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 1gki_1_F 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 XXXXXXXXER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVE 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 0.000 174.964 174.900 0.106 0.000 0.946 77 G CA 0.000 45.142 45.100 0.069 0.000 0.502 78 E N 0.706 120.991 120.200 0.142 0.000 2.358 78 E HA 0.083 4.433 4.350 -0.000 0.000 0.195 78 E C 0.413 177.161 176.600 0.247 0.000 1.010 78 E CA -0.081 56.411 56.400 0.153 0.000 0.856 78 E CB 0.094 29.877 29.700 0.138 0.000 0.795 78 E HN 0.307 nan 8.360 nan 0.000 0.504 79 F N 2.668 122.714 119.950 0.160 0.000 2.467 79 F HA 0.452 4.978 4.527 -0.000 0.000 0.362 79 F C 1.443 177.343 175.800 0.167 0.000 1.090 79 F CA -0.671 57.458 58.000 0.216 0.000 1.202 79 F CB 1.351 40.579 39.000 0.380 0.000 1.113 79 F HN -0.101 nan 8.300 nan 0.000 0.541 80 G N 4.561 113.143 108.800 -0.364 0.000 2.448 80 G HA2 0.029 3.989 3.960 -0.000 0.000 0.219 80 G HA3 0.029 3.989 3.960 -0.000 0.000 0.219 80 G C 0.876 175.373 174.900 -0.672 0.000 1.127 80 G CA 0.475 45.332 45.100 -0.405 0.000 0.766 80 G HN 0.989 nan 8.290 nan 0.000 0.552 81 G N -0.251 107.604 108.800 -1.575 0.000 2.508 81 G HA2 0.508 4.468 3.960 -0.000 0.000 0.278 81 G HA3 0.508 4.468 3.960 -0.000 0.000 0.278 81 G C 0.281 174.969 174.900 -0.353 0.000 1.389 81 G CA 0.047 44.605 45.100 -0.904 0.000 1.050 81 G HN 0.568 nan 8.290 nan 0.000 0.522 82 A N 0.230 123.088 122.820 0.062 0.000 2.477 82 A HA 0.528 4.848 4.320 -0.000 0.000 0.246 82 A C -1.958 175.870 177.584 0.407 0.000 1.078 82 A CA -0.679 51.471 52.037 0.188 0.000 0.770 82 A CB -0.254 18.854 19.000 0.180 0.000 1.011 82 A HN 0.413 nan 8.150 nan 0.000 0.494 83 P HA 0.317 nan 4.420 nan 0.000 0.268 83 P C -0.673 176.806 177.300 0.299 0.000 1.208 83 P CA 0.393 63.637 63.100 0.240 0.000 0.777 83 P CB 0.213 31.957 31.700 0.073 0.000 0.875 84 F N -0.631 119.408 119.950 0.148 0.000 2.620 84 F HA 0.616 5.143 4.527 -0.000 0.000 0.320 84 F C 1.201 177.030 175.800 0.049 0.000 1.069 84 F CA -1.217 56.829 58.000 0.076 0.000 0.953 84 F CB 1.175 40.187 39.000 0.020 0.000 1.322 84 F HN 0.141 nan 8.300 nan 0.000 0.479 85 K N 0.407 120.934 120.400 0.211 0.000 2.021 85 K HA 0.125 4.445 4.320 -0.000 0.000 0.205 85 K C 0.164 176.859 176.600 0.159 0.000 1.047 85 K CA 0.826 57.179 56.287 0.110 0.000 0.943 85 K CB 0.203 32.758 32.500 0.090 0.000 0.725 85 K HN 0.755 nan 8.250 nan 0.000 0.439 86 R N 0.068 120.735 120.500 0.278 0.000 2.673 86 R HA 0.153 4.493 4.340 -0.000 0.000 0.281 86 R C -1.813 174.666 176.300 0.297 0.000 0.991 86 R CA -0.619 55.638 56.100 0.260 0.000 0.896 86 R CB 1.158 31.530 30.300 0.120 0.000 1.201 86 R HN 0.027 nan 8.270 nan 0.000 0.457 87 F N 4.848 124.894 119.950 0.160 0.000 2.404 87 F HA 0.294 4.821 4.527 0.000 0.000 0.345 87 F C 0.067 175.816 175.800 -0.085 0.000 1.110 87 F CA -0.327 57.647 58.000 -0.043 0.000 1.130 87 F CB 0.866 39.907 39.000 0.069 0.000 1.129 87 F HN 0.536 nan 8.300 nan 0.000 0.500 88 L N 4.026 124.788 121.223 -0.767 0.000 2.379 88 L HA 0.345 4.685 4.340 -0.000 0.000 0.190 88 L C -0.037 176.540 176.870 -0.490 0.000 1.111 88 L CA 0.025 54.589 54.840 -0.460 0.000 0.820 88 L CB -0.049 41.788 42.059 -0.369 0.000 1.046 88 L HN 0.624 nan 8.230 nan 0.000 0.485 89 R N -1.697 118.296 120.500 -0.843 0.000 2.741 89 R HA 0.702 5.042 4.340 -0.000 0.000 0.274 89 R C -0.515 175.578 176.300 -0.345 0.000 1.029 89 R CA -0.327 55.554 56.100 -0.365 0.000 0.880 89 R CB 0.453 30.665 30.300 -0.147 0.000 1.264 89 R HN 0.160 nan 8.270 nan 0.000 0.465 90 G N -0.211 108.614 108.800 0.042 0.000 2.548 90 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.208 90 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.208 90 G C -0.947 174.121 174.900 0.280 0.000 1.308 90 G CA -0.475 44.686 45.100 0.103 0.000 0.924 90 G HN 0.702 nan 8.290 nan 0.000 0.540 91 T N 2.228 116.902 114.554 0.199 0.000 2.870 91 T HA 0.501 4.850 4.350 -0.000 0.000 0.300 91 T C 0.757 175.636 174.700 0.299 0.000 0.989 91 T CA 0.466 62.677 62.100 0.185 0.000 1.139 91 T CB 0.187 69.103 68.868 0.081 0.000 0.920 91 T HN 0.706 nan 8.240 nan 0.000 0.537 92 R N 3.144 123.754 120.500 0.182 0.000 2.514 92 R HA 0.676 5.016 4.340 -0.000 0.000 0.301 92 R C -0.819 175.535 176.300 0.090 0.000 0.962 92 R CA -0.862 55.288 56.100 0.083 0.000 0.882 92 R CB 1.522 31.632 30.300 -0.316 0.000 1.143 92 R HN 0.564 nan 8.270 nan 0.000 0.452 93 I N 2.678 123.340 120.570 0.152 0.000 2.460 93 I HA 0.447 4.617 4.170 -0.000 0.000 0.298 93 I C -0.980 175.225 176.117 0.147 0.000 0.989 93 I CA -1.080 60.327 61.300 0.178 0.000 1.173 93 I CB 1.820 39.984 38.000 0.274 0.000 1.338 93 I HN 0.430 nan 8.210 nan 0.000 0.456 94 V N 5.282 125.268 119.914 0.121 0.000 3.141 94 V HA 0.449 4.569 4.120 -0.000 0.000 0.312 94 V C -0.246 175.900 176.094 0.086 0.000 1.157 94 V CA -0.506 61.847 62.300 0.088 0.000 1.041 94 V CB 2.696 34.552 31.823 0.056 0.000 1.071 94 V HN 0.884 nan 8.190 nan 0.000 0.441 95 S N 1.436 117.174 115.700 0.064 0.000 2.585 95 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 95 S C 1.375 175.999 174.600 0.041 0.000 1.339 95 S CA 0.209 58.438 58.200 0.049 0.000 1.028 95 S CB 1.219 64.441 63.200 0.037 0.000 0.906 95 S HN 1.295 nan 8.310 nan 0.000 0.528 96 G N 1.962 110.777 108.800 0.025 0.000 2.529 96 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 96 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 96 G C 1.395 176.316 174.900 0.036 0.000 1.177 96 G CA 0.801 45.915 45.100 0.023 0.000 0.773 96 G HN 1.079 nan 8.290 nan 0.000 0.573 97 G N 0.440 109.258 108.800 0.029 0.000 2.422 97 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 97 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 97 G C 1.719 176.640 174.900 0.036 0.000 1.146 97 G CA 1.408 46.526 45.100 0.031 0.000 0.769 97 G HN 0.582 nan 8.290 nan 0.000 0.547 98 K N -0.336 120.085 120.400 0.035 0.000 2.097 98 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 98 K C 2.311 178.940 176.600 0.048 0.000 1.049 98 K CA 1.009 57.317 56.287 0.035 0.000 0.933 98 K CB -0.280 32.239 32.500 0.031 0.000 0.717 98 K HN 0.243 nan 8.250 nan 0.000 0.442 99 L N 1.467 122.728 121.223 0.064 0.000 2.056 99 L HA -0.082 4.257 4.340 -0.000 0.000 0.207 99 L C 1.700 178.631 176.870 0.102 0.000 1.078 99 L CA 1.766 56.662 54.840 0.093 0.000 0.749 99 L CB -0.342 41.785 42.059 0.113 0.000 0.901 99 L HN 0.074 nan 8.230 nan 0.000 0.433 100 K N -0.784 119.669 120.400 0.088 0.000 2.113 100 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 100 K C 2.227 178.861 176.600 0.057 0.000 1.047 100 K CA 1.724 58.060 56.287 0.082 0.000 0.928 100 K CB -0.167 32.371 32.500 0.064 0.000 0.716 100 K HN 0.336 nan 8.250 nan 0.000 0.446 101 R N 0.313 120.840 120.500 0.045 0.000 2.062 101 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 101 R C 2.438 178.755 176.300 0.028 0.000 1.136 101 R CA 1.600 57.719 56.100 0.031 0.000 0.948 101 R CB -0.218 30.096 30.300 0.025 0.000 0.845 101 R HN 0.169 nan 8.270 nan 0.000 0.430 102 M N 0.129 119.751 119.600 0.036 0.000 2.082 102 M HA -0.164 4.316 4.480 -0.000 0.000 0.258 102 M C 2.285 178.599 176.300 0.024 0.000 1.069 102 M CA 2.299 57.618 55.300 0.032 0.000 1.102 102 M CB -0.630 31.997 32.600 0.044 0.000 1.336 102 M HN 0.288 nan 8.290 nan 0.000 0.404 103 T N -2.185 112.391 114.554 0.036 0.000 3.088 103 T HA 0.044 4.394 4.350 -0.000 0.000 0.259 103 T C 0.876 175.558 174.700 -0.030 0.000 1.122 103 T CA -0.178 61.916 62.100 -0.010 0.000 1.095 103 T CB -0.224 68.639 68.868 -0.009 0.000 0.930 103 T HN 0.277 nan 8.240 nan 0.000 0.508 104 R N 1.438 121.938 120.500 -0.000 0.000 2.570 104 R HA 0.212 4.552 4.340 -0.000 0.000 0.277 104 R C -0.480 175.811 176.300 -0.015 0.000 1.039 104 R CA 0.403 56.501 56.100 -0.003 0.000 1.065 104 R CB 0.291 30.596 30.300 0.009 0.000 0.964 104 R HN 0.474 nan 8.270 nan 0.000 0.428 105 E N 2.073 122.262 120.200 -0.018 0.000 2.369 105 E HA 0.141 4.491 4.350 -0.000 0.000 0.270 105 E C 0.052 176.644 176.600 -0.014 0.000 0.909 105 E CA -0.965 55.423 56.400 -0.021 0.000 0.775 105 E CB 1.765 31.445 29.700 -0.033 0.000 1.270 105 E HN 0.551 nan 8.360 nan 0.000 0.445 106 K N 0.179 120.572 120.400 -0.013 0.000 2.002 106 K HA -0.014 4.306 4.320 -0.000 0.000 0.209 106 K C 0.988 177.583 176.600 -0.009 0.000 1.048 106 K CA 0.841 57.122 56.287 -0.009 0.000 0.930 106 K CB -0.611 31.883 32.500 -0.010 0.000 0.714 106 K HN 0.405 nan 8.250 nan 0.000 0.438 107 A N 2.189 125.002 122.820 -0.012 0.000 2.366 107 A HA 0.127 4.447 4.320 -0.000 0.000 0.250 107 A C -0.102 177.479 177.584 -0.006 0.000 1.099 107 A CA -0.274 51.757 52.037 -0.009 0.000 0.794 107 A CB 0.088 19.081 19.000 -0.012 0.000 1.056 107 A HN 0.239 nan 8.150 nan 0.000 0.499 108 K N 0.670 121.068 120.400 -0.002 0.000 2.350 108 K HA 0.223 4.543 4.320 -0.000 0.000 0.279 108 K C -0.180 176.425 176.600 0.009 0.000 1.027 108 K CA 0.420 56.707 56.287 -0.000 0.000 0.969 108 K CB 0.419 32.918 32.500 -0.002 0.000 0.954 108 K HN 0.716 nan 8.250 nan 0.000 0.474 109 Q N 0.627 120.432 119.800 0.008 0.000 2.496 109 Q HA 0.460 4.800 4.340 -0.000 0.000 0.286 109 Q C -0.630 175.384 176.000 0.025 0.000 1.103 109 Q CA -1.111 54.704 55.803 0.021 0.000 0.813 109 Q CB 2.106 30.845 28.738 0.002 0.000 1.444 109 Q HN 0.441 nan 8.270 nan 0.000 0.443 110 V N -2.106 117.839 119.914 0.053 0.000 2.966 110 V HA 0.816 4.936 4.120 -0.000 0.000 0.317 110 V C -0.158 175.972 176.094 0.060 0.000 1.070 110 V CA -0.702 61.614 62.300 0.027 0.000 1.008 110 V CB 1.452 33.285 31.823 0.016 0.000 1.070 110 V HN 0.930 nan 8.190 nan 0.000 0.457 111 T N -0.816 113.777 114.554 0.064 0.000 2.887 111 T HA 0.758 5.108 4.350 -0.000 0.000 0.288 111 T C -0.742 174.051 174.700 0.154 0.000 1.021 111 T CA -0.687 61.485 62.100 0.121 0.000 1.000 111 T CB 1.560 70.492 68.868 0.106 0.000 1.034 111 T HN 0.785 nan 8.240 nan 0.000 0.467 112 V N 2.412 122.459 119.914 0.220 0.000 2.326 112 V HA 0.653 4.773 4.120 -0.000 0.000 0.281 112 V C 0.822 176.993 176.094 0.129 0.000 1.015 112 V CA -0.244 62.173 62.300 0.196 0.000 0.823 112 V CB 0.035 32.018 31.823 0.267 0.000 1.009 112 V HN 1.599 nan 8.190 nan 0.000 0.436 113 A N 4.051 126.929 122.820 0.096 0.000 2.745 113 A HA 0.024 4.344 4.320 -0.000 0.000 0.296 113 A C 1.748 179.373 177.584 0.069 0.000 1.500 113 A CA 1.288 53.363 52.037 0.064 0.000 0.766 113 A CB -1.533 17.483 19.000 0.027 0.000 1.030 113 A HN 2.569 nan 8.150 nan 0.000 0.489 114 G N -3.597 105.257 108.800 0.090 0.000 2.184 114 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.264 114 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.264 114 G C 0.338 175.300 174.900 0.102 0.000 0.975 114 G CA 0.596 45.747 45.100 0.085 0.000 0.642 114 G HN 1.900 nan 8.290 nan 0.000 0.536 115 V N 3.058 123.059 119.914 0.145 0.000 2.370 115 V HA 0.451 4.571 4.120 -0.000 0.000 0.279 115 V C -1.488 174.748 176.094 0.237 0.000 1.029 115 V CA -1.695 60.727 62.300 0.202 0.000 0.870 115 V CB 1.678 33.663 31.823 0.269 0.000 0.984 115 V HN 0.201 nan 8.190 nan 0.000 0.451 116 P HA 0.029 nan 4.420 nan 0.000 0.263 116 P C -0.384 176.900 177.300 -0.027 0.000 1.195 116 P CA -0.018 63.123 63.100 0.068 0.000 0.762 116 P CB 0.634 32.352 31.700 0.029 0.000 0.799 117 M N 6.348 125.902 119.600 -0.076 0.000 2.162 117 M HA 0.319 4.799 4.480 -0.000 0.000 0.356 117 M C -2.412 173.654 176.300 -0.391 0.000 1.303 117 M CA -2.239 52.804 55.300 -0.427 0.000 1.116 117 M CB 0.809 33.365 32.600 -0.072 0.000 1.632 117 M HN 0.080 nan 8.290 nan 0.000 0.469 118 P HA 0.009 nan 4.420 nan 0.000 0.264 118 P C 0.009 177.194 177.300 -0.193 0.000 1.183 118 P CA -0.079 62.832 63.100 -0.316 0.000 0.763 118 P CB 0.446 31.949 31.700 -0.328 0.000 0.807 119 R N 3.493 123.923 120.500 -0.117 0.000 2.143 119 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 119 R C 1.531 177.774 176.300 -0.094 0.000 1.126 119 R CA 2.659 58.711 56.100 -0.080 0.000 0.927 119 R CB -1.587 28.675 30.300 -0.064 0.000 0.860 119 R HN 0.688 nan 8.270 nan 0.000 0.433 120 D N -0.134 120.209 120.400 -0.094 0.000 2.311 120 D HA -0.104 4.536 4.640 -0.000 0.000 0.212 120 D C 1.413 177.650 176.300 -0.105 0.000 0.972 120 D CA 1.291 55.234 54.000 -0.094 0.000 0.887 120 D CB -0.065 40.691 40.800 -0.074 0.000 0.915 120 D HN 0.275 nan 8.370 nan 0.000 0.497 121 A N 0.051 122.809 122.820 -0.104 0.000 2.123 121 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 121 A C 1.971 179.506 177.584 -0.081 0.000 1.152 121 A CA 0.443 52.436 52.037 -0.073 0.000 0.728 121 A CB -0.363 18.605 19.000 -0.053 0.000 0.814 121 A HN 0.199 nan 8.150 nan 0.000 0.464 122 E N 0.360 120.496 120.200 -0.108 0.000 2.023 122 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 122 E C -0.791 175.594 176.600 -0.357 0.000 1.003 122 E CA 1.539 57.843 56.400 -0.161 0.000 0.809 122 E CB -0.697 28.892 29.700 -0.184 0.000 0.755 122 E HN 0.518 nan 8.360 nan 0.000 0.449 123 P HA -0.026 nan 4.420 nan 0.000 0.249 123 P C 0.348 177.182 177.300 -0.777 0.000 1.241 123 P CA 0.670 63.458 63.100 -0.520 0.000 0.781 123 P CB 0.292 31.786 31.700 -0.345 0.000 1.088 124 R N -0.980 119.178 120.500 -0.570 0.000 2.300 124 R HA 0.110 4.450 4.340 -0.000 0.000 0.199 124 R C 0.286 176.322 176.300 -0.441 0.000 0.920 124 R CA -0.091 55.734 56.100 -0.458 0.000 1.046 124 R CB -0.765 29.442 30.300 -0.155 0.000 0.984 124 R HN 0.383 nan 8.270 nan 0.000 0.493 125 H N -0.992 118.036 119.070 -0.070 0.000 4.747 125 H HA -0.190 4.366 4.556 -0.000 0.000 0.260 125 H C -0.845 174.601 175.328 0.197 0.000 0.537 125 H CA 0.276 56.314 56.048 -0.017 0.000 0.689 125 H CB -0.826 28.757 29.762 -0.298 0.000 0.913 125 H HN 0.094 nan 8.280 nan 0.000 0.306 126 L N 1.684 123.189 121.223 0.470 0.000 2.409 126 L HA 0.540 4.880 4.340 -0.000 0.000 0.272 126 L C -1.351 175.761 176.870 0.403 0.000 0.980 126 L CA -0.757 54.328 54.840 0.408 0.000 0.826 126 L CB 1.586 43.845 42.059 0.334 0.000 1.268 126 L HN 0.498 nan 8.230 nan 0.000 0.407 127 L N 6.165 127.512 121.223 0.207 0.000 2.298 127 L HA 0.618 4.958 4.340 -0.000 0.000 0.284 127 L C -1.120 175.735 176.870 -0.025 0.000 1.013 127 L CA -0.232 54.548 54.840 -0.100 0.000 0.824 127 L CB 1.679 43.537 42.059 -0.335 0.000 1.221 127 L HN 0.412 nan 8.230 nan 0.000 0.418 128 V N 5.269 125.175 119.914 -0.014 0.000 2.288 128 V HA 0.369 4.489 4.120 -0.000 0.000 0.266 128 V C 0.002 176.093 176.094 -0.005 0.000 1.048 128 V CA -0.583 61.729 62.300 0.020 0.000 0.842 128 V CB 0.712 32.575 31.823 0.067 0.000 1.064 128 V HN 0.815 nan 8.190 nan 0.000 0.472 129 N N 3.342 122.035 118.700 -0.011 0.000 2.438 129 N HA 0.744 5.484 4.740 -0.000 0.000 0.282 129 N C -0.133 175.385 175.510 0.012 0.000 1.037 129 N CA 0.264 53.307 53.050 -0.012 0.000 0.942 129 N CB 1.625 40.097 38.487 -0.025 0.000 1.136 129 N HN 0.840 nan 8.380 nan 0.000 0.481 130 G N 0.718 109.527 108.800 0.015 0.000 2.633 130 G HA2 0.548 4.508 3.960 -0.000 0.000 0.299 130 G HA3 0.548 4.508 3.960 -0.000 0.000 0.299 130 G C -1.144 173.769 174.900 0.022 0.000 1.501 130 G CA -0.352 44.763 45.100 0.024 0.000 0.887 130 G HN 0.723 nan 8.290 nan 0.000 0.561 131 A N 0.749 123.582 122.820 0.022 0.000 2.475 131 A HA 0.594 4.914 4.320 -0.000 0.000 0.239 131 A C 1.162 178.758 177.584 0.021 0.000 1.087 131 A CA 0.954 53.003 52.037 0.020 0.000 0.779 131 A CB 0.203 19.214 19.000 0.019 0.000 1.036 131 A HN 1.816 nan 8.150 nan 0.000 0.506 132 T N 0.084 114.650 114.554 0.019 0.000 2.867 132 T HA 0.421 4.771 4.350 -0.000 0.000 0.297 132 T C 1.289 175.998 174.700 0.016 0.000 0.989 132 T CA 1.526 63.637 62.100 0.019 0.000 1.159 132 T CB -0.497 68.382 68.868 0.018 0.000 0.928 132 T HN 2.381 nan 8.240 nan 0.000 0.538 133 G N 3.283 112.093 108.800 0.016 0.000 2.132 133 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.234 133 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.234 133 G C 0.756 175.664 174.900 0.014 0.000 0.989 133 G CA 0.923 46.031 45.100 0.013 0.000 0.676 133 G HN 1.264 nan 8.290 nan 0.000 0.522 134 T N -3.324 111.241 114.554 0.018 0.000 3.037 134 T HA 0.487 4.837 4.350 -0.000 0.000 0.251 134 T C 1.971 176.683 174.700 0.020 0.000 1.079 134 T CA 1.556 63.667 62.100 0.018 0.000 1.067 134 T CB 0.749 69.630 68.868 0.022 0.000 0.948 134 T HN 2.059 nan 8.240 nan 0.000 0.496 135 G N 1.129 109.944 108.800 0.025 0.000 2.234 135 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.153 135 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.153 135 G C 0.740 175.666 174.900 0.042 0.000 1.013 135 G CA 0.110 45.228 45.100 0.031 0.000 0.712 135 G HN 0.424 nan 8.290 nan 0.000 0.491 136 K N 0.808 121.234 120.400 0.044 0.000 2.044 136 K HA -0.088 4.232 4.320 -0.000 0.000 0.210 136 K C 2.593 179.233 176.600 0.066 0.000 1.049 136 K CA 1.850 58.172 56.287 0.058 0.000 0.927 136 K CB -0.235 32.299 32.500 0.056 0.000 0.713 136 K HN 0.307 nan 8.250 nan 0.000 0.443 137 S N 0.723 116.456 115.700 0.054 0.000 2.368 137 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 137 S C 2.137 176.768 174.600 0.051 0.000 1.030 137 S CA 1.100 59.329 58.200 0.047 0.000 0.999 137 S CB -0.211 63.005 63.200 0.027 0.000 0.844 137 S HN 0.052 nan 8.310 nan 0.000 0.459 138 V N 1.969 121.917 119.914 0.057 0.000 2.295 138 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 138 V C 2.188 178.335 176.094 0.088 0.000 1.049 138 V CA 1.612 63.959 62.300 0.078 0.000 1.024 138 V CB -0.568 31.295 31.823 0.066 0.000 0.648 138 V HN 0.421 nan 8.190 nan 0.000 0.447 139 L N -0.963 120.307 121.223 0.078 0.000 2.012 139 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 139 L C 2.318 179.246 176.870 0.097 0.000 1.073 139 L CA 1.734 56.627 54.840 0.089 0.000 0.748 139 L CB -0.174 41.936 42.059 0.084 0.000 0.891 139 L HN 0.236 nan 8.230 nan 0.000 0.431 140 L N -0.300 120.982 121.223 0.098 0.000 2.141 140 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 140 L C 2.690 179.509 176.870 -0.085 0.000 1.094 140 L CA 1.535 56.433 54.840 0.097 0.000 0.763 140 L CB -0.666 41.483 42.059 0.150 0.000 0.908 140 L HN 0.199 nan 8.230 nan 0.000 0.437 141 R N -0.506 119.973 120.500 -0.034 0.000 2.075 141 R HA -0.195 4.145 4.340 -0.000 0.000 0.232 141 R C 2.277 178.537 176.300 -0.067 0.000 1.126 141 R CA 1.575 57.644 56.100 -0.051 0.000 0.963 141 R CB -0.101 30.216 30.300 0.029 0.000 0.858 141 R HN 0.488 nan 8.270 nan 0.000 0.435 142 E N 0.513 120.754 120.200 0.068 0.000 2.077 142 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 142 E C 2.049 178.678 176.600 0.049 0.000 0.989 142 E CA 0.978 57.474 56.400 0.160 0.000 0.800 142 E CB -0.128 29.680 29.700 0.180 0.000 0.746 142 E HN 0.355 nan 8.360 nan 0.000 0.452 143 L N 0.500 121.716 121.223 -0.012 0.000 1.989 143 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 143 L C 2.668 179.378 176.870 -0.267 0.000 1.071 143 L CA 1.482 56.284 54.840 -0.064 0.000 0.749 143 L CB -0.494 41.623 42.059 0.097 0.000 0.890 143 L HN 0.306 nan 8.230 nan 0.000 0.431 144 A N -0.823 121.700 122.820 -0.494 0.000 1.892 144 A HA -0.342 3.978 4.320 -0.000 0.000 0.218 144 A C 2.121 179.334 177.584 -0.617 0.000 1.188 144 A CA 2.087 53.657 52.037 -0.778 0.000 0.631 144 A CB -1.173 17.211 19.000 -1.026 0.000 0.822 144 A HN 0.597 nan 8.150 nan 0.000 0.447 145 Y N 1.863 121.691 120.300 -0.786 0.000 2.053 145 Y HA -0.285 4.265 4.550 -0.000 0.000 0.277 145 Y C 2.932 178.597 175.900 -0.391 0.000 1.159 145 Y CA 2.925 60.541 58.100 -0.808 0.000 1.125 145 Y CB -1.099 37.012 38.460 -0.582 0.000 0.969 145 Y HN 0.448 nan 8.280 nan 0.000 0.492 146 T N -2.337 111.953 114.554 -0.440 0.000 2.881 146 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 146 T C 2.166 176.664 174.700 -0.335 0.000 1.068 146 T CA 1.250 63.097 62.100 -0.422 0.000 1.131 146 T CB -1.324 67.449 68.868 -0.158 0.000 0.871 146 T HN 0.444 nan 8.240 nan 0.000 0.479 147 G N 1.377 109.967 108.800 -0.350 0.000 2.408 147 G HA2 0.030 3.990 3.960 -0.000 0.000 0.217 147 G HA3 0.030 3.990 3.960 -0.000 0.000 0.217 147 G C 1.517 176.303 174.900 -0.191 0.000 1.150 147 G CA 0.548 45.477 45.100 -0.286 0.000 0.776 147 G HN 0.528 nan 8.290 nan 0.000 0.542 148 L N 0.020 121.074 121.223 -0.282 0.000 2.093 148 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 148 L C 2.827 179.588 176.870 -0.181 0.000 1.085 148 L CA 0.370 55.092 54.840 -0.196 0.000 0.755 148 L CB -0.321 41.591 42.059 -0.245 0.000 0.904 148 L HN 0.174 nan 8.230 nan 0.000 0.435 149 L N -0.484 120.555 121.223 -0.306 0.000 2.131 149 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 149 L C 2.647 179.440 176.870 -0.128 0.000 1.092 149 L CA 1.155 55.846 54.840 -0.248 0.000 0.759 149 L CB -0.451 41.385 42.059 -0.371 0.000 0.903 149 L HN 0.250 nan 8.230 nan 0.000 0.435 150 R N 0.177 120.614 120.500 -0.104 0.000 2.276 150 R HA -0.014 4.326 4.340 -0.000 0.000 0.203 150 R C 1.137 177.435 176.300 -0.003 0.000 1.017 150 R CA 0.689 56.769 56.100 -0.034 0.000 1.010 150 R CB 0.105 30.407 30.300 0.004 0.000 0.900 150 R HN 0.413 nan 8.270 nan 0.000 0.469 151 G N 1.209 110.003 108.800 -0.009 0.000 2.137 151 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.237 151 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.237 151 G C -0.744 174.189 174.900 0.056 0.000 1.002 151 G CA 0.196 45.307 45.100 0.019 0.000 0.702 151 G HN 0.397 nan 8.290 nan 0.000 0.515 152 D N 0.068 120.527 120.400 0.098 0.000 2.339 152 D HA 0.432 5.072 4.640 -0.000 0.000 0.245 152 D C 1.088 177.500 176.300 0.186 0.000 1.115 152 D CA -0.049 54.061 54.000 0.184 0.000 0.917 152 D CB 0.801 41.843 40.800 0.403 0.000 1.192 152 D HN 0.396 nan 8.370 nan 0.000 0.428 153 R N 0.480 121.088 120.500 0.179 0.000 2.532 153 R HA 0.701 5.041 4.340 -0.000 0.000 0.272 153 R C 0.247 176.721 176.300 0.290 0.000 1.032 153 R CA -0.549 55.651 56.100 0.168 0.000 1.089 153 R CB 1.064 31.385 30.300 0.034 0.000 1.098 153 R HN 0.510 nan 8.270 nan 0.000 0.526 154 M N -1.530 118.253 119.600 0.305 0.000 2.643 154 M HA 0.386 4.866 4.480 -0.000 0.000 0.276 154 M C -1.597 174.890 176.300 0.311 0.000 1.200 154 M CA -1.144 54.375 55.300 0.365 0.000 0.863 154 M CB 1.865 34.715 32.600 0.418 0.000 1.711 154 M HN 0.190 nan 8.290 nan 0.000 0.492 155 V N 2.863 122.956 119.914 0.299 0.000 2.409 155 V HA 0.590 4.709 4.120 -0.000 0.000 0.291 155 V C -0.566 175.612 176.094 0.140 0.000 1.020 155 V CA -0.411 61.985 62.300 0.161 0.000 0.848 155 V CB 1.763 33.702 31.823 0.194 0.000 0.990 155 V HN 0.726 nan 8.190 nan 0.000 0.430 156 I N 4.890 125.439 120.570 -0.036 0.000 2.382 156 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 156 I C -0.219 175.973 176.117 0.124 0.000 1.002 156 I CA -0.842 60.487 61.300 0.048 0.000 1.135 156 I CB 2.088 39.983 38.000 -0.175 0.000 1.288 156 I HN 0.269 nan 8.210 nan 0.000 0.448 157 V N 4.960 125.017 119.914 0.238 0.000 2.364 157 V HA 0.014 4.134 4.120 -0.000 0.000 0.252 157 V C -0.098 176.191 176.094 0.325 0.000 1.075 157 V CA 0.234 62.745 62.300 0.351 0.000 1.033 157 V CB 0.165 32.200 31.823 0.353 0.000 1.116 157 V HN 0.630 nan 8.190 nan 0.000 0.488 158 D N 7.291 127.842 120.400 0.251 0.000 2.454 158 D HA 0.390 5.030 4.640 -0.000 0.000 0.225 158 D C -2.705 173.351 176.300 -0.405 0.000 1.081 158 D CA -2.122 51.888 54.000 0.017 0.000 0.864 158 D CB 1.862 42.737 40.800 0.127 0.000 1.040 158 D HN 0.253 nan 8.370 nan 0.000 0.517 159 P HA 0.173 nan 4.420 nan 0.000 0.271 159 P C -0.226 176.677 177.300 -0.662 0.000 1.216 159 P CA -0.190 62.215 63.100 -1.158 0.000 0.771 159 P CB 0.481 31.800 31.700 -0.635 0.000 0.864 160 N N 2.357 120.634 118.700 -0.704 0.000 2.713 160 N HA -0.213 4.526 4.740 -0.000 0.000 0.251 160 N C 0.867 176.228 175.510 -0.248 0.000 1.117 160 N CA 1.645 54.457 53.050 -0.396 0.000 0.770 160 N CB -1.856 36.455 38.487 -0.293 0.000 1.137 160 N HN 0.887 nan 8.380 nan 0.000 0.566 161 G N 0.405 109.067 108.800 -0.230 0.000 2.283 161 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.280 161 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.280 161 G C 0.642 175.463 174.900 -0.131 0.000 1.029 161 G CA 1.307 46.339 45.100 -0.114 0.000 0.840 161 G HN 0.641 nan 8.290 nan 0.000 0.505 162 D N -0.366 119.943 120.400 -0.153 0.000 2.078 162 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 162 D C 2.604 178.783 176.300 -0.203 0.000 0.990 162 D CA 1.690 55.592 54.000 -0.163 0.000 0.827 162 D CB -0.109 40.602 40.800 -0.148 0.000 0.975 162 D HN 0.331 nan 8.370 nan 0.000 0.451 163 M N -0.225 119.305 119.600 -0.117 0.000 2.149 163 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 163 M C 2.267 178.533 176.300 -0.057 0.000 1.064 163 M CA 0.722 55.976 55.300 -0.077 0.000 1.102 163 M CB -0.806 31.908 32.600 0.191 0.000 1.369 163 M HN 0.256 nan 8.290 nan 0.000 0.408 164 L N 0.901 122.067 121.223 -0.094 0.000 2.017 164 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 164 L C 2.621 179.207 176.870 -0.474 0.000 1.073 164 L CA 2.426 56.891 54.840 -0.625 0.000 0.745 164 L CB -0.905 40.883 42.059 -0.451 0.000 0.894 164 L HN 0.404 nan 8.230 nan 0.000 0.432 165 S N -1.722 113.789 115.700 -0.315 0.000 2.474 165 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 165 S C 1.753 176.175 174.600 -0.297 0.000 0.997 165 S CA 0.642 58.688 58.200 -0.257 0.000 0.949 165 S CB -0.393 62.696 63.200 -0.184 0.000 0.766 165 S HN 0.492 nan 8.310 nan 0.000 0.517 166 K N 0.276 120.389 120.400 -0.480 0.000 2.262 166 K HA 0.268 4.588 4.320 -0.000 0.000 0.200 166 K C 0.549 176.806 176.600 -0.572 0.000 1.058 166 K CA 0.655 56.534 56.287 -0.680 0.000 0.974 166 K CB -0.249 31.463 32.500 -1.313 0.000 0.910 166 K HN 0.556 nan 8.250 nan 0.000 0.484 167 F N 0.786 120.704 119.950 -0.053 0.000 2.706 167 F HA 0.333 4.859 4.527 -0.000 0.000 0.313 167 F C 1.095 176.911 175.800 0.028 0.000 1.096 167 F CA -1.219 56.802 58.000 0.035 0.000 1.219 167 F CB -0.301 38.758 39.000 0.099 0.000 1.051 167 F HN -0.179 nan 8.300 nan 0.000 0.568 168 G N 1.436 110.151 108.800 -0.140 0.000 2.361 168 G HA2 0.454 4.414 3.960 -0.000 0.000 0.260 168 G HA3 0.454 4.414 3.960 -0.000 0.000 0.260 168 G C 0.093 174.933 174.900 -0.100 0.000 1.261 168 G CA -0.225 44.667 45.100 -0.346 0.000 0.897 168 G HN 0.157 nan 8.290 nan 0.000 0.499 169 R N 1.158 121.658 120.500 0.000 0.000 2.843 169 R HA 0.412 4.752 4.340 -0.000 0.000 0.232 169 R C 0.468 176.775 176.300 0.012 0.000 1.305 169 R CA -0.725 55.395 56.100 0.033 0.000 1.096 169 R CB 0.736 31.091 30.300 0.091 0.000 1.455 169 R HN 0.412 nan 8.270 nan 0.000 0.520 170 D N 0.260 120.675 120.400 0.026 0.000 2.213 170 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 170 D C 0.991 177.320 176.300 0.047 0.000 0.961 170 D CA 1.117 55.129 54.000 0.019 0.000 0.853 170 D CB 0.110 40.921 40.800 0.018 0.000 0.967 170 D HN 0.435 nan 8.370 nan 0.000 0.496 171 K N 0.424 120.871 120.400 0.077 0.000 2.486 171 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 171 K C -0.152 176.542 176.600 0.157 0.000 1.033 171 K CA 0.310 56.662 56.287 0.109 0.000 1.004 171 K CB 0.182 32.748 32.500 0.111 0.000 0.798 171 K HN -0.048 nan 8.250 nan 0.000 0.495 172 D N 1.355 121.845 120.400 0.150 0.000 2.313 172 D HA 0.185 4.825 4.640 -0.000 0.000 0.247 172 D C 0.131 176.508 176.300 0.127 0.000 1.094 172 D CA -0.293 53.836 54.000 0.215 0.000 0.925 172 D CB 0.938 41.902 40.800 0.273 0.000 1.188 172 D HN -0.043 nan 8.370 nan 0.000 0.430 173 I N 1.475 122.119 120.570 0.124 0.000 2.498 173 I HA 0.390 4.560 4.170 -0.000 0.000 0.301 173 I C 0.374 176.417 176.117 -0.122 0.000 0.984 173 I CA -0.526 60.708 61.300 -0.110 0.000 1.204 173 I CB 1.092 38.874 38.000 -0.362 0.000 1.362 173 I HN 0.183 nan 8.210 nan 0.000 0.471 174 I N 5.867 126.291 120.570 -0.243 0.000 2.499 174 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 174 I C -0.826 175.088 176.117 -0.339 0.000 1.048 174 I CA -0.524 60.661 61.300 -0.191 0.000 1.062 174 I CB 2.382 40.311 38.000 -0.119 0.000 1.238 174 I HN 0.217 nan 8.210 nan 0.000 0.426 175 L N 6.574 127.568 121.223 -0.381 0.000 2.316 175 L HA 0.535 4.875 4.340 -0.000 0.000 0.280 175 L C -0.659 176.080 176.870 -0.219 0.000 1.006 175 L CA -0.309 54.164 54.840 -0.612 0.000 0.836 175 L CB 1.200 42.443 42.059 -1.359 0.000 1.221 175 L HN 0.558 nan 8.230 nan 0.000 0.418 176 N N 5.385 124.099 118.700 0.025 0.000 2.839 176 N HA 0.149 4.889 4.740 -0.000 0.000 0.258 176 N C -2.363 173.309 175.510 0.270 0.000 1.150 176 N CA -1.003 52.227 53.050 0.299 0.000 0.957 176 N CB 2.396 41.064 38.487 0.302 0.000 1.560 176 N HN 0.101 nan 8.380 nan 0.000 0.588 177 P HA -0.104 nan 4.420 nan 0.000 0.223 177 P C 0.308 177.453 177.300 -0.258 0.000 1.144 177 P CA 1.276 64.377 63.100 0.001 0.000 0.783 177 P CB 0.122 31.763 31.700 -0.098 0.000 0.771 178 Y N -1.202 119.236 120.300 0.230 0.000 2.467 178 Y HA 0.265 4.815 4.550 -0.000 0.000 0.250 178 Y C 1.030 177.057 175.900 0.211 0.000 1.155 178 Y CA -0.639 57.612 58.100 0.253 0.000 1.249 178 Y CB 0.012 38.679 38.460 0.345 0.000 1.146 178 Y HN -0.065 nan 8.280 nan 0.000 0.524 179 D N 0.810 121.356 120.400 0.243 0.000 2.198 179 D HA 0.022 4.662 4.640 -0.000 0.000 0.245 179 D C 0.927 177.179 176.300 -0.081 0.000 1.079 179 D CA -0.066 53.921 54.000 -0.021 0.000 0.854 179 D CB 1.708 42.552 40.800 0.074 0.000 1.148 179 D HN 0.225 nan 8.370 nan 0.000 0.456 180 Q N 3.225 122.924 