000 0.000 0.272 343 L C -1.845 175.033 176.870 0.013 0.000 1.197 343 L CA -1.444 53.411 54.840 0.026 0.000 0.836 343 L CB -0.112 41.953 42.059 0.011 0.000 1.105 343 L HN 0.057 nan 8.230 nan 0.000 0.477 344 P HA 0.013 nan 4.420 nan 0.000 0.271 344 P C -0.670 176.625 177.300 -0.009 0.000 1.216 344 P CA -0.474 62.626 63.100 0.001 0.000 0.776 344 P CB 0.754 32.453 31.700 -0.002 0.000 0.881 345 E N 2.126 122.320 120.200 -0.009 0.000 2.757 345 E HA -0.082 4.268 4.350 -0.000 0.000 0.238 345 E C -0.467 176.121 176.600 -0.020 0.000 1.057 345 E CA 0.732 57.123 56.400 -0.015 0.000 0.952 345 E CB -0.327 29.365 29.700 -0.014 0.000 0.934 345 E HN 0.274 nan 8.360 nan 0.000 0.518 346 E N 5.642 125.827 120.200 -0.026 0.000 2.460 346 E HA 0.333 4.683 4.350 -0.000 0.000 0.249 346 E C -2.376 174.203 176.600 -0.035 0.000 0.962 346 E CA -2.200 54.182 56.400 -0.029 0.000 0.787 346 E CB 1.235 30.915 29.700 -0.033 0.000 1.341 346 E HN 0.295 nan 8.360 nan 0.000 0.407 347 P HA -0.151 nan 4.420 nan 0.000 0.219 347 P C 0.683 177.960 177.300 -0.037 0.000 1.146 347 P CA 0.914 63.993 63.100 -0.035 0.000 0.808 347 P CB 0.362 32.044 31.700 -0.029 0.000 0.779 348 K N -0.945 119.435 120.400 -0.033 0.000 2.432 348 K HA -0.003 4.316 4.320 -0.000 0.000 0.196 348 K C 1.044 177.623 176.600 -0.035 0.000 1.038 348 K CA 0.163 56.432 56.287 -0.030 0.000 0.986 348 K CB -0.144 32.342 32.500 -0.025 0.000 0.782 348 K HN 0.217 nan 8.250 nan 0.000 0.485 349 R N 1.609 122.082 120.500 -0.045 0.000 2.442 349 R HA 0.082 4.422 4.340 -0.000 0.000 0.291 349 R C -0.509 175.751 176.300 -0.066 0.000 1.069 349 R CA 0.179 56.247 56.100 -0.054 0.000 1.022 349 R CB 0.460 30.724 30.300 -0.061 0.000 0.976 349 R HN -0.062 nan 8.270 nan 0.000 0.443 350 R N 5.299 125.765 120.500 -0.056 0.000 2.521 350 R HA 0.307 4.647 4.340 -0.000 0.000 0.295 350 R C -1.163 175.101 176.300 -0.060 0.000 1.183 350 R CA -0.600 55.450 56.100 -0.083 0.000 0.957 350 R CB 1.370 31.669 30.300 -0.002 0.000 1.171 350 R HN 0.446 nan 8.270 nan 0.000 0.494 351 L N 3.316 124.453 121.223 -0.143 0.000 2.333 351 L HA 0.530 4.870 4.340 -0.000 0.000 0.280 351 L C -1.226 175.552 176.870 -0.153 0.000 1.004 351 L CA -0.771 54.039 54.840 -0.049 0.000 0.820 351 L CB 1.352 43.399 42.059 -0.020 0.000 1.247 351 L HN 0.548 nan 8.230 nan 0.000 0.416 352 W N 5.473 126.809 121.300 0.060 0.000 2.496 352 W HA 0.499 5.159 4.660 -0.000 0.000 0.327 352 W C -0.442 176.098 176.519 0.034 0.000 1.086 352 W CA -0.357 56.996 57.345 0.014 0.000 1.222 352 W CB 1.378 30.910 29.460 0.120 0.000 1.304 352 W HN 0.185 nan 8.180 nan 0.000 0.547 353 L N 4.377 125.661 121.223 0.102 0.000 2.345 353 L HA 0.450 4.790 4.340 -0.000 0.000 0.274 353 L C -1.600 175.279 176.870 0.014 0.000 0.999 353 L CA -0.791 54.117 54.840 0.114 0.000 0.849 353 L CB 0.402 42.497 42.059 0.060 0.000 1.220 353 L HN 0.329 nan 8.230 nan 0.000 0.422 354 F N 5.625 125.692 119.950 0.195 0.000 2.371 354 F HA 0.402 4.929 4.527 -0.000 0.000 0.363 354 F C 0.484 176.385 175.800 0.167 0.000 1.122 354 F CA -0.278 57.828 58.000 0.178 0.000 1.129 354 F CB 1.003 40.077 39.000 0.123 0.000 1.173 354 F HN 0.251 nan 8.300 nan 0.000 0.489 355 I N 4.744 125.481 120.570 0.278 0.000 2.388 355 I HA 0.099 4.269 4.170 -0.000 0.000 0.281 355 I C 0.821 177.081 176.117 0.238 0.000 1.046 355 I CA -0.506 60.940 61.300 0.244 0.000 1.187 355 I CB 0.967 39.082 38.000 0.191 0.000 1.351 355 I HN 0.589 nan 8.210 nan 0.000 0.472 356 D N 4.511 125.067 120.400 0.260 0.000 2.116 356 D HA -0.242 4.398 4.640 -0.000 0.000 0.193 356 D C 0.495 176.895 176.300 0.166 0.000 0.998 356 D CA 1.676 55.805 54.000 0.215 0.000 0.836 356 D CB 0.356 41.276 40.800 0.200 0.000 0.951 356 D HN 0.401 nan 8.370 nan 0.000 0.449 357 E N -0.791 119.512 120.200 0.172 0.000 2.460 357 E HA 0.223 4.573 4.350 -0.000 0.000 0.249 357 E C 0.387 177.060 176.600 0.121 0.000 0.962 357 E CA -0.487 55.990 56.400 0.128 0.000 0.787 357 E CB 1.047 30.825 29.700 0.130 0.000 1.341 357 E HN 0.010 nan 8.360 nan 0.000 0.407 358 L N 3.536 124.815 121.223 0.095 0.000 2.013 358 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 358 L C 1.673 178.626 176.870 0.138 0.000 1.073 358 L CA 2.710 57.612 54.840 0.104 0.000 0.753 358 L CB -0.435 41.645 42.059 0.035 0.000 0.890 358 L HN 0.594 nan 8.230 nan 0.000 0.432 359 A N -2.308 120.579 122.820 0.111 0.000 2.239 359 A HA -0.003 4.317 4.320 -0.000 0.000 0.209 359 A C 2.221 179.858 177.584 0.088 0.000 1.171 359 A CA 1.178 53.290 52.037 0.125 0.000 0.768 359 A CB -0.539 18.515 19.000 0.090 0.000 0.790 359 A HN 0.498 nan 8.150 nan 0.000 0.478 360 S N -0.579 115.173 115.700 0.086 0.000 2.501 360 S HA 0.264 4.734 4.470 -0.000 0.000 0.220 360 S C 0.788 175.399 174.600 0.019 0.000 0.997 360 S CA -0.055 58.182 58.200 0.062 0.000 0.919 360 S CB -0.181 63.078 63.200 0.098 0.000 0.778 360 S HN 0.508 nan 8.310 nan 0.000 0.523 361 L N 1.097 122.340 121.223 0.033 0.000 2.567 361 L HA 0.373 4.713 4.340 -0.000 0.000 0.238 361 L C 0.868 177.724 176.870 -0.024 0.000 1.168 361 L CA -0.716 54.120 54.840 -0.006 0.000 0.817 361 L CB 0.320 42.403 42.059 0.040 0.000 1.409 361 L HN 0.113 nan 8.230 nan 0.000 0.502 362 E N 0.021 