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 1mpc_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPR AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.561 176.600 -0.065 0.000 0.988 1 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 1 K CB 0.000 32.469 32.500 -0.051 0.000 1.064 2 I N 4.486 125.009 120.570 -0.078 0.000 2.692 2 I HA -0.058 nan 4.170 nan 0.000 0.284 2 I C -0.303 175.779 176.117 -0.057 0.000 1.159 2 I CA 0.561 61.814 61.300 -0.079 0.000 1.423 2 I CB 0.781 38.722 38.000 -0.099 0.000 1.380 2 I HN 0.140 8.297 8.210 -0.087 0.000 0.580 3 E N 5.085 125.255 120.200 -0.050 0.000 2.354 3 E HA -0.019 nan 4.350 nan 0.000 0.269 3 E C -1.227 175.352 176.600 -0.034 0.000 1.036 3 E CA -0.149 56.230 56.400 -0.036 0.000 0.876 3 E CB 0.636 30.319 29.700 -0.028 0.000 1.009 3 E HN 0.068 8.396 8.360 -0.053 0.000 0.416 4 E N 1.754 121.938 120.200 -0.025 0.000 2.283 4 E HA -0.037 nan 4.350 nan 0.000 0.271 4 E C 0.605 177.198 176.600 -0.011 0.000 1.031 4 E CA -0.243 56.146 56.400 -0.019 0.000 0.868 4 E CB 0.958 30.648 29.700 -0.016 0.000 1.094 4 E HN 0.038 8.384 8.360 -0.023 0.000 0.401 5 G N 4.008 112.806 108.800 -0.004 0.000 2.182 5 G HA2 -0.457 nan 3.960 nan 0.000 0.248 5 G HA3 -0.457 nan 3.960 nan 0.000 0.248 5 G C -2.201 172.704 174.900 0.009 0.000 1.042 5 G CA 0.358 45.462 45.100 0.006 0.000 0.775 5 G HN 0.528 9.116 8.290 -0.003 -0.300 0.501 6 K N -1.969 118.431 120.400 0.001 0.000 2.587 6 K HA 0.534 nan 4.320 nan 0.000 0.276 6 K C -2.151 174.425 176.600 -0.039 0.000 0.956 6 K CA -0.724 55.558 56.287 -0.008 0.000 0.857 6 K CB 2.970 35.462 32.500 -0.014 0.000 1.431 6 K HN -0.915 7.496 8.250 -0.006 -0.164 0.420 7 L N 3.549 124.730 121.223 -0.070 0.000 2.356 7 L HA 0.440 nan 4.340 nan 0.000 0.277 7 L C -1.783 175.012 176.870 -0.126 0.000 0.996 7 L CA -1.046 53.706 54.840 -0.146 0.000 0.822 7 L CB 3.203 45.083 42.059 -0.299 0.000 1.256 7 L HN 0.531 8.731 8.230 -0.050 0.000 0.413 8 V N 4.434 124.280 119.914 -0.113 0.000 2.448 8 V HA 0.741 nan 4.120 nan 0.000 0.295 8 V C -1.445 174.609 176.094 -0.066 0.000 1.025 8 V CA -1.226 61.034 62.300 -0.066 0.000 0.859 8 V CB 2.078 33.863 31.823 -0.064 0.000 0.988 8 V HN 0.264 8.655 8.190 -0.126 -0.277 0.431 9 I N 4.112 124.711 120.570 0.049 0.000 2.465 9 I HA 0.640 nan 4.170 nan 0.000 0.291 9 I C -1.881 174.476 176.117 0.400 0.000 1.014 9 I CA -1.306 60.092 61.300 0.164 0.000 1.093 9 I CB 3.289 41.392 38.000 0.172 0.000 1.267 9 I HN 0.874 9.134 8.210 0.083 0.000 0.431 10 W N 6.327 127.728 121.300 0.168 0.000 2.475 10 W HA 0.730 nan 4.660 nan 0.000 0.317 10 W C -1.896 174.792 176.519 0.281 0.000 1.046 10 W CA -2.147 55.298 57.345 0.166 0.000 1.215 10 W CB 1.587 31.123 29.460 0.126 0.000 1.335 10 W HN 0.441 8.868 8.180 0.412 0.000 0.471 11 I N 2.396 123.200 120.570 0.390 0.000 2.894 11 I HA 0.128 nan 4.170 nan 0.000 0.302 11 I C -2.382 173.888 176.117 0.255 0.000 1.188 11 I CA -2.314 59.179 61.300 0.321 0.000 1.014 11 I CB 4.407 42.449 38.000 0.071 0.000 1.242 11 I HN 0.341 8.720 8.210 0.282 0.000 0.430 12 N N 5.208 124.073 118.700 0.276 0.000 2.416 12 N HA -0.066 nan 4.740 nan 0.000 0.246 12 N C 1.424 177.019 175.510 0.142 0.000 1.260 12 N CA 0.039 53.231 53.050 0.236 0.000 0.897 12 N CB 0.596 39.189 38.487 0.176 0.000 1.110 12 N HN 0.384 8.937 8.380 0.289 0.000 0.439 13 G N -0.212 108.656 108.800 0.114 0.000 2.559 13 G HA2 -0.282 nan 3.960 nan 0.000 0.216 13 G HA3 -0.282 nan 3.960 nan 0.000 0.216 13 G C -0.687 174.285 174.900 0.121 0.000 1.126 13 G CA 1.750 46.877 45.100 0.046 0.000 0.778 13 G HN 0.595 8.967 8.290 0.137 0.000 0.543 14 D N -4.385 116.057 120.400 0.070 0.000 2.342 14 D HA 0.069 nan 4.640 nan 0.000 0.221 14 D C -0.329 175.966 176.300 -0.009 0.000 1.101 14 D CA -0.714 53.298 54.000 0.020 0.000 0.837 14 D CB -1.072 39.718 40.800 -0.017 0.000 0.938 14 D HN -0.126 8.219 8.370 0.060 0.061 0.508 15 K N -0.928 119.489 120.400 0.029 0.000 2.288 15 K HA 0.313 nan 4.320 nan 0.000 0.234 15 K C 0.776 177.344 176.600 -0.052 0.000 1.037 15 K CA -1.590 54.685 56.287 -0.021 0.000 0.914 15 K CB 1.951 34.434 32.500 -0.027 0.000 1.197 15 K HN -0.501 7.737 8.250 0.105 0.075 0.471 16 G N 0.126 108.867 108.800 -0.097 0.000 3.213 16 G HA2 0.258 nan 3.960 nan 0.000 0.263 16 G HA3 0.258 nan 3.960 nan 0.000 0.263 16 G C 0.194 175.012 174.900 -0.137 0.000 0.829 16 G CA -0.311 44.688 45.100 -0.169 0.000 1.983 16 G HN 0.586 8.825 8.290 -0.084 0.000 0.616 17 Y N 1.491 121.731 120.300 -0.100 0.000 2.439 17 Y HA -0.340 nan 4.550 nan 0.000 0.292 17 Y C 1.001 176.888 175.900 -0.022 0.000 1.130 17 Y CA 1.705 59.764 58.100 -0.068 0.000 1.254 17 Y CB -0.875 37.550 38.460 -0.058 0.000 1.000 17 Y HN -0.332 7.715 8.280 -0.313 0.045 0.554 18 N N 1.394 119.974 118.700 -0.200 0.000 2.300 18 N HA -0.199 nan 4.740 nan 0.000 0.179 18 N C 2.282 177.781 175.510 -0.020 0.000 1.016 18 N CA 3.288 56.304 53.050 -0.057 0.000 0.876 18 N CB -0.346 38.044 38.487 -0.162 0.000 0.979 18 N HN -0.131 8.044 8.380 -0.638 -0.178 0.432 19 G N 0.549 109.312 108.800 -0.061 0.000 2.418 19 G HA2 -0.249 nan 3.960 nan 0.000 0.217 19 G HA3 -0.249 nan 3.960 nan 0.000 0.217 19 G C 0.911 175.827 174.900 0.027 0.000 1.158 19 G CA 1.716 46.804 45.100 -0.020 0.000 0.771 19 G HN -0.370 8.121 8.290 -0.130 -0.279 0.545 20 L N 1.156 122.400 121.223 0.035 0.000 2.083 20 L HA -0.260 nan 4.340 nan 0.000 0.209 20 L C 1.686 178.655 176.870 0.165 0.000 1.083 20 L CA 2.380 57.276 54.840 0.094 0.000 0.752 20 L CB -0.438 41.645 42.059 0.041 0.000 0.899 20 L HN -0.447 7.785 8.230 0.004 0.000 0.433 21 A N -1.743 121.161 122.820 0.140 0.000 1.969 21 A HA -0.292 nan 4.320 nan 0.000 0.218 21 A C 2.265 179.931 177.584 0.137 0.000 1.169 21 A CA 3.139 55.262 52.037 0.143 0.000 0.635 21 A CB -0.985 18.099 19.000 0.140 0.000 0.810 21 A HN -0.260 7.871 8.150 0.124 0.093 0.445 22 E N -1.869 118.398 120.200 0.113 0.000 2.106 22 E HA -0.212 nan 4.350 nan 0.000 