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 1osn_1_C DATA FIRST_RESID 9 DATA SEQUENCE KMGVLRIYLD GAYGIGKTTA AEEFLHHFAI TPNRILLIGE PLSYWRNLAG DATA SEQUENCE EDAICGIYGT QTRRLNGDVS PEDAQRLTAH FQSLFCSPHA IMHAKISALM DATA SEQUENCE DTXXXXXXXX XXXPYKIMLS DRHPIASTIC FPLSRYLVGD MSPAALPGLL DATA SEQUENCE FTLPAEPPGT NLVVCTVSLP SHLSRVSXXX XXXETVNLPF VMVLRNVYIM DATA SEQUENCE LINTIIFLKT NNWHAGWNTL SFCNDVFKQK LQKSECIKLR EVPGIEDTLF DATA SEQUENCE AVLKLPELCG EFGNILPLWA WGMETLSNCL RSMSPFVLSL EQTPQHAAQE DATA SEQUENCE LKTLLPQMTP ANMSSGAWNI LKELVNAVQD 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.603 176.600 0.005 0.000 0.988 9 K CA 0.000 56.295 56.287 0.014 0.000 0.838 9 K CB 0.000 32.509 32.500 0.015 0.000 1.064 10 M N 0.230 119.828 119.600 -0.003 0.000 2.314 10 M HA 0.570 5.051 4.480 0.002 0.000 0.342 10 M C 0.430 176.724 176.300 -0.010 0.000 1.171 10 M CA -0.414 54.870 55.300 -0.027 0.000 1.098 10 M CB 1.457 34.010 32.600 -0.079 0.000 1.559 10 M HN 0.271 nan 8.290 nan 0.000 0.459 11 G N 2.335 111.138 108.800 0.004 0.000 2.325 11 G HA2 0.543 4.504 3.960 0.002 0.000 0.298 11 G HA3 0.543 4.504 3.960 0.002 0.000 0.298 11 G C -0.224 174.692 174.900 0.028 0.000 1.134 11 G CA -0.719 44.403 45.100 0.036 0.000 0.876 11 G HN 0.911 nan 8.290 nan 0.000 0.452 12 V N 0.973 120.897 119.914 0.017 0.000 3.211 12 V HA 0.792 4.913 4.120 0.002 0.000 0.319 12 V C -0.459 175.619 176.094 -0.027 0.000 1.096 12 V CA -1.313 60.989 62.300 0.005 0.000 1.029 12 V CB 1.858 33.748 31.823 0.112 0.000 1.137 12 V HN 0.437 nan 8.190 nan 0.000 0.453 13 L N 2.055 123.257 121.223 -0.035 0.000 2.454 13 L HA 0.534 4.875 4.340 0.002 0.000 0.258 13 L C 0.183 177.035 176.870 -0.031 0.000 1.025 13 L CA -0.245 54.533 54.840 -0.104 0.000 0.901 13 L CB 0.913 42.813 42.059 -0.266 0.000 1.210 13 L HN 0.684 nan 8.230 nan 0.000 0.457 14 R N 5.045 125.538 120.500 -0.012 0.000 2.296 14 R HA 0.477 4.818 4.340 0.002 0.000 0.323 14 R C -0.841 175.391 176.300 -0.114 0.000 1.067 14 R CA 0.067 56.122 56.100 -0.075 0.000 0.946 14 R CB 0.472 30.777 30.300 0.009 0.000 0.991 14 R HN 0.500 nan 8.270 nan 0.000 0.448 15 I N 4.286 124.720 120.570 -0.226 0.000 2.439 15 I HA 0.221 4.392 4.170 0.002 0.000 0.285 15 I C -0.934 175.058 176.117 -0.209 0.000 1.021 15 I CA -0.892 60.334 61.300 -0.123 0.000 1.091 15 I CB 1.230 39.197 38.000 -0.055 0.000 1.242 15 I HN 0.410 nan 8.210 nan 0.000 0.439 16 Y N 6.143 126.531 120.300 0.146 0.000 2.335 16 Y HA 0.450 5.001 4.550 0.002 0.000 0.339 16 Y C -0.267 175.700 175.900 0.112 0.000 0.987 16 Y CA -0.766 57.430 58.100 0.160 0.000 1.140 16 Y CB 1.482 40.097 38.460 0.259 0.000 1.173 16 Y HN 0.384 nan 8.280 nan 0.000 0.486 17 L N 4.919 126.273 121.223 0.220 0.000 2.276 17 L HA 0.417 4.758 4.340 0.002 0.000 0.286 17 L C -0.469 176.465 176.870 0.107 0.000 1.024 17 L CA 0.109 55.018 54.840 0.115 0.000 0.826 17 L CB 0.062 42.157 42.059 0.059 0.000 1.211 17 L HN 0.706 nan 8.230 nan 0.000 0.422 18 D N 2.072 122.495 120.400 0.037 0.000 2.723 18 D HA 0.840 5.481 4.640 0.002 0.000 0.247 18 D C -0.163 175.952 176.300 -0.309 0.000 1.134 18 D CA 0.408 54.375 54.000 -0.057 0.000 1.099 18 D CB 2.390 43.195 40.800 0.010 0.000 1.287 18 D HN 0.640 nan 8.370 nan 0.000 0.634 19 G N -0.602 107.718 108.800 -0.800 0.000 2.316 19 G HA2 0.367 4.328 3.960 0.002 0.000 0.349 19 G HA3 0.367 4.328 3.960 0.002 0.000 0.349 19 G C -0.624 173.940 174.900 -0.560 0.000 1.274 19 G CA -0.030 44.459 45.100 -1.019 0.000 1.018 19 G HN 0.646 nan 8.290 nan 0.000 0.486 20 A N -0.761 121.893 122.820 -0.276 0.000 2.325 20 A HA 0.703 5.024 4.320 0.002 0.000 0.260 20 A C 0.214 177.834 177.584 0.060 0.000 1.133 20 A CA 0.956 52.959 52.037 -0.055 0.000 0.801 20 A CB -0.058 18.862 19.000 -0.134 0.000 1.092 20 A HN 2.142 nan 8.150 nan 0.000 0.504 21 Y N -3.221 117.169 120.300 0.149 0.000 2.453 21 Y HA 0.565 5.116 4.550 0.002 0.000 0.326 21 Y C 1.073 177.048 175.900 0.126 0.000 1.186 21 Y CA -0.963 57.252 58.100 0.191 0.000 1.200 21 Y CB 0.693 39.355 38.460 0.337 0.000 1.247 21 Y HN 1.612 nan 8.280 nan 0.000 0.482 22 G N 1.851 110.861 108.800 0.349 0.000 2.257 22 G HA2 -0.397 3.564 3.960 0.002 0.000 0.267 22 G HA3 -0.397 3.564 3.960 0.002 0.000 0.267 22 G C 0.902 175.822 174.900 0.032 0.000 0.984 22 G CA 0.807 46.039 45.100 0.220 0.000 0.626 22 G HN 1.256 nan 8.290 nan 0.000 0.540 23 I N -1.859 118.643 120.570 -0.113 0.000 2.423 23 I HA 0.315 4.486 4.170 0.002 0.000 0.254 23 I C 1.943 178.013 176.117 -0.078 0.000 1.151 23 I CA 1.538 62.710 61.300 -0.213 0.000 1.421 23 I CB -0.417 37.396 38.000 -0.312 0.000 1.079 23 I HN 1.441 nan 8.210 nan 0.000 0.431 24 G N 1.926 110.718 108.800 -0.014 0.000 2.141 24 G HA2 -0.218 3.743 3.960 0.002 0.000 0.164 24 G HA3 -0.218 3.743 3.960 0.002 0.000 0.164 24 G C 0.558 175.465 174.900 0.013 0.000 1.009 24 G CA 0.165 45.272 45.100 0.011 0.000 0.677 24 G HN 0.641 nan 8.290 nan 0.000 0.508 25 K N -0.428 119.980 120.400 0.014 0.000 2.555 25 K HA 0.210 4.531 4.320 0.002 0.000 0.193 25 K C 1.640 178.265 176.600 0.042 0.000 1.032 25 K CA 1.309 57.605 56.287 0.016 0.000 1.004 25 K CB 0.054 32.558 32.500 0.007 0.000 0.804 25 K HN 0.222 nan 8.250 nan 0.000 0.496 26 T N 0.472 115.059 114.554 0.055 0.000 3.071 26 T HA -0.020 4.331 4.350 0.002 0.000 0.239 26 T C 1.609 176.339 174.700 0.049 0.000 0.997 26 T CA 0.881 63.018 62.100 0.062 0.000 1.134 26 T CB 0.101 69.016 68.868 0.078 0.000 0.928 26 T HN 0.270 nan 8.240 nan 0.000 0.453 27 T N 1.845 116.427 114.554 0.047 0.000 3.072 27 T HA 0.203 4.554 4.350 0.002 0.000 0.266 27 T C 1.916 176.640 174.700 0.040 0.000 1.127 27 T CA 0.800 62.926 62.100 0.043 0.000 1.107 27 T CB -0.140 68.752 68.868 0.040 0.000 0.910 27 T HN 0.336 nan 8.240 nan 0.000 0.513 28 A N 0.423 123.267 122.820 0.040 0.000 2.252 28 A HA 0.731 5.052 4.320 0.002 0.000 0.213 28 A C 2.253 179.877 177.584 0.066 0.000 1.188 28 A CA 0.531 52.597 52.037 0.048 0.000 0.863 28 A CB -0.208 18.810 19.000 0.029 0.000 0.893 28 A HN 0.443 nan 8.150 nan 0.000 0.495 29 A N -0.276 122.578 122.820 0.057 0.000 2.147 29 A HA 0.166 4.487 4.320 0.002 0.000 0.211 29 A C 1.694 179.334 177.584 0.095 0.000 1.160 29 A CA 0.922 53.006 52.037 0.077 0.000 0.781 29 A CB -0.078 18.955 19.000 0.056 0.000 0.842 29 A HN 0.496 nan 8.150 nan 0.000 0.475 30 E N -0.461 119.752 120.200 0.021 0.000 2.102 30 E HA -0.079 4.272 4.350 0.002 0.000 0.190 30 E C 1.492 178.003 176.600 -0.150 0.000 0.971 30 E CA 0.358 56.683 56.400 -0.125 0.000 0.821 30 E CB -0.066 29.565 29.700 -0.114 0.000 0.777 30 E HN 0.354 nan 8.360 nan 0.000 0.460 31 E N 0.281 120.482 120.200 0.002 0.000 2.463 31 E HA -0.159 4.192 4.350 0.002 0.000 0.201 31 E C 1.183 177.838 176.600 0.092 0.000 1.045 31 E CA 0.513 56.933 56.400 0.034 0.000 0.872 31 E CB -0.026 29.699 29.700 0.043 0.000 0.797 31 E HN 0.186 nan 8.360 nan 0.000 0.538 32 F N -0.376 119.563 119.950 -0.019 0.000 2.619 32 F HA 0.028 4.556 4.527 0.001 0.000 0.293 32 F C 1.713 177.553 175.800 0.067 0.000 1.119 32 F CA 0.129 58.168 58.000 0.065 0.000 1.445 32 F CB 0.145 39.219 39.000 0.124 0.000 1.119 32 F HN 0.033 nan 8.300 nan 0.000 0.573 33 L N -0.137 121.057 121.223 -0.049 0.000 2.130 33 L HA -0.002 4.339 4.340 0.002 0.000 0.200 33 L C 2.206 179.032 176.870 -0.074 0.000 1.075 33 L CA 1.820 56.588 54.840 -0.121 0.000 0.768 33 L CB -1.241 40.723 42.059 -0.159 0.000 0.933 33 L HN 0.033 nan 8.230 nan 0.000 0.451 34 H N -1.560 117.502 119.070 -0.013 0.000 2.561 34 H HA -0.069 4.488 4.556 0.002 0.000 0.278 34 H C 1.335 176.639 175.328 -0.039 0.000 1.014 34 H CA 1.358 57.392 56.048 -0.023 0.000 1.211 34 H CB -0.371 29.377 29.762 -0.024 0.000 1.365 34 H HN 0.628 nan 8.280 nan 0.000 0.594 35 H N -1.910 117.040 119.070 -0.199 0.000 2.874 35 H HA 0.130 4.687 4.556 0.002 0.000 0.264 35 H C 0.284 175.225 175.328 -0.644 0.000 1.007 35 H CA 0.053 55.821 56.048 -0.467 0.000 1.207 35 H CB 0.608 29.953 29.762 -0.694 0.000 1.487 35 H HN 0.159 nan 8.280 nan 0.000 0.505 36 F N -0.690 119.145 119.950 -0.191 0.000 2.880 36 F HA 0.341 4.869 4.527 0.002 0.000 0.328 36 F C 0.990 176.675 175.800 -0.191 0.000 1.146 36 F CA -0.184 57.636 58.000 -0.301 0.000 1.135 36 F CB 1.229 39.888 39.000 -0.567 0.000 1.151 36 F HN 0.083 nan 8.300 nan 0.000 0.523 37 A N 0.574 123.416 122.820 0.037 0.000 2.833 37 A HA 0.341 4.662 4.320 0.002 0.000 0.293 37 A C 1.527 179.144 177.584 0.054 0.000 1.338 37 A CA -0.112 51.955 52.037 0.050 0.000 0.959 37 A CB -0.978 18.060 19.000 0.063 0.000 1.094 37 A HN 0.462 nan 8.150 nan 0.000 0.569 38 I N -0.205 120.395 120.570 0.050 0.000 2.194 38 I HA -0.154 4.017 4.170 0.002 0.000 0.246 38 I C 1.725 177.863 176.117 0.035 0.000 1.093 38 I CA 1.677 63.002 61.300 0.041 0.000 1.355 38 I CB -0.164 37.860 38.000 0.040 0.000 1.046 38 I HN 0.458 nan 8.210 nan 0.000 0.413 39 T N 0.456 115.030 114.554 0.033 0.000 2.832 39 T HA 0.276 4.627 4.350 0.002 0.000 0.313 39 T C -1.594 173.137 174.700 0.052 0.000 1.035 39 T CA -2.031 60.087 62.100 0.030 0.000 0.950 39 T CB 1.238 70.113 68.868 0.012 0.000 0.984 39 T HN -0.142 nan 8.240 nan 0.000 0.486 40 P HA -0.181 nan 4.420 nan 0.000 0.219 40 P C 0.968 178.345 177.300 0.127 0.000 1.161 40 P CA 1.444 64.593 63.100 0.083 0.000 0.909 40 P CB 0.028 31.769 31.700 0.069 0.000 0.793 41 N N -1.309 117.470 118.700 0.133 0.000 2.413 41 N HA -0.001 4.740 4.740 0.002 0.000 0.207 41 N C 1.413 177.033 175.510 0.183 0.000 1.206 41 N CA -0.138 53.044 53.050 0.219 0.000 0.832 41 N CB -0.075 38.525 38.487 0.187 0.000 1.037 41 N HN 0.039 nan 8.380 nan 0.000 0.467 42 R N 0.369 120.951 120.500 0.136 0.000 2.335 42 R HA 0.282 4.623 4.340 0.002 0.000 0.210 42 R C -0.096 176.296 176.300 0.153 0.000 0.892 42 R CA 0.230 56.364 56.100 0.058 0.000 1.048 42 R CB 0.667 30.976 30.300 0.015 0.000 1.067 42 R HN 0.185 nan 8.270 nan 0.000 0.524 43 I N 0.911 121.647 120.570 0.277 0.000 2.722 43 I HA 0.281 4.452 4.170 0.002 0.000 0.292 43 I C -2.176 174.119 176.117 0.297 0.000 1.267 43 I CA -1.191 60.292 61.300 0.304 0.000 1.036 43 I CB 2.175 40.273 38.000 0.163 0.000 1.281 43 I HN -0.094 nan 8.210 nan 0.000 0.423 44 L N 8.047 129.428 121.223 0.264 0.000 2.376 44 L HA 0.633 4.974 4.340 0.002 0.000 0.275 44 L C -1.923 174.965 176.870 0.030 0.000 0.987 44 L CA -0.402 54.465 54.840 0.044 0.000 0.828 44 L CB 1.638 43.545 42.059 -0.253 0.000 1.249 44 L HN 0.612 nan 8.230 nan 0.000 0.409 45 L N 6.077 127.310 121.223 0.016 0.000 2.322 45 L HA 0.674 5.015 4.340 0.002 0.000 0.279 45 L C -1.026 175.840 176.870 -0.006 0.000 1.036 45 L CA -0.086 54.767 54.840 0.021 0.000 0.807 45 L CB 1.451 43.529 42.059 0.031 0.000 1.226 45 L HN 0.603 nan 8.230 nan 0.000 0.433 46 I N 4.625 125.199 120.570 0.007 0.000 2.439 46 I HA 0.429 4.600 4.170 0.002 0.000 0.283 46 I C 