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 2gvc_1_D DATA FIRST_RESID 3 DATA SEQUENCE LPTIRKIAII GAGPSGLVTA KALLAEKAFD QVTLFERRGS PGGVWNYTST DATA SEQUENCE LSNKLPVPST NPILTTEPIV GPAALPVYPS PLYRDLQTNT PIELXGYCDQ DATA SEQUENCE SFKPQTLQFP HRHTIQEYQR IYAQPLLPFI KLATDVLDIE KKDGSWVVTY DATA SEQUENCE KGTKAGSPIS KDIFDAVSIC NGHYEVPYIP NIKGLDEYAK AVPGSVLHSS DATA SEQUENCE LFREPELFVG ESVLVVGGAS SANDLVRHLT PVAKHPIYQS LLGGGDIQNE DATA SEQUENCE SLQQVPEITK FDPTTREIYL KGGKVLSNID RVIYCTGYLY SVPFPSLAKL DATA SEQUENCE KSPETKLIDD GSHVHNVYQH IFYIPDPTLA FVGLALHVVP FPTSQAQAAF DATA SEQUENCE LARVWSGRLK LPSKEEQLKW QDELXFSLSG ANNXYHSLDY PKDATYINKL DATA SEQUENCE HDWCKQATPV LEEEFPSPYW GEKERSIREN XWSIRAKFFG IE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.879 176.870 0.016 0.000 1.165 3 L CA 0.000 54.841 54.840 0.002 0.000 0.813 3 L CB 0.000 42.053 42.059 -0.009 0.000 0.961 4 P HA 0.011 nan 4.420 nan 0.000 0.213 4 P C 0.088 177.411 177.300 0.039 0.000 1.170 4 P CA 0.893 64.013 63.100 0.034 0.000 0.889 4 P CB 0.184 31.899 31.700 0.025 0.000 0.782 5 T N 1.983 116.554 114.554 0.028 0.000 2.933 5 T HA 0.156 4.505 4.350 -0.000 0.000 0.263 5 T C 0.526 175.255 174.700 0.048 0.000 0.925 5 T CA 0.241 62.363 62.100 0.036 0.000 1.156 5 T CB -1.138 67.742 68.868 0.020 0.000 0.916 5 T HN -0.034 nan 8.240 nan 0.000 0.601 6 I N 3.862 124.484 120.570 0.087 0.000 2.441 6 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 6 I C 1.347 177.606 176.117 0.238 0.000 1.049 6 I CA -0.407 60.951 61.300 0.095 0.000 1.381 6 I CB 0.977 38.986 38.000 0.016 0.000 1.409 6 I HN 0.407 nan 8.210 nan 0.000 0.523 7 R N 4.025 124.623 120.500 0.163 0.000 2.470 7 R HA 0.277 4.617 4.340 -0.000 0.000 0.210 7 R C -0.188 176.214 176.300 0.169 0.000 0.873 7 R CA 0.231 56.453 56.100 0.202 0.000 1.015 7 R CB 0.315 30.674 30.300 0.098 0.000 1.348 7 R HN 0.472 nan 8.270 nan 0.000 0.650 8 K N 1.189 121.644 120.400 0.091 0.000 2.413 8 K HA 0.554 4.874 4.320 -0.000 0.000 0.257 8 K C -0.665 176.036 176.600 0.167 0.000 0.946 8 K CA -0.295 56.071 56.287 0.131 0.000 0.823 8 K CB 2.452 34.986 32.500 0.056 0.000 1.109 8 K HN -0.129 nan 8.250 nan 0.000 0.427 9 I N 1.902 122.540 120.570 0.114 0.000 2.545 9 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 9 I C -0.593 175.350 176.117 -0.289 0.000 1.040 9 I CA -0.948 60.261 61.300 -0.150 0.000 1.068 9 I CB 2.132 39.894 38.000 -0.398 0.000 1.251 9 I HN 0.606 nan 8.210 nan 0.000 0.424 10 A N 7.263 129.666 122.820 -0.694 0.000 2.318 10 A HA 0.838 5.158 4.320 -0.000 0.000 0.324 10 A C -0.729 176.592 177.584 -0.438 0.000 1.170 10 A CA -0.451 51.044 52.037 -0.904 0.000 0.810 10 A CB 0.705 18.773 19.000 -1.555 0.000 1.198 10 A HN 0.663 nan 8.150 nan 0.000 0.484 11 I N 3.600 124.019 120.570 -0.252 0.000 2.389 11 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 11 I C -0.738 175.324 176.117 -0.093 0.000 0.999 11 I CA -0.616 60.578 61.300 -0.176 0.000 1.129 11 I CB 1.641 39.555 38.000 -0.143 0.000 1.288 11 I HN 0.423 nan 8.210 nan 0.000 0.444 12 I N 5.672 126.150 120.570 -0.154 0.000 2.291 12 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 12 I C 0.674 176.764 176.117 -0.045 0.000 1.050 12 I CA -0.164 61.071 61.300 -0.108 0.000 1.245 12 I CB -0.167 37.692 38.000 -0.236 0.000 1.405 12 I HN 0.818 nan 8.210 nan 0.000 0.478 13 G N 4.693 113.494 108.800 0.001 0.000 3.069 13 G HA2 0.186 4.146 3.960 -0.000 0.000 0.686 13 G HA3 0.186 4.146 3.960 -0.000 0.000 0.686 13 G C -0.396 174.504 174.900 0.001 0.000 1.161 13 G CA -0.387 44.714 45.100 0.001 0.000 0.804 13 G HN 0.919 nan 8.290 nan 0.000 0.608 14 A N 1.351 124.179 122.820 0.013 0.000 2.793 14 A HA 0.799 5.118 4.320 -0.000 0.000 0.301 14 A C 1.231 178.850 177.584 0.057 0.000 1.172 14 A CA 1.076 53.126 52.037 0.022 0.000 0.973 14 A CB -0.144 18.865 19.000 0.016 0.000 1.164 14 A HN 2.125 nan 8.150 nan 0.000 0.542 15 G N -0.227 108.611 108.800 0.063 0.000 2.525 15 G HA2 0.459 4.419 3.960 -0.000 0.000 0.287 15 G HA3 0.459 4.419 3.960 -0.000 0.000 0.287 15 G C -1.400 173.565 174.900 0.108 0.000 1.350 15 G CA -1.295 43.867 45.100 0.104 0.000 1.039 15 G HN 0.073 nan 8.290 nan 0.000 0.513 16 P HA -0.119 nan 4.420 nan 0.000 0.217 16 P C 2.121 179.481 177.300 0.100 0.000 1.151 16 P CA 1.809 64.921 63.100 0.019 0.000 0.849 16 P CB 0.191 31.772 31.700 -0.199 0.000 0.787 17 S N -1.006 114.758 115.700 0.108 0.000 2.371 17 S HA -0.039 4.430 4.470 -0.000 0.000 0.224 17 S C 2.180 176.810 174.600 0.050 0.000 1.029 17 S CA 1.428 59.689 58.200 0.101 0.000 0.978 17 S CB -1.303 61.953 63.200 0.094 0.000 0.833 17 S HN 0.272 nan 8.310 nan 0.000 0.466 18 G N 1.433 110.252 108.800 0.030 0.000 2.421 18 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.217 18 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.217 18 G C 1.322 176.210 174.900 -0.020 0.000 1.143 18 G CA 0.312 45.404 45.100 -0.013 0.000 0.784 18 G HN 0.397 nan 8.290 nan 0.000 0.541 19 L N 0.032 121.274 121.223 0.032 0.000 2.027 19 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 19 L C 2.807 179.696 176.870 0.031 0.000 1.074 19 L CA 0.553 55.415 54.840 0.037 0.000 0.745 19 L CB -0.553 41.602 42.059 0.160 0.000 0.898 19 L HN 0.149 nan 8.230 nan 0.000 0.433 20 V N -0.606 119.362 119.914 0.090 0.000 2.626 20 V HA -0.227 3.893 4.120 -0.000 0.000 0.252 20 V C 2.385 178.439 176.094 -0.067 0.000 1.067 20 V CA 2.244 64.568 62.300 0.039 0.000 1.081 20 V CB -0.131 31.700 31.823 0.013 0.000 0.686 20 V HN 0.496 nan 8.190 nan 0.000 0.468 21 T N 0.380 114.886 114.554 -0.080 0.000 2.821 21 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 21 T C 1.996 176.562 174.700 -0.224 0.000 1.046 21 T CA 1.441 63.448 62.100 -0.154 0.000 1.139 21 T CB -0.375 68.418 68.868 -0.126 0.000 0.871 21 T HN 0.652 nan 8.240 nan 0.000 0.454 22 A N 2.106 124.802 122.820 -0.207 0.000 1.877 22 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 22 A C 2.255 179.636 177.584 -0.338 0.000 1.186 22 A CA 1.453 53.330 52.037 -0.267 0.000 0.620 22 A CB -0.407 18.439 19.000 -0.257 0.000 0.822 22 A HN 0.430 nan 8.150 nan 0.000 0.443 23 K N -0.232 119.967 120.400 -0.334 0.000 2.063 23 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 23 K C 2.337 178.585 176.600 -0.587 0.000 1.048 23 K CA 1.198 57.279 56.287 -0.342 0.000 0.928 23 K CB -0.385 32.014 32.500 -0.167 0.000 0.713 23 K HN 0.445 nan 8.250 nan 0.000 0.442 24 A N 1.807 124.010 122.820 -1.029 0.000 1.877 24 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 24 A C 2.222 179.501 177.584 -0.509 0.000 1.186 24 A CA 1.260 52.434 52.037 -1.439 0.000 0.620 24 A CB -0.728 17.553 19.000 -1.198 0.000 0.822 24 A HN 0.144 nan 8.150 nan 0.000 0.443 25 L N -0.622 120.431 121.223 -0.283 0.000 2.012 25 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 25 L C 2.577 179.521 176.870 0.123 0.000 1.073 25 L CA 1.321 56.173 54.840 0.020 0.000 0.748 25 L CB -0.628 41.364 42.059 -0.112 0.000 0.891 25 L HN 0.373 nan 8.230 nan 0.000 0.431 26 L N -0.395 120.777 121.223 -0.085 0.000 2.191 26 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 26 L C 2.728 179.565 176.870 -0.055 0.000 1.103 26 L CA 0.906 55.691 54.840 -0.091 0.000 0.769 26 L CB -0.694 41.197 42.059 -0.281 0.000 0.908 26 L HN 0.254 nan 8.230 nan 0.000 0.438 27 A N -0.699 122.075 122.820 -0.078 0.000 2.121 27 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 27 A C 2.099 179.685 177.584 0.002 0.000 1.154 27 A CA 0.973 53.004 52.037 -0.010 0.000 0.679 27 A CB -0.210 18.826 19.000 0.060 0.000 0.795 27 A HN 0.303 nan 8.150 nan 0.000 0.458 28 E N 0.089 120.281 120.200 -0.012 0.000 2.274 28 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 28 E C -0.053 176.468 176.600 -0.132 0.000 0.996 28 E CA 0.349 56.708 56.400 -0.068 0.000 0.840 28 E CB -0.064 29.559 29.700 -0.128 0.000 0.772 28 E HN 0.369 nan 8.360 nan 0.000 0.491 29 K N -0.968 119.372 120.400 -0.099 0.000 3.035 29 K HA -0.222 4.098 4.320 -0.000 0.000 0.262 29 K C 0.477 176.969 176.600 -0.181 0.000 1.024 29 K CA 0.859 57.090 56.287 -0.093 0.000 0.748 29 K CB -2.216 30.251 32.500 -0.056 0.000 1.247 29 K HN 0.269 nan 8.250 nan 0.000 0.482 30 A N -0.971 121.623 122.820 -0.377 0.000 2.498 30 A HA 0.387 4.707 4.320 -0.000 0.000 0.238 30 A C -0.085 177.169 177.584 -0.550 0.000 1.225 30 A CA -0.192 51.531 52.037 -0.523 0.000 0.978 30 A CB 0.507 19.071 19.000 -0.726 0.000 1.142 30 A HN 0.102 nan 8.150 nan 0.000 0.552 31 F N 0.602 120.554 119.950 0.004 0.000 2.443 31 F HA 0.425 4.952 4.527 -0.000 0.000 0.335 31 F C 0.578 176.386 175.800 0.013 0.000 1.104 31 F CA -1.302 56.702 58.000 0.007 0.000 1.013 31 F CB 1.194 40.197 39.000 0.005 0.000 1.136 31 F HN -0.013 nan 8.300 nan 0.000 0.470 32 D N 0.280 120.800 120.400 0.201 0.000 2.289 32 D HA -0.069 4.571 4.640 -0.000 0.000 0.207 32 D C 0.293 176.676 176.300 0.138 0.000 0.966 32 D CA 1.089 55.165 54.000 0.125 0.000 0.868 32 D CB 0.468 41.316 40.800 0.080 0.000 0.943 32 D HN 0.519 nan 8.370 nan 0.000 0.514 33 Q N 0.478 120.375 119.800 0.162 0.000 2.268 33 Q HA 0.411 4.751 4.340 -0.000 0.000 0.266 33 Q C -2.058 174.022 176.000 0.135 0.000 1.006 33 Q CA -0.406 55.489 55.803 0.152 0.000 0.824 33 Q CB 2.598 31.412 28.738 0.126 0.000 1.306 33 Q HN -0.223 nan 8.270 nan 0.000 0.424 34 V N 3.079 123.064 119.914 0.119 0.000 2.447 34 V HA 0.479 4.599 4.120 -0.000 0.000 0.292 34 V C -0.769 175.355 176.094 0.049 0.000 1.021 34 V CA -0.432 61.870 62.300 0.004 0.000 0.850 34 V CB 1.925 33.669 31.823 -0.132 0.000 1.005 34 V HN 0.810 nan 8.190 nan 0.000 0.426 35 T N 6.310 120.854 114.554 -0.017 0.000 2.812 35 T HA 0.721 5.071 4.350 -0.000 0.000 0.282 35 T C -0.574 173.959 174.700 -0.277 0.000 0.990 35 T CA -0.394 61.632 62.100 -0.122 0.000 0.960 35 T CB 1.436 70.238 68.868 -0.110 0.000 0.948 35 T HN 0.255 nan 8.240 nan 0.000 0.438 36 L N 3.278 124.336 121.223 -0.275 0.000 2.309 36 L HA 0.620 4.960 4.340 -0.000 0.000 0.282 36 L C -0.699 175.949 176.870 -0.371 0.000 1.036 36 L CA -0.414 54.291 54.840 -0.226 0.000 0.806 36 L CB 0.686 42.676 42.059 -0.116 0.000 1.220 36 L HN 0.561 nan 8.230 nan 0.000 0.429 37 F N 1.428 121.277 119.950 -0.170 0.000 2.469 37 F HA 0.614 5.141 4.527 -0.000 0.000 0.332 37 F C 0.097 175.834 175.800 -0.106 0.000 1.103 37 F CA -0.564 57.339 58.000 -0.163 0.000 0.979 37 F CB 1.878 40.752 39.000 -0.211 0.000 1.137 37 F HN 0.379 nan 8.300 nan 0.000 0.463 38 E N 2.092 122.340 120.200 0.081 0.000 2.287 38 E HA 0.291 4.641 4.350 -0.000 0.000 0.274 38 E C 0.105 176.718 176.600 0.021 0.000 0.896 38 E CA -0.728 55.690 56.400 0.029 0.000 0.788 38 E CB 1.015 30.721 29.700 0.011 0.000 1.244 38 E HN 0.613 nan 8.360 nan 0.000 0.408 39 R N 3.105 123.567 120.500 -0.064 0.000 2.115 39 R HA 0.154 4.494 4.340 -0.000 0.000 0.230 39 R C 0.508 176.824 176.300 0.026 0.000 1.111 39 R CA 0.342 56.380 56.100 -0.104 0.000 0.976 39 R CB -0.161 29.811 30.300 -0.547 0.000 0.870 39 R HN 0.224 nan 8.270 nan 0.000 0.445 40 R N 0.559 121.058 120.500 -0.002 0.000 2.679 40 R HA 0.102 4.442 4.340 -0.000 0.000 0.269 40 R C 1.296 177.669 176.300 0.120 0.000 1.076 40 R CA 0.279 56.466 56.100 0.145 0.000 1.160 40 R CB 0.525 30.890 30.300 0.109 0.000 1.054 40 R HN 0.328 nan 8.270 nan 0.000 0.507 41 G N 0.032 108.910 108.800 0.130 0.000 2.679 41 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 41 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 41 G C 0.009 174.955 174.900 0.077 0.000 1.137 41 G CA 0.550 45.708 45.100 0.095 0.000 0.787 41 G HN 0.575 nan 8.290 nan 0.000 0.534 42 S N -0.655 115.095 115.700 0.083 0.000 2.579 42 S HA 0.724 5.194 4.470 -0.000 0.000 0.272 42 S C -3.178 171.472 174.600 0.083 0.000 1.141 42 S CA -1.372 56.875 58.200 0.078 0.000 0.843 42 S CB 3.008 66.262 63.200 0.090 0.000 1.122 42 S HN -0.035 nan 8.310 nan 0.000 0.468 43 P HA 0.569 nan 4.420 nan 0.000 0.279 43 P C 0.846 178.226 177.300 0.134 0.000 1.282 43 P CA 0.580 63.733 63.100 0.089 0.000 0.788 43 P CB 0.246 31.990 31.700 0.073 0.000 1.139 44 G N -2.597 106.299 108.800 0.160 0.000 2.211 44 G HA2 0.044 4.003 3.960 -0.000 0.000 0.201 44 G HA3 0.044 4.003 3.960 -0.000 0.000 0.201 44 G C 0.652 175.729 174.900 0.294 0.000 0.997 44 G CA 0.256 45.502 45.100 0.243 0.000 0.652 44 G HN 0.921 nan 8.290 nan 0.000 0.500 45 G N -0.615 108.293 108.800 0.180 0.000 2.582 45 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.288 45 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.288 45 G C 1.747 176.688 174.900 0.068 0.000 1.247 45 G CA 2.653 47.827 45.100 0.123 0.000 0.972 45 G HN 1.888 nan 8.290 nan 0.000 0.557 46 V N -3.197 116.679 119.914 -0.063 0.000 2.982 46 V HA -0.043 4.076 4.120 -0.000 0.000 0.265 46 V C 2.184 178.088 176.094 -0.318 0.000 1.122 46 V CA 2.452 64.614 62.300 -0.231 0.000 1.143 46 V CB -0.991 30.598 31.823 -0.390 0.000 0.726 46 V HN 0.646 nan 8.190 nan 0.000 0.507 47 W N 1.125 122.499 121.300 0.123 0.000 2.848 47 W HA 0.173 4.833 4.660 -0.000 0.000 0.241 47 W C 0.734 177.351 176.519 0.163 0.000 1.289 47 W CA -0.021 57.414 57.345 0.150 0.000 1.396 47 W CB -0.904 28.666 29.460 0.183 0.000 1.138 47 W HN 0.293 nan 8.180 nan 0.000 0.677 48 N N 0.801 119.632 118.700 0.218 0.000 2.602 48 N HA 0.009 4.749 4.740 -0.000 0.000 0.238 48 N C -0.690 174.916 175.510 0.160 0.000 1.084 48 N CA -0.533 52.638 53.050 0.202 0.000 0.952 48 N CB -0.144 38.432 38.487 0.148 0.000 1.244 48 N HN -0.021 nan 8.380 nan 0.000 0.512 49 Y N 2.707 123.077 120.300 0.117 0.000 2.721 49 Y HA 0.008 4.558 4.550 -0.000 0.000 0.329 49 Y C 0.327 176.273 175.900 0.077 0.000 1.211 49 Y CA -0.205 57.941 58.100 0.078 0.000 1.512 49 Y CB 0.258 38.785 38.460 0.112 0.000 1.249 49 Y HN 0.362 nan 8.280 nan 0.000 0.549 50 T N 1.738 115.887 114.554 -0.675 0.000 2.840 50 T HA 0.290 4.640 4.350 -0.000 0.000 0.287 50 T C 0.708 175.038 174.700 -0.618 0.000 0.991 50 T CA -0.277 61.553 62.100 -0.450 0.000 0.964 50 T CB 1.146 69.896 68.868 -0.196 0.000 0.954 50 T HN 0.665 nan 8.240 nan 0.000 0.438 51 S N 2.199 117.690 115.700 -0.349 0.000 2.474 51 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 51 S C 0.947 175.476 174.600 -0.119 0.000 0.997 51 S CA 0.060 58.158 58.200 -0.169 0.000 0.949 51 S CB -0.705 62.510 63.200 0.025 0.000 0.766 51 S HN 0.799 nan 8.310 nan 0.000 0.517 52 T N 3.378 117.861 114.554 -0.119 0.000 2.884 52 T HA 0.453 4.803 4.350 -0.000 0.000 0.298 52 T C 0.018 174.678 174.700 -0.066 0.000 0.998 52 T CA -0.263 61.794 62.100 -0.071 0.000 1.124 52 T CB 0.622 69.455 68.868 -0.058 0.000 0.931 52 T HN 0.220 nan 8.240 nan 0.000 0.531 53 L N 1.636 122.840 121.223 -0.031 0.000 2.358 53 L HA 0.431 4.771 4.340 -0.000 0.000 0.268 53 L C 0.794 177.667 176.870 0.005 0.000 1.032 53 L CA -1.102 53.737 54.840 -0.002 0.000 0.805 53 L CB 1.280 43.351 42.059 0.020 0.000 1.253 53 L HN 0.590 nan 8.230 nan 0.000 0.452 54 S N 0.682 116.400 115.700 0.029 0.000 2.560 54 S HA -0.055 4.415 4.470 -0.000 0.000 0.284 54 S C 0.897 175.504 174.600 0.011 0.000 1.327 54 S CA -0.306 57.909 58.200 0.026 0.000 1.055 54 S CB 0.657 63.888 63.200 0.050 0.000 0.868 54 S HN 0.682 nan 8.310 nan 0.000 0.506 55 N N 1.460 120.158 118.700 -0.004 