120.191 120.200 -0.051 0.000 2.602 362 E HA 0.109 4.459 4.350 -0.000 0.000 0.255 362 E C -0.609 175.884 176.600 -0.178 0.000 1.268 362 E CA -0.733 55.608 56.400 -0.100 0.000 1.007 362 E CB 0.613 30.266 29.700 -0.079 0.000 1.208 362 E HN 0.263 nan 8.360 nan 0.000 0.584 363 K N 1.979 122.195 120.400 -0.308 0.000 2.166 363 K HA 0.082 4.402 4.320 -0.000 0.000 0.273 363 K C -0.381 176.112 176.600 -0.178 0.000 1.095 363 K CA -0.093 55.859 56.287 -0.560 0.000 0.985 363 K CB -0.478 31.723 32.500 -0.498 0.000 1.172 363 K HN 0.304 nan 8.250 nan 0.000 0.401 364 L N 3.789 125.028 121.223 0.025 0.000 2.513 364 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 364 L C 1.504 178.444 176.870 0.118 0.000 1.187 364 L CA -0.302 54.603 54.840 0.109 0.000 0.895 364 L CB 0.854 43.015 42.059 0.170 0.000 1.147 364 L HN 0.751 nan 8.230 nan 0.000 0.483 365 A N 2.370 125.227 122.820 0.060 0.000 2.014 365 A HA -0.064 4.255 4.320 -0.000 0.000 0.218 365 A C 1.887 179.496 177.584 0.042 0.000 1.163 365 A CA 1.397 53.460 52.037 0.043 0.000 0.652 365 A CB -0.065 18.944 19.000 0.015 0.000 0.808 365 A HN 0.768 nan 8.150 nan 0.000 0.449 366 S N -0.947 114.780 115.700 0.044 0.000 2.559 366 S HA 0.246 4.716 4.470 -0.000 0.000 0.226 366 S C 1.405 176.018 174.600 0.021 0.000 1.000 366 S CA -0.251 57.963 58.200 0.023 0.000 0.948 366 S CB 0.027 63.234 63.200 0.011 0.000 0.870 366 S HN 0.462 nan 8.310 nan 0.000 0.497 367 L N 1.905 123.155 121.223 0.044 0.000 2.042 367 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 367 L C 2.659 179.505 176.870 -0.040 0.000 1.076 367 L CA 1.721 56.569 54.840 0.012 0.000 0.749 367 L CB -0.659 41.438 42.059 0.063 0.000 0.893 367 L HN 0.430 nan 8.230 nan 0.000 0.432 368 A N -0.151 122.662 122.820 -0.011 0.000 1.873 368 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 368 A C 1.883 179.436 177.584 -0.051 0.000 1.193 368 A CA 2.237 54.254 52.037 -0.033 0.000 0.629 368 A CB -0.771 18.228 19.000 -0.001 0.000 0.826 368 A HN 0.521 nan 8.150 nan 0.000 0.447 369 D N -0.178 120.201 120.400 -0.033 0.000 2.178 369 D HA -0.034 4.605 4.640 -0.000 0.000 0.201 369 D C 2.219 178.489 176.300 -0.051 0.000 0.980 369 D CA 1.364 55.343 54.000 -0.035 0.000 0.842 369 D CB -0.370 40.416 40.800 -0.023 0.000 0.948 369 D HN 0.460 nan 8.370 nan 0.000 0.472 370 A N 0.981 123.762 122.820 -0.066 0.000 1.902 370 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 370 A C 2.272 179.765 177.584 -0.151 0.000 1.181 370 A CA 0.806 52.791 52.037 -0.088 0.000 0.623 370 A CB -0.718 18.229 19.000 -0.088 0.000 0.818 370 A HN 0.212 nan 8.150 nan 0.000 0.443 371 L N -0.883 120.196 121.223 -0.240 0.000 2.610 371 L HA -0.003 4.337 4.340 -0.000 0.000 0.232 371 L C 1.767 178.596 176.870 -0.069 0.000 1.149 371 L CA 1.021 55.641 54.840 -0.368 0.000 0.872 371 L CB -0.164 41.587 42.059 -0.514 0.000 0.992 371 L HN 0.315 nan 8.230 nan 0.000 0.447 372 T N -1.917 112.607 114.554 -0.050 0.000 2.964 372 T HA 0.104 4.453 4.350 -0.000 0.000 0.250 372 T C 1.177 175.867 174.700 -0.017 0.000 0.982 372 T CA 0.143 62.230 62.100 -0.021 0.000 0.959 372 T CB 0.546 69.396 68.868 -0.030 0.000 1.141 372 T HN 0.141 nan 8.240 nan 0.000 0.494 373 K N 0.926 121.312 120.400 -0.023 0.000 2.564 373 K HA 0.364 4.684 4.320 -0.000 0.000 0.205 373 K C 1.274 177.861 176.600 -0.022 0.000 1.053 373 K CA -0.194 56.079 56.287 -0.023 0.000 1.072 373 K CB 1.027 33.512 32.500 -0.024 0.000 0.822 373 K HN 0.164 nan 8.250 nan 0.000 0.497 374 G N 0.624 109.415 108.800 -0.014 0.000 3.126 374 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.224 374 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.224 374 G C 1.191 176.069 174.900 -0.037 0.000 1.142 374 G CA -0.217 44.872 45.100 -0.019 0.000 0.759 374 G HN 0.103 nan 8.290 nan 0.000 0.550 375 R N 0.792 121.263 120.500 -0.048 0.000 2.080 375 R HA -0.077 4.263 4.340 -0.000 0.000 0.236 375 R C 2.291 178.547 176.300 -0.073 0.000 1.137 375 R CA 1.717 57.768 56.100 -0.081 0.000 0.943 375 R CB -0.209 30.043 30.300 -0.080 0.000 0.846 375 R HN 0.282 nan 8.270 nan 0.000 0.431 376 K N -0.452 119.916 120.400 -0.053 0.000 2.152 376 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 376 K C 1.577 178.150 176.600 -0.045 0.000 1.048 376 K CA 1.503 57.763 56.287 -0.045 0.000 0.933 376 K CB -0.045 32.435 32.500 -0.034 0.000 0.721 376 K HN 0.270 nan 8.250 nan 0.000 0.447 377 A N -0.391 122.403 122.820 -0.044 0.000 2.251 377 A HA 0.225 4.545 4.320 -0.000 0.000 0.209 377 A C 1.193 178.739 177.584 -0.063 0.000 1.187 377 A CA 0.688 52.701 52.037 -0.041 0.000 0.823 377 A CB -0.133 18.853 19.000 -0.024 0.000 0.846 377 A HN 0.464 nan 8.150 nan 0.000 0.486 378 G N -0.855 107.895 108.800 -0.085 0.000 2.147 378 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.244 378 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.244 378 G C 0.128 174.924 174.900 -0.173 0.000 1.005 378 G CA 0.257 45.281 45.100 -0.127 0.000 0.713 378 G HN 0.606 nan 8.290 nan 0.000 0.515 379 L N -0.004 121.141 121.223 -0.129 0.000 2.453 379 L HA 0.516 4.856 4.340 -0.000 0.000 0.272 379 L C 0.566 177.326 176.870 -0.183 0.000 1.182 379 L CA -0.077 54.687 54.840 -0.127 0.000 