0.433 176.558 176.117 0.013 0.000 1.023 46 I CA -0.538 60.760 61.300 -0.004 0.000 1.100 46 I CB 1.584 39.590 38.000 0.008 0.000 1.238 46 I HN 0.752 nan 8.210 nan 0.000 0.445 47 G N 4.324 113.114 108.800 -0.017 0.000 2.476 47 G HA2 0.338 4.299 3.960 0.002 0.000 0.286 47 G HA3 0.338 4.299 3.960 0.002 0.000 0.286 47 G C -0.282 174.563 174.900 -0.091 0.000 1.177 47 G CA -0.433 44.656 45.100 -0.019 0.000 0.870 47 G HN 0.609 nan 8.290 nan 0.000 0.528 48 E N 1.124 121.278 120.200 -0.077 0.000 2.502 48 E HA 0.002 4.353 4.350 0.002 0.000 0.261 48 E C -1.701 174.609 176.600 -0.485 0.000 0.974 48 E CA -0.633 55.617 56.400 -0.250 0.000 0.936 48 E CB 1.019 30.664 29.700 -0.092 0.000 0.926 48 E HN 0.253 nan 8.360 nan 0.000 0.459 49 P HA 0.035 nan 4.420 nan 0.000 0.218 49 P C 0.571 177.396 177.300 -0.792 0.000 1.793 49 P CA 0.138 62.843 63.100 -0.660 0.000 0.941 49 P CB -0.082 31.241 31.700 -0.628 0.000 1.919 50 L N 0.587 121.478 121.223 -0.554 0.000 2.043 50 L HA -0.247 4.094 4.340 0.002 0.000 0.212 50 L C 2.632 179.451 176.870 -0.085 0.000 1.075 50 L CA 2.206 56.914 54.840 -0.221 0.000 0.752 50 L CB -1.570 40.477 42.059 -0.020 0.000 0.891 50 L HN 0.225 nan 8.230 nan 0.000 0.432 51 S N -0.858 114.781 115.700 -0.101 0.000 2.407 51 S HA -0.255 4.216 4.470 0.002 0.000 0.235 51 S C 1.775 176.285 174.600 -0.149 0.000 1.036 51 S CA 1.518 59.651 58.200 -0.112 0.000 1.013 51 S CB -0.740 62.369 63.200 -0.151 0.000 0.820 51 S HN 0.435 nan 8.310 nan 0.000 0.476 52 Y N -0.314 119.893 120.300 -0.155 0.000 2.347 52 Y HA 0.183 4.734 4.550 0.002 0.000 0.294 52 Y C 2.244 178.176 175.900 0.053 0.000 1.117 52 Y CA -0.010 58.045 58.100 -0.076 0.000 1.184 52 Y CB -0.424 37.969 38.460 -0.110 0.000 1.047 52 Y HN 0.206 nan 8.280 nan 0.000 0.546 53 W N 0.616 121.958 121.300 0.070 0.000 2.358 53 W HA -0.068 4.593 4.660 0.002 0.000 0.303 53 W C 1.813 178.276 176.519 -0.093 0.000 1.208 53 W CA 0.919 58.214 57.345 -0.083 0.000 1.274 53 W CB -0.974 28.460 29.460 -0.043 0.000 1.138 53 W HN -0.008 nan 8.180 nan 0.000 0.515 54 R N 0.217 120.833 120.500 0.194 0.000 2.319 54 R HA -0.050 4.291 4.340 0.002 0.000 0.204 54 R C 0.163 176.486 176.300 0.038 0.000 0.954 54 R CA 0.526 56.682 56.100 0.095 0.000 1.066 54 R CB -0.518 29.831 30.300 0.081 0.000 0.991 54 R HN 0.022 nan 8.270 nan 0.000 0.486 55 N N 0.051 118.770 118.700 0.031 0.000 2.657 55 N HA 0.015 4.756 4.740 0.002 0.000 0.234 55 N C -1.551 173.965 175.510 0.011 0.000 1.433 55 N CA -0.154 52.895 53.050 -0.002 0.000 1.078 55 N CB 0.267 38.722 38.487 -0.053 0.000 1.508 55 N HN 0.011 nan 8.380 nan 0.000 0.547 56 L N 1.774 123.027 121.223 0.049 0.000 2.385 56 L HA 0.539 4.880 4.340 0.002 0.000 0.285 56 L C 0.750 177.648 176.870 0.045 0.000 1.125 56 L CA 0.295 55.179 54.840 0.075 0.000 0.890 56 L CB 0.044 42.144 42.059 0.068 0.000 1.251 56 L HN 0.536 nan 8.230 nan 0.000 0.445 57 A N 3.364 126.211 122.820 0.045 0.000 2.783 57 A HA -0.143 4.178 4.320 0.002 0.000 0.292 57 A C 1.410 179.010 177.584 0.027 0.000 1.495 57 A CA 1.182 53.238 52.037 0.032 0.000 0.787 57 A CB -1.995 17.026 19.000 0.036 0.000 1.017 57 A HN 1.706 nan 8.150 nan 0.000 0.516 58 G N -2.371 106.443 108.800 0.023 0.000 2.339 58 G HA2 -0.138 3.823 3.960 0.002 0.000 0.209 58 G HA3 -0.138 3.823 3.960 0.002 0.000 0.209 58 G C -0.141 174.786 174.900 0.046 0.000 1.015 58 G CA 0.460 45.577 45.100 0.028 0.000 0.635 58 G HN 1.201 nan 8.290 nan 0.000 0.499 59 E N 0.836 121.074 120.200 0.064 0.000 2.212 59 E HA 0.464 4.815 4.350 0.002 0.000 0.270 59 E C -1.364 175.282 176.600 0.076 0.000 0.956 59 E CA -0.775 55.690 56.400 0.107 0.000 0.825 59 E CB 1.895 31.712 29.700 0.194 0.000 1.167 59 E HN 0.132 nan 8.360 nan 0.000 0.400 60 D N 1.756 122.200 120.400 0.073 0.000 2.500 60 D HA 0.171 4.812 4.640 0.002 0.000 0.219 60 D C 0.801 177.075 176.300 -0.043 0.000 1.137 60 D CA -0.154 53.857 54.000 0.018 0.000 0.946 60 D CB 0.682 41.489 40.800 0.011 0.000 1.022 60 D HN 0.558 nan 8.370 nan 0.000 0.518 61 A N 4.817 127.565 122.820 -0.119 0.000 1.909 61 A HA -0.271 4.050 4.320 0.002 0.000 0.221 61 A C 2.241 179.657 177.584 -0.279 0.000 1.223 61 A CA 1.382 53.227 52.037 -0.319 0.000 0.658 61 A CB -0.596 17.782 19.000 -1.036 0.000 0.831 61 A HN 0.726 nan 8.150 nan 0.000 0.462 62 I N -1.265 119.227 120.570 -0.130 0.000 2.099 62 I HA -0.347 3.824 4.170 0.002 0.000 0.239 62 I C 2.769 178.905 176.117 0.031 0.000 1.066 62 I CA 1.715 63.071 61.300 0.093 0.000 1.324 62 I CB -0.699 37.439 38.000 0.230 0.000 1.037 62 I HN 0.631 nan 8.210 nan 0.000 0.401 63 C N 1.397 120.692 119.300 -0.010 0.000 2.398 63 C HA -0.176 4.285 4.460 0.002 0.000 0.276 63 C C 3.003 177.843 174.990 -0.251 0.000 1.222 63 C CA 1.464 60.455 59.018 -0.046 0.000 1.746 63 C CB -1.667 26.042 27.740 -0.051 0.000 2.039 63 C HN 0.687 nan 8.230 nan 0.000 0.470 64 G N -0.185 108.284 108.800 -0.552 0.000 2.442 64 G HA2 -0.250 3.711 3.960 0.002 0.000 0.219 64 G HA3 -0.250 3.711 3.960 0.002 0.000 0.219 64 G C 1.570 175.687 174.900 -1.305 0.000 1.141 64 G CA 1.111 45.348 45.100 -1.438 0.000 0.763 64 G HN 0.658 nan 8.290 nan 0.000 0.554 65 I N -1.427 118.703 120.570 -0.732 0.000 2.353 65 I HA 0.002 4.173 4.170 0.002 0.000 0.248 65 I C 2.370 178.192 176.117 -0.492 0.000 1.119 65 I CA 0.928 61.943 61.300 -0.474 0.000 1.417 65 I CB 0.131 37.891 38.000 -0.401 0.000 1.078 65 I HN 0.273 nan 8.210 nan 0.000 0.421 66 Y N 0.152 120.320 120.300 -0.219 0.000 2.177 66 Y HA 0.038 4.589 4.550 0.002 0.000 0.291 66 Y C 2.590 178.397 175.900 -0.155 0.000 1.117 66 Y CA 1.133 59.132 58.100 -0.167 0.000 1.114 66 Y CB -1.136 37.245 38.460 -0.132 0.000 1.017 66 Y HN 0.131 nan 8.280 nan 0.000 0.505 67 G N -0.498 108.286 108.800 -0.027 0.000 2.547 67 G HA2 -0.321 3.640 3.960 0.002 0.000 0.221 67 G HA3 -0.321 3.640 3.960 0.002 0.000 0.221 67 G C 1.689 176.552 174.900 -0.062 0.000 1.140 67 G CA 1.922 46.989 45.100 -0.056 0.000 0.760 67 G HN 0.325 nan 8.290 nan 0.000 0.583 68 T N 0.543 115.028 114.554 -0.115 0.000 2.803 68 T HA -0.114 4.237 4.350 0.002 0.000 0.269 68 T C 2.533 177.220 174.700 -0.022 0.000 1.052 68 T CA 1.565 63.641 62.100 -0.040 0.000 1.136 68 T CB -0.126 68.743 68.868 0.002 0.000 0.864 68 T HN 0.230 nan 8.240 nan 0.000 0.467 69 Q N 0.506 120.283 119.800 -0.038 0.000 2.083 69 Q HA 0.013 4.354 4.340 0.002 0.000 0.198 69 Q C 2.642 178.640 176.000 -0.005 0.000 0.969 69 Q CA 1.229 57.019 55.803 -0.022 0.000 0.838 69 Q CB -1.135 27.585 28.738 -0.029 0.000 0.900 69 Q HN 0.473 nan 8.270 nan 0.000 0.436 70 T N 1.122 115.678 114.554 0.002 0.000 2.746 70 T HA -0.131 4.220 4.350 0.002 0.000 0.267 70 T C 1.884 176.584 174.700 -0.000 0.000 1.039 70 T CA 1.287 63.389 62.100 0.003 0.000 1.142 70 T CB -0.112 68.758 68.868 0.003 0.000 0.866 70 T HN 0.215 nan 8.240 nan 0.000 0.444 71 R N 0.373 120.872 120.500 -0.002 0.000 2.189 71 R HA 0.047 4.388 4.340 0.002 0.000 0.223 71 R C 2.604 178.907 176.300 0.004 0.000 1.092 71 R CA 0.865 56.967 56.100 0.003 0.000 0.989 71 R CB -0.048 30.257 30.300 0.008 0.000 0.876 71 R HN 0.291 nan 8.270 nan 0.000 0.457 72 R N -0.067 120.434 120.500 0.002 0.000 2.075 72 R HA -0.070 4.271 4.340 0.002 0.000 0.226 72 R C 1.533 177.832 176.300 -0.001 0.000 1.114 72 R CA 0.887 56.987 56.100 0.001 0.000 0.972 72 R CB -0.029 30.270 30.300 -0.002 0.000 0.869 72 R HN 0.059 nan 8.270 nan 0.000 0.437 73 L N 1.530 122.752 121.223 -0.001 0.000 2.083 73 L HA -0.089 4.252 4.340 0.002 0.000 0.209 73 L C 1.397 178.266 176.870 -0.001 0.000 1.083 73 L CA 1.773 56.612 54.840 -0.001 0.000 0.752 73 L CB -0.910 41.149 42.059 -0.001 0.000 0.899 73 L HN 0.291 nan 8.230 nan 0.000 0.433 74 N N -0.669 118.031 118.700 -0.000 0.000 2.515 74 N HA 0.047 4.788 4.740 0.002 0.000 0.185 74 N C 1.151 176.661 175.510 0.000 0.000 1.109 74 N CA 0.531 53.581 53.050 -0.000 0.000 0.903 74 N CB 0.023 38.510 38.487 0.000 0.000 0.969 74 N HN 0.449 nan 8.380 nan 0.000 0.450 75 G N 1.422 110.222 108.800 0.001 0.000 2.160 75 G HA2 -0.269 3.692 3.960 0.002 0.000 0.251 75 G HA3 -0.269 3.692 3.960 0.002 0.000 0.251 75 G C 0.322 175.223 174.900 0.002 0.000 1.008 75 G CA 0.402 45.502 45.100 0.001 0.000 0.724 75 G HN 0.294 nan 8.290 nan 0.000 0.514 76 D N -1.049 119.353 120.400 0.003 0.000 2.310 76 D HA 0.210 4.851 4.640 0.002 0.000 0.212 76 D C 1.027 177.330 176.300 0.006 0.000 0.965 76 D CA 1.418 55.421 54.000 0.005 0.000 0.879 76 D CB 0.585 41.389 40.800 0.006 0.000 0.921 76 D HN 0.553 nan 8.370 nan 0.000 0.510 77 V N -0.685 119.233 119.914 0.007 0.000 3.048 77 V HA 0.242 4.363 4.120 0.002 0.000 0.303 77 V C -0.700 175.397 176.094 0.006 0.000 1.214 77 V CA -0.947 61.358 62.300 0.008 0.000 0.984 77 V CB 2.216 34.048 31.823 0.015 0.000 1.054 77 V HN -0.033 nan 8.190 nan 0.000 0.430 78 S N 6.935 122.637 115.700 0.004 0.000 2.558 78 S HA 0.162 4.633 4.470 0.002 0.000 0.293 78 S C -1.057 173.545 174.600 0.003 0.000 1.292 78 S CA 0.225 58.426 58.200 0.002 0.000 1.063 78 S CB 1.034 64.234 63.200 0.001 0.000 0.831 78 S HN 0.765 nan 8.310 nan 0.000 0.499 79 P HA -0.137 nan 4.420 nan 0.000 0.220 79 P C 1.095 178.395 177.300 0.001 0.000 1.148 79 P CA 1.102 64.202 63.100 -0.000 0.000 0.803 79 P CB 0.127 31.824 31.700 -0.005 0.000 0.782 80 E N 0.052 120.254 120.200 0.002 0.000 2.072 80 E HA -0.161 4.190 4.350 0.002 0.000 0.191 80 E C 1.538 178.141 176.600 0.006 0.000 0.985 80 E CA 1.084 57.486 56.400 0.004 0.000 0.801 80 E CB -0.159 29.542 29.700 0.003 0.000 0.750 80 E HN 0.133 nan 8.360 nan 0.000 0.452 81 D N 0.112 120.515 120.400 0.005 0.000 2.162 81 D HA -0.068 4.573 4.640 0.002 0.000 0.203 81 D C 1.858 178.168 176.300 0.017 0.000 0.967 81 D CA 1.026 55.030 54.000 0.005 0.000 0.840 81 D CB -0.208 40.593 40.800 0.002 0.000 0.972 81 D HN 0.249 nan 8.370 nan 0.000 0.482 82 A N 1.209 124.041 122.820 0.020 0.000 1.986 82 A HA -0.264 4.057 4.320 0.002 0.000 0.220 82 A C 2.108 179.713 177.584 0.035 0.000 1.171 82 A CA 1.485 53.541 52.037 0.031 0.000 0.640 82 A CB -0.525 18.486 19.000 0.017 0.000 0.811 82 A HN 0.257 nan 8.150 nan 0.000 0.451 83 Q N -0.983 118.831 119.800 0.023 0.000 2.049 83 Q HA -0.107 4.234 4.340 0.002 0.000 0.198 83 Q C 2.379 178.399 176.000 0.034 0.000 0.971 83 Q CA 1.300 57.118 55.803 0.025 0.000 0.833 83 Q CB -0.163 28.585 28.738 0.018 0.000 0.896 83 Q HN 0.658 nan 8.270 nan 0.000 0.434 84 R N 0.291 120.805 120.500 0.023 0.000 2.081 84 R HA -0.129 4.212 4.340 0.002 0.000 0.235 84 R C 2.228 178.541 176.300 0.023 0.000 1.131 84 R CA 0.890 56.999 56.100 0.015 0.000 0.960 84 R CB -0.332 29.966 30.300 -0.004 0.000 0.856 84 R HN 0.101 nan 8.270 nan 0.000 0.436 85 L N 0.555 121.799 121.223 0.034 0.000 2.079 85 L HA -0.195 4.146 4.340 0.002 0.000 0.210 85 L C 2.046 179.026 176.870 0.183 0.000 1.081 85 L CA 1.893 56.773 54.840 