0.000 2.188 55 N HA -0.099 4.640 4.740 -0.000 0.000 0.184 55 N C 0.025 175.532 175.510 -0.004 0.000 1.018 55 N CA 1.349 54.393 53.050 -0.009 0.000 0.858 55 N CB 0.104 38.579 38.487 -0.020 0.000 0.989 55 N HN 0.416 nan 8.380 nan 0.000 0.426 56 K N -0.151 120.248 120.400 -0.002 0.000 2.652 56 K HA 0.321 4.641 4.320 -0.000 0.000 0.249 56 K C -2.011 174.583 176.600 -0.009 0.000 0.986 56 K CA -0.567 55.716 56.287 -0.007 0.000 0.867 56 K CB 0.765 33.257 32.500 -0.013 0.000 1.201 56 K HN 0.094 nan 8.250 nan 0.000 0.450 57 L N 6.529 127.747 121.223 -0.008 0.000 2.315 57 L HA 0.515 4.855 4.340 -0.000 0.000 0.283 57 L C -2.111 174.724 176.870 -0.058 0.000 1.089 57 L CA -1.187 53.638 54.840 -0.025 0.000 0.833 57 L CB 0.402 42.460 42.059 -0.001 0.000 1.170 57 L HN 0.540 nan 8.230 nan 0.000 0.442 58 P HA 0.107 nan 4.420 nan 0.000 0.276 58 P C -1.261 175.953 177.300 -0.145 0.000 1.264 58 P CA -0.078 62.965 63.100 -0.095 0.000 0.769 58 P CB 1.045 32.695 31.700 -0.084 0.000 0.840 59 V N 6.660 126.492 119.914 -0.138 0.000 2.409 59 V HA 0.300 4.420 4.120 -0.000 0.000 0.290 59 V C -1.681 174.315 176.094 -0.164 0.000 1.017 59 V CA -1.620 60.566 62.300 -0.190 0.000 0.841 59 V CB 1.794 33.517 31.823 -0.167 0.000 1.003 59 V HN 0.566 nan 8.190 nan 0.000 0.426 60 P HA 0.335 nan 4.420 nan 0.000 0.277 60 P C -0.597 176.577 177.300 -0.209 0.000 1.271 60 P CA -0.449 62.499 63.100 -0.254 0.000 0.795 60 P CB 1.522 33.089 31.700 -0.222 0.000 1.101 61 S N -1.054 114.494 115.700 -0.253 0.000 2.774 61 S HA 0.437 4.907 4.470 -0.000 0.000 0.297 61 S C -0.050 174.499 174.600 -0.084 0.000 1.143 61 S CA -0.341 57.759 58.200 -0.166 0.000 1.090 61 S CB -0.118 62.959 63.200 -0.205 0.000 1.019 61 S HN 0.402 nan 8.310 nan 0.000 0.482 62 T N 2.885 117.440 114.554 0.002 0.000 3.087 62 T HA 0.269 4.619 4.350 -0.000 0.000 0.283 62 T C -0.009 174.746 174.700 0.093 0.000 0.956 62 T CA -0.345 61.822 62.100 0.112 0.000 0.894 62 T CB 0.008 68.930 68.868 0.091 0.000 1.160 62 T HN 0.527 nan 8.240 nan 0.000 0.532 63 N N 3.042 121.772 118.700 0.050 0.000 2.457 63 N HA 0.204 4.944 4.740 -0.000 0.000 0.250 63 N C -2.007 173.529 175.510 0.042 0.000 0.982 63 N CA -1.862 51.211 53.050 0.038 0.000 0.941 63 N CB 2.227 40.723 38.487 0.016 0.000 1.120 63 N HN 0.019 nan 8.380 nan 0.000 0.505 64 P HA -0.033 nan 4.420 nan 0.000 0.234 64 P C 1.201 178.517 177.300 0.025 0.000 1.167 64 P CA 0.559 63.691 63.100 0.053 0.000 0.763 64 P CB 0.612 32.347 31.700 0.057 0.000 0.835 65 I N -0.741 119.835 120.570 0.009 0.000 3.728 65 I HA 0.041 4.211 4.170 -0.000 0.000 0.307 65 I C 0.638 176.740 176.117 -0.025 0.000 1.276 65 I CA -0.545 60.744 61.300 -0.017 0.000 1.285 65 I CB 0.100 38.092 38.000 -0.014 0.000 1.038 65 I HN -0.172 nan 8.210 nan 0.000 0.445 66 L N 2.107 123.325 121.223 -0.008 0.000 2.706 66 L HA -0.058 4.282 4.340 -0.000 0.000 0.282 66 L C 0.206 177.069 176.870 -0.012 0.000 1.219 66 L CA 1.131 55.967 54.840 -0.007 0.000 0.935 66 L CB 0.009 42.068 42.059 0.001 0.000 1.204 66 L HN 0.051 nan 8.230 nan 0.000 0.491 67 T N 4.447 118.994 114.554 -0.012 0.000 2.870 67 T HA 0.140 4.489 4.350 -0.000 0.000 0.300 67 T C 0.338 175.053 174.700 0.024 0.000 0.989 67 T CA -0.193 61.902 62.100 -0.007 0.000 1.139 67 T CB 0.076 68.942 68.868 -0.003 0.000 0.920 67 T HN 0.740 nan 8.240 nan 0.000 0.537 68 T N 5.035 119.620 114.554 0.052 0.000 2.737 68 T HA 0.135 4.485 4.350 -0.000 0.000 0.296 68 T C 0.270 175.049 174.700 0.130 0.000 0.922 68 T CA -0.602 61.560 62.100 0.104 0.000 1.079 68 T CB 0.296 69.257 68.868 0.156 0.000 0.892 68 T HN 0.397 nan 8.240 nan 0.000 0.514 69 E N 5.517 125.755 120.200 0.063 0.000 2.130 69 E HA 0.253 4.603 4.350 -0.000 0.000 0.284 69 E C -1.986 174.568 176.600 -0.076 0.000 1.018 69 E CA -2.379 54.026 56.400 0.009 0.000 0.817 69 E CB 0.837 30.533 29.700 -0.007 0.000 1.078 69 E HN 0.441 nan 8.360 nan 0.000 0.396 70 P HA 0.277 nan 4.420 nan 0.000 0.277 70 P C -0.197 176.941 177.300 -0.270 0.000 1.240 70 P CA -0.685 62.111 63.100 -0.506 0.000 0.798 70 P CB 0.946 31.951 31.700 -1.158 0.000 0.979 71 I N 2.328 122.763 120.570 -0.225 0.000 2.379 71 I HA 0.050 4.219 4.170 -0.000 0.000 0.290 71 I C 0.778 176.822 176.117 -0.122 0.000 1.063 71 I CA -0.069 61.154 61.300 -0.128 0.000 1.351 71 I CB 0.304 38.250 38.000 -0.090 0.000 1.410 71 I HN 0.146 nan 8.210 nan 0.000 0.505 72 V N 3.613 123.474 119.914 -0.087 0.000 2.994 72 V HA 1.104 5.224 4.120 -0.000 0.000 0.318 72 V C 0.130 176.201 176.094 -0.038 0.000 1.085 72 V CA -0.494 61.768 62.300 -0.064 0.000 0.998 72 V CB 1.470 33.262 31.823 -0.053 0.000 1.063 72 V HN 0.834 nan 8.190 nan 0.000 0.447 73 G N 0.852 109.637 108.800 -0.025 0.000 2.646 73 G HA2 0.641 4.601 3.960 -0.000 0.000 0.291 73 G HA3 0.641 4.601 3.960 -0.000 0.000 0.291 73 G C -2.277 172.618 174.900 -0.007 0.000 1.445 73 G CA -0.235 44.856 45.100 -0.015 0.000 0.814 73 G HN 0.613 nan 8.290 nan 0.000 0.495 74 P HA 0.146 nan 4.420 nan 0.000 0.231 74 P C 0.952 178.254 177.300 0.004 0.000 1.168 74 P CA 1.051 64.151 63.100 0.001 0.000 0.779 74 P CB 0.673 32.374 31.700 0.001 0.000 0.844 75 A N -0.715 122.107 122.820 0.003 0.000 2.594 75 A HA 0.671 4.991 4.320 -0.000 0.000 0.287 75 A C 0.561 178.150 177.584 0.008 0.000 1.227 75 A CA 0.057 52.097 52.037 0.006 0.000 0.952 75 A CB 0.012 19.016 19.000 0.006 0.000 1.161 75 A HN 0.279 nan 8.150 nan 0.000 0.524 76 A N -0.689 122.135 122.820 0.007 0.000 2.589 76 A HA 0.591 4.911 4.320 -0.000 0.000 0.296 76 A C -0.994 176.596 177.584 0.009 0.000 1.062 76 A CA -0.573 51.469 52.037 0.009 0.000 0.686 76 A CB 0.441 19.444 19.000 0.004 0.000 1.282 76 A HN 0.792 nan 8.150 nan 0.000 0.404 77 L N 1.858 123.093 121.223 0.020 0.000 2.461 77 L HA 0.458 4.798 4.340 -0.000 0.000 0.272 77 L C -2.129 174.746 176.870 0.009 0.000 1.197 77 L CA -0.851 54.007 54.840 0.029 0.000 0.836 77 L CB 0.011 42.099 42.059 0.049 0.000 1.105 77 L HN 0.474 nan 8.230 nan 0.000 0.477 78 P HA 0.061 nan 4.420 nan 0.000 0.265 78 P C -1.279 175.954 177.300 -0.113 0.000 1.193 78 P CA 0.013 63.059 63.100 -0.089 0.000 0.765 78 P CB 0.574 32.210 31.700 -0.107 0.000 0.823 79 V N 5.184 124.992 119.914 -0.176 0.000 2.398 79 V HA 0.225 4.345 4.120 -0.000 0.000 0.286 79 V C -0.501 175.443 176.094 -0.250 0.000 1.026 79 V CA -0.402 61.829 62.300 -0.116 0.000 0.868 79 V CB 0.615 32.404 31.823 -0.057 0.000 0.982 79 V HN 0.395 nan 8.190 nan 0.000 0.443 80 Y N 6.734 127.042 120.300 0.013 0.000 2.504 80 Y HA 0.360 4.910 4.550 -0.000 0.000 0.339 80 Y C -1.707 174.192 175.900 -0.002 0.000 0.974 80 Y CA -2.671 55.436 58.100 0.011 0.000 1.232 80 Y CB 0.908 39.380 38.460 0.020 0.000 1.108 80 Y HN 0.484 nan 8.280 nan 0.000 0.509 81 P HA -0.055 nan 4.420 nan 0.000 0.266 81 P C -0.180 177.143 177.300 0.038 0.000 1.193 81 P CA 0.138 63.252 63.100 0.024 0.000 0.770 81 P CB 1.415 33.120 31.700 0.007 0.000 0.836 82 S N 2.331 118.018 115.700 -0.023 0.000 2.549 82 S HA 0.466 4.935 4.470 -0.000 0.000 0.297 82 S C -1.630 172.949 174.600 -0.034 0.000 1.115 82 S CA -1.980 56.197 58.200 -0.038 0.000 1.059 82 S CB 1.013 64.169 63.200 -0.073 0.000 1.046 82 S HN 0.306 nan 8.310 nan 0.000 0.506 83 P HA 0.111 nan 4.420 nan 0.000 0.241 83 P C 0.069 177.399 177.300 0.049 0.000 1.191 83 P CA 0.154 63.297 63.100 0.071 0.000 0.771 83 P CB -0.021 31.744 31.700 0.108 0.000 0.929 84 L N 0.959 122.139 121.223 -0.071 0.000 2.453 84 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 84 L C 0.900 177.838 176.870 0.113 0.000 1.182 84 L CA -0.580 54.192 54.840 -0.113 0.000 0.858 84 L CB -0.295 41.668 42.059 -0.160 0.000 1.120 84 L HN 0.035 nan 8.230 nan 0.000 0.474 85 Y N 0.217 120.622 120.300 0.175 0.000 2.488 85 Y HA 0.441 4.991 4.550 -0.000 0.000 0.325 85 Y C 1.212 177.166 175.900 0.091 0.000 1.204 85 Y CA -1.337 56.856 58.100 0.155 0.000 1.229 85 Y CB 0.432 38.908 38.460 0.027 0.000 1.274 85 Y HN 0.404 nan 8.280 nan 0.000 0.493 86 R N 0.188 120.807 120.500 0.198 0.000 2.097 86 R HA -0.186 4.154 4.340 -0.000 0.000 0.236 86 R C 0.314 176.570 176.300 -0.074 0.000 1.135 86 R CA 2.424 58.457 56.100 -0.111 0.000 0.934 86 R CB -0.372 29.909 30.300 -0.033 0.000 0.846 86 R HN 0.927 nan 8.270 nan 0.000 0.431 87 D N 0.700 121.148 120.400 0.079 0.000 2.328 87 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 87 D C 0.323 176.615 176.300 -0.014 0.000 1.066 87 D CA -0.018 54.031 54.000 0.083 0.000 0.861 87 D CB -0.199 40.625 40.800 0.040 0.000 0.912 87 D HN 0.225 nan 8.370 nan 0.000 0.521 88 L N 1.168 122.283 121.223 -0.180 0.000 2.615 88 L HA -0.097 4.243 4.340 -0.000 0.000 0.284 88 L C -0.052 176.617 176.870 -0.334 0.000 1.237 88 L CA 0.731 55.343 54.840 -0.380 0.000 0.905 88 L CB 0.302 41.839 42.059 -0.870 0.000 1.149 88 L HN -0.085 nan 8.230 nan 0.000 0.499 89 Q N 2.820 122.575 119.800 -0.074 0.000 2.397 89 Q HA 0.332 4.672 4.340 -0.000 0.000 0.275 89 Q C -0.507 175.567 176.000 0.124 0.000 1.090 89 Q CA -0.752 55.094 55.803 0.073 0.000 0.809 89 Q CB 2.152 31.076 28.738 0.310 0.000 1.362 89 Q HN 0.767 nan 8.270 nan 0.000 0.431 90 T N -1.519 113.134 114.554 0.164 0.000 2.855 90 T HA 0.057 4.407 4.350 -0.000 0.000 0.314 90 T C 0.644 175.504 174.700 0.267 0.000 1.077 90 T CA -0.087 62.109 62.100 0.159 0.000 1.095 90 T CB 0.243 69.117 68.868 0.010 0.000 0.987 90 T HN 0.854 nan 8.240 nan 0.000 0.546 91 N N -0.361 118.432 118.700 0.154 0.000 2.203 91 N HA 0.109 4.849 4.740 -0.000 0.000 0.207 91 N C -0.221 175.305 175.510 0.026 0.000 1.130 91 N CA -0.700 52.378 53.050 0.047 0.000 0.861 91 N CB 0.450 38.923 38.487 -0.023 0.000 1.005 91 N HN 0.758 nan 8.380 nan 0.000 0.507 92 T N -0.577 114.018 114.554 0.069 0.000 2.829 92 T HA 0.457 4.807 4.350 -0.000 0.000 0.280 92 T C -3.093 171.314 174.700 -0.487 0.000 0.999 92 T CA -2.047 59.959 62.100 -0.157 0.000 0.983 92 T CB 2.560 71.293 68.868 -0.224 0.000 0.968 92 T HN -0.102 nan 8.240 nan 0.000 0.446 93 P HA 0.292 nan 4.420 nan 0.000 0.282 93 P C 1.399 178.197 177.300 -0.837 0.000 1.249 93 P CA -0.908 61.423 63.100 -1.282 0.000 0.806 93 P CB 1.028 32.075 31.700 -1.088 0.000 0.984 94 I N -0.965 119.071 120.570 -0.891 0.000 2.850 94 I HA -0.198 3.972 4.170 -0.000 0.000 0.266 94 I C 1.136 177.018 176.117 -0.391 0.000 1.257 94 I CA 1.322 62.148 61.300 -0.790 0.000 1.465 94 I CB -0.885 36.546 38.000 -0.948 0.000 1.091 94 I HN 0.159 nan 8.210 nan 0.000 0.467 95 E N 0.904 120.864 120.200 -0.400 0.000 2.274 95 E HA 0.071 4.421 4.350 -0.000 0.000 0.194 95 E C 0.337 176.797 176.600 -0.234 0.000 0.996 95 E CA 0.720 56.957 56.400 -0.272 0.000 0.840 95 E CB 0.066 29.583 29.700 -0.305 0.000 0.772 95 E HN 0.337 nan 8.360 nan 0.000 0.491 99 Y N 0.290 120.724 120.300 0.224 0.000 2.480 99 Y HA 0.209 4.759 4.550 -0.000 0.000 0.338 99 Y C 2.388 178.347 175.900 0.099 0.000 1.220 99 Y CA 0.207 58.376 58.100 0.115 0.000 1.430 99 Y CB 0.707 39.158 38.460 -0.015 0.000 1.311 99 Y HN 0.801 nan 8.280 nan 0.000 0.575 100 C N -1.456 117.981 119.300 0.229 0.000 2.449 100 C HA -0.097 4.363 4.460 -0.000 0.000 0.283 100 C C 0.990 176.040 174.990 0.100 0.000 1.453 100 C CA 0.585 59.690 59.018 0.144 0.000 1.779 100 C CB -1.309 26.501 27.740 0.116 0.000 1.779 100 C HN 0.895 nan 8.230 nan 0.000 0.546 101 D N -0.285 120.178 120.400 0.104 0.000 2.501 101 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 101 D C 0.264 176.620 176.300 0.094 0.000 1.198 101 D CA 0.279 54.316 54.000 0.062 0.000 0.830 101 D CB -0.571 40.219 40.800 -0.018 0.000 1.014 101 D HN 0.744 nan 8.370 nan 0.000 0.496 102 Q N 1.134 121.014 119.800 0.133 0.000 2.483 102 Q HA 0.318 4.657 4.340 -0.000 0.000 0.245 102 Q C -1.178 174.873 176.000 0.084 0.000 0.902 102 Q CA -0.353 55.496 55.803 0.076 0.000 0.767 102 Q CB 1.314 30.060 28.738 0.013 0.000 1.341 102 Q HN 0.138 nan 8.270 nan 0.000 0.453 103 S N 2.053 117.780 115.700 0.046 0.000 2.669 103 S HA 0.590 5.060 4.470 -0.000 0.000 0.270 103 S C -0.133 174.475 174.600 0.012 0.000 1.225 103 S CA -0.580 57.649 58.200 0.049 0.000 0.991 103 S CB 0.631 63.879 63.200 0.079 0.000 0.987 103 S HN 0.398 nan 8.310 nan 0.000 0.552 104 F N 1.217 121.244 119.950 0.127 0.000 2.389 104 F HA 0.376 4.903 4.527 -0.000 0.000 0.337 104 F C 1.218 177.057 175.800 0.064 0.000 1.112 104 F CA -0.643 57.422 58.000 0.108 0.000 1.192 104 F CB 0.780 39.766 39.000 -0.022 0.000 1.185 104 F HN 0.463 nan 8.300 nan 0.000 0.552 105 K N 3.442 123.983 120.400 0.235 0.000 2.336 105 K HA 0.103 4.423 4.320 -0.000 0.000 0.262 105 K C -2.257 174.413 176.600 0.116 0.000 0.992 105 K CA -1.285 55.085 56.287 0.137 0.000 0.927 105 K CB -0.209 32.361 32.500 0.115 0.000 0.956 105 K HN 0.309 nan 8.250 nan 0.000 0.495 106 P HA -0.017 nan 4.420 nan 0.000 0.272 106 P C -0.669 176.656 177.300 0.042 0.000 1.223 106 P CA 0.119 63.248 63.100 0.049 0.000 0.784 106 P CB 1.003 32.724 31.700 0.036 0.000 0.923 107 Q N -1.979 117.836 119.800 0.024 0.000 2.466 107 Q HA -0.101 4.239 4.340 -0.000 0.000 0.248 107 Q C -0.451 175.560 176.000 0.017 0.000 0.791 107 Q CA 1.159 56.973 55.803 0.019 0.000 1.225 107 Q CB -2.872 25.881 28.738 0.026 0.000 1.418 107 Q HN 0.567 nan 8.270 nan 0.000 0.662 108 T N 0.794 115.351 114.554 0.005 0.000 2.851 108 T HA 0.456 4.806 4.350 -0.000 0.000 0.298 108 T C 0.833 175.481 174.700 -0.088 0.000 0.977 108 T CA -0.570 61.514 62.100 -0.027 0.000 1.126 108 T CB 0.473 69.315 68.868 -0.043 0.000 0.916 108 T HN 0.203 nan 8.240 nan 0.000 0.529 109 L N 3.095 124.282 121.223 -0.060 0.000 2.506 109 L HA 0.046 4.385 4.340 -0.000 0.000 0.281 109 L C 2.230 178.919 176.870 -0.300 0.000 1.228 109 L CA -0.060 54.755 54.840 -0.041 0.000 0.850 109 L CB 0.280 42.398 42.059 0.099 0.000 1.110 109 L HN 0.785 nan 8.230 nan 0.000 0.496 110 Q N 2.177 121.712 119.800 -0.442 0.000 2.124 110 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 110 Q C -0.038 175.262 176.000 -1.167 0.000 0.977 110 Q CA 1.546 56.867 55.803 -0.803 0.000 0.850 110 Q CB 0.179 28.445 28.738 -0.787 0.000 0.901 110 Q HN 0.555 nan 8.270 nan 0.000 0.429 111 F N 1.929 121.261 119.950 -1.031 0.000 2.449 111 F HA 0.408 4.935 4.527 -0.000 0.000 0.344 111 F C -2.114 173.520 175.800 -0.276 0.000 1.180 111 F CA -2.612 55.000 58.000 -0.646 0.000 1.209 111 F CB 1.215 39.802 39.000 -0.687 0.000 1.440 111 F HN 0.058 nan 8.300 nan 0.000 0.526 112 P HA -0.087 nan 4.420 nan 0.000 0.271 112 P C -0.082 177.282 177.300 0.107 0.000 1.233 112 P CA 0.081 63.169 63.100 -0.019 0.000 0.789 112 P CB 0.904 32.511 31.700 -0.155 0.000 0.951 113 H N 2.003 121.114 119.070 0.068 0.000 2.607 113 H HA 0.057 4.613 4.556 -0.000 0.000 0.367 113 H C 1.726 177.074 175.328 0.035 0.000 1.181 113 H CA 0.048 56.124 56.048 0.046 0.000 1.402 113 H CB 0.970 30.736 29.762 0.007 0.000 1.474 113 H HN 0.435 nan 8.280 nan 0.000 0.596 114 R N 2.123 122.421 120.500 -0.337 0.000 2.105 114 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 114 R C 1.638 178.099 176.300 0.268 0.000 1.135 114 R CA 1.835 57.973 56.100 0.063 0.000 0.967 114 R CB -0.977 29.352 30.300 0.050 0.000 0.861 114 R HN 0.734 nan 8.270 nan 0.000 0.442 115 H N 0.546 119.874 119.070 0.430 0.000 2.325 115 H HA -0.144 4.411 4.556 -0.000 0.000 