0.192 22 E C 2.637 179.322 176.600 0.142 0.000 0.984 22 E CA 2.803 59.265 56.400 0.104 0.000 0.806 22 E CB -0.163 29.577 29.700 0.066 0.000 0.750 22 E HN -0.496 7.794 8.360 0.093 0.126 0.458 23 V N -0.961 119.052 119.914 0.164 0.000 2.515 23 V HA -0.233 nan 4.120 nan 0.000 0.250 23 V C 2.127 178.438 176.094 0.363 0.000 1.058 23 V CA 4.059 66.484 62.300 0.209 0.000 1.064 23 V CB -0.826 31.072 31.823 0.125 0.000 0.675 23 V HN -0.252 7.935 8.190 0.144 0.089 0.461 24 G N -1.157 107.869 108.800 0.377 0.000 2.403 24 G HA2 -0.297 nan 3.960 nan 0.000 0.216 24 G HA3 -0.297 nan 3.960 nan 0.000 0.216 24 G C 0.906 175.971 174.900 0.274 0.000 1.154 24 G CA 1.995 47.312 45.100 0.361 0.000 0.784 24 G HN -0.050 8.301 8.290 0.297 0.117 0.538 25 K N 1.466 121.986 120.400 0.200 0.000 2.147 25 K HA -0.339 nan 4.320 nan 0.000 0.205 25 K C 1.921 178.622 176.600 0.169 0.000 1.049 25 K CA 3.132 59.511 56.287 0.153 0.000 0.936 25 K CB -0.155 32.413 32.500 0.114 0.000 0.722 25 K HN -0.111 8.251 8.250 0.186 0.000 0.446 26 K N -0.412 120.119 120.400 0.217 0.000 2.097 26 K HA -0.281 nan 4.320 nan 0.000 0.205 26 K C 1.982 178.759 176.600 0.295 0.000 1.050 26 K CA 3.007 59.441 56.287 0.245 0.000 0.938 26 K CB -0.097 32.573 32.500 0.283 0.000 0.718 26 K HN -0.716 7.579 8.250 0.228 0.092 0.442 27 F N 0.133 120.140 119.950 0.096 0.000 2.186 27 F HA -0.347 nan 4.527 nan 0.000 0.299 27 F C 1.682 177.439 175.800 -0.071 0.000 1.090 27 F CA 3.274 61.156 58.000 -0.195 0.000 1.307 27 F CB 0.350 39.209 39.000 -0.236 0.000 1.019 27 F HN -0.383 8.085 8.300 0.428 0.089 0.489 28 E N -0.678 119.583 120.200 0.101 0.000 2.204 28 E HA -0.374 nan 4.350 nan 0.000 0.194 28 E C 2.326 178.905 176.600 -0.034 0.000 0.989 28 E CA 2.904 59.311 56.400 0.012 0.000 0.824 28 E CB -0.340 29.407 29.700 0.078 0.000 0.756 28 E HN 0.284 8.705 8.360 0.230 0.077 0.477 29 K N -1.212 119.192 120.400 0.007 0.000 2.167 29 K HA -0.168 nan 4.320 nan 0.000 0.203 29 K C 1.343 177.931 176.600 -0.019 0.000 1.052 29 K CA 2.527 58.821 56.287 0.012 0.000 0.956 29 K CB -0.071 32.461 32.500 0.053 0.000 0.735 29 K HN -0.562 7.568 8.250 0.056 0.153 0.451 30 D N -2.373 117.999 120.400 -0.046 0.000 2.271 30 D HA -0.020 nan 4.640 nan 0.000 0.206 30 D C 1.275 177.478 176.300 -0.162 0.000 0.967 30 D CA 2.287 56.254 54.000 -0.055 0.000 0.867 30 D CB 1.006 41.841 40.800 0.058 0.000 0.960 30 D HN -0.354 7.887 8.370 -0.049 0.099 0.509 31 T N -8.639 105.733 114.554 -0.304 0.000 2.954 31 T HA 0.318 nan 4.350 nan 0.000 0.252 31 T C 1.409 175.994 174.700 -0.192 0.000 0.983 31 T CA 0.023 61.931 62.100 -0.320 0.000 0.941 31 T CB 1.914 70.398 68.868 -0.640 0.000 1.141 31 T HN -0.294 7.747 8.240 -0.331 0.000 0.500 32 G N 1.898 110.607 108.800 -0.152 0.000 2.199 32 G HA2 -0.392 nan 3.960 nan 0.000 0.254 32 G HA3 -0.392 nan 3.960 nan 0.000 0.254 32 G C -0.858 174.009 174.900 -0.054 0.000 0.982 32 G CA 0.385 45.439 45.100 -0.077 0.000 0.632 32 G HN -0.225 7.863 8.290 -0.167 0.102 0.529 33 I N 2.436 122.958 120.570 -0.080 0.000 2.416 33 I HA -0.172 nan 4.170 nan 0.000 0.288 33 I C -0.693 175.471 176.117 0.079 0.000 1.051 33 I CA -0.133 61.179 61.300 0.020 0.000 1.375 33 I CB 0.596 38.661 38.000 0.109 0.000 1.407 33 I HN -0.407 7.603 8.210 -0.190 0.086 0.516 34 K N 6.142 126.575 120.400 0.055 0.000 2.270 34 K HA 0.077 nan 4.320 nan 0.000 0.276 34 K C -1.515 175.106 176.600 0.034 0.000 1.023 34 K CA -0.200 56.117 56.287 0.050 0.000 0.955 34 K CB 0.767 33.283 32.500 0.027 0.000 0.975 34 K HN 0.151 8.422 8.250 0.035 0.000 0.471 35 V N 2.509 122.435 119.914 0.021 0.000 2.487 35 V HA 0.569 nan 4.120 nan 0.000 0.298 35 V C -0.553 175.529 176.094 -0.019 0.000 1.028 35 V CA -0.965 61.297 62.300 -0.063 0.000 0.860 35 V CB 1.453 33.185 31.823 -0.151 0.000 0.991 35 V HN 0.418 8.638 8.190 0.050 0.000 0.427 36 T N 9.684 124.225 114.554 -0.022 0.000 2.770 36 T HA 0.382 nan 4.350 nan 0.000 0.283 36 T C -1.639 173.093 174.700 0.053 0.000 0.988 36 T CA -0.634 61.482 62.100 0.027 0.000 0.957 36 T CB 1.065 69.953 68.868 0.033 0.000 0.930 36 T HN 0.745 8.846 8.240 -0.053 0.107 0.443 37 V N 6.174 126.140 119.914 0.086 0.000 2.435 37 V HA 0.608 nan 4.120 nan 0.000 0.290 37 V C -1.071 175.095 176.094 0.121 0.000 1.030 37 V CA -0.990 61.389 62.300 0.130 0.000 0.881 37 V CB 0.542 32.458 31.823 0.155 0.000 0.983 37 V HN 0.516 8.758 8.190 0.086 0.000 0.445 38 E N 5.348 125.633 120.200 0.141 0.000 2.343 38 E HA 0.512 nan 4.350 nan 0.000 0.270 38 E C -1.768 174.758 176.600 -0.123 0.000 0.895 38 E CA -1.958 54.414 56.400 -0.046 0.000 0.767 38 E CB 4.607 34.301 29.700 -0.011 0.000 1.248 38 E HN 0.851 9.252 8.360 0.244 0.105 0.440 39 H N -1.677 117.214 119.070 -0.298 0.000 2.379 39 H HA 0.393 nan 4.556 nan 0.000 0.229 39 H C -2.191 172.936 175.328 -0.334 0.000 1.423 39 H CA -4.335 51.524 56.048 -0.315 0.000 1.375 39 H CB -0.910 28.585 29.762 -0.445 0.000 1.592 39 H HN 0.235 7.896 8.280 -1.031 0.000 0.507 40 P HA -0.126 nan 4.420 nan 0.000 0.269 40 P C -0.821 176.291 177.300 -0.314 0.000 1.209 40 P CA -0.510 62.270 63.100 -0.533 0.000 0.776 40 P CB 0.553 31.716 31.700 -0.895 0.000 0.876 41 D N 0.814 121.084 120.400 -0.217 0.000 2.425 41 D HA -0.183 nan 4.640 nan 0.000 0.247 41 D C -0.073 176.153 176.300 -0.123 0.000 1.147 41 D CA 0.972 54.904 54.000 -0.114 0.000 0.879 41 D CB 0.383 41.133 40.800 -0.082 0.000 1.179 41 D HN 0.024 8.257 8.370 -0.228 0.000 0.456 42 K N 0.797 121.159 120.400 -0.064 0.000 3.129 42 K HA -0.395 nan 4.320 nan 0.000 0.273 42 K C 0.666 177.186 176.600 -0.134 0.000 1.123 42 K CA 1.147 57.390 56.287 -0.073 0.000 0.800 42 K CB -1.961 30.503 32.500 -0.060 0.000 1.238 42 K HN 0.404 8.647 8.250 -0.012 0.000 0.492 43 L N -4.122 116.998 121.223 -0.171 0.000 2.187 43 L HA -0.383 nan 4.340 nan 0.000 0.213 43 L C 0.696 177.506 176.870 -0.100 0.000 1.100 43 L CA 3.691 58.416 54.840 -0.190 0.000 0.765 43 L CB -0.801 41.138 42.059 -0.201 0.000 0.904 43 L HN -0.532 7.615 8.230 -0.117 0.012 0.437 44 E N -1.358 118.589 120.200 -0.422 0.000 2.347 44 E HA -0.330 nan 4.350 nan 0.000 0.196 44 E C 1.135 177.676 176.600 -0.098 0.000 1.008 44 E CA 2.574 58.670 56.400 -0.507 0.000 0.852 44 E CB -1.423 27.439 29.700 -1.397 0.000 0.783 44 E HN 0.107 8.116 8.360 -0.549 0.022 0.505 45 E N -0.505 119.648 120.200 -0.079 0.000 2.166 45 E HA -0.012 nan 4.350 nan 0.000 0.192 45 E C 2.201 178.822 176.600 0.034 0.000 0.967 45 E CA 1.166 57.564 56.400 -0.004 0.000 0.840 45 E CB 0.070 29.753 29.700 -0.027 0.000 0.795 45 E HN -0.318 7.813 8.360 -0.133 0.149 0.470 46 K N 0.204 120.631 120.400 0.046 0.000 2.097 46 K HA -0.255 nan 4.320 nan 0.000 0.205 46 K C 2.053 178.773 176.600 0.201 0.000 1.050 46 K CA 3.043 59.390 56.287 0.101 0.000 0.938 46 K CB 0.040 32.578 32.500 0.064 0.000 0.718 46 K HN -0.311 7.939 8.250 0.001 0.000 0.442 47 F N 0.816 120.853 119.950 0.145 0.000 2.069 47 F HA -0.222 nan 4.527 nan 0.000 0.298 47 F C -1.988 173.679 175.800 -0.221 0.000 1.113 47 F CA 5.063 63.059 58.000 -0.008 0.000 1.214 47 F CB -2.166 36.737 39.000 -0.162 0.000 0.978 47 F HN -0.078 8.448 8.300 0.376 0.000 0.474 48 P HA -0.259 nan 4.420 nan 0.000 0.219 48 P C 1.804 178.935 177.300 -0.282 0.000 1.146 48 P CA 2.944 65.832 63.100 -0.353 0.000 0.808 48 P CB -0.744 30.924 31.700 -0.053 0.000 0.779 49 Q N -2.103 117.591 119.800 -0.177 0.000 1.994 49 Q HA -0.221 nan 4.340 nan 0.000 0.198 49 Q C 2.738 178.630 176.000 -0.179 0.000 0.976 49 Q CA 2.960 58.683 55.803 -0.133 0.000 0.828 49 Q CB -0.049 28.652 28.738 -0.062 0.000 0.894 49 Q HN -0.655 7.430 8.270 -0.116 0.116 0.432 50 V N -5.452 114.349 119.914 -0.187 0.000 2.548 50 V HA -0.162 nan 4.120 nan 0.000 0.249 50 V C 1.607 177.498 176.094 -0.338 0.000 1.055 50 V CA 2.969 65.150 62.300 -0.199 0.000 1.065 50 V CB -0.932 30.830 31.823 -0.102 0.000 0.681 50 V HN -0.204 7.901 8.190 -0.142 0.000 0.462 51 A N -0.256 122.214 122.820 -0.584 0.000 2.015 51 A HA -0.246 nan 4.320 nan 0.000 0.219 51 A C 2.012 179.345 177.584 -0.418 0.000 1.163 51 A CA 3.199 54.833 52.037 -0.672 0.000 0.646 51 A CB -1.062 17.166 19.000 -1.286 0.000 0.806 51 A HN 0.512 8.242 8.150 -0.699 0.000 0.448 52 A N -2.265 120.349 122.820 -0.342 0.000 2.070 52 A HA -0.166 nan 4.320 nan 0.000 0.220 52 A C 0.820 178.303 177.584 -0.169 0.000 1.159 52 A CA 2.501 54.406 52.037 -0.221 0.000 0.656 52 A CB -0.563 18.333 19.000 -0.173 0.000 0.800 52 A HN -0.011 7.801 8.150 -0.371 0.115 0.453 53 T N -6.597 107.854 114.554 -0.172 0.000 3.214 53 T HA 0.198 nan 4.350 nan 0.000 0.264 53 T C 0.866 175.486 174.700 -0.133 0.000 1.012 53 T CA -1.368 60.654 62.100 -0.129 0.000 0.901 53 T CB -0.737 68.067 68.868 -0.105 0.000 1.070 53 T HN -0.459 7.510 8.240 -0.204 0.148 0.561 54 G N 1.383 110.085 108.800 -0.164 0.000 2.179 54 G HA2 -0.541 nan 3.960 nan 0.000 0.257 54 G HA3 -0.541 nan 3.960 nan 0.000 0.257 54 G C -1.388 173.419 174.900 -0.156 0.000 1.010 54 G CA 0.844 45.853 45.100 -0.151 0.000 0.736 54 G HN -0.098 7.904 8.290 -0.194 0.172 0.513 55 D N 0.830 121.117 120.400 -0.189 0.000 2.627 55 D HA 0.281 nan 4.640 nan 0.000 0.259 55 D C -0.784 175.354 176.300 -0.270 0.000 1.164 55 D CA -0.260 53.630 54.000 -0.182 0.000 1.087 55 D CB 2.537 43.255 40.800 -0.137 0.000 1.217 55 D HN -0.394 7.802 8.370 -0.212 0.046 0.630 56 G N -1.592 107.043 108.800 -0.276 0.000 2.587 56 G HA2 -0.178 nan 3.960 nan 0.000 0.212 56 G HA3 -0.178 nan 3.960 nan 0.000 0.212 56 G C -3.103 171.464 174.900 -0.555 0.000 1.327 56 G CA -0.616 44.186 45.100 -0.496 0.000 0.898 56 G HN -0.083 8.094 8.290 -0.189 0.000 0.551 57 P HA 0.219 nan 4.420 nan 0.000 0.279 57 P C -1.468 175.651 177.300 -0.301 0.000 1.252 57 P CA -0.931 61.780 63.100 -0.649 0.000 0.811 57 P CB 1.221 32.309 31.700 -1.020 0.000 1.035 58 D N -1.412 118.861 120.400 -0.211 0.000 2.117 58 D HA -0.057 nan 4.640 nan 0.000 0.198 58 D C 0.353 176.584 176.300 -0.115 0.000 0.982 58 D CA 3.869 57.787 54.000 -0.137 0.000 0.828 58 D CB 1.059 41.785 40.800 -0.124 0.000 0.967 58 D HN -0.143 8.101 8.370 -0.211 0.000 0.464 59 I N -2.873 117.627 120.570 -0.116 0.000 2.545 59 I HA 0.524 nan 4.170 nan 0.000 0.292 59 I C -2.372 173.711 176.117 -0.056 0.000 1.040 59 I CA -0.792 60.456 61.300 -0.086 0.000 1.068 59 I CB 3.833 41.812 38.000 -0.035 0.000 1.251 59 I HN -0.484 7.650 8.210 -0.127 0.000 0.424 60 I N 4.855 125.347 120.570 -0.130 0.000 2.465 60 I HA 0.714 nan 4.170 nan 0.000 0.291 60 I C -2.258 173.952 176.117 0.155 0.000 1.014 60 I CA -2.260 59.032 61.300 -0.014 0.000 1.093 60 I CB 3.756 41.472 38.000 -0.472 0.000 1.267 60 I HN 0.799 8.791 8.210 -0.185 0.107 0.431 61 F N 8.242 128.394 119.950 0.335 0.000 2.427 61 F HA 0.658 nan 4.527 nan 0.000 0.346 61 F C -1.769 174.330 175.800 0.497 0.000 1.120 61 F CA -0.682 57.535 58.000 0.361 0.000 1.033 61 F CB 1.962 41.114 39.000 0.253 0.000 1.126 61 F HN 0.050 8.763 8.300 0.688 0.000 0.462 62 W N 3.152 124.602 121.300 0.250 0.000 2.989 62 W HA 0.121 nan 4.660 nan 0.000 0.344 62 W C -2.619 173.792 176.519 -0.179 0.000 1.233 62 W CA -0.087 57.319 57.345 0.102 0.000 1.187 62 W CB 3.572 33.177 29.460 0.242 0.000 1.443 62 W HN 0.486 8.872 8.180 0.343 0.000 0.573 63 A N 1.429 124.000 122.820 -0.416 0.000 2.520 63 A HA -0.048 nan 4.320 nan 0.000 0.235 63 A C 0.957 178.377 177.584 -0.272 0.000 1.065 63 A CA 1.349 53.225 52.037 -0.267 0.000 0.764 63 A CB 0.456 19.289 19.000 -0.279 0.000 1.002 63 A HN 0.386 7.844 8.150 -1.154 0.000 0.502 64 H N -0.456 118.413 119.070 -0.335 0.000 2.489 64 H HA -0.380 nan 4.556 nan 0.000 0.295 64 H C 0.394 175.658 175.328 -0.106 0.000 1.082 64 H CA 3.267 59.102 56.048 -0.355 0.000 1.295 64 H CB -0.403 29.263 29.762 -0.160 0.000 1.380 64 H HN 0.232 8.603 8.280 0.151 0.000 0.548 65 D N -1.423 118.557 120.400 -0.701 0.000 2.224 65 D HA -0.178 nan 4.640 nan 0.000 0.205 65 D C 1.600 177.810 176.300 -0.149 0.000 0.965 65 D CA 1.896 55.621 54.000 -0.458 