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_A 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 XXXXXXALER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVEGT 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 0.000 174.947 174.900 0.079 0.000 0.946 77 G CA 0.000 45.132 45.100 0.053 0.000 0.502 78 E N -0.164 120.118 120.200 0.138 0.000 2.474 78 E HA 0.253 4.603 4.350 -0.000 0.000 0.215 78 E C 0.010 176.762 176.600 0.253 0.000 0.867 78 E CA -0.507 55.986 56.400 0.156 0.000 1.135 78 E CB 0.382 30.169 29.700 0.145 0.000 1.147 78 E HN 0.303 nan 8.360 nan 0.000 0.534 79 F N 2.990 123.038 119.950 0.163 0.000 2.438 79 F HA 0.537 5.064 4.527 -0.000 0.000 0.356 79 F C 1.396 177.295 175.800 0.166 0.000 1.099 79 F CA -0.296 57.834 58.000 0.216 0.000 1.185 79 F CB 1.562 40.789 39.000 0.379 0.000 1.115 79 F HN -0.048 nan 8.300 nan 0.000 0.526 80 G N 4.473 113.031 108.800 -0.403 0.000 2.443 80 G HA2 0.036 3.995 3.960 -0.000 0.000 0.219 80 G HA3 0.036 3.995 3.960 -0.000 0.000 0.219 80 G C 0.879 175.369 174.900 -0.683 0.000 1.131 80 G CA 0.468 45.314 45.100 -0.423 0.000 0.775 80 G HN 0.989 nan 8.290 nan 0.000 0.547 81 G N -0.178 107.665 108.800 -1.596 0.000 2.516 81 G HA2 0.498 4.458 3.960 -0.000 0.000 0.276 81 G HA3 0.498 4.458 3.960 -0.000 0.000 0.276 81 G C 0.303 175.018 174.900 -0.309 0.000 1.390 81 G CA 0.068 44.635 45.100 -0.888 0.000 1.050 81 G HN 0.576 nan 8.290 nan 0.000 0.519 82 A N 0.195 123.069 122.820 0.089 0.000 2.477 82 A HA 0.534 4.854 4.320 -0.000 0.000 0.246 82 A C -1.941 175.893 177.584 0.416 0.000 1.078 82 A CA -0.692 51.465 52.037 0.200 0.000 0.770 82 A CB -0.238 18.873 19.000 0.184 0.000 1.011 82 A HN 0.421 nan 8.150 nan 0.000 0.494 83 P HA 0.333 nan 4.420 nan 0.000 0.268 83 P C -0.674 176.811 177.300 0.309 0.000 1.208 83 P CA 0.343 63.598 63.100 0.259 0.000 0.777 83 P CB 0.225 31.975 31.700 0.083 0.000 0.875 84 F N -0.708 119.328 119.950 0.144 0.000 2.611 84 F HA 0.616 5.143 4.527 -0.000 0.000 0.324 84 F C 1.210 177.037 175.800 0.046 0.000 1.061 84 F CA -1.215 56.828 58.000 0.072 0.000 0.954 84 F CB 1.190 40.197 39.000 0.011 0.000 1.301 84 F HN 0.146 nan 8.300 nan 0.000 0.482 85 K N 0.416 120.943 120.400 0.212 0.000 2.044 85 K HA 0.142 4.462 4.320 -0.000 0.000 0.204 85 K C 0.101 176.794 176.600 0.155 0.000 1.049 85 K CA 0.785 57.136 56.287 0.107 0.000 0.945 85 K CB 0.225 32.779 32.500 0.089 0.000 0.724 85 K HN 0.804 nan 8.250 nan 0.000 0.440 86 R N -0.061 120.616 120.500 0.294 0.000 2.651 86 R HA 0.155 4.495 4.340 -0.000 0.000 0.278 86 R C -1.880 174.605 176.300 0.308 0.000 1.010 86 R CA -0.650 55.614 56.100 0.272 0.000 0.896 86 R CB 1.108 31.482 30.300 0.123 0.000 1.211 86 R HN 0.003 nan 8.270 nan 0.000 0.456 87 F N 5.186 125.236 119.950 0.167 0.000 2.404 87 F HA 0.317 4.844 4.527 -0.000 0.000 0.345 87 F C -0.080 175.669 175.800 -0.085 0.000 1.110 87 F CA -0.385 57.588 58.000 -0.046 0.000 1.130 87 F CB 0.912 39.956 39.000 0.072 0.000 1.129 87 F HN 0.532 nan 8.300 nan 0.000 0.500 88 L N 4.095 124.875 121.223 -0.739 0.000 2.379 88 L HA 0.346 4.686 4.340 -0.000 0.000 0.190 88 L C -0.032 176.542 176.870 -0.493 0.000 1.111 88 L CA 0.023 54.595 54.840 -0.447 0.000 0.820 88 L CB -0.070 41.773 42.059 -0.360 0.000 1.046 88 L HN 0.614 nan 8.230 nan 0.000 0.485 89 R N -1.649 118.342 120.500 -0.848 0.000 2.747 89 R HA 0.710 5.050 4.340 -0.000 0.000 0.272 89 R C -0.503 175.576 176.300 -0.369 0.000 1.032 89 R CA -0.320 55.549 56.100 -0.386 0.000 0.896 89 R CB 0.456 30.666 30.300 -0.151 0.000 1.253 89 R HN 0.163 nan 8.270 nan 0.000 0.461 90 G N -0.224 108.591 108.800 0.024 0.000 2.500 90 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.209 90 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.209 90 G C -0.961 174.103 174.900 0.273 0.000 1.283 90 G CA -0.468 44.688 45.100 0.094 0.000 0.960 90 G HN 0.704 nan 8.290 nan 0.000 0.528 91 T N 2.285 116.959 114.554 0.199 0.000 2.870 91 T HA 0.503 4.853 4.350 -0.000 0.000 0.300 91 T C 0.760 175.643 174.700 0.306 0.000 0.989 91 T CA 0.416 62.629 62.100 0.188 0.000 1.139 91 T CB 0.230 69.148 68.868 0.083 0.000 0.920 91 T HN 0.712 nan 8.240 nan 0.000 0.537 92 R N 3.223 123.838 120.500 0.192 0.000 2.445 92 R HA 0.666 5.006 4.340 -0.000 0.000 0.308 92 R C -0.858 175.501 176.300 0.098 0.000 0.961 92 R CA -0.822 55.331 56.100 0.088 0.000 0.862 92 R CB 1.405 31.546 30.300 -0.265 0.000 1.144 92 R HN 0.569 nan 8.270 nan 0.000 0.447 93 I N 2.831 123.496 120.570 0.157 0.000 2.460 93 I HA 0.445 4.615 4.170 -0.000 0.000 0.298 93 I C -1.013 175.197 176.117 0.153 0.000 0.989 93 I CA -1.106 60.303 61.300 0.182 0.000 1.173 93 I CB 1.878 40.043 38.000 0.276 0.000 1.338 93 I HN 0.438 nan 8.210 nan 0.000 0.456 94 V N 5.307 125.296 119.914 0.126 0.000 3.102 94 V HA 0.448 4.568 4.120 -0.000 0.000 0.312 94 V C -0.240 175.908 176.094 0.089 0.000 1.135 94 V CA -0.514 61.841 62.300 0.092 0.000 1.022 94 V CB 2.697 34.556 31.823 0.059 0.000 1.056 94 V HN 0.878 nan 8.190 nan 0.000 0.436 95 S N 1.541 117.281 115.700 0.067 0.000 2.585 95 S HA 0.282 4.752 4.470 -0.000 0.000 0.273 95 S C 1.385 176.010 174.600 0.042 0.000 1.339 95 S CA 0.221 58.452 58.200 0.051 0.000 1.028 95 S CB 1.213 64.436 63.200 0.038 0.000 0.906 95 S HN 1.298 nan 8.310 nan 0.000 0.528 96 G N 2.079 110.895 108.800 0.027 0.000 2.529 96 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.219 96 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.219 96 G C 1.389 176.311 174.900 0.036 0.000 1.177 96 G CA 0.792 45.906 45.100 0.024 0.000 0.773 96 G HN 1.076 nan 8.290 nan 0.000 0.573 97 G N 0.411 109.229 108.800 0.029 0.000 2.422 97 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 97 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 97 G C 1.728 176.650 174.900 0.036 0.000 1.146 97 G CA 1.386 46.504 45.100 0.031 0.000 0.769 97 G HN 0.563 nan 8.290 nan 0.000 0.547 98 K N -0.373 120.048 120.400 0.036 0.000 2.097 98 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 98 K C 2.312 178.941 176.600 0.048 0.000 1.049 98 K CA 0.998 57.307 56.287 0.036 0.000 0.933 98 K CB -0.296 32.223 32.500 0.032 0.000 0.717 98 K HN 0.246 nan 8.250 nan 0.000 0.442 99 L N 1.388 122.650 121.223 0.064 0.000 2.056 99 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 99 L C 1.669 178.600 176.870 0.102 0.000 1.078 99 L CA 1.782 56.678 54.840 0.094 0.000 0.749 99 L CB -0.335 41.794 42.059 0.117 0.000 0.901 99 L HN 0.069 nan 8.230 nan 0.000 0.433 100 K N -0.820 119.633 120.400 0.088 0.000 2.103 100 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 100 K C 2.200 178.835 176.600 0.057 0.000 1.048 100 K CA 1.642 57.978 56.287 0.082 0.000 0.930 100 K CB -0.172 32.367 32.500 0.065 0.000 0.716 100 K HN 0.351 nan 8.250 nan 0.000 0.444 101 R N 0.312 120.839 120.500 0.045 0.000 2.062 101 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 101 R C 2.430 178.746 176.300 0.027 0.000 1.136 101 R CA 1.486 57.605 56.100 0.030 0.000 0.948 101 R CB -0.276 30.039 30.300 0.024 0.000 0.845 101 R HN 0.202 nan 8.270 nan 0.000 0.430 102 M N 0.313 119.934 119.600 0.035 0.000 2.080 102 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 102 M C 2.281 178.594 176.300 0.022 0.000 1.068 102 M CA 2.283 57.602 55.300 0.030 0.000 1.109 102 M CB -0.619 32.007 32.600 0.043 0.000 1.342 102 M HN 0.264 nan 8.290 nan 0.000 0.405 103 T N -2.244 112.330 114.554 0.032 0.000 3.113 103 T HA 0.059 4.409 4.350 -0.000 0.000 0.256 103 T C 0.860 175.541 174.700 -0.032 0.000 1.131 103 T CA -0.199 61.892 62.100 -0.015 0.000 1.074 103 T CB -0.207 68.649 68.868 -0.021 0.000 0.944 103 T HN 0.265 nan 8.240 nan 0.000 0.516 104 R N 1.405 121.903 120.500 -0.002 0.000 2.570 104 R HA 0.220 4.560 4.340 -0.000 0.000 0.277 104 R C -0.358 175.932 176.300 -0.016 0.000 1.039 104 R CA 0.373 56.470 56.100 -0.005 0.000 1.065 104 R CB 0.318 30.623 30.300 0.008 0.000 0.964 104 R HN 0.473 nan 8.270 nan 0.000 0.428 105 E N 1.965 122.153 120.200 -0.019 0.000 2.392 105 E HA 0.157 4.507 4.350 -0.000 0.000 0.269 105 E C 0.143 176.735 176.600 -0.013 0.000 0.924 105 E CA -0.950 55.438 56.400 -0.021 0.000 0.784 105 E CB 1.751 31.430 29.700 -0.034 0.000 1.292 105 E HN 0.547 nan 8.360 nan 0.000 0.447 106 K N 0.162 120.554 120.400 -0.013 0.000 1.985 106 K HA -0.034 4.286 4.320 -0.000 0.000 0.210 106 K C 1.045 177.640 176.600 -0.009 0.000 1.047 106 K CA 0.938 57.220 56.287 -0.010 0.000 0.932 106 K CB -0.588 31.905 32.500 -0.011 0.000 0.716 106 K HN 0.410 nan 8.250 nan 0.000 0.439 107 A N 2.208 125.021 122.820 -0.011 0.000 2.387 107 A HA 0.075 4.395 4.320 -0.000 0.000 0.251 107 A C -0.046 177.535 177.584 -0.005 0.000 1.113 107 A CA -0.177 51.855 52.037 -0.009 0.000 0.794 107 A CB 0.045 19.038 19.000 -0.011 0.000 1.069 107 A HN 0.240 nan 8.150 nan 0.000 0.506 108 K N 0.617 121.016 120.400 -0.001 0.000 2.350 108 K HA 0.227 4.547 4.320 -0.000 0.000 0.279 108 K C -0.161 176.446 176.600 0.012 0.000 1.027 108 K CA 0.397 56.685 56.287 0.002 0.000 0.969 108 K CB 0.430 32.931 32.500 0.001 0.000 0.954 108 K HN 0.718 nan 8.250 nan 0.000 0.474 109 Q N 0.601 120.408 119.800 0.012 0.000 2.496 109 Q HA 0.473 4.813 4.340 -0.000 0.000 0.286 109 Q C -0.672 175.348 176.000 0.033 0.000 1.103 109 Q CA -1.118 54.700 55.803 0.026 0.000 0.813 109 Q CB 2.087 30.829 28.738 0.007 0.000 1.444 109 Q HN 0.432 nan 8.270 nan 0.000 0.443 110 V N -2.130 117.821 119.914 0.062 0.000 2.975 110 V HA 0.820 4.940 4.120 -0.000 0.000 0.318 110 V C -0.176 175.959 176.094 0.069 0.000 1.077 110 V CA -0.736 61.587 62.300 0.038 0.000 1.000 110 V CB 1.456 33.294 31.823 0.025 0.000 1.066 110 V HN 0.929 nan 8.190 nan 0.000 0.452 111 T N -0.766 113.831 114.554 0.072 0.000 2.885 111 T HA 0.762 5.112 4.350 -0.000 0.000 0.285 111 T C -0.716 174.077 174.700 0.156 0.000 1.019 111 T CA -0.700 61.475 62.100 0.125 0.000 1.010 111 T CB 1.593 70.527 68.868 0.110 0.000 1.022 111 T HN 0.784 nan 8.240 nan 0.000 0.466 112 V N 2.329 122.376 119.914 0.221 0.000 2.326 112 V HA 0.653 4.772 4.120 -0.000 0.000 0.281 112 V C 0.811 176.981 176.094 0.125 0.000 1.015 112 V CA -0.241 62.175 62.300 0.193 0.000 0.823 112 V CB -0.026 31.952 31.823 0.258 0.000 1.009 112 V HN 1.600 nan 8.190 nan 0.000 0.436 113 A N 3.989 126.864 122.820 0.092 0.000 2.791 113 A HA 0.035 4.355 4.320 -0.000 0.000 0.292 113 A C 1.729 179.353 177.584 0.067 0.000 1.487 113 A CA 1.254 53.327 52.037 0.060 0.000 0.760 113 A CB -1.536 17.478 19.000 0.024 0.000 1.031 113 A HN 2.566 nan 8.150 nan 0.000 0.503 114 G N -3.594 105.259 108.800 0.088 0.000 2.184 114 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.264 114 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.264 114 G C 0.336 175.296 174.900 0.101 0.000 0.975 114 G CA 0.596 45.746 45.100 0.083 0.000 0.642 114 G HN 1.896 nan 8.290 nan 0.000 0.536 115 V N 3.012 123.013 119.914 0.144 0.000 2.370 115 V HA 0.458 4.578 4.120 -0.000 0.000 0.279 115 V C -1.507 174.729 176.094 0.236 0.000 1.029 115 V CA -1.695 60.726 62.300 0.201 0.000 0.870 115 V CB 1.730 33.716 31.823 0.272 0.000 0.984 115 V HN 0.197 nan 8.190 nan 0.000 0.451 116 P HA 0.036 nan 4.420 nan 0.000 0.267 116 P C -0.383 176.903 177.300 -0.024 0.000 1.209 116 P CA -0.037 63.106 63.100 0.071 0.000 0.763 116 P CB 0.630 32.349 31.700 0.031 0.000 0.816 117 M N 6.375 125.938 119.600 -0.061 0.000 2.162 117 M HA 0.308 4.787 4.480 -0.000 0.000 0.356 117 M C -2.383 173.695 176.300 -0.371 0.000 1.303 117 M CA -2.213 52.852 55.300 -0.392 0.000 1.116 117 M CB 0.729 33.305 32.600 -0.041 0.000 1.632 117 M HN 0.079 nan 8.290 nan 0.000 0.469 118 P HA -0.009 nan 4.420 nan 0.000 0.262 118 P C -0.041 177.148 177.300 -0.185 0.000 1.182 118 P CA 0.013 62.927 63.100 -0.310 0.000 0.761 118 P CB 0.409 31.911 31.700 -0.330 0.000 0.795 119 R N 3.413 123.846 120.500 -0.111 0.000 2.096 119 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 119 R C 1.426 177.672 176.300 -0.091 0.000 1.139 119 R CA 2.462 58.517 56.100 -0.075 0.000 0.952 119 R CB -1.278 28.988 30.300 -0.057 0.000 0.854 119 R HN 0.676 nan 8.270 nan 0.000 0.436 120 D N -0.178 120.166 120.400 -0.094 0.000 2.309 120 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 120 D C 1.452 177.689 176.300 -0.105 0.000 0.968 120 D CA 1.146 55.090 54.000 -0.094 0.000 0.882 120 D CB -0.036 40.719 40.800 -0.074 0.000 0.918 120 D HN 0.199 nan 8.370 nan 0.000 0.503 121 A N 0.172 122.930 122.820 -0.103 0.000 2.123 121 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 121 A C 1.982 179.519 177.584 -0.078 0.000 1.152 121 A CA 0.494 52.489 52.037 -0.071 0.000 0.728 121 A CB -0.390 18.579 19.000 -0.051 0.000 0.814 121 A HN 0.196 nan 8.150 nan 0.000 0.464 122 E N 0.279 120.417 120.200 -0.104 0.000 2.038 122 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 122 E C -0.807 175.583 176.600 -0.350 0.000 1.000 122 E CA 1.532 57.839 56.400 -0.155 0.000 0.803 122 E CB -0.689 28.901 29.700 -0.183 0.000 0.750 122 E HN 0.519 nan 8.360 nan 0.000 0.448 123 P HA -0.018 nan 4.420 nan 0.000 0.249 123 P C 0.296 177.138 177.300 -0.764 0.000 1.241 123 P CA 0.647 63.441 63.100 -0.511 0.000 0.781 123 P CB 0.294 31.790 31.700 -0.341 0.000 1.088 124 R N -0.952 119.207 120.500 -0.569 0.000 2.334 124 R HA 0.115 4.455 4.340 -0.000 0.000 0.216 124 R C 0.293 176.331 176.300 -0.436 0.000 0.905 124 R CA -0.151 55.669 56.100 -0.466 0.000 1.064 124 R CB -0.761 29.442 30.300 -0.160 0.000 1.046 124 R HN 0.377 nan 8.270 nan 0.000 0.508 125 H N -0.820 118.207 119.070 -0.072 0.000 4.618 125 H HA -0.202 4.354 4.556 -0.000 0.000 0.257 125 H C -0.760 174.682 175.328 0.190 0.000 0.545 125 H CA 0.375 56.410 56.048 -0.021 0.000 0.688 125 H CB -0.775 28.805 29.762 -0.304 0.000 0.965 125 H HN 0.102 nan 8.280 nan 0.000 0.303 126 L N 1.519 123.021 121.223 0.466 0.000 2.410 126 L HA 0.550 4.890 4.340 -0.000 0.000 0.270 126 L C -1.340 175.781 176.870 0.419 0.000 0.983 126 L CA -0.800 54.287 54.840 0.412 0.000 0.822 126 L CB 1.628 43.888 42.059 0.334 0.000 1.285 126 L HN 0.499 nan 8.230 nan 0.000 0.409 127 L N 6.061 127.415 121.223 0.219 0.000 2.298 127 L HA 0.615 4.954 4.340 -0.000 0.000 0.284 127 L C -1.143 175.717 176.870 -0.016 0.000 1.013 127 L CA -0.253 54.540 54.840 -0.079 0.000 0.824 127 L CB 1.695 43.567 42.059 -0.312 0.000 1.221 127 L HN 0.409 nan 8.230 nan 0.000 0.418 128 V N 5.164 125.074 119.914 -0.005 0.000 2.288 128 V HA 0.371 4.490 4.120 -0.000 0.000 0.266 128 V C 0.009 176.102 176.094 -0.002 0.000 1.048 128 V CA -0.591 61.722 62.300 0.023 0.000 0.842 128 V CB 0.719 32.582 31.823 0.067 0.000 1.064 128 V HN 0.809 nan 8.190 nan 0.000 0.472 129 N N 3.386 122.081 118.700 -0.008 0.000 2.438 129 N HA 0.734 5.474 4.740 -0.000 0.000 0.282 129 N C -0.130 175.388 175.510 0.013 0.000 1.037 129 N CA 0.245 53.289 