119.800 -0.167 0.000 2.234 180 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 180 Q C 1.203 177.150 176.000 -0.089 0.000 0.980 180 Q CA 1.494 57.227 55.803 -0.116 0.000 0.869 180 Q CB 0.252 28.908 28.738 -0.135 0.000 0.912 180 Q HN 0.403 nan 8.270 nan 0.000 0.436 181 R N -0.223 120.217 120.500 -0.099 0.000 2.313 181 R HA 0.076 4.416 4.340 -0.000 0.000 0.199 181 R C 0.677 176.921 176.300 -0.094 0.000 0.958 181 R CA 0.452 56.498 56.100 -0.089 0.000 1.047 181 R CB 0.024 30.265 30.300 -0.098 0.000 0.955 181 R HN 0.084 nan 8.270 nan 0.000 0.481 182 T N 1.223 115.728 114.554 -0.082 0.000 2.903 182 T HA 0.009 4.359 4.350 -0.000 0.000 0.314 182 T C 0.288 174.915 174.700 -0.121 0.000 1.078 182 T CA -0.099 61.934 62.100 -0.111 0.000 1.114 182 T CB 0.492 69.330 68.868 -0.050 0.000 0.987 182 T HN -0.075 nan 8.240 nan 0.000 0.548 183 K N 2.379 122.647 120.400 -0.220 0.000 2.102 183 K HA 0.432 4.752 4.320 -0.000 0.000 0.244 183 K C 0.606 177.202 176.600 -0.006 0.000 1.021 183 K CA -0.472 55.714 56.287 -0.168 0.000 0.913 183 K CB 0.519 32.750 32.500 -0.449 0.000 1.062 183 K HN 0.768 nan 8.250 nan 0.000 0.485 184 G N 0.081 108.947 108.800 0.111 0.000 2.356 184 G HA2 0.373 4.333 3.960 -0.000 0.000 0.298 184 G HA3 0.373 4.333 3.960 -0.000 0.000 0.298 184 G C -1.488 173.630 174.900 0.364 0.000 1.145 184 G CA -0.380 44.835 45.100 0.191 0.000 0.850 184 G HN 0.567 nan 8.290 nan 0.000 0.487 185 W N 1.490 122.904 121.300 0.189 0.000 3.213 185 W HA 0.619 5.279 4.660 -0.000 0.000 0.318 185 W C -0.676 176.033 176.519 0.318 0.000 1.248 185 W CA -0.761 56.752 57.345 0.279 0.000 1.187 185 W CB 2.188 31.857 29.460 0.347 0.000 1.403 185 W HN 0.794 nan 8.180 nan 0.000 0.556 186 S N 3.665 118.852 115.700 -0.855 0.000 2.537 186 S HA 0.307 4.777 4.470 -0.000 0.000 0.270 186 S C 0.088 173.744 174.600 -1.573 0.000 1.142 186 S CA -0.388 57.305 58.200 -0.844 0.000 0.870 186 S CB 0.300 63.390 63.200 -0.182 0.000 1.112 186 S HN 0.910 nan 8.310 nan 0.000 0.466 187 F N 2.715 121.920 119.950 -1.243 0.000 2.451 187 F HA 0.230 4.757 4.527 -0.000 0.000 0.299 187 F C 1.148 176.651 175.800 -0.495 0.000 1.101 187 F CA 0.537 58.090 58.000 -0.745 0.000 1.436 187 F CB -0.773 38.053 39.000 -0.290 0.000 1.074 187 F HN 0.533 nan 8.300 nan 0.000 0.553 188 F N 1.651 120.901 119.950 -1.167 0.000 2.161 188 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 188 F C 1.955 177.394 175.800 -0.600 0.000 1.089 188 F CA 1.514 58.969 58.000 -0.907 0.000 1.282 188 F CB -0.745 37.919 39.000 -0.560 0.000 1.010 188 F HN 0.009 nan 8.300 nan 0.000 0.485 189 N N 0.130 118.636 118.700 -0.323 0.000 2.513 189 N HA -0.145 4.595 4.740 -0.000 0.000 0.187 189 N C 1.284 176.655 175.510 -0.232 0.000 1.056 189 N CA 0.955 53.865 53.050 -0.233 0.000 0.907 189 N CB -0.339 38.033 38.487 -0.192 0.000 0.954 189 N HN 0.374 nan 8.380 nan 0.000 0.445 190 E N -0.211 119.778 120.200 -0.352 0.000 2.460 190 E HA 0.110 4.460 4.350 -0.000 0.000 0.200 190 E C 0.323 176.636 176.600 -0.479 0.000 1.011 190 E CA -0.127 56.005 56.400 -0.446 0.000 0.912 190 E CB 0.593 29.808 29.700 -0.809 0.000 0.953 190 E HN 0.219 nan 8.360 nan 0.000 0.494 191 I N 1.926 122.194 120.570 -0.503 0.000 2.533 191 I HA 0.037 4.207 4.170 -0.000 0.000 0.284 191 I C 1.404 177.302 176.117 -0.364 0.000 1.109 191 I CA 0.640 61.607 61.300 -0.555 0.000 1.412 191 I CB 0.403 37.814 38.000 -0.983 0.000 1.396 191 I HN -0.013 nan 8.210 nan 0.000 0.543 192 R N 3.600 123.917 120.500 -0.304 0.000 2.573 192 R HA 0.249 4.589 4.340 -0.000 0.000 0.224 192 R C 0.029 176.231 176.300 -0.164 0.000 0.904 192 R CA -0.114 55.873 56.100 -0.187 0.000 0.995 192 R CB 0.726 30.953 30.300 -0.123 0.000 1.430 192 R HN 0.623 nan 8.270 nan 0.000 0.631 193 N N -0.024 118.518 118.700 -0.263 0.000 2.697 193 N HA 0.042 4.782 4.740 -0.000 0.000 0.272 193 N C -0.390 175.011 175.510 -0.182 0.000 1.381 193 N CA -0.410 52.535 53.050 -0.176 0.000 0.797 193 N CB 1.664 40.039 38.487 -0.186 0.000 1.523 193 N HN -0.173 nan 8.380 nan 0.000 0.518 194 D N -0.164 120.264 120.400 0.047 0.000 2.144 194 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 194 D C 1.706 178.131 176.300 0.208 0.000 0.978 194 D CA 1.473 55.602 54.000 0.214 0.000 0.833 194 D CB -0.031 40.919 40.800 0.250 0.000 0.961 194 D HN 0.653 nan 8.370 nan 0.000 0.470 195 Y N -0.819 119.554 120.300 0.121 0.000 2.569 195 Y HA 0.036 4.586 4.550 -0.000 0.000 0.293 195 Y C 1.284 177.235 175.900 0.084 0.000 1.144 195 Y CA 0.645 58.805 58.100 0.101 0.000 1.321 195 Y CB -0.483 38.011 38.460 0.055 0.000 0.982 195 Y HN -0.129 nan 8.280 nan 0.000 0.558 196 D N 0.227 120.376 120.400 -0.417 0.000 2.269 196 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 196 D C 1.328 177.621 176.300 -0.011 0.000 0.963 196 D CA 1.028 54.858 54.000 -0.284 0.000 0.864 196 D CB -0.437 40.154 40.800 -0.348 0.000 0.936 196 D HN 0.565 nan 8.370 nan 0.000 0.505 197 W N 1.255 122.618 121.300 0.104 0.000 2.353 197 W HA -0.187 4.473 4.660 -0.000 0.000 0.319 197 W C 2.710 179.314 176.519 0.140 0.000 1.207 197 W CA 0.624 58.065 57.345 0.161 0.000 1.291 197 W CB -0.513 29.017 29.460 0.116 0.000 1.159 197 W HN -0.044 nan 8.180 nan 0.000 0.478 198 Q N 1.148 121.144 119.800 0.328 0.000 2.124 198 Q HA -0.204 4.135 4.340 -0.000 0.000 0.202 198 Q C 2.177 178.237 176.000 0.100 0.000 0.977 198 Q CA 1.923 57.839 55.803 0.188 0.000 0.850 198 Q CB -0.502 28.324 28.738 0.147 0.000 0.901 198 Q HN 0.215 nan 8.270 nan 0.000 0.429 199 R N -1.224 119.300 120.500 0.040 0.000 2.096 199 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 199 R C 1.367 177.486 176.300 -0.302 0.000 1.139 199 R CA 2.018 58.017 56.100 -0.169 0.000 0.952 199 R CB -0.313 29.798 30.300 -0.314 0.000 0.854 199 R HN 0.463 nan 8.270 nan 0.000 0.436 200 Y N -1.188 119.180 120.300 0.115 0.000 2.482 200 Y HA 0.255 4.805 4.550 -0.000 0.000 0.270 200 Y C 1.997 177.922 175.900 0.042 0.000 1.152 200 Y CA 0.228 58.407 58.100 0.133 0.000 1.292 200 Y CB 0.386 38.980 38.460 0.224 0.000 1.070 200 Y HN 0.200 nan 8.280 nan 0.000 0.528 201 A N -0.279 122.618 122.820 0.129 0.000 2.014 201 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 201 A C 1.879 179.460 177.584 -0.005 0.000 1.163 201 A CA 1.002 53.033 52.037 -0.010 0.000 0.652 201 A CB -0.499 18.537 19.000 0.061 0.000 0.808 201 A HN 0.341 nan 8.150 nan 0.000 0.449 202 L N -0.104 121.135 121.223 0.026 0.000 2.291 202 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 202 L C 2.300 179.189 176.870 0.032 0.000 1.120 202 L CA 1.799 56.649 54.840 0.017 0.000 0.799 202 L CB -0.717 41.343 42.059 0.002 0.000 0.925 202 L HN 0.339 nan 8.230 nan 0.000 0.446 203 S N -1.908 113.833 115.700 0.069 0.000 2.427 203 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 203 S C 1.968 176.623 174.600 0.091 0.000 1.047 203 S CA 0.651 58.925 58.200 0.123 0.000 0.953 203 S CB 0.066 63.429 63.200 0.271 0.000 0.824 203 S HN 0.193 nan 8.310 nan 0.000 0.502 204 V N 1.683 121.605 119.914 0.014 0.000 2.358 204 V HA -0.004 4.116 4.120 -0.000 0.000 0.246 204 V C 0.748 176.825 176.094 -0.029 0.000 1.047 204 V CA 1.045 63.293 62.300 -0.086 0.000 1.035 204 V CB -0.345 31.210 31.823 -0.447 0.000 0.658 204 V HN 0.285 nan 8.190 nan 0.000 0.452 205 V N 3.263 123.157 119.914 -0.033 0.000 2.239 205 V HA 0.310 4.430 4.120 -0.000 0.000 0.267 205 V C -2.053 174.046 176.094 0.009 0.000 1.056 205 V CA -1.731 60.569 62.300 0.001 0.000 0.830 205 V CB 0.759 32.585 31.823 0.006 0.000 1.090 205 V HN 0.316 nan 8.190 nan 0.000 0.459 206 P HA 0.115 nan 4.420 nan 0.000 0.272 206 P C -0.132 177.155 177.300 -0.021 0.000 1.254 206 P CA -0.426 62.670 63.100 -0.008 0.000 0.795 206 P CB 0.783 32.468 31.700 -0.024 0.000 1.022 207 R N -0.220 120.253 120.500 -0.045 0.000 2.679 207 R HA 0.243 4.583 4.340 -0.000 0.000 0.268 207 R C 1.039 177.295 176.300 -0.073 0.000 1.044 207 R CA 0.223 56.289 56.100 -0.058 0.000 1.105 207 R CB -0.660 29.598 30.300 -0.069 0.000 0.989 207 R HN 0.624 nan 8.270 nan 0.000 0.447 208 G N 1.031 109.792 108.800 -0.065 0.000 2.527 208 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.248 208 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.248 208 G C 0.823 175.666 174.900 -0.095 0.000 1.231 208 G CA -0.371 44.689 45.100 -0.068 0.000 0.838 208 G HN 0.631 nan 8.290 nan 0.000 0.570 209 K N -0.384 119.966 120.400 -0.084 0.000 2.057 209 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 209 K C 1.430 177.976 176.600 -0.089 0.000 1.050 209 K CA 1.541 57.776 56.287 -0.087 0.000 0.935 209 K CB -0.132 32.331 32.500 -0.060 0.000 0.715 209 K HN 0.630 nan 8.250 nan 0.000 0.439 210 T N -2.007 112.480 114.554 -0.112 0.000 2.950 210 T HA 0.187 4.537 4.350 -0.000 0.000 0.288 210 T C 0.474 175.067 174.700 -0.178 0.000 1.035 210 T CA -0.939 61.083 62.100 -0.131 0.000 1.028 210 T CB 1.501 70.283 68.868 -0.143 0.000 1.109 210 T HN -0.056 nan 8.240 nan 0.000 0.514 211 D N 0.294 120.595 120.400 -0.164 0.000 2.133 211 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 211 D C 1.696 177.825 176.300 -0.285 0.000 0.997 211 D CA 1.498 55.390 54.000 -0.180 0.000 0.840 211 D CB -0.034 40.684 40.800 -0.136 0.000 0.947 211 D HN 0.861 nan 8.370 nan 0.000 0.452 212 E N 0.213 120.190 120.200 -0.372 0.000 2.106 212 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 212 E C 1.970 177.928 176.600 -1.071 0.000 0.984 212 E CA 0.843 56.859 56.400 -0.639 0.000 0.806 212 E CB 0.059 29.398 29.700 -0.601 0.000 0.750 212 E HN 0.167 nan 8.360 nan 0.000 0.458 213 A N 0.974 123.327 122.820 -0.778 0.000 1.930 213 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 213 A C 1.996 179.428 177.584 -0.253 0.000 1.175 213 A CA 1.688 53.403 52.037 -0.538 0.000 0.627 213 A CB -0.417 18.469 19.000 -0.189 0.000 0.815 213 A HN 0.257 nan 8.150 nan 0.000 0.443 214 E N 0.375 120.425 120.200 -0.250 0.000 2.152 214 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 214 E C 1.865 178.350 176.600 -0.190 0.000 0.983 214 E CA 1.472 57.778 56.400 -0.157 0.000 0.818 214 E CB -0.296 29.320 29.700 -0.141 0.000 0.758 214 E HN 0.703 nan 8.360 nan 0.000 0.467 215 E N -0.723 119.290 120.200 -0.312 0.000 2.077 215 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 215 E C 1.464 177.863 176.600 -0.335 0.000 0.989 215 E CA 1.312 57.483 56.400 -0.382 0.000 0.800 215 E CB -0.212 29.258 29.700 -0.383 0.000 0.746 215 E HN 0.368 nan 8.360 nan 0.000 0.452 216 W N 0.556 121.791 121.300 -0.108 0.000 2.355 216 W HA -0.060 4.600 4.660 -0.000 0.000 0.309 216 W C 2.531 179.075 176.519 0.041 0.000 1.206 216 W CA 0.908 58.292 57.345 0.065 0.000 1.284 216 W CB -1.388 28.144 29.460 0.120 0.000 1.145 216 W HN 0.214 nan 8.180 nan 0.000 0.502 217 A N 1.151 124.102 122.820 0.219 0.000 1.903 217 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 217 A C 2.285 179.919 177.584 0.083 0.000 1.191 217 A CA 3.590 55.705 52.037 0.130 0.000 0.638 217 A CB -1.374 17.659 19.000 0.056 0.000 0.823 217 A HN 0.318 nan 8.150 nan 0.000 0.451 218 S N -1.216 114.473 115.700 -0.019 0.000 2.370 218 S HA -0.243 4.227 4.470 -0.000 0.000 0.226 218 S C 1.938 176.593 174.600 0.092 0.000 1.033 218 S CA 1.554 59.731 58.200 -0.038 0.000 1.011 218 S CB -1.004 62.093 63.200 -0.172 0.000 0.852 218 S HN 0.668 nan 8.310 nan 0.000 0.457 219 Y N 1.990 122.406 120.300 0.193 0.000 2.181 219 Y HA 0.002 4.552 4.550 -0.000 0.000 0.288 219 Y C 3.096 179.154 175.900 0.263 0.000 1.146 219 Y CA 0.365 58.636 58.100 0.286 0.000 1.164 219 Y CB -0.875 37.793 38.460 0.346 0.000 0.982 219 Y HN 0.473 nan 8.280 nan 0.000 0.515 220 G N 0.325 109.325 108.800 0.334 0.000 2.440 220 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 220 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 220 G C 1.634 176.622 174.900 0.147 0.000 1.154 220 G CA 0.753 45.971 45.100 0.196 0.000 0.767 220 G HN 0.308 nan 8.290 nan 0.000 0.552 221 R N -0.467 120.112 120.500 0.132 0.000 2.092 221 R HA 0.030 4.370 4.340 -0.000 0.000 0.231 221 R C 2.444 178.815 176.300 0.118 0.000 1.119 221 R CA 0.990 57.144 56.100 0.090 0.000 0.970 221 R CB -0.567 29.773 30.300 0.066 0.000 0.864 221 R HN 0.400 nan 8.270 nan 0.000 0.440 222 L N 1.326 122.654 121.223 0.174 0.000 1.994 222 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 222 L C 2.102 179.091 176.870 0.198 0.000 1.071 222 L CA 1.592 56.532 54.840 0.167 0.000 0.745 222 L CB -0.736 41.433 42.059 0.183 0.000 0.892 222 L HN 0.107 nan 8.230 nan 0.000 0.431 223 L N -0.899 120.505 121.223 0.302 0.000 2.046 223 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 223 L C 2.311 179.236 176.870 0.092 0.000 1.077 223 L CA 1.956 56.920 54.840 0.206 0.000 0.747 223 L CB -0.901 41.184 42.059 0.044 0.000 0.896 223 L HN 0.457 nan 8.230 nan 0.000 0.432 224 L N 0.318 121.586 121.223 0.076 0.000 2.005 224 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 224 L C 2.847 179.753 176.870 0.059 0.000 1.072 224 L CA 2.310 57.177 54.840 0.045 0.000 0.744 224 L CB -0.869 41.178 42.059 -0.019 0.000 0.895 224 L HN 0.520 nan 8.230 nan 0.000 0.433 225 R N -1.077 119.462 120.500 0.065 0.000 2.096 225 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 225 R C 1.799 178.011 176.300 -0.147 0.000 1.127 225 R CA 1.521 57.653 56.100 0.054 0.000 0.968 225 R CB -0.760 29.615 30.300 0.126 0.000 0.861 225 R HN 0.355 nan 8.270 nan 0.000 0.440 226 E N 0.590 120.732 120.200 -0.097 0.000 2.107 226 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 226 E C 1.984 178.466 176.600 -0.195 0.000 0.982 226 E CA 1.636 57.933 56.400 -0.173 0.000 0.809 226 E CB -0.242 29.394 29.700 -0.107 0.000 0.756 226 E HN 0.418 nan 8.360 nan 0.000 0.459 227 T N 1.115 115.626 114.554 -0.072 0.000 2.812 227 T HA -0.038 4.312 4.350 -0.000 0.000 0.264 227 T C 1.922 176.694 174.700 0.119 0.000 1.042 227 T CA 1.314 63.446 62.100 0.052 0.000 1.140 227 T CB -0.102 68.873 68.868 0.177 0.000 0.870 227 T HN 0.236 nan 8.240 nan 0.000 0.445 228 A N 1.463 124.321 122.820 0.062 0.000 1.930 228 A HA -0.026 4.293 4.320 -0.000 0.000 0.217 228 A C 2.228 179.705 177.584 -0.180 0.000 1.175 228 A CA 1.496 53.621 52.037 0.147 0.000 0.627 228 A CB -0.447 18.670 19.000 0.196 0.000 0.815 228 A HN 0.402 nan 8.150 nan 0.000 0.443 229 K N -0.089 119.874 120.400 -0.727 0.000 2.032 229 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 229 K C 2.199 178.596 176.600 -0.338 0.000 1.048 229 K CA 1.889 57.577 56.287 -0.999 0.000 0.927 229 K CB -0.169 31.734 32.500 -0.995 0.000 0.712 229 K HN 0.468 nan 8.250 nan 0.000 0.441 230 K N 0.726 120.986 120.400 -0.234 0.000 2.057 230 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 230 K C 2.182 178.814 176.600 0.054 