0.000 0.852 65 D CB -0.953 39.604 40.800 -0.405 0.000 0.947 65 D HN 0.171 8.087 8.370 -0.675 0.049 0.494 66 R N -1.151 119.308 120.500 -0.068 0.000 2.189 66 R HA -0.068 nan 4.340 nan 0.000 0.218 66 R C 1.703 177.810 176.300 -0.320 0.000 1.074 66 R CA 1.018 57.008 56.100 -0.184 0.000 0.991 66 R CB -0.549 29.606 30.300 -0.241 0.000 0.883 66 R HN -0.691 7.571 8.270 -0.013 0.000 0.457 67 F N -1.448 118.296 119.950 -0.343 0.000 2.293 67 F HA -0.083 nan 4.527 nan 0.000 0.300 67 F C 1.684 177.365 175.800 -0.198 0.000 1.086 67 F CA 1.299 59.167 58.000 -0.220 0.000 1.375 67 F CB -0.838 38.163 39.000 0.002 0.000 1.045 67 F HN -0.747 7.501 8.300 0.194 0.169 0.516 68 G N -2.137 106.671 108.800 0.013 0.000 2.422 68 G HA2 -0.368 nan 3.960 nan 0.000 0.218 68 G HA3 -0.368 nan 3.960 nan 0.000 0.218 68 G C 1.119 175.791 174.900 -0.380 0.000 1.146 68 G CA 1.987 46.985 45.100 -0.169 0.000 0.769 68 G HN -0.263 8.070 8.290 0.070 0.000 0.547 69 G N 0.061 108.761 108.800 -0.166 0.000 2.494 69 G HA2 -0.070 nan 3.960 nan 0.000 0.216 69 G HA3 -0.070 nan 3.960 nan 0.000 0.216 69 G C 1.164 176.081 174.900 0.028 0.000 1.140 69 G CA 0.876 45.929 45.100 -0.078 0.000 0.801 69 G HN -0.701 7.483 8.290 -0.151 0.016 0.536 70 Y N 2.104 122.337 120.300 -0.111 0.000 2.200 70 Y HA -0.271 nan 4.550 nan 0.000 0.290 70 Y C 1.895 177.687 175.900 -0.179 0.000 1.137 70 Y CA 0.496 58.535 58.100 -0.101 0.000 1.163 70 Y CB -0.957 37.434 38.460 -0.117 0.000 0.988 70 Y HN -0.724 7.420 8.280 -0.091 0.082 0.518 71 A N -2.436 120.296 122.820 -0.147 0.000 1.969 71 A HA -0.282 nan 4.320 nan 0.000 0.218 71 A C 2.797 180.215 177.584 -0.276 0.000 1.169 71 A CA 2.860 54.724 52.037 -0.288 0.000 0.635 71 A CB -1.026 17.637 19.000 -0.560 0.000 0.810 71 A HN 0.205 8.239 8.150 -0.194 0.000 0.445 72 Q N -0.199 119.402 119.800 -0.333 0.000 2.084 72 Q HA -0.237 nan 4.340 nan 0.000 0.202 72 Q C 1.671 177.671 176.000 -0.000 0.000 0.978 72 Q CA 2.562 58.332 55.803 -0.056 0.000 0.844 72 Q CB 0.224 28.970 28.738 0.014 0.000 0.898 72 Q HN -0.259 7.644 8.270 -0.429 0.110 0.426 73 S N -2.513 113.176 115.700 -0.018 0.000 2.701 73 S HA 0.029 nan 4.470 nan 0.000 0.220 73 S C -0.273 174.303 174.600 -0.039 0.000 0.954 73 S CA 0.169 58.357 58.200 -0.020 0.000 0.936 73 S CB -0.043 63.142 63.200 -0.025 0.000 0.777 73 S HN -0.658 7.638 8.310 -0.024 0.000 0.518 74 G N 0.401 109.181 108.800 -0.034 0.000 2.249 74 G HA2 -0.355 nan 3.960 nan 0.000 0.273 74 G HA3 -0.355 nan 3.960 nan 0.000 0.273 74 G C 0.142 175.005 174.900 -0.061 0.000 1.036 74 G CA 0.983 46.062 45.100 -0.035 0.000 0.824 74 G HN -0.456 7.590 8.290 -0.033 0.224 0.504 75 L N -3.754 117.426 121.223 -0.072 0.000 2.558 75 L HA -0.032 nan 4.340 nan 0.000 0.225 75 L C -0.494 176.350 176.870 -0.043 0.000 1.128 75 L CA 0.284 55.058 54.840 -0.110 0.000 0.868 75 L CB 0.350 42.298 42.059 -0.185 0.000 1.006 75 L HN 0.024 8.204 8.230 -0.053 0.018 0.454 76 L N -2.930 118.270 121.223 -0.038 0.000 2.346 76 L HA 0.381 nan 4.340 nan 0.000 0.274 76 L C -1.014 175.839 176.870 -0.028 0.000 1.007 76 L CA -2.029 52.784 54.840 -0.045 0.000 0.818 76 L CB 2.581 44.580 42.059 -0.100 0.000 1.284 76 L HN -0.864 7.291 8.230 -0.042 0.050 0.424 77 A N 2.832 125.640 122.820 -0.021 0.000 2.388 77 A HA 0.128 nan 4.320 nan 0.000 0.257 77 A C -0.975 176.611 177.584 0.003 0.000 1.095 77 A CA -0.403 51.630 52.037 -0.007 0.000 0.791 77 A CB 0.912 19.910 19.000 -0.003 0.000 1.029 77 A HN 0.625 8.760 8.150 -0.026 0.000 0.489 78 E N 2.245 122.449 120.200 0.008 0.000 2.373 78 E HA 0.197 nan 4.350 nan 0.000 0.267 78 E C -0.095 176.501 176.600 -0.008 0.000 1.032 78 E CA -0.390 56.016 56.400 0.010 0.000 0.889 78 E CB 0.911 30.619 29.700 0.014 0.000 0.984 78 E HN 0.158 8.522 8.360 0.007 0.000 0.425 79 I N 0.350 120.897 120.570 -0.038 0.000 2.676 79 I HA 0.452 nan 4.170 nan 0.000 0.309 79 I C -0.612 175.461 176.117 -0.073 0.000 0.990 79 I CA -1.421 59.832 61.300 -0.078 0.000 1.168 79 I CB 1.804 39.646 38.000 -0.263 0.000 1.343 79 I HN 0.122 8.207 8.210 -0.032 0.106 0.482 80 T N -2.547 111.982 114.554 -0.042 0.000 3.483 80 T HA 0.502 nan 4.350 nan 0.000 0.258 80 T C -1.609 173.080 174.700 -0.018 0.000 1.013 80 T CA -3.096 58.986 62.100 -0.031 0.000 1.078 80 T CB -1.020 67.845 68.868 -0.006 0.000 1.111 80 T HN 0.429 8.665 8.240 -0.007 0.000 0.538 81 P HA 0.122 nan 4.420 nan 0.000 0.275 81 P C -1.415 175.895 177.300 0.018 0.000 1.227 81 P CA -0.228 62.896 63.100 0.039 0.000 0.781 81 P CB 0.398 32.219 31.700 0.201 0.000 0.906 82 D N 3.004 123.444 120.400 0.067 0.000 2.377 82 D HA 0.011 nan 4.640 nan 0.000 0.245 82 D C 0.812 177.141 176.300 0.049 0.000 1.196 82 D CA -1.148 52.878 54.000 0.043 0.000 0.962 82 D CB 0.824 41.656 40.800 0.053 0.000 1.127 82 D HN -0.260 8.161 8.370 0.085 0.000 0.471 83 K N 0.004 120.406 120.400 0.003 0.000 2.103 83 K HA -0.373 nan 4.320 nan 0.000 0.207 83 K C 1.949 178.566 176.600 0.028 0.000 1.048 83 K CA 3.269 59.545 56.287 -0.018 0.000 0.930 83 K CB -0.289 32.197 32.500 -0.023 0.000 0.716 83 K HN 0.398 8.646 8.250 -0.004 0.000 0.444 84 A N -1.738 121.119 122.820 0.062 0.000 1.883 84 A HA -0.165 nan 4.320 nan 0.000 0.217 84 A C 2.309 179.964 177.584 0.118 0.000 1.186 84 A CA 2.672 54.754 52.037 0.076 0.000 0.624 84 A CB -1.020 18.030 19.000 0.082 0.000 0.822 84 A HN -0.066 8.108 8.150 0.058 0.011 0.444 85 F N -0.906 119.077 119.950 0.055 0.000 2.146 85 F HA -0.371 nan 4.527 nan 0.000 0.298 85 F C 2.262 178.178 175.800 0.193 0.000 1.096 85 F CA 3.142 61.212 58.000 0.118 0.000 1.275 85 F CB 0.383 39.473 39.000 0.150 0.000 1.008 85 F HN -0.569 8.164 8.300 0.294 -0.256 0.480 86 Q N -0.931 118.976 119.800 0.177 0.000 2.135 86 Q HA -0.411 nan 4.340 nan 0.000 0.204 86 Q C 2.413 178.519 176.000 0.177 0.000 0.981 86 Q CA 3.334 59.193 55.803 0.093 0.000 0.856 86 Q CB -0.287 28.242 28.738 -0.348 0.000 0.902 86 Q HN 0.156 8.539 8.270 0.189 0.000 0.425 87 D N -0.656 119.769 120.400 0.042 