53.050 -0.010 0.000 0.942 129 N CB 1.598 40.072 38.487 -0.022 0.000 1.136 129 N HN 0.842 nan 8.380 nan 0.000 0.481 130 G N 0.798 109.608 108.800 0.016 0.000 2.691 130 G HA2 0.558 4.518 3.960 -0.000 0.000 0.298 130 G HA3 0.558 4.518 3.960 -0.000 0.000 0.298 130 G C -1.122 173.791 174.900 0.022 0.000 1.471 130 G CA -0.364 44.750 45.100 0.024 0.000 0.912 130 G HN 0.726 nan 8.290 nan 0.000 0.553 131 A N 0.770 123.603 122.820 0.022 0.000 2.475 131 A HA 0.596 4.916 4.320 -0.000 0.000 0.239 131 A C 1.164 178.760 177.584 0.020 0.000 1.087 131 A CA 0.932 52.981 52.037 0.020 0.000 0.779 131 A CB 0.195 19.206 19.000 0.018 0.000 1.036 131 A HN 1.794 nan 8.150 nan 0.000 0.506 132 T N 0.032 114.598 114.554 0.019 0.000 2.867 132 T HA 0.419 4.769 4.350 -0.000 0.000 0.297 132 T C 1.279 175.989 174.700 0.016 0.000 0.989 132 T CA 1.517 63.629 62.100 0.019 0.000 1.159 132 T CB -0.477 68.402 68.868 0.018 0.000 0.928 132 T HN 2.393 nan 8.240 nan 0.000 0.538 133 G N 3.286 112.095 108.800 0.016 0.000 2.137 133 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.237 133 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.237 133 G C 0.726 175.634 174.900 0.013 0.000 1.002 133 G CA 0.927 46.034 45.100 0.012 0.000 0.702 133 G HN 1.278 nan 8.290 nan 0.000 0.515 134 T N -3.517 111.047 114.554 0.017 0.000 3.014 134 T HA 0.490 4.840 4.350 -0.000 0.000 0.250 134 T C 1.967 176.679 174.700 0.019 0.000 1.060 134 T CA 1.534 63.644 62.100 0.017 0.000 1.040 134 T CB 0.794 69.675 68.868 0.021 0.000 0.971 134 T HN 2.047 nan 8.240 nan 0.000 0.497 135 G N 1.153 109.967 108.800 0.024 0.000 2.234 135 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.153 135 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.153 135 G C 0.755 175.679 174.900 0.040 0.000 1.013 135 G CA 0.115 45.232 45.100 0.029 0.000 0.712 135 G HN 0.416 nan 8.290 nan 0.000 0.491 136 K N 0.810 121.235 120.400 0.042 0.000 2.044 136 K HA -0.096 4.224 4.320 -0.000 0.000 0.210 136 K C 2.587 179.225 176.600 0.063 0.000 1.049 136 K CA 1.861 58.181 56.287 0.055 0.000 0.927 136 K CB -0.233 32.300 32.500 0.055 0.000 0.713 136 K HN 0.315 nan 8.250 nan 0.000 0.443 137 S N 0.707 116.437 115.700 0.050 0.000 2.368 137 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 137 S C 2.140 176.767 174.600 0.044 0.000 1.030 137 S CA 1.084 59.309 58.200 0.042 0.000 0.999 137 S CB -0.207 63.007 63.200 0.023 0.000 0.844 137 S HN 0.052 nan 8.310 nan 0.000 0.459 138 V N 2.020 121.964 119.914 0.051 0.000 2.295 138 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 138 V C 2.201 178.343 176.094 0.080 0.000 1.049 138 V CA 1.681 64.024 62.300 0.071 0.000 1.024 138 V CB -0.584 31.276 31.823 0.062 0.000 0.648 138 V HN 0.422 nan 8.190 nan 0.000 0.447 139 L N -0.980 120.286 121.223 0.072 0.000 2.012 139 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 139 L C 2.324 179.247 176.870 0.089 0.000 1.073 139 L CA 1.729 56.618 54.840 0.082 0.000 0.748 139 L CB -0.171 41.935 42.059 0.079 0.000 0.891 139 L HN 0.239 nan 8.230 nan 0.000 0.431 140 L N -0.308 120.969 121.223 0.089 0.000 2.093 140 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 140 L C 2.703 179.509 176.870 -0.106 0.000 1.085 140 L CA 1.560 56.452 54.840 0.086 0.000 0.755 140 L CB -0.669 41.472 42.059 0.137 0.000 0.904 140 L HN 0.199 nan 8.230 nan 0.000 0.435 141 R N -0.456 120.010 120.500 -0.057 0.000 2.081 141 R HA -0.207 4.133 4.340 -0.000 0.000 0.235 141 R C 2.285 178.527 176.300 -0.096 0.000 1.131 141 R CA 1.665 57.718 56.100 -0.079 0.000 0.960 141 R CB -0.125 30.176 30.300 0.002 0.000 0.856 141 R HN 0.497 nan 8.270 nan 0.000 0.436 142 E N 0.483 120.710 120.200 0.045 0.000 2.077 142 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 142 E C 2.060 178.684 176.600 0.041 0.000 0.989 142 E CA 0.999 57.483 56.400 0.140 0.000 0.800 142 E CB -0.140 29.659 29.700 0.166 0.000 0.746 142 E HN 0.364 nan 8.360 nan 0.000 0.452 143 L N 0.498 121.710 121.223 -0.018 0.000 1.989 143 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 143 L C 2.671 179.385 176.870 -0.259 0.000 1.071 143 L CA 1.478 56.280 54.840 -0.063 0.000 0.749 143 L CB -0.493 41.623 42.059 0.094 0.000 0.890 143 L HN 0.309 nan 8.230 nan 0.000 0.431 144 A N -0.822 121.702 122.820 -0.494 0.000 1.892 144 A HA -0.343 3.977 4.320 -0.000 0.000 0.218 144 A C 2.122 179.336 177.584 -0.618 0.000 1.188 144 A CA 2.090 53.657 52.037 -0.783 0.000 0.631 144 A CB -1.178 17.178 19.000 -1.074 0.000 0.822 144 A HN 0.595 nan 8.150 nan 0.000 0.447 145 Y N 1.839 121.662 120.300 -0.795 0.000 2.053 145 Y HA -0.282 4.268 4.550 -0.000 0.000 0.277 145 Y C 2.925 178.598 175.900 -0.379 0.000 1.159 145 Y CA 2.942 60.561 58.100 -0.801 0.000 1.125 145 Y CB -1.055 37.059 38.460 -0.576 0.000 0.969 145 Y HN 0.445 nan 8.280 nan 0.000 0.492 146 T N -2.382 111.932 114.554 -0.400 0.000 2.881 146 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 146 T C 2.149 176.661 174.700 -0.314 0.000 1.068 146 T CA 1.209 63.077 62.100 -0.387 0.000 1.131 146 T CB -1.281 67.510 68.868 -0.130 0.000 0.871 146 T HN 0.441 nan 8.240 nan 0.000 0.479 147 G N 1.290 109.890 108.800 -0.334 0.000 2.403 147 G HA2 0.048 4.008 3.960 -0.000 0.000 0.216 147 G HA3 0.048 4.008 3.960 -0.000 0.000 0.216 147 G C 1.512 176.306 174.900 -0.177 0.000 1.154 147 G CA 0.480 45.421 45.100 -0.265 0.000 0.784 147 G HN 0.524 nan 8.290 nan 0.000 0.538 148 L N 0.016 121.073 121.223 -0.276 0.000 2.093 148 L HA 0.060 4.399 4.340 -0.000 0.000 0.208 148 L C 2.815 179.576 176.870 -0.182 0.000 1.085 148 L CA 0.398 55.121 54.840 -0.196 0.000 0.755 148 L CB -0.310 41.598 42.059 -0.252 0.000 0.904 148 L HN 0.176 nan 8.230 nan 0.000 0.435 149 L N -0.518 120.521 121.223 -0.307 0.000 2.131 149 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 149 L C 2.611 179.405 176.870 -0.126 0.000 1.092 149 L CA 1.103 55.794 54.840 -0.248 0.000 0.759 149 L CB -0.449 41.387 42.059 -0.372 0.000 0.903 149 L HN 0.246 nan 8.230 nan 0.000 0.435 150 R N 0.219 120.659 120.500 -0.100 0.000 2.299 150 R HA -0.001 4.339 4.340 -0.000 0.000 0.197 150 R C 1.137 177.437 176.300 -0.000 0.000 0.971 150 R CA 0.663 56.745 56.100 -0.030 0.000 1.030 150 R CB 0.111 30.417 30.300 0.010 0.000 0.932 150 R HN 0.401 nan 8.270 nan 0.000 0.477 151 G N 1.247 110.042 108.800 -0.008 0.000 2.137 151 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 151 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 151 G C -0.708 174.225 174.900 0.054 0.000 1.002 151 G CA 0.243 45.353 45.100 0.018 0.000 0.702 151 G HN 0.404 nan 8.290 nan 0.000 0.515 152 D N 0.003 120.463 120.400 0.099 0.000 2.344 152 D HA 0.436 5.076 4.640 -0.000 0.000 0.244 152 D C 1.081 177.489 176.300 0.181 0.000 1.134 152 D CA -0.092 54.015 54.000 0.179 0.000 0.930 152 D CB 0.799 41.836 40.800 0.394 0.000 1.175 152 D HN 0.391 nan 8.370 nan 0.000 0.437 153 R N 0.390 120.990 120.500 0.167 0.000 2.532 153 R HA 0.694 5.034 4.340 -0.000 0.000 0.272 153 R C 0.250 176.715 176.300 0.276 0.000 1.032 153 R CA -0.535 55.656 56.100 0.152 0.000 1.089 153 R CB 1.059 31.367 30.300 0.013 0.000 1.098 153 R HN 0.508 nan 8.270 nan 0.000 0.526 154 M N -1.520 118.254 119.600 0.290 0.000 2.643 154 M HA 0.399 4.879 4.480 -0.000 0.000 0.276 154 M C -1.592 174.893 176.300 0.310 0.000 1.200 154 M CA -1.152 54.362 55.300 0.356 0.000 0.863 154 M CB 1.899 34.747 32.600 0.412 0.000 1.711 154 M HN 0.193 nan 8.290 nan 0.000 0.492 155 V N 2.826 122.919 119.914 0.299 0.000 2.409 155 V HA 0.588 4.708 4.120 -0.000 0.000 0.291 155 V C -0.589 175.593 176.094 0.147 0.000 1.020 155 V CA -0.414 61.987 62.300 0.168 0.000 0.848 155 V CB 1.777 33.718 31.823 0.197 0.000 0.990 155 V HN 0.729 nan 8.190 nan 0.000 0.430 156 I N 4.872 125.428 120.570 -0.023 0.000 2.382 156 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 156 I C -0.218 175.976 176.117 0.127 0.000 1.002 156 I CA -0.843 60.490 61.300 0.054 0.000 1.135 156 I CB 2.089 39.983 38.000 -0.176 0.000 1.288 156 I HN 0.272 nan 8.210 nan 0.000 0.448 157 V N 4.960 125.017 119.914 0.239 0.000 2.364 157 V HA 0.022 4.142 4.120 -0.000 0.000 0.252 157 V C -0.116 176.170 176.094 0.321 0.000 1.075 157 V CA 0.211 62.721 62.300 0.350 0.000 1.033 157 V CB 0.196 32.233 31.823 0.358 0.000 1.116 157 V HN 0.631 nan 8.190 nan 0.000 0.488 158 D N 7.298 127.845 120.400 0.244 0.000 2.427 158 D HA 0.395 5.034 4.640 -0.000 0.000 0.226 158 D C -2.718 173.332 176.300 -0.417 0.000 1.076 158 D CA -2.138 51.868 54.000 0.009 0.000 0.849 158 D CB 1.927 42.801 40.800 0.122 0.000 1.052 158 D HN 0.249 nan 8.370 nan 0.000 0.515 159 P HA 0.174 nan 4.420 nan 0.000 0.271 159 P C -0.198 176.705 177.300 -0.662 0.000 1.216 159 P CA -0.173 62.226 63.100 -1.168 0.000 0.771 159 P CB 0.481 31.797 31.700 -0.641 0.000 0.864 160 N N 2.351 120.630 118.700 -0.701 0.000 2.713 160 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 160 N C 0.860 176.219 175.510 -0.252 0.000 1.117 160 N CA 1.685 54.497 53.050 -0.396 0.000 0.770 160 N CB -1.831 36.480 38.487 -0.294 0.000 1.137 160 N HN 0.883 nan 8.380 nan 0.000 0.566 161 G N 0.417 109.076 108.800 -0.235 0.000 2.283 161 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.280 161 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.280 161 G C 0.634 175.453 174.900 -0.135 0.000 1.029 161 G CA 1.297 46.327 45.100 -0.118 0.000 0.840 161 G HN 0.644 nan 8.290 nan 0.000 0.505 162 D N -0.408 119.899 120.400 -0.156 0.000 2.078 162 D HA -0.109 4.531 4.640 -0.000 0.000 0.193 162 D C 2.605 178.783 176.300 -0.203 0.000 0.990 162 D CA 1.653 55.553 54.000 -0.166 0.000 0.827 162 D CB -0.105 40.604 40.800 -0.151 0.000 0.975 162 D HN 0.338 nan 8.370 nan 0.000 0.451 163 M N -0.211 119.320 119.600 -0.114 0.000 2.159 163 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 163 M C 2.275 178.552 176.300 -0.038 0.000 1.063 163 M CA 0.710 55.971 55.300 -0.065 0.000 1.110 163 M CB -0.760 31.958 32.600 0.196 0.000 1.374 163 M HN 0.254 nan 8.290 nan 0.000 0.411 164 L N 0.902 122.076 121.223 -0.082 0.000 2.017 164 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 164 L C 2.628 179.213 176.870 -0.474 0.000 1.073 164 L CA 2.412 56.877 54.840 -0.626 0.000 0.745 164 L CB -0.865 40.912 42.059 -0.470 0.000 0.894 164 L HN 0.398 nan 8.230 nan 0.000 0.432 165 S N -1.669 113.841 115.700 -0.316 0.000 2.474 165 S HA -0.099 4.371 4.470 -0.000 0.000 0.235 165 S C 1.772 176.193 174.600 -0.299 0.000 0.997 165 S CA 0.687 58.732 58.200 -0.258 0.000 0.949 165 S CB -0.410 62.679 63.200 -0.185 0.000 0.766 165 S HN 0.496 nan 8.310 nan 0.000 0.517 166 K N 0.313 120.423 120.400 -0.482 0.000 2.190 166 K HA 0.263 4.582 4.320 -0.000 0.000 0.202 166 K C 0.666 176.922 176.600 -0.574 0.000 1.045 166 K CA 0.688 56.564 56.287 -0.685 0.000 0.976 166 K CB -0.293 31.408 32.500 -1.332 0.000 0.849 166 K HN 0.556 nan 8.250 nan 0.000 0.468 167 F N 0.847 120.773 119.950 -0.039 0.000 2.706 167 F HA 0.329 4.856 4.527 -0.000 0.000 0.313 167 F C 1.132 176.962 175.800 0.050 0.000 1.096 167 F CA -1.188 56.843 58.000 0.053 0.000 1.219 167 F CB -0.361 38.709 39.000 0.116 0.000 1.051 167 F HN -0.171 nan 8.300 nan 0.000 0.568 168 G N 1.430 110.155 108.800 -0.125 0.000 2.343 168 G HA2 0.448 4.408 3.960 -0.000 0.000 0.254 168 G HA3 0.448 4.408 3.960 -0.000 0.000 0.254 168 G C 0.081 174.926 174.900 -0.091 0.000 1.277 168 G CA -0.237 44.663 45.100 -0.334 0.000 0.909 168 G HN 0.158 nan 8.290 nan 0.000 0.502 169 R N 1.145 121.651 120.500 0.010 0.000 2.843 169 R HA 0.411 4.751 4.340 -0.000 0.000 0.232 169 R C 0.446 176.756 176.300 0.017 0.000 1.305 169 R CA -0.739 55.385 56.100 0.040 0.000 1.096 169 R CB 0.773 31.131 30.300 0.097 0.000 1.455 169 R HN 0.411 nan 8.270 nan 0.000 0.520 170 D N 0.282 120.700 120.400 0.030 0.000 2.194 170 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 170 D C 1.004 177.334 176.300 0.050 0.000 0.964 170 D CA 1.132 55.145 54.000 0.022 0.000 0.846 170 D CB 0.114 40.926 40.800 0.020 0.000 0.962 170 D HN 0.440 nan 8.370 nan 0.000 0.490 171 K N 0.398 120.846 120.400 0.080 0.000 2.486 171 K HA 0.020 4.340 4.320 -0.000 0.000 0.194 171 K C -0.142 176.556 176.600 0.162 0.000 1.033 171 K CA 0.306 56.660 56.287 0.111 0.000 1.004 171 K CB 0.191 32.758 32.500 0.111 0.000 0.798 171 K HN -0.053 nan 8.250 nan 0.000 0.495 172 D N 1.387 121.883 120.400 0.159 0.000 2.313 172 D HA 0.173 4.812 4.640 -0.000 0.000 0.247 172 D C 0.123 176.509 176.300 0.145 0.000 1.094 172 D CA -0.299 53.840 54.000 0.231 0.000 0.925 172 D CB 0.934 41.911 40.800 0.295 0.000 1.188 172 D HN -0.041 nan 8.370 nan 0.000 0.430 173 I N 1.600 122.260 120.570 0.150 0.000 2.488 173 I HA 0.364 4.534 4.170 -0.000 0.000 0.299 173 I C 0.429 176.474 176.117 -0.120 0.000 0.984 173 I CA -0.484 60.759 61.300 -0.094 0.000 1.250 173 I CB 0.973 38.764 38.000 -0.349 0.000 1.389 173 I HN 0.181 nan 8.210 nan 0.000 0.488 174 I N 6.101 126.523 120.570 -0.246 0.000 2.466 174 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 174 I C -0.789 175.116 176.117 -0.353 0.000 1.026 174 I CA -0.522 60.657 61.300 -0.200 0.000 1.078 174 I CB 2.287 40.211 38.000 -0.127 0.000 1.249 174 I HN 0.219 nan 8.210 nan 0.000 0.429 175 L N 6.679 127.661 121.223 -0.403 0.000 2.318 175 L HA 0.526 4.866 4.340 -0.000 0.000 0.277 175 L C -0.642 176.078 176.870 -0.250 0.000 1.008 175 L CA -0.293 54.160 54.840 -0.644 0.000 0.846 175 L CB 1.116 42.341 42.059 -1.390 0.000 1.220 175 L HN 0.560 nan 8.230 nan 0.000 0.423 176 N N 5.405 124.113 118.700 0.013 0.000 2.905 176 N HA 0.151 4.891 4.740 -0.000 0.000 0.255 176 N C -2.343 173.327 175.510 0.267 0.000 1.199 176 N CA -0.992 52.233 53.050 0.291 0.000 0.911 176 N CB 2.443 41.106 38.487 0.294 0.000 1.550 176 N HN 0.099 nan 8.380 nan 0.000 0.599 177 P HA -0.119 nan 4.420 nan 0.000 0.220 177 P C 0.369 177.526 177.300 -0.238 0.000 1.144 177 P CA 1.324 64.430 63.100 0.010 0.000 0.800 177 P CB 0.133 31.781 31.700 -0.087 0.000 0.772 178 Y N -1.175 119.258 120.300 0.221 0.000 2.458 178 Y HA 0.259 4.809 4.550 -0.000 0.000 0.256 178 Y C 1.051 177.054 175.900 0.172 0.000 1.159 178 Y CA -0.589 57.654 58.100 0.239 0.000 1.261 178 Y CB -0.043 38.626 38.460 0.348 0.000 1.119 178 Y HN -0.062 nan 8.280 nan 0.000 0.524 179 D N 0.789 121.313 120.400 0.207 0.000 2.232 179 D HA 0.024 4.663 4.640 -0.000 0.000 0.242 179 D C 0.922 177.164 176.300 -0.097 0.000 1.093 179 D CA -0.064 53.904 54.000 -0.054 0.000 0.845 179 D CB 1.660 42.487 40.800 0.045 0.000 1.124 179 D HN 0.221 nan 8.370 nan 0.000 0.467 180 Q N 3.261 122.954 119.800 -0.178 0.000 2.248 180 Q HA -0.183 4.157 4.340 -0.000 0.000 0.208 180 Q C 1.217 177.160 176.000 -0.094 0.000 0.984 180 Q CA 1.534 57.264 55.803 -0.123 0.000 0.875 180 Q CB 0.252 28.906 28.738 -0.140 0.000 0.910 180 Q HN 0.403 nan 8.270 