0.066 0.000 0.752 85 L CB -0.728 41.401 42.059 0.116 0.000 0.896 85 L HN 0.200 nan 8.230 nan 0.000 0.433 86 T N -0.767 113.886 114.554 0.166 0.000 2.674 86 T HA -0.194 4.157 4.350 0.002 0.000 0.265 86 T C 1.943 176.725 174.700 0.136 0.000 1.039 86 T CA 1.373 63.582 62.100 0.181 0.000 1.150 86 T CB -0.549 68.362 68.868 0.071 0.000 0.864 86 T HN 0.461 nan 8.240 nan 0.000 0.427 87 A N 1.544 124.408 122.820 0.073 0.000 1.896 87 A HA -0.314 4.008 4.320 0.002 0.000 0.220 87 A C 1.966 179.559 177.584 0.015 0.000 1.206 87 A CA 2.796 54.855 52.037 0.037 0.000 0.647 87 A CB -1.305 17.706 19.000 0.019 0.000 0.828 87 A HN 0.728 nan 8.150 nan 0.000 0.455 88 H N -1.182 117.818 119.070 -0.117 0.000 2.252 88 H HA -0.212 4.345 4.556 0.002 0.000 0.292 88 H C 1.712 176.889 175.328 -0.251 0.000 1.082 88 H CA 2.574 58.473 56.048 -0.248 0.000 1.229 88 H CB -0.683 28.806 29.762 -0.455 0.000 1.353 88 H HN 0.469 nan 8.280 nan 0.000 0.488 89 F N 0.176 120.031 119.950 -0.158 0.000 2.069 89 F HA -0.256 4.272 4.527 0.002 0.000 0.298 89 F C 2.964 178.642 175.800 -0.204 0.000 1.113 89 F CA 1.420 59.266 58.000 -0.257 0.000 1.214 89 F CB -0.763 38.168 39.000 -0.116 0.000 0.978 89 F HN 0.288 nan 8.300 nan 0.000 0.474 90 Q N 1.317 121.200 119.800 0.139 0.000 2.156 90 Q HA -0.271 4.070 4.340 0.002 0.000 0.211 90 Q C 2.220 178.282 176.000 0.105 0.000 0.995 90 Q CA 2.690 58.594 55.803 0.169 0.000 0.877 90 Q CB -0.848 27.944 28.738 0.089 0.000 0.920 90 Q HN 0.403 nan 8.270 nan 0.000 0.416 91 S N -0.615 115.063 115.700 -0.037 0.000 2.400 91 S HA -0.149 4.322 4.470 0.002 0.000 0.232 91 S C 2.002 176.535 174.600 -0.113 0.000 1.025 91 S CA 1.214 59.368 58.200 -0.075 0.000 0.993 91 S CB -0.653 62.477 63.200 -0.118 0.000 0.808 91 S HN 0.510 nan 8.310 nan 0.000 0.478 92 L N -0.412 120.668 121.223 -0.238 0.000 2.081 92 L HA -0.127 4.214 4.340 0.002 0.000 0.212 92 L C 2.432 179.157 176.870 -0.243 0.000 1.080 92 L CA 1.697 56.364 54.840 -0.287 0.000 0.754 92 L CB -0.817 40.999 42.059 -0.405 0.000 0.893 92 L HN 0.286 nan 8.230 nan 0.000 0.433 93 F N -0.752 119.054 119.950 -0.240 0.000 2.250 93 F HA -0.243 4.285 4.527 0.002 0.000 0.301 93 F C 2.642 178.446 175.800 0.007 0.000 1.077 93 F CA 0.973 58.764 58.000 -0.348 0.000 1.348 93 F CB -1.080 37.529 39.000 -0.651 0.000 1.040 93 F HN 0.186 nan 8.300 nan 0.000 0.509 94 C N -0.055 119.325 119.300 0.135 0.000 2.440 94 C HA -0.243 4.218 4.460 0.002 0.000 0.282 94 C C 3.076 178.146 174.990 0.133 0.000 1.223 94 C CA 1.457 60.544 59.018 0.116 0.000 1.744 94 C CB -1.443 26.320 27.740 0.038 0.000 2.061 94 C HN 0.606 nan 8.230 nan 0.000 0.456 95 S N 2.934 118.684 115.700 0.083 0.000 2.401 95 S HA -0.238 4.233 4.470 0.002 0.000 0.236 95 S C -0.509 174.114 174.600 0.039 0.000 1.058 95 S CA 2.329 60.561 58.200 0.054 0.000 1.151 95 S CB -2.488 60.730 63.200 0.030 0.000 1.049 95 S HN 0.451 nan 8.310 nan 0.000 0.432 96 P HA -0.188 nan 4.420 nan 0.000 0.212 96 P C 1.527 178.784 177.300 -0.072 0.000 1.174 96 P CA 1.806 64.825 63.100 -0.135 0.000 0.934 96 P CB -0.327 31.295 31.700 -0.130 0.000 0.791 97 H N -0.946 118.159 119.070 0.060 0.000 2.426 97 H HA -0.116 4.441 4.556 0.002 0.000 0.298 97 H C 1.872 177.208 175.328 0.014 0.000 1.107 97 H CA 1.889 57.965 56.048 0.047 0.000 1.298 97 H CB -0.661 29.168 29.762 0.112 0.000 1.377 97 H HN 0.068 nan 8.280 nan 0.000 0.519 98 A N 0.811 123.717 122.820 0.142 0.000 1.898 98 A HA -0.068 4.253 4.320 0.002 0.000 0.214 98 A C 2.495 180.126 177.584 0.077 0.000 1.183 98 A CA 0.790 52.881 52.037 0.090 0.000 0.622 98 A CB -0.307 18.728 19.000 0.058 0.000 0.824 98 A HN 0.203 nan 8.150 nan 0.000 0.444 99 I N -0.635 119.948 120.570 0.023 0.000 2.151 99 I HA -0.280 3.891 4.170 0.002 0.000 0.243 99 I C 2.512 178.629 176.117 -0.000 0.000 1.080 99 I CA 2.220 63.516 61.300 -0.007 0.000 1.339 99 I CB -1.183 36.777 38.000 -0.067 0.000 1.039 99 I HN 0.448 nan 8.210 nan 0.000 0.409 100 M N 0.683 120.278 119.600 -0.008 0.000 2.200 100 M HA -0.289 4.192 4.480 0.002 0.000 0.261 100 M C 2.538 178.877 176.300 0.065 0.000 1.074 100 M CA 2.308 57.611 55.300 0.005 0.000 1.098 100 M CB -1.027 31.569 32.600 -0.006 0.000 1.268 100 M HN 0.306 nan 8.290 nan 0.000 0.432 101 H N -0.237 118.849 119.070 0.027 0.000 2.362 101 H HA -0.183 4.374 4.556 0.002 0.000 0.294 101 H C 1.661 177.003 175.328 0.023 0.000 1.113 101 H CA 2.842 58.905 56.048 0.024 0.000 1.253 101 H CB -0.368 29.356 29.762 -0.063 0.000 1.363 101 H HN 0.530 nan 8.280 nan 0.000 0.494 102 A N 0.195 123.069 122.820 0.090 0.000 1.933 102 A HA -0.165 4.156 4.320 0.002 0.000 0.218 102 A C 2.276 179.843 177.584 -0.028 0.000 1.175 102 A CA 1.828 53.886 52.037 0.035 0.000 0.628 102 A CB -0.533 18.512 19.000 0.075 0.000 0.814 102 A HN 0.491 nan 8.150 nan 0.000 0.444 103 K N 0.407 120.794 120.400 -0.022 0.000 2.001 103 K HA -0.003 4.318 4.320 0.002 0.000 0.208 103 K C 1.604 178.178 176.600 -0.045 0.000 1.048 103 K CA 1.733 58.004 56.287 -0.027 0.000 0.932 103 K CB -0.647 31.838 32.500 -0.025 0.000 0.715 103 K HN 0.407 nan 8.250 nan 0.000 0.437 104 I N 0.948 121.481 120.570 -0.062 0.000 2.194 104 I HA -0.316 3.855 4.170 0.002 0.000 0.246 104 I C 1.926 177.994 176.117 -0.081 0.000 1.093 104 I CA 1.549 62.811 61.300 -0.063 0.000 1.355 104 I CB -0.260 37.711 38.000 -0.048 0.000 1.046 104 I HN 0.187 nan 8.210 nan 0.000 0.413 105 S N 0.476 116.081 115.700 -0.158 0.000 2.419 105 S HA -0.124 4.347 4.470 0.002 0.000 0.233 105 S C 2.131 176.707 174.600 -0.039 0.000 1.016 105 S CA 1.155 59.284 58.200 -0.118 0.000 0.974 105 S CB -0.237 62.870 63.200 -0.154 0.000 0.786 105 S HN 0.571 nan 8.310 nan 0.000 0.492 106 A N 1.158 123.960 122.820 -0.031 0.000 1.968 106 A HA 0.172 4.493 4.320 0.002 0.000 0.217 106 A C 1.727 179.314 177.584 0.004 0.000 1.169 106 A CA 0.719 52.752 52.037 -0.007 0.000 0.638 106 A CB -0.399 18.598 19.000 -0.005 0.000 0.812 106 A HN 0.482 nan 8.150 nan 0.000 0.446 107 L N -1.110 120.114 121.223 0.002 0.000 2.612 107 L HA 0.224 4.565 4.340 0.002 0.000 0.230 107 L C 0.463 177.355 176.870 0.036 0.000 1.140 107 L CA -0.186 54.665 54.840 0.019 0.000 0.896 107 L CB -0.407 41.661 42.059 0.015 0.000 1.065 107 L HN 0.318 nan 8.230 nan 0.000 0.447 108 M N 0.736 120.353 119.600 0.029 0.000 2.113 108 M HA 0.158 4.639 4.480 0.002 0.000 0.352 108 M C -0.337 175.987 176.300 0.041 0.000 1.170 108 M CA -0.378 54.948 55.300 0.043 0.000 1.053 108 M CB 0.936 33.559 32.600 0.039 0.000 1.601 108 M HN -0.114 nan 8.290 nan 0.000 0.459 109 D N 3.097 123.526 120.400 0.047 0.000 2.346 109 D HA 0.176 4.817 4.640 0.002 0.000 0.260 109 D C -0.635 175.688 176.300 0.038 0.000 1.252 109 D CA 0.406 54.431 54.000 0.041 0.000 0.895 109 D CB 0.700 41.525 40.800 0.042 0.000 1.097 109 D HN 0.588 nan 8.370 nan 0.000 0.489 123 Y N -0.488 119.747 120.300 -0.108 0.000 2.346 123 Y HA 0.479 5.030 4.550 0.002 0.000 0.330 123 Y C 0.676 176.467 175.900 -0.181 0.000 1.178 123 Y CA -1.172 56.845 58.100 -0.139 0.000 1.331 123 Y CB 0.510 38.915 38.460 -0.091 0.000 1.253 123 Y HN 0.121 nan 8.280 nan 0.000 0.529 124 K N 4.560 124.890 120.400 -0.116 0.000 2.383 124 K HA 0.281 4.602 4.320 0.002 0.000 0.286 124 K C -0.323 176.215 176.600 -0.105 0.000 1.051 124 K CA -0.217 55.867 56.287 -0.338 0.000 0.974 124 K CB 0.659 32.423 32.500 -1.227 0.000 0.968 124 K HN 0.852 nan 8.250 nan 0.000 0.475 125 I N 4.291 124.911 120.570 0.084 0.000 2.315 125 I HA 0.240 4.411 4.170 0.002 0.000 0.291 125 I C -0.696 175.598 176.117 0.296 0.000 1.006 125 I CA -1.012 60.380 61.300 0.153 0.000 1.265 125 I CB 0.759 38.844 38.000 0.142 0.000 1.387 125 I HN 0.617 nan 8.210 nan 0.000 0.475 126 M N 7.819 127.576 119.600 0.262 0.000 2.036 126 M HA 0.438 4.919 4.480 0.002 0.000 0.337 126 M C -1.579 174.742 176.300 0.036 0.000 1.012 126 M CA -0.394 55.022 55.300 0.193 0.000 0.962 126 M CB 1.345 34.042 32.600 0.162 0.000 1.423 126 M HN 0.585 nan 8.290 nan 0.000 0.405 127 L N 2.882 124.143 121.223 0.064 0.000 2.349 127 L HA 0.723 5.064 4.340 0.002 0.000 0.275 127 L C -0.210 176.658 176.870 -0.004 0.000 1.115 127 L CA 0.677 55.534 54.840 0.028 0.000 0.820 127 L CB 1.514 43.648 42.059 0.124 0.000 1.135 127 L HN 0.950 nan 8.230 nan 0.000 0.445 128 S N 2.598 118.282 115.700 -0.027 0.000 2.548 128 S HA 0.416 4.887 4.470 0.002 0.000 0.286 128 S C -1.210 173.500 174.600 0.184 0.000 1.098 128 S CA -0.808 57.441 58.200 0.082 0.000 0.930 128 S CB 1.192 64.465 63.200 0.121 0.000 1.070 128 S HN 0.676 nan 8.310 nan 0.000 0.480 129 D N 3.145 123.673 120.400 0.214 0.000 2.380 129 D HA 0.383 5.025 4.640 0.002 0.000 0.230 129 D C -0.288 176.211 176.300 0.332 0.000 1.154 129 D CA 0.464 54.599 54.000 0.225 0.000 0.859 129 D CB -0.300 40.602 40.800 0.170 0.000 1.045 129 D HN 0.651 nan 8.370 nan 0.000 0.495 130 R N 1.570 122.238 120.500 0.279 0.000 1.008 130 R HA -0.193 4.148 4.340 0.002 0.000 0.429 130 R C -0.701 175.655 176.300 0.095 0.000 1.364 130 R CA 0.095 56.324 56.100 0.215 0.000 1.225 130 R CB -0.535 29.908 30.300 0.238 0.000 3.501 130 R HN 0.652 nan 8.270 nan 0.000 0.510 131 H N 3.955 122.967 119.070 -0.096 0.000 2.472 131 H HA 0.245 4.802 4.556 0.002 0.000 0.338 131 H C -1.871 173.213 175.328 -0.407 0.000 1.133 131 H CA -2.152 53.696 56.048 -0.334 0.000 1.216 131 H CB 1.933 31.490 29.762 -0.341 0.000 1.497 131 H HN 0.216 nan 8.280 nan 0.000 0.500 132 P HA -0.235 nan 4.420 nan 0.000 0.219 132 P C 1.716 178.973 177.300 -0.071 0.000 1.153 132 P CA 2.325 65.219 63.100 -0.343 0.000 0.865 132 P CB -0.143 31.266 31.700 -0.484 0.000 0.788 133 I N -4.341 116.311 120.570 0.136 0.000 2.700 133 I HA -0.167 4.004 4.170 0.002 0.000 0.261 133 I C 1.884 178.000 176.117 -0.001 0.000 1.219 133 I CA 1.515 62.822 61.300 0.013 0.000 1.463 133 I CB -0.839 37.121 38.000 -0.066 0.000 1.092 133 I HN -0.163 nan 8.210 nan 0.000 0.452 134 A N 2.036 124.887 122.820 0.052 0.000 1.898 134 A HA -0.177 4.144 4.320 0.002 0.000 0.216 134 A C 2.590 180.216 177.584 0.069 0.000 1.181 134 A CA 2.189 54.311 52.037 0.142 0.000 0.620 134 A CB -0.871 18.253 19.000 0.206 0.000 0.819 134 A HN 0.681 nan 8.150 nan 0.000 0.442 135 S N -0.691 114.979 115.700 -0.049 0.000 2.406 135 S HA -0.111 4.360 4.470 0.002 0.000 0.224 135 S C 1.878 176.454 174.600 -0.039 0.000 1.030 135 S CA 1.644 59.792 58.200 -0.087 0.000 0.958 135 S CB -1.090 62.093 63.200 -0.027 0.000 0.811 135 S HN 0.750 nan 8.310 nan 0.000 0.489 136 T N -0.930 113.598 114.554 -0.044 0.000 3.081 136 T HA 0.361 4.712 4.350 0.002 0.000 0.255 136 T C 1.411 176.052 174.700 -0.098 0.000 1.113 136 T CA 0.465 62.525 62.100 -0.066 0.000 1.082 136 T CB -0.282 68.546 68.868 -0.067 0.000 0.939 136 T HN 0.697 nan 8.240 nan 0.000 0.506 137 I N -2.569 117.946 120.570 -0.092 0.000 4.505 137 I HA 0.230 4.401 4.170 