0.000 2.350 87 D HA -0.101 nan 4.640 nan 0.000 0.216 87 D C 1.136 177.407 176.300 -0.048 0.000 0.968 87 D CA 2.314 56.325 54.000 0.019 0.000 0.894 87 D CB -0.656 40.145 40.800 0.002 0.000 0.909 87 D HN -0.073 8.297 8.370 0.025 0.016 0.520 88 K N -1.799 118.526 120.400 -0.125 0.000 2.487 88 K HA -0.074 nan 4.320 nan 0.000 0.192 88 K C -0.760 175.683 176.600 -0.261 0.000 1.027 88 K CA 0.666 56.825 56.287 -0.213 0.000 1.054 88 K CB 0.478 32.793 32.500 -0.308 0.000 0.824 88 K HN -0.416 7.568 8.250 -0.144 0.180 0.510 89 L N -2.250 118.861 121.223 -0.187 0.000 2.323 89 L HA 0.463 nan 4.340 nan 0.000 0.265 89 L C -0.446 176.289 176.870 -0.226 0.000 1.012 89 L CA -2.068 52.611 54.840 -0.268 0.000 0.820 89 L CB 2.344 44.176 42.059 -0.378 0.000 1.334 89 L HN -0.689 7.459 8.230 -0.032 0.062 0.427 90 Y N 0.826 121.017 120.300 -0.182 0.000 2.620 90 Y HA -0.107 nan 4.550 nan 0.000 0.330 90 Y C -0.193 175.638 175.900 -0.115 0.000 1.186 90 Y CA 0.725 58.762 58.100 -0.105 0.000 1.467 90 Y CB -1.266 37.114 38.460 -0.133 0.000 1.262 90 Y HN -0.293 7.872 8.280 -0.190 0.000 0.550 91 P HA -0.333 nan 4.420 nan 0.000 0.216 91 P C 0.620 178.073 177.300 0.256 0.000 1.157 91 P CA 2.681 65.968 63.100 0.312 0.000 0.880 91 P CB -0.159 31.708 31.700 0.278 0.000 0.791 92 F N -6.112 113.926 119.950 0.147 0.000 2.333 92 F HA -0.160 nan 4.527 nan 0.000 0.300 92 F C 0.570 176.380 175.800 0.016 0.000 1.083 92 F CA 1.267 59.311 58.000 0.073 0.000 1.395 92 F CB -1.333 37.684 39.000 0.029 0.000 1.056 92 F HN -0.172 8.460 8.300 0.553 0.000 0.529 93 T N -3.227 110.845 114.554 -0.804 0.000 2.995 93 T HA -0.160 nan 4.350 nan 0.000 0.269 93 T C 2.221 176.682 174.700 -0.398 0.000 1.091 93 T CA 2.065 63.722 62.100 -0.738 0.000 1.128 93 T CB -0.585 67.773 68.868 -0.850 0.000 0.891 93 T HN -0.389 7.195 8.240 -0.861 0.139 0.492 94 W N 1.498 122.731 121.300 -0.111 0.000 2.467 94 W HA -0.186 nan 4.660 nan 0.000 0.275 94 W C 1.694 178.217 176.519 0.008 0.000 1.239 94 W CA 2.231 59.560 57.345 -0.026 0.000 1.266 94 W CB -0.023 29.441 29.460 0.007 0.000 1.112 94 W HN -0.336 7.668 8.180 -0.066 0.136 0.576 95 D N -1.861 118.662 120.400 0.205 0.000 2.310 95 D HA -0.177 nan 4.640 nan 0.000 0.212 95 D C 1.023 177.348 176.300 0.043 0.000 0.965 95 D CA 2.789 56.866 54.000 0.128 0.000 0.879 95 D CB -0.863 39.961 40.800 0.038 0.000 0.921 95 D HN -0.482 7.870 8.370 0.171 0.121 0.510 96 A N -1.958 120.856 122.820 -0.009 0.000 2.123 96 A HA 0.119 nan 4.320 nan 0.000 0.214 96 A C 0.889 178.557 177.584 0.141 0.000 1.152 96 A CA 1.748 53.751 52.037 -0.057 0.000 0.728 96 A CB 0.755 19.474 19.000 -0.469 0.000 0.814 96 A HN -0.537 7.423 8.150 -0.044 0.164 0.464 97 V N -9.011 111.005 119.914 0.169 0.000 3.121 97 V HA 0.347 nan 4.120 nan 0.000 0.344 97 V C -1.028 175.240 176.094 0.289 0.000 1.390 97 V CA -2.438 60.011 62.300 0.248 0.000 1.177 97 V CB -1.038 30.915 31.823 0.216 0.000 1.163 97 V HN -0.713 7.408 8.190 0.159 0.164 0.484 98 R N 0.030 120.702 120.500 0.287 0.000 2.368 98 R HA 0.480 nan 4.340 nan 0.000 0.302 98 R C -1.261 175.242 176.300 0.338 0.000 1.002 98 R CA -0.792 55.471 56.100 0.271 0.000 0.929 98 R CB 1.774 32.216 30.300 0.236 0.000 1.073 98 R HN -0.718 7.648 8.270 0.271 0.066 0.464 99 Y N 5.519 125.911 120.300 0.153 0.000 2.363 99 Y HA 0.041 nan 4.550 nan 0.000 0.325 99 Y C -1.513 174.442 175.900 0.091 0.000 0.984 99 Y CA -0.929 57.255 58.100 0.141 0.000 1.248 99 Y CB 2.689 41.232 38.460 0.138 0.000 1.116 99 Y HN 0.943 9.299 8.280 0.308 0.109 0.470 100 N N 9.283 127.807 118.700 -0.294 0.000 2.688 100 N HA -0.480 nan 4.740 nan 0.000 0.258 100 N C -0.349 175.106 175.510 -0.090 0.000 1.016 100 N CA 1.540 54.436 53.050 -0.257 0.000 0.747 100 N CB -1.863 36.391 38.487 -0.388 0.000 0.895 100 N HN 0.794 8.998 8.380 -0.294 0.000 0.543 101 G N -3.964 104.809 108.800 -0.044 0.000 2.358 101 G HA2 -0.531 nan 3.960 nan 0.000 0.224 101 G HA3 -0.531 nan 3.960 nan 0.000 0.224 101 G C -0.732 174.186 174.900 0.030 0.000 1.073 101 G CA 0.267 45.357 45.100 -0.017 0.000 0.635 101 G HN -0.118 8.147 8.290 -0.042 0.000 0.509 102 K N 2.393 122.836 120.400 0.072 0.000 2.143 102 K HA 0.276 nan 4.320 nan 0.000 0.272 102 K C -0.645 176.025 176.600 0.117 0.000 1.001 102 K CA -1.878 54.459 56.287 0.083 0.000 0.915 102 K CB 0.729 33.289 32.500 0.099 0.000 1.047 102 K HN -0.316 7.825 8.250 0.086 0.161 0.458 103 L N 2.057 123.324 121.223 0.074 0.000 2.361 103 L HA 0.278 nan 4.340 nan 0.000 0.278 103 L C 0.337 177.259 176.870 0.085 0.000 1.113 103 L CA 0.660 55.556 54.840 0.093 0.000 0.849 103 L CB -0.255 41.812 42.059 0.015 0.000 1.155 103 L HN 0.648 8.898 8.230 0.032 0.000 0.452 104 I N -3.004 117.651 120.570 0.143 0.000 4.147 104 I HA 0.396 nan 4.170 nan 0.000 0.329 104 I C -1.774 174.437 176.117 0.156 0.000 1.424 104 I CA -1.648 59.726 61.300 0.123 0.000 1.127 104 I CB 0.432 38.520 38.000 0.146 0.000 1.128 104 I HN 0.659 8.989 8.210 0.200 0.000 0.417 105 A N -2.698 120.219 122.820 0.161 0.000 2.567 105 A HA 0.223 nan 4.320 nan 0.000 0.291 105 A C -2.174 175.465 177.584 0.093 0.000 1.048 105 A CA 0.077 52.238 52.037 0.206 0.000 0.661 105 A CB 1.941 21.252 19.000 0.518 0.000 1.288 105 A HN -0.911 7.324 8.150 0.142 0.000 0.424 106 Y N -1.203 119.209 120.300 0.187 0.000 2.326 106 Y HA 0.265 nan 4.550 nan 0.000 0.337 106 Y C -1.933 173.939 175.900 -0.047 0.000 1.023 106 Y CA -1.827 56.347 58.100 0.123 0.000 1.143 106 Y CB 1.105 39.656 38.460 0.151 0.000 1.183 106 Y HN 0.373 8.865 8.280 0.353 0.000 0.485 107 P HA 0.201 nan 4.420 nan 0.000 0.276 107 P C -1.452 175.792 177.300 -0.094 0.000 1.235 107 P CA -0.050 62.922 63.100 -0.212 0.000 0.772 107 P CB 0.364 31.757 31.700 -0.511 0.000 0.871 108 I N 1.440 121.995 120.570 -0.024 0.000 3.393 108 I HA 0.179 nan 4.170 nan 0.000 0.250 108 I C -0.572 175.558 176.117 0.022 0.000 1.122 108 I CA -0.076 61.256 61.300 0.053 0.000 1.484 108 I CB 1.120 39.226 38.000 0.176 0.000 1.468 