0.293 115 H C 1.948 177.402 175.328 0.209 0.000 1.106 115 H CA 1.954 58.182 56.048 0.299 0.000 1.247 115 H CB -0.141 29.761 29.762 0.232 0.000 1.359 115 H HN 0.332 nan 8.280 nan 0.000 0.488 116 T N 0.987 115.732 114.554 0.318 0.000 2.746 116 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 116 T C 1.953 176.772 174.700 0.199 0.000 1.039 116 T CA 1.208 63.442 62.100 0.222 0.000 1.142 116 T CB -0.040 68.918 68.868 0.149 0.000 0.866 116 T HN 0.206 nan 8.240 nan 0.000 0.444 117 I N 1.467 122.074 120.570 0.062 0.000 2.353 117 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 117 I C 2.481 178.602 176.117 0.007 0.000 1.119 117 I CA 1.157 62.376 61.300 -0.136 0.000 1.417 117 I CB -1.431 36.073 38.000 -0.827 0.000 1.078 117 I HN 0.344 nan 8.210 nan 0.000 0.421 118 Q N 0.465 120.371 119.800 0.178 0.000 2.096 118 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 118 Q C 2.169 178.307 176.000 0.231 0.000 0.982 118 Q CA 1.935 57.914 55.803 0.293 0.000 0.850 118 Q CB -0.131 28.830 28.738 0.371 0.000 0.901 118 Q HN 0.397 nan 8.270 nan 0.000 0.422 119 E N 0.139 120.469 120.200 0.218 0.000 2.077 119 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 119 E C 1.609 178.313 176.600 0.174 0.000 0.989 119 E CA 1.142 57.648 56.400 0.176 0.000 0.800 119 E CB -0.351 29.448 29.700 0.165 0.000 0.746 119 E HN 0.442 nan 8.360 nan 0.000 0.452 120 Y N 0.742 121.081 120.300 0.066 0.000 2.128 120 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 120 Y C 2.175 178.105 175.900 0.049 0.000 1.154 120 Y CA 2.200 60.310 58.100 0.018 0.000 1.149 120 Y CB -0.013 38.431 38.460 -0.027 0.000 0.976 120 Y HN 0.091 nan 8.280 nan 0.000 0.505 121 Q N 0.149 120.084 119.800 0.225 0.000 2.119 121 Q HA -0.191 4.149 4.340 -0.000 0.000 0.201 121 Q C 2.414 178.502 176.000 0.146 0.000 0.972 121 Q CA 1.527 57.434 55.803 0.173 0.000 0.847 121 Q CB -0.437 28.404 28.738 0.171 0.000 0.903 121 Q HN 0.532 nan 8.270 nan 0.000 0.433 122 R N 0.349 120.926 120.500 0.130 0.000 2.083 122 R HA -0.134 4.205 4.340 -0.000 0.000 0.237 122 R C 2.131 178.462 176.300 0.052 0.000 1.137 122 R CA 1.160 57.318 56.100 0.097 0.000 0.951 122 R CB -0.082 30.276 30.300 0.098 0.000 0.851 122 R HN 0.139 nan 8.270 nan 0.000 0.434 123 I N 0.183 120.766 120.570 0.022 0.000 2.226 123 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 123 I C 2.174 178.269 176.117 -0.037 0.000 1.100 123 I CA 1.275 62.559 61.300 -0.026 0.000 1.374 123 I CB -1.247 36.709 38.000 -0.073 0.000 1.057 123 I HN 0.256 nan 8.210 nan 0.000 0.413 124 Y N 1.829 122.020 120.300 -0.182 0.000 2.200 124 Y HA -0.105 4.445 4.550 -0.000 0.000 0.290 124 Y C 2.520 178.358 175.900 -0.103 0.000 1.137 124 Y CA 1.704 59.698 58.100 -0.176 0.000 1.163 124 Y CB -0.134 38.225 38.460 -0.168 0.000 0.988 124 Y HN 0.104 nan 8.280 nan 0.000 0.518 125 A N -0.435 122.392 122.820 0.012 0.000 2.123 125 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 125 A C 2.107 179.660 177.584 -0.053 0.000 1.152 125 A CA 0.946 52.961 52.037 -0.037 0.000 0.728 125 A CB -0.667 18.369 19.000 0.059 0.000 0.814 125 A HN 0.626 nan 8.150 nan 0.000 0.464 126 Q N 0.358 120.133 119.800 -0.042 0.000 2.062 126 Q HA -0.166 4.174 4.340 -0.000 0.000 0.209 126 Q C -0.753 175.228 176.000 -0.032 0.000 0.996 126 Q CA 2.383 58.169 55.803 -0.028 0.000 0.859 126 Q CB -0.688 28.036 28.738 -0.024 0.000 0.920 126 Q HN 0.545 nan 8.270 nan 0.000 0.415 127 P HA -0.112 nan 4.420 nan 0.000 0.234 127 P C 0.538 177.872 177.300 0.056 0.000 1.167 127 P CA 1.028 64.116 63.100 -0.020 0.000 0.763 127 P CB 0.055 31.720 31.700 -0.059 0.000 0.835 128 L N -1.339 119.900 121.223 0.027 0.000 2.616 128 L HA 0.139 4.479 4.340 -0.000 0.000 0.229 128 L C 2.420 179.374 176.870 0.139 0.000 1.110 128 L CA -0.062 54.859 54.840 0.135 0.000 0.884 128 L CB -0.384 41.659 42.059 -0.028 0.000 1.115 128 L HN -0.135 nan 8.230 nan 0.000 0.481 129 L N 1.167 122.416 121.223 0.043 0.000 2.043 129 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 129 L C -0.200 176.641 176.870 -0.048 0.000 1.075 129 L CA 1.520 56.360 54.840 -0.001 0.000 0.752 129 L CB -1.620 40.430 42.059 -0.015 0.000 0.891 129 L HN 0.292 nan 8.230 nan 0.000 0.432 130 P HA -0.115 nan 4.420 nan 0.000 0.237 130 P C 0.954 178.008 177.300 -0.409 0.000 1.178 130 P CA 1.142 64.071 63.100 -0.285 0.000 0.766 130 P CB 0.047 31.516 31.700 -0.387 0.000 0.876 131 F N -0.510 119.383 119.950 -0.095 0.000 2.695 131 F HA 0.297 4.823 4.527 -0.000 0.000 0.303 131 F C 1.312 177.014 175.800 -0.163 0.000 1.091 131 F CA -0.123 57.807 58.000 -0.116 0.000 1.300 131 F CB 0.110 39.045 39.000 -0.107 0.000 1.071 131 F HN -0.255 nan 8.300 nan 0.000 0.578 132 I N 0.643 121.203 120.570 -0.018 0.000 2.412 132 I HA 0.235 4.405 4.170 -0.000 0.000 0.296 132 I C -0.247 175.778 176.117 -0.153 0.000 0.987 132 I CA -0.824 60.419 61.300 -0.096 0.000 1.180 132 I CB 1.585 39.558 38.000 -0.044 0.000 1.340 132 I HN -0.178 nan 8.210 nan 0.000 0.455 133 K N 7.058 127.302 120.400 -0.260 0.000 2.266 133 K HA 0.475 4.795 4.320 -0.000 0.000 0.274 133 K C -0.714 175.825 176.600 -0.100 0.000 1.090 133 K CA -0.386 55.764 56.287 -0.229 0.000 0.925 133 K CB 0.769 33.000 32.500 -0.450 0.000 1.225 133 K HN 0.444 nan 8.250 nan 0.000 0.458 134 L N 1.308 122.509 121.223 -0.037 0.000 2.466 134 L HA 0.217 4.557 4.340 -0.000 0.000 0.257 134 L C 0.999 177.902 176.870 0.055 0.000 1.189 134 L CA -0.123 54.725 54.840 0.014 0.000 0.813 134 L CB 0.527 42.598 42.059 0.019 0.000 1.118 134 L HN 0.794 nan 8.230 nan 0.000 0.471 135 A N 0.966 123.836 122.820 0.082 0.000 2.665 135 A HA -0.175 4.145 4.320 -0.000 0.000 0.301 135 A C 0.308 177.977 177.584 0.142 0.000 1.509 135 A CA 1.091 53.202 52.037 0.123 0.000 0.789 135 A CB -2.213 16.853 19.000 0.111 0.000 1.024 135 A HN 0.675 nan 8.150 nan 0.000 0.460 136 T N 0.303 114.942 114.554 0.142 0.000 2.847 136 T HA 0.484 4.834 4.350 -0.000 0.000 0.291 136 T C -0.841 173.976 174.700 0.194 0.000 0.998 136 T CA -0.250 61.974 62.100 0.207 0.000 0.967 136 T CB 1.454 70.462 68.868 0.234 0.000 0.954 136 T HN 0.457 nan 8.240 nan 0.000 0.441 137 D N 2.590 123.108 120.400 0.197 0.000 2.232 137 D HA 0.360 5.000 4.640 -0.000 0.000 0.242 137 D C -0.321 176.075 176.300 0.159 0.000 1.093 137 D CA -0.445 53.636 54.000 0.136 0.000 0.845 137 D CB 1.187 42.071 40.800 0.140 0.000 1.124 137 D HN 0.172 nan 8.370 nan 0.000 0.467 138 V N 6.148 126.127 119.914 0.109 0.000 2.455 138 V HA 0.098 4.218 4.120 -0.000 0.000 0.273 138 V C 1.462 177.685 176.094 0.215 0.000 1.045 138 V CA -0.132 62.217 62.300 0.082 0.000 0.976 138 V CB 1.091 32.870 31.823 -0.072 0.000 0.993 138 V HN 0.609 nan 8.190 nan 0.000 0.475 139 L N 2.694 124.020 121.223 0.171 0.000 2.168 139 L HA 0.279 4.618 4.340 -0.000 0.000 0.203 139 L C 0.678 177.698 176.870 0.250 0.000 1.078 139 L CA 0.920 55.854 54.840 0.156 0.000 0.780 139 L CB 0.103 42.218 42.059 0.092 0.000 0.939 139 L HN 0.665 nan 8.230 nan 0.000 0.451 140 D N -1.650 118.899 120.400 0.248 0.000 2.639 140 D HA 0.543 5.183 4.640 -0.000 0.000 0.271 140 D C -1.428 174.916 176.300 0.074 0.000 1.254 140 D CA -0.418 53.742 54.000 0.267 0.000 0.810 140 D CB 2.074 42.971 40.800 0.160 0.000 1.351 140 D HN -0.107 nan 8.370 nan 0.000 0.427 141 I N 1.370 121.969 120.570 0.048 0.000 2.571 141 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 141 I C -1.210 175.026 176.117 0.198 0.000 1.134 141 I CA -0.573 60.714 61.300 -0.023 0.000 1.052 141 I CB 1.954 39.718 38.000 -0.394 0.000 1.237 141 I HN 0.365 nan 8.210 nan 0.000 0.435 142 E N 5.360 125.744 120.200 0.305 0.000 2.343 142 E HA 0.439 4.789 4.350 -0.000 0.000 0.278 142 E C -1.422 175.238 176.600 0.101 0.000 0.910 142 E CA -1.218 55.352 56.400 0.283 0.000 0.757 142 E CB 2.143 31.924 29.700 0.134 0.000 1.218 142 E HN 0.104 nan 8.360 nan 0.000 0.435 143 K N 2.210 122.417 120.400 -0.321 0.000 2.363 143 K HA 0.224 4.543 4.320 -0.000 0.000 0.289 143 K C -1.076 175.334 176.600 -0.317 0.000 1.063 143 K CA -0.202 55.638 56.287 -0.744 0.000 0.967 143 K CB 0.703 32.593 32.500 -1.018 0.000 0.987 143 K HN 0.404 nan 8.250 nan 0.000 0.473 144 K N 3.504 123.764 120.400 -0.234 0.000 2.376 144 K HA 0.229 4.549 4.320 -0.000 0.000 0.257 144 K C -0.597 175.925 176.600 -0.130 0.000 0.939 144 K CA -0.246 55.965 56.287 -0.128 0.000 0.809 144 K CB 0.813 33.277 32.500 -0.061 0.000 1.121 144 K HN 0.566 nan 8.250 nan 0.000 0.425 145 D N 1.575 121.912 120.400 -0.106 0.000 3.639 145 D HA -0.233 4.407 4.640 -0.000 0.000 0.162 145 D C 0.698 176.924 176.300 -0.123 0.000 1.054 145 D CA 2.025 55.971 54.000 -0.090 0.000 1.085 145 D CB -0.951 39.808 40.800 -0.068 0.000 0.547 145 D HN 0.682 nan 8.370 nan 0.000 0.595 146 G N -0.619 108.115 108.800 -0.109 0.000 3.337 146 G HA2 0.442 4.402 3.960 -0.000 0.000 0.246 146 G HA3 0.442 4.402 3.960 -0.000 0.000 0.246 146 G C -0.013 174.795 174.900 -0.154 0.000 1.131 146 G CA 0.818 45.844 45.100 -0.123 0.000 0.773 146 G HN 0.287 nan 8.290 nan 0.000 0.544 147 S N -1.339 114.257 115.700 -0.172 0.000 2.704 147 S HA 0.595 5.065 4.470 -0.000 0.000 0.296 147 S C -1.624 172.849 174.600 -0.212 0.000 1.138 147 S CA -0.743 57.372 58.200 -0.142 0.000 0.875 147 S CB 1.247 64.429 63.200 -0.030 0.000 1.151 147 S HN 0.302 nan 8.310 nan 0.000 0.500 148 W N 1.475 122.788 121.300 0.023 0.000 2.335 148 W HA 0.556 5.215 4.660 -0.000 0.000 0.307 148 W C -0.819 175.744 176.519 0.073 0.000 1.117 148 W CA -0.515 56.848 57.345 0.029 0.000 1.228 148 W CB 0.794 30.255 29.460 0.002 0.000 1.240 148 W HN 0.219 nan 8.180 nan 0.000 0.468 149 V N 5.692 125.761 119.914 0.259 0.000 2.364 149 V HA 0.252 4.371 4.120 -0.000 0.000 0.272 149 V C -0.254 175.956 176.094 0.193 0.000 1.036 149 V CA -0.990 61.423 62.300 0.189 0.000 0.880 149 V CB 0.989 32.870 31.823 0.097 0.000 0.991 149 V HN 0.330 nan 8.190 nan 0.000 0.460 150 V N 4.936 124.975 119.914 0.209 0.000 2.357 150 V HA 0.557 4.677 4.120 -0.000 0.000 0.284 150 V C 0.162 176.333 176.094 0.127 0.000 1.018 150 V CA 0.174 62.519 62.300 0.076 0.000 0.841 150 V CB 1.689 33.459 31.823 -0.088 0.000 0.991 150 V HN 0.903 nan 8.190 nan 0.000 0.437 151 T N 8.657 123.250 114.554 0.065 0.000 2.771 151 T HA 0.650 5.000 4.350 -0.000 0.000 0.291 151 T C -0.768 173.978 174.700 0.076 0.000 0.954 151 T CA 0.146 62.267 62.100 0.036 0.000 1.045 151 T CB 0.571 69.452 68.868 0.021 0.000 0.917 151 T HN 0.920 nan 8.240 nan 0.000 0.484 152 Y N 0.111 120.393 120.300 -0.030 0.000 2.615 152 Y HA 0.814 5.364 4.550 -0.000 0.000 0.341 152 Y C -0.846 175.089 175.900 0.058 0.000 1.089 152 Y CA -1.530 56.561 58.100 -0.014 0.000 1.049 152 Y CB 1.751 40.166 38.460 -0.076 0.000 1.296 152 Y HN 0.474 nan 8.280 nan 0.000 0.470 153 K N 0.990 121.527 120.400 0.228 0.000 2.464 153 K HA 0.621 4.940 4.320 -0.000 0.000 0.253 153 K C -0.458 176.285 176.600 0.238 0.000 0.933 153 K CA -0.895 55.480 56.287 0.148 0.000 0.801 153 K CB 2.121 34.673 32.500 0.087 0.000 1.271 153 K HN 1.153 nan 8.250 nan 0.000 0.430 154 G N 1.465 110.388 108.800 0.204 0.000 2.398 154 G HA2 0.081 4.041 3.960 -0.000 0.000 0.246 154 G HA3 0.081 4.041 3.960 -0.000 0.000 0.246 154 G C -0.359 174.634 174.900 0.154 0.000 1.289 154 G CA -0.055 45.160 45.100 0.192 0.000 0.869 154 G HN 0.494 nan 8.290 nan 0.000 0.543 155 T N 1.795 116.447 114.554 0.164 0.000 2.814 155 T HA 0.441 4.791 4.350 -0.000 0.000 0.297 155 T C 0.056 174.825 174.700 0.115 0.000 0.956 155 T CA 0.459 62.656 62.100 0.162 0.000 1.123 155 T CB 0.111 69.112 68.868 0.222 0.000 0.902 155 T HN 0.755 nan 8.240 nan 0.000 0.528 156 K N 2.354 122.806 120.400 0.086 0.000 4.157 156 K HA 0.137 4.457 4.320 -0.000 0.000 0.802 156 K C -0.670 175.960 176.600 0.050 0.000 1.043 156 K CA -0.360 55.963 56.287 0.061 0.000 0.916 156 K CB -0.677 31.861 32.500 0.063 0.000 2.113 156 K HN 0.759 nan 8.250 nan 0.000 0.336 157 A N 2.675 125.516 122.820 0.035 0.000 2.598 157 A HA 0.388 4.707 4.320 -0.000 0.000 0.239 157 A C 1.503 179.104 177.584 0.029 0.000 1.032 157 A CA 1.863 53.916 52.037 0.028 0.000 0.760 157 A CB -0.645 18.366 19.000 0.018 0.000 0.946 157 A HN 2.015 nan 8.150 nan 0.000 0.512 158 G N 1.799 110.615 108.800 0.027 0.000 2.179 158 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 158 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 158 G C 0.549 175.467 174.900 0.029 0.000 0.977 158 G CA 0.473 45.587 45.100 0.025 0.000 0.641 158 G HN 1.340 nan 8.290 nan 0.000 0.533 159 S N 2.874 118.598 115.700 0.040 0.000 2.549 159 S HA 0.456 4.926 4.470 -0.000 0.000 0.286 159 S C -1.343 173.276 174.600 0.032 0.000 1.314 159 S CA -0.042 58.186 58.200 0.047 0.000 1.062 159 S CB 1.353 64.597 63.200 0.073 0.000 0.865 159 S HN 0.514 nan 8.310 nan 0.000 0.498 160 P HA 0.345 nan 4.420 nan 0.000 0.284 160 P C -0.748 176.531 177.300 -0.035 0.000 1.253 160 P CA -0.655 62.443 63.100 -0.004 0.000 0.800 160 P CB 0.503 32.200 31.700 -0.006 0.000 0.961 161 I N 1.651 122.190 120.570 -0.051 0.000 2.618 161 I HA 0.123 4.293 4.170 -0.000 0.000 0.284 161 I C 1.225 177.230 176.117 -0.186 0.000 1.146 161 I CA 0.997 62.236 61.300 -0.101 0.000 1.425 161 I CB 0.022 37.984 38.000 -0.063 0.000 1.383 161 I HN 0.329 nan 8.210 nan 0.000 0.562 162 S N 6.056 121.519 115.700 -0.394 0.000 2.599 162 S HA 0.763 5.233 4.470 -0.000 0.000 0.294 162 S C -0.900 173.350 174.600 -0.584 0.000 1.094 162 S CA -0.826 57.059 58.200 -0.524 0.000 0.931 162 S CB 1.109 63.886 63.200 -0.705 0.000 1.093 162 S HN 0.516 nan 8.310 nan 0.000 0.488 163 K N 1.849 122.090 120.400 -0.265 0.000 2.468 163 K HA 0.580 4.900 4.320 -0.000 0.000 0.252 163 K C -1.874 174.801 176.600 0.124 0.000 0.932 163 K CA -0.896 55.366 56.287 -0.041 0.000 0.794 163 K CB 1.761 34.251 32.500 -0.016 0.000 1.241 163 K HN 0.546 nan 8.250 nan 0.000 0.428 164 D N 2.285 122.849 120.400 0.273 0.000 2.756 164 D HA 0.311 4.951 4.640 -0.000 0.000 0.226 164 D C -0.730 175.629 176.300 0.098 0.000 1.186 164 D CA -0.537 53.573 54.000 0.183 0.000 0.845 164 D CB 2.102 43.094 40.800 0.320 0.000 1.610 164 D HN 0.389 nan 8.370 nan 0.000 0.465 165 I N -1.010 119.471 120.570 -0.148 0.000 2.460 165 I HA 0.668 4.838 4.170 -0.000 0.000 0.298 165 I C -1.226 174.664 176.117 -0.378 0.000 0.989 165 I CA -0.371 60.879 61.300 -0.084 0.000 1.173 165 I CB 0.679 38.649 38.000 -0.049 0.000 1.338 165 I HN 0.201 nan 8.210 nan 0.000 0.456 166 F N 2.582 122.582 119.950 0.083 0.000 2.620 166 F HA 0.440 4.967 4.527 -0.000 0.000 0.320 166 F C 1.069 176.905 175.800 0.059 0.000 1.069 166 F CA -0.686 57.340 58.000 0.044 0.000 0.953 166 F CB 1.559 40.564 39.000 0.008 0.000 1.322 166 F HN 0.408 nan 8.300 nan 0.000 0.479 167 D N 0.666 121.172 120.400 0.176 0.000 2.333 167 D HA 0.279 4.919 4.640 -0.000 0.000 0.208 167 D C 0.100 176.419 176.300 0.031 0.000 0.984 167 D CA 0.739 54.784 54.000 0.075 0.000 0.873 167 D CB 0.618 41.411 40.800 -0.011 0.000 0.935 167 D HN 0.414 nan 8.370 nan 0.000 0.521 168 A N 0.142 122.883 122.820 -0.132 0.000 2.589 168 A HA 0.547 4.867 4.320 -0.000 0.000 0.296 168 A C -1.390 175.853 177.584 -0.568 0.000 1.062 168 A CA -0.556 51.162 52.037 -0.532 0.000 0.686 168 A CB 1.794 19.910 19.000 -1.473 0.000 1.282 168 A HN -0.102 nan 8.150 nan 0.000 0.404 169 V N 0.966 120.491 119.914 -0.648 0.000 2.638 169 V HA 0.715 4.834 4.120 -0.000 0.000 0.306 169 V C 0.030 175.933 176.094 -0.318 0.000 1.052 169 V CA -0.461 61.493 62.300 -0.577 0.000 0.885 169 V CB 1.940 33.259 31.823 -0.840 0.000 0.999 169 V HN 1.000 nan 8.190 nan 0.000 0.424 170 S N 5.642 121.211 115.700 -0.217 0.000 2.498 170 S HA 0.622 5.092 4.470 -0.000 0.000 0.324 170 S C -0.544 173.851 174.600 -0.342 0.000 1.071 170 S CA -0.508 57.582 58.200 -0.182 0.000 1.113 170 S CB 0.234 63.395 63.200 -0.066 0.000 0.976 170 S HN 0.549 nan 8.310 nan 0.000 0.462 171 I N 4.699 124.953 120.570 -0.527 0.000 2.352 171 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 171 I C -0.252 175.742 176.117 -0.204 0.000 1.036 171 I CA -0.403 60.616 61.300 -0.469 0.000 1.336 171 I CB 0.795 38.325 38.000 -0.784 0.000 1.407 171 I HN 0.663 nan 8.210 nan 0.000 0.497 172 C N 4.792 124.035 119.300 -0.094 0.000 3.290 172 C HA 0.147 4.607 4.460 -0.000 0.000 0.206 172 C C 1.461 176.463 174.990 0.020 0.000 1.639 172 C CA -0.861 58.154 59.018 -0.006 0.000 1.408 172 C CB -1.312 26.416 27.740 -0.020 0.000 2.197 172 C HN 0.794 nan 8.230 nan 0.000 0.508 173 N N 1.033 119.767 118.700 0.056 0.000 2.398 173 N HA 0.178 4.918 4.740 -0.000 0.000 0.188 173 N C 0.707 176.225 175.510 0.012 0.000 1.122 173 N CA 0.967 54.050 53.050 0.054 0.000 0.866 173 N CB 0.297 38.857 38.487 0.123 0.000 0.970 173 N HN 0.755 nan 8.380 nan 0.000 0.462 174 G N 1.178 109.978 108.800 -0.000 0.000 2.787 174 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.685 174 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.685 174 G C -0.352 174.436 174.900 -0.186 0.000 1.437 174 G CA -0.049 44.970 45.100 -0.135 0.000 0.872 174 G HN 0.762 nan 8.290 nan 0.000 0.566 175 H N -0.824 117.975 119.070 -0.452 0.000 2.637 175 H HA 0.371 4.927 4.556 -0.000 0.000 0.245 175 H C -0.520 174.371 175.328 -0.728 0.000 1.190 175 H CA -0.287 55.381 56.048 -0.634 0.000 0.934 175 H CB 0.311 29.434 29.762 -1.065 0.000 1.950 175 H HN 0.495 nan 8.280 nan 0.000 0.614 176 Y N 0.946 120.954 120.300 -0.487 0.000 2.672 176 Y HA 0.268 4.817 4.550 -0.000 0.000 0.272 176 Y C 1.278 176.732 175.900 -0.742 0.000 1.055 176 Y CA -0.693 56.847 58.100 -0.934 0.000 1.151 176 Y CB 0.822 38.716 38.460 -0.944 0.000 1.190 176 Y HN 0.404 nan 8.280 nan 0.000 0.574 177 E N -0.566 119.599 120.200 -0.060 0.000 2.279 177 E HA 0.175 4.525 4.350 -0.000 0.000 0.199 177 E C -0.266 176.521 176.600 0.313 0.000 0.893 177 E CA 0.382 56.854 56.400 0.120 0.000 0.978 177 E CB 0.533 30.260 29.700 0.045 0.000 0.964 177 E HN -0.023 nan 8.360 nan 0.000 0.486 178 V N 4.532 124.605 119.914 0.265 0.000 2.439 178 V HA 0.197 4.317 4.120 -0.000 0.000 0.271 178 V C -2.301 173.930 176.094 0.228 0.000 1.040 178 V CA -1.312 61.105 62.300 0.194 0.000 1.002 178 V CB 0.541 32.437 31.823 0.123 0.000 1.000 178 V HN 0.210 nan 8.190 nan 0.000 0.477 179 P HA 0.165 nan 4.420 nan 0.000 0.275 179 P C -1.179 175.977 177.300 -0.240 0.000 1.228 179 P CA -0.172 62.654 63.100 -0.456 0.000 0.786 179 P CB 0.340 31.526 31.700 -0.855 0.000 0.927 180 Y N 3.648 123.763 120.300 -0.308 0.000 2.345 180 Y HA 0.559 5.109 4.550 -0.000 0.000 0.331 180 Y C -1.049 174.792 175.900 -0.098 0.000 0.959 180 Y CA -0.737 57.297 58.100 -0.111 0.000 1.204 180 Y CB 0.352 38.826 38.460 0.024 0.000 1.135 180 Y HN 0.203 nan 8.280 nan 0.000 0.477 181 I N 9.865 129.951 120.570 -0.807 0.000 2.448 181 I HA 0.311 4.480 4.170 -0.000 0.000 0.281 181 I C -2.405 173.219 176.117 -0.822 0.000 1.027 181 I CA -2.270 58.539 61.300 -0.819 0.000 1.111 181 I CB 1.957 39.529 38.000 -0.713 0.000 1.236 181 I HN 0.463 nan 8.210 nan 0.000 0.452 182 P HA -0.084 nan 4.420 nan 0.000 0.265 182 P C -0.558 176.628 177.300 -0.189 0.000 1.193 182 P CA -0.085 62.802 63.100 -0.354 0.000 0.765 182 P CB 0.673 32.323 31.700 -0.084 0.000 0.823 183 N N 4.200 122.844 118.700 -0.092 0.000 2.400 183 N HA 0.067 4.807 4.740 -0.000 0.000 0.267 183 N C -0.391 175.127 175.510 0.012 0.000 1.208 183 N CA 0.090 53.108 53.050 -0.053 0.000 0.951 183 N CB -0.321 38.150 38.487 -0.026 0.000 1.227 183 N HN 0.213 nan 8.380 nan 0.000 0.488 184 I N 1.612 122.213 120.570 0.052 0.000 2.676 184 I HA 0.214 4.384 4.170 -0.000 0.000 0.309 184 I C 0.765 176.957 176.117 0.125 0.000 0.990 184 I CA -1.013 60.364 61.300 0.129 0.000 1.168 184 I CB 0.993 39.163 38.000 0.283 0.000 1.343 184 I HN 0.360 nan 8.210 nan 0.000 0.482 185 K N 2.526 122.987 120.400 0.102 0.000 2.419 185 K HA 0.333 4.653 4.320 -0.000 0.000 0.282 185 K C 0.783 177.463 176.600 0.133 0.000 1.056 185 K CA 1.090 57.420 56.287 0.072 0.000 1.035 185 K CB -0.430 32.078 32.500 0.013 0.000 0.921 185 K HN 0.840 nan 8.250 nan 0.000 0.472 186 G N 3.429 112.294 108.800 0.109 0.000 2.176 186 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 186 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 186 G C 0.493 175.475 174.900 0.135 0.000 0.979 186 G CA 0.280 45.465 45.100 0.140 0.000 0.641 186 G HN 0.593 nan 8.290 nan 0.000 0.530 187 L N 1.249 122.505 121.223 0.055 0.000 1.994 187 L HA 0.102 4.442 4.340 -0.000 0.000 0.208 187 L C 2.255 179.027 176.870 -0.163 0.000 1.071 187 L CA 3.055 57.726 54.840 -0.281 0.000 0.745 187 L CB -0.636 41.271 42.059 -0.253 0.000 0.892 187 L HN 0.269 nan 8.230 nan 0.000 0.431 188 D N -0.414 119.934 120.400 -0.087 0.000 2.106 188 D HA -0.293 4.347 4.640 -0.000 0.000 0.191 188 D C 2.051 178.331 176.300 -0.033 0.000 0.997 188 D CA 1.841 55.801 54.000 -0.067 0.000 0.834 188 D CB -0.037 40.734 40.800 -0.048 0.000 0.956 188 D HN 0.604 nan 8.370 nan 0.000 0.448 189 E N -1.208 118.995 120.200 0.005 0.000 2.038 189 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 189 E C 2.301 178.924 176.600 0.037 0.000 1.000 189 E CA 0.839 57.253 56.400 0.022 0.000 0.803 189 E CB -0.367 29.361 29.700 0.046 0.000 0.750 189 E HN 0.380 nan 8.360 nan 0.000 0.448 190 Y N 0.728 120.989 120.300 -0.064 0.000 2.151 190 Y HA -0.314 4.236 4.550 -0.000 0.000 0.284 190 Y C 2.007 177.848 175.900 -0.097 0.000 1.166 190 Y CA 2.038 60.099 58.100 -0.065 0.000 1.163 190 Y CB -0.466 37.919 38.460 -0.124 0.000 0.974 190 Y HN 0.131 nan 8.280 nan 0.000 0.511 191 A N 0.041 122.838 122.820 -0.039 0.000 1.898 191 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 191 A C 2.174 179.695 177.584 -0.105 0.000 1.181 191 A CA 1.836 53.818 52.037 -0.091 0.000 0.620 191 A CB -0.495 18.460 19.000 -0.075 0.000 0.819 191 A HN 0.517 nan 8.150 nan 0.000 0.442 192 K N -0.281 120.072 120.400 -0.079 0.000 2.288 192 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 192 K C 2.147 178.703 176.600 -0.074 0.000 1.048 192 K CA 0.692 56.941 56.287 -0.065 0.000 0.956 192 K CB -0.185 32.289 32.500 -0.044 0.000 0.746 192 K HN 0.442 nan 8.250 nan 0.000 0.461 193 A N 1.052 123.812 122.820 -0.100 0.000 1.873 193 A HA -0.042 4.277 4.320 -0.000 0.000 0.215 193 A C 1.021 178.539 177.584 -0.110 0.000 1.186 193 A CA 0.943 52.921 52.037 -0.098 0.000 0.616 193 A CB 0.170 19.102 19.000 -0.112 0.000 0.823 193 A HN 0.050 nan 8.150 nan 0.000 0.442 194 V N 0.479 120.297 119.914 -0.161 0.000 2.325 194 V HA 0.221 4.341 4.120 -0.000 0.000 0.280 194 V C -1.862 174.171 176.094 -0.102 0.000 1.016 194 V CA -1.035 61.187 62.300 -0.130 0.000 0.818 194 V CB 1.353 33.077 31.823 -0.166 0.000 1.019 194 V HN 0.163 nan 8.190 nan 0.000 0.434 195 P HA -0.189 nan 4.420 nan 0.000 0.219 195 P C 1.391 178.681 177.300 -0.016 0.000 1.161 195 P CA 1.895 64.974 63.100 -0.036 0.000 0.909 195 P CB 0.276 31.961 31.700 -0.025 0.000 0.793 196 G N -1.787 107.011 108.800 -0.003 0.000 3.434 196 G HA2 0.040 4.000 3.960 -0.000 0.000 0.258 196 G HA3 0.040 4.000 3.960 -0.000 0.000 0.258 196 G C 1.221 176.157 174.900 0.060 0.000 1.128 196 G CA 0.473 45.593 45.100 0.034 0.000 0.792 196 G HN 0.330 nan 8.290 nan 0.000 0.539 197 S N -0.581 115.130 115.700 0.018 0.000 2.406 197 S HA 0.082 4.552 4.470 -0.000 0.000 0.228 197 S C 0.686 175.363 174.600 0.128 0.000 1.020 197 S CA 0.315 58.538 58.200 0.039 0.000 0.965 197 S CB 0.179 63.306 63.200 -0.121 0.000 0.798 197 S HN -0.026 nan 8.310 nan 0.000 0.488 198 V N 2.536 122.515 119.914 0.108 0.000 2.378 198 V HA 0.544 4.664 4.120 -0.000 0.000 0.288 198 V C -0.399 175.786 176.094 0.152 0.000 1.016 198 V CA -0.677 61.721 62.300 0.164 0.000 0.840 198 V CB 1.218 33.112 31.823 0.119 0.000 0.994 198 V HN 0.386 nan 8.190 nan 0.000 0.431 199 L N 3.390 124.734 121.223 0.202 0.000 2.260 199 L HA 0.734 5.074 4.340 -0.000 0.000 0.265 199 L C -0.711 176.316 176.870 0.260 0.000 1.015 199 L CA -0.977 53.987 54.840 0.206 0.000 0.826 199 L CB 2.032 44.225 42.059 0.225 0.000 1.373 199 L HN 0.671 nan 8.230 nan 0.000 0.450 200 H N -1.642 117.501 119.070 0.121 0.000 2.865 200 H HA 0.218 4.774 4.556 -0.000 0.000 0.372 200 H C 0.585 175.977 175.328 0.105 0.000 1.173 200 H CA -0.068 56.036 56.048 0.092 0.000 1.147 200 H CB 1.929 31.700 29.762 0.015 0.000 1.805 200 H HN 0.570 nan 8.280 nan 0.000 0.553 201 S N 0.920 116.298 115.700 -0.537 0.000 2.400 201 S HA -0.223 4.247 4.470 -0.000 0.000 0.232 201 S C 1.815 176.485 174.600 0.117 0.000 1.025 201 S CA 1.438 59.517 58.200 -0.202 0.000 0.993 201 S CB -0.814 62.221 63.200 -0.274 0.000 0.808 201 S HN 0.631 nan 8.310 nan 0.000 0.478 202 S N 1.542 117.382 115.700 0.234 0.000 2.537 202 S HA 0.145 4.615 4.470 -0.000 0.000 0.240 202 S C 1.494 176.269 174.600 0.293 0.000 0.981 202 S CA 0.751 59.190 58.200 0.398 0.000 0.948 202 S CB -0.714 62.825 63.200 0.564 0.000 0.759 202 S HN 0.610 nan 8.310 nan 0.000 0.531 203 L N -0.568 120.822 121.223 0.279 0.000 2.616 203 L HA 0.441 4.781 4.340 -0.000 0.000 0.229 203 L C 0.566 177.608 176.870 0.286 0.000 1.110 203 L CA -0.346 54.636 54.840 0.236 0.000 0.884 203 L CB -0.148 42.041 42.059 0.216 0.000 1.115 203 L HN 0.276 nan 8.230 nan 0.000 0.481 204 F N 1.521 121.581 119.950 0.182 0.000 2.529 204 F HA 0.148 4.675 4.527 -0.000 0.000 0.365 204 F C 1.132 177.084 175.800 0.253 0.000 1.102 204 F CA 0.354 58.479 58.000 0.209 0.000 1.271 204 F CB 0.361 39.423 39.000 0.105 0.000 1.120 204 F HN -0.096 nan 8.300 nan 0.000 0.579 205 R N 2.959 123.183 120.500 -0.459 0.000 4.126 205 R HA 0.177 4.517 4.340 -0.000 0.000 0.128 205 R C -0.686 175.339 176.300 -0.459 0.000 0.687 205 R CA 0.002 55.937 56.100 -0.275 0.000 1.049 205 R CB 0.168 30.447 30.300 -0.035 0.000 1.559 205 R HN 0.596 nan 8.270 nan 0.000 0.455 206 E N 2.792 122.772 120.200 -0.367 0.000 2.199 206 E HA 0.252 4.602 4.350 -0.000 0.000 0.265 206 E C -2.043 174.500 176.600 -0.095 0.000 0.882 206 E CA -1.809 54.460 56.400 -0.218 0.000 0.759 206 E CB 2.667 32.316 29.700 -0.085 0.000 1.148 206 E HN -0.035 nan 8.360 nan 0.000 0.412 207 P HA -0.130 nan 4.420 nan 0.000 0.221 207 P C 0.423 177.880 177.300 0.262 0.000 1.150 207 P CA 0.962 64.327 63.100 0.441 0.000 0.800 207 P CB 0.456 32.392 31.700 0.393 0.000 0.787 208 E N 0.028 120.277 120.200 0.082 0.000 2.401 208 E HA -0.118 4.232 4.350 -0.000 0.000 0.199 208 E C 1.806 178.368 176.600 -0.064 0.000 1.023 208 E CA 0.346 56.764 56.400 0.030 0.000 0.859 208 E CB -1.106 28.599 29.700 0.009 0.000 0.780 208 E HN 0.207 nan 8.360 nan 0.000 0.523 209 L N -0.690 120.389 121.223 -0.240 0.000 2.275 209 L HA -0.026 4.313 4.340 -0.000 0.000 0.215 209 L C 0.874 177.444 176.870 -0.500 0.000 1.119 209 L CA 1.460 56.026 54.840 -0.457 0.000 0.790 209 L CB -0.067 41.539 42.059 -0.755 0.000 0.919 209 L HN 0.015 nan 8.230 nan 0.000 0.443 210 F N -0.761 119.243 119.950 0.090 0.000 2.664 210 F HA 0.273 4.799 4.527 -0.000 0.000 0.303 210 F C 0.924 176.766 175.800 0.070 0.000 1.092 210 F CA -0.635 57.416 58.000 0.085 0.000 1.305 210 F CB -0.997 38.064 39.000 0.101 0.000 1.054 210 F HN -0.103 nan 8.300 nan 0.000 0.565 211 V N -0.212 119.794 119.914 0.153 0.000 2.509 211 V HA 0.457 4.577 4.120 -0.000 0.000 0.297 211 V C 1.168 177.321 176.094 0.099 0.000 1.014 211 V CA 0.148 62.517 62.300 0.115 0.000 1.127 211 V CB 0.140 32.002 31.823 0.065 0.000 0.925 211 V HN 0.661 nan 8.190 nan 0.000 0.480 212 G N 2.630 111.489 108.800 0.099 0.000 2.212 212 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.266 212 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.266 212 G C 0.075 175.036 174.900 0.100 0.000 0.978 212 G CA 0.502 45.651 45.100 0.081 0.000 0.632 212 G HN 0.931 nan 8.290 nan 0.000 0.537 213 E N 0.458 120.741 120.200 0.138 0.000 2.319 213 E HA 0.489 4.839 4.350 -0.000 0.000 0.268 213 E C -0.097 176.590 176.600 0.146 0.000 1.050 213 E CA -0.022 56.468 56.400 0.150 0.000 0.878 213 E CB 1.400 31.224 29.700 0.206 0.000 1.066 213 E HN 0.131 nan 8.360 nan 0.000 0.406 214 S N 1.496 117.278 115.700 0.137 0.000 2.475 214 S HA 0.332 4.802 4.470 -0.000 0.000 0.281 214 S C -0.611 174.075 174.600 0.142 0.000 1.198 214 S CA -0.664 57.626 58.200 0.149 0.000 1.063 214 S CB 0.352 63.647 63.200 0.158 0.000 0.972 214 S HN 0.281 nan 8.310 nan 0.000 0.486 215 V N 5.525 125.513 119.914 0.123 0.000 2.769 215 V HA 0.621 4.741 4.120 -0.000 0.000 0.312 215 V C -0.723 175.421 176.094 0.082 0.000 1.061 215 V CA -0.965 61.369 62.300 0.058 0.000 0.931 215 V CB 1.744 33.522 31.823 -0.075 0.000 1.010 215 V HN 0.792 nan 8.190 nan 0.000 0.433 216 L N 4.527 125.764 121.223 0.023 0.000 2.345 216 L HA 0.632 4.972 4.340 -0.000 0.000 0.274 216 L C -0.660 176.147 176.870 -0.105 0.000 0.999 216 L CA -0.032 54.807 54.840 -0.001 0.000 0.849 216 L CB 1.536 43.578 42.059 -0.029 0.000 1.220 216 L HN 0.450 nan 8.230 nan 0.000 0.422 217 V N 5.766 125.598 119.914 -0.137 0.000 2.385 217 V HA 0.311 4.431 4.120 -0.000 0.000 0.269 217 V C -0.007 175.964 176.094 -0.205 0.000 1.043 217 V CA -0.397 61.781 62.300 -0.203 0.000 0.906 217 V CB 1.439 33.127 31.823 -0.226 0.000 0.995 217 V HN 0.576 nan 8.190 nan 0.000 0.467 218 V N 6.192 125.940 119.914 -0.277 0.000 2.350 218 V HA 0.995 5.115 4.120 -0.000 0.000 0.276 218 V C 0.211 176.192 176.094 -0.188 0.000 1.028 218 V CA 0.811 62.938 62.300 -0.289 0.000 0.860 218 V CB 0.479 31.970 31.823 -0.554 0.000 0.990 218 V HN 1.305 nan 8.190 nan 0.000 0.453 219 G N 4.078 112.807 108.800 -0.119 0.000 2.317 219 G HA2 0.408 4.368 3.960 -0.000 0.000 0.445 219 G HA3 0.408 4.368 3.960 -0.000 0.000 0.445 219 G C 0.052 174.905 174.900 -0.077 0.000 1.486 219 G CA -0.218 44.845 45.100 -0.062 0.000 0.991 219 G HN 1.463 nan 8.290 nan 0.000 0.660 220 G N -0.772 107.995 108.800 -0.056 0.000 3.528 220 G HA2 0.711 4.671 3.960 -0.000 0.000 0.266 220 G HA3 0.711 4.671 3.960 -0.000 0.000 0.266 220 G C 0.787 175.632 174.900 -0.092 0.000 1.004 220 G CA 1.409 46.461 45.100 -0.080 0.000 0.853 220 G HN 1.741 nan 8.290 nan 0.000 0.501 221 A N 0.762 123.543 122.820 -0.066 0.000 2.262 221 A HA 0.573 4.893 4.320 -0.000 0.000 0.273 221 A C 2.188 179.701 177.584 -0.118 0.000 1.202 221 A CA 0.739 52.733 52.037 -0.070 0.000 0.811 221 A CB 0.178 19.188 19.000 0.017 0.000 1.159 221 A HN 0.756 nan 8.150 nan 0.000 0.505 222 S N -0.083 115.536 115.700 -0.135 0.000 2.359 222 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 222 S C 1.954 176.511 174.600 -0.072 