0.002 0.000 0.294 137 I C 1.746 177.764 176.117 -0.165 0.000 1.144 137 I CA -0.209 61.005 61.300 -0.143 0.000 1.325 137 I CB -0.219 37.681 38.000 -0.167 0.000 1.663 137 I HN 0.098 nan 8.210 nan 0.000 0.454 138 C N 1.490 120.683 119.300 -0.178 0.000 2.473 138 C HA -0.024 4.437 4.460 0.002 0.000 0.279 138 C C 2.502 177.360 174.990 -0.220 0.000 1.250 138 C CA 1.190 60.004 59.018 -0.340 0.000 1.713 138 C CB -1.208 26.136 27.740 -0.659 0.000 2.066 138 C HN 0.610 nan 8.230 nan 0.000 0.474 139 F N 1.874 121.709 119.950 -0.191 0.000 2.051 139 F HA -0.061 4.467 4.527 0.002 0.000 0.296 139 F C 0.180 175.960 175.800 -0.034 0.000 1.122 139 F CA 1.868 59.822 58.000 -0.076 0.000 1.201 139 F CB -2.304 36.643 39.000 -0.088 0.000 0.978 139 F HN 0.179 nan 8.300 nan 0.000 0.472 140 P HA -0.220 nan 4.420 nan 0.000 0.216 140 P C 1.923 179.242 177.300 0.032 0.000 1.154 140 P CA 1.517 64.651 63.100 0.056 0.000 0.865 140 P CB -0.070 31.618 31.700 -0.021 0.000 0.789 141 L N -0.327 120.872 121.223 -0.040 0.000 2.141 141 L HA -0.040 4.301 4.340 0.002 0.000 0.209 141 L C 2.598 179.459 176.870 -0.015 0.000 1.094 141 L CA 1.706 56.514 54.840 -0.053 0.000 0.763 141 L CB -1.524 40.448 42.059 -0.146 0.000 0.908 141 L HN -0.084 nan 8.230 nan 0.000 0.437 142 S N -1.070 114.581 115.700 -0.081 0.000 2.371 142 S HA -0.092 4.379 4.470 0.002 0.000 0.224 142 S C 2.013 176.676 174.600 0.106 0.000 1.029 142 S CA 0.552 58.669 58.200 -0.139 0.000 0.978 142 S CB -0.106 62.810 63.200 -0.475 0.000 0.833 142 S HN 0.330 nan 8.310 nan 0.000 0.466 143 R N 0.521 121.176 120.500 0.258 0.000 2.091 143 R HA -0.092 4.249 4.340 0.002 0.000 0.238 143 R C 2.022 178.396 176.300 0.123 0.000 1.136 143 R CA 1.429 57.677 56.100 0.246 0.000 0.959 143 R CB -1.114 29.283 30.300 0.161 0.000 0.856 143 R HN 0.597 nan 8.270 nan 0.000 0.437 144 Y N 1.713 122.017 120.300 0.007 0.000 2.049 144 Y HA -0.222 4.329 4.550 0.002 0.000 0.277 144 Y C 2.310 178.191 175.900 -0.031 0.000 1.143 144 Y CA 1.749 59.835 58.100 -0.024 0.000 1.115 144 Y CB -0.593 37.835 38.460 -0.054 0.000 0.975 144 Y HN -0.094 nan 8.280 nan 0.000 0.487 145 L N -0.550 120.626 121.223 -0.078 0.000 2.051 145 L HA -0.298 4.043 4.340 0.002 0.000 0.214 145 L C 2.314 179.052 176.870 -0.221 0.000 1.076 145 L CA 1.535 56.254 54.840 -0.202 0.000 0.758 145 L CB -0.910 41.072 42.059 -0.127 0.000 0.890 145 L HN 0.223 nan 8.230 nan 0.000 0.433 146 V N -0.502 119.350 119.914 -0.104 0.000 3.041 146 V HA 0.015 4.136 4.120 0.002 0.000 0.260 146 V C 1.632 177.672 176.094 -0.089 0.000 1.105 146 V CA 1.318 63.589 62.300 -0.048 0.000 1.125 146 V CB -0.092 31.798 31.823 0.112 0.000 0.730 146 V HN 0.780 nan 8.190 nan 0.000 0.479 147 G N -0.010 108.694 108.800 -0.160 0.000 2.141 147 G HA2 -0.213 3.748 3.960 0.002 0.000 0.231 147 G HA3 -0.213 3.748 3.960 0.002 0.000 0.231 147 G C 0.399 175.250 174.900 -0.083 0.000 0.984 147 G CA 0.351 45.354 45.100 -0.162 0.000 0.660 147 G HN 0.460 nan 8.290 nan 0.000 0.525 148 D N -0.460 119.913 120.400 -0.045 0.000 2.348 148 D HA 0.210 4.851 4.640 0.002 0.000 0.211 148 D C 1.173 177.469 176.300 -0.005 0.000 0.998 148 D CA 0.788 54.770 54.000 -0.029 0.000 0.873 148 D CB 0.266 41.035 40.800 -0.051 0.000 0.925 148 D HN 0.601 nan 8.370 nan 0.000 0.524 149 M N 0.306 119.915 119.600 0.014 0.000 2.501 149 M HA 0.224 4.705 4.480 0.002 0.000 0.293 149 M C -1.173 175.183 176.300 0.095 0.000 1.192 149 M CA -0.620 54.711 55.300 0.053 0.000 0.886 149 M CB 2.260 34.904 32.600 0.074 0.000 1.710 149 M HN -0.200 nan 8.290 nan 0.000 0.457 150 S N 3.718 119.469 115.700 0.085 0.000 2.523 150 S HA 0.423 4.894 4.470 0.002 0.000 0.275 150 S C -1.820 172.852 174.600 0.119 0.000 1.281 150 S CA -1.052 57.214 58.200 0.111 0.000 1.050 150 S CB 0.654 63.888 63.200 0.057 0.000 0.937 150 S HN 0.690 nan 8.310 nan 0.000 0.492 151 P HA -0.237 nan 4.420 nan 0.000 0.218 151 P C 1.480 178.702 177.300 -0.130 0.000 1.146 151 P CA 1.762 64.822 63.100 -0.066 0.000 0.820 151 P CB -0.266 31.368 31.700 -0.111 0.000 0.778 152 A N 0.694 123.481 122.820 -0.054 0.000 2.054 152 A HA -0.161 4.160 4.320 0.002 0.000 0.223 152 A C 2.288 179.804 177.584 -0.114 0.000 1.169 152 A CA 2.211 54.209 52.037 -0.066 0.000 0.655 152 A CB -1.349 17.644 19.000 -0.012 0.000 0.812 152 A HN 0.346 nan 8.150 nan 0.000 0.462 153 A N -1.339 121.411 122.820 -0.117 0.000 2.345 153 A HA 0.504 4.825 4.320 0.002 0.000 0.225 153 A C 1.712 179.161 177.584 -0.225 0.000 1.243 153 A CA 0.120 52.076 52.037 -0.134 0.000 0.875 153 A CB -0.268 18.686 19.000 -0.076 0.000 0.929 153 A HN 0.430 nan 8.150 nan 0.000 0.502 154 L N -0.425 120.602 121.223 -0.326 0.000 2.072 154 L HA -0.047 4.295 4.340 0.002 0.000 0.205 154 L C -0.624 175.825 176.870 -0.700 0.000 1.079 154 L CA 1.035 55.593 54.840 -0.469 0.000 0.752 154 L CB -1.317 40.426 42.059 -0.526 0.000 0.906 154 L HN 0.186 nan 8.230 nan 0.000 0.436 155 P HA -0.141 nan 4.420 nan 0.000 0.215 155 P C 1.585 178.623 177.300 -0.437 0.000 1.153 155 P CA 1.685 64.216 63.100 -0.948 0.000 0.853 155 P CB -0.175 31.001 31.700 -0.872 0.000 0.788 156 G N -0.928 107.710 108.800 -0.269 0.000 2.470 156 G HA2 -0.170 3.791 3.960 0.002 0.000 0.220 156 G HA3 -0.170 3.791 3.960 0.002 0.000 0.220 156 G C 1.276 176.098 174.900 -0.132 0.000 1.121 156 G CA 0.644 45.669 45.100 -0.125 0.000 0.766 156 G HN 0.242 nan 8.290 nan 0.000 0.553 157 L N -0.990 120.103 121.223 -0.217 0.000 2.445 157 L HA 0.306 4.647 4.340 0.002 0.000 0.207 157 L C 2.635 179.387 176.870 -0.198 0.000 1.053 157 L CA 0.054 54.791 54.840 -0.172 0.000 0.841 157 L CB -0.358 41.603 42.059 -0.163 0.000 1.074 157 L HN 0.076 nan 8.230 nan 0.000 0.479 158 L N -0.701 120.307 121.223 -0.359 0.000 2.095 158 L HA -0.052 4.289 4.340 0.002 0.000 0.204 158 L C 2.267 179.087 176.870 -0.084 0.000 1.080 158 L CA 1.042 55.684 54.840 -0.329 0.000 0.759 158 L CB -0.390 41.320 42.059 -0.581 0.000 0.914 158 L HN 0.162 nan 8.230 nan 0.000 0.439 159 F N -0.191 119.694 119.950 -0.109 0.000 2.789 159 F HA -0.002 4.526 4.527 0.002 0.000 0.300 159 F C 2.227 178.032 175.800 0.008 0.000 1.132 159 F CA 0.500 58.473 58.000 -0.045 0.000 1.404 159 F CB -1.339 37.652 39.000 -0.015 0.000 1.114 159 F HN 0.095 nan 8.300 nan 0.000 0.584 160 T N -2.021 112.620 114.554 0.145 0.000 3.223 160 T HA 0.303 4.654 4.350 0.002 0.000 0.259 160 T C 0.460 175.202 174.700 0.070 0.000 1.015 160 T CA -0.101 62.064 62.100 0.108 0.000 0.908 160 T CB -0.713 68.200 68.868 0.075 0.000 1.054 160 T HN -0.033 nan 8.240 nan 0.000 0.567 161 L N 3.293 124.554 121.223 0.063 0.000 2.485 161 L HA 0.303 4.644 4.340 0.002 0.000 0.275 161 L C -1.526 175.378 176.870 0.057 0.000 1.207 161 L CA -1.547 53.317 54.840 0.040 0.000 0.855 161 L CB 0.181 42.255 42.059 0.025 0.000 1.114 161 L HN 0.205 nan 8.230 nan 0.000 0.485 162 P HA 0.219 nan 4.420 nan 0.000 0.284 162 P C -0.917 176.440 177.300 0.095 0.000 1.258 162 P CA -0.664 62.484 63.100 0.080 0.000 0.824 162 P CB 1.248 33.006 31.700 0.097 0.000 1.038 163 A N 1.889 124.763 122.820 0.090 0.000 2.573 163 A HA -0.012 4.309 4.320 0.002 0.000 0.250 163 A C 0.556 178.218 177.584 0.130 0.000 1.049 163 A CA 0.294 52.385 52.037 0.091 0.000 0.767 163 A CB -0.777 18.266 19.000 0.071 0.000 0.965 163 A HN 0.574 nan 8.150 nan 0.000 0.514 164 E N 3.937 124.216 120.200 0.131 0.000 2.259 164 E HA 0.384 4.735 4.350 0.002 0.000 0.281 164 E C -2.078 174.610 176.600 0.147 0.000 1.037 164 E CA -1.710 54.799 56.400 0.182 0.000 0.854 164 E CB 0.619 30.405 29.700 0.143 0.000 1.051 164 E HN 0.526 nan 8.360 nan 0.000 0.409 165 P HA 0.220 nan 4.420 nan 0.000 0.275 165 P C -2.534 174.838 177.300 0.120 0.000 1.227 165 P CA -1.472 61.694 63.100 0.110 0.000 0.781 165 P CB 0.317 32.066 31.700 0.082 0.000 0.906 166 P HA 0.121 nan 4.420 nan 0.000 0.264 166 P C 0.878 178.238 177.300 0.100 0.000 1.183 166 P CA 1.127 64.279 63.100 0.086 0.000 0.763 166 P CB -0.061 31.678 31.700 0.065 0.000 0.807 167 G N 0.916 109.778 108.800 0.104 0.000 2.135 167 G HA2 -0.160 3.801 3.960 0.002 0.000 0.183 167 G HA3 -0.160 3.801 3.960 0.002 0.000 0.183 167 G C 0.041 175.041 174.900 0.166 0.000 1.004 167 G CA -0.410 44.758 45.100 0.113 0.000 0.677 167 G HN 0.572 nan 8.290 nan 0.000 0.512 168 T N 2.046 116.719 114.554 0.199 0.000 2.749 168 T HA 0.431 4.782 4.350 0.002 0.000 0.295 168 T C 0.083 174.927 174.700 0.240 0.000 0.936 168 T CA -0.261 62.021 62.100 0.304 0.000 1.060 168 T CB 0.696 69.736 68.868 0.287 0.000 0.904 168 T HN 0.272 nan 8.240 nan 0.000 0.500 169 N N 3.918 122.795 118.700 0.296 0.000 2.501 169 N HA 0.274 5.015 4.740 0.002 0.000 0.245 169 N C -0.936 174.758 175.510 0.306 0.000 0.974 169 N CA -0.377 52.841 53.050 0.281 0.000 0.941 169 N CB 1.697 40.357 38.487 0.288 0.000 1.122 169 N HN 0.525 nan 8.380 nan 0.000 0.507 170 L N 3.094 124.444 121.223 0.213 0.000 2.257 170 L HA 0.350 4.691 4.340 0.002 0.000 0.290 170 L C -0.662 176.320 176.870 0.187 0.000 1.044 170 L CA -0.641 54.306 54.840 0.178 0.000 0.810 170 L CB 0.885 42.974 42.059 0.049 0.000 1.193 170 L HN 0.125 nan 8.230 nan 0.000 0.425 171 V N 6.169 126.188 119.914 0.175 0.000 2.275 171 V HA 0.194 4.315 4.120 0.002 0.000 0.272 171 V C 0.136 176.255 176.094 0.043 0.000 1.028 171 V CA -0.624 61.758 62.300 0.136 0.000 0.810 171 V CB 1.379 33.250 31.823 0.081 0.000 1.043 171 V HN 0.420 nan 8.190 nan 0.000 0.453 172 V N 4.316 124.240 119.914 0.017 0.000 2.439 172 V HA 0.128 4.249 4.120 0.002 0.000 0.271 172 V C 0.569 176.607 176.094 -0.093 0.000 1.040 172 V CA -0.207 62.039 62.300 -0.091 0.000 1.002 172 V CB 0.671 32.456 31.823 -0.064 0.000 1.000 172 V HN 0.929 nan 8.190 nan 0.000 0.477 173 C N 4.817 124.030 119.300 -0.144 0.000 2.539 173 C HA 0.678 5.140 4.460 0.002 0.000 0.392 173 C C 0.865 175.777 174.990 -0.129 0.000 1.269 173 C CA -0.331 58.620 59.018 -0.112 0.000 2.250 173 C CB 0.379 28.054 27.740 -0.109 0.000 2.584 173 C HN 1.005 nan 8.230 nan 0.000 0.589 174 T N 0.008 114.511 114.554 -0.086 0.000 2.909 174 T HA 0.788 5.139 4.350 0.002 0.000 0.299 174 T C -1.035 173.626 174.700 -0.064 0.000 1.073 174 T CA -0.514 61.541 62.100 -0.075 0.000 0.999 174 T CB 1.181 70.027 68.868 -0.037 0.000 1.098 174 T HN 0.486 nan 8.240 nan 0.000 0.477 175 V N 1.869 121.745 119.914 -0.064 0.000 3.078 175 V HA 0.726 4.847 4.120 0.002 0.000 0.311 175 V C 0.522 176.618 176.094 0.004 0.000 1.138 175 V CA -1.034 61.241 62.300 -0.041 0.000 1.007 175 V CB 2.296 34.067 31.823 -0.087 0.000 1.045 175 V HN 1.287 nan 8.190 nan 0.000 0.432 176 S N 1.787 117.497 115.700 0.017 0.000 2.579 176 S HA 0.229 4.700 4.470 0.002 0.000 0.275 176 S C 0.840 175.471 174.600 0.052 0.000 1.345 176 S CA -0.187 58.029 58.200 0.027 0.000 1.031 176 S CB 0.799 64.011 63.200 0.020 0.000 0.892 176 S HN 0.741 nan 8.310 