108 I HN 0.761 8.947 8.210 -0.039 0.000 0.461 109 A N -2.664 120.161 122.820 0.008 0.000 2.423 109 A HA 0.566 nan 4.320 nan 0.000 0.304 109 A C -2.074 175.494 177.584 -0.027 0.000 1.104 109 A CA -1.700 50.340 52.037 0.005 0.000 0.757 109 A CB 2.934 21.943 19.000 0.015 0.000 1.313 109 A HN -0.679 7.475 8.150 0.007 0.000 0.423 110 V N -0.394 119.517 119.914 -0.006 0.000 2.604 110 V HA 0.562 nan 4.120 nan 0.000 0.305 110 V C -2.187 173.922 176.094 0.024 0.000 1.043 110 V CA -0.804 61.504 62.300 0.012 0.000 0.888 110 V CB 2.392 34.249 31.823 0.057 0.000 0.995 110 V HN 0.451 8.538 8.190 0.013 0.110 0.429 111 E N 5.249 125.472 120.200 0.037 0.000 2.272 111 E HA 0.454 nan 4.350 nan 0.000 0.269 111 E C -2.502 174.148 176.600 0.082 0.000 0.877 111 E CA -1.561 54.856 56.400 0.029 0.000 0.755 111 E CB 4.275 33.970 29.700 -0.008 0.000 1.192 111 E HN 0.364 8.755 8.360 0.052 0.000 0.422 112 A N 2.942 125.802 122.820 0.068 0.000 2.612 112 A HA 0.466 nan 4.320 nan 0.000 0.293 112 A C -2.115 175.497 177.584 0.047 0.000 1.075 112 A CA -0.751 51.333 52.037 0.078 0.000 0.680 112 A CB 2.782 21.816 19.000 0.055 0.000 1.279 112 A HN 0.216 8.389 8.150 0.038 0.000 0.411 113 L N -0.909 120.313 121.223 -0.001 0.000 2.452 113 L HA 0.145 nan 4.340 nan 0.000 0.267 113 L C -0.444 176.433 176.870 0.012 0.000 1.188 113 L CA 0.371 55.199 54.840 -0.020 0.000 0.821 113 L CB 0.540 42.519 42.059 -0.134 0.000 1.102 113 L HN 0.431 8.641 8.230 -0.033 0.000 0.470 114 S N -0.665 115.064 115.700 0.049 0.000 2.627 114 S HA 0.500 nan 4.470 nan 0.000 0.283 114 S C -2.155 172.452 174.600 0.012 0.000 1.127 114 S CA -1.193 57.038 58.200 0.052 0.000 0.863 114 S CB 3.438 66.724 63.200 0.143 0.000 1.121 114 S HN 0.032 8.383 8.310 0.069 0.000 0.479 115 L N 2.813 124.023 121.223 -0.022 0.000 2.313 115 L HA 0.312 nan 4.340 nan 0.000 0.282 115 L C -1.990 174.909 176.870 0.047 0.000 1.092 115 L CA -0.153 54.653 54.840 -0.058 0.000 0.831 115 L CB 0.838 42.819 42.059 -0.130 0.000 1.159 115 L HN -0.023 8.193 8.230 -0.023 0.000 0.442 116 I N 7.583 128.144 120.570 -0.016 0.000 2.377 116 I HA 0.600 nan 4.170 nan 0.000 0.293 116 I C -1.874 174.257 176.117 0.025 0.000 0.987 116 I CA -0.963 60.318 61.300 -0.033 0.000 1.185 116 I CB 0.957 38.784 38.000 -0.289 0.000 1.341 116 I HN 0.509 8.659 8.210 -0.100 0.000 0.455 117 Y N 4.626 124.979 120.300 0.088 0.000 2.553 117 Y HA 0.612 nan 4.550 nan 0.000 0.347 117 Y C -2.699 173.449 175.900 0.413 0.000 1.019 117 Y CA -3.386 54.862 58.100 0.246 0.000 1.032 117 Y CB 2.444 40.961 38.460 0.095 0.000 1.284 117 Y HN 0.641 8.971 8.280 0.082 0.000 0.466 118 N N 1.674 120.597 118.700 0.371 0.000 2.415 118 N HA 0.068 nan 4.740 nan 0.000 0.246 118 N C 0.820 176.358 175.510 0.046 0.000 1.078 118 N CA -1.114 51.983 53.050 0.078 0.000 0.942 118 N CB 0.256 38.693 38.487 -0.083 0.000 1.140 118 N HN 0.488 9.064 8.380 0.502 0.106 0.501 119 K N 6.846 127.191 120.400 -0.092 0.000 2.211 119 K HA -0.343 nan 4.320 nan 0.000 0.204 119 K C 0.938 177.555 176.600 0.028 0.000 1.047 119 K CA 2.903 59.176 56.287 -0.023 0.000 0.935 119 K CB -0.034 32.400 32.500 -0.110 0.000 0.728 119 K HN 0.652 8.805 8.250 -0.162 0.000 0.452 120 D N -1.993 118.403 120.400 -0.006 0.000 2.123 120 D HA -0.144 nan 4.640 nan 0.000 0.200 120 D C 1.224 177.532 176.300 0.013 0.000 0.976 120 D CA 2.457 56.453 54.000 -0.006 0.000 0.831 120 D CB -0.021 40.761 40.800 -0.030 0.000 0.974 120 D HN -0.413 8.111 8.370 -0.032 -0.174 0.469 121 L N -3.674 117.562 121.223 0.023 0.000 2.270 121 L HA -0.039 nan 4.340 nan 0.000 0.210 121 L C -0.067 176.842 176.870 0.065 0.000 1.104 121 L CA 1.133 55.995 54.840 0.035 0.000 0.804 121 L CB 1.276 43.353 42.059 0.030 0.000 0.937 121 L HN -0.835 7.589 8.230 0.015 -0.185 0.450 122 L N -2.628 118.664 121.223 0.116 0.000 2.415 122 L HA 0.438 nan 4.340 nan 0.000 0.268 122 L C -1.822 175.144 176.870 0.161 0.000 0.984 122 L CA -2.813 52.107 54.840 0.133 0.000 0.853 122 L CB 2.287 44.460 42.059 0.191 0.000 1.215 122 L HN -0.557 7.752 8.230 0.131 0.000 0.419 123 P HA -0.064 nan 4.420 nan 0.000 0.215 123 P C -1.699 175.635 177.300 0.057 0.000 1.157 123 P CA 1.165 64.308 63.100 0.071 0.000 0.859 123 P CB 0.278 31.994 31.700 0.028 0.000 0.786 124 N N -3.332 115.358 118.700 -0.017 0.000 2.442 124 N HA 0.269 nan 4.740 nan 0.000 0.274 124 N C -2.746 172.634 175.510 -0.217 0.000 1.002 124 N CA -3.165 49.822 53.050 -0.105 0.000 0.910 124 N CB 0.491 38.931 38.487 -0.078 0.000 1.244 124 N HN -0.208 8.164 8.380 -0.013 0.000 0.492 125 P HA 0.232 nan 4.420 nan 0.000 0.271 125 P C -2.103 175.006 177.300 -0.319 0.000 1.218 125 P CA -1.101 61.675 63.100 -0.539 0.000 0.780 125 P CB -0.679 30.409 31.700 -1.019 0.000 0.901 126 P HA -0.003 nan 4.420 nan 0.000 0.268 126 P C -0.872 176.298 177.300 -0.216 0.000 1.205 126 P CA -0.276 62.705 63.100 -0.198 0.000 0.771 126 P CB 0.576 32.166 31.700 -0.182 0.000 0.858 127 K N -0.697 119.606 120.400 -0.162 0.000 2.356 127 K HA 0.148 nan 4.320 nan 0.000 0.195 127 K C -0.168 176.351 176.600 -0.136 0.000 1.037 127 K CA -0.063 56.136 56.287 -0.147 0.000 1.014 127 K CB 0.606 33.042 32.500 -0.106 0.000 0.815 127 K HN 0.542 8.821 8.250 -0.131 -0.107 0.507 128 T N -4.976 109.503 114.554 -0.123 0.000 2.906 128 T HA 0.511 nan 4.350 nan 0.000 0.295 128 T C 0.811 175.472 174.700 -0.065 0.000 1.061 128 T CA -2.030 60.030 62.100 -0.067 0.000 1.000 128 T CB 2.280 71.136 68.868 -0.020 0.000 1.103 128 T HN -0.903 7.356 8.240 -0.125 -0.094 0.486 129 W N 3.070 124.326 121.300 -0.072 0.000 2.388 129 W HA -0.213 nan 4.660 nan 0.000 0.294 129 W C 1.693 178.229 176.519 0.029 0.000 1.212 129 W CA 3.933 61.236 57.345 -0.071 0.000 1.271 129 W CB 0.186 29.475 29.460 -0.285 0.000 1.126 129 W HN 1.100 9.419 8.180 0.233 0.000 0.535 130 E N -2.328 117.984 120.200 0.186 0.000 2.209 130 E HA -0.403 nan 4.350 nan 0.000 0.196 130 E C 1.213 177.960 176.600 0.244 0.000 0.993 130 E CA 3.383 59.941 56.400 