0.858 379 L CB 0.364 42.394 42.059 -0.048 0.000 1.120 379 L HN 0.290 nan 8.230 nan 0.000 0.474 380 R N 3.928 124.232 120.500 -0.327 0.000 2.468 380 R HA 0.449 4.789 4.340 -0.000 0.000 0.302 380 R C -1.319 174.846 176.300 -0.224 0.000 1.041 380 R CA -0.597 55.210 56.100 -0.489 0.000 0.899 380 R CB 2.045 31.478 30.300 -1.445 0.000 1.167 380 R HN 0.351 nan 8.270 nan 0.000 0.483 381 V N 3.903 123.883 119.914 0.110 0.000 2.427 381 V HA 0.438 4.558 4.120 -0.000 0.000 0.286 381 V C -0.214 175.945 176.094 0.107 0.000 1.034 381 V CA -0.729 61.549 62.300 -0.037 0.000 0.893 381 V CB 1.962 33.577 31.823 -0.347 0.000 0.982 381 V HN 0.401 nan 8.190 nan 0.000 0.452 382 V N 4.096 124.041 119.914 0.052 0.000 2.483 382 V HA 0.871 4.991 4.120 -0.000 0.000 0.297 382 V C 0.091 176.289 176.094 0.175 0.000 1.027 382 V CA -0.312 62.061 62.300 0.123 0.000 0.855 382 V CB 1.591 33.350 31.823 -0.107 0.000 0.995 382 V HN 1.031 nan 8.190 nan 0.000 0.424 383 A N 3.510 126.467 122.820 0.229 0.000 2.454 383 A HA 0.975 5.295 4.320 -0.000 0.000 0.302 383 A C -0.072 177.526 177.584 0.022 0.000 1.079 383 A CA -0.239 51.871 52.037 0.122 0.000 0.731 383 A CB 2.019 21.070 19.000 0.085 0.000 1.299 383 A HN 1.056 nan 8.150 nan 0.000 0.413 384 G N 0.078 108.904 108.800 0.043 0.000 2.420 384 G HA2 0.618 4.578 3.960 -0.000 0.000 0.331 384 G HA3 0.618 4.578 3.960 -0.000 0.000 0.331 384 G C -1.373 173.523 174.900 -0.006 0.000 1.168 384 G CA -0.307 44.808 45.100 0.025 0.000 0.936 384 G HN 0.515 nan 8.290 nan 0.000 0.479 385 L N -0.361 120.848 121.223 -0.023 0.000 2.403 385 L HA 0.546 4.886 4.340 -0.000 0.000 0.253 385 L C 0.677 177.544 176.870 -0.005 0.000 1.045 385 L CA -0.627 54.199 54.840 -0.025 0.000 0.845 385 L CB 1.895 43.910 42.059 -0.073 0.000 1.447 385 L HN 0.739 nan 8.230 nan 0.000 0.411 386 Q N -0.546 119.256 119.800 0.002 0.000 2.579 386 Q HA 0.338 4.678 4.340 -0.000 0.000 0.198 386 Q C -0.559 175.442 176.000 0.002 0.000 0.769 386 Q CA 0.068 55.876 55.803 0.008 0.000 0.861 386 Q CB 1.129 29.878 28.738 0.018 0.000 1.227 386 Q HN 0.685 nan 8.270 nan 0.000 0.615 387 S N 0.707 116.409 115.700 0.004 0.000 2.472 387 S HA 0.170 4.640 4.470 -0.000 0.000 0.303 387 S C 0.596 175.195 174.600 -0.002 0.000 1.099 387 S CA -0.060 58.141 58.200 0.002 0.000 1.077 387 S CB 1.717 64.921 63.200 0.007 0.000 1.031 387 S HN 0.543 nan 8.310 nan 0.000 0.487 388 T N -0.524 114.026 114.554 -0.007 0.000 2.929 388 T HA -0.142 4.208 4.350 -0.000 0.000 0.271 388 T C 1.859 176.562 174.700 0.004 0.000 1.085 388 T CA 1.382 63.477 62.100 -0.009 0.000 1.125 388 T CB -0.529 68.331 68.868 -0.013 0.000 0.874 388 T HN 0.610 nan 8.240 nan 0.000 0.494 389 S N 1.286 116.990 115.700 0.008 0.000 2.453 389 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 389 S C 2.080 176.694 174.600 0.023 0.000 1.005 389 S CA 0.377 58.586 58.200 0.014 0.000 0.949 389 S CB -0.487 62.719 63.200 0.010 0.000 0.774 389 S HN 0.623 nan 8.310 nan 0.000 0.510 390 Q N 0.533 120.348 119.800 0.025 0.000 1.993 390 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 390 Q C 2.217 178.254 176.000 0.062 0.000 0.984 390 Q CA 1.480 57.305 55.803 0.036 0.000 0.837 390 Q CB -0.418 28.341 28.738 0.034 0.000 0.902 390 Q HN 0.457 nan 8.270 nan 0.000 0.423 391 L N 1.297 122.562 121.223 0.069 0.000 2.083 391 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 391 L C 1.445 178.413 176.870 0.164 0.000 1.083 391 L CA 1.831 56.750 54.840 0.132 0.000 0.752 391 L CB -0.393 41.692 42.059 0.044 0.000 0.899 391 L HN 0.133 nan 8.230 nan 0.000 0.433 392 D N -0.663 119.789 120.400 0.085 0.000 2.117 392 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 392 D C 1.841 178.180 176.300 0.065 0.000 0.987 392 D CA 1.462 55.505 54.000 0.071 0.000 0.829 392 D CB -0.133 40.689 40.800 0.036 0.000 0.961 392 D HN 0.430 nan 8.370 nan 0.000 0.460 393 D N -0.687 119.742 120.400 0.048 0.000 2.144 393 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 393 D C 1.887 178.191 176.300 0.007 0.000 0.978 393 D CA 0.585 54.599 54.000 0.023 0.000 0.833 393 D CB 0.265 41.075 40.800 0.016 0.000 0.961 393 D HN -0.005 nan 8.370 nan 0.000 0.470 394 V N -0.608 119.318 119.914 0.020 0.000 2.446 394 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 394 V C 1.429 177.405 176.094 -0.197 0.000 1.039 394 V CA 1.179 63.431 62.300 -0.079 0.000 1.045 394 V CB -0.455 31.322 31.823 -0.077 0.000 0.681 394 V HN 0.246 nan 8.190 nan 0.000 0.459 395 Y N 0.413 120.710 120.300 -0.004 0.000 2.497 395 Y HA 0.521 5.071 4.550 -0.000 0.000 0.265 395 Y C 1.353 177.247 175.900 -0.010 0.000 1.111 395 Y CA 0.459 58.556 58.100 -0.004 0.000 1.288 395 Y CB 0.235 38.698 38.460 0.004 0.000 1.082 395 Y HN 0.332 nan 8.280 nan 0.000 0.536 396 G N -0.372 108.493 108.800 0.108 0.000 2.719 396 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 396 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 396 G C 0.435 175.378 174.900 0.071 0.000 1.201 396 G CA -0.466 44.669 45.100 0.059 0.000 0.768 396 G HN -0.028 nan 8.290 nan 0.000 0.629 397 V N 2.191 122.129 119.914 0.040 0.000 2.282 397 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 397 V C 3.034 179.145 176.094 