nan 0.000 0.433 181 R N -0.233 120.204 120.500 -0.105 0.000 2.313 181 R HA 0.071 4.411 4.340 -0.000 0.000 0.199 181 R C 0.683 176.925 176.300 -0.098 0.000 0.958 181 R CA 0.460 56.504 56.100 -0.093 0.000 1.047 181 R CB 0.004 30.243 30.300 -0.101 0.000 0.955 181 R HN 0.086 nan 8.270 nan 0.000 0.481 182 T N 1.223 115.724 114.554 -0.089 0.000 2.903 182 T HA 0.008 4.358 4.350 -0.000 0.000 0.314 182 T C 0.280 174.905 174.700 -0.125 0.000 1.078 182 T CA -0.104 61.925 62.100 -0.117 0.000 1.114 182 T CB 0.486 69.320 68.868 -0.057 0.000 0.987 182 T HN -0.078 nan 8.240 nan 0.000 0.548 183 K N 2.386 122.652 120.400 -0.223 0.000 2.102 183 K HA 0.428 4.747 4.320 -0.000 0.000 0.244 183 K C 0.609 177.206 176.600 -0.005 0.000 1.021 183 K CA -0.462 55.723 56.287 -0.170 0.000 0.913 183 K CB 0.525 32.746 32.500 -0.464 0.000 1.062 183 K HN 0.768 nan 8.250 nan 0.000 0.485 184 G N 0.114 108.981 108.800 0.113 0.000 2.372 184 G HA2 0.368 4.328 3.960 -0.000 0.000 0.283 184 G HA3 0.368 4.328 3.960 -0.000 0.000 0.283 184 G C -1.457 173.664 174.900 0.368 0.000 1.177 184 G CA -0.376 44.841 45.100 0.194 0.000 0.842 184 G HN 0.570 nan 8.290 nan 0.000 0.503 185 W N 1.490 122.903 121.300 0.189 0.000 3.213 185 W HA 0.619 5.279 4.660 -0.000 0.000 0.318 185 W C -0.678 176.026 176.519 0.309 0.000 1.248 185 W CA -0.759 56.753 57.345 0.277 0.000 1.187 185 W CB 2.156 31.826 29.460 0.350 0.000 1.403 185 W HN 0.807 nan 8.180 nan 0.000 0.556 186 S N 3.531 118.711 115.700 -0.867 0.000 2.537 186 S HA 0.308 4.778 4.470 -0.000 0.000 0.271 186 S C 0.068 173.725 174.600 -1.572 0.000 1.148 186 S CA -0.373 57.322 58.200 -0.842 0.000 0.868 186 S CB 0.286 63.389 63.200 -0.162 0.000 1.115 186 S HN 0.921 nan 8.310 nan 0.000 0.461 187 F N 2.658 121.870 119.950 -1.231 0.000 2.546 187 F HA 0.239 4.766 4.527 -0.000 0.000 0.298 187 F C 1.156 176.663 175.800 -0.488 0.000 1.120 187 F CA 0.485 58.058 58.000 -0.712 0.000 1.456 187 F CB -0.805 38.061 39.000 -0.223 0.000 1.088 187 F HN 0.532 nan 8.300 nan 0.000 0.572 188 F N 1.676 120.956 119.950 -1.116 0.000 2.126 188 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 188 F C 1.962 177.406 175.800 -0.593 0.000 1.096 188 F CA 1.532 59.002 58.000 -0.883 0.000 1.255 188 F CB -0.732 37.945 39.000 -0.537 0.000 0.997 188 F HN 0.006 nan 8.300 nan 0.000 0.479 189 N N 0.142 118.651 118.700 -0.317 0.000 2.513 189 N HA -0.147 4.593 4.740 -0.000 0.000 0.187 189 N C 1.249 176.618 175.510 -0.235 0.000 1.056 189 N CA 0.972 53.883 53.050 -0.233 0.000 0.907 189 N CB -0.356 38.014 38.487 -0.196 0.000 0.954 189 N HN 0.377 nan 8.380 nan 0.000 0.445 190 E N -0.208 119.776 120.200 -0.359 0.000 2.460 190 E HA 0.110 4.460 4.350 -0.000 0.000 0.200 190 E C 0.307 176.607 176.600 -0.500 0.000 1.011 190 E CA -0.135 55.989 56.400 -0.459 0.000 0.912 190 E CB 0.588 29.796 29.700 -0.821 0.000 0.953 190 E HN 0.222 nan 8.360 nan 0.000 0.494 191 I N 1.702 121.963 120.570 -0.515 0.000 2.533 191 I HA 0.049 4.219 4.170 -0.000 0.000 0.284 191 I C 1.283 177.182 176.117 -0.364 0.000 1.109 191 I CA 0.594 61.558 61.300 -0.559 0.000 1.412 191 I CB 0.546 37.970 38.000 -0.961 0.000 1.396 191 I HN -0.031 nan 8.210 nan 0.000 0.543 192 R N 3.388 123.705 120.500 -0.304 0.000 2.573 192 R HA 0.248 4.588 4.340 -0.000 0.000 0.224 192 R C 0.004 176.207 176.300 -0.161 0.000 0.904 192 R CA 0.023 56.011 56.100 -0.187 0.000 0.995 192 R CB 0.684 30.912 30.300 -0.119 0.000 1.430 192 R HN 0.631 nan 8.270 nan 0.000 0.631 193 N N -0.550 117.993 118.700 -0.261 0.000 2.697 193 N HA 0.036 4.776 4.740 -0.000 0.000 0.272 193 N C -0.471 174.930 175.510 -0.181 0.000 1.381 193 N CA -0.429 52.517 53.050 -0.172 0.000 0.797 193 N CB 1.500 39.886 38.487 -0.168 0.000 1.523 193 N HN -0.179 nan 8.380 nan 0.000 0.518 194 D N -0.152 120.276 120.400 0.046 0.000 2.144 194 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 194 D C 1.702 178.122 176.300 0.200 0.000 0.978 194 D CA 1.460 55.585 54.000 0.208 0.000 0.833 194 D CB -0.038 40.911 40.800 0.249 0.000 0.961 194 D HN 0.653 nan 8.370 nan 0.000 0.470 195 Y N -0.829 119.543 120.300 0.121 0.000 2.569 195 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 195 Y C 1.268 177.219 175.900 0.085 0.000 1.144 195 Y CA 0.636 58.797 58.100 0.101 0.000 1.321 195 Y CB -0.475 38.019 38.460 0.056 0.000 0.982 195 Y HN -0.128 nan 8.280 nan 0.000 0.558 196 D N 0.215 120.351 120.400 -0.441 0.000 2.269 196 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 196 D C 1.330 177.620 176.300 -0.016 0.000 0.963 196 D CA 1.009 54.831 54.000 -0.297 0.000 0.864 196 D CB -0.431 40.163 40.800 -0.344 0.000 0.936 196 D HN 0.562 nan 8.370 nan 0.000 0.505 197 W N 1.293 122.657 121.300 0.105 0.000 2.353 197 W HA -0.194 4.466 4.660 -0.000 0.000 0.319 197 W C 2.720 179.330 176.519 0.152 0.000 1.207 197 W CA 0.679 58.124 57.345 0.167 0.000 1.291 197 W CB -0.531 29.002 29.460 0.120 0.000 1.159 197 W HN -0.042 nan 8.180 nan 0.000 0.478 198 Q N 1.161 121.163 119.800 0.337 0.000 2.084 198 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 198 Q C 2.197 178.264 176.000 0.111 0.000 0.978 198 Q CA 1.987 57.909 55.803 0.198 0.000 0.844 198 Q CB -0.550 28.279 28.738 0.152 0.000 0.898 198 Q HN 0.208 nan 8.270 nan 0.000 0.426 199 R N -1.177 119.353 120.500 0.050 0.000 2.113 199 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 199 R C 1.384 177.512 176.300 -0.288 0.000 1.142 199 R CA 2.047 58.054 56.100 -0.155 0.000 0.953 199 R CB -0.350 29.775 30.300 -0.292 0.000 0.860 199 R HN 0.475 nan 8.270 nan 0.000 0.438 200 Y N -1.150 119.226 120.300 0.127 0.000 2.482 200 Y HA 0.243 4.793 4.550 -0.000 0.000 0.270 200 Y C 1.981 177.921 175.900 0.066 0.000 1.152 200 Y CA 0.237 58.429 58.100 0.153 0.000 1.292 200 Y CB 0.396 39.007 38.460 0.251 0.000 1.070 200 Y HN 0.207 nan 8.280 nan 0.000 0.528 201 A N -0.303 122.607 122.820 0.150 0.000 2.016 201 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 201 A C 1.880 179.465 177.584 0.001 0.000 1.162 201 A CA 0.950 52.993 52.037 0.011 0.000 0.662 201 A CB -0.493 18.556 19.000 0.082 0.000 0.812 201 A HN 0.332 nan 8.150 nan 0.000 0.450 202 L N 0.019 121.261 121.223 0.031 0.000 2.275 202 L HA -0.014 4.326 4.340 -0.000 0.000 0.215 202 L C 2.298 179.187 176.870 0.031 0.000 1.119 202 L CA 1.835 56.686 54.840 0.019 0.000 0.790 202 L CB -0.777 41.284 42.059 0.004 0.000 0.919 202 L HN 0.344 nan 8.230 nan 0.000 0.443 203 S N -1.924 113.817 115.700 0.067 0.000 2.441 203 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 203 S C 1.961 176.612 174.600 0.085 0.000 1.043 203 S CA 0.599 58.870 58.200 0.119 0.000 0.948 203 S CB 0.112 63.470 63.200 0.263 0.000 0.810 203 S HN 0.196 nan 8.310 nan 0.000 0.504 204 V N 1.596 121.511 119.914 0.002 0.000 2.427 204 V HA 0.011 4.131 4.120 -0.000 0.000 0.248 204 V C 0.721 176.771 176.094 -0.073 0.000 1.051 204 V CA 1.018 63.245 62.300 -0.121 0.000 1.048 204 V CB -0.326 31.206 31.823 -0.485 0.000 0.666 204 V HN 0.277 nan 8.190 nan 0.000 0.456 205 V N 3.304 123.184 119.914 -0.056 0.000 2.266 205 V HA 0.315 4.434 4.120 -0.000 0.000 0.271 205 V C -2.064 174.030 176.094 0.000 0.000 1.032 205 V CA -1.720 60.570 62.300 -0.017 0.000 0.806 205 V CB 0.884 32.702 31.823 -0.009 0.000 1.052 205 V HN 0.307 nan 8.190 nan 0.000 0.449 206 P HA 0.122 nan 4.420 nan 0.000 0.272 206 P C -0.148 177.140 177.300 -0.021 0.000 1.254 206 P CA -0.435 62.659 63.100 -0.009 0.000 0.795 206 P CB 0.791 32.476 31.700 -0.024 0.000 1.022 207 R N -0.299 120.177 120.500 -0.039 0.000 2.679 207 R HA 0.253 4.593 4.340 -0.000 0.000 0.268 207 R C 1.020 177.279 176.300 -0.068 0.000 1.044 207 R CA 0.206 56.276 56.100 -0.051 0.000 1.105 207 R CB -0.679 29.587 30.300 -0.057 0.000 0.989 207 R HN 0.623 nan 8.270 nan 0.000 0.447 208 G N 0.947 109.709 108.800 -0.063 0.000 2.527 208 G HA2 0.016 3.976 3.960 -0.000 0.000 0.248 208 G HA3 0.016 3.976 3.960 -0.000 0.000 0.248 208 G C 0.825 175.670 174.900 -0.092 0.000 1.231 208 G CA -0.393 44.667 45.100 -0.066 0.000 0.838 208 G HN 0.631 nan 8.290 nan 0.000 0.570 209 K N -0.226 120.125 120.400 -0.082 0.000 2.026 209 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 209 K C 1.439 177.988 176.600 -0.086 0.000 1.048 209 K CA 1.578 57.814 56.287 -0.086 0.000 0.929 209 K CB -0.161 32.303 32.500 -0.060 0.000 0.713 209 K HN 0.624 nan 8.250 nan 0.000 0.439 210 T N -1.897 112.591 114.554 -0.109 0.000 2.950 210 T HA 0.179 4.529 4.350 -0.000 0.000 0.288 210 T C 0.491 175.084 174.700 -0.179 0.000 1.035 210 T CA -0.933 61.090 62.100 -0.129 0.000 1.028 210 T CB 1.512 70.296 68.868 -0.138 0.000 1.109 210 T HN -0.034 nan 8.240 nan 0.000 0.514 211 D N 0.391 120.693 120.400 -0.164 0.000 2.116 211 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 211 D C 1.685 177.811 176.300 -0.290 0.000 0.998 211 D CA 1.594 55.485 54.000 -0.181 0.000 0.836 211 D CB -0.046 40.672 40.800 -0.136 0.000 0.951 211 D HN 0.872 nan 8.370 nan 0.000 0.449 212 E N 0.231 120.204 120.200 -0.378 0.000 2.106 212 E HA -0.122 4.227 4.350 -0.000 0.000 0.192 212 E C 1.976 177.917 176.600 -1.099 0.000 0.984 212 E CA 0.880 56.888 56.400 -0.653 0.000 0.806 212 E CB 0.044 29.377 29.700 -0.612 0.000 0.750 212 E HN 0.173 nan 8.360 nan 0.000 0.458 213 A N 0.940 123.281 122.820 -0.798 0.000 1.969 213 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 213 A C 1.991 179.419 177.584 -0.260 0.000 1.169 213 A CA 1.687 53.396 52.037 -0.546 0.000 0.635 213 A CB -0.413 18.474 19.000 -0.188 0.000 0.810 213 A HN 0.267 nan 8.150 nan 0.000 0.445 214 E N 0.385 120.429 120.200 -0.260 0.000 2.152 214 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 214 E C 1.869 178.348 176.600 -0.203 0.000 0.983 214 E CA 1.462 57.764 56.400 -0.164 0.000 0.818 214 E CB -0.301 29.313 29.700 -0.144 0.000 0.758 214 E HN 0.697 nan 8.360 nan 0.000 0.467 215 E N -0.684 119.317 120.200 -0.331 0.000 2.077 215 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 215 E C 1.456 177.831 176.600 -0.376 0.000 0.989 215 E CA 1.318 57.477 56.400 -0.402 0.000 0.800 215 E CB -0.214 29.244 29.700 -0.403 0.000 0.746 215 E HN 0.375 nan 8.360 nan 0.000 0.452 216 W N 0.541 121.762 121.300 -0.131 0.000 2.355 216 W HA -0.053 4.607 4.660 -0.000 0.000 0.309 216 W C 2.526 179.057 176.519 0.021 0.000 1.206 216 W CA 0.904 58.273 57.345 0.040 0.000 1.284 216 W CB -1.367 28.158 29.460 0.107 0.000 1.145 216 W HN 0.212 nan 8.180 nan 0.000 0.502 217 A N 1.134 124.078 122.820 0.207 0.000 1.892 217 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 217 A C 2.283 179.911 177.584 0.073 0.000 1.188 217 A CA 3.534 55.644 52.037 0.122 0.000 0.631 217 A CB -1.373 17.658 19.000 0.052 0.000 0.822 217 A HN 0.310 nan 8.150 nan 0.000 0.447 218 S N -1.205 114.477 115.700 -0.030 0.000 2.370 218 S HA -0.245 4.225 4.470 -0.000 0.000 0.226 218 S C 1.930 176.579 174.600 0.082 0.000 1.033 218 S CA 1.567 59.741 58.200 -0.043 0.000 1.011 218 S CB -0.995 62.106 63.200 -0.165 0.000 0.852 218 S HN 0.667 nan 8.310 nan 0.000 0.457 219 Y N 1.934 122.350 120.300 0.194 0.000 2.181 219 Y HA 0.011 4.561 4.550 -0.000 0.000 0.288 219 Y C 3.068 179.128 175.900 0.267 0.000 1.146 219 Y CA 0.351 58.625 58.100 0.289 0.000 1.164 219 Y CB -0.822 37.846 38.460 0.347 0.000 0.982 219 Y HN 0.478 nan 8.280 nan 0.000 0.515 220 G N 0.267 109.262 108.800 0.325 0.000 2.418 220 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 220 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 220 G C 1.638 176.624 174.900 0.145 0.000 1.158 220 G CA 0.660 45.876 45.100 0.192 0.000 0.771 220 G HN 0.302 nan 8.290 nan 0.000 0.545 221 R N -0.488 120.089 120.500 0.129 0.000 2.092 221 R HA 0.037 4.377 4.340 -0.000 0.000 0.231 221 R C 2.454 178.826 176.300 0.120 0.000 1.119 221 R CA 1.002 57.156 56.100 0.090 0.000 0.970 221 R CB -0.581 29.759 30.300 0.067 0.000 0.864 221 R HN 0.392 nan 8.270 nan 0.000 0.440 222 L N 1.343 122.668 121.223 0.170 0.000 1.989 222 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 222 L C 2.118 179.105 176.870 0.196 0.000 1.071 222 L CA 1.609 56.544 54.840 0.159 0.000 0.749 222 L CB -0.741 41.417 42.059 0.166 0.000 0.890 222 L HN 0.110 nan 8.230 nan 0.000 0.431 223 L N -0.881 120.530 121.223 0.314 0.000 2.042 223 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 223 L C 2.328 179.262 176.870 0.106 0.000 1.076 223 L CA 2.029 57.010 54.840 0.233 0.000 0.749 223 L CB -0.936 41.172 42.059 0.082 0.000 0.893 223 L HN 0.467 nan 8.230 nan 0.000 0.432 224 L N 0.298 121.573 121.223 0.087 0.000 1.994 224 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 224 L C 2.863 179.778 176.870 0.075 0.000 1.071 224 L CA 2.338 57.213 54.840 0.058 0.000 0.745 224 L CB -0.862 41.193 42.059 -0.007 0.000 0.892 224 L HN 0.521 nan 8.230 nan 0.000 0.431 225 R N -1.055 119.494 120.500 0.080 0.000 2.081 225 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 225 R C 1.822 178.034 176.300 -0.147 0.000 1.131 225 R CA 1.563 57.703 56.100 0.067 0.000 0.960 225 R CB -0.823 29.560 30.300 0.139 0.000 0.856 225 R HN 0.364 nan 8.270 nan 0.000 0.436 226 E N 0.630 120.770 120.200 -0.099 0.000 2.107 226 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 226 E C 2.041 178.519 176.600 -0.203 0.000 0.982 226 E CA 1.715 58.007 56.400 -0.181 0.000 0.809 226 E CB -0.318 29.311 29.700 -0.119 0.000 0.756 226 E HN 0.425 nan 8.360 nan 0.000 0.459 227 T N 1.203 115.710 114.554 -0.078 0.000 2.777 227 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 227 T C 1.924 176.691 174.700 0.111 0.000 1.040 227 T CA 1.348 63.471 62.100 0.038 0.000 1.141 227 T CB -0.119 68.855 68.868 0.177 0.000 0.868 227 T HN 0.244 nan 8.240 nan 0.000 0.444 228 A N 1.440 124.298 122.820 0.062 0.000 1.930 228 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 228 A C 2.233 179.702 177.584 -0.191 0.000 1.175 228 A CA 1.493 53.622 52.037 0.153 0.000 0.627 228 A CB -0.448 18.679 19.000 0.211 0.000 0.815 228 A HN 0.403 nan 8.150 nan 0.000 0.443 229 K N -0.093 119.856 120.400 -0.751 0.000 2.032 229 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 229 K C 2.206 178.599 176.600 -0.344 0.000 1.048 229 K CA 1.908 57.591 56.287 -1.007 0.000 0.927 229 K CB -0.169 31.733 32.500 -0.996 0.000 0.712 229 K HN 0.473 nan 8.250 nan 0.000 0.441 230 K N 0.755 121.008 120.400 -0.244 0.000 2.025 230 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 230 K C 2.186 178.814 176.600 0.046 0.000 1.049 230 K CA 1.066 57.260 56.287 -0.154 0.000 0.933 230 K CB -0.088 32.185 32.500 -0.379 0.000 0.714 230 K HN 0.101 nan 8.250 nan 0.000 0.438 231 L N 0.634 121.974 121.223 0.195 0.000 2.013 231 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 231 L C 2.658 179.591 176.870 0.105 0.000 1.073 231 L CA 1.475 56.462 54.840 0.244 0.000 0.753 231 L CB -0.622 41.629 42.059 