0.000 1.035 222 S CA 2.071 60.184 58.200 -0.144 0.000 1.018 222 S CB -1.314 61.827 63.200 -0.099 0.000 0.876 222 S HN 1.408 nan 8.310 nan 0.000 0.448 223 S N 3.252 118.938 115.700 -0.024 0.000 2.374 223 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 223 S C 2.132 176.651 174.600 -0.136 0.000 1.037 223 S CA 1.116 59.295 58.200 -0.035 0.000 1.024 223 S CB -1.188 62.014 63.200 0.004 0.000 0.861 223 S HN 0.890 nan 8.310 nan 0.000 0.456 224 A N 2.878 125.614 122.820 -0.140 0.000 1.930 224 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 224 A C 2.144 179.591 177.584 -0.229 0.000 1.175 224 A CA 1.366 53.289 52.037 -0.190 0.000 0.627 224 A CB -0.688 18.223 19.000 -0.150 0.000 0.815 224 A HN 0.556 nan 8.150 nan 0.000 0.443 225 N N 0.523 119.101 118.700 -0.204 0.000 2.331 225 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 225 N C 0.857 176.195 175.510 -0.287 0.000 1.019 225 N CA 1.317 54.236 53.050 -0.219 0.000 0.881 225 N CB -0.315 38.061 38.487 -0.185 0.000 0.972 225 N HN 0.444 nan 8.380 nan 0.000 0.435 226 D N 0.961 121.172 120.400 -0.315 0.000 2.097 226 D HA -0.088 4.551 4.640 -0.000 0.000 0.197 226 D C 2.086 177.906 176.300 -0.800 0.000 0.984 226 D CA 0.344 54.036 54.000 -0.513 0.000 0.826 226 D CB -0.270 40.340 40.800 -0.318 0.000 0.973 226 D HN 0.094 nan 8.370 nan 0.000 0.460 227 L N 0.982 121.847 121.223 -0.595 0.000 2.012 227 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 227 L C 2.322 178.887 176.870 -0.509 0.000 1.073 227 L CA 1.295 55.738 54.840 -0.662 0.000 0.748 227 L CB -0.568 41.111 42.059 -0.633 0.000 0.891 227 L HN -0.140 nan 8.230 nan 0.000 0.431 228 V N -0.109 119.566 119.914 -0.398 0.000 2.282 228 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 228 V C 2.772 178.709 176.094 -0.261 0.000 1.057 228 V CA 2.246 64.363 62.300 -0.304 0.000 1.032 228 V CB -0.656 31.014 31.823 -0.256 0.000 0.645 228 V HN 0.468 nan 8.190 nan 0.000 0.447 229 R N -1.089 119.235 120.500 -0.293 0.000 2.081 229 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 229 R C 2.225 178.485 176.300 -0.066 0.000 1.131 229 R CA 1.770 57.752 56.100 -0.197 0.000 0.960 229 R CB -0.418 29.742 30.300 -0.234 0.000 0.856 229 R HN 0.694 nan 8.270 nan 0.000 0.436 230 H N -0.122 118.861 119.070 -0.145 0.000 2.423 230 H HA -0.037 4.519 4.556 -0.000 0.000 0.297 230 H C 1.959 177.268 175.328 -0.033 0.000 1.075 230 H CA 0.768 56.771 56.048 -0.075 0.000 1.342 230 H CB 0.136 29.829 29.762 -0.116 0.000 1.395 230 H HN 0.115 nan 8.280 nan 0.000 0.530 231 L N -0.158 121.054 121.223 -0.019 0.000 2.341 231 L HA -0.059 4.280 4.340 -0.000 0.000 0.214 231 L C 2.239 179.123 176.870 0.024 0.000 1.115 231 L CA 0.408 55.237 54.840 -0.017 0.000 0.820 231 L CB -0.192 41.752 42.059 -0.192 0.000 0.944 231 L HN 0.242 nan 8.230 nan 0.000 0.452 232 T N 0.976 115.524 114.554 -0.010 0.000 2.699 232 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 232 T C -0.526 174.286 174.700 0.186 0.000 1.036 232 T CA 1.646 63.757 62.100 0.018 0.000 1.147 232 T CB -0.985 67.858 68.868 -0.041 0.000 0.862 232 T HN 0.317 nan 8.240 nan 0.000 0.446 233 P HA 0.123 nan 4.420 nan 0.000 0.245 233 P C 1.090 178.458 177.300 0.113 0.000 1.212 233 P CA 0.680 63.855 63.100 0.125 0.000 0.774 233 P CB -0.084 31.672 31.700 0.094 0.000 0.999 234 V N -4.268 115.730 119.914 0.140 0.000 3.250 234 V HA 0.500 4.620 4.120 -0.000 0.000 0.240 234 V C 1.185 177.370 176.094 0.151 0.000 1.275 234 V CA 0.210 62.591 62.300 0.136 0.000 1.206 234 V CB -0.950 30.975 31.823 0.169 0.000 0.976 234 V HN 0.009 nan 8.190 nan 0.000 0.467 235 A N 1.534 124.457 122.820 0.173 0.000 2.406 235 A HA 0.383 4.703 4.320 -0.000 0.000 0.243 235 A C 0.400 178.095 177.584 0.184 0.000 1.082 235 A CA -0.015 52.122 52.037 0.167 0.000 0.786 235 A CB 0.100 19.162 19.000 0.104 0.000 1.029 235 A HN 0.578 nan 8.150 nan 0.000 0.495 236 K N 0.615 121.105 120.400 0.150 0.000 2.382 236 K HA 0.097 4.417 4.320 -0.000 0.000 0.275 236 K C -0.766 175.964 176.600 0.216 0.000 1.009 236 K CA -0.126 56.246 56.287 0.140 0.000 0.970 236 K CB 0.099 32.661 32.500 0.104 0.000 0.934 236 K HN 0.807 nan 8.250 nan 0.000 0.479 237 H N 3.584 122.640 119.070 -0.023 0.000 2.582 237 H HA 0.275 4.831 4.556 -0.000 0.000 0.345 237 H C -1.895 173.384 175.328 -0.081 0.000 1.104 237 H CA -1.762 54.245 56.048 -0.068 0.000 1.390 237 H CB 0.857 30.582 29.762 -0.061 0.000 1.461 237 H HN 0.567 nan 8.280 nan 0.000 0.551 238 P HA 0.336 nan 4.420 nan 0.000 0.285 238 P C -0.414 176.619 177.300 -0.446 0.000 1.285 238 P CA -0.608 62.289 63.100 -0.340 0.000 0.854 238 P CB 1.915 33.360 31.700 -0.426 0.000 1.180 239 I N 0.796 121.095 120.570 -0.451 0.000 2.396 239 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 239 I C -0.080 175.780 176.117 -0.428 0.000 0.999 239 I CA -0.681 60.421 61.300 -0.331 0.000 1.310 239 I CB 0.367 38.206 38.000 -0.267 0.000 1.404 239 I HN 0.262 nan 8.210 nan 0.000 0.496 240 Y N 4.418 124.641 120.300 -0.129 0.000 2.330 240 Y HA 0.384 4.934 4.550 -0.000 0.000 0.336 240 Y C 0.178 175.989 175.900 -0.148 0.000 1.036 240 Y CA -0.425 57.599 58.100 -0.126 0.000 1.125 240 Y CB 1.228 39.623 38.460 -0.109 0.000 1.194 240 Y HN 0.455 nan 8.280 nan 0.000 0.469 241 Q N 2.235 122.025 119.800 -0.017 0.000 2.309 241 Q HA 0.352 4.692 4.340 -0.000 0.000 0.270 241 Q C -1.091 174.870 176.000 -0.065 0.000 1.023 241 Q CA -0.596 55.160 55.803 -0.078 0.000 0.758 241 Q CB 1.439 30.105 28.738 -0.120 0.000 1.247 241 Q HN 0.656 nan 8.270 nan 0.000 0.455 242 S N 6.287 121.934 115.700 -0.088 0.000 2.473 242 S HA 0.303 4.773 4.470 -0.000 0.000 0.312 242 S C -0.210 174.341 174.600 -0.082 0.000 1.087 242 S CA -0.665 57.481 58.200 -0.089 0.000 1.077 242 S CB -0.030 63.097 63.200 -0.123 0.000 1.065 242 S HN 0.601 nan 8.310 nan 0.000 0.510 243 L N 5.349 126.532 121.223 -0.066 0.000 2.375 243 L HA 0.323 4.663 4.340 -0.000 0.000 0.271 243 L C 1.365 178.211 176.870 -0.041 0.000 1.107 243 L CA -0.279 54.528 54.840 -0.056 0.000 0.806 243 L CB 0.810 42.834 42.059 -0.058 0.000 1.146 243 L HN 0.578 nan 8.230 nan 0.000 0.447 244 L N 2.926 124.134 121.223 -0.026 0.000 1.990 244 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 244 L C 1.938 178.796 176.870 -0.020 0.000 1.072 244 L CA 2.124 56.956 54.840 -0.013 0.000 0.755 244 L CB -0.852 41.208 42.059 0.002 0.000 0.889 244 L HN 0.865 nan 8.230 nan 0.000 0.432 245 G N -1.950 106.835 108.800 -0.025 0.000 3.707 245 G HA2 0.479 4.439 3.960 -0.000 0.000 0.286 245 G HA3 0.479 4.439 3.960 -0.000 0.000 0.286 245 G C 0.657 175.538 174.900 -0.032 0.000 1.112 245 G CA 0.283 45.367 45.100 -0.026 0.000 0.861 245 G HN 0.664 nan 8.290 nan 0.000 0.534 246 G N -1.259 107.518 108.800 -0.037 0.000 2.782 246 G HA2 0.402 4.362 3.960 -0.000 0.000 0.228 246 G HA3 0.402 4.362 3.960 -0.000 0.000 0.228 246 G C 0.273 175.146 174.900 -0.046 0.000 1.372 246 G CA -0.375 44.701 45.100 -0.041 0.000 0.862 246 G HN 1.314 nan 8.290 nan 0.000 0.547 247 G N -2.374 106.398 108.800 -0.048 0.000 2.949 247 G HA2 0.640 4.600 3.960 -0.000 0.000 0.285 247 G HA3 0.640 4.600 3.960 -0.000 0.000 0.285 247 G C -0.208 174.662 174.900 -0.050 0.000 1.395 247 G CA 0.614 45.682 45.100 -0.054 0.000 0.901 247 G HN 0.566 nan 8.290 nan 0.000 0.519 248 D N -0.562 119.805 120.400 -0.054 0.000 2.398 248 D HA 0.156 4.796 4.640 -0.000 0.000 0.210 248 D C 0.511 176.779 176.300 -0.054 0.000 1.094 248 D CA 0.313 54.284 54.000 -0.049 0.000 0.839 248 D CB 1.089 41.862 40.800 -0.046 0.000 0.963 248 D HN 0.181 nan 8.370 nan 0.000 0.506 249 I N 2.404 122.935 120.570 -0.064 0.000 2.312 249 I HA 0.138 4.308 4.170 -0.000 0.000 0.290 249 I C -0.334 175.735 176.117 -0.080 0.000 1.008 249 I CA -0.310 60.946 61.300 -0.074 0.000 1.226 249 I CB 0.916 38.863 38.000 -0.087 0.000 1.371 249 I HN -0.323 nan 8.210 nan 0.000 0.468 250 Q N 7.478 127.233 119.800 -0.074 0.000 2.878 250 Q HA 0.378 4.717 4.340 -0.000 0.000 0.232 250 Q C -1.362 174.592 176.000 -0.076 0.000 0.893 250 Q CA -0.598 55.158 55.803 -0.077 0.000 0.742 250 Q CB 1.447 30.152 28.738 -0.055 0.000 1.354 250 Q HN 0.778 nan 8.270 nan 0.000 0.466 251 N N -0.204 118.437 118.700 -0.099 0.000 3.379 251 N HA 0.203 4.943 4.740 -0.000 0.000 0.350 251 N C 0.566 176.016 175.510 -0.100 0.000 1.553 251 N CA -0.558 52.442 53.050 -0.084 0.000 0.712 251 N CB 1.100 39.541 38.487 -0.077 0.000 1.880 251 N HN 0.199 nan 8.380 nan 0.000 0.648 252 E N 0.427 120.584 120.200 -0.071 0.000 2.106 252 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 252 E C 1.384 177.922 176.600 -0.103 0.000 0.984 252 E CA 1.825 58.196 56.400 -0.049 0.000 0.806 252 E CB -0.025 29.682 29.700 0.013 0.000 0.750 252 E HN 0.635 nan 8.360 nan 0.000 0.458 253 S N -0.312 115.275 115.700 -0.187 0.000 2.470 253 S HA 0.081 4.551 4.470 -0.000 0.000 0.222 253 S C 0.771 175.100 174.600 -0.452 0.000 1.024 253 S CA -0.330 57.577 58.200 -0.490 0.000 0.931 253 S CB 0.260 63.191 63.200 -0.449 0.000 0.791 253 S HN 0.133 nan 8.310 nan 0.000 0.513 254 L N 2.125 123.165 121.223 -0.306 0.000 2.406 254 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 254 L C -1.607 175.110 176.870 -0.255 0.000 0.980 254 L CA -0.305 54.363 54.840 -0.287 0.000 0.831 254 L CB 2.063 43.990 42.059 -0.220 0.000 1.253 254 L HN 0.004 nan 8.230 nan 0.000 0.406 255 Q N 4.764 124.377 119.800 -0.311 0.000 2.454 255 Q HA 0.371 4.711 4.340 -0.000 0.000 0.255 255 Q C -1.130 174.807 176.000 -0.105 0.000 1.034 255 Q CA -0.214 55.458 55.803 -0.218 0.000 0.736 255 Q CB 1.740 30.295 28.738 -0.304 0.000 1.210 255 Q HN 0.661 nan 8.270 nan 0.000 0.500 256 Q N 1.273 121.023 119.800 -0.083 0.000 2.304 256 Q HA 0.445 4.785 4.340 -0.000 0.000 0.260 256 Q C 0.355 176.340 176.000 -0.025 0.000 0.965 256 Q CA -0.276 55.492 55.803 -0.058 0.000 0.898 256 Q CB 1.385 30.080 28.738 -0.073 0.000 1.196 256 Q HN 0.460 nan 8.270 nan 0.000 0.402 257 V N -0.527 119.377 119.914 -0.018 0.000 3.156 257 V HA 0.722 4.842 4.120 -0.000 0.000 0.311 257 V C -2.723 173.345 176.094 -0.044 0.000 1.208 257 V CA -2.630 59.657 62.300 -0.022 0.000 1.063 257 V CB 1.846 33.661 31.823 -0.012 0.000 1.098 257 V HN 0.617 nan 8.190 nan 0.000 0.452 258 P HA 0.258 nan 4.420 nan 0.000 0.279 258 P C -0.336 176.927 177.300 -0.062 0.000 1.276 258 P CA -0.292 62.778 63.100 -0.050 0.000 0.801 258 P CB 0.425 32.099 31.700 -0.044 0.000 1.127 259 E N 0.162 120.332 120.200 -0.050 0.000 2.492 259 E HA 0.021 4.371 4.350 -0.000 0.000 0.266 259 E C -0.254 176.300 176.600 -0.077 0.000 1.187 259 E CA -0.073 56.298 56.400 -0.050 0.000 1.036 259 E CB -0.049 29.639 29.700 -0.020 0.000 0.994 259 E HN 0.297 nan 8.360 nan 0.000 0.468 260 I N 1.747 122.265 120.570 -0.087 0.000 2.365 260 I HA 0.015 4.185 4.170 -0.000 0.000 0.291 260 I C 0.977 177.033 176.117 -0.101 0.000 1.004 260 I CA -0.259 60.948 61.300 -0.155 0.000 1.311 260 I CB 1.487 39.339 38.000 -0.246 0.000 1.401 260 I HN 0.618 nan 8.210 nan 0.000 0.491 261 T N 4.985 119.475 114.554 -0.106 0.000 2.837 261 T HA 0.127 4.477 4.350 -0.000 0.000 0.248 261 T C 0.416 175.067 174.700 -0.082 0.000 1.033 261 T CA 0.808 62.873 62.100 -0.059 0.000 1.150 261 T CB 0.222 69.081 68.868 -0.015 0.000 0.865 261 T HN 0.486 nan 8.240 nan 0.000 0.425 262 K N -0.325 119.994 120.400 -0.135 0.000 2.536 262 K HA 0.507 4.827 4.320 -0.000 0.000 0.269 262 K C -1.884 174.584 176.600 -0.221 0.000 0.965 262 K CA -0.672 55.533 56.287 -0.136 0.000 0.860 262 K CB 1.938 34.314 32.500 -0.207 0.000 1.423 262 K HN -0.011 nan 8.250 nan 0.000 0.438 263 F N 1.179 121.086 119.950 -0.072 0.000 2.427 263 F HA 0.167 4.694 4.527 -0.000 0.000 0.346 263 F C 0.210 176.001 175.800 -0.016 0.000 1.120 263 F CA -0.449 57.477 58.000 -0.124 0.000 1.033 263 F CB 1.258 40.116 39.000 -0.236 0.000 1.126 263 F HN 0.353 nan 8.300 nan 0.000 0.462 264 D N 6.343 126.868 120.400 0.208 0.000 2.479 264 D HA 0.220 4.860 4.640 -0.000 0.000 0.218 264 D C -1.903 174.561 176.300 0.273 0.000 1.131 264 D CA -2.224 51.894 54.000 0.197 0.000 0.916 264 D CB 1.410 42.355 40.800 0.241 0.000 1.022 264 D HN 0.187 nan 8.370 nan 0.000 0.515 265 P HA -0.172 nan 4.420 nan 0.000 0.216 265 P C 1.420 178.815 177.300 0.158 0.000 1.150 265 P CA 1.633 64.879 63.100 0.243 0.000 0.843 265 P CB 0.149 31.941 31.700 0.154 0.000 0.787 266 T N -4.298 110.329 114.554 0.122 0.000 2.812 266 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 266 T C 1.654 176.410 174.700 0.094 0.000 1.042 266 T CA 1.905 64.057 62.100 0.086 0.000 1.140 266 T CB -1.548 67.359 68.868 0.065 0.000 0.870 266 T HN 0.188 nan 8.240 nan 0.000 0.445 267 T N -1.266 113.362 114.554 0.124 0.000 3.069 267 T HA 0.305 4.655 4.350 -0.000 0.000 0.252 267 T C 0.751 175.540 174.700 0.149 0.000 1.053 267 T CA -0.522 61.647 62.100 0.115 0.000 0.964 267 T CB -0.337 68.597 68.868 0.110 0.000 1.005 267 T HN 0.429 nan 8.240 nan 0.000 0.532 268 R N 1.384 122.023 120.500 0.232 0.000 3.416 268 R HA -0.128 4.211 4.340 -0.000 0.000 0.263 268 R C -0.964 175.517 176.300 0.301 0.000 1.053 268 R CA 0.657 56.989 56.100 0.386 0.000 0.705 268 R CB -2.182 28.277 30.300 0.264 0.000 1.124 268 R HN 0.676 nan 8.270 nan 0.000 0.444 269 E N 0.451 120.772 120.200 0.202 0.000 2.202 269 E HA 0.499 4.849 4.350 -0.000 0.000 0.272 269 E C 0.078 176.673 176.600 -0.008 0.000 0.951 269 E CA -0.771 55.660 56.400 0.052 0.000 0.813 269 E CB 1.442 31.152 29.700 0.016 0.000 1.151 269 E HN 0.152 nan 8.360 nan 0.000 0.398 270 I N 3.172 123.621 120.570 -0.200 0.000 2.382 270 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 270 I C -0.999 174.927 176.117 -0.318 0.000 1.007 270 I CA -0.797 60.286 61.300 -0.362 0.000 1.142 270 I CB 0.500 38.203 38.000 -0.497 0.000 1.289 270 I HN 0.393 nan 8.210 nan 0.000 0.453 271 Y N 6.582 126.672 120.300 -0.350 0.000 2.359 271 Y HA 0.431 4.981 4.550 -0.000 0.000 0.334 271 Y C 0.103 175.859 175.900 -0.240 0.000 1.058 271 Y CA -0.334 57.623 58.100 -0.239 0.000 1.244 271 Y CB 0.715 39.070 38.460 -0.175 0.000 1.187 271 Y HN 0.337 nan 8.280 nan 0.000 0.510 272 L N 3.661 124.822 121.223 -0.104 0.000 2.329 272 L HA 0.426 4.766 4.340 -0.000 0.000 0.279 272 L C 0.078 176.918 176.870 -0.050 0.000 1.014 272 L CA -1.295 53.485 54.840 -0.100 0.000 0.814 272 L CB 1.538 43.520 42.059 -0.128 0.000 1.257 272 L HN 0.492 nan 8.230 nan 0.000 0.424 273 K N 1.782 122.158 120.400 -0.041 0.000 2.466 273 K HA 0.155 4.475 4.320 -0.000 0.000 0.278 273 K C 0.885 177.468 176.600 -0.027 0.000 1.048 273 K CA 1.255 57.528 56.287 -0.024 0.000 1.088 273 K CB 0.088 32.574 32.500 -0.023 0.000 0.884 273 K HN 0.886 nan 8.250 nan 0.000 0.478 274 G N 2.328 111.117 108.800 -0.018 0.000 2.192 274 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.193 274 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.193 274 G C 0.717 175.602 174.900 -0.024 0.000 0.999 274 G CA -0.024 45.063 45.100 -0.022 0.000 0.659 274 G HN 1.383 nan 8.290 nan 0.000 0.503 275 G N -0.318 108.470 108.800 -0.020 0.000 2.258 275 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.233 275 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.233 275 G C 0.521 175.374 174.900 -0.078 0.000 1.006 275 G CA 