0.263 0.000 0.819 130 E CB -0.721 29.051 29.700 0.121 0.000 0.745 130 E HN 0.358 8.772 8.360 0.123 0.020 0.477 131 E N -3.783 116.498 120.200 0.135 0.000 2.479 131 E HA -0.002 nan 4.350 nan 0.000 0.193 131 E C 1.181 177.810 176.600 0.048 0.000 1.049 131 E CA 0.099 56.541 56.400 0.069 0.000 0.870 131 E CB -0.091 29.618 29.700 0.014 0.000 0.944 131 E HN -0.675 7.710 8.360 0.101 0.036 0.492 132 I N 1.844 122.474 120.570 0.099 0.000 2.439 132 I HA -0.200 nan 4.170 nan 0.000 0.251 132 I C -0.994 175.077 176.117 -0.077 0.000 1.139 132 I CA 5.107 66.430 61.300 0.038 0.000 1.438 132 I CB -1.994 36.074 38.000 0.112 0.000 1.085 132 I HN -0.215 7.948 8.210 0.208 0.171 0.427 133 P HA -0.226 nan 4.420 nan 0.000 0.215 133 P C 0.564 177.718 177.300 -0.244 0.000 1.157 133 P CA 3.423 66.202 63.100 -0.534 0.000 0.868 133 P CB -0.773 30.753 31.700 -0.290 0.000 0.788 134 A N -3.385 119.393 122.820 -0.070 0.000 1.902 134 A HA -0.199 nan 4.320 nan 0.000 0.217 134 A C 2.073 179.650 177.584 -0.011 0.000 1.181 134 A CA 2.750 54.780 52.037 -0.011 0.000 0.623 134 A CB -0.764 18.242 19.000 0.010 0.000 0.818 134 A HN -0.057 8.071 8.150 -0.037 0.000 0.443 135 L N -2.073 119.136 121.223 -0.023 0.000 2.083 135 L HA -0.328 nan 4.340 nan 0.000 0.209 135 L C 1.354 178.223 176.870 -0.001 0.000 1.083 135 L CA 2.662 57.495 54.840 -0.012 0.000 0.752 135 L CB -0.275 41.772 42.059 -0.019 0.000 0.899 135 L HN -0.573 7.639 8.230 -0.030 0.000 0.433 136 D N -1.266 119.121 120.400 -0.022 0.000 2.144 136 D HA -0.325 nan 4.640 nan 0.000 0.199 136 D C 2.270 178.612 176.300 0.069 0.000 0.984 136 D CA 3.424 57.441 54.000 0.028 0.000 0.834 136 D CB -0.038 40.775 40.800 0.022 0.000 0.955 136 D HN -0.027 8.198 8.370 -0.076 0.100 0.465 137 K N -1.102 119.338 120.400 0.067 0.000 2.057 137 K HA -0.360 nan 4.320 nan 0.000 0.207 137 K C 2.463 179.093 176.600 0.049 0.000 1.049 137 K CA 3.398 59.732 56.287 0.078 0.000 0.931 137 K CB -0.052 32.496 32.500 0.080 0.000 0.714 137 K HN -0.566 7.621 8.250 0.033 0.083 0.440 138 E N -0.686 119.534 120.200 0.034 0.000 2.058 138 E HA -0.310 nan 4.350 nan 0.000 0.194 138 E C 3.054 179.670 176.600 0.027 0.000 0.997 138 E CA 2.820 59.236 56.400 0.025 0.000 0.801 138 E CB -0.070 29.640 29.700 0.017 0.000 0.746 138 E HN -0.663 7.715 8.360 0.029 0.000 0.450 139 L N -1.780 119.462 121.223 0.031 0.000 2.217 139 L HA -0.249 nan 4.340 nan 0.000 0.211 139 L C 1.901 178.792 176.870 0.034 0.000 1.107 139 L CA 2.713 57.572 54.840 0.032 0.000 0.783 139 L CB -0.182 41.900 42.059 0.038 0.000 0.919 139 L HN -0.387 7.863 8.230 0.033 0.000 0.442 140 K N -1.034 119.392 120.400 0.043 0.000 2.211 140 K HA -0.252 nan 4.320 nan 0.000 0.203 140 K C 2.674 179.292 176.600 0.029 0.000 1.050 140 K CA 2.436 58.748 56.287 0.041 0.000 0.945 140 K CB -0.869 31.664 32.500 0.055 0.000 0.732 140 K HN -0.074 8.093 8.250 0.050 0.113 0.451 141 A N -0.831 122.006 122.820 0.027 0.000 2.070 141 A HA -0.114 nan 4.320 nan 0.000 0.220 141 A C 0.638 178.231 177.584 0.015 0.000 1.159 141 A CA 2.586 54.635 52.037 0.020 0.000 0.656 141 A CB -0.545 18.466 19.000 0.019 0.000 0.800 141 A HN -0.302 7.740 8.150 0.031 0.127 0.453 142 K N -4.452 115.957 120.400 0.015 0.000 2.373 142 K HA 0.156 nan 4.320 nan 0.000 0.202 142 K C -0.115 176.491 176.600 0.010 0.000 1.025 142 K CA -1.300 54.994 56.287 0.011 0.000 1.115 142 K CB 0.143 32.649 32.500 0.009 0.000 0.858 142 K HN -0.666 7.437 8.250 0.019 0.159 0.525 143 G N -1.744 107.064 108.800 0.014 0.000 2.132 143 G HA2 -0.338 nan 3.960 nan 0.000 0.234 143 G HA3 -0.338 nan 3.960 nan 0.000 0.234 143 G C -0.213 174.695 174.900 0.014 0.000 0.989 143 G CA 0.267 45.375 45.100 0.012 0.000 0.676 143 G HN -0.414 7.690 8.290 0.017 0.197 0.522 144 K N -0.098 120.314 120.400 0.021 0.000 2.340 144 K HA 0.751 nan 4.320 nan 0.000 0.244 144 K C -1.324 175.302 176.600 0.042 0.000 0.973 144 K CA -2.728 53.575 56.287 0.026 0.000 0.828 144 K CB 3.252 35.765 32.500 0.022 0.000 1.226 144 K HN -0.254 7.921 8.250 0.023 0.089 0.437 145 S N -1.040 114.693 115.700 0.055 0.000 2.621 145 S HA 0.461 nan 4.470 nan 0.000 0.302 145 S C 0.070 174.722 174.600 0.086 0.000 1.093 145 S CA -1.902 56.343 58.200 0.075 0.000 1.017 145 S CB 3.296 66.546 63.200 0.083 0.000 1.077 145 S HN -0.076 8.264 8.310 0.051 0.000 0.517 146 A N 1.326 124.200 122.820 0.090 0.000 1.854 146 A HA 0.088 nan 4.320 nan 0.000 0.214 146 A C -1.630 176.022 177.584 0.112 0.000 1.192 146 A CA 3.037 55.124 52.037 0.083 0.000 0.611 146 A CB 0.410 19.441 19.000 0.051 0.000 0.832 146 A HN 0.578 9.122 8.150 0.095 -0.337 0.442 147 L N -5.349 115.958 121.223 0.141 0.000 2.436 147 L HA 0.432 nan 4.340 nan 0.000 0.268 147 L C -1.766 175.245 176.870 0.235 0.000 0.974 147 L CA -0.039 54.913 54.840 0.186 0.000 0.826 147 L CB 2.899 45.077 42.059 0.197 0.000 1.291 147 L HN -0.513 7.802 8.230 0.142 0.000 0.406 148 M N 6.928 126.676 119.600 0.247 0.000 2.213 148 M HA 0.387 nan 4.480 nan 0.000 0.286 148 M C -2.078 174.397 176.300 0.293 0.000 1.008 148 M CA -0.308 55.123 55.300 0.217 0.000 0.937 148 M CB 3.308 35.984 32.600 0.126 0.000 1.600 148 M HN 0.387 8.813 8.290 0.227 0.000 0.450 149 F N -0.224 119.742 119.950 0.026 0.000 2.662 149 F HA 0.438 nan 4.527 nan 0.000 0.312 149 F C -2.566 173.191 175.800 -0.073 0.000 1.113 149 F CA -2.878 55.110 58.000 -0.019 0.000 0.951 149 F CB 1.892 40.949 39.000 0.094 0.000 1.344 149 F HN -0.007 8.338 8.300 0.074 0.000 0.462 150 N N 0.170 118.772 118.700 -0.164 0.000 2.417 150 N HA -0.158 nan 4.740 nan 0.000 0.272 150 N C -0.251 175.110 175.510 -0.248 0.000 1.304 150 N CA 0.597 53.441 53.050 -0.343 0.000 0.906 150 N CB -0.206 37.819 38.487 -0.770 0.000 1.135 150 N HN 0.359 8.650 8.380 -0.148 0.000 0.483 151 L N 4.561 125.622 121.223 -0.270 0.000 2.585 151 L HA 0.104 nan 4.340 nan 0.000 0.226 151 L C 0.686 177.531 176.870 -0.043 0.000 1.113 151 L CA 0.641 55.353 54.840 -0.213 0.000 0.876 151 L CB 0.009 