0.320 0.000 0.890 231 L HN 0.351 nan 8.230 nan 0.000 0.432 232 A N -0.365 122.525 122.820 0.117 0.000 1.902 232 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 232 A C 2.292 179.917 177.584 0.070 0.000 1.181 232 A CA 1.342 53.433 52.037 0.089 0.000 0.623 232 A CB -0.690 18.533 19.000 0.371 0.000 0.818 232 A HN 0.355 nan 8.150 nan 0.000 0.443 233 L N 0.318 121.578 121.223 0.061 0.000 1.989 233 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 233 L C 2.357 179.246 176.870 0.031 0.000 1.071 233 L CA 2.438 57.301 54.840 0.037 0.000 0.749 233 L CB -0.503 41.553 42.059 -0.005 0.000 0.890 233 L HN 0.703 nan 8.230 nan 0.000 0.431 234 I N -2.577 118.018 120.570 0.042 0.000 3.528 234 I HA 0.134 4.304 4.170 -0.000 0.000 0.298 234 I C 1.173 177.312 176.117 0.036 0.000 1.281 234 I CA 0.714 62.044 61.300 0.049 0.000 1.269 234 I CB -0.908 37.146 38.000 0.091 0.000 1.013 234 I HN 0.422 nan 8.210 nan 0.000 0.512 235 G N 2.253 111.064 108.800 0.017 0.000 2.143 235 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 235 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 235 G C 0.390 175.270 174.900 -0.033 0.000 0.991 235 G CA 0.474 45.569 45.100 -0.009 0.000 0.689 235 G HN 0.798 nan 8.290 nan 0.000 0.522 236 T N -1.655 112.879 114.554 -0.032 0.000 3.514 236 T HA 0.601 4.951 4.350 -0.000 0.000 0.259 236 T C -1.961 172.653 174.700 -0.143 0.000 1.466 236 T CA -1.059 61.008 62.100 -0.054 0.000 1.562 236 T CB 1.990 70.867 68.868 0.015 0.000 0.924 236 T HN 0.177 nan 8.240 nan 0.000 0.678 237 P HA 0.180 nan 4.420 nan 0.000 0.238 237 P C -0.175 176.665 177.300 -0.767 0.000 1.729 237 P CA 0.131 62.648 63.100 -0.970 0.000 1.055 237 P CB -0.206 30.820 31.700 -1.123 0.000 1.980 238 S N 2.183 117.745 115.700 -0.230 0.000 2.437 238 S HA 0.345 4.815 4.470 -0.000 0.000 0.305 238 S C 1.369 176.138 174.600 0.282 0.000 1.109 238 S CA -0.705 57.509 58.200 0.024 0.000 1.099 238 S CB 0.545 63.767 63.200 0.037 0.000 1.004 238 S HN -0.046 nan 8.310 nan 0.000 0.475 239 M N 3.998 123.795 119.600 0.328 0.000 2.229 239 M HA 0.044 4.524 4.480 -0.000 0.000 0.264 239 M C 1.995 178.479 176.300 0.306 0.000 1.063 239 M CA 1.296 56.827 55.300 0.385 0.000 1.114 239 M CB -1.216 31.574 32.600 0.316 0.000 1.387 239 M HN 0.723 nan 8.290 nan 0.000 0.420 240 R N 0.075 120.703 120.500 0.213 0.000 2.073 240 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 240 R C 2.179 178.617 176.300 0.230 0.000 1.134 240 R CA 1.245 57.457 56.100 0.186 0.000 0.952 240 R CB 0.030 30.387 30.300 0.094 0.000 0.850 240 R HN 0.243 nan 8.270 nan 0.000 0.433 241 E N 0.430 120.742 120.200 0.186 0.000 2.077 241 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 241 E C 1.928 178.703 176.600 0.291 0.000 0.989 241 E CA 0.843 57.348 56.400 0.175 0.000 0.800 241 E CB -0.290 29.505 29.700 0.159 0.000 0.746 241 E HN 0.162 nan 8.360 nan 0.000 0.452 242 L N 0.357 121.796 121.223 0.360 0.000 2.012 242 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 242 L C 2.269 179.328 176.870 0.316 0.000 1.073 242 L CA 1.633 56.705 54.840 0.387 0.000 0.748 242 L CB -0.813 41.510 42.059 0.440 0.000 0.891 242 L HN 0.089 nan 8.230 nan 0.000 0.431 243 F N -0.680 119.372 119.950 0.171 0.000 2.186 243 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 243 F C 2.601 178.445 175.800 0.073 0.000 1.090 243 F CA 1.862 59.929 58.000 0.111 0.000 1.307 243 F CB -0.301 38.764 39.000 0.107 0.000 1.019 243 F HN 0.457 nan 8.300 nan 0.000 0.489 244 H N -1.210 117.877 119.070 0.029 0.000 2.293 244 H HA -0.217 4.338 4.556 -0.000 0.000 0.300 244 H C 2.083 177.266 175.328 -0.243 0.000 1.082 244 H CA 2.461 58.399 56.048 -0.184 0.000 1.308 244 H CB -1.047 28.561 29.762 -0.256 0.000 1.375 244 H HN 0.425 nan 8.280 nan 0.000 0.495 245 W N 0.552 121.592 121.300 -0.433 0.000 2.358 245 W HA -0.167 4.493 4.660 -0.000 0.000 0.303 245 W C 2.692 179.016 176.519 -0.325 0.000 1.208 245 W CA 1.773 58.851 57.345 -0.445 0.000 1.274 245 W CB -0.277 29.014 29.460 -0.281 0.000 1.138 245 W HN 0.425 nan 8.180 nan 0.000 0.515 246 T N -4.219 110.330 114.554 -0.007 0.000 3.088 246 T HA -0.036 4.314 4.350 -0.000 0.000 0.259 246 T C 1.277 175.823 174.700 -0.257 0.000 1.122 246 T CA 1.438 63.475 62.100 -0.105 0.000 1.095 246 T CB -0.341 68.498 68.868 -0.049 0.000 0.930 246 T HN 0.185 nan 8.240 nan 0.000 0.508 247 T N -2.306 112.002 114.554 -0.411 0.000 3.046 247 T HA 0.403 4.753 4.350 -0.000 0.000 0.270 247 T C 1.297 175.759 174.700 -0.397 0.000 0.920 247 T CA -0.392 61.429 62.100 -0.464 0.000 0.874 247 T CB 0.150 68.595 68.868 -0.704 0.000 1.214 247 T HN 0.231 nan 8.240 nan 0.000 0.536 248 I N 1.684 122.011 120.570 -0.404 0.000 3.443 248 I HA 0.487 4.657 4.170 -0.000 0.000 0.277 248 I C 1.654 177.613 176.117 -0.262 0.000 1.169 248 I CA 0.054 61.197 61.300 -0.261 0.000 1.419 248 I CB -1.205 36.738 38.000 -0.096 0.000 1.331 248 I HN 0.333 nan 8.210 nan 0.000 0.458 249 A N 2.512 125.025 122.820 -0.512 0.000 2.587 249 A HA 0.186 4.506 4.320 -0.000 0.000 0.233 249 A C 0.946 178.471 177.584 -0.098 0.000 1.049 249 A CA 0.443 52.264 52.037 -0.360 0.000 0.754 249 A CB -0.511 18.259 19.000 -0.383 0.000 0.977 249 A HN 0.541 nan 8.150 nan 0.000 0.509 250 T N 0.197 114.744 114.554 -0.012 0.000 2.903 250 T HA 0.169 4.519 4.350 -0.000 0.000 0.314 250 T C 0.875 175.646 174.700 0.119 0.000 1.078 250 T CA 0.233 62.366 62.100 0.056 0.000 1.114 250 T CB 0.058 68.963 68.868 0.061 0.000 0.987 250 T HN 0.449 nan 8.240 nan 0.000 0.548 251 F N 1.833 121.747 119.950 -0.059 0.000 2.063 251 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 251 F C 1.950 177.738 175.800 -0.019 0.000 1.105 251 F CA 2.456 60.418 58.000 -0.063 0.000 1.215 251 F CB -0.676 38.278 39.000 -0.077 0.000 0.972 251 F HN 0.679 nan 8.300 nan 0.000 0.483 252 D N -0.203 120.297 120.400 0.165 0.000 2.084 252 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 252 D C 2.001 178.347 176.300 0.077 0.000 0.990 252 D CA 1.602 55.657 54.000 0.092 0.000 0.826 252 D CB -0.690 40.167 40.800 0.095 0.000 0.971 252 D HN 0.270 nan 8.370 nan 0.000 0.453 253 D N 0.417 120.895 120.400 0.130 0.000 2.133 253 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 253 D C 2.250 178.701 176.300 0.252 0.000 0.997 253 D CA 0.390 54.533 54.000 0.238 0.000 0.840 253 D CB -0.348 40.641 40.800 0.315 0.000 0.947 253 D HN 0.190 nan 8.370 nan 0.000 0.452 254 L N 0.779 122.106 121.223 0.173 0.000 1.989 254 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 254 L C 2.662 179.481 176.870 -0.084 0.000 1.071 254 L CA 1.279 56.156 54.840 0.061 0.000 0.749 254 L CB -0.056 41.958 42.059 -0.075 0.000 0.890 254 L HN -0.039 nan 8.230 nan 0.000 0.431 255 R N -0.338 120.087 120.500 -0.124 0.000 2.103 255 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 255 R C 2.100 178.343 176.300 -0.095 0.000 1.142 255 R CA 1.467 57.493 56.100 -0.122 0.000 0.960 255 R CB -0.986 29.255 30.300 -0.098 0.000 0.858 255 R HN 0.557 nan 8.270 nan 0.000 0.439 256 G N 0.690 109.461 108.800 -0.047 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 1.241 176.074 174.900 -0.111 0.000 1.183 256 G CA 0.518 45.595 45.100 -0.039 0.000 0.776 256 G HN 0.305 nan 8.290 nan 0.000 0.552 257 F N 1.282 121.005 119.950 -0.378 0.000 2.250 257 F HA 0.047 4.574 4.527 -0.000 0.000 0.301 257 F C 2.279 177.820 175.800 -0.432 0.000 1.077 257 F CA 0.857 58.481 58.000 -0.625 0.000 1.348 257 F CB -0.113 37.983 39.000 -1.507 0.000 1.040 257 F HN 0.050 nan 8.300 nan 0.000 0.509 258 L N -0.190 120.760 121.223 -0.455 0.000 2.240 258 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 258 L C 0.779 177.451 176.870 -0.330 0.000 1.106 258 L CA 0.301 54.890 54.840 -0.418 0.000 0.793 258 L CB -0.679 41.258 42.059 -0.204 0.000 0.927 258 L HN -0.037 nan 8.230 nan 0.000 0.446 259 E N 0.477 120.526 120.200 -0.252 0.000 2.652 259 E HA 0.028 4.378 4.350 -0.000 0.000 0.255 259 E C 1.032 177.505 176.600 -0.211 0.000 0.952 259 E CA 0.696 56.987 56.400 -0.181 0.000 0.947 259 E CB 0.192 29.815 29.700 -0.128 0.000 0.912 259 E HN 0.393 nan 8.360 nan 0.000 0.489 260 G N 2.850 111.548 108.800 -0.169 0.000 2.238 260 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 260 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 260 G C 0.455 175.249 174.900 -0.177 0.000 0.996 260 G CA 0.149 45.152 45.100 -0.162 0.000 0.632 260 G HN 0.677 nan 8.290 nan 0.000 0.503 261 T N -0.876 113.549 114.554 -0.214 0.000 2.944 261 T HA 0.701 5.051 4.350 -0.000 0.000 0.284 261 T C 1.654 176.259 174.700 -0.157 0.000 1.010 261 T CA -0.202 61.774 62.100 -0.206 0.000 1.025 261 T CB 1.684 70.392 68.868 -0.267 0.000 1.079 261 T HN 0.264 nan 8.240 nan 0.000 0.516 262 L N 0.625 121.765 121.223 -0.138 0.000 2.261 262 L HA -0.006 4.334 4.340 -0.000 0.000 0.216 262 L C 2.804 179.587 176.870 -0.145 0.000 1.114 262 L CA 1.316 56.084 54.840 -0.120 0.000 0.777 262 L CB -0.734 41.265 42.059 -0.099 0.000 0.910 262 L HN 0.923 nan 8.230 nan 0.000 0.440 263 A N -0.754 121.976 122.820 -0.151 0.000 2.238 263 A HA -0.098 4.222 4.320 -0.000 0.000 0.208 263 A C 2.121 179.632 177.584 -0.123 0.000 1.177 263 A CA 0.439 52.376 52.037 -0.167 0.000 0.804 263 A CB -0.305 18.670 19.000 -0.042 0.000 0.823 263 A HN 0.447 nan 8.150 nan 0.000 0.482 264 E N 0.203 120.328 120.200 -0.126 0.000 2.021 264 E HA -0.193 4.157 4.350 -0.000 0.000 0.200 264 E C 1.799 178.351 176.600 -0.081 0.000 1.015 264 E CA 1.876 58.213 56.400 -0.105 0.000 0.824 264 E CB -0.086 29.547 29.700 -0.110 0.000 0.762 264 E HN 0.520 nan 8.360 nan 0.000 0.454 265 S N 0.045 115.689 115.700 -0.094 0.000 2.458 265 S HA 0.081 4.551 4.470 -0.000 0.000 0.223 265 S C 1.921 176.458 174.600 -0.106 0.000 1.019 265 S CA 0.021 58.175 58.200 -0.078 0.000 0.937 265 S CB -0.015 63.145 63.200 -0.068 0.000 0.788 265 S HN 0.236 nan 8.310 nan 0.000 0.511 266 L N 0.149 121.257 121.223 -0.191 0.000 2.081 266 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 266 L C 0.998 177.675 176.870 -0.322 0.000 1.080 266 L CA 1.473 56.129 54.840 -0.308 0.000 0.754 266 L CB -0.459 41.306 42.059 -0.491 0.000 0.893 266 L HN 0.326 nan 8.230 nan 0.000 0.433 267 F N -0.225 119.663 119.950 -0.104 0.000 2.798 267 F HA 0.428 4.955 4.527 -0.000 0.000 0.291 267 F C 0.606 176.343 175.800 -0.105 0.000 1.174 267 F CA -0.574 57.347 58.000 -0.132 0.000 1.392 267 F CB 0.170 39.062 39.000 -0.181 0.000 0.966 267 F HN -0.010 nan 8.300 nan 0.000 0.509 268 A N -0.920 121.940 122.820 0.067 0.000 2.612 268 A HA 0.655 4.975 4.320 -0.000 0.000 0.293 268 A C 0.502 178.100 177.584 0.023 0.000 1.075 268 A CA -0.011 52.054 52.037 0.047 0.000 0.680 268 A CB 0.969 19.984 19.000 0.025 0.000 1.279 268 A HN 0.452 nan 8.150 nan 0.000 0.411 269 G N -0.660 108.156 108.800 0.028 0.000 2.201 269 G HA2 0.297 4.257 3.960 -0.000 0.000 0.212 269 G HA3 0.297 4.257 3.960 -0.000 0.000 0.212 269 G C 0.333 175.245 174.900 0.021 0.000 0.994 269 G CA 0.790 45.900 45.100 0.017 0.000 0.644 269 G HN 2.724 nan 8.290 nan 0.000 0.508 270 S N -1.587 114.132 115.700 0.032 0.000 2.615 270 S HA 0.561 5.031 4.470 -0.000 0.000 0.268 270 S C 0.524 175.149 174.600 0.042 0.000 1.146 270 S CA 0.183 58.402 58.200 0.031 0.000 0.818 270 S CB 0.719 63.934 63.200 0.025 0.000 1.111 270 S HN -0.007 nan 8.310 nan 0.000 0.465 271 N N 0.981 119.703 118.700 0.036 0.000 2.120 271 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 271 N C 1.506 177.045 175.510 0.048 0.000 1.024 271 N CA 1.803 54.876 53.050 0.039 0.000 0.852 271 N CB -0.623 37.882 38.487 0.029 0.000 1.003 271 N HN 0.800 nan 8.380 nan 0.000 0.424 272 E N 1.433 121.661 120.200 0.046 0.000 2.070 272 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 272 E C 1.822 178.443 176.600 0.035 0.000 1.004 272 E CA 1.622 58.052 56.400 0.050 0.000 0.805 272 E CB -0.462 29.268 29.700 0.050 0.000 0.744 272 E HN 0.314 nan 8.360 nan 0.000 0.451 273 A N -0.139 122.704 122.820 0.039 0.000 1.892 273 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 273 A C 2.493 180.144 177.584 0.112 0.000 1.188 273 A CA 2.299 54.369 52.037 0.056 0.000 0.631 273 A CB -0.982 18.052 19.000 0.056 0.000 0.822 273 A HN 0.321 nan 8.150 nan 0.000 0.447 274 S N -0.686 115.088 115.700 0.123 0.000 2.368 274 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 274 S C 2.014 176.713 174.600 0.164 0.000 1.030 274 S CA 1.563 59.889 58.200 0.210 0.000 0.999 274 S CB -0.257 63.058 63.200 0.190 0.000 0.844 274 S HN 0.679 nan 8.310 nan 0.000 0.459 275 K N 1.477 121.926 120.400 0.083 0.000 2.026 275 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 275 K C 2.249 178.874 176.600 0.042 0.000 1.048 275 K CA 1.265 57.591 56.287 0.065 0.000 0.929 275 K CB -0.388 32.158 32.500 0.077 0.000 0.713 275 K HN 0.290 nan 8.250 nan 0.000 0.439 276 A N 1.886 124.675 122.820 -0.051 0.000 1.908 276 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 276 A C 2.171 179.646 177.584 -0.181 0.000 1.181 276 A CA 1.393 53.236 52.037 -0.323 0.000 0.627 276 A CB -0.702 17.856 19.000 -0.736 0.000 0.818 276 A HN 0.446 nan 8.150 nan 0.000 0.445 277 L N -0.600 120.494 121.223 -0.215 0.000 2.046 277 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 277 L C 2.605 179.313 176.870 -0.270 0.000 1.077 277 L CA 2.208 56.646 54.840 -0.671 0.000 0.747 277 L CB -0.664 40.973 42.059 -0.704 0.000 0.896 277 L HN 0.414 nan 8.230 nan 0.000 0.432 278 T N -0.768 113.807 114.554 0.035 0.000 2.788 278 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 278 T C 2.026 176.709 174.700 -0.029 0.000 1.044 278 T CA 1.561 63.668 62.100 0.012 0.000 1.139 278 T CB -0.059 68.817 68.868 0.012 0.000 0.867 278 T HN 0.372 nan 8.240 nan 0.000 0.454 279 S N 1.409 117.133 115.700 0.041 0.000 2.356 279 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 279 S C 2.619 177.291 174.600 0.121 0.000 1.032 279 S CA 0.983 59.224 58.200 0.068 0.000 1.005 279 S CB -0.644 62.687 63.200 0.220 0.000 0.867 279 S HN 0.600 nan 8.310 nan 0.000 0.449 280 A N 2.602 125.481 122.820 0.098 0.000 1.892 280 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 280 A C 2.182 179.749 177.584 -0.028 0.000 1.188 280 A CA 1.394 53.471 52.037 0.067 0.000 0.631 280 A CB -0.557 18.404 19.000 -0.064 0.000 0.822 280 A HN 0.320 nan 8.150 nan 0.000 0.447 281 R N -1.289 119.120 120.500 -0.152 0.000 2.094 281 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 281 R C 2.011 178.225 176.300 -0.143 0.000 1.137 281 R CA 1.818 57.789 56.100 -0.214 0.000 0.943 281 R CB -1.136 28.961 30.300 -0.339 0.000 0.850 281 R HN 0.649 nan 8.270 nan 0.000 0.433 282 F N 0.743 120.646 119.950 -0.078 0.000 2.065 282 F HA -0.271 4.255 4.527 -0.000 0.000 0.298 282 F C 2.726 178.505 175.800 -0.035 0.000 1.112 282 F CA 1.229 59.181 58.000 -0.080 0.000 1.212 282 F CB -0.577 38.330 