0.028 0.000 1.057 397 V CA 2.702 65.020 62.300 0.031 0.000 1.032 397 V CB -0.483 31.349 31.823 0.016 0.000 0.645 397 V HN 0.753 nan 8.190 nan 0.000 0.447 398 K N -0.142 120.274 120.400 0.027 0.000 2.001 398 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 398 K C 2.164 178.782 176.600 0.030 0.000 1.048 398 K CA 1.645 57.945 56.287 0.022 0.000 0.932 398 K CB -0.408 32.102 32.500 0.016 0.000 0.715 398 K HN 0.545 nan 8.250 nan 0.000 0.437 399 E N 0.277 120.509 120.200 0.054 0.000 2.072 399 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 399 E C 1.821 178.445 176.600 0.040 0.000 0.985 399 E CA 1.129 57.574 56.400 0.076 0.000 0.801 399 E CB -0.036 29.758 29.700 0.155 0.000 0.750 399 E HN 0.314 nan 8.360 nan 0.000 0.452 400 A N 0.626 123.480 122.820 0.057 0.000 1.933 400 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 400 A C 2.113 179.671 177.584 -0.044 0.000 1.175 400 A CA 1.672 53.696 52.037 -0.022 0.000 0.628 400 A CB -0.550 18.477 19.000 0.044 0.000 0.814 400 A HN 0.335 nan 8.150 nan 0.000 0.444 401 Q N -0.698 119.096 119.800 -0.010 0.000 2.050 401 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 401 Q C 1.974 177.973 176.000 -0.002 0.000 0.980 401 Q CA 2.090 57.888 55.803 -0.007 0.000 0.840 401 Q CB -0.297 28.442 28.738 0.002 0.000 0.898 401 Q HN 0.580 nan 8.270 nan 0.000 0.424 402 T N 1.480 116.033 114.554 -0.002 0.000 2.788 402 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 402 T C 1.713 176.418 174.700 0.008 0.000 1.044 402 T CA 1.075 63.178 62.100 0.005 0.000 1.139 402 T CB -0.193 68.677 68.868 0.004 0.000 0.867 402 T HN 0.163 nan 8.240 nan 0.000 0.454 403 L N 1.120 122.325 121.223 -0.030 0.000 1.988 403 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 403 L C 2.579 179.529 176.870 0.134 0.000 1.071 403 L CA 1.704 56.534 54.840 -0.017 0.000 0.744 403 L CB -0.434 41.484 42.059 -0.235 0.000 0.893 403 L HN 0.050 nan 8.230 nan 0.000 0.433 404 R N -0.763 119.749 120.500 0.019 0.000 2.117 404 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 404 R C 2.114 178.504 176.300 0.151 0.000 1.143 404 R CA 1.298 57.403 56.100 0.008 0.000 0.968 404 R CB -0.678 29.580 30.300 -0.070 0.000 0.863 404 R HN 0.508 nan 8.270 nan 0.000 0.444 405 A N 0.291 123.175 122.820 0.106 0.000 2.070 405 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 405 A C 2.010 179.673 177.584 0.132 0.000 1.159 405 A CA 1.352 53.448 52.037 0.098 0.000 0.656 405 A CB -0.157 18.873 19.000 0.051 0.000 0.800 405 A HN 0.195 nan 8.150 nan 0.000 0.453 406 S N -0.901 114.900 115.700 0.167 0.000 2.522 406 S HA 0.136 4.606 4.470 -0.000 0.000 0.227 406 S C -0.189 174.450 174.600 0.066 0.000 0.986 406 S CA 0.136 58.381 58.200 0.076 0.000 0.929 406 S CB -0.281 62.895 63.200 -0.040 0.000 0.769 406 S HN 0.452 nan 8.310 nan 0.000 0.529 407 F N 2.374 122.362 119.950 0.064 0.000 2.350 407 F HA 0.393 4.920 4.527 -0.000 0.000 0.365 407 F C 1.328 177.169 175.800 0.068 0.000 1.122 407 F CA -0.998 57.063 58.000 0.102 0.000 1.139 407 F CB 0.647 39.687 39.000 0.066 0.000 1.220 407 F HN -0.176 nan 8.300 nan 0.000 0.499 408 R N 0.506 121.112 120.500 0.177 0.000 2.148 408 R HA 0.024 4.364 4.340 -0.000 0.000 0.227 408 R C 0.269 176.651 176.300 0.138 0.000 1.103 408 R CA 0.393 56.564 56.100 0.118 0.000 0.983 408 R CB -0.385 29.945 30.300 0.050 0.000 0.874 408 R HN 0.363 nan 8.270 nan 0.000 0.451 409 S N 1.030 116.835 115.700 0.176 0.000 2.475 409 S HA 0.489 4.959 4.470 -0.000 0.000 0.298 409 S C -0.580 174.092 174.600 0.119 0.000 1.119 409 S CA -0.707 57.591 58.200 0.163 0.000 1.085 409 S CB 1.798 65.148 63.200 0.250 0.000 1.028 409 S HN 0.063 nan 8.310 nan 0.000 0.489 410 L N 3.615 124.857 121.223 0.032 0.000 2.381 410 L HA 0.803 5.143 4.340 -0.000 0.000 0.268 410 L C -1.536 175.307 176.870 -0.045 0.000 0.997 410 L CA -0.486 54.357 54.840 0.005 0.000 0.818 410 L CB 1.901 43.965 42.059 0.008 0.000 1.310 410 L HN 0.455 nan 8.230 nan 0.000 0.416 411 V N 4.952 124.853 119.914 -0.021 0.000 2.525 411 V HA 0.512 4.632 4.120 -0.000 0.000 0.299 411 V C -0.774 175.334 176.094 0.023 0.000 1.034 411 V CA -0.681 61.610 62.300 -0.015 0.000 0.863 411 V CB 1.965 33.778 31.823 -0.017 0.000 0.999 411 V HN 0.520 nan 8.190 nan 0.000 0.423 412 V N 6.455 126.409 119.914 0.067 0.000 2.347 412 V HA 0.366 4.486 4.120 -0.000 0.000 0.280 412 V C 0.599 176.765 176.094 0.120 0.000 1.021 412 V CA -0.169 62.183 62.300 0.087 0.000 0.847 412 V CB 1.569 33.446 31.823 0.091 0.000 0.990 412 V HN 0.770 nan 8.190 nan 0.000 0.444 413 L N 3.982 125.251 121.223 0.076 0.000 2.607 413 L HA 0.476 4.816 4.340 -0.000 0.000 0.228 413 L C 1.082 177.993 176.870 0.068 0.000 1.123 413 L CA 0.453 55.332 54.840 0.065 0.000 0.890 413 L CB -0.041 42.045 42.059 0.044 0.000 1.103 413 L HN 0.993 nan 8.230 nan 0.000 0.468 414 G N -0.095 108.754 108.800 0.082 0.000 3.019 414 G HA2 0.023 3.983 3.960 -0.000 0.000 0.686 414 G HA3 0.023 3.983 3.960 -0.000 0.000 0.686 414 G C -0.234 174.690 174.900 0.041 0.000 1.056 414 G CA -0.493 44.648 45.100 0.069 0.000 0.774 414 G HN 0.368 nan 8.290 nan 0.000 0.583 415 G N -0.150 108.668 108.800 0.031 0.000 2.788 415 G HA2 0.875 4.835 3.960 -0.000 