nan 0.000 0.529 177 L N 2.444 123.690 121.223 0.037 0.000 1.976 177 L HA 0.135 4.476 4.340 0.002 0.000 0.209 177 L C -1.014 175.867 176.870 0.018 0.000 1.071 177 L CA 1.719 56.575 54.840 0.027 0.000 0.746 177 L CB -1.948 40.106 42.059 -0.008 0.000 0.890 177 L HN 0.549 nan 8.230 nan 0.000 0.432 178 P HA -0.130 nan 4.420 nan 0.000 0.219 178 P C 1.937 179.251 177.300 0.022 0.000 1.146 178 P CA 1.592 64.696 63.100 0.006 0.000 0.808 178 P CB -0.015 31.688 31.700 0.004 0.000 0.779 179 S N -1.876 113.848 115.700 0.040 0.000 2.395 179 S HA -0.162 4.309 4.470 0.002 0.000 0.225 179 S C 1.948 176.600 174.600 0.087 0.000 1.027 179 S CA 0.672 58.899 58.200 0.046 0.000 0.965 179 S CB -0.977 62.242 63.200 0.032 0.000 0.812 179 S HN 0.272 nan 8.310 nan 0.000 0.482 180 H N 0.418 119.469 119.070 -0.032 0.000 2.421 180 H HA 0.100 4.657 4.556 0.002 0.000 0.298 180 H C 1.384 176.685 175.328 -0.046 0.000 1.087 180 H CA 1.226 57.246 56.048 -0.048 0.000 1.330 180 H CB -0.048 29.672 29.762 -0.071 0.000 1.388 180 H HN 0.358 nan 8.280 nan 0.000 0.526 181 L N 0.940 122.194 121.223 0.053 0.000 2.627 181 L HA 0.015 4.356 4.340 0.002 0.000 0.233 181 L C 1.735 178.619 176.870 0.023 0.000 1.144 181 L CA 0.588 55.417 54.840 -0.019 0.000 0.892 181 L CB 0.074 42.097 42.059 -0.060 0.000 1.039 181 L HN 0.365 nan 8.230 nan 0.000 0.442 182 S N -2.045 113.685 115.700 0.051 0.000 2.575 182 S HA 0.101 4.572 4.470 0.002 0.000 0.230 182 S C 1.891 176.523 174.600 0.053 0.000 1.062 182 S CA -0.607 57.617 58.200 0.040 0.000 0.913 182 S CB 0.147 63.364 63.200 0.029 0.000 0.837 182 S HN 0.196 nan 8.310 nan 0.000 0.487 183 R N 1.567 122.110 120.500 0.071 0.000 2.189 183 R HA 0.132 4.473 4.340 0.002 0.000 0.223 183 R C 1.874 178.227 176.300 0.089 0.000 1.092 183 R CA 1.014 57.154 56.100 0.067 0.000 0.989 183 R CB -0.984 29.346 30.300 0.050 0.000 0.876 183 R HN 0.466 nan 8.270 nan 0.000 0.457 184 V N 0.688 120.669 119.914 0.112 0.000 2.365 184 V HA 0.066 4.187 4.120 0.002 0.000 0.232 184 V C 1.785 177.929 176.094 0.082 0.000 1.065 184 V CA 1.269 63.646 62.300 0.129 0.000 1.054 184 V CB -1.171 30.745 31.823 0.156 0.000 0.685 184 V HN 0.365 nan 8.190 nan 0.000 0.480 193 T N -1.480 112.796 114.554 -0.462 0.000 3.159 193 T HA 0.876 5.227 4.350 0.002 0.000 0.343 193 T C -0.507 174.228 174.700 0.058 0.000 1.364 193 T CA 0.181 62.205 62.100 -0.126 0.000 1.102 193 T CB 0.431 69.261 68.868 -0.062 0.000 1.263 193 T HN 2.094 nan 8.240 nan 0.000 0.477 194 V N 2.816 122.761 119.914 0.052 0.000 2.288 194 V HA 0.722 4.843 4.120 0.002 0.000 0.266 194 V C 0.002 176.126 176.094 0.050 0.000 1.048 194 V CA -0.602 61.739 62.300 0.068 0.000 0.842 194 V CB -0.143 31.699 31.823 0.033 0.000 1.064 194 V HN 0.944 nan 8.190 nan 0.000 0.472 195 N N 3.990 122.739 118.700 0.081 0.000 2.461 195 N HA 0.575 5.316 4.740 0.002 0.000 0.284 195 N C 0.316 175.855 175.510 0.048 0.000 1.049 195 N CA -0.841 52.246 53.050 0.061 0.000 0.889 195 N CB 2.213 40.749 38.487 0.083 0.000 1.365 195 N HN 0.359 nan 8.380 nan 0.000 0.499 196 L N 1.766 122.986 121.223 -0.005 0.000 1.976 196 L HA -0.181 4.160 4.340 0.002 0.000 0.223 196 L C -0.612 176.245 176.870 -0.021 0.000 1.081 196 L CA 2.086 56.901 54.840 -0.042 0.000 0.784 196 L CB -1.653 40.379 42.059 -0.045 0.000 0.896 196 L HN 0.504 nan 8.230 nan 0.000 0.438 197 P HA -0.300 nan 4.420 nan 0.000 0.224 197 P C 1.563 178.887 177.300 0.040 0.000 1.153 197 P CA 2.023 65.132 63.100 0.015 0.000 0.947 197 P CB -0.160 31.562 31.700 0.037 0.000 0.790 198 F N -0.524 119.400 119.950 -0.044 0.000 2.113 198 F HA -0.155 4.373 4.527 0.002 0.000 0.297 198 F C 2.146 177.903 175.800 -0.071 0.000 1.103 198 F CA 1.176 59.154 58.000 -0.037 0.000 1.248 198 F CB -0.958 38.068 39.000 0.043 0.000 0.999 198 F HN -0.294 nan 8.300 nan 0.000 0.475 199 V N 0.231 120.095 119.914 -0.084 0.000 2.220 199 V HA -0.374 3.747 4.120 0.002 0.000 0.246 199 V C 2.457 178.398 176.094 -0.256 0.000 1.049 199 V CA 2.262 64.412 62.300 -0.250 0.000 1.003 199 V CB -0.700 30.933 31.823 -0.316 0.000 0.634 199 V HN 0.371 nan 8.190 nan 0.000 0.444 200 M N -0.359 119.127 119.600 -0.190 0.000 2.116 200 M HA -0.204 4.277 4.480 0.002 0.000 0.255 200 M C 1.876 178.069 176.300 -0.178 0.000 1.075 200 M CA 1.906 57.114 55.300 -0.154 0.000 1.087 200 M CB -0.674 31.858 32.600 -0.113 0.000 1.340 200 M HN 0.192 nan 8.290 nan 0.000 0.402 201 V N -0.847 118.926 119.914 -0.235 0.000 2.283 201 V HA -0.231 3.890 4.120 0.002 0.000 0.243 201 V C 2.219 178.108 176.094 -0.341 0.000 1.039 201 V CA 1.531 63.663 62.300 -0.279 0.000 1.016 201 V CB -0.832 30.811 31.823 -0.299 0.000 0.650 201 V HN 0.473 nan 8.190 nan 0.000 0.449 202 L N 0.517 121.438 121.223 -0.503 0.000 2.021 202 L HA -0.240 4.101 4.340 0.002 0.000 0.215 202 L C 2.658 179.407 176.870 -0.201 0.000 1.074 202 L CA 2.067 56.607 54.840 -0.500 0.000 0.760 202 L CB -0.790 40.889 42.059 -0.634 0.000 0.889 202 L HN 0.276 nan 8.230 nan 0.000 0.433 203 R N -0.642 119.780 120.500 -0.130 0.000 2.097 203 R HA -0.217 4.124 4.340 0.002 0.000 0.236 203 R C 2.084 178.369 176.300 -0.024 0.000 1.135 203 R CA 2.007 58.094 56.100 -0.022 0.000 0.934 203 R CB -0.931 29.356 30.300 -0.022 0.000 0.846 203 R HN 0.531 nan 8.270 nan 0.000 0.431 204 N N 0.084 118.734 118.700 -0.083 0.000 2.036 204 N HA -0.187 4.554 4.740 0.002 0.000 0.195 204 N C 1.862 177.320 175.510 -0.087 0.000 1.037 204 N CA 1.735 54.739 53.050 -0.077 0.000 0.855 204 N CB -0.178 38.242 38.487 -0.112 0.000 1.033 204 N HN -0.037 nan 8.380 nan 0.000 0.423 205 V N 0.420 120.236 119.914 -0.163 0.000 2.231 205 V HA -0.305 3.816 4.120 0.002 0.000 0.248 205 V C 1.705 177.688 176.094 -0.185 0.000 1.054 205 V CA 1.759 63.930 62.300 -0.215 0.000 1.015 205 V CB -0.918 30.700 31.823 -0.341 0.000 0.638 205 V HN 0.339 nan 8.190 nan 0.000 0.444 206 Y N -0.545 119.674 120.300 -0.136 0.000 2.139 206 Y HA -0.255 4.296 4.550 0.002 0.000 0.282 206 Y C 2.435 178.293 175.900 -0.069 0.000 1.179 206 Y CA 1.547 59.588 58.100 -0.098 0.000 1.161 206 Y CB -0.470 37.936 38.460 -0.090 0.000 0.970 206 Y HN 0.111 nan 8.280 nan 0.000 0.511 207 I N -0.393 120.235 120.570 0.097 0.000 2.127 207 I HA -0.382 3.789 4.170 0.002 0.000 0.241 207 I C 2.350 178.484 176.117 0.027 0.000 1.075 207 I CA 1.749 63.081 61.300 0.054 0.000 1.334 207 I CB -1.204 36.815 38.000 0.032 0.000 1.040 207 I HN 0.337 nan 8.210 nan 0.000 0.405 208 M N -0.300 119.296 119.600 -0.007 0.000 2.073 208 M HA -0.290 4.191 4.480 0.002 0.000 0.258 208 M C 2.381 178.657 176.300 -0.040 0.000 1.070 208 M CA 1.784 57.069 55.300 -0.025 0.000 1.103 208 M CB -0.568 31.999 32.600 -0.055 0.000 1.321 208 M HN 0.229 nan 8.290 nan 0.000 0.405 209 L N 0.647 121.829 121.223 -0.069 0.000 1.997 209 L HA -0.344 3.997 4.340 0.002 0.000 0.227 209 L C 2.362 179.222 176.870 -0.018 0.000 1.087 209 L CA 1.959 56.755 54.840 -0.074 0.000 0.797 209 L CB -0.428 41.595 42.059 -0.059 0.000 0.902 209 L HN 0.334 nan 8.230 nan 0.000 0.441 210 I N -0.054 120.530 120.570 0.022 0.000 2.087 210 I HA -0.407 3.764 4.170 0.002 0.000 0.240 210 I C 2.239 178.378 176.117 0.036 0.000 1.054 210 I CA 1.835 63.150 61.300 0.024 0.000 1.311 210 I CB -0.719 37.301 38.000 0.034 0.000 1.024 210 I HN 0.452 nan 8.210 nan 0.000 0.402 211 N N 0.459 119.186 118.700 0.046 0.000 2.192 211 N HA -0.163 4.579 4.740 0.002 0.000 0.188 211 N C 1.785 177.372 175.510 0.128 0.000 1.013 211 N CA 1.960 55.060 53.050 0.083 0.000 0.863 211 N CB -0.665 37.865 38.487 0.073 0.000 0.990 211 N HN 0.416 nan 8.380 nan 0.000 0.430 212 T N 1.655 116.250 114.554 0.069 0.000 2.821 212 T HA 0.045 4.396 4.350 0.002 0.000 0.267 212 T C 2.116 176.925 174.700 0.181 0.000 1.046 212 T CA 0.578 62.736 62.100 0.095 0.000 1.139 212 T CB -0.059 68.766 68.868 -0.072 0.000 0.871 212 T HN 0.209 nan 8.240 nan 0.000 0.454 213 I N 0.758 121.384 120.570 0.093 0.000 2.142 213 I HA -0.135 4.037 4.170 0.002 0.000 0.240 213 I C 2.297 178.479 176.117 0.109 0.000 1.078 213 I CA 1.371 62.718 61.300 0.078 0.000 1.343 213 I CB -0.559 37.446 38.000 0.008 0.000 1.046 213 I HN 0.195 nan 8.210 nan 0.000 0.405 214 I N 0.506 121.135 120.570 0.098 0.000 2.099 214 I HA -0.353 3.818 4.170 0.002 0.000 0.239 214 I C 2.632 178.837 176.117 0.146 0.000 1.066 214 I CA 1.754 63.107 61.300 0.088 0.000 1.324 214 I CB -0.590 37.456 38.000 0.076 0.000 1.037 214 I HN 0.128 nan 8.210 nan 0.000 0.401 215 F N 1.545 121.536 119.950 0.068 0.000 2.063 215 F HA -0.308 4.220 4.527 0.002 0.000 0.298 215 F C 2.190 178.054 175.800 0.105 0.000 1.105 215 F CA 1.795 59.852 58.000 0.096 0.000 1.215 215 F CB -0.379 38.710 39.000 0.149 0.000 0.972 215 F HN -0.077 nan 8.300 nan 0.000 0.483 216 L N 0.646 122.142 121.223 0.456 0.000 2.261 216 L HA -0.206 4.135 4.340 0.002 0.000 0.216 216 L C 2.253 179.194 176.870 0.119 0.000 1.114 216 L CA 1.473 56.510 54.840 0.329 0.000 0.777 216 L CB -1.133 41.129 42.059 0.338 0.000 0.910 216 L HN 0.085 nan 8.230 nan 0.000 0.440 217 K N -1.050 119.390 120.400 0.067 0.000 2.147 217 K HA -0.054 4.267 4.320 0.002 0.000 0.205 217 K C 1.817 178.402 176.600 -0.025 0.000 1.049 217 K CA 1.645 57.943 56.287 0.018 0.000 0.936 217 K CB -0.301 32.202 32.500 0.006 0.000 0.722 217 K HN 0.390 nan 8.250 nan 0.000 0.446 218 T N 0.763 115.266 114.554 -0.085 0.000 3.111 218 T HA 0.077 4.428 4.350 0.002 0.000 0.236 218 T C 0.789 175.390 174.700 -0.166 0.000 0.984 218 T CA -0.045 61.980 62.100 -0.125 0.000 1.195 218 T CB 0.063 68.837 68.868 -0.157 0.000 0.929 218 T HN 0.129 nan 8.240 nan 0.000 0.431 219 N N 2.185 120.699 118.700 -0.311 0.000 2.482 219 N HA 0.235 4.976 4.740 0.002 0.000 0.279 219 N C -0.735 174.706 175.510 -0.114 0.000 1.182 219 N CA -0.448 52.419 53.050 -0.304 0.000 0.969 219 N CB 0.984 39.116 38.487 -0.593 0.000 1.201 219 N HN 0.275 nan 8.380 nan 0.000 0.523 220 N N 0.473 119.145 118.700 -0.047 0.000 2.493 220 N HA 0.061 4.802 4.740 0.002 0.000 0.275 220 N C 1.315 176.872 175.510 0.078 0.000 1.186 220 N CA -0.727 52.338 53.050 0.024 0.000 0.978 220 N CB 1.207 39.642 38.487 -0.085 0.000 1.184 220 N HN 0.665 nan 8.380 nan 0.000 0.487 221 W N 2.585 123.836 121.300 -0.082 0.000 2.350 221 W HA -0.133 4.528 4.660 0.002 0.000 0.289 221 W C 0.638 176.944 176.519 -0.354 0.000 1.215 221 W CA 0.531 57.563 57.345 -0.521 0.000 1.236 221 W CB -1.008 27.911 29.460 -0.902 0.000 1.130 221 W HN 0.572 nan 8.180 nan 0.000 0.541 222 H N 1.961 120.363 119.070 -1.112 0.000 2.787 222 H HA 0.345 4.902 4.556 0.002 0.000 0.302 222 H C 1.430 176.549 175.328 -0.349 0.000 1.098 222 H CA 0.372 55.806 56.048 -1.023 0.000 1.192 222 H CB -0.583 28.447 29.762 -1.220 0.000 1.316 222 H HN 0.160 nan 8.280 nan 0.000 0.590 223 A N -0.229 122.610 122.820 0.031 0.000 3.289 223 A HA 0.131 4.452 4.320 0.002 0.000 