39.000 -0.154 0.000 0.975 282 F HN -0.203 nan 8.300 nan 0.000 0.476 283 V N 0.028 120.055 119.914 0.188 0.000 2.231 283 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 283 V C 2.239 178.400 176.094 0.111 0.000 1.054 283 V CA 1.676 64.065 62.300 0.148 0.000 1.015 283 V CB -0.742 31.180 31.823 0.165 0.000 0.638 283 V HN 0.213 nan 8.190 nan 0.000 0.444 284 L N 0.941 122.209 121.223 0.076 0.000 2.127 284 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 284 L C 2.696 179.634 176.870 0.113 0.000 1.089 284 L CA 2.312 57.189 54.840 0.061 0.000 0.757 284 L CB -1.371 40.698 42.059 0.017 0.000 0.899 284 L HN 0.606 nan 8.230 nan 0.000 0.434 285 S N -1.792 113.965 115.700 0.094 0.000 2.447 285 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 285 S C 1.592 176.321 174.600 0.215 0.000 1.006 285 S CA 1.063 59.356 58.200 0.156 0.000 0.957 285 S CB -0.175 63.076 63.200 0.086 0.000 0.773 285 S HN 0.427 nan 8.310 nan 0.000 0.507 286 D N 1.072 121.570 120.400 0.164 0.000 2.201 286 D HA 0.094 4.734 4.640 -0.000 0.000 0.209 286 D C 1.967 178.339 176.300 0.121 0.000 0.961 286 D CA 0.767 54.846 54.000 0.132 0.000 0.861 286 D CB 0.038 40.900 40.800 0.104 0.000 0.997 286 D HN 0.311 nan 8.370 nan 0.000 0.486 287 K N 0.831 121.302 120.400 0.118 0.000 2.044 287 K HA 0.105 4.425 4.320 -0.000 0.000 0.204 287 K C 2.453 179.161 176.600 0.181 0.000 1.045 287 K CA 0.113 56.467 56.287 0.111 0.000 0.951 287 K CB -0.783 31.750 32.500 0.055 0.000 0.738 287 K HN 0.164 nan 8.250 nan 0.000 0.443 288 L N 1.278 122.603 121.223 0.170 0.000 2.043 288 L HA -0.191 4.148 4.340 -0.000 0.000 0.212 288 L C -0.622 176.360 176.870 0.187 0.000 1.075 288 L CA 1.484 56.450 54.840 0.210 0.000 0.752 288 L CB -1.891 40.369 42.059 0.335 0.000 0.891 288 L HN 0.083 nan 8.230 nan 0.000 0.432 289 P HA -0.264 nan 4.420 nan 0.000 0.222 289 P C 1.339 178.611 177.300 -0.047 0.000 1.147 289 P CA 1.679 64.724 63.100 -0.091 0.000 0.958 289 P CB -0.028 31.682 31.700 0.016 0.000 0.788 290 E N -2.055 118.158 120.200 0.021 0.000 2.204 290 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 290 E C 2.062 178.648 176.600 -0.024 0.000 0.990 290 E CA 1.010 57.405 56.400 -0.008 0.000 0.821 290 E CB -0.825 28.840 29.700 -0.057 0.000 0.750 290 E HN 0.534 nan 8.360 nan 0.000 0.477 291 H N -0.236 118.843 119.070 0.014 0.000 2.357 291 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 291 H C 2.223 177.608 175.328 0.096 0.000 1.082 291 H CA 1.220 57.329 56.048 0.103 0.000 1.342 291 H CB 0.206 30.040 29.762 0.119 0.000 1.389 291 H HN 0.005 nan 8.280 nan 0.000 0.511 292 V N 0.950 120.942 119.914 0.130 0.000 2.307 292 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 292 V C 2.609 178.706 176.094 0.005 0.000 1.045 292 V CA 2.201 64.518 62.300 0.028 0.000 1.024 292 V CB -0.825 30.878 31.823 -0.200 0.000 0.651 292 V HN 0.577 nan 8.190 nan 0.000 0.449 293 T N -2.706 111.826 114.554 -0.037 0.000 3.227 293 T HA 0.045 4.395 4.350 -0.000 0.000 0.257 293 T C 0.725 175.395 174.700 -0.051 0.000 1.162 293 T CA 0.238 62.306 62.100 -0.053 0.000 1.051 293 T CB -0.317 68.509 68.868 -0.070 0.000 0.953 293 T HN 0.118 nan 8.240 nan 0.000 0.535 294 M N 2.679 122.299 119.600 0.033 0.000 2.200 294 M HA 0.345 4.825 4.480 -0.000 0.000 0.355 294 M C -2.470 173.888 176.300 0.097 0.000 1.283 294 M CA -2.493 52.863 55.300 0.094 0.000 1.124 294 M CB 0.852 33.606 32.600 0.257 0.000 1.625 294 M HN -0.046 nan 8.290 nan 0.000 0.463 295 P HA -0.012 nan 4.420 nan 0.000 0.264 295 P C -0.671 176.695 177.300 0.110 0.000 1.193 295 P CA 0.176 63.311 63.100 0.059 0.000 0.763 295 P CB 0.362 32.082 31.700 0.034 0.000 0.810 296 D N 1.590 122.040 120.400 0.085 0.000 2.372 296 D HA 0.456 5.096 4.640 -0.000 0.000 0.243 296 D C 0.593 176.951 176.300 0.097 0.000 1.121 296 D CA 0.823 54.880 54.000 0.094 0.000 0.898 296 D CB 1.047 41.882 40.800 0.059 0.000 1.202 296 D HN 0.466 nan 8.370 nan 0.000 0.428 297 G N 0.695 109.565 108.800 0.116 0.000 2.495 297 G HA2 0.213 4.172 3.960 -0.000 0.000 0.294 297 G HA3 0.213 4.172 3.960 -0.000 0.000 0.294 297 G C -0.681 174.296 174.900 0.128 0.000 1.397 297 G CA -0.601 44.575 45.100 0.127 0.000 0.790 297 G HN 0.406 nan 8.290 nan 0.000 0.486 298 D N -1.033 119.449 120.400 0.137 0.000 2.402 298 D HA 0.174 4.814 4.640 -0.000 0.000 0.216 298 D C 0.321 176.713 176.300 0.154 0.000 1.128 298 D CA -0.693 53.368 54.000 0.101 0.000 0.833 298 D CB -0.040 40.795 40.800 0.057 0.000 0.971 298 D HN 0.184 nan 8.370 nan 0.000 0.503 299 F N 1.907 121.933 119.950 0.127 0.000 2.572 299 F HA 0.265 4.792 4.527 -0.000 0.000 0.370 299 F C 0.203 176.157 175.800 0.257 0.000 1.103 299 F CA 0.157 58.257 58.000 0.168 0.000 1.286 299 F CB 0.920 40.010 39.000 0.150 0.000 1.105 299 F HN -0.100 nan 8.300 nan 0.000 0.583 300 S N 6.920 122.219 115.700 -0.668 0.000 2.707 300 S HA 0.391 4.860 4.470 -0.000 0.000 0.303 300 S C 0.876 175.160 174.600 -0.526 0.000 1.132 300 S CA -0.864 57.135 58.200 -0.334 0.000 1.046 300 S CB 0.583 63.682 63.200 -0.168 0.000 1.004 300 S HN 0.727 nan 8.310 nan 0.000 0.483 301 I N 4.461 124.948 120.570 -0.137 0.000 2.335 301 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 301 I C 2.598 178.816 176.117 0.169 0.000 1.129 301 I CA 1.021 62.353 61.300 0.053 0.000 1.402 301 I CB -0.171 37.928 38.000 0.164 0.000 1.069 301 I HN 0.649 nan 8.210 nan 0.000 0.424 302 R N 0.395 120.947 120.500 0.087 0.000 2.062 302 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 302 R C 2.553 178.886 176.300 0.056 0.000 1.136 302 R CA 1.781 57.937 56.100 0.092 0.000 0.948 302 R CB -0.497 29.831 30.300 0.047 0.000 0.845 302 R HN 0.254 nan 8.270 nan 0.000 0.430 303 S N 0.491 116.185 115.700 -0.011 0.000 2.359 303 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 303 S C 1.409 176.018 174.600 0.015 0.000 1.035 303 S CA 1.377 59.563 58.200 -0.023 0.000 1.018 303 S CB -0.434 62.725 63.200 -0.068 0.000 0.876 303 S HN 0.488 nan 8.310 nan 0.000 0.448 304 W N 2.417 123.607 121.300 -0.183 0.000 2.321 304 W HA -0.116 4.543 4.660 -0.000 0.000 0.306 304 W C 1.619 178.140 176.519 0.003 0.000 1.217 304 W CA 1.154 58.450 57.345 -0.081 0.000 1.257 304 W CB -0.478 28.940 29.460 -0.070 0.000 1.145 304 W HN 0.201 nan 8.180 nan 0.000 0.509 305 L N 0.275 121.509 121.223 0.018 0.000 2.141 305 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 305 L C 2.285 179.036 176.870 -0.198 0.000 1.094 305 L CA 1.659 56.393 54.840 -0.177 0.000 0.763 305 L CB -0.743 41.352 42.059 0.059 0.000 0.908 305 L HN 0.053 nan 8.230 nan 0.000 0.437 306 E N -0.756 119.379 120.200 -0.108 0.000 2.216 306 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 306 E C 0.483 177.017 176.600 -0.110 0.000 0.988 306 E CA 0.182 56.531 56.400 -0.086 0.000 0.834 306 E CB 0.065 29.742 29.700 -0.039 0.000 0.772 306 E HN 0.232 nan 8.360 nan 0.000 0.479 307 D N 0.902 121.216 120.400 -0.143 0.000 2.374 307 D HA 0.028 4.667 4.640 -0.000 0.000 0.240 307 D C -1.880 174.313 176.300 -0.178 0.000 1.229 307 D CA -2.337 51.589 54.000 -0.124 0.000 0.895 307 D CB 1.209 41.963 40.800 -0.078 0.000 1.046 307 D HN -0.175 nan 8.370 nan 0.000 0.498 308 P HA -0.108 nan 4.420 nan 0.000 0.215 308 P C 0.849 178.091 177.300 -0.095 0.000 1.153 308 P CA 0.811 63.842 63.100 -0.116 0.000 0.853 308 P CB 0.247 31.905 31.700 -0.070 0.000 0.788 309 N N -0.469 118.197 118.700 -0.056 0.000 2.573 309 N HA -0.034 4.706 4.740 -0.000 0.000 0.187 309 N C 1.218 176.729 175.510 0.000 0.000 1.107 309 N CA 0.685 53.726 53.050 -0.016 0.000 0.918 309 N CB -0.587 37.903 38.487 0.005 0.000 0.966 309 N HN 0.151 nan 8.380 nan 0.000 0.448 310 G N -0.382 108.384 108.800 -0.058 0.000 2.614 310 G HA2 0.373 4.333 3.960 -0.000 0.000 0.239 310 G HA3 0.373 4.333 3.960 -0.000 0.000 0.239 310 G C 0.770 175.700 174.900 0.050 0.000 1.240 310 G CA -0.031 45.063 45.100 -0.011 0.000 0.842 310 G HN 0.173 nan 8.290 nan 0.000 0.584 311 G N 0.210 109.184 108.800 0.291 0.000 2.928 311 G HA2 0.338 4.298 3.960 -0.000 0.000 0.163 311 G HA3 0.338 4.298 3.960 -0.000 0.000 0.163 311 G C 0.083 175.255 174.900 0.454 0.000 1.573 311 G CA -0.663 44.622 45.100 0.309 0.000 1.084 311 G HN 0.598 nan 8.290 nan 0.000 0.569 312 N N -0.412 118.583 118.700 0.490 0.000 2.430 312 N HA 0.373 5.113 4.740 -0.000 0.000 0.298 312 N C -1.176 174.599 175.510 0.442 0.000 1.130 312 N CA -0.465 52.885 53.050 0.499 0.000 0.894 312 N CB 2.414 41.057 38.487 0.260 0.000 1.209 312 N HN 0.222 nan 8.380 nan 0.000 0.503 313 L N 1.811 123.151 121.223 0.196 0.000 2.272 313 L HA 0.471 4.811 4.340 -0.000 0.000 0.289 313 L C -1.235 175.494 176.870 -0.234 0.000 1.032 313 L CA -0.628 54.074 54.840 -0.231 0.000 0.810 313 L CB 0.304 41.884 42.059 -0.799 0.000 1.205 313 L HN 0.375 nan 8.230 nan 0.000 0.422 314 F N 5.637 125.507 119.950 -0.135 0.000 2.375 314 F HA 0.419 4.946 4.527 -0.000 0.000 0.361 314 F C 0.273 176.012 175.800 -0.101 0.000 1.117 314 F CA -0.416 57.547 58.000 -0.062 0.000 1.037 314 F CB 1.288 40.264 39.000 -0.040 0.000 1.192 314 F HN 0.231 nan 8.300 nan 0.000 0.452 315 I N 4.060 124.697 120.570 0.112 0.000 2.287 315 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 315 I C 0.241 176.576 176.117 0.364 0.000 1.069 315 I CA -0.233 61.159 61.300 0.153 0.000 1.237 315 I CB 0.613 38.735 38.000 0.203 0.000 1.418 315 I HN 0.592 nan 8.210 nan 0.000 0.481 316 T N 2.273 117.023 114.554 0.328 0.000 2.950 316 T HA 0.785 5.135 4.350 -0.000 0.000 0.288 316 T C -0.997 174.000 174.700 0.495 0.000 1.035 316 T CA -0.671 61.604 62.100 0.291 0.000 1.028 316 T CB 2.120 71.062 68.868 0.124 0.000 1.109 316 T HN 0.672 nan 8.240 nan 0.000 0.514 317 W N -0.600 120.744 121.300 0.074 0.000 3.173 317 W HA 0.627 5.287 4.660 -0.000 0.000 0.313 317 W C -1.807 174.652 176.519 -0.100 0.000 1.228 317 W CA -1.246 56.112 57.345 0.023 0.000 1.185 317 W CB 0.798 30.289 29.460 0.052 0.000 1.390 317 W HN 0.783 nan 8.180 nan 0.000 0.568 318 R N 2.276 122.703 120.500 -0.120 0.000 2.308 318 R HA 0.176 4.516 4.340 -0.000 0.000 0.305 318 R C 1.073 177.341 176.300 -0.053 0.000 1.053 318 R CA -0.444 55.488 56.100 -0.280 0.000 0.957 318 R CB 1.314 31.360 30.300 -0.423 0.000 1.022 318 R HN 0.725 nan 8.270 nan 0.000 0.461 319 E N 1.612 121.739 120.200 -0.123 0.000 2.169 319 E HA -0.297 4.053 4.350 -0.000 0.000 0.202 319 E C 1.148 177.791 176.600 0.071 0.000 1.016 319 E CA 1.965 58.387 56.400 0.036 0.000 0.817 319 E CB 0.063 29.742 29.700 -0.035 0.000 0.736 319 E HN 0.664 nan 8.360 nan 0.000 0.462 320 D N -0.209 120.185 120.400 -0.011 0.000 2.350 320 D HA -0.172 4.468 4.640 -0.000 0.000 0.216 320 D C 1.426 177.717 176.300 -0.015 0.000 0.968 320 D CA 0.965 54.954 54.000 -0.019 0.000 0.894 320 D CB -0.135 40.633 40.800 -0.053 0.000 0.909 320 D HN 0.262 nan 8.370 nan 0.000 0.520 321 M N -0.251 119.353 119.600 0.006 0.000 2.356 321 M HA 0.307 4.787 4.480 -0.000 0.000 0.262 321 M C 1.833 178.147 176.300 0.024 0.000 1.097 321 M CA 0.046 55.331 55.300 -0.024 0.000 0.991 321 M CB 1.208 33.736 32.600 -0.121 0.000 1.450 321 M HN 0.071 nan 8.290 nan 0.000 0.495 322 G N 2.918 111.786 108.800 0.112 0.000 2.553 322 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 322 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 322 G C -0.631 174.208 174.900 -0.102 0.000 1.195 322 G CA 0.872 45.985 45.100 0.022 0.000 0.779 322 G HN 0.320 nan 8.290 nan 0.000 0.577 323 P HA -0.066 nan 4.420 nan 0.000 0.218 323 P C 1.943 179.204 177.300 -0.065 0.000 1.148 323 P CA 1.977 65.045 63.100 -0.053 0.000 0.822 323 P CB -0.167 31.519 31.700 -0.023 0.000 0.784 324 A N 0.075 122.859 122.820 -0.059 0.000 1.930 324 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 324 A C 2.240 179.782 177.584 -0.070 0.000 1.175 324 A CA 1.103 53.112 52.037 -0.046 0.000 0.627 324 A CB -1.340 17.636 19.000 -0.039 0.000 0.815 324 A HN 0.170 nan 8.150 nan 0.000 0.443 325 L N -1.159 119.991 121.223 -0.123 0.000 2.611 325 L HA 0.145 4.485 4.340 -0.000 0.000 0.229 325 L C 2.240 178.938 176.870 -0.287 0.000 1.137 325 L CA 0.014 54.743 54.840 -0.184 0.000 0.901 325 L CB -0.243 41.714 42.059 -0.169 0.000 1.098 325 L HN 0.427 nan 8.230 nan 0.000 0.456 326 R N 1.673 122.028 120.500 -0.243 0.000 2.094 326 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 326 R C -0.442 175.739 176.300 -0.198 0.000 1.137 326 R CA 1.969 57.926 56.100 -0.238 0.000 0.943 326 R CB -0.935 29.274 30.300 -0.152 0.000 0.850 326 R HN 0.208 nan 8.270 nan 0.000 0.433 327 P HA -0.172 nan 4.420 nan 0.000 0.221 327 P C 1.460 178.662 177.300 -0.163 0.000 1.150 327 P CA 1.168 64.210 63.100 -0.096 0.000 0.800 327 P CB -0.060 31.628 31.700 -0.021 0.000 0.787 328 L N -0.612 120.410 121.223 -0.336 0.000 2.068 328 L HA -0.043 4.297 4.340 -0.000 0.000 0.204 328 L C 2.637 179.032 176.870 -0.793 0.000 1.076 328 L CA 1.208 55.621 54.840 -0.713 0.000 0.753 328 L CB -0.527 41.025 42.059 -0.846 0.000 0.910 328 L HN -0.178 nan 8.230 nan 0.000 0.439 329 I N -0.668 119.591 120.570 -0.518 0.000 2.286 329 I HA -0.285 3.884 4.170 -0.000 0.000 0.248 329 I C 2.456 178.493 176.117 -0.133 0.000 1.115 329 I CA 1.115 62.263 61.300 -0.253 0.000 1.392 329 I CB -0.209 37.599 38.000 -0.319 0.000 1.065 329 I HN 0.194 nan 8.210 nan 0.000 0.418 330 S N 0.632 116.238 115.700 -0.156 0.000 2.423 330 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 330 S C 2.175 176.770 174.600 -0.007 0.000 1.014 330 S CA 1.142 59.308 58.200 -0.055 0.000 0.965 330 S CB -0.199 62.965 63.200 -0.060 0.000 0.785 330 S HN 0.546 nan 8.310 nan 0.000 0.495 331 A N 1.196 123.974 122.820 -0.070 0.000 1.854 331 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 331 A C 1.841 179.485 177.584 0.100 0.000 1.192 331 A CA 0.855 52.906 52.037 0.023 0.000 0.611 331 A CB -0.818 18.205 19.000 0.038 0.000 0.832 331 A HN 0.584 nan 8.150 nan 0.000 0.442 332 W N 0.323 121.583 121.300 -0.066 0.000 2.335 332 W HA -0.135 4.525 4.660 -0.000 0.000 0.311 332 W C 2.334 178.839 176.519 -0.024 0.000 1.213 332 W CA 1.308 58.563 57.345 -0.149 0.000 1.274 332 W CB -1.348 27.951 29.460 -0.268 0.000 1.148 332 W HN 0.186 nan 8.180 nan 0.000 0.498 333 V N 0.316 120.372 119.914 0.237 0.000 2.343 333 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 333 V C 1.828 178.023 176.094 0.169 0.000 1.051 333 V CA 2.430 64.837 62.300 0.179 0.000 1.036 333 V CB -1.087 30.823 31.823 0.145 0.000 0.654 333 V HN 0.038 nan 8.190 nan 0.000 0.451 334 D N -0.283 120.215 120.400 0.164 0.000 2.144 334 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 334 D C 2.032 178.456 176.300 0.205 0.000 0.978 334 D CA 1.094 55.187 54.000 0.156 0.000 0.833 334 D CB 0.024 40.904 40.800 0.133 0.000 0.961 334 D HN 0.187 nan 8.370 nan 0.000 0.470 335 V N -0.056 120.034 119.914 0.293 0.000 2.287 335 