0.000 0.293 415 G HA3 0.875 4.835 3.960 -0.000 0.000 0.293 415 G C 0.360 175.270 174.900 0.017 0.000 1.305 415 G CA 0.577 45.690 45.100 0.020 0.000 1.005 415 G HN 1.757 nan 8.290 nan 0.000 0.496 416 S N -1.532 114.176 115.700 0.013 0.000 2.573 416 S HA 0.075 4.545 4.470 -0.000 0.000 0.277 416 S C 1.799 176.404 174.600 0.008 0.000 1.346 416 S CA -0.099 58.107 58.200 0.011 0.000 1.034 416 S CB 0.446 63.651 63.200 0.009 0.000 0.879 416 S HN 0.614 nan 8.310 nan 0.000 0.528 417 R N 1.135 121.639 120.500 0.007 0.000 2.299 417 R HA 0.042 4.382 4.340 -0.000 0.000 0.197 417 R C 1.504 177.806 176.300 0.003 0.000 0.971 417 R CA 1.089 57.192 56.100 0.005 0.000 1.030 417 R CB -0.948 29.354 30.300 0.004 0.000 0.932 417 R HN 0.672 nan 8.270 nan 0.000 0.477 418 T N -2.597 111.959 114.554 0.004 0.000 3.129 418 T HA -0.016 4.334 4.350 -0.000 0.000 0.251 418 T C 0.263 174.965 174.700 0.003 0.000 1.117 418 T CA 0.155 62.257 62.100 0.003 0.000 1.034 418 T CB 0.147 69.018 68.868 0.004 0.000 0.968 418 T HN 0.067 nan 8.240 nan 0.000 0.526 419 D N 1.965 122.366 120.400 0.002 0.000 2.749 419 D HA 0.290 4.930 4.640 -0.000 0.000 0.338 419 D C -1.482 174.817 176.300 -0.002 0.000 1.236 419 D CA -2.426 51.575 54.000 0.001 0.000 0.845 419 D CB 1.252 42.054 40.800 0.003 0.000 1.080 419 D HN 0.067 nan 8.370 nan 0.000 0.497 420 P HA -0.173 nan 4.420 nan 0.000 0.219 420 P C 1.154 178.449 177.300 -0.008 0.000 1.146 420 P CA 0.803 63.900 63.100 -0.006 0.000 0.808 420 P CB 0.652 32.349 31.700 -0.005 0.000 0.779 421 K N -0.418 119.978 120.400 -0.007 0.000 2.025 421 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 421 K C 2.269 178.863 176.600 -0.011 0.000 1.049 421 K CA 1.815 58.097 56.287 -0.008 0.000 0.933 421 K CB -0.743 31.754 32.500 -0.006 0.000 0.714 421 K HN 0.116 nan 8.250 nan 0.000 0.438 422 T N 1.647 116.195 114.554 -0.009 0.000 2.777 422 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 422 T C 1.539 176.229 174.700 -0.016 0.000 1.040 422 T CA 1.137 63.230 62.100 -0.012 0.000 1.141 422 T CB -0.240 68.623 68.868 -0.008 0.000 0.868 422 T HN 0.192 nan 8.240 nan 0.000 0.444 423 N N 1.168 119.860 118.700 -0.014 0.000 2.149 423 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 423 N C 1.959 177.451 175.510 -0.030 0.000 1.019 423 N CA 1.206 54.245 53.050 -0.019 0.000 0.857 423 N CB -0.331 38.148 38.487 -0.014 0.000 0.997 423 N HN 0.485 nan 8.380 nan 0.000 0.426 424 E N 1.525 121.710 120.200 -0.025 0.000 2.072 424 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 424 E C 1.063 177.644 176.600 -0.031 0.000 0.985 424 E CA 1.350 57.733 56.400 -0.028 0.000 0.801 424 E CB -0.208 29.480 29.700 -0.021 0.000 0.750 424 E HN 0.151 nan 8.360 nan 0.000 0.452 425 D N -0.240 120.144 120.400 -0.027 0.000 2.104 425 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 425 D C 1.815 178.094 176.300 -0.034 0.000 0.994 425 D CA 1.258 55.242 54.000 -0.027 0.000 0.830 425 D CB -0.171 40.616 40.800 -0.023 0.000 0.959 425 D HN 0.282 nan 8.370 nan 0.000 0.452 426 M N 0.191 119.768 119.600 -0.039 0.000 2.254 426 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 426 M C 2.295 178.551 176.300 -0.074 0.000 1.066 426 M CA 0.684 55.955 55.300 -0.049 0.000 1.123 426 M CB -0.921 31.654 32.600 -0.042 0.000 1.388 426 M HN -0.057 nan 8.290 nan 0.000 0.425 427 S N 0.648 116.302 115.700 -0.077 0.000 2.368 427 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 427 S C 1.949 176.502 174.600 -0.079 0.000 1.029 427 S CA 0.680 58.821 58.200 -0.098 0.000 0.988 427 S CB -0.071 63.080 63.200 -0.082 0.000 0.838 427 S HN 0.466 nan 8.310 nan 0.000 0.462 428 L N 0.916 122.106 121.223 -0.055 0.000 2.093 428 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 428 L C 2.462 179.309 176.870 -0.037 0.000 1.085 428 L CA 1.430 56.244 54.840 -0.042 0.000 0.755 428 L CB -0.574 41.467 42.059 -0.031 0.000 0.904 428 L HN 0.370 nan 8.230 nan 0.000 0.435 429 S N 0.044 115.722 115.700 -0.037 0.000 2.368 429 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 429 S C 1.763 176.346 174.600 -0.027 0.000 1.030 429 S CA 0.952 59.136 58.200 -0.026 0.000 0.999 429 S CB -0.233 62.952 63.200 -0.025 0.000 0.844 429 S HN 0.211 nan 8.310 nan 0.000 0.459 430 L N 1.044 122.236 121.223 -0.052 0.000 2.131 430 L HA 0.121 4.461 4.340 -0.000 0.000 0.210 430 L C 1.480 178.328 176.870 -0.037 0.000 1.092 430 L CA 1.504 56.309 54.840 -0.058 0.000 0.759 430 L CB -1.833 40.146 42.059 -0.132 0.000 0.903 430 L HN 0.511 nan 8.230 nan 0.000 0.435 431 G N -0.787 107.987 108.800 -0.044 0.000 2.756 431 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.678 431 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.678 431 G C -0.355 174.510 174.900 -0.059 0.000 1.349 431 G CA -0.499 44.581 45.100 -0.033 0.000 0.847 431 G HN 0.206 nan 8.290 nan 0.000 0.548 432 E N -0.284 119.884 120.200 -0.052 0.000 2.259 432 E HA 0.679 5.029 4.350 -0.000 0.000 0.257 432 E C 0.174 176.754 176.600 -0.033 0.000 0.998 432 E CA -0.582 55.764 56.400 -0.091 0.000 0.866 432 E CB 1.613 31.276 29.700 -0.063 0.000 1.220 432 E HN 0.843 nan 8.360 nan 0.000 0.415 433 H N -1.554 117.435 119.070 -0.136 0.000 2.980 433 H HA 0.497 