0.157 223 A C 2.067 179.745 177.584 0.157 0.000 1.293 223 A CA 0.522 52.633 52.037 0.124 0.000 0.896 223 A CB -1.124 18.060 19.000 0.306 0.000 0.998 223 A HN 0.464 nan 8.150 nan 0.000 0.519 224 G N -1.270 107.636 108.800 0.175 0.000 3.375 224 G HA2 0.050 4.011 3.960 0.002 0.000 0.247 224 G HA3 0.050 4.011 3.960 0.002 0.000 0.247 224 G C 0.815 175.777 174.900 0.103 0.000 1.343 224 G CA 0.135 45.303 45.100 0.113 0.000 1.368 224 G HN 0.594 nan 8.290 nan 0.000 0.549 225 W N 0.963 122.241 121.300 -0.037 0.000 2.335 225 W HA -0.117 4.544 4.660 0.002 0.000 0.311 225 W C 0.846 177.312 176.519 -0.087 0.000 1.213 225 W CA 0.961 58.252 57.345 -0.092 0.000 1.274 225 W CB 0.029 29.358 29.460 -0.218 0.000 1.148 225 W HN 0.251 nan 8.180 nan 0.000 0.498 226 N N 0.228 118.980 118.700 0.087 0.000 2.501 226 N HA -0.079 4.662 4.740 0.002 0.000 0.195 226 N C 1.154 176.609 175.510 -0.092 0.000 1.213 226 N CA 1.575 54.611 53.050 -0.023 0.000 0.864 226 N CB -0.065 38.487 38.487 0.108 0.000 0.999 226 N HN 0.275 nan 8.380 nan 0.000 0.454 227 T N -3.502 110.980 114.554 -0.119 0.000 3.043 227 T HA 0.247 4.598 4.350 0.002 0.000 0.272 227 T C 0.442 175.035 174.700 -0.178 0.000 0.990 227 T CA -0.280 61.756 62.100 -0.107 0.000 0.897 227 T CB 0.168 69.009 68.868 -0.044 0.000 1.111 227 T HN -0.055 nan 8.240 nan 0.000 0.529 228 L N 4.053 125.095 121.223 -0.301 0.000 2.278 228 L HA 0.448 4.789 4.340 0.002 0.000 0.287 228 L C 0.424 177.015 176.870 -0.466 0.000 1.072 228 L CA -0.713 53.898 54.840 -0.381 0.000 0.819 228 L CB 1.036 42.788 42.059 -0.512 0.000 1.176 228 L HN 0.428 nan 8.230 nan 0.000 0.435 229 S N 3.294 118.800 115.700 -0.323 0.000 2.572 229 S HA 0.253 4.724 4.470 0.002 0.000 0.279 229 S C 0.007 174.438 174.600 -0.282 0.000 1.341 229 S CA -0.672 57.380 58.200 -0.247 0.000 1.043 229 S CB 0.454 63.566 63.200 -0.147 0.000 0.887 229 S HN 0.271 nan 8.310 nan 0.000 0.516 230 F N 0.413 120.275 119.950 -0.147 0.000 2.587 230 F HA 0.144 4.672 4.527 0.002 0.000 0.327 230 F C 1.506 177.287 175.800 -0.032 0.000 1.232 230 F CA -0.353 57.587 58.000 -0.100 0.000 1.353 230 F CB 0.232 39.208 39.000 -0.040 0.000 1.156 230 F HN 0.731 nan 8.300 nan 0.000 0.599 231 C N 3.979 123.450 119.300 0.285 0.000 2.464 231 C HA 0.375 4.836 4.460 0.002 0.000 0.370 231 C C -0.120 175.043 174.990 0.288 0.000 1.267 231 C CA -0.757 58.458 59.018 0.328 0.000 1.781 231 C CB -2.245 25.719 27.740 0.374 0.000 2.431 231 C HN 0.833 nan 8.230 nan 0.000 0.556 232 N N 2.803 121.665 118.700 0.270 0.000 2.531 232 N HA 0.468 5.209 4.740 0.002 0.000 0.290 232 N C 0.063 175.667 175.510 0.156 0.000 1.257 232 N CA -0.716 52.440 53.050 0.178 0.000 0.863 232 N CB 0.635 39.201 38.487 0.131 0.000 1.320 232 N HN 0.463 nan 8.380 nan 0.000 0.538 233 D N -0.716 119.734 120.400 0.083 0.000 2.219 233 D HA -0.089 4.552 4.640 0.002 0.000 0.205 233 D C 1.532 177.864 176.300 0.054 0.000 0.970 233 D CA 0.842 54.865 54.000 0.038 0.000 0.851 233 D CB -0.045 40.762 40.800 0.012 0.000 0.943 233 D HN 0.317 nan 8.370 nan 0.000 0.488 234 V N 0.525 120.491 119.914 0.086 0.000 2.295 234 V HA -0.244 3.877 4.120 0.002 0.000 0.246 234 V C 1.959 178.148 176.094 0.158 0.000 1.049 234 V CA 1.409 63.764 62.300 0.092 0.000 1.024 234 V CB -0.664 31.210 31.823 0.084 0.000 0.648 234 V HN 0.274 nan 8.190 nan 0.000 0.447 235 F N 1.124 121.075 119.950 0.002 0.000 2.046 235 F HA -0.255 4.273 4.527 0.002 0.000 0.297 235 F C 2.633 178.428 175.800 -0.008 0.000 1.123 235 F CA 1.873 59.874 58.000 0.001 0.000 1.199 235 F CB -0.061 38.947 39.000 0.013 0.000 0.972 235 F HN 0.019 nan 8.300 nan 0.000 0.474 236 K N -0.176 120.171 120.400 -0.088 0.000 2.113 236 K HA -0.245 4.076 4.320 0.002 0.000 0.208 236 K C 2.001 178.511 176.600 -0.150 0.000 1.047 236 K CA 1.484 57.631 56.287 -0.234 0.000 0.928 236 K CB -0.311 32.091 32.500 -0.163 0.000 0.716 236 K HN 0.368 nan 8.250 nan 0.000 0.446 237 Q N 1.144 120.910 119.800 -0.057 0.000 2.061 237 Q HA -0.155 4.186 4.340 0.002 0.000 0.204 237 Q C 1.948 177.926 176.000 -0.037 0.000 0.984 237 Q CA 1.582 57.362 55.803 -0.037 0.000 0.846 237 Q CB -0.159 28.577 28.738 -0.003 0.000 0.902 237 Q HN 0.346 nan 8.270 nan 0.000 0.421 238 K N 0.389 120.785 120.400 -0.007 0.000 2.063 238 K HA -0.078 4.243 4.320 0.002 0.000 0.208 238 K C 2.234 178.803 176.600 -0.052 0.000 1.048 238 K CA 0.891 57.181 56.287 0.005 0.000 0.928 238 K CB -0.249 32.301 32.500 0.083 0.000 0.713 238 K HN 0.156 nan 8.250 nan 0.000 0.442 239 L N 0.964 122.105 121.223 -0.136 0.000 2.349 239 L HA -0.214 4.127 4.340 0.002 0.000 0.220 239 L C 1.958 178.741 176.870 -0.146 0.000 1.130 239 L CA 1.184 55.911 54.840 -0.188 0.000 0.791 239 L CB -0.280 41.566 42.059 -0.354 0.000 0.918 239 L HN 0.273 nan 8.230 nan 0.000 0.444 240 Q N -1.039 118.692 119.800 -0.115 0.000 2.356 240 Q HA 0.008 4.349 4.340 0.002 0.000 0.205 240 Q C 1.529 177.490 176.000 -0.065 0.000 0.901 240 Q CA 0.304 56.054 55.803 -0.089 0.000 0.938 240 Q CB 0.562 29.257 28.738 -0.071 0.000 1.081 240 Q HN 0.453 nan 8.270 nan 0.000 0.517 241 K N -0.647 119.720 120.400 -0.055 0.000 2.354 241 K HA 0.076 4.397 4.320 0.002 0.000 0.210 241 K C 1.848 178.427 176.600 -0.034 0.000 1.184 241 K CA 0.954 57.218 56.287 -0.039 0.000 0.880 241 K CB 0.412 32.897 32.500 -0.025 0.000 1.328 241 K HN -0.003 nan 8.250 nan 0.000 0.466 242 S N 1.028 116.712 115.700 -0.026 0.000 2.548 242 S HA 0.006 4.477 4.470 0.002 0.000 0.215 242 S C 0.543 175.132 174.600 -0.018 0.000 0.976 242 S CA 0.149 58.340 58.200 -0.017 0.000 0.908 242 S CB 0.130 63.329 63.200 -0.002 0.000 0.781 242 S HN 0.382 nan 8.310 nan 0.000 0.519 243 E N 0.333 120.514 120.200 -0.032 0.000 2.389 243 E HA -0.299 4.052 4.350 0.002 0.000 0.243 243 E C 0.840 177.436 176.600 -0.007 0.000 1.154 243 E CA 0.399 56.782 56.400 -0.029 0.000 0.723 243 E CB -2.226 27.458 29.700 -0.026 0.000 1.261 243 E HN 0.843 nan 8.360 nan 0.000 0.390 244 C N -0.289 119.014 119.300 0.004 0.000 3.954 244 C HA -0.043 4.418 4.460 0.002 0.000 0.296 244 C C 1.556 176.565 174.990 0.031 0.000 1.240 244 C CA 0.197 59.230 59.018 0.025 0.000 1.821 244 C CB -1.104 26.666 27.740 0.050 0.000 2.078 244 C HN 0.603 nan 8.230 nan 0.000 0.434 245 I N 2.823 123.422 120.570 0.049 0.000 2.815 245 I HA -0.171 4.000 4.170 0.002 0.000 0.154 245 I C 0.329 176.467 176.117 0.035 0.000 0.904 245 I CA 1.287 62.617 61.300 0.050 0.000 2.718 245 I CB -1.555 36.469 38.000 0.041 0.000 0.629 245 I HN 0.640 nan 8.210 nan 0.000 0.355 246 K N 6.278 126.701 120.400 0.037 0.000 2.159 246 K HA 0.453 4.774 4.320 0.002 0.000 0.266 246 K C 0.023 176.645 176.600 0.037 0.000 0.975 246 K CA -1.001 55.305 56.287 0.033 0.000 0.865 246 K CB 1.990 34.508 32.500 0.030 0.000 1.087 246 K HN 0.413 nan 8.250 nan 0.000 0.446 247 L N 5.220 126.464 121.223 0.034 0.000 2.477 247 L HA 0.078 4.419 4.340 0.002 0.000 0.272 247 L C -0.256 176.638 176.870 0.040 0.000 1.157 247 L CA 0.322 55.185 54.840 0.038 0.000 0.889 247 L CB -0.013 42.067 42.059 0.034 0.000 1.158 247 L HN 0.649 nan 8.230 nan 0.000 0.473 248 R N 3.028 123.556 120.500 0.047 0.000 2.673 248 R HA 0.362 4.703 4.340 0.002 0.000 0.281 248 R C 0.190 176.519 176.300 0.049 0.000 0.991 248 R CA -0.980 55.148 56.100 0.046 0.000 0.896 248 R CB 1.266 31.595 30.300 0.048 0.000 1.201 248 R HN 0.434 nan 8.270 nan 0.000 0.457 249 E N 1.095 121.319 120.200 0.039 0.000 2.119 249 E HA -0.184 4.167 4.350 0.002 0.000 0.221 249 E C 0.391 177.014 176.600 0.038 0.000 1.062 249 E CA 1.706 58.127 56.400 0.034 0.000 0.894 249 E CB -0.115 29.601 29.700 0.028 0.000 0.785 249 E HN 0.379 nan 8.360 nan 0.000 0.472 250 V N 3.932 123.872 119.914 0.043 0.000 2.284 250 V HA 0.171 4.292 4.120 0.002 0.000 0.274 250 V C -2.071 174.074 176.094 0.085 0.000 1.023 250 V CA -1.353 60.975 62.300 0.048 0.000 0.808 250 V CB 1.425 33.264 31.823 0.026 0.000 1.035 250 V HN 0.117 nan 8.190 nan 0.000 0.445 251 P HA 0.313 nan 4.420 nan 0.000 0.272 251 P C 0.008 177.508 177.300 0.333 0.000 1.223 251 P CA 0.214 63.440 63.100 0.210 0.000 0.784 251 P CB 1.570 33.420 31.700 0.250 0.000 0.923 252 G N 1.406 110.389 108.800 0.306 0.000 2.511 252 G HA2 0.307 4.268 3.960 0.002 0.000 0.318 252 G HA3 0.307 4.268 3.960 0.002 0.000 0.318 252 G C 0.867 175.925 174.900 0.263 0.000 1.210 252 G CA -0.702 44.617 45.100 0.365 0.000 0.969 252 G HN 0.406 nan 8.290 nan 0.000 0.484 253 I N 0.653 121.386 120.570 0.273 0.000 2.181 253 I HA -0.184 3.987 4.170 0.002 0.000 0.247 253 I C 2.645 178.693 176.117 -0.116 0.000 1.081 253 I CA 1.804 62.991 61.300 -0.188 0.000 1.340 253 I CB -0.311 37.701 38.000 0.021 0.000 1.036 253 I HN 0.750 nan 8.210 nan 0.000 0.417 254 E N -0.474 119.705 120.200 -0.036 0.000 2.516 254 E HA -0.148 4.203 4.350 0.002 0.000 0.199 254 E C 0.659 177.246 176.600 -0.021 0.000 1.069 254 E CA 0.655 57.020 56.400 -0.058 0.000 0.876 254 E CB -0.382 29.270 29.700 -0.082 0.000 0.843 254 E HN 0.529 nan 8.360 nan 0.000 0.530 255 D N 1.527 121.930 120.400 0.005 0.000 2.369 255 D HA 0.015 4.656 4.640 0.002 0.000 0.211 255 D C 1.020 177.333 176.300 0.022 0.000 1.077 255 D CA 0.534 54.555 54.000 0.035 0.000 0.842 255 D CB 0.669 41.507 40.800 0.063 0.000 0.947 255 D HN 0.329 nan 8.370 nan 0.000 0.509 256 T N -2.302 112.237 114.554 -0.025 0.000 2.920 256 T HA 0.335 4.686 4.350 0.002 0.000 0.292 256 T C 1.476 176.143 174.700 -0.054 0.000 1.093 256 T CA -0.546 61.522 62.100 -0.054 0.000 0.944 256 T CB 0.563 69.359 68.868 -0.120 0.000 1.605 256 T HN -0.144 nan 8.240 nan 0.000 0.590 257 L N -1.036 120.082 121.223 -0.175 0.000 2.477 257 L HA 0.254 4.595 4.340 0.002 0.000 0.220 257 L C 2.150 178.913 176.870 -0.179 0.000 1.106 257 L CA 0.279 54.987 54.840 -0.220 0.000 0.851 257 L CB -0.332 41.508 42.059 -0.365 0.000 0.994 257 L HN 0.502 nan 8.230 nan 0.000 0.462 258 F N 0.542 120.497 119.950 0.008 0.000 2.408 258 F HA -0.136 4.392 4.527 0.002 0.000 0.300 258 F C 2.472 178.326 175.800 0.090 0.000 1.090 258 F CA 0.923 58.998 58.000 0.124 0.000 1.427 258 F CB -0.672 38.423 39.000 0.157 0.000 1.070 258 F HN 0.036 nan 8.300 nan 0.000 0.549 259 A N -0.680 122.238 122.820 0.163 0.000 2.066 259 A HA -0.024 4.297 4.320 0.002 0.000 0.218 259 A C 2.151 179.863 177.584 0.213 0.000 1.157 259 A CA 1.428 53.517 52.037 0.087 0.000 0.670 259 A CB -0.715 18.324 19.000 0.066 0.000 0.804 259 A HN 0.190 nan 8.150 nan 0.000 0.453 260 V N -0.680 119.359 119.914 0.209 0.000 3.590 260 V HA 0.101 4.222 4.120 0.002 0.000 0.265 260 V C 1.847 177.998 176.094 0.095 0.000 1.239 260 V CA 0.623 63.038 62.300 0.191 0.000 1.117 260 V CB -0.015 31.852 31.823 0.073 0.000 0.818 260 V HN 0.527 nan 8.190 nan 0.000 0.451 261 L N -0.239 121.062 121.223 0.131 0.000 2.554 261 L HA 0.187 4.528 4.340 0.002 0.000 0.225 261 L C 1.304 178.364 