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 335 V C 2.534 178.827 176.094 0.332 0.000 1.053 335 V CA 1.372 63.926 62.300 0.424 0.000 1.027 335 V CB -0.456 31.654 31.823 0.480 0.000 0.646 335 V HN 0.189 nan 8.190 nan 0.000 0.447 336 V N -1.140 118.926 119.914 0.253 0.000 2.332 336 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 336 V C 2.526 178.727 176.094 0.177 0.000 1.055 336 V CA 2.252 64.684 62.300 0.221 0.000 1.038 336 V CB -0.797 31.143 31.823 0.195 0.000 0.651 336 V HN 0.656 nan 8.190 nan 0.000 0.450 337 C N 0.039 119.428 119.300 0.147 0.000 2.432 337 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 337 C C 2.971 178.011 174.990 0.083 0.000 1.249 337 C CA 1.855 60.930 59.018 0.095 0.000 1.725 337 C CB -1.237 26.549 27.740 0.077 0.000 2.028 337 C HN 0.686 nan 8.230 nan 0.000 0.477 338 T N 0.122 114.733 114.554 0.095 0.000 2.809 338 T HA -0.093 4.257 4.350 -0.000 0.000 0.260 338 T C 1.955 176.717 174.700 0.104 0.000 1.039 338 T CA 1.546 63.680 62.100 0.057 0.000 1.141 338 T CB -0.408 68.436 68.868 -0.041 0.000 0.869 338 T HN 0.498 nan 8.240 nan 0.000 0.437 339 S N 2.312 118.125 115.700 0.187 0.000 2.374 339 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 339 S C 2.175 176.862 174.600 0.146 0.000 1.037 339 S CA 1.622 59.953 58.200 0.219 0.000 1.024 339 S CB -0.659 62.711 63.200 0.284 0.000 0.861 339 S HN 0.740 nan 8.310 nan 0.000 0.456 340 I N -0.506 120.136 120.570 0.121 0.000 2.567 340 I HA -0.053 4.117 4.170 -0.000 0.000 0.257 340 I C 1.614 177.764 176.117 0.054 0.000 1.184 340 I CA 1.166 62.512 61.300 0.078 0.000 1.451 340 I CB -0.457 37.579 38.000 0.060 0.000 1.089 340 I HN 0.062 nan 8.210 nan 0.000 0.441 341 L N 0.318 121.577 121.223 0.060 0.000 2.551 341 L HA 0.027 4.367 4.340 -0.000 0.000 0.228 341 L C 2.090 178.993 176.870 0.054 0.000 1.153 341 L CA 1.270 56.136 54.840 0.044 0.000 0.851 341 L CB -0.708 41.374 42.059 0.040 0.000 0.959 341 L HN 0.299 nan 8.230 nan 0.000 0.451 342 S N -1.684 114.062 115.700 0.076 0.000 2.512 342 S HA 0.284 4.754 4.470 -0.000 0.000 0.216 342 S C 0.754 175.390 174.600 0.059 0.000 1.006 342 S CA -0.466 57.785 58.200 0.084 0.000 0.915 342 S CB 0.239 63.516 63.200 0.128 0.000 0.824 342 S HN 0.120 nan 8.310 nan 0.000 0.497 343 L N 3.865 125.116 121.223 0.046 0.000 2.506 343 L HA 0.115 4.455 4.340 -0.000 0.000 0.281 343 L C -1.746 175.130 176.870 0.011 0.000 1.228 343 L CA -1.099 53.755 54.840 0.023 0.000 0.850 343 L CB -0.206 41.858 42.059 0.008 0.000 1.110 343 L HN 0.113 nan 8.230 nan 0.000 0.496 344 P HA -0.002 nan 4.420 nan 0.000 0.272 344 P C -0.664 176.629 177.300 -0.012 0.000 1.230 344 P CA -0.516 62.582 63.100 -0.003 0.000 0.788 344 P CB 0.548 32.245 31.700 -0.005 0.000 0.949 345 E N 1.212 121.404 120.200 -0.012 0.000 2.562 345 E HA -0.039 4.311 4.350 -0.000 0.000 0.241 345 E C -0.471 176.115 176.600 -0.023 0.000 1.136 345 E CA 0.657 57.046 56.400 -0.018 0.000 0.952 345 E CB -0.577 29.113 29.700 -0.016 0.000 0.975 345 E HN 0.259 nan 8.360 nan 0.000 0.494 346 E N 5.377 125.559 120.200 -0.030 0.000 2.502 346 E HA 0.321 4.671 4.350 -0.000 0.000 0.261 346 E C -2.433 174.142 176.600 -0.042 0.000 0.974 346 E CA -2.055 54.324 56.400 -0.035 0.000 0.795 346 E CB 1.190 30.867 29.700 -0.038 0.000 1.385 346 E HN 0.255 nan 8.360 nan 0.000 0.400 347 P HA -0.099 nan 4.420 nan 0.000 0.217 347 P C 0.477 177.746 177.300 -0.051 0.000 1.150 347 P CA 1.083 64.155 63.100 -0.046 0.000 0.832 347 P CB 0.316 31.992 31.700 -0.039 0.000 0.787 348 K N -0.846 119.527 120.400 -0.044 0.000 2.504 348 K HA -0.035 4.285 4.320 -0.000 0.000 0.195 348 K C 1.123 177.693 176.600 -0.051 0.000 1.036 348 K CA 0.056 56.318 56.287 -0.043 0.000 0.984 348 K CB -0.078 32.402 32.500 -0.033 0.000 0.788 348 K HN 0.126 nan 8.250 nan 0.000 0.488 349 R N 1.656 122.120 120.500 -0.060 0.000 2.590 349 R HA 0.078 4.418 4.340 -0.000 0.000 0.274 349 R C -0.658 175.587 176.300 -0.092 0.000 1.061 349 R CA 0.315 56.372 56.100 -0.071 0.000 1.081 349 R CB 0.489 30.745 30.300 -0.074 0.000 0.984 349 R HN -0.021 nan 8.270 nan 0.000 0.448 350 R N 4.774 125.219 120.500 -0.091 0.000 2.539 350 R HA 0.317 4.657 4.340 -0.000 0.000 0.295 350 R C -1.305 174.924 176.300 -0.118 0.000 1.138 350 R CA -0.569 55.446 56.100 -0.142 0.000 0.936 350 R CB 1.446 31.696 30.300 -0.084 0.000 1.182 350 R HN 0.448 nan 8.270 nan 0.000 0.459 351 L N 3.698 124.809 121.223 -0.187 0.000 2.349 351 L HA 0.528 4.868 4.340 -0.000 0.000 0.278 351 L C -1.259 175.532 176.870 -0.132 0.000 0.996 351 L CA -0.728 54.070 54.840 -0.069 0.000 0.825 351 L CB 1.200 43.241 42.059 -0.030 0.000 1.243 351 L HN 0.577 nan 8.230 nan 0.000 0.412 352 W N 5.357 126.670 121.300 0.022 0.000 2.449 352 W HA 0.494 5.154 4.660 -0.000 0.000 0.331 352 W C -0.345 176.148 176.519 -0.043 0.000 1.119 352 W CA -0.334 56.967 57.345 -0.073 0.000 1.240 352 W CB 1.262 30.668 29.460 -0.091 0.000 1.251 352 W HN 0.230 nan 8.180 nan 0.000 0.576 353 L N 4.052 125.326 121.223 0.085 0.000 2.353 353 L HA 0.434 4.774 4.340 -0.000 0.000 0.270 353 L C -1.504 175.381 176.870 0.024 0.000 1.003 353 L CA -0.782 54.120 54.840 0.103 0.000 0.862 353 L CB 0.227 42.332 42.059 0.077 0.000 1.221 353 L HN 0.300 nan 8.230 nan 0.000 0.430 354 F N 5.411 125.480 119.950 0.199 0.000 2.404 354 F HA 0.405 4.932 4.527 -0.000 0.000 0.358 354 F C 0.385 176.282 175.800 0.161 0.000 1.120 354 F CA -0.218 57.885 58.000 0.171 0.000 1.144 354 F CB 1.041 40.103 39.000 0.104 0.000 1.133 354 F HN 0.239 nan 8.300 nan 0.000 0.495 355 I N 4.798 125.555 120.570 0.312 0.000 2.405 355 I HA 0.117 4.287 4.170 -0.000 0.000 0.280 355 I C 0.811 177.075 176.117 0.246 0.000 1.027 355 I CA -0.514 60.942 61.300 0.260 0.000 1.161 355 I CB 1.158 39.285 38.000 0.211 0.000 1.300 355 I HN 0.592 nan 8.210 nan 0.000 0.463 356 D N 4.681 125.231 120.400 0.250 0.000 2.104 356 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 356 D C 0.577 176.976 176.300 0.165 0.000 0.994 356 D CA 1.604 55.724 54.000 0.200 0.000 0.830 356 D CB 0.392 41.302 40.800 0.184 0.000 0.959 356 D HN 0.441 nan 8.370 nan 0.000 0.452 357 E N -0.688 119.618 120.200 0.177 0.000 2.460 357 E HA 0.213 4.563 4.350 -0.000 0.000 0.249 357 E C 0.336 177.012 176.600 0.126 0.000 0.962 357 E CA -0.507 55.973 56.400 0.133 0.000 0.787 357 E CB 0.892 30.673 29.700 0.135 0.000 1.341 357 E HN 0.006 nan 8.360 nan 0.000 0.407 358 L N 3.759 125.043 121.223 0.101 0.000 2.081 358 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 358 L C 1.742 178.696 176.870 0.140 0.000 1.080 358 L CA 2.698 57.605 54.840 0.111 0.000 0.754 358 L CB -0.345 41.742 42.059 0.045 0.000 0.893 358 L HN 0.627 nan 8.230 nan 0.000 0.433 359 A N -2.314 120.572 122.820 0.110 0.000 2.168 359 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 359 A C 2.260 179.894 177.584 0.084 0.000 1.152 359 A CA 1.290 53.397 52.037 0.117 0.000 0.716 359 A CB -0.512 18.538 19.000 0.082 0.000 0.794 359 A HN 0.474 nan 8.150 nan 0.000 0.465 360 S N -0.437 115.310 115.700 0.078 0.000 2.562 360 S HA 0.247 4.717 4.470 -0.000 0.000 0.221 360 S C 0.705 175.308 174.600 0.003 0.000 0.975 360 S CA 0.034 58.263 58.200 0.047 0.000 0.918 360 S CB -0.263 62.984 63.200 0.079 0.000 0.772 360 S HN 0.469 nan 8.310 nan 0.000 0.531 361 L N 1.021 122.260 121.223 0.026 0.000 2.472 361 L HA 0.394 4.734 4.340 -0.000 0.000 0.256 361 L C 0.847 177.700 176.870 -0.029 0.000 1.111 361 L CA -0.782 54.054 54.840 -0.007 0.000 0.800 361 L CB 0.453 42.540 42.059 0.048 0.000 1.286 361 L HN 0.112 nan 8.230 nan 0.000 0.479 362 E N 0.069 120.234 120.200 -0.058 0.000 2.602 362 E HA 0.122 4.472 4.350 -0.000 0.000 0.255 362 E C -0.616 175.854 176.600 -0.217 0.000 1.268 362 E CA -0.732 55.596 56.400 -0.118 0.000 1.007 362 E CB 0.626 30.273 29.700 -0.089 0.000 1.208 362 E HN 0.270 nan 8.360 nan 0.000 0.584 363 K N 1.855 122.040 120.400 -0.358 0.000 2.237 363 K HA 0.102 4.422 4.320 -0.000 0.000 0.283 363 K C -0.448 176.044 176.600 -0.181 0.000 1.080 363 K CA -0.090 55.816 56.287 -0.635 0.000 0.965 363 K CB -0.374 31.817 32.500 -0.515 0.000 1.098 363 K HN 0.298 nan 8.250 nan 0.000 0.434 364 L N 3.948 125.203 121.223 0.053 0.000 2.477 364 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 364 L C 1.499 178.456 176.870 0.145 0.000 1.157 364 L CA -0.348 54.576 54.840 0.139 0.000 0.889 364 L CB 0.946 43.124 42.059 0.200 0.000 1.158 364 L HN 0.757 nan 8.230 nan 0.000 0.473 365 A N 2.422 125.290 122.820 0.079 0.000 2.067 365 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 365 A C 1.969 179.588 177.584 0.059 0.000 1.158 365 A CA 1.580 53.654 52.037 0.061 0.000 0.661 365 A CB -0.082 18.938 19.000 0.033 0.000 0.801 365 A HN 0.765 nan 8.150 nan 0.000 0.452 366 S N -1.115 114.623 115.700 0.064 0.000 2.526 366 S HA 0.228 4.697 4.470 -0.000 0.000 0.220 366 S C 1.471 176.093 174.600 0.037 0.000 1.017 366 S CA -0.187 58.039 58.200 0.043 0.000 0.930 366 S CB -0.038 63.184 63.200 0.038 0.000 0.856 366 S HN 0.478 nan 8.310 nan 0.000 0.497 367 L N 1.927 123.187 121.223 0.061 0.000 2.021 367 L HA -0.257 4.082 4.340 -0.000 0.000 0.215 367 L C 2.628 179.475 176.870 -0.039 0.000 1.074 367 L CA 1.837 56.692 54.840 0.025 0.000 0.760 367 L CB -0.661 41.442 42.059 0.074 0.000 0.889 367 L HN 0.422 nan 8.230 nan 0.000 0.433 368 A N -0.289 122.522 122.820 -0.015 0.000 1.851 368 A HA -0.290 4.029 4.320 -0.000 0.000 0.216 368 A C 1.912 179.465 177.584 -0.052 0.000 1.195 368 A CA 2.164 54.177 52.037 -0.041 0.000 0.622 368 A CB -0.818 18.178 19.000 -0.007 0.000 0.831 368 A HN 0.501 nan 8.150 nan 0.000 0.444 369 D N -0.157 120.227 120.400 -0.026 0.000 2.149 369 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 369 D C 2.257 178.535 176.300 -0.038 0.000 0.990 369 D CA 1.488 55.473 54.000 -0.025 0.000 0.839 369 D CB -0.408 40.386 40.800 -0.010 0.000 0.948 369 D HN 0.436 nan 8.370 nan 0.000 0.460 370 A N 0.921 123.713 122.820 -0.046 0.000 1.908 370 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 370 A C 2.349 179.862 177.584 -0.119 0.000 1.181 370 A CA 0.928 52.928 52.037 -0.060 0.000 0.627 370 A CB -0.792 18.177 19.000 -0.053 0.000 0.818 370 A HN 0.229 nan 8.150 nan 0.000 0.445 371 L N -1.066 120.025 121.223 -0.220 0.000 2.465 371 L HA -0.055 4.285 4.340 -0.000 0.000 0.224 371 L C 2.093 178.921 176.870 -0.070 0.000 1.145 371 L CA 1.241 55.856 54.840 -0.376 0.000 0.834 371 L CB -0.212 41.515 42.059 -0.552 0.000 0.944 371 L HN 0.345 nan 8.230 nan 0.000 0.451 372 T N -1.621 112.905 114.554 -0.047 0.000 2.978 372 T HA 0.077 4.427 4.350 -0.000 0.000 0.248 372 T C 1.304 175.999 174.700 -0.009 0.000 1.018 372 T CA 0.341 62.432 62.100 -0.016 0.000 1.026 372 T CB 0.454 69.306 68.868 -0.027 0.000 1.032 372 T HN 0.186 nan 8.240 nan 0.000 0.485 373 K N 0.673 121.066 120.400 -0.012 0.000 2.506 373 K HA 0.331 4.651 4.320 -0.000 0.000 0.204 373 K C 1.471 178.064 176.600 -0.013 0.000 1.045 373 K CA -0.158 56.121 56.287 -0.014 0.000 1.074 373 K CB 0.971 33.462 32.500 -0.014 0.000 0.842 373 K HN 0.141 nan 8.250 nan 0.000 0.514 374 G N 0.896 109.694 108.800 -0.004 0.000 3.042 374 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.212 374 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.212 374 G C 1.209 176.088 174.900 -0.035 0.000 1.166 374 G CA -0.193 44.903 45.100 -0.008 0.000 0.767 374 G HN 0.126 nan 8.290 nan 0.000 0.546 375 R N 0.798 121.269 120.500 -0.048 0.000 2.073 375 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 375 R C 2.303 178.555 176.300 -0.078 0.000 1.134 375 R CA 1.536 57.585 56.100 -0.085 0.000 0.952 375 R CB -0.144 30.107 30.300 -0.082 0.000 0.850 375 R HN 0.267 nan 8.270 nan 0.000 0.433 376 K N -0.270 120.096 120.400 -0.056 0.000 2.063 376 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 376 K C 1.936 178.505 176.600 -0.052 0.000 1.048 376 K CA 1.558 57.815 56.287 -0.049 0.000 0.928 376 K CB -0.154 32.325 32.500 -0.034 0.000 0.713 376 K HN 0.192 nan 8.250 nan 0.000 0.442 377 A N 0.591 123.382 122.820 -0.048 0.000 2.167 377 A HA 0.140 4.459 4.320 -0.000 0.000 0.214 377 A C 1.436 178.973 177.584 -0.078 0.000 1.151 377 A CA 0.876 52.883 52.037 -0.049 0.000 0.735 377 A CB -0.417 18.566 19.000 -0.028 0.000 0.802 377 A HN 0.444 nan 8.150 nan 0.000 0.467 378 G N -1.064 107.674 108.800 -0.103 0.000 2.182 378 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 378 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 378 G C 0.026 174.804 174.900 -0.202 0.000 1.042 378 G CA 0.223 45.229 45.100 -0.157 0.000 0.775 378 G HN 0.585 nan 8.290 nan 0.000 0.501 379 L N -0.018 121.119 121.223 -0.144 0.000 2.367 379 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 379 L C 0.532 177.296 176.870 -0.177 0.000 1.129 379 L CA -0.146 54.622 54.840 -0.121 0.000 0.839 379 L CB 0.421 42.466 42.059 -0.022 0.000 1.133 379 L HN 0.305 nan 8.230 nan 0.000 0.453 380 R N 4.017 124.339 120.500 -0.296 0.000 2.435 380 R HA 0.469 4.809 4.340 -0.000 0.000 0.308 380 R C -1.238 175.010 176.300 -0.086 0.000 0.975 380 R CA -0.603 55.253 56.100 -0.406 0.000 0.867 380 R CB 2.068 31.565 30.300 -1.339 0.000 1.171 380 R HN 0.356 nan 8.270 nan 0.000 0.470 381 V N 3.634 123.680 119.914 0.219 0.000 2.435 381 V HA 0.463 4.583 4.120 -0.000 0.000 0.290 381 V C -0.186 176.028 176.094 0.200 0.000 1.030 381 V CA -0.796 61.549 62.300 0.075 0.000 0.881 381 V CB 1.950 33.643 31.823 -0.217 0.000 0.983 381 V HN 0.402 nan 8.190 nan 0.000 0.445 382 V N 3.812 123.802 119.914 0.127 0.000 2.443 382 V HA 0.829 4.949 4.120 -0.000 0.000 0.293 382 V C 0.063 176.298 176.094 0.236 0.000 1.021 382 V CA -0.343 62.077 62.300 0.199 0.000 0.848 382 V CB 1.636 33.479 31.823 0.032 0.000 0.998 382 V HN 1.043 nan 8.190 nan 0.000 0.424 383 A N 3.594 126.567 122.820 0.255 0.000 2.386 383 A HA 0.928 5.248 4.320 -0.000 0.000 0.311 383 A C 0.159 177.773 177.584 0.050 0.000 1.068 383 A CA -0.174 51.950 52.037 0.145 0.000 0.743 383 A CB 1.718 20.774 19.000 0.094 0.000 1.258 383 A HN 1.010 nan 8.150 nan 0.000 0.429 384 G N -0.248 108.599 108.800 0.079 0.000 2.451 384 G HA2 0.595 4.555 3.960 -0.000 0.000 0.303 384 G HA3 0.595 4.555 3.960 -0.000 0.000 0.303 384 G C -1.205 173.700 174.900 0.009 0.000 1.166 384 G CA -0.267 44.865 45.100 0.053 0.000 0.884 384 G HN 1.005 nan 8.290 nan 0.000 0.514 385 L N -0.149 121.071 121.223 -0.005 0.000 2.549 385 L HA 0.354 4.694 4.340 -0.000 0.000 0.259 385 L C 0.587 177.456 176.870 -0.002 0.000 0.934 385 L CA -0.407 54.423 54.840 -0.018 0.000 0.865 385 L CB 2.020 44.033 42.059 -0.077 0.000 1.352 385 L HN 0.734 nan 8.230 nan 0.000 0.410 386 Q N 0.479 120.285 119.800 0.010 0.000 2.240 386 Q HA 0.349 4.689 4.340 -0.000 0.000 0.194 386 Q C -0.254 175.751 176.000 0.008 0.000 0.982 386 Q CA 0.262 56.073 55.803 0.014 0.000 0.842 386 Q CB 0.480 29.231 