0.000 1.050 230 K CA 1.007 57.206 56.287 -0.147 0.000 0.935 230 K CB -0.061 32.216 32.500 -0.372 0.000 0.715 230 K HN 0.106 nan 8.250 nan 0.000 0.439 231 L N 0.601 121.947 121.223 0.206 0.000 2.042 231 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 231 L C 2.643 179.584 176.870 0.117 0.000 1.076 231 L CA 1.406 56.397 54.840 0.252 0.000 0.749 231 L CB -0.592 41.664 42.059 0.328 0.000 0.893 231 L HN 0.331 nan 8.230 nan 0.000 0.432 232 A N -0.318 122.586 122.820 0.140 0.000 1.902 232 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 232 A C 2.292 179.924 177.584 0.079 0.000 1.181 232 A CA 1.334 53.438 52.037 0.111 0.000 0.623 232 A CB -0.685 18.557 19.000 0.402 0.000 0.818 232 A HN 0.345 nan 8.150 nan 0.000 0.443 233 L N 0.305 121.569 121.223 0.069 0.000 1.989 233 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 233 L C 2.380 179.270 176.870 0.033 0.000 1.071 233 L CA 2.425 57.289 54.840 0.041 0.000 0.749 233 L CB -0.513 41.544 42.059 -0.003 0.000 0.890 233 L HN 0.705 nan 8.230 nan 0.000 0.431 234 I N -2.703 117.893 120.570 0.044 0.000 3.528 234 I HA 0.131 4.301 4.170 -0.000 0.000 0.298 234 I C 1.194 177.334 176.117 0.038 0.000 1.281 234 I CA 0.742 62.072 61.300 0.050 0.000 1.269 234 I CB -0.833 37.221 38.000 0.090 0.000 1.013 234 I HN 0.422 nan 8.210 nan 0.000 0.512 235 G N 2.189 111.001 108.800 0.021 0.000 2.143 235 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.248 235 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.248 235 G C 0.415 175.296 174.900 -0.032 0.000 0.991 235 G CA 0.454 45.550 45.100 -0.007 0.000 0.689 235 G HN 0.783 nan 8.290 nan 0.000 0.522 236 T N -1.388 113.150 114.554 -0.027 0.000 3.427 236 T HA 0.609 4.959 4.350 -0.000 0.000 0.306 236 T C -1.977 172.638 174.700 -0.141 0.000 1.733 236 T CA -1.141 60.927 62.100 -0.052 0.000 1.599 236 T CB 1.934 70.812 68.868 0.017 0.000 0.964 236 T HN 0.184 nan 8.240 nan 0.000 0.701 237 P HA 0.185 nan 4.420 nan 0.000 0.235 237 P C -0.212 176.625 177.300 -0.772 0.000 1.765 237 P CA 0.113 62.628 63.100 -0.976 0.000 1.034 237 P CB -0.177 30.837 31.700 -1.143 0.000 1.984 238 S N 2.513 118.069 115.700 -0.241 0.000 2.437 238 S HA 0.340 4.810 4.470 -0.000 0.000 0.305 238 S C 1.345 176.105 174.600 0.266 0.000 1.109 238 S CA -0.702 57.505 58.200 0.012 0.000 1.099 238 S CB 0.566 63.785 63.200 0.031 0.000 1.004 238 S HN -0.041 nan 8.310 nan 0.000 0.475 239 M N 3.916 123.700 119.600 0.308 0.000 2.296 239 M HA 0.029 4.508 4.480 -0.000 0.000 0.265 239 M C 1.967 178.448 176.300 0.302 0.000 1.064 239 M CA 1.236 56.759 55.300 0.372 0.000 1.109 239 M CB -1.181 31.602 32.600 0.304 0.000 1.396 239 M HN 0.761 nan 8.290 nan 0.000 0.430 240 R N 0.124 120.751 120.500 0.211 0.000 2.066 240 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 240 R C 2.115 178.550 176.300 0.224 0.000 1.131 240 R CA 1.204 57.416 56.100 0.186 0.000 0.955 240 R CB 0.101 30.456 30.300 0.092 0.000 0.851 240 R HN 0.215 nan 8.270 nan 0.000 0.432 241 E N 0.444 120.750 120.200 0.176 0.000 2.107 241 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 241 E C 1.926 178.692 176.600 0.277 0.000 0.982 241 E CA 0.676 57.173 56.400 0.161 0.000 0.809 241 E CB -0.246 29.541 29.700 0.146 0.000 0.756 241 E HN 0.184 nan 8.360 nan 0.000 0.459 242 L N 0.550 121.982 121.223 0.349 0.000 2.013 242 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 242 L C 2.241 179.290 176.870 0.299 0.000 1.073 242 L CA 1.696 56.759 54.840 0.372 0.000 0.753 242 L CB -0.900 41.415 42.059 0.426 0.000 0.890 242 L HN 0.086 nan 8.230 nan 0.000 0.432 243 F N -0.714 119.338 119.950 0.169 0.000 2.171 243 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 243 F C 2.594 178.441 175.800 0.079 0.000 1.090 243 F CA 1.868 59.936 58.000 0.114 0.000 1.293 243 F CB -0.288 38.778 39.000 0.110 0.000 1.013 243 F HN 0.473 nan 8.300 nan 0.000 0.486 244 H N -1.260 117.815 119.070 0.009 0.000 2.299 244 H HA -0.206 4.349 4.556 -0.000 0.000 0.302 244 H C 2.077 177.250 175.328 -0.259 0.000 1.078 244 H CA 2.422 58.351 56.048 -0.198 0.000 1.323 244 H CB -1.038 28.560 29.762 -0.274 0.000 1.381 244 H HN 0.417 nan 8.280 nan 0.000 0.498 245 W N 0.576 121.620 121.300 -0.427 0.000 2.358 245 W HA -0.167 4.493 4.660 -0.000 0.000 0.303 245 W C 2.716 179.030 176.519 -0.341 0.000 1.208 245 W CA 1.792 58.859 57.345 -0.463 0.000 1.274 245 W CB -0.273 28.995 29.460 -0.321 0.000 1.138 245 W HN 0.423 nan 8.180 nan 0.000 0.515 246 T N -4.227 110.312 114.554 -0.025 0.000 3.055 246 T HA -0.051 4.299 4.350 -0.000 0.000 0.265 246 T C 1.314 175.854 174.700 -0.266 0.000 1.111 246 T CA 1.484 63.513 62.100 -0.119 0.000 1.118 246 T CB -0.375 68.456 68.868 -0.062 0.000 0.909 246 T HN 0.180 nan 8.240 nan 0.000 0.501 247 T N -2.316 111.986 114.554 -0.420 0.000 3.046 247 T HA 0.413 4.763 4.350 -0.000 0.000 0.270 247 T C 1.299 175.764 174.700 -0.393 0.000 0.920 247 T CA -0.411 61.407 62.100 -0.470 0.000 0.874 247 T CB 0.167 68.601 68.868 -0.723 0.000 1.214 247 T HN 0.229 nan 8.240 nan 0.000 0.536 248 I N 1.666 122.001 120.570 -0.392 0.000 3.443 248 I HA 0.489 4.659 4.170 -0.000 0.000 0.277 248 I C 1.652 177.615 176.117 -0.256 0.000 1.169 248 I CA 0.030 61.182 61.300 -0.246 0.000 1.419 248 I CB -1.213 36.744 38.000 -0.072 0.000 1.331 248 I HN 0.329 nan 8.210 nan 0.000 0.458 249 A N 2.478 124.988 122.820 -0.516 0.000 2.587 249 A HA 0.181 4.501 4.320 -0.000 0.000 0.233 249 A C 0.940 178.459 177.584 -0.108 0.000 1.049 249 A CA 0.485 52.296 52.037 -0.377 0.000 0.754 249 A CB -0.523 18.221 19.000 -0.426 0.000 0.977 249 A HN 0.544 nan 8.150 nan 0.000 0.509 250 T N 0.196 114.739 114.554 -0.019 0.000 2.903 250 T HA 0.173 4.523 4.350 -0.000 0.000 0.314 250 T C 0.876 175.644 174.700 0.113 0.000 1.078 250 T CA 0.252 62.384 62.100 0.052 0.000 1.114 250 T CB 0.058 68.961 68.868 0.059 0.000 0.987 250 T HN 0.455 nan 8.240 nan 0.000 0.548 251 F N 1.894 121.807 119.950 -0.061 0.000 2.063 251 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 251 F C 1.947 177.734 175.800 -0.022 0.000 1.105 251 F CA 2.513 60.474 58.000 -0.065 0.000 1.215 251 F CB -0.654 38.300 39.000 -0.077 0.000 0.972 251 F HN 0.683 nan 8.300 nan 0.000 0.483 252 D N -0.250 120.248 120.400 0.164 0.000 2.097 252 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 252 D C 1.996 178.339 176.300 0.072 0.000 0.989 252 D CA 1.569 55.623 54.000 0.090 0.000 0.827 252 D CB -0.700 40.156 40.800 0.094 0.000 0.966 252 D HN 0.271 nan 8.370 nan 0.000 0.456 253 D N 0.457 120.931 120.400 0.125 0.000 2.116 253 D HA -0.142 4.498 4.640 -0.000 0.000 0.193 253 D C 2.255 178.696 176.300 0.236 0.000 0.998 253 D CA 0.382 54.520 54.000 0.230 0.000 0.836 253 D CB -0.380 40.605 40.800 0.307 0.000 0.951 253 D HN 0.180 nan 8.370 nan 0.000 0.449 254 L N 0.811 122.133 121.223 0.165 0.000 1.989 254 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 254 L C 2.666 179.481 176.870 -0.090 0.000 1.071 254 L CA 1.369 56.240 54.840 0.052 0.000 0.749 254 L CB -0.079 41.926 42.059 -0.090 0.000 0.890 254 L HN -0.019 nan 8.230 nan 0.000 0.431 255 R N -0.393 120.028 120.500 -0.133 0.000 2.103 255 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 255 R C 2.102 178.343 176.300 -0.098 0.000 1.142 255 R CA 1.483 57.506 56.100 -0.128 0.000 0.960 255 R CB -0.971 29.267 30.300 -0.103 0.000 0.858 255 R HN 0.567 nan 8.270 nan 0.000 0.439 256 G N 0.672 109.441 108.800 -0.051 0.000 2.459 256 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 256 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 256 G C 1.239 176.068 174.900 -0.118 0.000 1.183 256 G CA 0.513 45.587 45.100 -0.044 0.000 0.776 256 G HN 0.302 nan 8.290 nan 0.000 0.552 257 F N 1.274 120.989 119.950 -0.393 0.000 2.250 257 F HA 0.042 4.569 4.527 -0.000 0.000 0.301 257 F C 2.294 177.832 175.800 -0.438 0.000 1.077 257 F CA 0.874 58.489 58.000 -0.642 0.000 1.348 257 F CB -0.122 37.979 39.000 -1.498 0.000 1.040 257 F HN 0.050 nan 8.300 nan 0.000 0.509 258 L N -0.172 120.784 121.223 -0.444 0.000 2.240 258 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 258 L C 0.770 177.440 176.870 -0.333 0.000 1.106 258 L CA 0.322 54.911 54.840 -0.417 0.000 0.793 258 L CB -0.694 41.243 42.059 -0.204 0.000 0.927 258 L HN -0.034 nan 8.230 nan 0.000 0.446 259 E N 0.492 120.541 120.200 -0.252 0.000 2.694 259 E HA 0.010 4.360 4.350 -0.000 0.000 0.250 259 E C 1.026 177.499 176.600 -0.212 0.000 0.963 259 E CA 0.690 56.980 56.400 -0.183 0.000 0.949 259 E CB 0.150 29.772 29.700 -0.131 0.000 0.911 259 E HN 0.407 nan 8.360 nan 0.000 0.500 260 G N 2.825 111.523 108.800 -0.170 0.000 2.238 260 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 260 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 260 G C 0.461 175.256 174.900 -0.176 0.000 0.996 260 G CA 0.120 45.123 45.100 -0.162 0.000 0.632 260 G HN 0.678 nan 8.290 nan 0.000 0.503 261 T N -0.863 113.564 114.554 -0.211 0.000 2.936 261 T HA 0.703 5.053 4.350 -0.000 0.000 0.282 261 T C 1.658 176.268 174.700 -0.150 0.000 1.003 261 T CA -0.195 61.785 62.100 -0.201 0.000 1.005 261 T CB 1.632 70.344 68.868 -0.260 0.000 1.097 261 T HN 0.255 nan 8.240 nan 0.000 0.532 262 L N 0.513 121.657 121.223 -0.131 0.000 2.261 262 L HA 0.012 4.352 4.340 -0.000 0.000 0.216 262 L C 2.805 179.597 176.870 -0.131 0.000 1.114 262 L CA 1.280 56.053 54.840 -0.112 0.000 0.777 262 L CB -0.733 41.270 42.059 -0.093 0.000 0.910 262 L HN 0.919 nan 8.230 nan 0.000 0.440 263 A N -0.735 122.006 122.820 -0.131 0.000 2.238 263 A HA -0.097 4.223 4.320 -0.000 0.000 0.208 263 A C 2.110 179.639 177.584 -0.091 0.000 1.177 263 A CA 0.418 52.378 52.037 -0.128 0.000 0.804 263 A CB -0.308 18.696 19.000 0.008 0.000 0.823 263 A HN 0.444 nan 8.150 nan 0.000 0.482 264 E N 0.214 120.348 120.200 -0.110 0.000 2.021 264 E HA -0.192 4.157 4.350 -0.000 0.000 0.200 264 E C 1.812 178.369 176.600 -0.071 0.000 1.015 264 E CA 1.886 58.229 56.400 -0.095 0.000 0.824 264 E CB -0.086 29.552 29.700 -0.104 0.000 0.762 264 E HN 0.523 nan 8.360 nan 0.000 0.454 265 S N 0.102 115.751 115.700 -0.085 0.000 2.439 265 S HA 0.073 4.543 4.470 -0.000 0.000 0.224 265 S C 1.941 176.481 174.600 -0.100 0.000 1.029 265 S CA 0.063 58.220 58.200 -0.072 0.000 0.946 265 S CB -0.035 63.126 63.200 -0.065 0.000 0.797 265 S HN 0.239 nan 8.310 nan 0.000 0.504 266 L N 0.135 121.249 121.223 -0.182 0.000 2.089 266 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 266 L C 1.006 177.677 176.870 -0.333 0.000 1.079 266 L CA 1.484 56.141 54.840 -0.306 0.000 0.758 266 L CB -0.470 41.298 42.059 -0.486 0.000 0.891 266 L HN 0.323 nan 8.230 nan 0.000 0.433 267 F N -0.246 119.644 119.950 -0.100 0.000 2.798 267 F HA 0.431 4.958 4.527 -0.000 0.000 0.291 267 F C 0.604 176.344 175.800 -0.100 0.000 1.174 267 F CA -0.541 57.383 58.000 -0.127 0.000 1.392 267 F CB 0.182 39.076 39.000 -0.176 0.000 0.966 267 F HN -0.017 nan 8.300 nan 0.000 0.509 268 A N -0.922 121.938 122.820 0.068 0.000 2.612 268 A HA 0.664 4.984 4.320 -0.000 0.000 0.293 268 A C 0.513 178.111 177.584 0.023 0.000 1.075 268 A CA -0.018 52.048 52.037 0.049 0.000 0.680 268 A CB 0.999 20.016 19.000 0.028 0.000 1.279 268 A HN 0.455 nan 8.150 nan 0.000 0.411 269 G N -0.648 108.169 108.800 0.028 0.000 2.211 269 G HA2 0.302 4.262 3.960 -0.000 0.000 0.201 269 G HA3 0.302 4.262 3.960 -0.000 0.000 0.201 269 G C 0.322 175.234 174.900 0.021 0.000 0.997 269 G CA 0.770 45.881 45.100 0.017 0.000 0.652 269 G HN 2.712 nan 8.290 nan 0.000 0.500 270 S N -1.567 114.152 115.700 0.032 0.000 2.615 270 S HA 0.555 5.025 4.470 -0.000 0.000 0.268 270 S C 0.526 175.151 174.600 0.043 0.000 1.146 270 S CA 0.179 58.398 58.200 0.031 0.000 0.818 270 S CB 0.682 63.897 63.200 0.025 0.000 1.111 270 S HN -0.006 nan 8.310 nan 0.000 0.465 271 N N 0.970 119.692 118.700 0.037 0.000 2.120 271 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 271 N C 1.498 177.039 175.510 0.050 0.000 1.024 271 N CA 1.781 54.855 53.050 0.040 0.000 0.852 271 N CB -0.625 37.880 38.487 0.030 0.000 1.003 271 N HN 0.793 nan 8.380 nan 0.000 0.424 272 E N 1.472 121.700 120.200 0.047 0.000 2.070 272 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 272 E C 1.823 178.445 176.600 0.038 0.000 1.004 272 E CA 1.624 58.055 56.400 0.051 0.000 0.805 272 E CB -0.470 29.261 29.700 0.051 0.000 0.744 272 E HN 0.316 nan 8.360 nan 0.000 0.451 273 A N -0.162 122.682 122.820 0.040 0.000 1.892 273 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 273 A C 2.492 180.147 177.584 0.118 0.000 1.188 273 A CA 2.294 54.364 52.037 0.056 0.000 0.631 273 A CB -0.964 18.069 19.000 0.055 0.000 0.822 273 A HN 0.319 nan 8.150 nan 0.000 0.447 274 S N -0.705 115.072 115.700 0.129 0.000 2.368 274 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 274 S C 2.009 176.714 174.600 0.174 0.000 1.030 274 S CA 1.552 59.881 58.200 0.216 0.000 0.999 274 S CB -0.248 63.068 63.200 0.192 0.000 0.844 274 S HN 0.676 nan 8.310 nan 0.000 0.459 275 K N 1.475 121.929 120.400 0.090 0.000 2.026 275 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 275 K C 2.259 178.888 176.600 0.048 0.000 1.048 275 K CA 1.235 57.565 56.287 0.072 0.000 0.929 275 K CB -0.387 32.161 32.500 0.080 0.000 0.713 275 K HN 0.287 nan 8.250 nan 0.000 0.439 276 A N 1.891 124.686 122.820 -0.042 0.000 1.908 276 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 276 A C 2.170 179.666 177.584 -0.147 0.000 1.181 276 A CA 1.426 53.277 52.037 -0.310 0.000 0.627 276 A CB -0.731 17.852 19.000 -0.696 0.000 0.818 276 A HN 0.442 nan 8.150 nan 0.000 0.445 277 L N -0.598 120.531 121.223 -0.157 0.000 2.046 277 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 277 L C 2.622 179.347 176.870 -0.241 0.000 1.077 277 L CA 2.232 56.716 54.840 -0.594 0.000 0.747 277 L CB -0.696 40.981 42.059 -0.637 0.000 0.896 277 L HN 0.421 nan 8.230 nan 0.000 0.432 278 T N -0.787 113.798 114.554 0.051 0.000 2.788 278 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 278 T C 2.029 176.723 174.700 -0.009 0.000 1.044 278 T CA 1.573 63.692 62.100 0.031 0.000 1.139 278 T CB -0.062 68.831 68.868 0.041 0.000 0.867 278 T HN 0.370 nan 8.240 nan 0.000 0.454 279 S N 1.440 117.168 115.700 0.046 0.000 2.356 279 S HA -0.050 4.419 4.470 -0.000 0.000 0.223 279 S C 2.625 177.296 174.600 0.118 0.000 1.032 279 S CA 0.987 59.224 58.200 0.061 0.000 1.005 279 S CB -0.666 62.645 63.200 0.185 0.000 0.867 279 S HN 0.599 nan 8.310 nan 0.000 0.449 280 A N 2.585 125.464 122.820 0.098 0.000 1.892 280 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 280 A C 2.184 179.753 177.584 -0.024 0.000 1.188 280 A CA 1.423 53.502 52.037 0.069 0.000 0.631 280 A CB -0.557 18.404 19.000 -0.064 0.000 