176.870 0.316 0.000 1.104 261 L CA 0.129 55.069 54.840 0.167 0.000 0.866 261 L CB 0.037 42.223 42.059 0.212 0.000 1.047 261 L HN 0.106 nan 8.230 nan 0.000 0.468 262 K N 2.285 122.817 120.400 0.220 0.000 2.054 262 K HA 0.210 4.531 4.320 0.002 0.000 0.242 262 K C -0.901 175.845 176.600 0.244 0.000 1.157 262 K CA 0.451 56.739 56.287 0.003 0.000 1.079 262 K CB -0.641 31.453 32.500 -0.677 0.000 1.331 262 K HN 0.108 nan 8.250 nan 0.000 0.317 263 L N 5.909 127.343 121.223 0.352 0.000 2.341 263 L HA 0.393 4.734 4.340 0.002 0.000 0.278 263 L C -1.639 175.431 176.870 0.334 0.000 1.005 263 L CA -2.627 52.401 54.840 0.313 0.000 0.818 263 L CB 1.949 44.073 42.059 0.110 0.000 1.259 263 L HN 0.340 nan 8.230 nan 0.000 0.418 264 P HA -0.176 nan 4.420 nan 0.000 0.217 264 P C 0.708 178.063 177.300 0.090 0.000 1.148 264 P CA 1.146 64.237 63.100 -0.015 0.000 0.828 264 P CB 0.327 31.922 31.700 -0.176 0.000 0.783 265 E N -1.237 119.028 120.200 0.109 0.000 2.409 265 E HA -0.044 4.307 4.350 0.002 0.000 0.198 265 E C 1.473 178.190 176.600 0.194 0.000 1.024 265 E CA 0.690 57.159 56.400 0.116 0.000 0.861 265 E CB -0.564 29.181 29.700 0.076 0.000 0.788 265 E HN 0.305 nan 8.360 nan 0.000 0.521 266 L N -0.828 120.546 121.223 0.251 0.000 2.638 266 L HA 0.225 4.566 4.340 0.002 0.000 0.232 266 L C 0.185 177.330 176.870 0.458 0.000 1.099 266 L CA -0.293 54.798 54.840 0.418 0.000 0.883 266 L CB 0.535 42.781 42.059 0.312 0.000 1.136 266 L HN 0.102 nan 8.230 nan 0.000 0.492 267 C N -0.248 119.259 119.300 0.344 0.000 2.401 267 C HA 0.765 5.226 4.460 0.002 0.000 0.356 267 C C 1.207 176.296 174.990 0.166 0.000 1.192 267 C CA -0.892 58.309 59.018 0.306 0.000 2.028 267 C CB 1.109 29.100 27.740 0.418 0.000 2.344 267 C HN 0.425 nan 8.230 nan 0.000 0.525 268 G N -0.389 108.475 108.800 0.105 0.000 2.606 268 G HA2 0.340 4.301 3.960 0.002 0.000 0.262 268 G HA3 0.340 4.301 3.960 0.002 0.000 0.262 268 G C 0.695 175.580 174.900 -0.025 0.000 1.394 268 G CA -0.006 45.087 45.100 -0.012 0.000 1.044 268 G HN 0.850 nan 8.290 nan 0.000 0.553 269 E N -0.804 119.310 120.200 -0.144 0.000 2.035 269 E HA -0.193 4.158 4.350 0.002 0.000 0.204 269 E C 2.047 178.722 176.600 0.125 0.000 1.025 269 E CA 1.546 57.897 56.400 -0.082 0.000 0.835 269 E CB -0.303 29.256 29.700 -0.236 0.000 0.764 269 E HN 0.529 nan 8.360 nan 0.000 0.457 270 F N -0.484 119.507 119.950 0.067 0.000 2.494 270 F HA 0.010 4.538 4.527 0.002 0.000 0.298 270 F C 1.597 177.473 175.800 0.128 0.000 1.106 270 F CA 0.126 58.175 58.000 0.083 0.000 1.452 270 F CB 0.076 39.124 39.000 0.080 0.000 1.085 270 F HN 0.397 nan 8.300 nan 0.000 0.569 271 G N 0.738 109.718 108.800 0.300 0.000 2.140 271 G HA2 -0.234 3.727 3.960 0.002 0.000 0.211 271 G HA3 -0.234 3.727 3.960 0.002 0.000 0.211 271 G C -0.496 174.655 174.900 0.417 0.000 1.013 271 G CA -0.633 44.682 45.100 0.358 0.000 0.705 271 G HN 0.282 nan 8.290 nan 0.000 0.508 272 N N -0.015 118.888 118.700 0.337 0.000 2.443 272 N HA 0.445 5.187 4.740 0.002 0.000 0.295 272 N C 0.294 175.998 175.510 0.324 0.000 1.076 272 N CA -0.585 52.670 53.050 0.342 0.000 0.919 272 N CB 1.901 40.546 38.487 0.262 0.000 1.176 272 N HN 0.403 nan 8.380 nan 0.000 0.487 273 I N 2.756 123.553 120.570 0.378 0.000 2.587 273 I HA -0.022 4.149 4.170 0.002 0.000 0.284 273 I C -0.218 175.998 176.117 0.165 0.000 1.134 273 I CA -0.465 61.031 61.300 0.326 0.000 1.410 273 I CB 0.328 38.492 38.000 0.274 0.000 1.392 273 I HN 0.301 nan 8.210 nan 0.000 0.545 274 L N 10.397 131.688 121.223 0.114 0.000 2.543 274 L HA 0.002 4.343 4.340 0.002 0.000 0.285 274 L C -1.444 175.289 176.870 -0.228 0.000 1.236 274 L CA -0.155 54.617 54.840 -0.114 0.000 0.871 274 L CB -0.414 41.465 42.059 -0.301 0.000 1.121 274 L HN 0.555 nan 8.230 nan 0.000 0.501 275 P HA -0.276 nan 4.420 nan 0.000 0.212 275 P C 1.795 178.668 177.300 -0.711 0.000 1.128 275 P CA 1.609 64.445 63.100 -0.440 0.000 0.961 275 P CB 0.062 31.472 31.700 -0.482 0.000 0.782 276 L N -2.523 118.179 121.223 -0.868 0.000 1.990 276 L HA -0.221 4.120 4.340 0.002 0.000 0.213 276 L C 2.668 179.336 176.870 -0.336 0.000 1.072 276 L CA 1.940 56.304 54.840 -0.792 0.000 0.755 276 L CB -1.162 40.422 42.059 -0.790 0.000 0.889 276 L HN 0.155 nan 8.230 nan 0.000 0.432 277 W N -0.510 120.559 121.300 -0.385 0.000 2.341 277 W HA -0.252 4.409 4.660 0.002 0.000 0.283 277 W C 2.603 178.671 176.519 -0.752 0.000 1.215 277 W CA -0.043 56.946 57.345 -0.594 0.000 1.211 277 W CB -0.339 28.993 29.460 -0.213 0.000 1.131 277 W HN 0.236 nan 8.180 nan 0.000 0.552 278 A N 0.405 123.106 122.820 -0.198 0.000 1.832 278 A HA -0.194 4.127 4.320 0.002 0.000 0.214 278 A C 1.477 179.025 177.584 -0.060 0.000 1.200 278 A CA 1.480 53.436 52.037 -0.135 0.000 0.610 278 A CB -1.480 17.613 19.000 0.155 0.000 0.842 278 A HN 0.326 nan 8.150 nan 0.000 0.444 279 W N 0.074 121.277 121.300 -0.161 0.000 2.292 279 W HA -0.175 4.486 4.660 0.002 0.000 0.304 279 W C 2.479 178.864 176.519 -0.223 0.000 1.228 279 W CA 0.787 58.059 57.345 -0.121 0.000 1.241 279 W CB -1.588 27.829 29.460 -0.073 0.000 1.142 279 W HN 0.402 nan 8.180 nan 0.000 0.520 280 G N -0.274 108.406 108.800 -0.199 0.000 2.433 280 G HA2 -0.267 3.694 3.960 0.002 0.000 0.216 280 G HA3 -0.267 3.694 3.960 0.002 0.000 0.216 280 G C 1.532 176.170 174.900 -0.436 0.000 1.186 280 G CA 1.573 46.395 45.100 -0.463 0.000 0.779 280 G HN 0.013 nan 8.290 nan 0.000 0.543 281 M N 0.299 119.451 119.600 -0.748 0.000 2.108 281 M HA -0.132 4.349 4.480 0.002 0.000 0.257 281 M C 2.311 178.345 176.300 -0.444 0.000 1.071 281 M CA 1.550 56.421 55.300 -0.715 0.000 1.093 281 M CB -0.926 30.628 32.600 -1.743 0.000 1.345 281 M HN 0.237 nan 8.290 nan 0.000 0.403 282 E N 0.645 120.673 120.200 -0.286 0.000 2.033 282 E HA -0.168 4.183 4.350 0.002 0.000 0.199 282 E C 2.009 178.624 176.600 0.025 0.000 1.011 282 E CA 2.738 59.135 56.400 -0.005 0.000 0.815 282 E CB -0.370 29.375 29.700 0.076 0.000 0.755 282 E HN 0.655 nan 8.360 nan 0.000 0.451 283 T N -0.634 113.932 114.554 0.020 0.000 2.746 283 T HA -0.181 4.170 4.350 0.002 0.000 0.267 283 T C 2.057 176.792 174.700 0.057 0.000 1.039 283 T CA 1.381 63.511 62.100 0.051 0.000 1.142 283 T CB -0.590 68.320 68.868 0.071 0.000 0.866 283 T HN 0.260 nan 8.240 nan 0.000 0.444 284 L N 0.822 122.079 121.223 0.056 0.000 2.079 284 L HA -0.104 4.237 4.340 0.002 0.000 0.210 284 L C 2.534 179.439 176.870 0.057 0.000 1.081 284 L CA 1.696 56.567 54.840 0.051 0.000 0.752 284 L CB -0.513 41.583 42.059 0.062 0.000 0.896 284 L HN 0.276 nan 8.230 nan 0.000 0.433 285 S N 0.337 116.101 115.700 0.107 0.000 2.345 285 S HA -0.160 4.311 4.470 0.002 0.000 0.220 285 S C 1.645 176.324 174.600 0.132 0.000 1.031 285 S CA 1.396 59.713 58.200 0.195 0.000 0.996 285 S CB -0.566 62.804 63.200 0.284 0.000 0.882 285 S HN 0.498 nan 8.310 nan 0.000 0.445 286 N N 1.028 119.791 118.700 0.105 0.000 2.069 286 N HA -0.173 4.568 4.740 0.002 0.000 0.196 286 N C 1.932 177.482 175.510 0.066 0.000 1.024 286 N CA 1.412 54.511 53.050 0.081 0.000 0.869 286 N CB -1.079 37.447 38.487 0.065 0.000 1.035 286 N HN 0.526 nan 8.380 nan 0.000 0.434 287 C N 0.055 119.387 119.300 0.054 0.000 2.548 287 C HA -0.004 4.457 4.460 0.002 0.000 0.284 287 C C 2.586 177.583 174.990 0.011 0.000 1.252 287 C CA 0.385 59.423 59.018 0.033 0.000 1.725 287 C CB -1.228 26.521 27.740 0.015 0.000 2.098 287 C HN 0.388 nan 8.230 nan 0.000 0.471 288 L N 1.399 122.621 121.223 -0.002 0.000 2.089 288 L HA -0.140 4.201 4.340 0.002 0.000 0.213 288 L C 2.786 179.667 176.870 0.018 0.000 1.079 288 L CA 2.246 57.075 54.840 -0.019 0.000 0.758 288 L CB -1.102 40.947 42.059 -0.017 0.000 0.891 288 L HN 0.483 nan 8.230 nan 0.000 0.433 289 R N -1.289 119.247 120.500 0.060 0.000 2.120 289 R HA -0.119 4.222 4.340 0.002 0.000 0.234 289 R C 2.234 178.558 176.300 0.041 0.000 1.123 289 R CA 1.371 57.512 56.100 0.069 0.000 0.975 289 R CB -0.044 30.313 30.300 0.095 0.000 0.866 289 R HN 0.310 nan 8.270 nan 0.000 0.446 290 S N 0.427 116.150 115.700 0.038 0.000 2.402 290 S HA -0.044 4.428 4.470 0.002 0.000 0.229 290 S C 0.804 175.421 174.600 0.028 0.000 1.021 290 S CA 0.737 58.961 58.200 0.040 0.000 0.974 290 S CB -0.080 63.154 63.200 0.056 0.000 0.800 290 S HN 0.291 nan 8.310 nan 0.000 0.484 291 M N 1.954 121.557 119.600 0.005 0.000 2.249 291 M HA 0.052 4.533 4.480 0.002 0.000 0.340 291 M C -0.346 175.925 176.300 -0.049 0.000 1.166 291 M CA 0.365 55.656 55.300 -0.015 0.000 1.115 291 M CB 0.296 32.859 32.600 -0.062 0.000 1.606 291 M HN -0.055 nan 8.290 nan 0.000 0.448 292 S N 4.499 120.160 115.700 -0.064 0.000 2.474 292 S HA 0.384 4.855 4.470 0.002 0.000 0.320 292 S C -2.314 172.051 174.600 -0.393 0.000 1.067 292 S CA -1.270 56.804 58.200 -0.209 0.000 1.127 292 S CB 0.309 63.441 63.200 -0.113 0.000 0.971 292 S HN 0.426 nan 8.310 nan 0.000 0.472 293 P HA 0.392 nan 4.420 nan 0.000 0.276 293 P C -1.082 175.848 177.300 -0.616 0.000 1.235 293 P CA -0.225 62.659 63.100 -0.360 0.000 0.772 293 P CB 0.299 31.888 31.700 -0.185 0.000 0.871 294 F N 1.089 121.047 119.950 0.013 0.000 2.591 294 F HA 0.354 4.882 4.527 0.002 0.000 0.309 294 F C -0.200 175.595 175.800 -0.008 0.000 1.098 294 F CA -1.162 56.838 58.000 0.001 0.000 0.937 294 F CB 2.344 41.339 39.000 -0.009 0.000 1.250 294 F HN -0.025 nan 8.300 nan 0.000 0.447 295 V N 4.078 124.111 119.914 0.199 0.000 2.448 295 V HA 0.478 4.599 4.120 0.002 0.000 0.295 295 V C -0.857 175.273 176.094 0.061 0.000 1.025 295 V CA -0.699 61.655 62.300 0.090 0.000 0.859 295 V CB 1.978 33.837 31.823 0.061 0.000 0.988 295 V HN 0.601 nan 8.190 nan 0.000 0.431 296 L N 4.459 125.693 121.223 0.018 0.000 2.349 296 L HA 0.627 4.968 4.340 0.002 0.000 0.278 296 L C 0.040 176.901 176.870 -0.015 0.000 0.996 296 L CA -0.109 54.726 54.840 -0.008 0.000 0.825 296 L CB 2.027 44.063 42.059 -0.037 0.000 1.243 296 L HN 0.673 nan 8.230 nan 0.000 0.412 297 S N 4.908 120.606 115.700 -0.003 0.000 2.489 297 S HA 0.399 4.870 4.470 0.002 0.000 0.277 297 S C 0.481 175.082 174.600 0.001 0.000 1.230 297 S CA -0.570 57.629 58.200 -0.002 0.000 1.053 297 S CB 0.602 63.810 63.200 0.013 0.000 0.955 297 S HN 0.724 nan 8.310 nan 0.000 0.488 298 L N 3.732 124.947 121.223 -0.014 0.000 2.848 298 L HA 0.339 4.680 4.340 0.002 0.000 0.240 298 L C 0.643 177.511 176.870 -0.004 0.000 1.232 298 L CA -0.014 54.820 54.840 -0.009 0.000 1.031 298 L CB -0.068 41.971 42.059 -0.032 0.000 1.338 298 L HN 0.593 nan 8.230 nan 0.000 0.509 299 E N 2.771 122.975 120.200 0.007 0.000 2.110 299 E HA 0.154 4.505 4.350 0.002 0.000 0.300 299 E C -0.228 176.385 176.600 0.021 0.000 1.278 299 E CA -0.029 56.377 56.400 0.010 0.000 1.365 299 E CB -0.022 29.687 29.700 0.014 0.000 1.283 299 E HN 0.500 nan 8.360 nan 0.000 0.490 300 Q N -0.749 119.056 119.800 0.009 0.000 3.104 