0.949 46.033 45.100 -0.026 0.000 0.620 275 G HN 1.673 nan 8.290 nan 0.000 0.511 276 K N 1.035 121.382 120.400 -0.088 0.000 2.484 276 K HA 0.473 4.792 4.320 -0.000 0.000 0.280 276 K C -0.129 176.343 176.600 -0.213 0.000 1.013 276 K CA 0.572 56.783 56.287 -0.127 0.000 1.029 276 K CB 0.971 33.412 32.500 -0.099 0.000 0.902 276 K HN 0.927 nan 8.250 nan 0.000 0.481 277 V N 6.882 126.632 119.914 -0.273 0.000 2.577 277 V HA 0.476 4.596 4.120 -0.000 0.000 0.303 277 V C -1.150 174.737 176.094 -0.345 0.000 1.042 277 V CA -0.866 61.181 62.300 -0.420 0.000 0.872 277 V CB 1.235 32.700 31.823 -0.595 0.000 0.998 277 V HN 0.739 nan 8.190 nan 0.000 0.423 278 L N 6.173 127.176 121.223 -0.366 0.000 2.334 278 L HA 0.864 5.204 4.340 -0.000 0.000 0.275 278 L C 0.039 176.755 176.870 -0.257 0.000 1.036 278 L CA -0.229 54.396 54.840 -0.359 0.000 0.807 278 L CB 2.135 43.909 42.059 -0.476 0.000 1.231 278 L HN 0.864 nan 8.230 nan 0.000 0.438 279 S N 0.180 115.763 115.700 -0.195 0.000 2.579 279 S HA 0.487 4.957 4.470 -0.000 0.000 0.272 279 S C -0.579 173.994 174.600 -0.043 0.000 1.141 279 S CA -0.901 57.248 58.200 -0.086 0.000 0.843 279 S CB 1.862 65.021 63.200 -0.067 0.000 1.122 279 S HN 0.694 nan 8.310 nan 0.000 0.468 280 N N 0.074 118.786 118.700 0.020 0.000 2.783 280 N HA -0.101 4.638 4.740 -0.000 0.000 0.247 280 N C -1.085 174.459 175.510 0.055 0.000 1.089 280 N CA 0.521 53.596 53.050 0.042 0.000 0.690 280 N CB -1.170 37.335 38.487 0.031 0.000 0.991 280 N HN 0.688 nan 8.380 nan 0.000 0.552 281 I N 1.213 121.831 120.570 0.080 0.000 2.297 281 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 281 I C 1.516 177.721 176.117 0.147 0.000 1.033 281 I CA -0.252 61.108 61.300 0.101 0.000 1.253 281 I CB 1.048 39.103 38.000 0.092 0.000 1.396 281 I HN 0.016 nan 8.210 nan 0.000 0.476 282 D N 5.874 126.351 120.400 0.129 0.000 2.097 282 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 282 D C 0.634 177.026 176.300 0.153 0.000 0.984 282 D CA 1.267 55.344 54.000 0.128 0.000 0.826 282 D CB 0.533 41.410 40.800 0.129 0.000 0.973 282 D HN 0.418 nan 8.370 nan 0.000 0.460 283 R N 0.273 120.874 120.500 0.169 0.000 2.628 283 R HA 0.524 4.864 4.340 -0.000 0.000 0.288 283 R C -0.990 175.391 176.300 0.135 0.000 0.980 283 R CA -0.657 55.549 56.100 0.178 0.000 0.891 283 R CB 2.711 33.149 30.300 0.229 0.000 1.188 283 R HN -0.195 nan 8.270 nan 0.000 0.450 284 V N 4.847 124.859 119.914 0.163 0.000 2.378 284 V HA 0.475 4.595 4.120 -0.000 0.000 0.288 284 V C 0.001 176.143 176.094 0.080 0.000 1.016 284 V CA -0.609 61.761 62.300 0.117 0.000 0.840 284 V CB 1.682 33.651 31.823 0.244 0.000 0.994 284 V HN 0.565 nan 8.190 nan 0.000 0.431 285 I N 5.381 125.921 120.570 -0.050 0.000 2.359 285 I HA 0.379 4.548 4.170 -0.000 0.000 0.284 285 I C -0.805 175.243 176.117 -0.115 0.000 1.018 285 I CA -0.646 60.625 61.300 -0.049 0.000 1.173 285 I CB 0.979 38.878 38.000 -0.169 0.000 1.326 285 I HN 0.456 nan 8.210 nan 0.000 0.462 286 Y N 4.634 124.916 120.300 -0.029 0.000 2.465 286 Y HA 0.080 4.629 4.550 -0.000 0.000 0.331 286 Y C 0.765 176.559 175.900 -0.177 0.000 1.102 286 Y CA 0.192 58.275 58.100 -0.029 0.000 1.358 286 Y CB 0.844 39.352 38.460 0.080 0.000 1.213 286 Y HN 0.587 nan 8.280 nan 0.000 0.525 287 C N 2.258 121.515 119.300 -0.071 0.000 2.624 287 C HA 0.096 4.556 4.460 -0.000 0.000 0.263 287 C C 1.414 176.405 174.990 0.000 0.000 1.587 287 C CA -0.260 58.675 59.018 -0.139 0.000 1.718 287 C CB -1.548 26.099 27.740 -0.155 0.000 3.050 287 C HN 0.965 nan 8.230 nan 0.000 0.517 288 T N -1.753 112.881 114.554 0.133 0.000 3.219 288 T HA 0.442 4.791 4.350 -0.000 0.000 0.249 288 T C 1.191 176.093 174.700 0.337 0.000 1.099 288 T CA 0.764 63.025 62.100 0.267 0.000 0.988 288 T CB 0.117 69.189 68.868 0.340 0.000 0.999 288 T HN 1.020 nan 8.240 nan 0.000 0.550 289 G N 1.000 109.929 108.800 0.215 0.000 2.593 289 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.237 289 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.237 289 G C -0.863 174.106 174.900 0.114 0.000 1.312 289 G CA -0.391 44.867 45.100 0.264 0.000 0.896 289 G HN 0.449 nan 8.290 nan 0.000 0.574 290 Y N -1.368 119.159 120.300 0.379 0.000 2.693 290 Y HA 0.812 5.362 4.550 -0.000 0.000 0.331 290 Y C 0.719 176.730 175.900 0.184 0.000 1.092 290 Y CA -1.058 57.220 58.100 0.298 0.000 1.131 290 Y CB 1.346 39.988 38.460 0.303 0.000 1.318 290 Y HN 0.575 nan 8.280 nan 0.000 0.510 291 L N 0.674 122.074 121.223 0.295 0.000 2.346 291 L HA 0.450 4.790 4.340 -0.000 0.000 0.274 291 L C -1.236 175.702 176.870 0.112 0.000 1.007 291 L CA -1.052 53.898 54.840 0.183 0.000 0.818 291 L CB 1.377 43.537 42.059 0.168 0.000 1.284 291 L HN 0.514 nan 8.230 nan 0.000 0.424 292 Y N 0.982 121.326 120.300 0.073 0.000 2.397 292 Y HA 0.241 4.791 4.550 -0.000 0.000 0.335 292 Y C 0.703 176.623 175.900 0.034 0.000 1.213 292 Y CA 0.614 58.740 58.100 0.042 0.000 1.391 292 Y CB 1.297 39.743 38.460 -0.024 0.000 1.293 292 Y HN 0.454 nan 8.280 nan 0.000 0.557 293 S N 1.350 117.149 115.700 0.164 0.000 2.548 293 S HA 0.641 5.111 4.470 -0.000 0.000 0.276 293 S C -1.587 173.077 174.600 0.106 0.000 1.129 293 S CA -0.697 57.559 58.200 0.093 0.000 0.931 293 S CB 0.941 64.163 63.200 0.037 0.000 1.068 293 S HN 0.351 nan 8.310 nan 0.000 0.480 294 V N 6.913 126.874 119.914 0.078 0.000 2.361 294 V HA 0.372 4.492 4.120 -0.000 0.000 0.252 294 V C -2.007 174.041 176.094 -0.077 0.000 0.986 294 V CA -1.247 61.142 62.300 0.149 0.000 1.033 294 V CB 1.168 33.149 31.823 0.263 0.000 1.282 294 V HN 0.782 nan 8.190 nan 0.000 0.514 295 P HA 0.070 nan 4.420 nan 0.000 0.262 295 P C -0.548 176.266 177.300 -0.810 0.000 1.647 295 P CA 0.337 63.111 63.100 -0.544 0.000 0.865 295 P CB -0.627 30.773 31.700 -0.500 0.000 1.834 296 F N 0.072 120.029 119.950 0.013 0.000 2.434 296 F HA 0.366 4.893 4.527 -0.000 0.000 0.355 296 F C -1.410 174.404 175.800 0.023 0.000 1.115 296 F CA -2.700 55.303 58.000 0.006 0.000 1.010 296 F CB 1.496 40.485 39.000 -0.018 0.000 1.234 296 F HN -0.161 nan 8.300 nan 0.000 0.439 297 P HA -0.269 nan 4.420 nan 0.000 0.221 297 P C 1.519 178.887 177.300 0.114 0.000 1.160 297 P CA 2.050 65.205 63.100 0.092 0.000 0.933 297 P CB 0.188 31.933 31.700 0.074 0.000 0.793 298 S N -1.629 114.153 115.700 0.138 0.000 2.469 298 S HA -0.072 4.398 4.470 -0.000 0.000 0.238 298 S C 1.721 176.412 174.600 0.153 0.000 0.998 298 S CA 0.930 59.211 58.200 0.135 0.000 0.957 298 S CB -0.722 62.564 63.200 0.142 0.000 0.764 298 S HN 0.124 nan 8.310 nan 0.000 0.514 299 L N -0.042 121.285 121.223 0.173 0.000 2.388 299 L HA 0.243 4.582 4.340 -0.000 0.000 0.209 299 L C 2.586 179.534 176.870 0.130 0.000 1.061 299 L CA 0.675 55.608 54.840 0.155 0.000 0.834 299 L CB -0.508 41.651 42.059 0.167 0.000 1.029 299 L HN 0.260 nan 8.230 nan 0.000 0.473 300 A N 1.394 124.287 122.820 0.122 0.000 2.015 300 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 300 A C 2.254 179.879 177.584 0.068 0.000 1.163 300 A CA 1.633 53.718 52.037 0.080 0.000 0.646 300 A CB -0.374 18.656 19.000 0.050 0.000 0.806 300 A HN 0.493 nan 8.150 nan 0.000 0.448 301 K N -0.103 120.343 120.400 0.076 0.000 2.288 301 K HA 0.075 4.394 4.320 -0.000 0.000 0.201 301 K C 0.113 176.757 176.600 0.074 0.000 1.048 301 K CA 0.224 56.551 56.287 0.066 0.000 0.956 301 K CB -0.559 31.980 32.500 0.065 0.000 0.746 301 K HN 0.394 nan 8.250 nan 0.000 0.461 302 L N 2.476 123.757 121.223 0.095 0.000 2.534 302 L HA 0.048 4.388 4.340 -0.000 0.000 0.271 302 L C 0.823 177.751 176.870 0.096 0.000 1.178 302 L CA 0.280 55.188 54.840 0.114 0.000 0.907 302 L CB 0.458 42.614 42.059 0.160 0.000 1.164 302 L HN 0.249 nan 8.230 nan 0.000 0.482 303 K N 0.860 121.309 120.400 0.083 0.000 2.481 303 K HA 0.085 4.404 4.320 -0.000 0.000 0.210 303 K C 0.597 177.235 176.600 0.062 0.000 1.161 303 K CA -0.092 56.231 56.287 0.061 0.000 1.023 303 K CB 0.975 33.501 32.500 0.043 0.000 0.971 303 K HN 0.686 nan 8.250 nan 0.000 0.577 304 S N 1.494 117.242 115.700 0.080 0.000 2.576 304 S HA 0.130 4.600 4.470 -0.000 0.000 0.276 304 S C -1.959 172.698 174.600 0.094 0.000 1.339 304 S CA -0.999 57.247 58.200 0.076 0.000 1.039 304 S CB 1.088 64.335 63.200 0.079 0.000 0.902 304 S HN -0.191 nan 8.310 nan 0.000 0.516 305 P HA -0.190 nan 4.420 nan 0.000 0.217 305 P C 1.262 178.665 177.300 0.173 0.000 1.151 305 P CA 1.498 64.661 63.100 0.105 0.000 0.849 305 P CB -0.008 31.742 31.700 0.084 0.000 0.787 306 E N -1.311 118.972 120.200 0.138 0.000 2.479 306 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 306 E C 1.043 177.725 176.600 0.136 0.000 1.049 306 E CA 1.201 57.678 56.400 0.130 0.000 0.870 306 E CB -0.847 28.901 29.700 0.080 0.000 0.944 306 E HN 0.330 nan 8.360 nan 0.000 0.492 307 T N -1.710 112.958 114.554 0.190 0.000 3.016 307 T HA 0.117 4.467 4.350 -0.000 0.000 0.271 307 T C 0.667 175.591 174.700 0.372 0.000 0.968 307 T CA -0.483 61.787 62.100 0.284 0.000 0.891 307 T CB -0.033 68.981 68.868 0.243 0.000 1.149 307 T HN 0.173 nan 8.240 nan 0.000 0.524 308 K N 1.124 121.685 120.400 0.268 0.000 2.319 308 K HA 0.316 4.636 4.320 -0.000 0.000 0.265 308 K C 0.219 176.962 176.600 0.239 0.000 1.000 308 K CA -0.736 55.675 56.287 0.207 0.000 0.943 308 K CB 0.817 33.384 32.500 0.111 0.000 0.950 308 K HN -0.091 nan 8.250 nan 0.000 0.485 309 L N 1.021 122.323 121.223 0.131 0.000 2.515 309 L HA 0.329 4.668 4.340 -0.000 0.000 0.202 309 L C 0.483 177.320 176.870 -0.055 0.000 1.056 309 L CA 0.399 55.272 54.840 0.056 0.000 0.847 309 L CB -0.175 41.912 42.059 0.047 0.000 1.131 309 L HN 0.746 nan 8.230 nan 0.000 0.484 310 I N 0.417 120.966 120.570 -0.034 0.000 2.608 310 I HA 0.241 4.411 4.170 -0.000 0.000 0.295 310 I C 0.169 176.242 176.117 -0.072 0.000 1.049 310 I CA -0.257 60.991 61.300 -0.086 0.000 1.063 310 I CB 2.169 40.156 38.000 -0.023 0.000 1.248 310 I HN 0.189 nan 8.210 nan 0.000 0.424 311 D N 3.128 123.462 120.400 -0.110 0.000 3.000 311 D HA -0.002 4.638 4.640 -0.000 0.000 0.190 311 D C 0.442 176.717 176.300 -0.043 0.000 1.503 311 D CA 0.155 54.113 54.000 -0.071 0.000 1.496 311 D CB 0.220 40.962 40.800 -0.097 0.000 1.163 311 D HN 0.484 nan 8.370 nan 0.000 0.231 312 D N -0.023 120.349 120.400 -0.047 0.000 2.369 312 D HA 0.167 4.806 4.640 -0.000 0.000 0.211 312 D C 1.503 177.804 176.300 0.003 0.000 1.077 312 D CA 0.728 54.723 54.000 -0.009 0.000 0.842 312 D CB 0.446 41.246 40.800 -0.000 0.000 0.947 312 D HN 0.605 nan 8.370 nan 0.000 0.509 313 G N 0.772 109.563 108.800 -0.014 0.000 2.136 313 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.242 313 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.242 313 G C 1.071 176.045 174.900 0.123 0.000 0.989 313 G CA 0.841 45.975 45.100 0.057 0.000 0.682 313 G HN 0.600 nan 8.290 nan 0.000 0.522 314 S N -0.090 115.646 115.700 0.060 0.000 2.436 314 S HA 0.308 4.778 4.470 -0.000 0.000 0.228 314 S C 0.905 175.574 174.600 0.116 0.000 1.014 314 S CA 1.452 59.729 58.200 0.129 0.000 0.950 314 S CB -0.164 63.117 63.200 0.136 0.000 0.784 314 S HN 1.830 nan 8.310 nan 0.000 0.504 315 H N -1.954 116.936 119.070 -0.298 0.000 2.849 315 H HA 0.517 5.073 4.556 -0.000 0.000 0.271 315 H C -2.090 172.955 175.328 -0.472 0.000 1.461 315 H CA -0.919 54.678 56.048 -0.752 0.000 1.146 315 H CB 0.760 29.977 29.762 -0.908 0.000 1.834 315 H HN -0.016 nan 8.280 nan 0.000 0.555 316 V N 1.926 121.581 119.914 -0.433 0.000 2.370 316 V HA 0.211 4.330 4.120 -0.000 0.000 0.283 316 V C 0.087 175.942 176.094 -0.398 0.000 1.023 316 V CA -0.360 61.684 62.300 -0.426 0.000 0.857 316 V CB 0.566 32.093 31.823 -0.494 0.000 0.985 316 V HN 0.752 nan 8.190 nan 0.000 0.443 317 H N 4.783 123.566 119.070 -0.478 0.000 2.544 317 H HA 0.352 4.907 4.556 -0.000 0.000 0.365 317 H C 1.034 176.400 175.328 0.063 0.000 1.268 317 H CA 0.407 56.329 56.048 -0.211 0.000 1.400 317 H CB 0.562 30.255 29.762 -0.116 0.000 1.538 317 H HN 0.707 nan 8.280 nan 0.000 0.597 318 N N 0.038 118.619 118.700 -0.198 0.000 2.735 318 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 318 N C -1.111 174.557 175.510 0.263 0.000 1.083 318 N CA 1.077 54.181 53.050 0.089 0.000 0.703 318 N CB -1.502 37.131 38.487 0.244 0.000 1.005 318 N HN 0.339 nan 8.380 nan 0.000 0.550 319 V N -1.442 118.636 119.914 0.274 0.000 2.304 319 V HA 0.387 4.507 4.120 -0.000 0.000 0.278 319 V C 0.148 176.427 176.094 0.307 0.000 1.018 319 V CA -1.210 61.279 62.300 0.315 0.000 0.814 319 V CB 1.161 33.093 31.823 0.181 0.000 1.021 319 V HN 0.177 nan 8.190 nan 0.000 0.440 320 Y N 6.108 126.494 120.300 0.144 0.000 2.650 320 Y HA 0.234 4.784 4.550 -0.000 0.000 0.331 320 Y C 1.181 176.889 175.900 -0.321 0.000 1.165 320 Y CA 0.446 58.452 58.100 -0.156 0.000 1.473 320 Y CB 0.348 38.809 38.460 0.002 0.000 1.224 320 Y HN 0.942 nan 8.280 nan 0.000 0.533 321 Q N 5.312 124.083 119.800 -1.716 0.000 2.452 321 Q HA -0.318 4.022 4.340 -0.000 0.000 0.248 321 Q C 0.156 176.012 176.000 -0.240 0.000 0.874 321 Q CA 1.495 56.665 55.803 -1.055 0.000 1.208 321 Q CB -2.095 26.276 28.738 -0.612 0.000 1.569 321 Q HN 1.148 nan 8.270 nan 0.000 0.579 322 H N -3.478 115.591 119.070 -0.002 0.000 3.109 322 H HA -0.205 4.351 4.556 -0.000 0.000 0.245 322 H C 1.040 176.406 175.328 0.064 0.000 1.187 322 H CA 1.523 57.667 56.048 0.160 0.000 1.136 322 H CB -1.570 28.265 29.762 0.121 0.000 1.243 322 H HN 0.482 nan 8.280 nan 0.000 0.328 323 I N -1.387 119.246 120.570 0.105 0.000 3.664 323 I HA 0.082 4.252 4.170 -0.000 0.000 0.251 323 I C 0.419 176.485 176.117 -0.085 0.000 1.134 323 I CA 0.071 61.321 61.300 -0.082 0.000 1.520 323 I CB 0.215 37.981 38.000 -0.389 0.000 1.638 323 I HN -0.149 nan 8.210 nan 0.000 0.431 324 F N 1.361 121.425 119.950 0.189 0.000 2.438 324 F HA 0.176 4.703 4.527 -0.000 0.000 0.356 324 F C -0.013 176.005 175.800 0.364 0.000 1.099 324 F CA -0.476 57.681 58.000 0.261 0.000 1.185 324 F CB -0.065 39.069 39.000 0.224 0.000 1.115 324 F HN 0.009 nan 8.300 nan 0.000 0.526 325 Y N 4.963 125.519 120.300 0.427 0.000 2.637 325 Y HA 0.134 4.684 4.550 -0.000 0.000 0.350 325 Y C 1.158 177.251 175.900 0.322 0.000 1.069 325 Y CA -0.792 57.526 58.100 0.362 0.000 1.397 325 Y CB -0.140 38.542 38.460 0.371 0.000 1.163 325 Y HN 0.653 nan 8.280 nan 0.000 0.527 326 I N 7.422 128.044 120.570 0.086 0.000 2.143 326 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 326 I C -0.568 175.449 176.117 -0.166 0.000 1.068 326 I CA 1.579 62.867 61.300 -0.020 0.000 1.326 326 I CB -1.366 36.641 38.000 0.011 0.000 1.028 326 I HN 0.517 nan 8.210 nan 0.000 0.412 327 P HA -0.130 nan 4.420 nan 0.000 0.216 327 P C 0.274 177.512 177.300 -0.103 0.000 1.153 327 P CA 1.501 64.411 63.100 -0.317 0.000 0.848 327 P CB 0.057 31.466 31.700 -0.484 0.000 0.787 328 D N -2.057 118.340 120.400 -0.004 0.000 2.358 328 D HA 0.119 4.759 4.640 -0.000 0.000 0.253 328 D C -2.069 174.511 176.300 0.467 0.000 1.288 328 D CA -2.258 51.928 54.000 0.310 0.000 0.950 328 D CB 1.042 42.148 40.800 0.509 0.000 1.197 328 D HN -0.011 nan 8.370 nan 0.000 0.550 329 P HA -0.088 nan 4.420 nan 0.000 0.231 329 P C 1.009 178.724 177.300 0.692 0.000 1.158 329 P CA 0.703 64.120 63.100 0.528 0.000 0.763 329 P CB -0.163 31.751 