5.053 4.556 -0.000 0.000 0.367 433 H C -1.254 173.871 175.328 -0.338 0.000 1.206 433 H CA -0.991 54.911 56.048 -0.243 0.000 1.126 433 H CB 2.017 31.638 29.762 -0.235 0.000 1.838 433 H HN 0.398 nan 8.280 nan 0.000 0.552 434 E N 2.424 122.416 120.200 -0.346 0.000 2.145 434 E HA 0.434 4.784 4.350 -0.000 0.000 0.270 434 E C -1.424 174.792 176.600 -0.639 0.000 0.906 434 E CA -0.809 55.378 56.400 -0.355 0.000 0.761 434 E CB 2.057 31.592 29.700 -0.275 0.000 1.116 434 E HN 0.394 nan 8.360 nan 0.000 0.408 435 V N 3.483 123.066 119.914 -0.551 0.000 3.046 435 V HA 0.383 4.503 4.120 -0.000 0.000 0.316 435 V C -0.717 175.221 176.094 -0.260 0.000 1.104 435 V CA -0.715 61.218 62.300 -0.612 0.000 1.006 435 V CB 2.215 33.426 31.823 -1.021 0.000 1.058 435 V HN 0.714 nan 8.190 nan 0.000 0.440 436 E N 1.855 121.981 120.200 -0.122 0.000 2.191 436 E HA 0.508 4.858 4.350 -0.000 0.000 0.263 436 E C -0.590 176.054 176.600 0.075 0.000 0.881 436 E CA -0.470 55.919 56.400 -0.017 0.000 0.757 436 E CB 1.618 31.316 29.700 -0.003 0.000 1.147 436 E HN 0.504 nan 8.360 nan 0.000 0.414 437 R N 1.566 122.107 120.500 0.068 0.000 2.917 437 R HA 0.171 4.511 4.340 -0.000 0.000 0.220 437 R C 0.163 176.506 176.300 0.071 0.000 1.485 437 R CA -0.659 55.504 56.100 0.105 0.000 1.037 437 R CB 0.319 30.686 30.300 0.113 0.000 1.929 437 R HN 0.725 nan 8.270 nan 0.000 0.526 455 E N 0.564 120.771 120.200 0.013 0.000 2.260 455 E HA 0.652 5.002 4.350 -0.000 0.000 0.266 455 E C -1.395 175.201 176.600 -0.007 0.000 0.887 455 E CA -1.050 55.354 56.400 0.006 0.000 0.777 455 E CB 2.201 31.912 29.700 0.017 0.000 1.205 455 E HN 0.304 nan 8.360 nan 0.000 0.414 456 R N 1.654 122.140 120.500 -0.022 0.000 2.265 456 R HA 0.498 4.838 4.340 -0.000 0.000 0.314 456 R C -0.888 175.385 176.300 -0.045 0.000 1.053 456 R CA -0.485 55.586 56.100 -0.049 0.000 0.931 456 R CB 1.587 31.854 30.300 -0.054 0.000 1.024 456 R HN 0.446 nan 8.270 nan 0.000 0.457 457 V N 3.867 123.742 119.914 -0.064 0.000 2.709 457 V HA 0.481 4.601 4.120 -0.000 0.000 0.308 457 V C -0.125 175.942 176.094 -0.045 0.000 1.062 457 V CA -0.895 61.384 62.300 -0.035 0.000 0.901 457 V CB 2.207 34.032 31.823 0.004 0.000 1.003 457 V HN 0.614 nan 8.190 nan 0.000 0.425 458 R N 3.744 124.232 120.500 -0.020 0.000 2.338 458 R HA 0.661 5.001 4.340 -0.000 0.000 0.317 458 R C -0.698 175.610 176.300 0.012 0.000 0.968 458 R CA -0.370 55.724 56.100 -0.011 0.000 0.849 458 R CB 1.681 31.964 30.300 -0.029 0.000 1.128 458 R HN 0.967 nan 8.270 nan 0.000 0.448 459 E N 2.531 122.741 120.200 0.017 0.000 2.407 459 E HA 0.382 4.732 4.350 -0.000 0.000 0.279 459 E C -0.956 175.554 176.600 -0.150 0.000 1.012 459 E CA -1.232 55.153 56.400 -0.026 0.000 0.800 459 E CB 1.229 30.964 29.700 0.060 0.000 1.276 459 E HN 0.108 nan 8.360 nan 0.000 0.452 460 R N 0.912 121.355 120.500 -0.095 0.000 2.590 460 R HA 0.122 4.461 4.340 -0.000 0.000 0.274 460 R C 0.889 177.110 176.300 -0.132 0.000 1.061 460 R CA -0.154 55.876 56.100 -0.117 0.000 1.081 460 R CB 0.798 31.057 30.300 -0.069 0.000 0.984 460 R HN 0.524 nan 8.270 nan 0.000 0.448 461 V N 2.206 122.018 119.914 -0.170 0.000 2.379 461 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 461 V C 0.900 177.065 176.094 0.118 0.000 1.044 461 V CA 1.364 63.651 62.300 -0.022 0.000 1.036 461 V CB 0.104 31.903 31.823 -0.039 0.000 0.664 461 V HN 0.385 nan 8.190 nan 0.000 0.453 462 V N 0.941 120.811 119.914 -0.075 0.000 2.444 462 V HA 0.376 4.496 4.120 -0.000 0.000 0.294 462 V C -0.117 175.892 176.094 -0.142 0.000 1.022 462 V CA -0.397 61.792 62.300 -0.185 0.000 0.850 462 V CB 1.604 33.109 31.823 -0.530 0.000 0.992 462 V HN 0.262 nan 8.190 nan 0.000 0.426 463 M N 5.554 125.095 119.600 -0.099 0.000 2.228 463 M HA 0.247 4.727 4.480 -0.000 0.000 0.326 463 M C -1.431 174.826 176.300 -0.071 0.000 1.122 463 M CA -1.283 53.975 55.300 -0.070 0.000 1.161 463 M CB 1.281 33.850 32.600 -0.051 0.000 1.437 463 M HN 0.338 nan 8.290 nan 0.000 0.465 464 P HA -0.105 nan 4.420 nan 0.000 0.217 464 P C 0.698 177.983 177.300 -0.026 0.000 1.150 464 P CA 1.432 64.508 63.100 -0.041 0.000 0.832 464 P CB 0.019 31.701 31.700 -0.030 0.000 0.787 465 A N 0.141 122.948 122.820 -0.022 0.000 1.902 465 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 465 A C 2.092 179.676 177.584 0.000 0.000 1.181 465 A CA 1.550 53.581 52.037 -0.010 0.000 0.623 465 A CB -1.152 17.841 19.000 -0.012 0.000 0.818 465 A HN 0.189 nan 8.150 nan 0.000 0.443 466 E N -0.348 119.849 120.200 -0.004 0.000 2.153 466 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 466 E C 1.770 178.414 176.600 0.073 0.000 0.988 466 E CA 1.154 57.574 56.400 0.033 0.000 0.811 466 E CB -0.268 29.450 29.700 0.030 0.000 0.746 466 E HN 0.720 nan 8.360 nan 0.000 0.466 467 I N 0.821 121.409 120.570 0.032 0.000 2.500 467 I HA -0.137 4.033 4.170 -0.000 0.000 0.252 467 I C 2.431 178.576 176.117 0.048 0.000 1.142 467 I CA 0.507 61.841 61.300 0.057 0.000 1.451 467 I CB -0.133 37.865 38.000 -0.003 0.000 1.093 467 I HN 0.039 nan 8.210 nan 0.000 0.430 468 A N 0.527 123.362 122.820 0.025 0.000 2.014 468 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 468 A C 1.797 179.395 177.584 0.024 