0.822 280 A HN 0.319 nan 8.150 nan 0.000 0.447 281 R N -1.329 119.083 120.500 -0.147 0.000 2.094 281 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 281 R C 2.010 178.220 176.300 -0.150 0.000 1.137 281 R CA 1.793 57.763 56.100 -0.217 0.000 0.943 281 R CB -1.098 28.995 30.300 -0.344 0.000 0.850 281 R HN 0.651 nan 8.270 nan 0.000 0.433 282 F N 0.706 120.611 119.950 -0.074 0.000 2.069 282 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 282 F C 2.710 178.494 175.800 -0.027 0.000 1.113 282 F CA 1.174 59.130 58.000 -0.074 0.000 1.214 282 F CB -0.564 38.348 39.000 -0.148 0.000 0.978 282 F HN -0.209 nan 8.300 nan 0.000 0.474 283 V N 0.017 120.047 119.914 0.194 0.000 2.231 283 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 283 V C 2.257 178.425 176.094 0.123 0.000 1.054 283 V CA 1.641 64.036 62.300 0.158 0.000 1.015 283 V CB -0.737 31.191 31.823 0.174 0.000 0.638 283 V HN 0.210 nan 8.190 nan 0.000 0.444 284 L N 0.999 122.274 121.223 0.087 0.000 2.127 284 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 284 L C 2.711 179.661 176.870 0.132 0.000 1.089 284 L CA 2.359 57.246 54.840 0.078 0.000 0.757 284 L CB -1.402 40.672 42.059 0.026 0.000 0.899 284 L HN 0.620 nan 8.230 nan 0.000 0.434 285 S N -1.886 113.877 115.700 0.106 0.000 2.447 285 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 285 S C 1.580 176.316 174.600 0.227 0.000 1.006 285 S CA 1.065 59.369 58.200 0.172 0.000 0.957 285 S CB -0.195 63.060 63.200 0.092 0.000 0.773 285 S HN 0.426 nan 8.310 nan 0.000 0.507 286 D N 1.118 121.624 120.400 0.175 0.000 2.201 286 D HA 0.099 4.739 4.640 -0.000 0.000 0.209 286 D C 1.964 178.342 176.300 0.130 0.000 0.961 286 D CA 0.762 54.847 54.000 0.141 0.000 0.861 286 D CB 0.040 40.907 40.800 0.113 0.000 0.997 286 D HN 0.305 nan 8.370 nan 0.000 0.486 287 K N 0.818 121.302 120.400 0.139 0.000 2.044 287 K HA 0.104 4.424 4.320 -0.000 0.000 0.204 287 K C 2.455 179.196 176.600 0.235 0.000 1.045 287 K CA 0.118 56.491 56.287 0.144 0.000 0.951 287 K CB -0.751 31.813 32.500 0.106 0.000 0.738 287 K HN 0.165 nan 8.250 nan 0.000 0.443 288 L N 1.252 122.623 121.223 0.246 0.000 2.013 288 L HA -0.189 4.150 4.340 -0.000 0.000 0.212 288 L C -0.623 176.379 176.870 0.219 0.000 1.073 288 L CA 1.499 56.519 54.840 0.301 0.000 0.753 288 L CB -1.895 40.398 42.059 0.390 0.000 0.890 288 L HN 0.080 nan 8.230 nan 0.000 0.432 289 P HA -0.276 nan 4.420 nan 0.000 0.221 289 P C 1.308 178.567 177.300 -0.067 0.000 1.107 289 P CA 1.750 64.788 63.100 -0.103 0.000 0.986 289 P CB -0.041 31.662 31.700 0.004 0.000 0.774 290 E N -2.164 118.025 120.200 -0.019 0.000 2.265 290 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 290 E C 2.043 178.609 176.600 -0.056 0.000 0.996 290 E CA 1.004 57.375 56.400 -0.047 0.000 0.832 290 E CB -0.808 28.829 29.700 -0.105 0.000 0.756 290 E HN 0.524 nan 8.360 nan 0.000 0.491 291 H N -0.191 118.894 119.070 0.025 0.000 2.357 291 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 291 H C 2.251 177.642 175.328 0.105 0.000 1.082 291 H CA 1.155 57.272 56.048 0.115 0.000 1.342 291 H CB 0.086 29.928 29.762 0.132 0.000 1.389 291 H HN 0.003 nan 8.280 nan 0.000 0.511 292 V N 0.967 120.962 119.914 0.136 0.000 2.270 292 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 292 V C 2.586 178.686 176.094 0.010 0.000 1.043 292 V CA 2.225 64.547 62.300 0.035 0.000 1.014 292 V CB -0.852 30.857 31.823 -0.190 0.000 0.645 292 V HN 0.576 nan 8.190 nan 0.000 0.447 293 T N -2.677 111.856 114.554 -0.035 0.000 3.227 293 T HA 0.042 4.392 4.350 -0.000 0.000 0.257 293 T C 0.712 175.383 174.700 -0.048 0.000 1.162 293 T CA 0.256 62.325 62.100 -0.051 0.000 1.051 293 T CB -0.329 68.499 68.868 -0.067 0.000 0.953 293 T HN 0.121 nan 8.240 nan 0.000 0.535 294 M N 2.675 122.300 119.600 0.042 0.000 2.185 294 M HA 0.337 4.817 4.480 -0.000 0.000 0.357 294 M C -2.449 173.915 176.300 0.107 0.000 1.260 294 M CA -2.413 52.951 55.300 0.107 0.000 1.124 294 M CB 0.863 33.635 32.600 0.287 0.000 1.600 294 M HN -0.046 nan 8.290 nan 0.000 0.467 295 P HA -0.034 nan 4.420 nan 0.000 0.262 295 P C -0.630 176.738 177.300 0.113 0.000 1.182 295 P CA 0.254 63.391 63.100 0.063 0.000 0.761 295 P CB 0.352 32.075 31.700 0.038 0.000 0.795 296 D N 1.538 121.989 120.400 0.086 0.000 2.372 296 D HA 0.466 5.106 4.640 -0.000 0.000 0.243 296 D C 0.616 176.974 176.300 0.097 0.000 1.121 296 D CA 0.785 54.842 54.000 0.094 0.000 0.898 296 D CB 1.085 41.919 40.800 0.057 0.000 1.202 296 D HN 0.469 nan 8.370 nan 0.000 0.428 297 G N 0.525 109.392 108.800 0.113 0.000 2.495 297 G HA2 0.207 4.167 3.960 -0.000 0.000 0.294 297 G HA3 0.207 4.167 3.960 -0.000 0.000 0.294 297 G C -0.783 174.191 174.900 0.123 0.000 1.397 297 G CA -0.562 44.612 45.100 0.123 0.000 0.790 297 G HN 0.417 nan 8.290 nan 0.000 0.486 298 D N -1.054 119.426 120.400 0.135 0.000 2.424 298 D HA 0.193 4.832 4.640 -0.000 0.000 0.220 298 D C 0.256 176.650 176.300 0.157 0.000 1.150 298 D CA -0.691 53.370 54.000 0.100 0.000 0.831 298 D CB -0.046 40.788 40.800 0.056 0.000 0.981 298 D HN 0.190 nan 8.370 nan 0.000 0.500 299 F N 1.866 121.891 119.950 0.125 0.000 2.572 299 F HA 0.295 4.822 4.527 -0.000 0.000 0.370 299 F C 0.179 176.133 175.800 0.257 0.000 1.103 299 F CA 0.121 58.221 58.000 0.166 0.000 1.286 299 F CB 0.983 40.071 39.000 0.147 0.000 1.105 299 F HN -0.090 nan 8.300 nan 0.000 0.583 300 S N 6.965 122.250 115.700 -0.690 0.000 2.707 300 S HA 0.380 4.850 4.470 -0.000 0.000 0.303 300 S C 0.861 175.133 174.600 -0.548 0.000 1.132 300 S CA -0.856 57.133 58.200 -0.352 0.000 1.046 300 S CB 0.516 63.611 63.200 -0.175 0.000 1.004 300 S HN 0.730 nan 8.310 nan 0.000 0.483 301 I N 4.407 124.874 120.570 -0.170 0.000 2.335 301 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 301 I C 2.597 178.815 176.117 0.168 0.000 1.129 301 I CA 1.072 62.402 61.300 0.050 0.000 1.402 301 I CB -0.179 37.920 38.000 0.165 0.000 1.069 301 I HN 0.647 nan 8.210 nan 0.000 0.424 302 R N 0.378 120.925 120.500 0.079 0.000 2.062 302 R HA -0.099 4.240 4.340 -0.000 0.000 0.231 302 R C 2.552 178.881 176.300 0.047 0.000 1.136 302 R CA 1.761 57.912 56.100 0.085 0.000 0.948 302 R CB -0.490 29.834 30.300 0.041 0.000 0.845 302 R HN 0.245 nan 8.270 nan 0.000 0.430 303 S N 0.466 116.155 115.700 -0.019 0.000 2.370 303 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 303 S C 1.400 176.003 174.600 0.005 0.000 1.033 303 S CA 1.366 59.549 58.200 -0.030 0.000 1.011 303 S CB -0.416 62.742 63.200 -0.070 0.000 0.852 303 S HN 0.479 nan 8.310 nan 0.000 0.457 304 W N 2.449 123.638 121.300 -0.184 0.000 2.321 304 W HA -0.122 4.538 4.660 -0.000 0.000 0.306 304 W C 1.616 178.138 176.519 0.005 0.000 1.217 304 W CA 1.172 58.471 57.345 -0.076 0.000 1.257 304 W CB -0.515 28.910 29.460 -0.059 0.000 1.145 304 W HN 0.204 nan 8.180 nan 0.000 0.509 305 L N 0.292 121.486 121.223 -0.049 0.000 2.131 305 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 305 L C 2.259 178.993 176.870 -0.226 0.000 1.092 305 L CA 1.680 56.376 54.840 -0.239 0.000 0.759 305 L CB -0.774 41.297 42.059 0.020 0.000 0.903 305 L HN 0.062 nan 8.230 nan 0.000 0.435 306 E N -0.788 119.336 120.200 -0.128 0.000 2.216 306 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 306 E C 0.495 177.023 176.600 -0.120 0.000 0.988 306 E CA 0.156 56.497 56.400 -0.098 0.000 0.834 306 E CB 0.054 29.726 29.700 -0.048 0.000 0.772 306 E HN 0.231 nan 8.360 nan 0.000 0.479 307 D N 1.038 121.345 120.400 -0.155 0.000 2.374 307 D HA 0.027 4.667 4.640 -0.000 0.000 0.240 307 D C -1.854 174.338 176.300 -0.181 0.000 1.229 307 D CA -2.339 51.583 54.000 -0.129 0.000 0.895 307 D CB 1.171 41.921 40.800 -0.082 0.000 1.046 307 D HN -0.161 nan 8.370 nan 0.000 0.498 308 P HA -0.105 nan 4.420 nan 0.000 0.215 308 P C 0.780 178.027 177.300 -0.088 0.000 1.153 308 P CA 0.851 63.882 63.100 -0.114 0.000 0.853 308 P CB 0.258 31.916 31.700 -0.069 0.000 0.788 309 N N -0.555 118.115 118.700 -0.050 0.000 2.521 309 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 309 N C 1.216 176.732 175.510 0.010 0.000 1.146 309 N CA 0.542 53.586 53.050 -0.010 0.000 0.893 309 N CB -0.372 38.118 38.487 0.006 0.000 0.975 309 N HN 0.154 nan 8.380 nan 0.000 0.451 310 G N -0.442 108.338 108.800 -0.033 0.000 2.636 310 G HA2 0.413 4.373 3.960 -0.000 0.000 0.246 310 G HA3 0.413 4.373 3.960 -0.000 0.000 0.246 310 G C 0.628 175.576 174.900 0.080 0.000 1.216 310 G CA -0.074 45.049 45.100 0.039 0.000 0.854 310 G HN 0.170 nan 8.290 nan 0.000 0.572 311 G N -0.324 108.640 108.800 0.273 0.000 3.075 311 G HA2 0.389 4.348 3.960 -0.000 0.000 0.156 311 G HA3 0.389 4.348 3.960 -0.000 0.000 0.156 311 G C -0.071 175.107 174.900 0.464 0.000 1.403 311 G CA -0.740 44.531 45.100 0.285 0.000 1.033 311 G HN 0.597 nan 8.290 nan 0.000 0.589 312 N N 0.050 119.029 118.700 0.466 0.000 2.492 312 N HA 0.309 5.049 4.740 -0.000 0.000 0.289 312 N C -1.023 174.721 175.510 0.390 0.000 1.133 312 N CA -0.410 52.934 53.050 0.490 0.000 0.961 312 N CB 2.403 41.050 38.487 0.266 0.000 1.186 312 N HN 0.219 nan 8.380 nan 0.000 0.493 313 L N 1.961 123.265 121.223 0.135 0.000 2.272 313 L HA 0.431 4.771 4.340 -0.000 0.000 0.289 313 L C -1.190 175.526 176.870 -0.257 0.000 1.032 313 L CA -0.605 54.071 54.840 -0.274 0.000 0.810 313 L CB 0.173 41.748 42.059 -0.807 0.000 1.205 313 L HN 0.365 nan 8.230 nan 0.000 0.422 314 F N 5.652 125.519 119.950 -0.139 0.000 2.402 314 F HA 0.417 4.944 4.527 -0.000 0.000 0.355 314 F C 0.288 176.033 175.800 -0.091 0.000 1.123 314 F CA -0.427 57.537 58.000 -0.060 0.000 1.021 314 F CB 1.290 40.267 39.000 -0.039 0.000 1.160 314 F HN 0.234 nan 8.300 nan 0.000 0.451 315 I N 4.081 124.724 120.570 0.123 0.000 2.287 315 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 315 I C 0.204 176.551 176.117 0.383 0.000 1.069 315 I CA -0.237 61.168 61.300 0.175 0.000 1.237 315 I CB 0.616 38.751 38.000 0.225 0.000 1.418 315 I HN 0.597 nan 8.210 nan 0.000 0.481 316 T N 2.188 116.950 114.554 0.347 0.000 2.940 316 T HA 0.791 5.141 4.350 -0.000 0.000 0.288 316 T C -1.003 174.000 174.700 0.505 0.000 1.045 316 T CA -0.683 61.599 62.100 0.302 0.000 1.018 316 T CB 2.148 71.093 68.868 0.130 0.000 1.151 316 T HN 0.673 nan 8.240 nan 0.000 0.529 317 W N -0.706 120.636 121.300 0.069 0.000 3.319 317 W HA 0.598 5.258 4.660 0.000 0.000 0.300 317 W C -1.776 174.678 176.519 -0.107 0.000 1.244 317 W CA -1.194 56.160 57.345 0.014 0.000 1.193 317 W CB 0.845 30.333 29.460 0.047 0.000 1.359 317 W HN 0.762 nan 8.180 nan 0.000 0.568 318 R N 2.357 122.775 120.500 -0.136 0.000 2.308 318 R HA 0.149 4.489 4.340 -0.000 0.000 0.305 318 R C 1.006 177.268 176.300 -0.063 0.000 1.053 318 R CA -0.419 55.507 56.100 -0.290 0.000 0.957 318 R CB 1.405 31.445 30.300 -0.433 0.000 1.022 318 R HN 0.763 nan 8.270 nan 0.000 0.461 319 E N 1.625 121.744 120.200 -0.135 0.000 2.136 319 E HA -0.298 4.052 4.350 -0.000 0.000 0.202 319 E C 1.188 177.830 176.600 0.069 0.000 1.019 319 E CA 2.082 58.499 56.400 0.030 0.000 0.819 319 E CB 0.047 29.724 29.700 -0.039 0.000 0.739 319 E HN 0.658 nan 8.360 nan 0.000 0.458 320 D N -0.164 120.229 120.400 -0.012 0.000 2.351 320 D HA -0.181 4.459 4.640 -0.000 0.000 0.216 320 D C 1.443 177.733 176.300 -0.015 0.000 0.968 320 D CA 1.034 55.022 54.000 -0.019 0.000 0.899 320 D CB -0.142 40.626 40.800 -0.053 0.000 0.907 320 D HN 0.269 nan 8.370 nan 0.000 0.514 321 M N -0.313 119.292 119.600 0.007 0.000 2.356 321 M HA 0.297 4.777 4.480 -0.000 0.000 0.262 321 M C 1.843 178.158 176.300 0.025 0.000 1.097 321 M CA 0.067 55.353 55.300 -0.024 0.000 0.991 321 M CB 1.188 33.715 32.600 -0.122 0.000 1.450 321 M HN 0.076 nan 8.290 nan 0.000 0.495 322 G N 2.952 111.824 108.800 0.120 0.000 2.586 322 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 322 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 322 G C -0.658 174.183 174.900 -0.100 0.000 1.216 322 G CA 0.913 46.033 45.100 0.034 0.000 0.786 322 G HN 0.314 nan 8.290 nan 0.000 0.583 323 P HA -0.091 nan 4.420 nan 0.000 0.218 323 P C 1.945 179.203 177.300 -0.070 0.000 1.148 323 P CA 2.075 65.142 63.100 -0.055 0.000 0.822 323 P CB -0.197 31.489 31.700 -0.024 0.000 0.784 324 A N 0.003 122.784 122.820 -0.065 0.000 1.930 324 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 324 A C 2.239 179.771 177.584 -0.085 0.000 1.175 324 A CA 1.083 53.086 52.037 -0.056 0.000 0.627 324 A CB -1.328 17.644 19.000 -0.047 0.000 0.815 324 A HN 0.170 nan 8.150 nan 0.000 0.443 325 L N -1.100 120.040 121.223 -0.138 0.000 2.611 325 L HA 0.145 4.485 4.340 -0.000 0.000 0.229 325 L C 2.221 178.905 176.870 -0.310 0.000 1.137 325 L CA -0.006 54.712 54.840 -0.205 0.000 0.901 325 L CB -0.244 41.703 42.059 -0.185 0.000 1.098 325 L HN 0.428 nan 8.230 nan 0.000 0.456 326 R N 1.720 122.066 120.500 -0.256 0.000 2.094 326 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 326 R C -0.451 175.721 176.300 -0.214 0.000 1.137 326 R CA 1.966 57.917 56.100 -0.247 0.000 0.943 326 R CB -0.929 29.277 30.300 -0.156 0.000 0.850 326 R HN 0.202 nan 8.270 nan 0.000 0.433 327 P HA -0.165 nan 4.420 nan 0.000 0.223 327 P C 1.417 178.589 177.300 -0.213 0.000 1.151 327 P CA 1.158 64.184 63.100 -0.124 0.000 0.787 327 P CB -0.041 31.632 31.700 -0.045 0.000 0.788 328 L N -0.674 120.310 121.223 -0.397 0.000 2.068 328 L HA -0.013 4.327 4.340 -0.000 0.000 0.204 328 L C 2.596 178.972 176.870 -0.824 0.000 1.076 328 L CA 1.060 55.442 54.840 -0.763 0.000 0.753 328 L CB -0.462 41.062 42.059 -0.892 0.000 0.910 328 L HN -0.179 nan 8.230 nan 0.000 0.439 329 I N -0.720 119.524 120.570 -0.543 0.000 2.286 329 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 329 I C 2.459 178.489 176.117 -0.146 0.000 1.115 329 I CA 1.046 62.176 61.300 -0.282 0.000 1.392 329 I CB -0.217 37.574 38.000 -0.348 0.000 1.065 329 I HN 0.185 nan 8.210 nan 0.000 0.418 330 S N 0.698 116.297 115.700 -0.168 0.000 2.419 330 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 330 S C 2.187 176.781 174.600 -0.010 0.000 1.016 330 S CA 1.202 59.365 58.200 -0.061 0.000 0.974 330 S CB -0.203 62.958 63.200 -0.066 0.000 0.786 330 S HN 0.548 nan 8.310 nan 0.000 0.492 331 A N 1.021 123.798 122.820 -0.071 0.000 1.872 331 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 331 A C 1.838 179.488 177.584 0.110 0.000 1.187 331 A CA 0.840 52.895 52.037 0.031 0.000 0.614 331 A CB -0.761 18.277 19.000 0.063 0.000 0.826 331 A HN 0.588 nan 8.150 nan 0.000 0.442 332 W N 0.302 121.573 121.300 -0.048 0.000 2.355 332 W HA -0.114 4.546 4.660 0.000 0.000 0.309 332 W C 2.326 178.836 176.519 -0.016 0.000 1.206 332 W CA 1.230 58.496 57.345 -0.132 0.000 1.284 332 W CB -1.321 27.989 29.460 -0.249 