31.700 0.358 0.000 0.805 330 T N -3.266 111.613 114.554 0.541 0.000 3.163 330 T HA 0.080 4.430 4.350 -0.000 0.000 0.260 330 T C 0.577 175.453 174.700 0.294 0.000 1.156 330 T CA -0.097 62.233 62.100 0.383 0.000 1.072 330 T CB -0.553 68.511 68.868 0.326 0.000 0.937 330 T HN -0.038 nan 8.240 nan 0.000 0.528 331 L N 1.468 122.916 121.223 0.374 0.000 2.325 331 L HA 0.814 5.154 4.340 -0.000 0.000 0.281 331 L C -0.624 176.353 176.870 0.179 0.000 1.004 331 L CA -1.012 53.809 54.840 -0.031 0.000 0.823 331 L CB 1.233 43.192 42.059 -0.166 0.000 1.236 331 L HN 0.238 nan 8.230 nan 0.000 0.415 332 A N 4.109 126.914 122.820 -0.024 0.000 2.527 332 A HA 0.865 5.185 4.320 -0.000 0.000 0.293 332 A C -1.662 175.725 177.584 -0.328 0.000 1.117 332 A CA -0.464 51.502 52.037 -0.119 0.000 0.723 332 A CB 1.044 19.766 19.000 -0.464 0.000 1.313 332 A HN 0.546 nan 8.150 nan 0.000 0.411 333 F N 0.057 119.889 119.950 -0.197 0.000 2.551 333 F HA 0.641 5.167 4.527 -0.000 0.000 0.316 333 F C -0.205 175.508 175.800 -0.145 0.000 1.089 333 F CA -0.765 57.155 58.000 -0.134 0.000 0.915 333 F CB 2.666 41.625 39.000 -0.069 0.000 1.186 333 F HN 0.323 nan 8.300 nan 0.000 0.456 334 V N 1.329 121.288 119.914 0.074 0.000 2.638 334 V HA 0.703 4.823 4.120 -0.000 0.000 0.306 334 V C 0.246 176.400 176.094 0.100 0.000 1.052 334 V CA -0.409 61.917 62.300 0.044 0.000 0.885 334 V CB 1.294 33.104 31.823 -0.022 0.000 0.999 334 V HN 1.012 nan 8.190 nan 0.000 0.424 335 G N 3.438 112.309 108.800 0.119 0.000 2.163 335 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.213 335 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.213 335 G C 0.471 175.487 174.900 0.194 0.000 0.991 335 G CA 0.222 45.414 45.100 0.154 0.000 0.653 335 G HN 0.631 nan 8.290 nan 0.000 0.518 336 L N 0.648 121.917 121.223 0.077 0.000 2.376 336 L HA 0.346 4.686 4.340 -0.000 0.000 0.219 336 L C 2.176 178.943 176.870 -0.171 0.000 1.133 336 L CA 0.593 55.374 54.840 -0.097 0.000 0.816 336 L CB -0.410 41.362 42.059 -0.479 0.000 0.933 336 L HN 0.531 nan 8.230 nan 0.000 0.449 337 A N 0.911 123.690 122.820 -0.067 0.000 2.587 337 A HA 0.152 4.472 4.320 -0.000 0.000 0.235 337 A C -0.383 177.227 177.584 0.042 0.000 1.044 337 A CA 0.160 52.152 52.037 -0.075 0.000 0.754 337 A CB 0.001 18.981 19.000 -0.033 0.000 0.968 337 A HN 0.134 nan 8.150 nan 0.000 0.509 338 L N 1.859 123.083 121.223 0.002 0.000 2.334 338 L HA 0.512 4.852 4.340 -0.000 0.000 0.273 338 L C 0.522 177.405 176.870 0.021 0.000 1.013 338 L CA 0.030 54.855 54.840 -0.025 0.000 0.816 338 L CB 0.593 42.556 42.059 -0.159 0.000 1.278 338 L HN 0.958 nan 8.230 nan 0.000 0.431 339 H N 1.018 120.242 119.070 0.258 0.000 2.756 339 H HA -0.084 4.472 4.556 -0.000 0.000 0.315 339 H C -0.355 175.121 175.328 0.247 0.000 1.210 339 H CA 0.635 56.839 56.048 0.259 0.000 1.150 339 H CB -1.378 28.511 29.762 0.213 0.000 1.463 339 H HN 0.418 nan 8.280 nan 0.000 0.427 340 V N -4.318 115.786 119.914 0.318 0.000 3.119 340 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 340 V C 0.287 176.531 176.094 0.250 0.000 1.259 340 V CA -0.967 61.493 62.300 0.268 0.000 1.067 340 V CB 2.323 34.257 31.823 0.184 0.000 1.123 340 V HN -0.023 nan 8.190 nan 0.000 0.463 341 V N 1.827 121.888 119.914 0.245 0.000 2.304 341 V HA 0.319 4.439 4.120 -0.000 0.000 0.269 341 V C -1.444 174.748 176.094 0.164 0.000 1.036 341 V CA -1.170 61.240 62.300 0.184 0.000 0.840 341 V CB 0.282 32.276 31.823 0.286 0.000 1.036 341 V HN 0.859 nan 8.190 nan 0.000 0.466 342 P HA -0.220 nan 4.420 nan 0.000 0.212 342 P C 1.559 179.085 177.300 0.377 0.000 1.128 342 P CA 1.812 65.080 63.100 0.281 0.000 0.961 342 P CB -0.043 31.868 31.700 0.352 0.000 0.782 343 F N -1.291 118.649 119.950 -0.017 0.000 2.043 343 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 343 F C -0.248 175.565 175.800 0.023 0.000 1.121 343 F CA 1.528 59.434 58.000 -0.157 0.000 1.199 343 F CB -3.135 35.469 39.000 -0.661 0.000 0.968 343 F HN 0.128 nan 8.300 nan 0.000 0.478 344 P HA -0.091 nan 4.420 nan 0.000 0.215 344 P C 1.714 179.081 177.300 0.112 0.000 1.157 344 P CA 2.275 65.482 63.100 0.179 0.000 0.863 344 P CB -0.284 31.525 31.700 0.181 0.000 0.787 345 T N -0.913 113.700 114.554 0.098 0.000 2.708 345 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 345 T C 1.989 176.789 174.700 0.168 0.000 1.037 345 T CA 1.750 63.906 62.100 0.094 0.000 1.146 345 T CB -0.991 67.947 68.868 0.116 0.000 0.865 345 T HN 0.075 nan 8.240 nan 0.000 0.435 346 S N 1.009 116.835 115.700 0.211 0.000 2.402 346 S HA -0.128 4.341 4.470 -0.000 0.000 0.229 346 S C 2.140 176.870 174.600 0.217 0.000 1.021 346 S CA 0.984 59.309 58.200 0.208 0.000 0.974 346 S CB -0.292 63.045 63.200 0.228 0.000 0.800 346 S HN 0.553 nan 8.310 nan 0.000 0.484 347 Q N 1.029 120.996 119.800 0.279 0.000 2.079 347 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 347 Q C 2.206 178.361 176.000 0.257 0.000 0.974 347 Q CA 1.262 57.256 55.803 0.319 0.000 0.840 347 Q CB -0.346 28.622 28.738 0.383 0.000 0.898 347 Q HN 0.537 nan 8.270 nan 0.000 0.430 348 A N 0.588 123.504 122.820 0.160 0.000 1.978 348 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 348 A C 1.918 179.565 177.584 0.105 0.000 1.170 348 A CA 1.704 53.791 52.037 0.082 0.000 0.636 348 A CB -0.464 18.502 19.000 -0.058 0.000 0.810 348 A HN 0.557 nan 8.150 nan 0.000 0.448 349 Q N -0.835 119.045 119.800 0.134 0.000 2.096 349 Q HA 0.028 4.368 4.340 -0.000 0.000 0.197 349 Q C 2.507 178.567 176.000 0.099 0.000 0.964 349 Q CA 1.017 56.907 55.803 0.145 0.000 0.838 349 Q CB -0.371 28.450 28.738 0.139 0.000 0.906 349 Q HN 0.652 nan 8.270 nan 0.000 0.444 350 A N 1.661 124.528 122.820 0.078 0.000 1.873 350 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 350 A C 2.368 179.964 177.584 0.020 0.000 1.193 350 A CA 1.962 53.994 52.037 -0.009 0.000 0.629 350 A CB -1.066 17.939 19.000 0.008 0.000 0.826 350 A HN 0.411 nan 8.150 nan 0.000 0.447 351 A N -1.468 121.477 122.820 0.209 0.000 1.917 351 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 351 A C 2.077 179.816 177.584 0.258 0.000 1.182 351 A CA 1.924 54.141 52.037 0.299 0.000 0.633 351 A CB -0.703 18.554 19.000 0.428 0.000 0.819 351 A HN 0.755 nan 8.150 nan 0.000 0.448 352 F N 0.080 120.084 119.950 0.091 0.000 2.163 352 F HA -0.030 4.497 4.527 -0.000 0.000 0.297 352 F C 1.798 177.663 175.800 0.108 0.000 1.094 352 F CA 1.226 59.301 58.000 0.125 0.000 1.290 352 F CB -0.534 38.560 39.000 0.158 0.000 1.017 352 F HN 0.196 nan 8.300 nan 0.000 0.483 353 L N 1.176 122.331 121.223 -0.113 0.000 2.042 353 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 353 L C 2.385 179.058 176.870 -0.328 0.000 1.076 353 L CA 2.283 56.855 54.840 -0.446 0.000 0.749 353 L CB -1.573 40.093 42.059 -0.656 0.000 0.893 353 L HN 0.153 nan 8.230 nan 0.000 0.432 354 A N -0.425 122.322 122.820 -0.122 0.000 1.902 354 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 354 A C 2.437 180.124 177.584 0.173 0.000 1.181 354 A CA 1.877 53.961 52.037 0.079 0.000 0.623 354 A CB -0.543 18.474 19.000 0.027 0.000 0.818 354 A HN 0.527 nan 8.150 nan 0.000 0.443 355 R N -0.936 119.617 120.500 0.089 0.000 2.115 355 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 355 R C 1.940 178.273 176.300 0.055 0.000 1.100 355 R CA 1.159 57.312 56.100 0.089 0.000 0.980 355 R CB -0.310 30.062 30.300 0.120 0.000 0.875 355 R HN 0.396 nan 8.270 nan 0.000 0.445 356 V N -0.734 119.156 119.914 -0.041 0.000 2.323 356 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 356 V C 1.727 177.948 176.094 0.212 0.000 1.041 356 V CA 1.260 63.521 62.300 -0.065 0.000 1.025 356 V CB -0.397 31.238 31.823 -0.315 0.000 0.656 356 V HN 0.419 nan 8.190 nan 0.000 0.451 357 W N 0.903 122.280 121.300 0.129 0.000 2.425 357 W HA -0.081 4.579 4.660 -0.000 0.000 0.277 357 W C 2.789 179.506 176.519 0.330 0.000 1.231 357 W CA 1.446 58.924 57.345 0.222 0.000 1.248 357 W CB -1.032 28.539 29.460 0.185 0.000 1.117 357 W HN 0.498 nan 8.180 nan 0.000 0.568 358 S N -1.351 114.622 115.700 0.456 0.000 2.528 358 S HA 0.322 4.792 4.470 -0.000 0.000 0.219 358 S C 1.748 176.376 174.600 0.045 0.000 0.985 358 S CA 0.763 59.011 58.200 0.080 0.000 0.914 358 S CB 0.091 63.178 63.200 -0.189 0.000 0.776 358 S HN 0.376 nan 8.310 nan 0.000 0.526 359 G N 1.772 110.632 108.800 0.099 0.000 2.194 359 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.236 359 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.236 359 G C 0.909 175.820 174.900 0.019 0.000 0.987 359 G CA 0.144 45.273 45.100 0.048 0.000 0.635 359 G HN 0.506 nan 8.290 nan 0.000 0.520 360 R N -0.537 119.975 120.500 0.020 0.000 2.237 360 R HA 0.339 4.679 4.340 -0.000 0.000 0.219 360 R C 0.803 177.114 176.300 0.019 0.000 1.080 360 R CA 0.757 56.866 56.100 0.014 0.000 0.995 360 R CB 0.048 30.360 30.300 0.020 0.000 0.875 360 R HN 0.422 nan 8.270 nan 0.000 0.462 361 L N 0.608 121.839 121.223 0.013 0.000 2.422 361 L HA 0.426 4.766 4.340 -0.000 0.000 0.264 361 L C -0.750 176.087 176.870 -0.055 0.000 0.984 361 L CA -1.102 53.736 54.840 -0.003 0.000 0.819 361 L CB 2.181 44.272 42.059 0.052 0.000 1.330 361 L HN -0.168 nan 8.230 nan 0.000 0.410 362 K N 3.182 123.532 120.400 -0.082 0.000 2.207 362 K HA 0.608 4.927 4.320 -0.000 0.000 0.255 362 K C -0.706 175.790 176.600 -0.173 0.000 0.941 362 K CA -0.687 55.532 56.287 -0.114 0.000 0.825 362 K CB 2.562 35.010 32.500 -0.088 0.000 1.119 362 K HN 0.454 nan 8.250 nan 0.000 0.430 363 L N 3.685 124.778 121.223 -0.217 0.000 2.439 363 L HA 0.299 4.639 4.340 -0.000 0.000 0.261 363 L C -1.414 175.322 176.870 -0.223 0.000 1.153 363 L CA -1.644 53.040 54.840 -0.260 0.000 0.808 363 L CB 0.431 42.271 42.059 -0.365 0.000 1.126 363 L HN 0.417 nan 8.230 nan 0.000 0.460 364 P HA 0.094 nan 4.420 nan 0.000 0.274 364 P C -0.537 176.629 177.300 -0.223 0.000 1.256 364 P CA -0.500 62.472 63.100 -0.213 0.000 0.795 364 P CB 0.670 32.250 31.700 -0.199 0.000 1.038 365 S N -0.056 115.551 115.700 -0.154 0.000 2.553 365 S HA -0.087 4.383 4.470 -0.000 0.000 0.271 365 S C 1.289 175.792 174.600 -0.162 0.000 1.362 365 S CA 0.126 58.249 58.200 -0.128 0.000 1.010 365 S CB 0.303 63.453 63.200 -0.083 0.000 0.865 365 S HN 0.628 nan 8.310 nan 0.000 0.543 366 K N 1.015 121.343 120.400 -0.120 0.000 2.148 366 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 366 K C 2.242 178.791 176.600 -0.086 0.000 1.050 366 K CA 1.595 57.814 56.287 -0.113 0.000 0.942 366 K CB -0.300 32.157 32.500 -0.071 0.000 0.724 366 K HN 0.903 nan 8.250 nan 0.000 0.446 367 E N 0.260 120.424 120.200 -0.060 0.000 2.106 367 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 367 E C 1.830 178.416 176.600 -0.023 0.000 0.984 367 E CA 1.195 57.578 56.400 -0.030 0.000 0.806 367 E CB -0.145 29.543 29.700 -0.020 0.000 0.750 367 E HN 0.391 nan 8.360 nan 0.000 0.458 368 E N 0.467 120.636 120.200 -0.051 0.000 2.204 368 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 368 E C 2.158 178.743 176.600 -0.025 0.000 0.989 368 E CA 0.988 57.372 56.400 -0.026 0.000 0.824 368 E CB 0.122 29.793 29.700 -0.049 0.000 0.756 368 E HN 0.426 nan 8.360 nan 0.000 0.477 369 Q N -0.131 119.568 119.800 -0.168 0.000 2.083 369 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 369 Q C 2.316 178.400 176.000 0.140 0.000 0.969 369 Q CA 0.861 56.514 55.803 -0.250 0.000 0.838 369 Q CB 0.082 28.524 28.738 -0.494 0.000 0.900 369 Q HN 0.331 nan 8.270 nan 0.000 0.436 370 L N 0.702 121.971 121.223 0.078 0.000 2.141 370 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 370 L C 2.487 179.439 176.870 0.137 0.000 1.094 370 L CA 1.083 55.995 54.840 0.119 0.000 0.763 370 L CB -0.277 41.819 42.059 0.061 0.000 0.908 370 L HN 0.145 nan 8.230 nan 0.000 0.437 371 K N -0.432 120.039 120.400 0.118 0.000 2.097 371 K HA -0.250 4.070 4.320 -0.000 0.000 0.205 371 K C 2.090 178.773 176.600 0.138 0.000 1.050 371 K CA 1.516 57.861 56.287 0.098 0.000 0.938 371 K CB -0.264 32.282 32.500 0.076 0.000 0.718 371 K HN 0.305 nan 8.250 nan 0.000 0.442 372 W N 2.037 123.387 121.300 0.084 0.000 2.342 372 W HA -0.238 4.422 4.660 -0.000 0.000 0.297 372 W C 2.126 178.689 176.519 0.074 0.000 1.213 372 W CA 1.946 59.371 57.345 0.134 0.000 1.251 372 W CB -0.071 29.581 29.460 0.320 0.000 1.136 372 W HN 0.213 nan 8.180 nan 0.000 0.526 373 Q N 0.026 119.945 119.800 0.199 0.000 2.083 373 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 373 Q C 1.843 177.755 176.000 -0.147 0.000 0.969 373 Q CA 1.909 57.675 55.803 -0.060 0.000 0.838 373 Q CB -0.411 28.458 28.738 0.218 0.000 0.900 373 Q HN 0.152 nan 8.270 nan 0.000 0.436 374 D N 0.797 121.179 120.400 -0.029 0.000 2.092 374 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 374 D C 1.696 177.964 176.300 -0.054 0.000 0.994 374 D CA 1.531 55.524 54.000 -0.011 0.000 0.828 374 D CB -0.115 40.688 40.800 0.005 0.000 0.963 374 D HN 0.437 nan 8.370 nan 0.000 0.450 375 E N 0.146 120.277 120.200 -0.115 0.000 2.118 375 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 375 E C 1.166 177.653 176.600 -0.187 0.000 0.992 375 E CA 0.055 56.392 56.400 -0.105 0.000 0.804 375 E CB -0.034 29.585 29.700 -0.136 0.000 0.741 375 E HN 0.117 nan 8.360 nan 0.000 0.458 379 S N 1.903 117.472 115.700 -0.219 0.000 2.419 379 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 379 S C 1.794 176.228 174.600 -0.277 0.000 1.016 379 S CA 1.531 59.552 58.200 -0.298 0.000 0.974 379 S CB -0.810 62.287 63.200 -0.172 0.000 0.786 379 S HN 0.514 nan 8.310 nan 0.000 0.492 380 L N 0.976 122.061 121.223 -0.231 0.000 2.291 380 L HA 0.071 4.410 4.340 -0.000 0.000 0.214 380 L C 0.995 177.763 176.870 -0.171 0.000 1.120 380 L CA 0.455 55.187 54.840 -0.180 0.000 0.799 380 L CB -0.878 41.089 42.059 -0.154 0.000 0.925 380 L HN 0.274 nan 8.230 nan 0.000 0.446 381 S N 0.234 115.799 115.700 -0.225 0.000 3.614 381 S HA -0.218 4.252 4.470 -0.000 0.000 0.360 381 S C 1.260 175.795 174.600 -0.110 0.000 1.023 381 S CA 0.642 58.723 58.200 -0.198 0.000 1.114 381 S CB -1.555 61.523 63.200 -0.204 0.000 0.907 381 S HN 0.861 nan 8.310 nan 0.000 0.470 382 G N -0.222 108.529 108.800 -0.082 0.000 2.268 382 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.240 382 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.240 382 G C 0.237 175.110 174.900 -0.046 0.000 1.010 382 G CA 0.215 45.286 45.100 -0.048 0.000 0.618 382 G HN 1.997 nan 8.290 nan 0.000 0.516 383 A N 0.918 123.703 122.820 -0.058 0.000 2.915 383 A HA 0.575 4.895 4.320 -0.000 0.000 0.292 383 A C 1.335 178.882 177.584 -0.061 0.000 1.632 383 A CA 0.520 52.530 52.037 -0.046 0.000 1.337 383 A CB -0.281 18.695 19.000 -0.040 0.000 1.111 383 A HN 0.329 nan 8.150 nan 0.000 0.569 384 N N 1.631 120.292 118.700 -0.066 0.000 2.459 384 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 384 N C 0.785 176.219 175.510 -0.127 0.000 1.046 384 N CA 0.543 53.508 53.050 -0.141 0.000 0.904 384 N CB -0.099 38.313 38.487 -0.126 0.000 0.964 384 N HN 0.880 nan 8.380 nan 0.000 0.444 388 H N 0.476 119.648 119.070 0.169 0.000 2.539 388 H HA 0.280 4.836 4.556 -0.000 0.000 0.267 388 H C 0.584 175.780 175.328 -0.221 0.000 0.982 388 H CA 0.854 56.834 56.048 -0.114 