0.000 1.163 468 A CA 1.196 53.245 52.037 0.019 0.000 0.652 468 A CB -0.349 18.657 19.000 0.008 0.000 0.808 468 A HN 0.400 nan 8.150 nan 0.000 0.449 469 N N -0.277 118.440 118.700 0.029 0.000 2.230 469 N HA 0.205 4.945 4.740 -0.000 0.000 0.202 469 N C -0.227 175.303 175.510 0.035 0.000 1.119 469 N CA -0.046 53.020 53.050 0.026 0.000 0.851 469 N CB 0.340 38.839 38.487 0.020 0.000 0.990 469 N HN 0.387 nan 8.380 nan 0.000 0.497 470 L N 2.666 123.921 121.223 0.052 0.000 2.461 470 L HA 0.164 4.504 4.340 -0.000 0.000 0.272 470 L C -1.632 175.254 176.870 0.027 0.000 1.197 470 L CA -1.009 53.862 54.840 0.051 0.000 0.836 470 L CB 0.318 42.427 42.059 0.082 0.000 1.105 470 L HN -0.060 nan 8.230 nan 0.000 0.477 471 P HA 0.198 nan 4.420 nan 0.000 0.281 471 P C -1.113 176.190 177.300 0.005 0.000 1.264 471 P CA -0.740 62.363 63.100 0.006 0.000 0.824 471 P CB 0.851 32.549 31.700 -0.002 0.000 1.092 472 D N 0.253 120.657 120.400 0.006 0.000 2.364 472 D HA 0.031 4.671 4.640 -0.000 0.000 0.236 472 D C 1.066 177.368 176.300 0.003 0.000 1.221 472 D CA 0.244 54.249 54.000 0.008 0.000 0.891 472 D CB -0.022 40.783 40.800 0.009 0.000 1.190 472 D HN 0.397 nan 8.370 nan 0.000 0.449 473 L N -0.756 120.472 121.223 0.008 0.000 3.858 473 L HA -0.262 4.078 4.340 -0.000 0.000 0.425 473 L C -0.121 176.743 176.870 -0.010 0.000 1.177 473 L CA 0.617 55.461 54.840 0.006 0.000 0.943 473 L CB -2.175 39.889 42.059 0.007 0.000 1.861 473 L HN 0.253 nan 8.230 nan 0.000 0.985 474 T N -0.376 114.166 114.554 -0.020 0.000 2.879 474 T HA 0.807 5.157 4.350 -0.000 0.000 0.290 474 T C -0.035 174.626 174.700 -0.066 0.000 0.993 474 T CA 0.077 62.142 62.100 -0.059 0.000 0.975 474 T CB 2.115 70.941 68.868 -0.071 0.000 0.981 474 T HN 0.387 nan 8.240 nan 0.000 0.439 475 A N 2.585 125.339 122.820 -0.110 0.000 2.539 475 A HA 0.803 5.122 4.320 -0.000 0.000 0.296 475 A C -1.952 175.527 177.584 -0.175 0.000 1.073 475 A CA -0.775 51.215 52.037 -0.077 0.000 0.700 475 A CB 1.186 20.177 19.000 -0.014 0.000 1.296 475 A HN 0.788 nan 8.150 nan 0.000 0.405 476 Y N 0.644 120.934 120.300 -0.016 0.000 2.335 476 Y HA 0.466 5.016 4.550 -0.000 0.000 0.339 476 Y C 0.069 175.931 175.900 -0.064 0.000 0.987 476 Y CA -0.168 57.919 58.100 -0.021 0.000 1.140 476 Y CB 1.860 40.315 38.460 -0.009 0.000 1.173 476 Y HN 0.356 nan 8.280 nan 0.000 0.486 477 V N 3.476 123.402 119.914 0.020 0.000 2.347 477 V HA 0.560 4.680 4.120 -0.000 0.000 0.280 477 V C 0.282 176.268 176.094 -0.180 0.000 1.021 477 V CA -0.665 61.540 62.300 -0.159 0.000 0.847 477 V CB 1.265 32.927 31.823 -0.268 0.000 0.990 477 V HN 0.936 nan 8.190 nan 0.000 0.444 478 G N 4.506 113.186 108.800 -0.200 0.000 3.039 478 G HA2 0.563 4.523 3.960 -0.000 0.000 0.329 478 G HA3 0.563 4.523 3.960 -0.000 0.000 0.329 478 G C -0.660 174.178 174.900 -0.104 0.000 1.361 478 G CA -0.297 44.747 45.100 -0.094 0.000 1.088 478 G HN 0.360 nan 8.290 nan 0.000 0.501 479 F N 1.765 121.758 119.950 0.071 0.000 2.490 479 F HA 0.462 4.989 4.527 0.000 0.000 0.336 479 F C 1.352 177.182 175.800 0.050 0.000 1.178 479 F CA 0.009 58.047 58.000 0.062 0.000 1.301 479 F CB 0.914 39.946 39.000 0.054 0.000 1.175 479 F HN 0.562 nan 8.300 nan 0.000 0.593 480 A N 1.705 124.695 122.820 0.283 0.000 2.547 480 A HA 0.435 4.755 4.320 -0.000 0.000 0.233 480 A C 0.897 178.552 177.584 0.118 0.000 1.067 480 A CA 0.399 52.527 52.037 0.151 0.000 0.763 480 A CB -0.964 18.099 19.000 0.105 0.000 1.007 480 A HN 1.677 nan 8.150 nan 0.000 0.506 481 G N 0.854 109.701 108.800 0.078 0.000 2.642 481 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 481 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 481 G C 0.109 175.049 174.900 0.066 0.000 1.338 481 G CA 0.326 45.461 45.100 0.059 0.000 0.883 481 G HN 1.767 nan 8.290 nan 0.000 0.570 482 N N 1.641 120.372 118.700 0.052 0.000 2.971 482 N HA 0.296 5.036 4.740 -0.000 0.000 0.294 482 N C 0.324 175.867 175.510 0.056 0.000 1.210 482 N CA 0.213 53.294 53.050 0.051 0.000 1.157 482 N CB -0.214 38.295 38.487 0.037 0.000 1.450 482 N HN 0.583 nan 8.380 nan 0.000 0.527 483 R N 1.568 122.116 120.500 0.079 0.000 2.744 483 R HA 0.543 4.883 4.340 -0.000 0.000 0.279 483 R C -2.530 173.823 176.300 0.088 0.000 0.977 483 R CA -1.613 54.542 56.100 0.093 0.000 0.906 483 R CB 1.148 31.544 30.300 0.159 0.000 1.197 483 R HN 0.318 nan 8.270 nan 0.000 0.463 484 P HA 0.349 nan 4.420 nan 0.000 0.277 484 P C -0.125 177.235 177.300 0.100 0.000 1.271 484 P CA -0.507 62.631 63.100 0.063 0.000 0.795 484 P CB 0.761 32.477 31.700 0.027 0.000 1.101 485 I N -2.994 117.640 120.570 0.106 0.000 2.822 485 I HA 0.864 5.034 4.170 -0.000 0.000 0.312 485 I C -0.766 175.438 176.117 0.145 0.000 1.011 485 I CA -1.297 60.075 61.300 0.119 0.000 1.105 485 I CB 1.923 40.001 38.000 0.130 0.000 1.291 485 I HN 0.387 nan 8.210 nan 0.000 0.474 486 A N 3.109 126.013 122.820 0.140 0.000 2.574 486 A HA 0.519 4.839 4.320 -0.000 0.000 0.297 486 A C -1.183 176.415 177.584 0.023 0.000 1.062 486 A CA -0.842 51.260 52.037 0.108 0.000 0.686 486 A CB 1.658 20.703 19.000 0.075 0.000 1.285 486 A HN 0.794 nan 8.150 nan 0.000 0.403 487 K N 1.897 122.245 120.400 -0.088 0.000 2.262 487 K HA 0.591 