0.000 1.145 332 W HN 0.182 nan 8.180 nan 0.000 0.502 333 V N 0.362 120.420 119.914 0.240 0.000 2.343 333 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 333 V C 1.831 178.029 176.094 0.172 0.000 1.051 333 V CA 2.435 64.844 62.300 0.182 0.000 1.036 333 V CB -1.114 30.797 31.823 0.146 0.000 0.654 333 V HN 0.038 nan 8.190 nan 0.000 0.451 334 D N -0.269 120.231 120.400 0.167 0.000 2.144 334 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 334 D C 2.018 178.445 176.300 0.211 0.000 0.978 334 D CA 1.113 55.209 54.000 0.160 0.000 0.833 334 D CB 0.022 40.903 40.800 0.136 0.000 0.961 334 D HN 0.194 nan 8.370 nan 0.000 0.470 335 V N -0.111 119.982 119.914 0.298 0.000 2.287 335 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 335 V C 2.533 178.829 176.094 0.335 0.000 1.053 335 V CA 1.333 63.888 62.300 0.426 0.000 1.027 335 V CB -0.421 31.683 31.823 0.468 0.000 0.646 335 V HN 0.188 nan 8.190 nan 0.000 0.447 336 V N -1.025 119.043 119.914 0.257 0.000 2.332 336 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 336 V C 2.519 178.722 176.094 0.181 0.000 1.055 336 V CA 2.265 64.700 62.300 0.225 0.000 1.038 336 V CB -0.800 31.143 31.823 0.201 0.000 0.651 336 V HN 0.659 nan 8.190 nan 0.000 0.450 337 C N -0.021 119.370 119.300 0.152 0.000 2.429 337 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 337 C C 2.953 177.994 174.990 0.086 0.000 1.262 337 C CA 1.763 60.840 59.018 0.098 0.000 1.733 337 C CB -1.257 26.530 27.740 0.079 0.000 2.010 337 C HN 0.677 nan 8.230 nan 0.000 0.483 338 T N 0.204 114.818 114.554 0.100 0.000 2.851 338 T HA -0.090 4.260 4.350 -0.000 0.000 0.262 338 T C 1.962 176.727 174.700 0.108 0.000 1.043 338 T CA 1.525 63.660 62.100 0.059 0.000 1.140 338 T CB -0.387 68.457 68.868 -0.040 0.000 0.872 338 T HN 0.492 nan 8.240 nan 0.000 0.446 339 S N 2.268 118.084 115.700 0.194 0.000 2.374 339 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 339 S C 2.172 176.858 174.600 0.144 0.000 1.037 339 S CA 1.574 59.906 58.200 0.220 0.000 1.024 339 S CB -0.634 62.735 63.200 0.282 0.000 0.861 339 S HN 0.735 nan 8.310 nan 0.000 0.456 340 I N -0.474 120.167 120.570 0.119 0.000 2.567 340 I HA -0.056 4.114 4.170 -0.000 0.000 0.257 340 I C 1.569 177.718 176.117 0.053 0.000 1.184 340 I CA 1.177 62.522 61.300 0.075 0.000 1.451 340 I CB -0.497 37.538 38.000 0.059 0.000 1.089 340 I HN 0.062 nan 8.210 nan 0.000 0.441 341 L N 0.383 121.641 121.223 0.059 0.000 2.551 341 L HA 0.022 4.362 4.340 -0.000 0.000 0.228 341 L C 2.085 178.987 176.870 0.053 0.000 1.153 341 L CA 1.245 56.110 54.840 0.043 0.000 0.851 341 L CB -0.830 41.252 42.059 0.038 0.000 0.959 341 L HN 0.305 nan 8.230 nan 0.000 0.451 342 S N -1.714 114.030 115.700 0.074 0.000 2.505 342 S HA 0.286 4.756 4.470 -0.000 0.000 0.216 342 S C 0.751 175.384 174.600 0.055 0.000 1.018 342 S CA -0.460 57.789 58.200 0.082 0.000 0.911 342 S CB 0.247 63.522 63.200 0.125 0.000 0.818 342 S HN 0.130 nan 8.310 nan 0.000 0.497 343 L N 3.972 125.220 121.223 0.042 0.000 2.514 343 L HA 0.131 4.471 4.340 -0.000 0.000 0.280 343 L C -1.777 175.097 176.870 0.007 0.000 1.223 343 L CA -1.090 53.761 54.840 0.018 0.000 0.864 343 L CB -0.243 41.818 42.059 0.003 0.000 1.118 343 L HN 0.108 nan 8.230 nan 0.000 0.494 344 P HA 0.085 nan 4.420 nan 0.000 0.274 344 P C -1.127 176.165 177.300 -0.014 0.000 1.246 344 P CA -0.625 62.473 63.100 -0.004 0.000 0.795 344 P CB 0.574 32.271 31.700 -0.006 0.000 1.006 345 E N 0.395 120.586 120.200 -0.015 0.000 2.259 345 E HA 0.317 4.667 4.350 -0.000 0.000 0.281 345 E C -0.652 175.932 176.600 -0.026 0.000 1.027 345 E CA -0.616 55.771 56.400 -0.022 0.000 0.838 345 E CB 0.730 30.416 29.700 -0.024 0.000 1.066 345 E HN 0.195 nan 8.360 nan 0.000 0.401 346 E N 4.692 124.872 120.200 -0.032 0.000 2.373 346 E HA 0.285 4.635 4.350 -0.000 0.000 0.251 346 E C -2.385 174.190 176.600 -0.042 0.000 0.923 346 E CA -2.694 53.684 56.400 -0.036 0.000 0.798 346 E CB 1.624 31.301 29.700 -0.039 0.000 1.303 346 E HN 0.336 nan 8.360 nan 0.000 0.412 347 P HA -0.108 nan 4.420 nan 0.000 0.216 347 P C 0.473 177.744 177.300 -0.049 0.000 1.150 347 P CA 0.959 64.031 63.100 -0.045 0.000 0.837 347 P CB 0.381 32.058 31.700 -0.038 0.000 0.786 348 K N -1.024 119.350 120.400 -0.043 0.000 2.439 348 K HA -0.021 4.299 4.320 -0.000 0.000 0.197 348 K C 1.011 177.583 176.600 -0.048 0.000 1.041 348 K CA 0.191 56.454 56.287 -0.041 0.000 0.970 348 K CB -0.372 32.109 32.500 -0.032 0.000 0.773 348 K HN 0.056 nan 8.250 nan 0.000 0.479 349 R N 1.225 121.690 120.500 -0.058 0.000 2.590 349 R HA 0.136 4.476 4.340 -0.000 0.000 0.274 349 R C -0.686 175.562 176.300 -0.088 0.000 1.061 349 R CA 0.220 56.280 56.100 -0.068 0.000 1.081 349 R CB 0.437 30.693 30.300 -0.072 0.000 0.984 349 R HN -0.028 nan 8.270 nan 0.000 0.448 350 R N 4.848 125.298 120.500 -0.084 0.000 2.539 350 R HA 0.319 4.659 4.340 -0.000 0.000 0.295 350 R C -1.308 174.931 176.300 -0.102 0.000 1.138 350 R CA -0.585 55.437 56.100 -0.130 0.000 0.936 350 R CB 1.451 31.714 30.300 -0.062 0.000 1.182 350 R HN 0.453 nan 8.270 nan 0.000 0.459 351 L N 3.769 124.886 121.223 -0.177 0.000 2.343 351 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 351 L C -1.284 175.511 176.870 -0.125 0.000 0.996 351 L CA -0.729 54.076 54.840 -0.058 0.000 0.831 351 L CB 1.208 43.252 42.059 -0.026 0.000 1.232 351 L HN 0.577 nan 8.230 nan 0.000 0.413 352 W N 5.376 126.695 121.300 0.032 0.000 2.438 352 W HA 0.485 5.145 4.660 -0.000 0.000 0.324 352 W C -0.312 176.188 176.519 -0.032 0.000 1.119 352 W CA -0.334 56.976 57.345 -0.059 0.000 1.221 352 W CB 1.236 30.660 29.460 -0.060 0.000 1.253 352 W HN 0.231 nan 8.180 nan 0.000 0.555 353 L N 4.142 125.419 121.223 0.090 0.000 2.353 353 L HA 0.429 4.769 4.340 -0.000 0.000 0.270 353 L C -1.509 175.377 176.870 0.027 0.000 1.003 353 L CA -0.784 54.121 54.840 0.108 0.000 0.862 353 L CB 0.202 42.310 42.059 0.083 0.000 1.221 353 L HN 0.301 nan 8.230 nan 0.000 0.430 354 F N 5.387 125.460 119.950 0.205 0.000 2.404 354 F HA 0.399 4.926 4.527 -0.000 0.000 0.358 354 F C 0.418 176.316 175.800 0.164 0.000 1.120 354 F CA -0.217 57.890 58.000 0.177 0.000 1.144 354 F CB 1.008 40.075 39.000 0.111 0.000 1.133 354 F HN 0.238 nan 8.300 nan 0.000 0.495 355 I N 4.808 125.563 120.570 0.308 0.000 2.390 355 I HA 0.113 4.283 4.170 -0.000 0.000 0.283 355 I C 0.824 177.087 176.117 0.244 0.000 1.016 355 I CA -0.509 60.946 61.300 0.257 0.000 1.151 355 I CB 1.175 39.300 38.000 0.208 0.000 1.293 355 I HN 0.594 nan 8.210 nan 0.000 0.458 356 D N 4.703 125.252 120.400 0.249 0.000 2.123 356 D HA -0.228 4.412 4.640 -0.000 0.000 0.196 356 D C 0.571 176.968 176.300 0.163 0.000 0.992 356 D CA 1.586 55.706 54.000 0.200 0.000 0.833 356 D CB 0.411 41.322 40.800 0.185 0.000 0.954 356 D HN 0.441 nan 8.370 nan 0.000 0.455 357 E N -0.688 119.617 120.200 0.175 0.000 2.621 357 E HA 0.208 4.558 4.350 -0.000 0.000 0.263 357 E C 0.326 177.000 176.600 0.124 0.000 1.033 357 E CA -0.486 55.993 56.400 0.132 0.000 0.778 357 E CB 0.796 30.577 29.700 0.135 0.000 1.426 357 E HN 0.000 nan 8.360 nan 0.000 0.394 358 L N 3.562 124.844 121.223 0.098 0.000 2.081 358 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 358 L C 1.760 178.711 176.870 0.134 0.000 1.080 358 L CA 2.680 57.584 54.840 0.106 0.000 0.754 358 L CB -0.313 41.769 42.059 0.039 0.000 0.893 358 L HN 0.624 nan 8.230 nan 0.000 0.433 359 A N -2.386 120.497 122.820 0.105 0.000 2.168 359 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 359 A C 2.271 179.909 177.584 0.090 0.000 1.152 359 A CA 1.327 53.434 52.037 0.117 0.000 0.716 359 A CB -0.496 18.553 19.000 0.081 0.000 0.794 359 A HN 0.465 nan 8.150 nan 0.000 0.465 360 S N -0.468 115.281 115.700 0.082 0.000 2.562 360 S HA 0.264 4.734 4.470 -0.000 0.000 0.221 360 S C 0.679 175.285 174.600 0.010 0.000 0.975 360 S CA -0.017 58.214 58.200 0.052 0.000 0.918 360 S CB -0.265 62.983 63.200 0.080 0.000 0.772 360 S HN 0.465 nan 8.310 nan 0.000 0.531 361 L N 1.056 122.300 121.223 0.035 0.000 2.472 361 L HA 0.398 4.738 4.340 -0.000 0.000 0.256 361 L C 0.836 177.697 176.870 -0.015 0.000 1.111 361 L CA -0.782 54.059 54.840 0.001 0.000 0.800 361 L CB 0.452 42.543 42.059 0.053 0.000 1.286 361 L HN 0.110 nan 8.230 nan 0.000 0.479 362 E N 0.068 120.239 120.200 -0.049 0.000 2.602 362 E HA 0.121 4.471 4.350 -0.000 0.000 0.255 362 E C -0.605 175.873 176.600 -0.203 0.000 1.268 362 E CA -0.733 55.602 56.400 -0.108 0.000 1.007 362 E CB 0.626 30.274 29.700 -0.086 0.000 1.208 362 E HN 0.274 nan 8.360 nan 0.000 0.584 363 K N 1.853 122.041 120.400 -0.353 0.000 2.237 363 K HA 0.095 4.415 4.320 -0.000 0.000 0.283 363 K C -0.452 176.024 176.600 -0.206 0.000 1.080 363 K CA -0.087 55.812 56.287 -0.646 0.000 0.965 363 K CB -0.413 31.765 32.500 -0.537 0.000 1.098 363 K HN 0.294 nan 8.250 nan 0.000 0.434 364 L N 3.939 125.175 121.223 0.023 0.000 2.477 364 L HA 0.009 4.349 4.340 -0.000 0.000 0.272 364 L C 1.507 178.457 176.870 0.133 0.000 1.157 364 L CA -0.360 54.555 54.840 0.125 0.000 0.889 364 L CB 0.903 43.078 42.059 0.194 0.000 1.158 364 L HN 0.745 nan 8.230 nan 0.000 0.473 365 A N 2.441 125.304 122.820 0.072 0.000 2.067 365 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 365 A C 1.945 179.563 177.584 0.057 0.000 1.158 365 A CA 1.602 53.672 52.037 0.056 0.000 0.661 365 A CB -0.087 18.930 19.000 0.029 0.000 0.801 365 A HN 0.762 nan 8.150 nan 0.000 0.452 366 S N -1.141 114.597 115.700 0.063 0.000 2.540 366 S HA 0.235 4.705 4.470 -0.000 0.000 0.222 366 S C 1.430 176.053 174.600 0.038 0.000 1.008 366 S CA -0.212 58.014 58.200 0.043 0.000 0.939 366 S CB -0.004 63.218 63.200 0.037 0.000 0.865 366 S HN 0.481 nan 8.310 nan 0.000 0.499 367 L N 1.941 123.202 121.223 0.063 0.000 2.013 367 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 367 L C 2.614 179.461 176.870 -0.038 0.000 1.073 367 L CA 1.812 56.668 54.840 0.027 0.000 0.753 367 L CB -0.674 41.432 42.059 0.079 0.000 0.890 367 L HN 0.422 nan 8.230 nan 0.000 0.432 368 A N -0.155 122.658 122.820 -0.010 0.000 1.859 368 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 368 A C 1.899 179.451 177.584 -0.055 0.000 1.198 368 A CA 2.190 54.203 52.037 -0.039 0.000 0.629 368 A CB -0.859 18.140 19.000 -0.001 0.000 0.830 368 A HN 0.509 nan 8.150 nan 0.000 0.446 369 D N -0.138 120.245 120.400 -0.028 0.000 2.149 369 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 369 D C 2.250 178.525 176.300 -0.041 0.000 0.990 369 D CA 1.489 55.473 54.000 -0.027 0.000 0.839 369 D CB -0.435 40.358 40.800 -0.011 0.000 0.948 369 D HN 0.444 nan 8.370 nan 0.000 0.460 370 A N 0.979 123.770 122.820 -0.049 0.000 1.883 370 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 370 A C 2.352 179.861 177.584 -0.124 0.000 1.186 370 A CA 0.952 52.951 52.037 -0.062 0.000 0.624 370 A CB -0.829 18.138 19.000 -0.055 0.000 0.822 370 A HN 0.228 nan 8.150 nan 0.000 0.444 371 L N -1.030 120.052 121.223 -0.235 0.000 2.465 371 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 371 L C 2.095 178.907 176.870 -0.098 0.000 1.145 371 L CA 1.259 55.849 54.840 -0.416 0.000 0.834 371 L CB -0.214 41.491 42.059 -0.589 0.000 0.944 371 L HN 0.356 nan 8.230 nan 0.000 0.451 372 T N -1.692 112.827 114.554 -0.058 0.000 2.978 372 T HA 0.077 4.427 4.350 -0.000 0.000 0.248 372 T C 1.309 176.003 174.700 -0.010 0.000 1.018 372 T CA 0.315 62.403 62.100 -0.019 0.000 1.026 372 T CB 0.461 69.311 68.868 -0.030 0.000 1.032 372 T HN 0.185 nan 8.240 nan 0.000 0.485 373 K N 0.730 121.122 120.400 -0.014 0.000 2.478 373 K HA 0.331 4.651 4.320 -0.000 0.000 0.205 373 K C 1.459 178.052 176.600 -0.013 0.000 1.033 373 K CA -0.157 56.122 56.287 -0.014 0.000 1.091 373 K CB 0.954 33.445 32.500 -0.015 0.000 0.844 373 K HN 0.142 nan 8.250 nan 0.000 0.507 374 G N 0.849 109.647 108.800 -0.003 0.000 3.042 374 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.212 374 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.212 374 G C 1.211 176.091 174.900 -0.034 0.000 1.166 374 G CA -0.193 44.902 45.100 -0.007 0.000 0.767 374 G HN 0.132 nan 8.290 nan 0.000 0.546 375 R N 0.656 121.128 120.500 -0.048 0.000 2.075 375 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 375 R C 2.332 178.585 176.300 -0.078 0.000 1.126 375 R CA 1.361 57.409 56.100 -0.086 0.000 0.963 375 R CB -0.095 30.152 30.300 -0.088 0.000 0.858 375 R HN 0.258 nan 8.270 nan 0.000 0.435 376 K N -0.278 120.089 120.400 -0.055 0.000 2.063 376 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 376 K C 1.935 178.504 176.600 -0.052 0.000 1.048 376 K CA 1.564 57.822 56.287 -0.049 0.000 0.928 376 K CB -0.156 32.324 32.500 -0.034 0.000 0.713 376 K HN 0.175 nan 8.250 nan 0.000 0.442 377 A N 0.580 123.371 122.820 -0.048 0.000 2.167 377 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 377 A C 1.460 178.998 177.584 -0.078 0.000 1.151 377 A CA 0.917 52.924 52.037 -0.050 0.000 0.735 377 A CB -0.424 18.558 19.000 -0.030 0.000 0.802 377 A HN 0.454 nan 8.150 nan 0.000 0.467 378 G N -1.106 107.632 108.800 -0.102 0.000 2.182 378 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 378 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 378 G C 0.041 174.819 174.900 -0.204 0.000 1.042 378 G CA 0.214 45.220 45.100 -0.156 0.000 0.775 378 G HN 0.593 nan 8.290 nan 0.000 0.501 379 L N 0.035 121.171 121.223 -0.146 0.000 2.410 379 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 379 L C 0.542 177.299 176.870 -0.189 0.000 1.152 379 L CA -0.077 54.688 54.840 -0.125 0.000 0.855 379 L CB 0.361 42.406 42.059 -0.023 0.000 1.129 379 L HN 0.306 nan 8.230 nan 0.000 0.463 380 R N 4.101 124.415 120.500 -0.311 0.000 2.435 380 R HA 0.463 4.803 4.340 -0.000 0.000 0.308 380 R C -1.227 175.009 176.300 -0.106 0.000 0.975 380 R CA -0.627 55.211 56.100 -0.437 0.000 0.867 380 R CB 2.031 31.503 30.300 -1.381 0.000 1.171 380 R HN 0.356 nan 8.270 nan 0.000 0.470 381 V N 3.584 123.622 119.914 0.207 0.000 2.427 381 V HA 0.458 4.578 4.120 -0.000 0.000 0.286 381 V C -0.148 176.070 176.094 0.205 0.000 1.034 381 V CA -0.793 61.563 62.300 0.092 0.000 0.893 381 V CB 1.928 33.654 31.823 -0.162 0.000 0.982 381 V HN 0.403 nan 8.190 nan 0.000 0.452 382 V N 3.782 123.770 119.914 0.123 0.000 2.482 382 V HA 0.834 4.954 4.120 -0.000 0.000 0.295 382 V C 0.062 176.292 176.094 0.227 0.000 1.026 382 V CA -0.328 62.086 62.300 0.190 0.000 0.856 382 V CB 1.651 33.483 31.823 0.015 0.000 1.001 382 V HN 1.052 nan 8.190 nan 0.000 0.424 383 A N 3.572 126.537 122.820 0.242 0.000 2.386 383 A HA 0.940 5.260 4.320 -0.000 0.000 0.311 383 A C 0.124 177.735 177.584 0.045 0.000 1.068 383 A CA -0.186 51.932 52.037 0.136 0.000 0.743 383 A CB 1.777 