0.000 1.146 388 H CB 0.347 30.011 29.762 -0.162 0.000 1.382 388 H HN 0.003 nan 8.280 nan 0.000 0.577 389 S N 0.927 116.627 115.700 -0.001 0.000 2.516 389 S HA 0.161 4.631 4.470 -0.000 0.000 0.282 389 S C 0.785 175.400 174.600 0.026 0.000 1.286 389 S CA -0.406 57.825 58.200 0.052 0.000 1.066 389 S CB 0.038 63.352 63.200 0.190 0.000 0.884 389 S HN 0.337 nan 8.310 nan 0.000 0.491 390 L N 3.734 124.989 121.223 0.052 0.000 3.255 390 L HA 0.311 4.651 4.340 -0.000 0.000 0.293 390 L C 0.049 177.001 176.870 0.137 0.000 1.302 390 L CA -0.495 54.361 54.840 0.027 0.000 0.977 390 L CB 0.395 42.399 42.059 -0.092 0.000 1.390 390 L HN 0.537 nan 8.230 nan 0.000 0.588 391 D N 0.815 121.334 120.400 0.198 0.000 2.525 391 D HA -0.155 4.485 4.640 -0.000 0.000 0.235 391 D C 0.009 176.434 176.300 0.208 0.000 1.137 391 D CA 0.385 54.522 54.000 0.228 0.000 0.868 391 D CB 0.498 41.387 40.800 0.149 0.000 1.180 391 D HN 0.067 nan 8.370 nan 0.000 0.465 392 Y N 4.794 125.191 120.300 0.161 0.000 2.987 392 Y HA -0.037 4.513 4.550 -0.000 0.000 0.339 392 Y C -1.052 174.907 175.900 0.097 0.000 1.272 392 Y CA -0.795 57.392 58.100 0.146 0.000 1.562 392 Y CB 0.633 39.185 38.460 0.154 0.000 1.253 392 Y HN 0.395 nan 8.280 nan 0.000 0.604 393 P HA -0.029 nan 4.420 nan 0.000 0.245 393 P C 0.473 177.601 177.300 -0.288 0.000 1.212 393 P CA 0.863 63.346 63.100 -1.027 0.000 0.774 393 P CB 0.282 31.433 31.700 -0.916 0.000 0.999 394 K N 1.124 121.459 120.400 -0.108 0.000 2.044 394 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 394 K C 1.893 178.529 176.600 0.061 0.000 1.049 394 K CA 2.049 58.332 56.287 -0.007 0.000 0.927 394 K CB -0.471 32.037 32.500 0.014 0.000 0.713 394 K HN 0.334 nan 8.250 nan 0.000 0.443 395 D N 0.871 121.340 120.400 0.114 0.000 2.117 395 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 395 D C 1.844 178.183 176.300 0.065 0.000 0.987 395 D CA 1.541 55.617 54.000 0.126 0.000 0.829 395 D CB -0.405 40.504 40.800 0.182 0.000 0.961 395 D HN 0.154 nan 8.370 nan 0.000 0.460 396 A N 0.632 123.576 122.820 0.207 0.000 1.902 396 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 396 A C 2.459 180.034 177.584 -0.015 0.000 1.181 396 A CA 2.473 54.637 52.037 0.212 0.000 0.623 396 A CB -1.132 18.193 19.000 0.542 0.000 0.818 396 A HN 0.350 nan 8.150 nan 0.000 0.443 397 T N -1.775 112.772 114.554 -0.013 0.000 2.821 397 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 397 T C 1.781 176.431 174.700 -0.082 0.000 1.046 397 T CA 1.534 63.599 62.100 -0.058 0.000 1.139 397 T CB -0.385 68.460 68.868 -0.038 0.000 0.871 397 T HN 0.562 nan 8.240 nan 0.000 0.454 398 Y N 2.566 122.772 120.300 -0.156 0.000 2.114 398 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 398 Y C 2.105 177.847 175.900 -0.263 0.000 1.143 398 Y CA 1.329 59.316 58.100 -0.187 0.000 1.135 398 Y CB -0.574 37.826 38.460 -0.101 0.000 0.980 398 Y HN 0.290 nan 8.280 nan 0.000 0.499 399 I N -0.357 120.033 120.570 -0.299 0.000 2.394 399 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 399 I C 1.642 177.540 176.117 -0.365 0.000 1.136 399 I CA 1.832 62.875 61.300 -0.428 0.000 1.425 399 I CB -0.837 36.853 38.000 -0.517 0.000 1.079 399 I HN 0.072 nan 8.210 nan 0.000 0.425 400 N N 1.414 119.911 118.700 -0.339 0.000 2.331 400 N HA -0.152 4.588 4.740 -0.000 0.000 0.180 400 N C 1.747 177.159 175.510 -0.163 0.000 1.019 400 N CA 1.248 54.155 53.050 -0.239 0.000 0.881 400 N CB -0.336 37.942 38.487 -0.348 0.000 0.972 400 N HN 0.604 nan 8.380 nan 0.000 0.435 401 K N 0.417 120.589 120.400 -0.380 0.000 2.062 401 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 401 K C 1.528 177.567 176.600 -0.935 0.000 1.051 401 K CA 0.678 56.579 56.287 -0.645 0.000 0.941 401 K CB 0.031 32.072 32.500 -0.764 0.000 0.719 401 K HN -0.078 nan 8.250 nan 0.000 0.440 402 L N 1.171 121.896 121.223 -0.830 0.000 2.141 402 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 402 L C 2.528 179.255 176.870 -0.237 0.000 1.094 402 L CA 1.585 56.011 54.840 -0.690 0.000 0.763 402 L CB -0.901 40.781 42.059 -0.627 0.000 0.908 402 L HN 0.414 nan 8.230 nan 0.000 0.437 403 H N -0.284 118.665 119.070 -0.202 0.000 2.357 403 H HA -0.137 4.419 4.556 -0.000 0.000 0.301 403 H C 1.262 176.607 175.328 0.029 0.000 1.082 403 H CA 1.781 57.824 56.048 -0.009 0.000 1.342 403 H CB 0.255 30.091 29.762 0.124 0.000 1.389 403 H HN 0.296 nan 8.280 nan 0.000 0.511 404 D N -0.240 120.234 120.400 0.123 0.000 2.224 404 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 404 D C 2.079 178.468 176.300 0.148 0.000 0.965 404 D CA 0.348 54.416 54.000 0.114 0.000 0.852 404 D CB -0.413 40.470 40.800 0.138 0.000 0.947 404 D HN 0.420 nan 8.370 nan 0.000 0.494 405 W N 0.969 122.217 121.300 -0.085 0.000 2.379 405 W HA -0.084 4.576 4.660 -0.000 0.000 0.307 405 W C 2.503 179.018 176.519 -0.006 0.000 1.200 405 W CA -0.237 57.064 57.345 -0.074 0.000 1.297 405 W CB -1.382 27.943 29.460 -0.224 0.000 1.140 405 W HN 0.052 nan 8.180 nan 0.000 0.507 406 C N 0.538 119.978 119.300 0.233 0.000 2.401 406 C HA -0.195 4.265 4.460 -0.000 0.000 0.276 406 C C 2.543 177.572 174.990 0.065 0.000 1.233 406 C CA 0.807 59.928 59.018 0.172 0.000 1.753 406 C CB -1.046 26.767 27.740 0.121 0.000 2.029 406 C HN 0.227 nan 8.230 nan 0.000 0.478 407 K N 0.540 120.922 120.400 -0.030 0.000 2.286 407 K HA -0.149 4.171 4.320 -0.000 0.000 0.203 407 K C 1.825 178.435 176.600 0.016 0.000 1.045 407 K CA 1.221 57.477 56.287 -0.051 0.000 0.935 407 K CB -0.378 32.062 32.500 -0.100 0.000 0.737 407 K HN 0.577 nan 8.250 nan 0.000 0.460 408 Q N -0.305 119.530 119.800 0.057 0.000 2.425 408 Q HA 0.139 4.479 4.340 -0.000 0.000 0.204 408 Q C 0.317 176.343 176.000 0.044 0.000 0.933 408 Q CA -0.012 55.822 55.803 0.052 0.000 0.939 408 Q CB 0.084 28.858 28.738 0.061 0.000 1.044 408 Q HN 0.181 nan 8.270 nan 0.000 0.513 409 A N 1.761 124.616 122.820 0.058 0.000 2.531 409 A HA 0.303 4.623 4.320 -0.000 0.000 0.236 409 A C 0.441 178.042 177.584 0.029 0.000 1.062 409 A CA 0.524 52.592 52.037 0.052 0.000 0.760 409 A CB 0.079 19.121 19.000 0.071 0.000 0.995 409 A HN 0.261 nan 8.150 nan 0.000 0.501 410 T N 0.646 115.211 114.554 0.019 0.000 2.916 410 T HA 0.750 5.100 4.350 -0.000 0.000 0.305 410 T C -2.942 171.759 174.700 0.001 0.000 1.119 410 T CA -1.417 60.688 62.100 0.008 0.000 1.008 410 T CB 1.973 70.844 68.868 0.004 0.000 1.129 410 T HN 0.542 nan 8.240 nan 0.000 0.480 411 P HA 0.373 nan 4.420 nan 0.000 0.276 411 P C -0.364 176.938 177.300 0.002 0.000 1.261 411 P CA -0.484 62.615 63.100 -0.002 0.000 0.800 411 P CB 0.641 32.337 31.700 -0.007 0.000 1.066 412 V N 1.336 121.252 119.914 0.004 0.000 2.614 412 V HA 0.083 4.203 4.120 -0.000 0.000 0.291 412 V C 0.825 176.922 176.094 0.006 0.000 1.049 412 V CA -0.091 62.214 62.300 0.008 0.000 1.038 412 V CB 0.137 31.964 31.823 0.007 0.000 0.980 412 V HN 0.303 nan 8.190 nan 0.000 0.481 413 L N 3.397 124.627 121.223 0.011 0.000 2.343 413 L HA 0.390 4.730 4.340 -0.000 0.000 0.275 413 L C 1.539 178.417 176.870 0.013 0.000 1.056 413 L CA -0.279 54.567 54.840 0.010 0.000 0.804 413 L CB 1.251 43.319 42.059 0.015 0.000 1.203 413 L HN 0.725 nan 8.230 nan 0.000 0.440 414 E N 1.121 121.326 120.200 0.009 0.000 2.160 414 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 414 E C -0.159 176.451 176.600 0.016 0.000 0.991 414 E CA 1.153 57.559 56.400 0.010 0.000 0.810 414 E CB 0.459 30.163 29.700 0.007 0.000 0.742 414 E HN 0.438 nan 8.360 nan 0.000 0.466 415 E N 1.323 121.538 120.200 0.024 0.000 2.235 415 E HA 0.180 4.530 4.350 -0.000 0.000 0.252 415 E C -1.231 175.402 176.600 0.055 0.000 0.886 415 E CA -0.275 56.145 56.400 0.035 0.000 0.767 415 E CB 1.538 31.259 29.700 0.036 0.000 1.205 415 E HN 0.115 nan 8.360 nan 0.000 0.421 416 E N 2.171 122.404 120.200 0.056 0.000 2.115 416 E HA 0.148 4.498 4.350 -0.000 0.000 0.282 416 E C -0.209 176.460 176.600 0.115 0.000 0.987 416 E CA -0.730 55.719 56.400 0.082 0.000 0.797 416 E CB 0.930 30.660 29.700 0.051 0.000 1.086 416 E HN 0.342 nan 8.360 nan 0.000 0.397 417 F N 6.607 126.569 119.950 0.020 0.000 2.590 417 F HA 0.073 4.600 4.527 -0.000 0.000 0.389 417 F C -1.692 174.135 175.800 0.044 0.000 1.049 417 F CA -1.404 56.613 58.000 0.028 0.000 1.199 417 F CB 0.468 39.484 39.000 0.027 0.000 1.058 417 F HN 0.216 nan 8.300 nan 0.000 0.556 418 P HA 0.091 nan 4.420 nan 0.000 0.271 418 P C -1.258 175.915 177.300 -0.212 0.000 1.218 418 P CA -0.352 62.593 63.100 -0.258 0.000 0.780 418 P CB 1.190 32.759 31.700 -0.219 0.000 0.901 419 S N 3.717 119.432 115.700 0.025 0.000 2.437 419 S HA 0.427 4.897 4.470 -0.000 0.000 0.305 419 S C -2.094 172.639 174.600 0.220 0.000 1.109 419 S CA -1.174 57.106 58.200 0.134 0.000 1.099 419 S CB 0.806 64.092 63.200 0.144 0.000 1.004 419 S HN 0.451 nan 8.310 nan 0.000 0.475 420 P HA 0.172 nan 4.420 nan 0.000 0.272 420 P C -1.311 176.064 177.300 0.126 0.000 1.230 420 P CA -0.229 62.950 63.100 0.131 0.000 0.788 420 P CB 0.424 32.169 31.700 0.075 0.000 0.949 421 Y N 0.650 120.930 120.300 -0.032 0.000 2.433 421 Y HA 0.427 4.977 4.550 -0.000 0.000 0.337 421 Y C -1.527 174.461 175.900 0.146 0.000 1.026 421 Y CA -0.762 57.239 58.100 -0.165 0.000 1.037 421 Y CB 1.280 39.432 38.460 -0.513 0.000 1.245 421 Y HN 0.292 nan 8.280 nan 0.000 0.443 422 W N 6.019 126.980 121.300 -0.565 0.000 2.283 422 W HA 0.579 5.238 4.660 -0.000 0.000 0.317 422 W C 0.402 176.690 176.519 -0.385 0.000 1.042 422 W CA -1.238 55.905 57.345 -0.336 0.000 1.348 422 W CB 1.126 30.456 29.460 -0.217 0.000 1.216 422 W HN 0.785 nan 8.180 nan 0.000 0.404 423 G N 1.154 109.999 108.800 0.075 0.000 2.563 423 G HA2 0.041 4.001 3.960 -0.000 0.000 0.283 423 G HA3 0.041 4.001 3.960 -0.000 0.000 0.283 423 G C 0.754 175.678 174.900 0.040 0.000 1.309 423 G CA -0.303 44.866 45.100 0.114 0.000 1.022 423 G HN 0.501 nan 8.290 nan 0.000 0.501 424 E N -0.673 119.558 120.200 0.052 0.000 2.114 424 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 424 E C 2.205 178.788 176.600 -0.027 0.000 1.008 424 E CA 1.810 58.224 56.400 0.024 0.000 0.810 424 E CB -0.036 29.682 29.700 0.030 0.000 0.739 424 E HN 0.529 nan 8.360 nan 0.000 0.456 425 K N 0.115 120.490 120.400 -0.041 0.000 2.002 425 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 425 K C 2.000 178.493 176.600 -0.178 0.000 1.048 425 K CA 1.810 58.043 56.287 -0.090 0.000 0.930 425 K CB 0.044 32.501 32.500 -0.072 0.000 0.714 425 K HN -0.007 nan 8.250 nan 0.000 0.438 426 E N 0.431 120.500 120.200 -0.218 0.000 2.031 426 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 426 E C 2.054 178.337 176.600 -0.529 0.000 0.994 426 E CA 1.395 57.520 56.400 -0.459 0.000 0.800 426 E CB -0.080 29.267 29.700 -0.589 0.000 0.752 426 E HN 0.237 nan 8.360 nan 0.000 0.447 427 R N 0.212 120.543 120.500 -0.283 0.000 2.103 427 R HA -0.168 4.172 4.340 -0.000 0.000 0.242 427 R C 2.564 178.647 176.300 -0.362 0.000 1.142 427 R CA 1.487 57.472 56.100 -0.191 0.000 0.960 427 R CB -0.636 29.737 30.300 0.121 0.000 0.858 427 R HN 0.139 nan 8.270 nan 0.000 0.439 428 S N 0.876 116.434 115.700 -0.236 0.000 2.359 428 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 428 S C 1.992 176.418 174.600 -0.290 0.000 1.035 428 S CA 1.217 59.289 58.200 -0.214 0.000 1.018 428 S CB -0.167 62.954 63.200 -0.132 0.000 0.876 428 S HN 0.245 nan 8.310 nan 0.000 0.448 429 I N 0.992 121.365 120.570 -0.328 0.000 2.226 429 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 429 I C 2.808 178.679 176.117 -0.410 0.000 1.100 429 I CA 1.532 62.628 61.300 -0.339 0.000 1.374 429 I CB -0.405 37.372 38.000 -0.371 0.000 1.057 429 I HN 0.287 nan 8.210 nan 0.000 0.413 430 R N 1.427 121.585 120.500 -0.570 0.000 2.120 430 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 430 R C 2.054 178.018 176.300 -0.560 0.000 1.123 430 R CA 1.698 57.454 56.100 -0.574 0.000 0.975 430 R CB -0.456 29.449 30.300 -0.657 0.000 0.866 430 R HN 0.438 nan 8.270 nan 0.000 0.446 431 E N -0.258 119.491 120.200 -0.751 0.000 2.072 431 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 431 E C -0.171 176.325 176.600 -0.174 0.000 0.982 431 E CA 0.628 56.688 56.400 -0.567 0.000 0.803 431 E CB 0.093 29.513 29.700 -0.467 0.000 0.755 431 E HN 0.364 nan 8.360 nan 0.000 0.453 435 S N 0.837 116.628 115.700 0.151 0.000 2.406 435 S HA -0.006 4.464 4.470 -0.000 0.000 0.224 435 S C 1.527 176.162 174.600 0.059 0.000 1.030 435 S CA 1.001 59.256 58.200 0.092 0.000 0.958 435 S CB -0.061 63.176 63.200 0.062 0.000 0.811 435 S HN 0.116 nan 8.310 nan 0.000 0.489 436 I N 1.601 122.199 120.570 0.047 0.000 2.286 436 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 436 I C 2.677 178.850 176.117 0.093 0.000 1.115 436 I CA 1.120 62.467 61.300 0.079 0.000 1.392 436 I CB -0.245 37.799 38.000 0.075 0.000 1.065 436 I HN 0.226 nan 8.210 nan 0.000 0.418 437 R N 1.479 121.940 120.500 -0.066 0.000 2.057 437 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 437 R C 2.442 178.688 176.300 -0.090 0.000 1.136 437 R CA 1.486 57.268 56.100 -0.531 0.000 0.952 437 R CB -0.323 29.613 30.300 -0.606 0.000 0.848 437 R HN 0.266 nan 8.270 nan 0.000 0.430 438 A N 1.690 124.537 122.820 0.046 0.000 1.917 438 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 438 A C 2.149 179.781 177.584 0.079 0.000 1.182 438 A CA 1.880 53.978 52.037 0.102 0.000 0.633 438 A CB -0.603 18.452 19.000 0.092 0.000 0.819 438 A HN 0.458 nan 8.150 nan 0.000 0.448 439 K N -1.872 118.560 120.400 0.053 0.000 2.155 439 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 439 K C 1.757 178.359 176.600 0.004 0.000 1.052 439 K CA 1.243 57.549 56.287 0.031 0.000 0.948 439 K CB -0.255 32.267 32.500 0.036 0.000 0.728 439 K HN 0.431 nan 8.250 nan 0.000 0.448 440 F N 0.312 120.159 119.950 -0.170 0.000 2.186 440 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 440 F C 1.008 176.553 175.800 -0.426 0.000 1.090 440 F CA 1.311 59.117 58.000 -0.322 0.000 1.307 440 F CB 0.061 38.780 39.000 -0.469 0.000 1.019 440 F HN -0.066 nan 8.300 nan 0.000 0.489 441 F N 0.355 120.286 119.950 -0.033 0.000 2.660 441 F HA 0.330 4.857 4.527 -0.000 0.000 0.302 441 F C 1.550 177.307 175.800 -0.072 0.000 1.103 441 F CA 0.272 58.228 58.000 -0.073 0.000 1.340 441 F CB -0.237 38.772 39.000 0.015 0.000 1.048 441 F HN 0.024 nan 8.300 nan 0.000 0.551 442 G N 2.657 111.480 108.800 0.038 0.000 2.371 442 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.299 442 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.299 442 G C 0.194 175.121 174.900 0.046 0.000 1.014 442 G CA 0.843 45.954 45.100 0.020 0.000 1.097 442 G HN 0.568 nan 8.290 nan 0.000 0.512 443 I N -4.789 115.820 120.570 0.065 0.000 3.941 443 I HA 0.994 5.164 4.170 -0.000 0.000 0.253 443 I C 0.980 177.111 176.117 0.024 0.000 1.212 443 I CA -0.226 61.099 61.300 0.042 0.000 1.245 443 I CB 0.509 38.538 38.000 0.048 0.000 1.413 443 I HN 1.383 nan 8.210 nan 0.000 0.491 444 E N 0.000 120.205 120.200 0.008 0.000 2.725 444 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 444 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 444 E CB 0.000 29.707 29.700 0.012 0.000 0.812 444 E HN 0.000 nan 8.360 nan 0.000 0.440