4.911 4.320 -0.000 0.000 0.282 487 K C -1.248 175.234 176.600 -0.195 0.000 1.066 487 K CA -0.153 55.898 56.287 -0.394 0.000 0.901 487 K CB 0.699 32.886 32.500 -0.522 0.000 1.089 487 K HN 0.473 nan 8.250 nan 0.000 0.476 488 V N 6.243 126.053 119.914 -0.173 0.000 2.823 488 V HA 0.509 4.629 4.120 -0.000 0.000 0.312 488 V C -2.324 173.724 176.094 -0.076 0.000 1.072 488 V CA -1.872 60.379 62.300 -0.082 0.000 0.937 488 V CB 1.894 33.701 31.823 -0.028 0.000 1.013 488 V HN 0.843 nan 8.190 nan 0.000 0.430 489 P HA 0.428 nan 4.420 nan 0.000 0.294 489 P C -1.160 176.137 177.300 -0.005 0.000 1.294 489 P CA -0.451 62.632 63.100 -0.030 0.000 0.827 489 P CB 1.715 33.401 31.700 -0.023 0.000 0.992 490 L N 3.121 124.345 121.223 0.001 0.000 2.292 490 L HA 0.281 4.621 4.340 -0.000 0.000 0.284 490 L C 1.134 178.017 176.870 0.022 0.000 1.065 490 L CA -0.404 54.449 54.840 0.022 0.000 0.806 490 L CB 0.748 42.823 42.059 0.028 0.000 1.175 490 L HN 0.486 nan 8.230 nan 0.000 0.431 491 E N 4.793 125.012 120.200 0.030 0.000 2.156 491 E HA 0.345 4.694 4.350 -0.000 0.000 0.279 491 E C -0.741 175.873 176.600 0.023 0.000 0.965 491 E CA -0.709 55.702 56.400 0.018 0.000 0.789 491 E CB 1.490 31.197 29.700 0.011 0.000 1.098 491 E HN 0.501 nan 8.360 nan 0.000 0.397 492 I N 3.969 124.544 120.570 0.008 0.000 2.349 492 I HA 0.062 4.232 4.170 -0.000 0.000 0.302 492 I C 0.526 176.615 176.117 -0.046 0.000 1.180 492 I CA -0.205 61.101 61.300 0.010 0.000 1.405 492 I CB -0.264 37.738 38.000 0.004 0.000 1.474 492 I HN 0.521 nan 8.210 nan 0.000 0.632 493 K N 4.948 125.303 120.400 -0.075 0.000 2.237 493 K HA 0.168 4.488 4.320 -0.000 0.000 0.270 493 K C -0.142 176.182 176.600 -0.459 0.000 1.015 493 K CA -0.473 55.633 56.287 -0.302 0.000 0.949 493 K CB 0.798 33.042 32.500 -0.426 0.000 0.976 493 K HN 0.357 nan 8.250 nan 0.000 0.472 494 Q N 2.926 122.413 119.800 -0.523 0.000 2.241 494 Q HA 0.303 4.643 4.340 -0.000 0.000 0.254 494 Q C -1.141 174.451 176.000 -0.680 0.000 0.917 494 Q CA -0.167 55.387 55.803 -0.414 0.000 0.919 494 Q CB 1.079 29.682 28.738 -0.225 0.000 1.237 494 Q HN 0.447 nan 8.270 nan 0.000 0.434 495 F N 0.324 120.160 119.950 -0.190 0.000 2.507 495 F HA 0.553 5.080 4.527 -0.000 0.000 0.325 495 F C 0.383 176.056 175.800 -0.212 0.000 1.116 495 F CA -1.114 56.736 58.000 -0.250 0.000 0.930 495 F CB 1.467 40.228 39.000 -0.398 0.000 1.146 495 F HN 0.478 nan 8.300 nan 0.000 0.447 496 A N 2.562 125.368 122.820 -0.022 0.000 2.388 496 A HA 0.270 4.590 4.320 -0.000 0.000 0.257 496 A C 0.035 177.576 177.584 -0.070 0.000 1.095 496 A CA -0.608 51.401 52.037 -0.047 0.000 0.791 496 A CB 0.033 19.009 19.000 -0.040 0.000 1.029 496 A HN 0.886 nan 8.150 nan 0.000 0.489 497 N N 1.264 119.919 118.700 -0.075 0.000 2.402 497 N HA 0.120 4.860 4.740 -0.000 0.000 0.259 497 N C 0.442 175.903 175.510 -0.081 0.000 1.167 497 N CA -0.148 52.845 53.050 -0.095 0.000 0.949 497 N CB 0.473 38.911 38.487 -0.082 0.000 1.212 497 N HN 0.641 nan 8.380 nan 0.000 0.493 498 R N 1.893 122.338 120.500 -0.092 0.000 2.752 498 R HA 0.210 4.550 4.340 -0.000 0.000 0.279 498 R C -0.378 175.875 176.300 -0.078 0.000 1.212 498 R CA -0.147 55.914 56.100 -0.064 0.000 1.169 498 R CB 0.024 30.302 30.300 -0.037 0.000 1.286 498 R HN 0.526 nan 8.270 nan 0.000 0.564 499 Q N 0.365 120.110 119.800 -0.092 0.000 2.938 499 Q HA 0.112 4.452 4.340 -0.000 0.000 0.230 499 Q C -3.018 172.923 176.000 -0.098 0.000 1.008 499 Q CA -1.371 54.373 55.803 -0.098 0.000 0.925 499 Q CB 2.060 30.720 28.738 -0.130 0.000 2.116 499 Q HN 0.131 nan 8.270 nan 0.000 0.515 500 P HA 0.083 nan 4.420 nan 0.000 0.276 500 P C -0.139 177.130 177.300 -0.052 0.000 1.235 500 P CA 0.305 63.369 63.100 -0.060 0.000 0.772 500 P CB 1.254 32.920 31.700 -0.056 0.000 0.871 501 A N 4.289 127.090 122.820 -0.032 0.000 1.917 501 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 501 A C 0.734 178.382 177.584 0.106 0.000 1.182 501 A CA 1.470 53.499 52.037 -0.012 0.000 0.633 501 A CB -0.734 18.253 19.000 -0.021 0.000 0.819 501 A HN 0.592 nan 8.150 nan 0.000 0.448 502 F N -2.275 117.635 119.950 -0.066 0.000 2.599 502 F HA 0.579 5.106 4.527 -0.000 0.000 0.311 502 F C -1.180 174.604 175.800 -0.027 0.000 1.076 502 F CA -1.737 56.241 58.000 -0.037 0.000 0.937 502 F CB 2.124 41.109 39.000 -0.025 0.000 1.282 502 F HN -0.216 nan 8.300 nan 0.000 0.460 503 V N 3.838 123.325 119.914 -0.712 0.000 2.516 503 V HA 0.200 4.320 4.120 -0.000 0.000 0.271 503 V C -0.636 174.936 176.094 -0.870 0.000 0.992 503 V CA -0.770 61.177 62.300 -0.589 0.000 0.857 503 V CB 0.894 32.548 31.823 -0.281 0.000 1.047 503 V HN 0.730 nan 8.190 nan 0.000 0.455 504 E N 2.711 122.347 120.200 -0.941 0.000 2.708 504 E HA 0.224 4.574 4.350 -0.000 0.000 0.260 504 E C 0.846 177.287 176.600 -0.265 0.000 0.937 504 E CA 1.140 57.191 56.400 -0.582 0.000 0.953 504 E CB 0.796 30.371 29.700 -0.209 0.000 0.915 504 E HN 0.769 nan 8.360 nan 0.000 0.487 505 G N 0.000 108.730 108.800 -0.117 0.000 5.446 505 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 505 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 505 G CA 0.000 45.071 45.100 -0.048 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925