20.823 19.000 0.078 0.000 1.258 383 A HN 1.019 nan 8.150 nan 0.000 0.429 384 G N -0.281 108.563 108.800 0.073 0.000 2.425 384 G HA2 0.602 4.562 3.960 -0.000 0.000 0.302 384 G HA3 0.602 4.562 3.960 -0.000 0.000 0.302 384 G C -1.278 173.625 174.900 0.005 0.000 1.159 384 G CA -0.289 44.840 45.100 0.049 0.000 0.865 384 G HN 0.929 nan 8.290 nan 0.000 0.515 385 L N -0.113 121.104 121.223 -0.010 0.000 2.549 385 L HA 0.369 4.709 4.340 -0.000 0.000 0.259 385 L C 0.619 177.486 176.870 -0.004 0.000 0.934 385 L CA -0.413 54.414 54.840 -0.022 0.000 0.865 385 L CB 2.091 44.101 42.059 -0.081 0.000 1.352 385 L HN 0.732 nan 8.230 nan 0.000 0.410 386 Q N 0.403 120.207 119.800 0.008 0.000 2.252 386 Q HA 0.354 4.694 4.340 -0.000 0.000 0.195 386 Q C -0.280 175.724 176.000 0.006 0.000 0.974 386 Q CA 0.262 56.072 55.803 0.012 0.000 0.846 386 Q CB 0.521 29.272 28.738 0.022 0.000 0.943 386 Q HN 0.628 nan 8.270 nan 0.000 0.516 387 S N -0.301 115.404 115.700 0.008 0.000 2.503 387 S HA 0.162 4.632 4.470 -0.000 0.000 0.301 387 S C 0.654 175.255 174.600 0.002 0.000 1.087 387 S CA -0.464 57.740 58.200 0.005 0.000 1.042 387 S CB 1.656 64.863 63.200 0.011 0.000 1.043 387 S HN 0.441 nan 8.310 nan 0.000 0.489 388 T N -0.299 114.253 114.554 -0.003 0.000 2.995 388 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 388 T C 1.918 176.623 174.700 0.008 0.000 1.091 388 T CA 1.243 63.339 62.100 -0.006 0.000 1.128 388 T CB -0.443 68.419 68.868 -0.010 0.000 0.891 388 T HN 0.576 nan 8.240 nan 0.000 0.492 389 S N 1.455 117.162 115.700 0.011 0.000 2.423 389 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 389 S C 2.115 176.731 174.600 0.028 0.000 1.014 389 S CA 0.585 58.796 58.200 0.018 0.000 0.965 389 S CB -0.547 62.661 63.200 0.014 0.000 0.785 389 S HN 0.601 nan 8.310 nan 0.000 0.495 390 Q N 0.481 120.299 119.800 0.030 0.000 1.965 390 Q HA 0.011 4.351 4.340 -0.000 0.000 0.200 390 Q C 2.239 178.282 176.000 0.072 0.000 0.981 390 Q CA 1.434 57.263 55.803 0.043 0.000 0.834 390 Q CB -0.456 28.307 28.738 0.042 0.000 0.900 390 Q HN 0.445 nan 8.270 nan 0.000 0.426 391 L N 1.567 122.836 121.223 0.077 0.000 2.051 391 L HA -0.265 4.075 4.340 -0.000 0.000 0.214 391 L C 1.509 178.478 176.870 0.165 0.000 1.076 391 L CA 1.975 56.895 54.840 0.133 0.000 0.758 391 L CB -0.536 41.542 42.059 0.032 0.000 0.890 391 L HN 0.194 nan 8.230 nan 0.000 0.433 392 D N -0.754 119.699 120.400 0.089 0.000 2.092 392 D HA -0.223 4.417 4.640 -0.000 0.000 0.193 392 D C 1.894 178.239 176.300 0.075 0.000 0.994 392 D CA 1.581 55.627 54.000 0.076 0.000 0.828 392 D CB -0.263 40.562 40.800 0.041 0.000 0.963 392 D HN 0.450 nan 8.370 nan 0.000 0.450 393 D N -0.687 119.746 120.400 0.056 0.000 2.218 393 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 393 D C 1.798 178.111 176.300 0.022 0.000 0.976 393 D CA 0.488 54.507 54.000 0.033 0.000 0.853 393 D CB 0.300 41.114 40.800 0.023 0.000 0.939 393 D HN 0.018 nan 8.370 nan 0.000 0.481 394 V N -0.653 119.290 119.914 0.049 0.000 2.374 394 V HA -0.109 4.011 4.120 -0.000 0.000 0.241 394 V C 1.495 177.507 176.094 -0.137 0.000 1.034 394 V CA 1.113 63.388 62.300 -0.041 0.000 1.037 394 V CB -0.543 31.270 31.823 -0.016 0.000 0.682 394 V HN 0.191 nan 8.190 nan 0.000 0.463 395 Y N 0.669 120.971 120.300 0.004 0.000 2.503 395 Y HA 0.518 5.068 4.550 -0.000 0.000 0.278 395 Y C 1.338 177.237 175.900 -0.002 0.000 1.111 395 Y CA 0.493 58.595 58.100 0.004 0.000 1.270 395 Y CB 0.044 38.512 38.460 0.013 0.000 1.063 395 Y HN 0.364 nan 8.280 nan 0.000 0.548 396 G N -0.562 108.317 108.800 0.132 0.000 2.712 396 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 396 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 396 G C 0.371 175.316 174.900 0.076 0.000 1.181 396 G CA -0.537 44.606 45.100 0.072 0.000 0.762 396 G HN -0.032 nan 8.290 nan 0.000 0.641 397 V N 2.444 122.385 119.914 0.045 0.000 2.219 397 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 397 V C 3.076 179.190 176.094 0.033 0.000 1.053 397 V CA 2.740 65.061 62.300 0.035 0.000 1.009 397 V CB -0.566 31.269 31.823 0.020 0.000 0.636 397 V HN 0.799 nan 8.190 nan 0.000 0.445 398 K N -0.139 120.279 120.400 0.029 0.000 2.020 398 K HA -0.259 4.061 4.320 -0.000 0.000 0.212 398 K C 2.150 178.770 176.600 0.033 0.000 1.050 398 K CA 2.129 58.431 56.287 0.025 0.000 0.929 398 K CB -0.543 31.969 32.500 0.019 0.000 0.714 398 K HN 0.629 nan 8.250 nan 0.000 0.443 399 E N 0.190 120.423 120.200 0.054 0.000 2.077 399 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 399 E C 1.863 178.492 176.600 0.048 0.000 0.989 399 E CA 1.226 57.672 56.400 0.075 0.000 0.800 399 E CB -0.080 29.703 29.700 0.138 0.000 0.746 399 E HN 0.319 nan 8.360 nan 0.000 0.452 400 A N 0.631 123.487 122.820 0.060 0.000 1.933 400 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 400 A C 2.129 179.697 177.584 -0.026 0.000 1.175 400 A CA 1.713 53.742 52.037 -0.013 0.000 0.628 400 A CB -0.609 18.416 19.000 0.041 0.000 0.814 400 A HN 0.403 nan 8.150 nan 0.000 0.444 401 Q N -0.691 119.111 119.800 0.003 0.000 2.050 401 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 401 Q C 2.006 178.012 176.000 0.010 0.000 0.980 401 Q CA 2.166 57.972 55.803 0.006 0.000 0.840 401 Q CB -0.296 28.449 28.738 0.011 0.000 0.898 401 Q HN 0.597 nan 8.270 nan 0.000 0.424 402 T N 1.574 116.133 114.554 0.008 0.000 2.746 402 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 402 T C 1.713 176.420 174.700 0.012 0.000 1.039 402 T CA 1.140 63.246 62.100 0.011 0.000 1.142 402 T CB -0.270 68.603 68.868 0.008 0.000 0.866 402 T HN 0.194 nan 8.240 nan 0.000 0.444 403 L N 1.279 122.491 121.223 -0.019 0.000 1.994 403 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 403 L C 2.535 179.495 176.870 0.150 0.000 1.071 403 L CA 1.753 56.584 54.840 -0.014 0.000 0.745 403 L CB -0.492 41.441 42.059 -0.211 0.000 0.892 403 L HN 0.067 nan 8.230 nan 0.000 0.431 404 R N -0.764 119.783 120.500 0.079 0.000 2.091 404 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 404 R C 2.165 178.588 176.300 0.205 0.000 1.136 404 R CA 1.319 57.486 56.100 0.111 0.000 0.959 404 R CB -0.701 29.594 30.300 -0.007 0.000 0.856 404 R HN 0.527 nan 8.270 nan 0.000 0.437 405 A N 0.444 123.335 122.820 0.117 0.000 2.076 405 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 405 A C 2.018 179.671 177.584 0.115 0.000 1.160 405 A CA 1.585 53.681 52.037 0.098 0.000 0.653 405 A CB -0.256 18.775 19.000 0.053 0.000 0.801 405 A HN 0.225 nan 8.150 nan 0.000 0.455 406 S N -1.060 114.714 115.700 0.124 0.000 2.489 406 S HA 0.133 4.603 4.470 -0.000 0.000 0.228 406 S C -0.119 174.476 174.600 -0.008 0.000 0.995 406 S CA 0.112 58.321 58.200 0.015 0.000 0.934 406 S CB -0.257 62.873 63.200 -0.117 0.000 0.771 406 S HN 0.464 nan 8.310 nan 0.000 0.522 407 F N 2.540 122.526 119.950 0.061 0.000 2.368 407 F HA 0.379 4.906 4.527 -0.000 0.000 0.362 407 F C 1.344 177.198 175.800 0.091 0.000 1.137 407 F CA -0.927 57.139 58.000 0.110 0.000 1.161 407 F CB 0.618 39.661 39.000 0.072 0.000 1.265 407 F HN -0.173 nan 8.300 nan 0.000 0.530 408 R N 0.476 121.099 120.500 0.204 0.000 2.115 408 R HA 0.005 4.345 4.340 -0.000 0.000 0.230 408 R C 0.358 176.756 176.300 0.163 0.000 1.111 408 R CA 0.436 56.621 56.100 0.143 0.000 0.976 408 R CB -0.489 29.857 30.300 0.078 0.000 0.870 408 R HN 0.356 nan 8.270 nan 0.000 0.445 409 S N 1.103 116.927 115.700 0.207 0.000 2.489 409 S HA 0.461 4.931 4.470 -0.000 0.000 0.291 409 S C -0.404 174.295 174.600 0.165 0.000 1.151 409 S CA -0.715 57.610 58.200 0.209 0.000 1.082 409 S CB 1.696 65.085 63.200 0.314 0.000 1.019 409 S HN 0.068 nan 8.310 nan 0.000 0.492 410 L N 3.467 124.740 121.223 0.083 0.000 2.341 410 L HA 0.837 5.177 4.340 -0.000 0.000 0.267 410 L C -1.453 175.413 176.870 -0.007 0.000 1.009 410 L CA -0.514 54.352 54.840 0.043 0.000 0.819 410 L CB 1.909 43.988 42.059 0.034 0.000 1.323 410 L HN 0.451 nan 8.230 nan 0.000 0.425 411 V N 4.493 124.410 119.914 0.006 0.000 2.569 411 V HA 0.481 4.601 4.120 -0.000 0.000 0.301 411 V C -0.952 175.161 176.094 0.033 0.000 1.044 411 V CA -0.609 61.694 62.300 0.004 0.000 0.874 411 V CB 2.046 33.873 31.823 0.007 0.000 1.002 411 V HN 0.523 nan 8.190 nan 0.000 0.424 412 V N 6.605 126.563 119.914 0.073 0.000 2.334 412 V HA 0.366 4.486 4.120 -0.000 0.000 0.281 412 V C 0.570 176.738 176.094 0.124 0.000 1.016 412 V CA -0.177 62.178 62.300 0.092 0.000 0.832 412 V CB 1.607 33.488 31.823 0.095 0.000 0.999 412 V HN 0.763 nan 8.190 nan 0.000 0.439 413 L N 4.199 125.468 121.223 0.075 0.000 2.629 413 L HA 0.428 4.768 4.340 -0.000 0.000 0.230 413 L C 1.167 178.075 176.870 0.064 0.000 1.151 413 L CA 0.371 55.247 54.840 0.061 0.000 0.924 413 L CB -0.254 41.829 42.059 0.039 0.000 1.137 413 L HN 0.982 nan 8.230 nan 0.000 0.457 414 G N -0.008 108.844 108.800 0.086 0.000 3.129 414 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.686 414 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.686 414 G C 0.004 174.930 174.900 0.043 0.000 0.989 414 G CA -0.361 44.782 45.100 0.073 0.000 0.810 414 G HN 0.404 nan 8.290 nan 0.000 0.539 415 G N 0.100 108.920 108.800 0.033 0.000 2.887 415 G HA2 0.861 4.821 3.960 -0.000 0.000 0.277 415 G HA3 0.861 4.821 3.960 -0.000 0.000 0.277 415 G C 0.445 175.357 174.900 0.019 0.000 1.346 415 G CA 0.596 45.709 45.100 0.022 0.000 1.058 415 G HN 1.785 nan 8.290 nan 0.000 0.535 416 S N -1.524 114.185 115.700 0.014 0.000 2.592 416 S HA 0.151 4.621 4.470 -0.000 0.000 0.271 416 S C 1.711 176.317 174.600 0.010 0.000 1.326 416 S CA -0.288 57.919 58.200 0.012 0.000 1.024 416 S CB 0.678 63.884 63.200 0.010 0.000 0.921 416 S HN 0.629 nan 8.310 nan 0.000 0.527 417 R N 1.397 121.903 120.500 0.009 0.000 2.307 417 R HA 0.025 4.365 4.340 -0.000 0.000 0.199 417 R C 1.494 177.797 176.300 0.005 0.000 1.000 417 R CA 1.189 57.293 56.100 0.007 0.000 1.023 417 R CB -1.072 29.232 30.300 0.006 0.000 0.908 417 R HN 0.694 nan 8.270 nan 0.000 0.473 418 T N -2.375 112.182 114.554 0.005 0.000 3.113 418 T HA -0.061 4.289 4.350 -0.000 0.000 0.256 418 T C 0.281 174.984 174.700 0.004 0.000 1.131 418 T CA 0.433 62.536 62.100 0.005 0.000 1.074 418 T CB 0.090 68.961 68.868 0.005 0.000 0.944 418 T HN 0.152 nan 8.240 nan 0.000 0.516 419 D N 2.087 122.490 120.400 0.005 0.000 2.517 419 D HA 0.297 4.937 4.640 -0.000 0.000 0.301 419 D C -1.536 174.766 176.300 0.002 0.000 1.202 419 D CA -2.528 51.474 54.000 0.004 0.000 0.910 419 D CB 1.411 42.215 40.800 0.005 0.000 1.021 419 D HN 0.030 nan 8.370 nan 0.000 0.499 420 P HA -0.149 nan 4.420 nan 0.000 0.222 420 P C 1.063 178.362 177.300 -0.003 0.000 1.147 420 P CA 0.692 63.791 63.100 -0.001 0.000 0.790 420 P CB 0.604 32.304 31.700 -0.001 0.000 0.780 421 K N -0.271 120.128 120.400 -0.002 0.000 2.002 421 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 421 K C 2.253 178.850 176.600 -0.005 0.000 1.048 421 K CA 1.837 58.123 56.287 -0.003 0.000 0.930 421 K CB -0.888 31.611 32.500 -0.001 0.000 0.714 421 K HN 0.106 nan 8.250 nan 0.000 0.438 422 T N 1.826 116.378 114.554 -0.003 0.000 2.746 422 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 422 T C 1.564 176.258 174.700 -0.009 0.000 1.039 422 T CA 1.257 63.354 62.100 -0.005 0.000 1.142 422 T CB -0.271 68.596 68.868 -0.002 0.000 0.866 422 T HN 0.205 nan 8.240 nan 0.000 0.444 423 N N 1.057 119.753 118.700 -0.007 0.000 2.149 423 N HA -0.119 4.620 4.740 -0.000 0.000 0.188 423 N C 1.946 177.444 175.510 -0.020 0.000 1.019 423 N CA 1.163 54.207 53.050 -0.011 0.000 0.857 423 N CB -0.320 38.163 38.487 -0.005 0.000 0.997 423 N HN 0.481 nan 8.380 nan 0.000 0.426 424 E N 1.513 121.703 120.200 -0.017 0.000 2.047 424 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 424 E C 1.079 177.665 176.600 -0.023 0.000 0.987 424 E CA 1.355 57.743 56.400 -0.020 0.000 0.799 424 E CB -0.207 29.485 29.700 -0.014 0.000 0.752 424 E HN 0.146 nan 8.360 nan 0.000 0.449 425 D N -0.207 120.182 120.400 -0.019 0.000 2.104 425 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 425 D C 1.862 178.146 176.300 -0.027 0.000 0.994 425 D CA 1.306 55.294 54.000 -0.019 0.000 0.830 425 D CB -0.220 40.571 40.800 -0.015 0.000 0.959 425 D HN 0.262 nan 8.370 nan 0.000 0.452 426 M N 0.357 119.940 119.600 -0.030 0.000 2.117 426 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 426 M C 2.349 178.609 176.300 -0.066 0.000 1.065 426 M CA 0.836 56.112 55.300 -0.040 0.000 1.114 426 M CB -1.175 31.406 32.600 -0.031 0.000 1.361 426 M HN -0.049 nan 8.290 nan 0.000 0.408 427 S N 0.688 116.347 115.700 -0.068 0.000 2.348 427 S HA -0.103 4.367 4.470 -0.000 0.000 0.221 427 S C 1.995 176.551 174.600 -0.074 0.000 1.033 427 S CA 1.005 59.152 58.200 -0.088 0.000 1.010 427 S CB -0.265 62.895 63.200 -0.067 0.000 0.891 427 S HN 0.481 nan 8.310 nan 0.000 0.442 428 L N 0.888 122.082 121.223 -0.049 0.000 2.083 428 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 428 L C 2.456 179.305 176.870 -0.034 0.000 1.083 428 L CA 1.516 56.334 54.840 -0.038 0.000 0.752 428 L CB -0.545 41.498 42.059 -0.026 0.000 0.899 428 L HN 0.363 nan 8.230 nan 0.000 0.433 429 S N -0.106 115.574 115.700 -0.034 0.000 2.368 429 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 429 S C 1.726 176.309 174.600 -0.029 0.000 1.030 429 S CA 0.888 59.074 58.200 -0.023 0.000 0.999 429 S CB -0.198 62.989 63.200 -0.020 0.000 0.844 429 S HN 0.234 nan 8.310 nan 0.000 0.459 430 L N 1.038 122.226 121.223 -0.058 0.000 2.265 430 L HA 0.142 4.482 4.340 -0.000 0.000 0.215 430 L C 1.439 178.279 176.870 -0.051 0.000 1.117 430 L CA 1.315 56.111 54.840 -0.072 0.000 0.782 430 L CB -2.030 39.933 42.059 -0.161 0.000 0.914 430 L HN 0.479 nan 8.230 nan 0.000 0.441 431 G N -0.395 108.375 108.800 -0.049 0.000 2.730 431 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 431 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 431 G C -0.271 174.593 174.900 -0.060 0.000 1.343 431 G CA -0.552 44.526 45.100 -0.036 0.000 0.826 431 G HN 0.237 nan 8.290 nan 0.000 0.582 432 E N -0.212 119.959 120.200 -0.049 0.000 2.254 432 E HA 0.675 5.025 4.350 -0.000 0.000 0.258 432 E C 0.300 176.884 176.600 -0.026 0.000 1.033 432 E CA -0.529 55.825 56.400 -0.077 0.000 0.893 432 E CB 1.393 31.063 29.700 -0.050 0.000 1.204 432 E HN 0.840 nan 8.360 nan 0.000 0.425 433 H N -1.609 117.370 119.070 -0.153 0.000 2.930 433 H HA 0.477 5.033 4.556 -0.000 0.000 0.371 433 H C -1.245 173.863 175.328 -0.366 0.000 1.169 433 H CA -0.980 54.909 56.048 -0.266 0.000 1.157 433 H CB 1.877 31.480 29.762 -0.265 0.000 1.789 433 H HN 0.373 nan 8.280 nan 0.000 0.547 434 E N 2.612 122.572 120.200 -0.401 0.000 2.156 434 E HA 0.444 4.794 4.350 -0.000 0.000 0.279 