28.738 0.023 0.000 0.941 386 Q HN 0.628 nan 8.270 nan 0.000 0.516 387 S N -0.291 115.415 115.700 0.009 0.000 2.501 387 S HA 0.160 4.630 4.470 -0.000 0.000 0.301 387 S C 0.684 175.286 174.600 0.003 0.000 1.096 387 S CA -0.452 57.752 58.200 0.007 0.000 1.063 387 S CB 1.600 64.807 63.200 0.011 0.000 1.042 387 S HN 0.447 nan 8.310 nan 0.000 0.494 388 T N -0.217 114.336 114.554 -0.002 0.000 2.995 388 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 388 T C 1.874 176.580 174.700 0.010 0.000 1.091 388 T CA 1.204 63.302 62.100 -0.004 0.000 1.128 388 T CB -0.417 68.446 68.868 -0.009 0.000 0.891 388 T HN 0.565 nan 8.240 nan 0.000 0.492 389 S N 1.398 117.105 115.700 0.012 0.000 2.423 389 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 389 S C 2.110 176.727 174.600 0.028 0.000 1.014 389 S CA 0.480 58.691 58.200 0.018 0.000 0.965 389 S CB -0.523 62.685 63.200 0.014 0.000 0.785 389 S HN 0.587 nan 8.310 nan 0.000 0.495 390 Q N 0.578 120.396 119.800 0.030 0.000 1.942 390 Q HA -0.012 4.328 4.340 -0.000 0.000 0.203 390 Q C 2.232 178.274 176.000 0.070 0.000 0.987 390 Q CA 1.492 57.320 55.803 0.042 0.000 0.844 390 Q CB -0.480 28.283 28.738 0.042 0.000 0.911 390 Q HN 0.442 nan 8.270 nan 0.000 0.423 391 L N 1.550 122.822 121.223 0.081 0.000 2.051 391 L HA -0.274 4.066 4.340 -0.000 0.000 0.214 391 L C 1.553 178.526 176.870 0.171 0.000 1.076 391 L CA 1.962 56.890 54.840 0.147 0.000 0.758 391 L CB -0.509 41.582 42.059 0.054 0.000 0.890 391 L HN 0.208 nan 8.230 nan 0.000 0.433 392 D N -0.839 119.616 120.400 0.092 0.000 2.097 392 D HA -0.211 4.428 4.640 -0.000 0.000 0.195 392 D C 1.882 178.225 176.300 0.072 0.000 0.989 392 D CA 1.525 55.572 54.000 0.077 0.000 0.827 392 D CB -0.230 40.596 40.800 0.042 0.000 0.966 392 D HN 0.455 nan 8.370 nan 0.000 0.456 393 D N -0.599 119.832 120.400 0.053 0.000 2.219 393 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 393 D C 1.851 178.158 176.300 0.013 0.000 0.970 393 D CA 0.458 54.475 54.000 0.028 0.000 0.851 393 D CB 0.308 41.120 40.800 0.020 0.000 0.943 393 D HN -0.002 nan 8.370 nan 0.000 0.488 394 V N -0.608 119.325 119.914 0.032 0.000 2.374 394 V HA -0.124 3.996 4.120 -0.000 0.000 0.241 394 V C 1.515 177.508 176.094 -0.169 0.000 1.034 394 V CA 1.197 63.455 62.300 -0.070 0.000 1.037 394 V CB -0.540 31.245 31.823 -0.063 0.000 0.682 394 V HN 0.204 nan 8.190 nan 0.000 0.463 395 Y N 0.545 120.847 120.300 0.003 0.000 2.503 395 Y HA 0.521 5.071 4.550 -0.000 0.000 0.278 395 Y C 1.321 177.220 175.900 -0.002 0.000 1.111 395 Y CA 0.498 58.600 58.100 0.003 0.000 1.270 395 Y CB 0.092 38.559 38.460 0.013 0.000 1.063 395 Y HN 0.363 nan 8.280 nan 0.000 0.548 396 G N -0.479 108.400 108.800 0.132 0.000 2.712 396 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 396 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 396 G C 0.370 175.316 174.900 0.077 0.000 1.181 396 G CA -0.536 44.607 45.100 0.072 0.000 0.762 396 G HN -0.024 nan 8.290 nan 0.000 0.641 397 V N 2.584 122.525 119.914 0.045 0.000 2.220 397 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 397 V C 3.081 179.195 176.094 0.033 0.000 1.056 397 V CA 2.745 65.066 62.300 0.035 0.000 1.016 397 V CB -0.564 31.271 31.823 0.021 0.000 0.639 397 V HN 0.804 nan 8.190 nan 0.000 0.446 398 K N -0.198 120.218 120.400 0.028 0.000 2.020 398 K HA -0.254 4.066 4.320 -0.000 0.000 0.212 398 K C 2.156 178.774 176.600 0.029 0.000 1.050 398 K CA 2.084 58.385 56.287 0.023 0.000 0.929 398 K CB -0.514 31.997 32.500 0.019 0.000 0.714 398 K HN 0.624 nan 8.250 nan 0.000 0.443 399 E N -0.039 120.191 120.200 0.049 0.000 2.106 399 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 399 E C 1.801 178.424 176.600 0.039 0.000 0.984 399 E CA 0.960 57.398 56.400 0.064 0.000 0.806 399 E CB -0.001 29.772 29.700 0.122 0.000 0.750 399 E HN 0.324 nan 8.360 nan 0.000 0.458 400 A N 0.572 123.423 122.820 0.052 0.000 1.969 400 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 400 A C 2.074 179.641 177.584 -0.029 0.000 1.169 400 A CA 1.441 53.470 52.037 -0.014 0.000 0.635 400 A CB -0.461 18.568 19.000 0.048 0.000 0.810 400 A HN 0.334 nan 8.150 nan 0.000 0.445 401 Q N -0.559 119.241 119.800 0.000 0.000 2.050 401 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 401 Q C 1.964 177.968 176.000 0.007 0.000 0.980 401 Q CA 2.133 57.938 55.803 0.004 0.000 0.840 401 Q CB -0.284 28.460 28.738 0.010 0.000 0.898 401 Q HN 0.578 nan 8.270 nan 0.000 0.424 402 T N 1.588 116.144 114.554 0.005 0.000 2.788 402 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 402 T C 1.707 176.412 174.700 0.009 0.000 1.044 402 T CA 1.136 63.241 62.100 0.007 0.000 1.139 402 T CB -0.264 68.606 68.868 0.004 0.000 0.867 402 T HN 0.198 nan 8.240 nan 0.000 0.454 403 L N 1.301 122.508 121.223 -0.026 0.000 1.976 403 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 403 L C 2.530 179.486 176.870 0.145 0.000 1.071 403 L CA 1.754 56.580 54.840 -0.023 0.000 0.746 403 L CB -0.496 41.424 42.059 -0.232 0.000 0.890 403 L HN 0.063 nan 8.230 nan 0.000 0.432 404 R N -0.707 119.833 120.500 0.068 0.000 2.091 404 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 404 R C 2.151 178.568 176.300 0.195 0.000 1.136 404 R CA 1.349 57.506 56.100 0.094 0.000 0.959 404 R CB -0.721 29.571 30.300 -0.013 0.000 0.856 404 R HN 0.530 nan 8.270 nan 0.000 0.437 405 A N 0.409 123.297 122.820 0.115 0.000 2.131 405 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 405 A C 2.000 179.655 177.584 0.118 0.000 1.158 405 A CA 1.511 53.608 52.037 0.099 0.000 0.665 405 A CB -0.234 18.798 19.000 0.053 0.000 0.795 405 A HN 0.220 nan 8.150 nan 0.000 0.460 406 S N -1.047 114.734 115.700 0.136 0.000 2.489 406 S HA 0.143 4.613 4.470 -0.000 0.000 0.228 406 S C -0.132 174.477 174.600 0.015 0.000 0.995 406 S CA 0.106 58.325 58.200 0.032 0.000 0.934 406 S CB -0.241 62.901 63.200 -0.096 0.000 0.771 406 S HN 0.466 nan 8.310 nan 0.000 0.522 407 F N 2.506 122.495 119.950 0.065 0.000 2.368 407 F HA 0.389 4.916 4.527 -0.000 0.000 0.362 407 F C 1.324 177.178 175.800 0.090 0.000 1.137 407 F CA -0.947 57.120 58.000 0.112 0.000 1.161 407 F CB 0.639 39.684 39.000 0.075 0.000 1.265 407 F HN -0.178 nan 8.300 nan 0.000 0.530 408 R N 0.457 121.079 120.500 0.203 0.000 2.115 408 R HA 0.018 4.357 4.340 -0.000 0.000 0.230 408 R C 0.347 176.744 176.300 0.162 0.000 1.111 408 R CA 0.404 56.589 56.100 0.141 0.000 0.976 408 R CB -0.444 29.901 30.300 0.074 0.000 0.870 408 R HN 0.353 nan 8.270 nan 0.000 0.445 409 S N 1.041 116.865 115.700 0.207 0.000 2.489 409 S HA 0.467 4.937 4.470 -0.000 0.000 0.291 409 S C -0.474 174.226 174.600 0.168 0.000 1.151 409 S CA -0.697 57.629 58.200 0.211 0.000 1.082 409 S CB 1.690 65.078 63.200 0.313 0.000 1.019 409 S HN 0.061 nan 8.310 nan 0.000 0.492 410 L N 3.603 124.877 121.223 0.086 0.000 2.354 410 L HA 0.827 5.167 4.340 -0.000 0.000 0.269 410 L C -1.436 175.430 176.870 -0.007 0.000 1.005 410 L CA -0.499 54.368 54.840 0.045 0.000 0.819 410 L CB 1.896 43.976 42.059 0.036 0.000 1.311 410 L HN 0.448 nan 8.230 nan 0.000 0.423 411 V N 4.574 124.492 119.914 0.006 0.000 2.623 411 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 411 V C -0.959 175.154 176.094 0.032 0.000 1.054 411 V CA -0.613 61.689 62.300 0.003 0.000 0.882 411 V CB 2.106 33.932 31.823 0.005 0.000 1.002 411 V HN 0.521 nan 8.190 nan 0.000 0.424 412 V N 6.572 126.529 119.914 0.072 0.000 2.334 412 V HA 0.370 4.490 4.120 -0.000 0.000 0.281 412 V C 0.520 176.687 176.094 0.121 0.000 1.016 412 V CA -0.184 62.170 62.300 0.091 0.000 0.832 412 V CB 1.613 33.493 31.823 0.096 0.000 0.999 412 V HN 0.763 nan 8.190 nan 0.000 0.439 413 L N 4.099 125.367 121.223 0.074 0.000 2.629 413 L HA 0.436 4.776 4.340 -0.000 0.000 0.230 413 L C 1.163 178.071 176.870 0.063 0.000 1.151 413 L CA 0.437 55.313 54.840 0.059 0.000 0.924 413 L CB -0.213 41.868 42.059 0.038 0.000 1.137 413 L HN 0.984 nan 8.230 nan 0.000 0.457 414 G N -0.043 108.808 108.800 0.084 0.000 3.129 414 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.686 414 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.686 414 G C -0.013 174.913 174.900 0.042 0.000 0.989 414 G CA -0.383 44.759 45.100 0.071 0.000 0.810 414 G HN 0.396 nan 8.290 nan 0.000 0.539 415 G N 0.096 108.916 108.800 0.033 0.000 2.753 415 G HA2 0.865 4.825 3.960 -0.000 0.000 0.285 415 G HA3 0.865 4.825 3.960 -0.000 0.000 0.285 415 G C 0.458 175.369 174.900 0.018 0.000 1.344 415 G CA 0.598 45.711 45.100 0.022 0.000 1.050 415 G HN 1.799 nan 8.290 nan 0.000 0.532 416 S N -1.524 114.184 115.700 0.014 0.000 2.592 416 S HA 0.152 4.622 4.470 -0.000 0.000 0.271 416 S C 1.713 176.319 174.600 0.010 0.000 1.326 416 S CA -0.287 57.920 58.200 0.011 0.000 1.024 416 S CB 0.692 63.898 63.200 0.010 0.000 0.921 416 S HN 0.630 nan 8.310 nan 0.000 0.527 417 R N 1.395 121.900 120.500 0.008 0.000 2.307 417 R HA 0.022 4.362 4.340 -0.000 0.000 0.199 417 R C 1.529 177.831 176.300 0.005 0.000 1.000 417 R CA 1.209 57.313 56.100 0.006 0.000 1.023 417 R CB -1.096 29.207 30.300 0.006 0.000 0.908 417 R HN 0.702 nan 8.270 nan 0.000 0.473 418 T N -2.292 112.265 114.554 0.005 0.000 3.113 418 T HA -0.069 4.281 4.350 -0.000 0.000 0.256 418 T C 0.345 175.048 174.700 0.004 0.000 1.131 418 T CA 0.513 62.616 62.100 0.004 0.000 1.074 418 T CB 0.079 68.950 68.868 0.005 0.000 0.944 418 T HN 0.146 nan 8.240 nan 0.000 0.516 419 D N 2.163 122.566 120.400 0.005 0.000 2.517 419 D HA 0.293 4.933 4.640 -0.000 0.000 0.301 419 D C -1.513 174.789 176.300 0.002 0.000 1.202 419 D CA -2.561 51.442 54.000 0.004 0.000 0.910 419 D CB 1.346 42.149 40.800 0.005 0.000 1.021 419 D HN 0.046 nan 8.370 nan 0.000 0.499 420 P HA -0.150 nan 4.420 nan 0.000 0.222 420 P C 1.052 178.350 177.300 -0.003 0.000 1.147 420 P CA 0.687 63.787 63.100 -0.001 0.000 0.790 420 P CB 0.602 32.302 31.700 -0.001 0.000 0.780 421 K N -0.276 120.123 120.400 -0.002 0.000 2.001 421 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 421 K C 2.245 178.843 176.600 -0.005 0.000 1.048 421 K CA 1.810 58.096 56.287 -0.003 0.000 0.932 421 K CB -0.844 31.656 32.500 -0.001 0.000 0.715 421 K HN 0.106 nan 8.250 nan 0.000 0.437 422 T N 1.821 116.373 114.554 -0.003 0.000 2.746 422 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 422 T C 1.558 176.253 174.700 -0.008 0.000 1.039 422 T CA 1.301 63.398 62.100 -0.005 0.000 1.142 422 T CB -0.284 68.583 68.868 -0.001 0.000 0.866 422 T HN 0.198 nan 8.240 nan 0.000 0.444 423 N N 1.027 119.723 118.700 -0.006 0.000 2.205 423 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 423 N C 1.940 177.438 175.510 -0.020 0.000 1.015 423 N CA 1.162 54.206 53.050 -0.010 0.000 0.862 423 N CB -0.321 38.163 38.487 -0.006 0.000 0.986 423 N HN 0.489 nan 8.380 nan 0.000 0.429 424 E N 1.404 121.594 120.200 -0.016 0.000 2.046 424 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 424 E C 1.062 177.649 176.600 -0.023 0.000 0.982 424 E CA 1.296 57.684 56.400 -0.019 0.000 0.800 424 E CB -0.182 29.510 29.700 -0.014 0.000 0.756 424 E HN 0.145 nan 8.360 nan 0.000 0.449 425 D N -0.177 120.213 120.400 -0.018 0.000 2.104 425 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 425 D C 1.857 178.142 176.300 -0.026 0.000 0.994 425 D CA 1.270 55.259 54.000 -0.018 0.000 0.830 425 D CB -0.211 40.581 40.800 -0.014 0.000 0.959 425 D HN 0.259 nan 8.370 nan 0.000 0.452 426 M N 0.392 119.975 119.600 -0.028 0.000 2.117 426 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 426 M C 2.355 178.616 176.300 -0.064 0.000 1.065 426 M CA 0.860 56.137 55.300 -0.038 0.000 1.114 426 M CB -1.199 31.383 32.600 -0.030 0.000 1.361 426 M HN -0.044 nan 8.290 nan 0.000 0.408 427 S N 0.660 116.320 115.700 -0.066 0.000 2.348 427 S HA -0.105 4.365 4.470 -0.000 0.000 0.221 427 S C 1.994 176.551 174.600 -0.072 0.000 1.033 427 S CA 1.007 59.155 58.200 -0.087 0.000 1.010 427 S CB -0.257 62.903 63.200 -0.066 0.000 0.891 427 S HN 0.485 nan 8.310 nan 0.000 0.442 428 L N 0.867 122.061 121.223 -0.048 0.000 2.083 428 L HA -0.072 4.267 4.340 -0.000 0.000 0.209 428 L C 2.440 179.290 176.870 -0.033 0.000 1.083 428 L CA 1.469 56.287 54.840 -0.037 0.000 0.752 428 L CB -0.530 41.514 42.059 -0.025 0.000 0.899 428 L HN 0.364 nan 8.230 nan 0.000 0.433 429 S N -0.087 115.593 115.700 -0.032 0.000 2.368 429 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 429 S C 1.726 176.310 174.600 -0.027 0.000 1.030 429 S CA 0.857 59.044 58.200 -0.022 0.000 0.999 429 S CB -0.194 62.995 63.200 -0.018 0.000 0.844 429 S HN 0.231 nan 8.310 nan 0.000 0.459 430 L N 1.074 122.263 121.223 -0.056 0.000 2.265 430 L HA 0.138 4.478 4.340 -0.000 0.000 0.215 430 L C 1.435 178.275 176.870 -0.050 0.000 1.117 430 L CA 1.322 56.120 54.840 -0.071 0.000 0.782 430 L CB -1.975 39.989 42.059 -0.159 0.000 0.914 430 L HN 0.479 nan 8.230 nan 0.000 0.441 431 G N -0.470 108.302 108.800 -0.047 0.000 2.746 431 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.685 431 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.685 431 G C -0.285 174.580 174.900 -0.058 0.000 1.350 431 G CA -0.539 44.541 45.100 -0.034 0.000 0.837 431 G HN 0.230 nan 8.290 nan 0.000 0.564 432 E N -0.269 119.904 120.200 -0.046 0.000 2.259 432 E HA 0.680 5.030 4.350 -0.000 0.000 0.257 432 E C 0.249 176.836 176.600 -0.021 0.000 0.998 432 E CA -0.546 55.811 56.400 -0.072 0.000 0.866 432 E CB 1.517 31.190 29.700 -0.045 0.000 1.220 432 E HN 0.846 nan 8.360 nan 0.000 0.415 433 H N -1.581 117.398 119.070 -0.151 0.000 2.961 433 H HA 0.492 5.048 4.556 -0.000 0.000 0.371 433 H C -1.273 173.837 175.328 -0.364 0.000 1.190 433 H CA -0.989 54.900 56.048 -0.266 0.000 1.138 433 H CB 1.931 31.533 29.762 -0.267 0.000 1.816 433 H HN 0.382 nan 8.280 nan 0.000 0.551 434 E N 2.553 122.507 120.200 -0.411 0.000 2.151 434 E HA 0.456 4.806 4.350 -0.000 0.000 0.275 434 E C -1.504 174.660 176.600 -0.725 0.000 0.936 434 E CA -0.852 55.295 56.400 -0.422 0.000 0.777 434 E CB 2.018 31.532 29.700 -0.309 0.000 1.108 434 E HN 0.400 nan 8.360 nan 0.000 0.401 435 V N 3.577 123.113 119.914 -0.630 0.000 3.040 435 V HA 0.335 4.455 4.120 -0.000 0.000 0.312 435 V C -0.951 174.952 176.094 -0.318 0.000 1.115 435 V CA -0.725 61.159 62.300 -0.694 0.000 0.998 435 V CB 2.321 33.448 31.823 -1.160 0.000 1.042 435 V HN 0.729 nan 8.190 nan 0.000 0.433 436 E N 2.640 122.735 120.200 -0.175 0.000 2.145 436 E HA 0.560 4.910 4.350 -0.000 0.000 0.270 436 E C -0.532 176.104 176.600 0.061 0.000 0.906 436 E CA -0.386 55.989 56.400 -0.041 0.000 0.761 436 E CB 1.511 31.201 29.700 -0.016 0.000 1.116 436 E HN 0.527 nan 8.360 nan 0.000 0.408 437 R N 2.279 122.812 120.500 0.056 0.000 3.151 437 R HA 0.409 4.749 4.340 -0.000 0.000 0.231 437 R C -0.869 175.472 176.300 0.068 0.000 1.511 437 R CA -0.616 55.545 56.100 0.101 0.000 