300 Q HA 0.101 4.442 4.340 0.002 0.000 0.331 300 Q C -0.982 174.990 176.000 -0.046 0.000 0.844 300 Q CA -0.952 54.843 55.803 -0.013 0.000 0.870 300 Q CB -0.570 28.194 28.738 0.043 0.000 1.484 300 Q HN 0.172 nan 8.270 nan 0.000 0.489 301 T N -1.928 112.544 114.554 -0.137 0.000 2.928 301 T HA 0.201 4.552 4.350 0.002 0.000 0.305 301 T C -1.929 172.746 174.700 -0.041 0.000 1.035 301 T CA -0.476 61.549 62.100 -0.126 0.000 1.145 301 T CB 0.322 69.051 68.868 -0.231 0.000 0.963 301 T HN 0.385 nan 8.240 nan 0.000 0.545 302 P HA -0.175 nan 4.420 nan 0.000 0.217 302 P C 1.627 178.973 177.300 0.078 0.000 1.148 302 P CA 1.060 64.180 63.100 0.033 0.000 0.834 302 P CB 0.056 31.767 31.700 0.018 0.000 0.783 303 Q N -1.635 118.199 119.800 0.057 0.000 2.030 303 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 303 Q C 2.171 178.338 176.000 0.279 0.000 0.986 303 Q CA 1.722 57.605 55.803 0.132 0.000 0.843 303 Q CB -1.043 27.753 28.738 0.097 0.000 0.904 303 Q HN 0.526 nan 8.270 nan 0.000 0.420 304 H N -0.841 118.280 119.070 0.085 0.000 2.290 304 H HA -0.124 4.433 4.556 0.001 0.000 0.298 304 H C 1.958 177.340 175.328 0.090 0.000 1.087 304 H CA 0.501 56.602 56.048 0.088 0.000 1.291 304 H CB -0.059 29.737 29.762 0.056 0.000 1.369 304 H HN 0.371 nan 8.280 nan 0.000 0.492 305 A N 1.442 124.384 122.820 0.204 0.000 1.915 305 A HA -0.294 4.028 4.320 0.002 0.000 0.220 305 A C 2.597 180.243 177.584 0.104 0.000 1.198 305 A CA 2.150 54.253 52.037 0.110 0.000 0.647 305 A CB -1.080 17.962 19.000 0.069 0.000 0.825 305 A HN 0.517 nan 8.150 nan 0.000 0.456 306 A N -1.428 121.507 122.820 0.191 0.000 1.929 306 A HA -0.150 4.171 4.320 0.002 0.000 0.216 306 A C 2.194 180.044 177.584 0.442 0.000 1.176 306 A CA 1.727 53.959 52.037 0.325 0.000 0.628 306 A CB -0.542 18.777 19.000 0.532 0.000 0.816 306 A HN 0.689 nan 8.150 nan 0.000 0.444 307 Q N -0.333 119.700 119.800 0.387 0.000 2.084 307 Q HA -0.248 4.093 4.340 0.002 0.000 0.202 307 Q C 2.056 178.153 176.000 0.163 0.000 0.978 307 Q CA 1.925 57.931 55.803 0.338 0.000 0.844 307 Q CB -0.177 28.703 28.738 0.238 0.000 0.898 307 Q HN 0.798 nan 8.270 nan 0.000 0.426 308 E N -0.096 120.160 120.200 0.093 0.000 2.038 308 E HA -0.239 4.112 4.350 0.002 0.000 0.195 308 E C 2.047 178.626 176.600 -0.034 0.000 1.000 308 E CA 1.251 57.660 56.400 0.015 0.000 0.803 308 E CB -0.217 29.488 29.700 0.009 0.000 0.750 308 E HN 0.368 nan 8.360 nan 0.000 0.448 309 L N 1.871 123.049 121.223 -0.075 0.000 2.089 309 L HA -0.241 4.100 4.340 0.002 0.000 0.213 309 L C 2.251 179.019 176.870 -0.169 0.000 1.079 309 L CA 2.104 56.810 54.840 -0.223 0.000 0.758 309 L CB -0.548 41.217 42.059 -0.490 0.000 0.891 309 L HN 0.077 nan 8.230 nan 0.000 0.433 310 K N -1.015 119.392 120.400 0.013 0.000 2.057 310 K HA -0.201 4.120 4.320 0.002 0.000 0.207 310 K C 2.036 178.601 176.600 -0.058 0.000 1.049 310 K CA 1.852 58.160 56.287 0.034 0.000 0.931 310 K CB -0.363 32.122 32.500 -0.025 0.000 0.714 310 K HN 0.632 nan 8.250 nan 0.000 0.440 311 T N -0.509 114.011 114.554 -0.057 0.000 2.897 311 T HA -0.115 4.236 4.350 0.002 0.000 0.271 311 T C 1.682 176.320 174.700 -0.104 0.000 1.084 311 T CA 0.947 63.007 62.100 -0.067 0.000 1.123 311 T CB -0.078 68.762 68.868 -0.048 0.000 0.865 311 T HN 0.101 nan 8.240 nan 0.000 0.496 312 L N 0.307 121.427 121.223 -0.172 0.000 2.270 312 L HA 0.376 4.717 4.340 0.002 0.000 0.210 312 L C 2.468 179.144 176.870 -0.324 0.000 1.104 312 L CA 0.686 55.338 54.840 -0.314 0.000 0.804 312 L CB -0.700 41.063 42.059 -0.492 0.000 0.937 312 L HN 0.269 nan 8.230 nan 0.000 0.450 313 L N 0.698 121.798 121.223 -0.206 0.000 2.064 313 L HA -0.235 4.106 4.340 0.002 0.000 0.216 313 L C -0.193 176.609 176.870 -0.114 0.000 1.077 313 L CA 1.659 56.408 54.840 -0.152 0.000 0.766 313 L CB -2.153 39.892 42.059 -0.024 0.000 0.890 313 L HN 0.313 nan 8.230 nan 0.000 0.435 314 P HA -0.156 nan 4.420 nan 0.000 0.226 314 P C 1.137 178.440 177.300 0.005 0.000 1.153 314 P CA 1.244 64.361 63.100 0.028 0.000 0.777 314 P CB 0.068 31.787 31.700 0.032 0.000 0.794 315 Q N -1.091 118.681 119.800 -0.048 0.000 2.398 315 Q HA 0.166 4.508 4.340 0.002 0.000 0.204 315 Q C 1.110 177.217 176.000 0.179 0.000 0.932 315 Q CA 0.144 55.977 55.803 0.050 0.000 0.916 315 Q CB -0.118 28.651 28.738 0.052 0.000 1.024 315 Q HN 0.361 nan 8.270 nan 0.000 0.504 316 M N 0.982 120.598 119.600 0.026 0.000 2.240 316 M HA 0.100 4.581 4.480 0.002 0.000 0.333 316 M C 0.027 176.386 176.300 0.099 0.000 1.110 316 M CA 0.287 55.684 55.300 0.162 0.000 1.173 316 M CB 0.789 33.374 32.600 -0.026 0.000 1.458 316 M HN -0.168 nan 8.290 nan 0.000 0.458 317 T N 4.081 118.718 114.554 0.137 0.000 2.794 317 T HA 0.359 4.710 4.350 0.002 0.000 0.296 317 T C -2.241 172.474 174.700 0.025 0.000 0.949 317 T CA -0.913 61.230 62.100 0.072 0.000 1.101 317 T CB 0.270 69.186 68.868 0.079 0.000 0.905 317 T HN 0.436 nan 8.240 nan 0.000 0.516 318 P HA 0.656 nan 4.420 nan 0.000 0.287 318 P C -1.452 175.860 177.300 0.020 0.000 1.270 318 P CA -0.754 62.328 63.100 -0.030 0.000 0.844 318 P CB 1.464 33.136 31.700 -0.048 0.000 1.068 319 A N 2.222 125.059 122.820 0.027 0.000 2.430 319 A HA 0.651 4.972 4.320 0.002 0.000 0.300 319 A C -0.606 177.008 177.584 0.049 0.000 1.124 319 A CA -0.744 51.322 52.037 0.049 0.000 0.766 319 A CB 0.924 19.964 19.000 0.066 0.000 1.328 319 A HN 0.545 nan 8.150 nan 0.000 0.424 320 N N 0.883 119.614 118.700 0.051 0.000 2.399 320 N HA 0.694 5.435 4.740 0.002 0.000 0.295 320 N C -0.653 174.893 175.510 0.059 0.000 1.048 320 N CA -0.135 52.944 53.050 0.049 0.000 0.886 320 N CB 1.623 40.134 38.487 0.040 0.000 1.185 320 N HN 0.857 nan 8.380 nan 0.000 0.487 321 M N -1.602 118.037 119.600 0.066 0.000 2.520 321 M HA 0.414 4.895 4.480 0.002 0.000 0.280 321 M C -0.576 175.774 176.300 0.082 0.000 1.232 321 M CA -0.828 54.523 55.300 0.084 0.000 0.892 321 M CB 1.966 34.642 32.600 0.127 0.000 1.728 321 M HN 0.233 nan 8.290 nan 0.000 0.475 322 S N 1.358 117.107 115.700 0.081 0.000 2.563 322 S HA 0.037 4.508 4.470 0.002 0.000 0.294 322 S C 1.093 175.757 174.600 0.106 0.000 1.279 322 S CA 0.633 58.878 58.200 0.075 0.000 1.069 322 S CB 0.661 63.901 63.200 0.066 0.000 0.828 322 S HN 0.870 nan 8.310 nan 0.000 0.497 323 S N 4.252 119.999 115.700 0.078 0.000 2.370 323 S HA -0.088 4.383 4.470 0.002 0.000 0.226 323 S C 2.006 176.694 174.600 0.146 0.000 1.033 323 S CA 1.954 60.208 58.200 0.090 0.000 1.011 323 S CB -1.071 62.153 63.200 0.041 0.000 0.852 323 S HN 0.971 nan 8.310 nan 0.000 0.457 324 G N 0.850 109.712 108.800 0.103 0.000 2.446 324 G HA2 -0.097 3.864 3.960 0.002 0.000 0.217 324 G HA3 -0.097 3.864 3.960 0.002 0.000 0.217 324 G C 1.729 176.695 174.900 0.110 0.000 1.168 324 G CA 1.100 46.257 45.100 0.096 0.000 0.771 324 G HN 0.731 nan 8.290 nan 0.000 0.551 325 A N 0.582 123.467 122.820 0.109 0.000 1.892 325 A HA -0.153 4.168 4.320 0.002 0.000 0.218 325 A C 2.181 179.836 177.584 0.118 0.000 1.188 325 A CA 1.775 53.868 52.037 0.094 0.000 0.631 325 A CB -0.975 18.078 19.000 0.089 0.000 0.822 325 A HN 0.641 nan 8.150 nan 0.000 0.447 326 W N 1.435 122.742 121.300 0.012 0.000 2.318 326 W HA -0.239 4.422 4.660 0.002 0.000 0.313 326 W C 1.602 178.128 176.519 0.012 0.000 1.221 326 W CA 2.180 59.533 57.345 0.013 0.000 1.266 326 W CB -0.574 28.896 29.460 0.017 0.000 1.150 326 W HN 0.423 nan 8.180 nan 0.000 0.496 327 N N 0.839 119.630 118.700 0.153 0.000 2.166 327 N HA -0.183 4.558 4.740 0.002 0.000 0.186 327 N C 1.843 177.318 175.510 -0.058 0.000 1.019 327 N CA 2.006 55.083 53.050 0.045 0.000 0.856 327 N CB -0.688 37.869 38.487 0.117 0.000 0.993 327 N HN 0.310 nan 8.380 nan 0.000 0.426 328 I N 0.752 121.303 120.570 -0.032 0.000 2.110 328 I HA -0.256 3.915 4.170 0.002 0.000 0.236 328 I C 2.349 178.404 176.117 -0.103 0.000 1.068 328 I CA 0.559 61.832 61.300 -0.046 0.000 1.333 328 I CB -0.358 37.633 38.000 -0.015 0.000 1.054 328 I HN 0.030 nan 8.210 nan 0.000 0.402 329 L N 1.321 122.465 121.223 -0.131 0.000 2.030 329 L HA -0.328 4.013 4.340 0.002 0.000 0.222 329 L C 2.432 179.153 176.870 -0.249 0.000 1.082 329 L CA 2.060 56.790 54.840 -0.184 0.000 0.785 329 L CB -0.760 41.162 42.059 -0.229 0.000 0.895 329 L HN 0.137 nan 8.230 nan 0.000 0.439 330 K N -0.769 119.406 120.400 -0.375 0.000 2.044 330 K HA -0.274 4.047 4.320 0.002 0.000 0.210 330 K C 2.138 178.629 176.600 -0.182 0.000 1.049 330 K CA 1.986 58.065 56.287 -0.347 0.000 0.927 330 K CB -0.388 31.886 32.500 -0.377 0.000 0.713 330 K HN 0.585 nan 8.250 nan 0.000 0.443 331 E N 1.211 121.332 120.200 -0.132 0.000 2.051 331 E HA -0.198 4.153 4.350 0.002 0.000 0.192 331 E C 2.127 178.685 176.600 -0.070 0.000 0.991 331 E CA 1.049 57.402 56.400 -0.078 0.000 0.799 331 E CB -0.023 29.646 29.700 -0.053 0.000 0.748 331 E HN 0.240 nan 8.360 nan 0.000 0.449 332 L N 0.466 121.643 121.223 -0.078 0.000 1.989 332 L HA -0.201 4.140 4.340 0.002 0.000 0.211 332 L C 2.718 179.546 176.870 -0.070 0.000 1.071 332 L CA 1.034 55.835 54.840 -0.064 0.000 0.749 332 L CB -0.740 41.279 42.059 -0.065 0.000 0.890 332 L HN 0.061 nan 8.230 nan 0.000 0.431 333 V N 0.391 120.247 119.914 -0.096 0.000 2.324 333 V HA -0.319 3.802 4.120 0.002 0.000 0.250 333 V C 2.225 178.277 176.094 -0.070 0.000 1.060 333 V CA 2.367 64.612 62.300 -0.093 0.000 1.042 333 V CB -0.889 30.858 31.823 -0.127 0.000 0.650 333 V HN 0.528 nan 8.190 nan 0.000 0.450 334 N N 0.282 118.940 118.700 -0.070 0.000 2.270 334 N HA -0.058 4.684 4.740 0.002 0.000 0.181 334 N C 1.664 177.155 175.510 -0.032 0.000 1.016 334 N CA 1.198 54.220 53.050 -0.047 0.000 0.870 334 N CB -0.239 38.221 38.487 -0.045 0.000 0.979 334 N HN 0.416 nan 8.380 nan 0.000 0.431 335 A N -0.086 122.714 122.820 -0.033 0.000 2.015 335 A HA -0.039 4.282 4.320 0.002 0.000 0.219 335 A C 2.078 179.659 177.584 -0.005 0.000 1.163 335 A CA 1.737 53.763 52.037 -0.019 0.000 0.646 335 A CB -0.555 18.434 19.000 -0.019 0.000 0.806 335 A HN 0.325 nan 8.150 nan 0.000 0.448 336 V N -4.688 115.221 119.914 -0.008 0.000 3.621 336 V HA 0.181 4.302 4.120 0.002 0.000 0.263 336 V C 0.792 176.897 176.094 0.018 0.000 1.272 336 V CA 0.366 62.679 62.300 0.021 0.000 1.080 336 V CB 0.020 31.843 31.823 0.000 0.000 0.816 336 V HN 0.335 nan 8.190 nan 0.000 0.451 337 Q N 1.559 121.351 119.800 -0.013 0.000 2.375 337 Q HA 0.457 4.798 4.340 0.002 0.000 0.316 337 Q C -0.742 175.249 176.000 -0.014 0.000 0.927 337 Q CA 0.294 56.085 55.803 -0.020 0.000 1.029 337 Q CB 0.548 29.266 28.738 -0.034 0.000 1.202 337 Q HN 0.846 nan 8.270 nan 0.000 0.431 338 D N 0.000 120.394 120.400 -0.010 0.000 6.856 338 D HA 0.000 4.641 4.640 0.002 0.000 0.175 338 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 338 D CB 0.000 40.794 40.800 -0.011 0.000 0.688 338 D HN 0.000 nan 8.370 nan 0.000 0.683