434 E C -1.429 174.739 176.600 -0.720 0.000 0.965 434 E CA -0.847 55.301 56.400 -0.419 0.000 0.789 434 E CB 1.993 31.511 29.700 -0.304 0.000 1.098 434 E HN 0.389 nan 8.360 nan 0.000 0.397 435 V N 3.600 123.143 119.914 -0.620 0.000 3.040 435 V HA 0.294 4.414 4.120 -0.000 0.000 0.312 435 V C -0.953 174.947 176.094 -0.323 0.000 1.115 435 V CA -0.720 61.164 62.300 -0.694 0.000 0.998 435 V CB 2.315 33.437 31.823 -1.168 0.000 1.042 435 V HN 0.719 nan 8.190 nan 0.000 0.433 436 E N 2.978 123.069 120.200 -0.181 0.000 2.102 436 E HA 0.496 4.846 4.350 -0.000 0.000 0.263 436 E C -0.685 175.952 176.600 0.061 0.000 0.894 436 E CA -0.400 55.975 56.400 -0.041 0.000 0.746 436 E CB 0.873 30.564 29.700 -0.015 0.000 1.129 436 E HN 0.418 nan 8.360 nan 0.000 0.416 437 R N 2.689 123.217 120.500 0.046 0.000 2.888 437 R HA 0.514 4.854 4.340 -0.000 0.000 0.266 437 R C -1.159 175.178 176.300 0.063 0.000 1.020 437 R CA -0.684 55.472 56.100 0.094 0.000 0.963 437 R CB 1.837 32.206 30.300 0.114 0.000 1.197 437 R HN 0.625 nan 8.270 nan 0.000 0.481 456 R N 1.441 121.924 120.500 -0.029 0.000 2.338 456 R HA 0.671 5.011 4.340 -0.000 0.000 0.317 456 R C -1.334 174.932 176.300 -0.057 0.000 0.968 456 R CA -0.425 55.639 56.100 -0.060 0.000 0.849 456 R CB 2.199 32.464 30.300 -0.059 0.000 1.128 456 R HN -0.029 nan 8.270 nan 0.000 0.448 457 V N 3.145 123.007 119.914 -0.086 0.000 2.841 457 V HA 0.513 4.633 4.120 -0.000 0.000 0.310 457 V C -0.440 175.606 176.094 -0.081 0.000 1.090 457 V CA -0.962 61.303 62.300 -0.058 0.000 0.930 457 V CB 2.409 34.223 31.823 -0.015 0.000 1.014 457 V HN 0.638 nan 8.190 nan 0.000 0.425 458 R N 2.578 123.054 120.500 -0.040 0.000 2.445 458 R HA 0.739 5.079 4.340 -0.000 0.000 0.308 458 R C -0.896 175.412 176.300 0.014 0.000 0.961 458 R CA -0.442 55.642 56.100 -0.027 0.000 0.862 458 R CB 1.689 31.966 30.300 -0.037 0.000 1.144 458 R HN 0.975 nan 8.270 nan 0.000 0.447 459 E N 2.480 122.702 120.200 0.036 0.000 2.401 459 E HA 0.358 4.708 4.350 -0.000 0.000 0.280 459 E C -1.137 175.405 176.600 -0.097 0.000 1.039 459 E CA -1.243 55.162 56.400 0.008 0.000 0.814 459 E CB 1.083 30.837 29.700 0.090 0.000 1.275 459 E HN 0.116 nan 8.360 nan 0.000 0.448 460 R N 1.015 121.475 120.500 -0.066 0.000 2.442 460 R HA 0.131 4.471 4.340 -0.000 0.000 0.291 460 R C 0.868 177.097 176.300 -0.118 0.000 1.069 460 R CA -0.172 55.870 56.100 -0.097 0.000 1.022 460 R CB 0.883 31.149 30.300 -0.056 0.000 0.976 460 R HN 0.513 nan 8.270 nan 0.000 0.443 461 V N 2.607 122.402 119.914 -0.199 0.000 2.515 461 V HA -0.110 4.010 4.120 -0.000 0.000 0.250 461 V C 0.929 177.064 176.094 0.069 0.000 1.058 461 V CA 1.369 63.606 62.300 -0.106 0.000 1.064 461 V CB 0.046 31.797 31.823 -0.120 0.000 0.675 461 V HN 0.391 nan 8.190 nan 0.000 0.461 462 V N 0.872 120.734 119.914 -0.086 0.000 2.482 462 V HA 0.367 4.487 4.120 -0.000 0.000 0.295 462 V C -0.160 175.863 176.094 -0.118 0.000 1.026 462 V CA -0.487 61.717 62.300 -0.161 0.000 0.856 462 V CB 1.617 33.143 31.823 -0.496 0.000 1.001 462 V HN 0.239 nan 8.190 nan 0.000 0.424 463 M N 5.461 125.023 119.600 -0.064 0.000 2.240 463 M HA 0.209 4.689 4.480 -0.000 0.000 0.333 463 M C -1.365 174.907 176.300 -0.046 0.000 1.110 463 M CA -1.153 54.120 55.300 -0.044 0.000 1.173 463 M CB 1.041 33.626 32.600 -0.026 0.000 1.458 463 M HN 0.319 nan 8.290 nan 0.000 0.458 464 P HA -0.142 nan 4.420 nan 0.000 0.216 464 P C 0.813 178.105 177.300 -0.012 0.000 1.150 464 P CA 1.607 64.691 63.100 -0.027 0.000 0.837 464 P CB -0.005 31.683 31.700 -0.020 0.000 0.786 465 A N 0.056 122.870 122.820 -0.009 0.000 1.933 465 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 465 A C 2.121 179.711 177.584 0.010 0.000 1.175 465 A CA 1.634 53.671 52.037 0.000 0.000 0.628 465 A CB -1.181 17.818 19.000 -0.003 0.000 0.814 465 A HN 0.193 nan 8.150 nan 0.000 0.444 466 E N -0.303 119.903 120.200 0.010 0.000 2.085 466 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 466 E C 1.841 178.489 176.600 0.080 0.000 0.994 466 E CA 1.280 57.706 56.400 0.043 0.000 0.801 466 E CB -0.311 29.416 29.700 0.046 0.000 0.743 466 E HN 0.713 nan 8.360 nan 0.000 0.453 467 I N 0.877 121.477 120.570 0.050 0.000 2.394 467 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 467 I C 2.350 178.501 176.117 0.057 0.000 1.136 467 I CA 0.627 61.971 61.300 0.073 0.000 1.425 467 I CB -0.175 37.836 38.000 0.018 0.000 1.079 467 I HN 0.044 nan 8.210 nan 0.000 0.425 468 A N 0.322 123.162 122.820 0.033 0.000 2.167 468 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 468 A C 1.679 179.279 177.584 0.026 0.000 1.151 468 A CA 0.902 52.953 52.037 0.025 0.000 0.735 468 A CB -0.287 18.721 19.000 0.014 0.000 0.802 468 A HN 0.376 nan 8.150 nan 0.000 0.467 469 N N -0.323 118.396 118.700 0.033 0.000 2.236 469 N HA 0.187 4.927 4.740 -0.000 0.000 0.196 469 N C -0.109 175.419 175.510 0.030 0.000 1.114 469 N CA -0.032 53.034 53.050 0.027 0.000 0.859 469 N CB 0.218 38.718 38.487 0.021 0.000 0.982 469 N HN 0.391 nan 8.380 nan 0.000 0.493 470 L N 3.310 124.561 121.223 0.046 0.000 2.540 470 L HA 0.092 4.432 4.340 -0.000 0.000 0.276 470 L C -1.633 175.247 176.870 0.016 0.000 1.212 470 L CA -0.850 54.012 54.840 0.037 0.000 0.893 470 L CB 0.110 42.205 42.059 0.059 0.000 1.138 470 L HN -0.083 nan 8.230 nan 0.000 0.491 471 P HA 0.152 nan 4.420 nan 0.000 0.279 471 P C -0.934 176.365 177.300 -0.002 0.000 1.252 471 P CA -0.723 62.377 63.100 -0.001 0.000 0.811 471 P CB 0.807 32.502 31.700 -0.008 0.000 1.035 472 D N 0.929 121.329 120.400 0.000 0.000 2.341 472 D HA -0.011 4.629 4.640 -0.000 0.000 0.235 472 D C 1.206 177.503 176.300 -0.004 0.000 1.265 472 D CA 0.255 54.256 54.000 0.002 0.000 0.888 472 D CB 0.080 40.882 40.800 0.003 0.000 1.192 472 D HN 0.438 nan 8.370 nan 0.000 0.462 473 L N -1.002 120.221 121.223 -0.000 0.000 3.839 473 L HA -0.248 4.092 4.340 -0.000 0.000 0.416 473 L C -0.174 176.686 176.870 -0.018 0.000 1.195 473 L CA 0.677 55.515 54.840 -0.003 0.000 0.946 473 L CB -2.065 39.993 42.059 -0.003 0.000 1.891 473 L HN 0.311 nan 8.230 nan 0.000 0.963 474 T N -0.435 114.103 114.554 -0.027 0.000 2.879 474 T HA 0.807 5.157 4.350 -0.000 0.000 0.290 474 T C -0.056 174.599 174.700 -0.075 0.000 0.993 474 T CA 0.080 62.142 62.100 -0.064 0.000 0.975 474 T CB 2.131 70.954 68.868 -0.075 0.000 0.981 474 T HN 0.369 nan 8.240 nan 0.000 0.439 475 A N 2.558 125.308 122.820 -0.117 0.000 2.539 475 A HA 0.787 5.107 4.320 -0.000 0.000 0.296 475 A C -1.912 175.564 177.584 -0.179 0.000 1.073 475 A CA -0.798 51.185 52.037 -0.091 0.000 0.700 475 A CB 1.158 20.145 19.000 -0.022 0.000 1.296 475 A HN 0.784 nan 8.150 nan 0.000 0.405 476 Y N 0.579 120.865 120.300 -0.022 0.000 2.327 476 Y HA 0.468 5.018 4.550 0.000 0.000 0.336 476 Y C 0.146 176.003 175.900 -0.073 0.000 1.035 476 Y CA -0.030 58.051 58.100 -0.031 0.000 1.165 476 Y CB 1.815 40.265 38.460 -0.016 0.000 1.181 476 Y HN 0.364 nan 8.280 nan 0.000 0.494 477 V N 3.282 123.202 119.914 0.010 0.000 2.357 477 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 477 V C 0.183 176.159 176.094 -0.196 0.000 1.018 477 V CA -0.670 61.524 62.300 -0.175 0.000 0.841 477 V CB 1.396 33.038 31.823 -0.302 0.000 0.991 477 V HN 0.932 nan 8.190 nan 0.000 0.437 478 G N 4.500 113.179 108.800 -0.202 0.000 3.378 478 G HA2 0.546 4.506 3.960 -0.000 0.000 0.332 478 G HA3 0.546 4.506 3.960 -0.000 0.000 0.332 478 G C -0.658 174.197 174.900 -0.075 0.000 1.490 478 G CA -0.298 44.745 45.100 -0.095 0.000 1.068 478 G HN 0.351 nan 8.290 nan 0.000 0.492 479 F N 1.746 121.741 119.950 0.076 0.000 2.496 479 F HA 0.447 4.974 4.527 -0.000 0.000 0.344 479 F C 1.313 177.147 175.800 0.057 0.000 1.155 479 F CA -0.137 57.905 58.000 0.069 0.000 1.302 479 F CB 0.909 39.945 39.000 0.060 0.000 1.159 479 F HN 0.539 nan 8.300 nan 0.000 0.595 480 A N 1.736 124.730 122.820 0.290 0.000 2.507 480 A HA 0.488 4.808 4.320 -0.000 0.000 0.235 480 A C 0.829 178.486 177.584 0.121 0.000 1.070 480 A CA 0.462 52.594 52.037 0.159 0.000 0.768 480 A CB -0.774 18.296 19.000 0.115 0.000 1.011 480 A HN 1.659 nan 8.150 nan 0.000 0.502 481 G N 0.717 109.567 108.800 0.083 0.000 2.568 481 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.222 481 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.222 481 G C -0.023 174.917 174.900 0.067 0.000 1.321 481 G CA 0.202 45.339 45.100 0.062 0.000 0.893 481 G HN 1.634 nan 8.290 nan 0.000 0.569 482 N N 1.606 120.338 118.700 0.053 0.000 3.298 482 N HA 0.373 5.113 4.740 -0.000 0.000 0.292 482 N C 0.336 175.879 175.510 0.055 0.000 1.271 482 N CA 0.023 53.104 53.050 0.051 0.000 1.184 482 N CB -0.326 38.183 38.487 0.037 0.000 1.452 482 N HN 0.645 nan 8.380 nan 0.000 0.534 483 R N 1.106 121.653 120.500 0.079 0.000 2.744 483 R HA 0.546 4.886 4.340 -0.000 0.000 0.279 483 R C -2.634 173.719 176.300 0.089 0.000 0.977 483 R CA -1.707 54.447 56.100 0.091 0.000 0.906 483 R CB 1.107 31.495 30.300 0.147 0.000 1.197 483 R HN 0.265 nan 8.270 nan 0.000 0.463 484 P HA 0.211 nan 4.420 nan 0.000 0.274 484 P C -0.065 177.288 177.300 0.089 0.000 1.237 484 P CA -0.420 62.717 63.100 0.062 0.000 0.793 484 P CB 0.789 32.509 31.700 0.032 0.000 0.977 485 I N -1.873 118.752 120.570 0.092 0.000 2.783 485 I HA 0.816 4.986 4.170 -0.000 0.000 0.312 485 I C -0.522 175.671 176.117 0.128 0.000 0.988 485 I CA -1.172 60.188 61.300 0.100 0.000 1.182 485 I CB 1.588 39.658 38.000 0.117 0.000 1.368 485 I HN 0.404 nan 8.210 nan 0.000 0.511 486 A N 3.210 126.103 122.820 0.121 0.000 2.574 486 A HA 0.514 4.834 4.320 -0.000 0.000 0.297 486 A C -1.129 176.460 177.584 0.008 0.000 1.062 486 A CA -0.865 51.227 52.037 0.091 0.000 0.686 486 A CB 1.602 20.634 19.000 0.054 0.000 1.285 486 A HN 0.792 nan 8.150 nan 0.000 0.403 487 K N 1.975 122.317 120.400 -0.097 0.000 2.264 487 K HA 0.582 4.902 4.320 -0.000 0.000 0.277 487 K C -1.275 175.209 176.600 -0.195 0.000 1.067 487 K CA -0.170 55.892 56.287 -0.374 0.000 0.900 487 K CB 0.632 32.843 32.500 -0.481 0.000 1.124 487 K HN 0.467 nan 8.250 nan 0.000 0.469 488 V N 6.120 125.932 119.914 -0.169 0.000 2.715 488 V HA 0.496 4.616 4.120 -0.000 0.000 0.310 488 V C -2.241 173.804 176.094 -0.082 0.000 1.054 488 V CA -1.976 60.272 62.300 -0.088 0.000 0.928 488 V CB 1.809 33.607 31.823 -0.043 0.000 1.007 488 V HN 0.826 nan 8.190 nan 0.000 0.437 489 P HA 0.332 nan 4.420 nan 0.000 0.292 489 P C -1.015 176.275 177.300 -0.017 0.000 1.287 489 P CA -0.338 62.740 63.100 -0.038 0.000 0.800 489 P CB 1.534 33.217 31.700 -0.029 0.000 0.945 490 L N 3.607 124.823 121.223 -0.012 0.000 2.257 490 L HA 0.248 4.588 4.340 -0.000 0.000 0.290 490 L C 0.978 177.853 176.870 0.008 0.000 1.044 490 L CA -0.568 54.277 54.840 0.007 0.000 0.810 490 L CB 0.543 42.610 42.059 0.013 0.000 1.193 490 L HN 0.495 nan 8.230 nan 0.000 0.425 491 E N 5.721 125.929 120.200 0.014 0.000 2.249 491 E HA 0.266 4.616 4.350 -0.000 0.000 0.280 491 E C -0.735 175.868 176.600 0.005 0.000 1.016 491 E CA -0.674 55.728 56.400 0.002 0.000 0.830 491 E CB 1.351 31.049 29.700 -0.004 0.000 1.081 491 E HN 0.559 nan 8.360 nan 0.000 0.395 492 I N 4.173 124.737 120.570 -0.010 0.000 2.293 492 I HA 0.082 4.252 4.170 -0.000 0.000 0.299 492 I C 0.626 176.704 176.117 -0.066 0.000 1.153 492 I CA -0.212 61.081 61.300 -0.012 0.000 1.302 492 I CB -0.070 37.922 38.000 -0.014 0.000 1.460 492 I HN 0.502 nan 8.210 nan 0.000 0.552 493 K N 5.054 125.397 120.400 -0.094 0.000 2.237 493 K HA 0.184 4.503 4.320 -0.000 0.000 0.270 493 K C -0.195 176.121 176.600 -0.473 0.000 1.015 493 K CA -0.572 55.525 56.287 -0.317 0.000 0.949 493 K CB 0.799 33.031 32.500 -0.447 0.000 0.976 493 K HN 0.393 nan 8.250 nan 0.000 0.472 494 Q N 3.087 122.559 119.800 -0.547 0.000 2.257 494 Q HA 0.283 4.623 4.340 -0.000 0.000 0.255 494 Q C -1.128 174.484 176.000 -0.648 0.000 0.920 494 Q CA -0.118 55.431 55.803 -0.424 0.000 0.927 494 Q CB 0.988 29.588 28.738 -0.230 0.000 1.229 494 Q HN 0.410 nan 8.270 nan 0.000 0.433 495 F N 0.475 120.363 119.950 -0.103 0.000 2.493 495 F HA 0.520 5.047 4.527 0.000 0.000 0.329 495 F C 0.489 176.225 175.800 -0.106 0.000 1.126 495 F CA -1.131 56.805 58.000 -0.107 0.000 0.937 495 F CB 1.461 40.388 39.000 -0.121 0.000 1.146 495 F HN 0.486 nan 8.300 nan 0.000 0.442 496 A N 2.767 125.637 122.820 0.083 0.000 2.477 496 A HA 0.148 4.468 4.320 -0.000 0.000 0.246 496 A C 0.193 177.776 177.584 -0.002 0.000 1.078 496 A CA -0.427 51.625 52.037 0.025 0.000 0.770 496 A CB -0.098 18.917 19.000 0.026 0.000 1.011 496 A HN 0.898 nan 8.150 nan 0.000 0.494 497 N N 1.660 120.340 118.700 -0.033 0.000 2.739 497 N HA 0.072 4.812 4.740 -0.000 0.000 0.266 497 N C 0.619 176.094 175.510 -0.058 0.000 1.168 497 N CA -0.184 52.826 53.050 -0.067 0.000 1.055 497 N CB 0.349 38.795 38.487 -0.068 0.000 1.393 497 N HN 0.672 nan 8.380 nan 0.000 0.514 498 R N 1.547 122.013 120.500 -0.056 0.000 2.823 498 R HA 0.121 4.461 4.340 -0.000 0.000 0.250 498 R C -0.172 176.088 176.300 -0.066 0.000 1.332 498 R CA 0.049 56.126 56.100 -0.039 0.000 1.259 498 R CB -0.068 30.229 30.300 -0.004 0.000 1.225 498 R HN 0.478 nan 8.270 nan 0.000 0.545 499 Q N 0.513 120.262 119.800 -0.086 0.000 2.964 499 Q HA 0.118 4.458 4.340 -0.000 0.000 0.215 499 Q C -2.957 172.980 176.000 -0.105 0.000 1.019 499 Q CA -1.291 54.452 55.803 -0.100 0.000 0.990 499 Q CB 1.868 30.524 28.738 -0.136 0.000 2.131 499 Q HN 0.143 nan 8.270 nan 0.000 0.522 500 P HA 0.113 nan 4.420 nan 0.000 0.275 500 P C -0.360 176.897 177.300 -0.072 0.000 1.227 500 P CA 0.325 63.384 63.100 -0.069 0.000 0.781 500 P CB 1.275 32.940 31.700 -0.059 0.000 0.906 501 A N 3.396 126.191 122.820 -0.042 0.000 1.930 501 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 501 A C 0.650 178.293 177.584 0.097 0.000 1.175 501 A CA 1.237 53.260 52.037 -0.024 0.000 0.627 501 A CB -0.578 18.400 19.000 -0.036 0.000 0.815 501 A HN 0.579 nan 8.150 nan 0.000 0.443 502 F N -1.565 118.339 119.950 -0.076 0.000 2.588 502 F HA 0.586 5.113 4.527 -0.000 0.000 0.310 502 F C -1.326 174.454 175.800 -0.033 0.000 1.082 502 F CA -1.538 56.435 58.000 -0.046 0.000 0.929 502 F CB 2.129 41.109 39.000 -0.035 0.000 1.254 502 F HN -0.186 nan 8.300 nan 0.000 0.455 503 V N 5.137 124.605 119.914 -0.744 0.000 2.524 503 V HA 0.481 4.601 4.120 -0.000 0.000 0.297 503 V C -0.318 175.336 176.094 -0.734 0.000 1.035 503 V CA -0.563 61.402 62.300 -0.559 0.000 0.867 503 V CB 1.161 32.812 31.823 -0.287 0.000 1.004 503 V HN 0.945 nan 8.190 nan 0.000 0.426 504 E N 0.000 119.878 120.200 -0.536 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.207 56.400 -0.322 0.000 0.976 504 E CB 0.000 29.571 29.700 -0.215 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440