1.047 437 R CB 1.110 31.480 30.300 0.116 0.000 1.565 437 R HN 0.458 nan 8.270 nan 0.000 0.513 454 L N 0.881 122.112 121.223 0.015 0.000 2.376 454 L HA 0.709 5.049 4.340 -0.000 0.000 0.267 454 L C -0.006 176.871 176.870 0.011 0.000 1.035 454 L CA -0.533 54.318 54.840 0.017 0.000 0.800 454 L CB 1.553 43.621 42.059 0.016 0.000 1.290 454 L HN 0.837 nan 8.230 nan 0.000 0.462 455 E N 0.145 120.351 120.200 0.010 0.000 2.413 455 E HA 0.532 4.882 4.350 -0.000 0.000 0.277 455 E C -1.602 174.988 176.600 -0.015 0.000 0.958 455 E CA -1.143 55.258 56.400 0.001 0.000 0.779 455 E CB 1.796 31.502 29.700 0.009 0.000 1.278 455 E HN 0.341 nan 8.360 nan 0.000 0.456 456 R N 1.346 121.828 120.500 -0.029 0.000 2.460 456 R HA 0.678 5.018 4.340 -0.000 0.000 0.303 456 R C -0.883 175.383 176.300 -0.057 0.000 0.968 456 R CA -1.060 55.004 56.100 -0.060 0.000 0.889 456 R CB 1.530 31.791 30.300 -0.065 0.000 1.123 456 R HN 0.405 nan 8.270 nan 0.000 0.455 457 V N 2.785 122.647 119.914 -0.087 0.000 2.841 457 V HA 0.472 4.592 4.120 -0.000 0.000 0.310 457 V C -0.126 175.920 176.094 -0.080 0.000 1.090 457 V CA -0.947 61.318 62.300 -0.059 0.000 0.930 457 V CB 2.826 34.639 31.823 -0.018 0.000 1.014 457 V HN 0.623 nan 8.190 nan 0.000 0.425 458 R N 2.754 123.230 120.500 -0.039 0.000 2.393 458 R HA 0.746 5.086 4.340 -0.000 0.000 0.310 458 R C -0.863 175.446 176.300 0.016 0.000 0.968 458 R CA -0.456 55.628 56.100 -0.026 0.000 0.867 458 R CB 1.687 31.965 30.300 -0.036 0.000 1.124 458 R HN 0.970 nan 8.270 nan 0.000 0.450 459 E N 2.435 122.660 120.200 0.042 0.000 2.401 459 E HA 0.344 4.694 4.350 -0.000 0.000 0.280 459 E C -1.128 175.422 176.600 -0.083 0.000 1.039 459 E CA -1.235 55.175 56.400 0.017 0.000 0.814 459 E CB 1.084 30.843 29.700 0.098 0.000 1.275 459 E HN 0.117 nan 8.360 nan 0.000 0.448 460 R N 1.028 121.494 120.500 -0.057 0.000 2.491 460 R HA 0.117 4.457 4.340 -0.000 0.000 0.283 460 R C 0.875 177.107 176.300 -0.113 0.000 1.072 460 R CA -0.146 55.899 56.100 -0.091 0.000 1.048 460 R CB 0.845 31.113 30.300 -0.054 0.000 0.983 460 R HN 0.521 nan 8.270 nan 0.000 0.450 461 V N 2.497 122.299 119.914 -0.188 0.000 2.515 461 V HA -0.103 4.017 4.120 -0.000 0.000 0.250 461 V C 0.907 177.037 176.094 0.062 0.000 1.058 461 V CA 1.346 63.587 62.300 -0.097 0.000 1.064 461 V CB 0.059 31.814 31.823 -0.115 0.000 0.675 461 V HN 0.394 nan 8.190 nan 0.000 0.461 462 V N 0.828 120.686 119.914 -0.093 0.000 2.482 462 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 462 V C -0.178 175.843 176.094 -0.122 0.000 1.026 462 V CA -0.491 61.707 62.300 -0.171 0.000 0.856 462 V CB 1.623 33.147 31.823 -0.498 0.000 1.001 462 V HN 0.233 nan 8.190 nan 0.000 0.424 463 M N 5.372 124.930 119.600 -0.070 0.000 2.240 463 M HA 0.216 4.695 4.480 -0.000 0.000 0.333 463 M C -1.369 174.903 176.300 -0.048 0.000 1.110 463 M CA -1.182 54.090 55.300 -0.048 0.000 1.173 463 M CB 1.138 33.720 32.600 -0.030 0.000 1.458 463 M HN 0.326 nan 8.290 nan 0.000 0.458 464 P HA -0.154 nan 4.420 nan 0.000 0.215 464 P C 0.818 178.109 177.300 -0.014 0.000 1.153 464 P CA 1.676 64.760 63.100 -0.027 0.000 0.853 464 P CB -0.008 31.680 31.700 -0.020 0.000 0.788 465 A N 0.008 122.822 122.820 -0.010 0.000 1.933 465 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 465 A C 2.115 179.704 177.584 0.008 0.000 1.175 465 A CA 1.671 53.707 52.037 -0.002 0.000 0.628 465 A CB -1.188 17.810 19.000 -0.004 0.000 0.814 465 A HN 0.204 nan 8.150 nan 0.000 0.444 466 E N -0.334 119.870 120.200 0.007 0.000 2.110 466 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 466 E C 1.831 178.477 176.600 0.077 0.000 0.988 466 E CA 1.233 57.657 56.400 0.039 0.000 0.804 466 E CB -0.296 29.427 29.700 0.038 0.000 0.745 466 E HN 0.718 nan 8.360 nan 0.000 0.458 467 I N 0.887 121.485 120.570 0.046 0.000 2.439 467 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 467 I C 2.368 178.518 176.117 0.055 0.000 1.139 467 I CA 0.613 61.955 61.300 0.069 0.000 1.438 467 I CB -0.182 37.828 38.000 0.016 0.000 1.085 467 I HN 0.043 nan 8.210 nan 0.000 0.427 468 A N 0.402 123.241 122.820 0.032 0.000 2.167 468 A HA -0.045 4.274 4.320 -0.000 0.000 0.214 468 A C 1.698 179.297 177.584 0.025 0.000 1.151 468 A CA 0.973 53.025 52.037 0.024 0.000 0.735 468 A CB -0.294 18.714 19.000 0.013 0.000 0.802 468 A HN 0.383 nan 8.150 nan 0.000 0.467 469 N N -0.350 118.369 118.700 0.032 0.000 2.236 469 N HA 0.189 4.929 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 -0.038 53.028 53.050 0.026 0.000 0.859 469 N CB 0.219 38.718 38.487 0.021 0.000 0.982 469 N HN 0.388 nan 8.380 nan 0.000 0.493 470 L N 3.284 124.535 121.223 0.046 0.000 2.525 470 L HA 0.093 4.433 4.340 -0.000 0.000 0.278 470 L C -1.630 175.249 176.870 0.016 0.000 1.218 470 L CA -0.852 54.010 54.840 0.037 0.000 0.878 470 L CB 0.098 42.193 42.059 0.059 0.000 1.127 470 L HN -0.082 nan 8.230 nan 0.000 0.492 471 P HA 0.150 nan 4.420 nan 0.000 0.278 471 P C -0.958 176.340 177.300 -0.003 0.000 1.258 471 P CA -0.716 62.383 63.100 -0.002 0.000 0.811 471 P CB 0.806 32.501 31.700 -0.009 0.000 1.063 472 D N 0.862 121.262 120.400 -0.000 0.000 2.364 472 D HA 0.012 4.652 4.640 -0.000 0.000 0.236 472 D C 1.179 177.477 176.300 -0.005 0.000 1.221 472 D CA 0.206 54.207 54.000 0.001 0.000 0.891 472 D CB 0.112 40.914 40.800 0.003 0.000 1.190 472 D HN 0.437 nan 8.370 nan 0.000 0.449 473 L N -0.874 120.349 121.223 -0.001 0.000 3.843 473 L HA -0.241 4.099 4.340 -0.000 0.000 0.411 473 L C -0.194 176.664 176.870 -0.019 0.000 1.205 473 L CA 0.647 55.485 54.840 -0.004 0.000 0.945 473 L CB -2.025 40.032 42.059 -0.003 0.000 1.929 473 L HN 0.320 nan 8.230 nan 0.000 0.934 474 T N -0.375 114.162 114.554 -0.029 0.000 2.879 474 T HA 0.806 5.155 4.350 -0.000 0.000 0.290 474 T C -0.083 174.571 174.700 -0.077 0.000 0.993 474 T CA 0.093 62.154 62.100 -0.066 0.000 0.975 474 T CB 2.109 70.932 68.868 -0.076 0.000 0.981 474 T HN 0.369 nan 8.240 nan 0.000 0.439 475 A N 2.575 125.323 122.820 -0.120 0.000 2.539 475 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 475 A C -1.920 175.553 177.584 -0.185 0.000 1.073 475 A CA -0.782 51.198 52.037 -0.095 0.000 0.700 475 A CB 1.154 20.139 19.000 -0.025 0.000 1.296 475 A HN 0.789 nan 8.150 nan 0.000 0.405 476 Y N 0.667 120.953 120.300 -0.023 0.000 2.326 476 Y HA 0.460 5.010 4.550 -0.000 0.000 0.337 476 Y C 0.146 176.002 175.900 -0.073 0.000 1.023 476 Y CA -0.040 58.041 58.100 -0.031 0.000 1.143 476 Y CB 1.780 40.230 38.460 -0.016 0.000 1.183 476 Y HN 0.365 nan 8.280 nan 0.000 0.485 477 V N 3.379 123.299 119.914 0.009 0.000 2.347 477 V HA 0.570 4.690 4.120 -0.000 0.000 0.280 477 V C 0.232 176.211 176.094 -0.192 0.000 1.021 477 V CA -0.653 61.540 62.300 -0.178 0.000 0.847 477 V CB 1.343 32.983 31.823 -0.304 0.000 0.990 477 V HN 0.933 nan 8.190 nan 0.000 0.444 478 G N 4.514 113.194 108.800 -0.200 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 -0.656 174.205 174.900 -0.065 0.000 1.490 478 G CA -0.303 44.744 45.100 -0.088 0.000 1.068 478 G HN 0.353 nan 8.290 nan 0.000 0.492 479 F N 1.730 121.726 119.950 0.077 0.000 2.496 479 F HA 0.447 4.974 4.527 -0.000 0.000 0.344 479 F C 1.309 177.144 175.800 0.058 0.000 1.155 479 F CA -0.104 57.938 58.000 0.070 0.000 1.302 479 F CB 0.908 39.945 39.000 0.061 0.000 1.159 479 F HN 0.535 nan 8.300 nan 0.000 0.595 480 A N 1.712 124.705 122.820 0.288 0.000 2.466 480 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 480 A C 0.819 178.475 177.584 0.120 0.000 1.074 480 A CA 0.460 52.592 52.037 0.158 0.000 0.774 480 A CB -0.754 18.315 19.000 0.114 0.000 1.015 480 A HN 1.648 nan 8.150 nan 0.000 0.498 481 G N 0.736 109.586 108.800 0.083 0.000 2.545 481 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 481 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 481 G C -0.033 174.908 174.900 0.067 0.000 1.314 481 G CA 0.191 45.328 45.100 0.061 0.000 0.906 481 G HN 1.599 nan 8.290 nan 0.000 0.563 482 N N 1.644 120.375 118.700 0.053 0.000 3.298 482 N HA 0.370 5.110 4.740 -0.000 0.000 0.292 482 N C 0.287 175.830 175.510 0.056 0.000 1.271 482 N CA -0.006 53.075 53.050 0.052 0.000 1.184 482 N CB -0.261 38.249 38.487 0.037 0.000 1.452 482 N HN 0.621 nan 8.380 nan 0.000 0.534 483 R N 1.251 121.799 120.500 0.080 0.000 2.744 483 R HA 0.538 4.878 4.340 -0.000 0.000 0.279 483 R C -2.644 173.711 176.300 0.091 0.000 0.977 483 R CA -1.667 54.489 56.100 0.093 0.000 0.906 483 R CB 1.165 31.556 30.300 0.152 0.000 1.197 483 R HN 0.282 nan 8.270 nan 0.000 0.463 484 P HA 0.237 nan 4.420 nan 0.000 0.274 484 P C -0.030 177.327 177.300 0.095 0.000 1.246 484 P CA -0.434 62.706 63.100 0.067 0.000 0.795 484 P CB 0.776 32.497 31.700 0.035 0.000 1.006 485 I N -1.991 118.638 120.570 0.098 0.000 2.783 485 I HA 0.820 4.990 4.170 -0.000 0.000 0.312 485 I C -0.531 175.666 176.117 0.133 0.000 0.988 485 I CA -1.190 60.173 61.300 0.105 0.000 1.182 485 I CB 1.596 39.667 38.000 0.120 0.000 1.368 485 I HN 0.395 nan 8.210 nan 0.000 0.511 486 A N 3.201 126.097 122.820 0.126 0.000 2.574 486 A HA 0.501 4.821 4.320 -0.000 0.000 0.297 486 A C -1.088 176.502 177.584 0.010 0.000 1.062 486 A CA -0.861 51.234 52.037 0.096 0.000 0.686 486 A CB 1.588 20.623 19.000 0.059 0.000 1.285 486 A HN 0.792 nan 8.150 nan 0.000 0.403 487 K N 2.132 122.474 120.400 -0.097 0.000 2.263 487 K HA 0.562 4.882 4.320 -0.000 0.000 0.282 487 K C -1.248 175.232 176.600 -0.201 0.000 1.089 487 K CA -0.148 55.910 56.287 -0.382 0.000 0.907 487 K CB 0.507 32.709 32.500 -0.496 0.000 1.148 487 K HN 0.461 nan 8.250 nan 0.000 0.470 488 V N 6.166 125.977 119.914 -0.171 0.000 2.715 488 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 488 V C -2.194 173.850 176.094 -0.083 0.000 1.054 488 V CA -1.996 60.250 62.300 -0.089 0.000 0.928 488 V CB 1.723 33.520 31.823 -0.043 0.000 1.007 488 V HN 0.819 nan 8.190 nan 0.000 0.437 489 P HA 0.317 nan 4.420 nan 0.000 0.286 489 P C -0.982 176.308 177.300 -0.018 0.000 1.269 489 P CA -0.321 62.756 63.100 -0.039 0.000 0.787 489 P CB 1.481 33.163 31.700 -0.030 0.000 0.920 490 L N 3.846 125.061 121.223 -0.013 0.000 2.260 490 L HA 0.240 4.580 4.340 -0.000 0.000 0.289 490 L C 0.651 177.525 176.870 0.007 0.000 1.057 490 L CA -0.450 54.394 54.840 0.006 0.000 0.811 490 L CB 0.534 42.600 42.059 0.011 0.000 1.184 490 L HN 0.363 nan 8.230 nan 0.000 0.429 491 E N 5.666 125.874 120.200 0.012 0.000 2.283 491 E HA 0.257 4.607 4.350 -0.000 0.000 0.278 491 E C -0.543 176.060 176.600 0.005 0.000 1.027 491 E CA -0.486 55.915 56.400 0.002 0.000 0.843 491 E CB 1.871 31.568 29.700 -0.005 0.000 1.062 491 E HN 0.522 nan 8.360 nan 0.000 0.401 492 I N 3.575 124.140 120.570 -0.009 0.000 2.293 492 I HA 0.047 4.217 4.170 -0.000 0.000 0.299 492 I C 0.584 176.666 176.117 -0.057 0.000 1.153 492 I CA -0.064 61.231 61.300 -0.007 0.000 1.302 492 I CB -0.144 37.850 38.000 -0.010 0.000 1.460 492 I HN 0.286 nan 8.210 nan 0.000 0.552 493 K N 5.288 125.639 120.400 -0.081 0.000 2.185 493 K HA 0.201 4.521 4.320 -0.000 0.000 0.271 493 K C -0.245 176.089 176.600 -0.443 0.000 1.013 493 K CA -0.595 55.511 56.287 -0.302 0.000 0.943 493 K CB 0.817 33.053 32.500 -0.439 0.000 0.998 493 K HN 0.400 nan 8.250 nan 0.000 0.468 494 Q N 3.035 122.518 119.800 -0.527 0.000 2.257 494 Q HA 0.296 4.636 4.340 -0.000 0.000 0.255 494 Q C -1.116 174.503 176.000 -0.635 0.000 0.920 494 Q CA -0.143 55.422 55.803 -0.398 0.000 0.927 494 Q CB 1.043 29.650 28.738 -0.219 0.000 1.229 494 Q HN 0.418 nan 8.270 nan 0.000 0.433 495 F N 0.394 120.284 119.950 -0.100 0.000 2.493 495 F HA 0.518 5.045 4.527 -0.000 0.000 0.329 495 F C 0.438 176.175 175.800 -0.104 0.000 1.126 495 F CA -1.122 56.817 58.000 -0.103 0.000 0.937 495 F CB 1.485 40.415 39.000 -0.117 0.000 1.146 495 F HN 0.495 nan 8.300 nan 0.000 0.442 496 A N 2.700 125.571 122.820 0.085 0.000 2.477 496 A HA 0.158 4.478 4.320 -0.000 0.000 0.246 496 A C 0.167 177.750 177.584 -0.002 0.000 1.078 496 A CA -0.428 51.625 52.037 0.026 0.000 0.770 496 A CB -0.087 18.928 19.000 0.026 0.000 1.011 496 A HN 0.897 nan 8.150 nan 0.000 0.494 497 N N 1.578 120.259 118.700 -0.033 0.000 2.605 497 N HA 0.083 4.823 4.740 -0.000 0.000 0.258 497 N C 0.602 176.078 175.510 -0.058 0.000 1.156 497 N CA -0.188 52.821 53.050 -0.068 0.000 1.008 497 N CB 0.360 38.807 38.487 -0.068 0.000 1.354 497 N HN 0.666 nan 8.380 nan 0.000 0.509 498 R N 1.636 122.101 120.500 -0.057 0.000 2.823 498 R HA 0.136 4.476 4.340 -0.000 0.000 0.250 498 R C -0.179 176.082 176.300 -0.065 0.000 1.332 498 R CA -0.004 56.073 56.100 -0.039 0.000 1.259 498 R CB -0.047 30.250 30.300 -0.004 0.000 1.225 498 R HN 0.483 nan 8.270 nan 0.000 0.545 499 Q N 0.560 120.309 119.800 -0.085 0.000 2.964 499 Q HA 0.115 4.455 4.340 -0.000 0.000 0.215 499 Q C -2.962 172.975 176.000 -0.105 0.000 1.019 499 Q CA -1.279 54.464 55.803 -0.100 0.000 0.990 499 Q CB 1.855 30.512 28.738 -0.136 0.000 2.131 499 Q HN 0.143 nan 8.270 nan 0.000 0.522 500 P HA 0.109 nan 4.420 nan 0.000 0.275 500 P C -0.340 176.917 177.300 -0.071 0.000 1.227 500 P CA 0.348 63.407 63.100 -0.069 0.000 0.781 500 P CB 1.274 32.940 31.700 -0.056 0.000 0.906 501 A N 3.491 126.286 122.820 -0.042 0.000 1.930 501 A HA -0.013 4.306 4.320 -0.000 0.000 0.217 501 A C 0.652 178.293 177.584 0.095 0.000 1.175 501 A CA 1.249 53.270 52.037 -0.027 0.000 0.627 501 A CB -0.587 18.389 19.000 -0.040 0.000 0.815 501 A HN 0.581 nan 8.150 nan 0.000 0.443 502 F N -1.679 118.224 119.950 -0.078 0.000 2.588 502 F HA 0.570 5.097 4.527 -0.000 0.000 0.310 502 F C -1.306 174.472 175.800 -0.036 0.000 1.082 502 F CA -1.434 56.537 58.000 -0.048 0.000 0.929 502 F CB 2.147 41.126 39.000 -0.036 0.000 1.254 502 F HN -0.219 nan 8.300 nan 0.000 0.455 503 V N 4.246 123.758 119.914 -0.670 0.000 2.439 503 V HA 0.211 4.331 4.120 -0.000 0.000 0.277 503 V C -0.668 174.957 176.094 -0.782 0.000 1.008 503 V CA -0.814 61.172 62.300 -0.523 0.000 0.846 503 V CB 1.099 32.753 31.823 -0.281 0.000 1.031 503 V HN 0.702 nan 8.190 nan 0.000 0.441 504 E N 3.420 123.198 120.200 -0.703 0.000 2.752 504 E HA 0.124 4.474 4.350 -0.000 0.000 0.241 504 E C 0.906 177.359 176.600 -0.244 0.000 1.016 504 E CA 0.561 56.688 56.400 -0.455 0.000 0.952 504 E CB 0.679 30.317 29.700 -0.104 0.000 0.921 504 E HN 0.777 nan 8.360 nan 0.000 0.515 505 G N 4.462 113.151 108.800 -0.186 0.000 2.605 505 G HA2 0.283 4.242 3.960 -0.000 0.000 0.301 505 G HA3 0.283 4.242 3.960 -0.000 0.000 0.301 505 G C -0.311 174.569 174.900 -0.034 0.000 0.881 505 G CA -0.156 44.887 45.100 -0.095 0.000 1.553 505 G HN 0.484 nan 8.290 nan 0.000 0.483 506 T N 0.000 114.532 114.554 -0.037 0.000 3.816 506 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 506 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 506 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658