41.896 42.059 -0.286 0.000 1.072 151 L HN -0.093 7.988 8.230 -0.248 0.000 0.468 152 Q N -2.882 116.901 119.800 -0.028 0.000 2.245 152 Q HA -0.193 nan 4.340 nan 0.000 0.201 152 Q C 0.179 176.236 176.000 0.095 0.000 0.955 152 Q CA 1.107 56.920 55.803 0.017 0.000 0.870 152 Q CB 0.291 29.027 28.738 -0.002 0.000 0.945 152 Q HN -0.710 7.672 8.270 -0.074 -0.157 0.461 153 E N -2.818 117.495 120.200 0.188 0.000 2.179 153 E HA 0.436 nan 4.350 nan 0.000 0.275 153 E C -1.691 175.175 176.600 0.443 0.000 0.945 153 E CA -3.289 53.300 56.400 0.314 0.000 0.792 153 E CB 0.679 30.641 29.700 0.437 0.000 1.125 153 E HN -0.732 7.702 8.360 0.168 0.027 0.397 154 P HA -0.075 nan 4.420 nan 0.000 0.223 154 P C 0.173 177.917 177.300 0.740 0.000 1.151 154 P CA 1.691 65.126 63.100 0.558 0.000 0.787 154 P CB 0.081 32.126 31.700 0.574 0.000 0.788 155 Y N -1.252 119.383 120.300 0.559 0.000 2.165 155 Y HA -0.404 nan 4.550 nan 0.000 0.286 155 Y C 0.809 176.889 175.900 0.300 0.000 1.155 155 Y CA 3.363 61.734 58.100 0.452 0.000 1.164 155 Y CB -0.175 38.319 38.460 0.057 0.000 0.978 155 Y HN -0.041 8.586 8.280 0.638 0.036 0.513 156 F N -5.855 114.295 119.950 0.334 0.000 2.335 156 F HA -0.150 nan 4.527 nan 0.000 0.296 156 F C 1.091 177.113 175.800 0.369 0.000 1.091 156 F CA 2.691 60.871 58.000 0.299 0.000 1.399 156 F CB 0.614 39.890 39.000 0.460 0.000 1.067 156 F HN -0.760 8.040 8.300 0.849 0.009 0.520 157 T N -5.110 109.778 114.554 0.557 0.000 3.057 157 T HA 0.066 nan 4.350 nan 0.000 0.254 157 T C 1.396 176.237 174.700 0.235 0.000 1.094 157 T CA 0.724 63.078 62.100 0.424 0.000 1.088 157 T CB 0.192 69.246 68.868 0.310 0.000 0.934 157 T HN -0.710 7.867 8.240 0.562 0.000 0.497 158 W N 3.300 124.649 121.300 0.081 0.000 2.342 158 W HA -0.148 nan 4.660 nan 0.000 0.297 158 W C -1.744 174.674 176.519 -0.169 0.000 1.213 158 W CA 3.814 61.126 57.345 -0.055 0.000 1.251 158 W CB -1.841 27.544 29.460 -0.125 0.000 1.136 158 W HN -0.077 8.402 8.180 0.499 0.000 0.526 159 P HA -0.350 nan 4.420 nan 0.000 0.216 159 P C 1.458 178.567 177.300 -0.319 0.000 1.154 159 P CA 3.291 66.256 63.100 -0.225 0.000 0.865 159 P CB -0.598 31.064 31.700 -0.064 0.000 0.789 160 L N -2.900 118.095 121.223 -0.380 0.000 2.068 160 L HA -0.174 nan 4.340 nan 0.000 0.204 160 L C 1.372 177.848 176.870 -0.656 0.000 1.076 160 L CA 2.651 57.080 54.840 -0.684 0.000 0.753 160 L CB -0.121 41.331 42.059 -1.011 0.000 0.910 160 L HN -0.864 7.199 8.230 -0.263 0.009 0.439 161 I N -2.010 118.205 120.570 -0.592 0.000 2.208 161 I HA -0.569 nan 4.170 nan 0.000 0.245 161 I C 2.051 177.723 176.117 -0.742 0.000 1.097 161 I CA 3.872 64.809 61.300 -0.605 0.000 1.363 161 I CB -0.081 37.611 38.000 -0.513 0.000 1.051 161 I HN -0.804 7.112 8.210 -0.489 0.000 0.413 162 A N -3.436 118.746 122.820 -1.063 0.000 2.119 162 A HA -0.115 nan 4.320 nan 0.000 0.216 162 A C 1.668 179.024 177.584 -0.381 0.000 1.152 162 A CA 1.805 53.321 52.037 -0.869 0.000 0.708 162 A CB -0.866 17.449 19.000 -1.141 0.000 0.805 162 A HN 0.430 7.860 8.150 -1.200 0.000 0.460 163 A N -0.176 122.460 122.820 -0.307 0.000 1.884 163 A HA -0.308 nan 4.320 nan 0.000 0.219 163 A C 0.799 178.369 177.584 -0.024 0.000 1.197 163 A CA 3.106 55.080 52.037 -0.105 0.000 0.637 163 A CB -0.564 18.430 19.000 -0.011 0.000 0.827 163 A HN -0.410 7.330 8.150 -0.412 0.162 0.450 164 D N -4.874 115.541 120.400 0.024 0.000 2.340 164 D HA 0.056 nan 4.640 nan 0.000 0.217 164 D C 0.370 176.670 176.300 -0.001 0.000 1.081 164 D CA -1.057 52.953 54.000 0.017 0.000 0.842 164 D CB 0.589 41.421 40.800 0.054 0.000 0.934 164 D HN 0.080 8.465 8.370 0.024 0.000 0.511 165 G N -2.658 106.135 108.800 -0.012 0.000 3.658 165 G HA2 -0.016 nan 3.960 nan 0.000 0.220 165 G HA3 -0.016 nan 3.960 nan 0.000 0.220 165 G C -0.181 174.769 174.900 0.084 0.000 0.917 165 G CA -0.496 44.634 45.100 0.050 0.000 0.865 165 G HN -0.530 7.560 8.290 -0.059 0.165 0.652 166 G N 0.850 109.617 108.800 -0.056 0.000 2.539 166 G HA2 0.087 nan 3.960 nan 0.000 0.258 166 G HA3 0.087 nan 3.960 nan 0.000 0.258 166 G C -1.791 173.231 174.900 0.203 0.000 1.202 166 G CA -0.280 44.767 45.100 -0.089 0.000 0.851 166 G HN -0.849 7.353 8.290 -0.147 0.000 0.556 167 Y N -4.896 115.616 120.300 0.353 0.000 2.565 167 Y HA 0.205 nan 4.550 nan 0.000 0.330 167 Y C -1.475 174.616 175.900 0.318 0.000 1.150 167 Y CA -1.569 56.789 58.100 0.430 0.000 1.055 167 Y CB 0.835 39.434 38.460 0.230 0.000 1.337 167 Y HN -0.407 7.710 8.280 -0.086 0.112 0.457 168 A N 1.724 124.650 122.820 0.176 0.000 1.825 168 A HA -0.034 nan 4.320 nan 0.000 0.214 168 A C -0.891 176.352 177.584 -0.569 0.000 1.206 168 A CA 2.619 54.333 52.037 -0.539 0.000 0.609 168 A CB 0.673 18.947 19.000 -1.209 0.000 0.851 168 A HN 0.589 9.252 8.150 0.275 -0.348 0.445 169 F N -5.094 114.955 119.950 0.164 0.000 2.556 169 F HA 0.166 nan 4.527 nan 0.000 0.314 169 F C -1.669 174.390 175.800 0.432 0.000 1.106 169 F CA -1.142 57.022 58.000 0.272 0.000 0.911 169 F CB 3.569 42.594 39.000 0.042 0.000 1.190 169 F HN -0.757 7.619 8.300 0.126 0.000 0.448 170 K N 2.817 123.534 120.400 0.529 0.000 2.447 170 K HA -0.046 nan 4.320 nan 0.000 0.281 170 K C -1.578 175.225 176.600 0.338 0.000 1.031 170 K CA -0.431 55.986 56.287 0.217 0.000 1.019 170 K CB 1.090 33.651 32.500 0.103 0.000 0.918 170 K HN 0.361 8.955 8.250 0.575 0.000 0.476 171 Y N 5.092 125.452 120.300 0.100 0.000 2.360 171 Y HA 0.491 nan 4.550 nan 0.000 0.337 171 Y C -0.850 174.990 175.900 -0.099 0.000 1.039 171 Y CA -1.577 56.478 58.100 -0.075 0.000 1.109 171 Y CB 1.900 40.281 38.460 -0.131 0.000 1.201 171 Y HN -0.062 8.359 8.280 0.234 0.000 0.458 172 E N 6.108 125.833 120.200 -0.792 0.000 2.343 172 E HA 0.066 nan 4.350 nan 0.000 0.286 172 E C -1.547 174.648 176.600 -0.676 0.000 0.915 172 E CA -0.175 55.893 56.400 -0.553 0.000 0.784 172 E CB 2.577 32.129 29.700 -0.247 0.000 1.251 172 E HN 0.554 8.260 8.360 -1.090 0.000 0.407 173 N N 4.158 122.563 118.700 -0.492 0.000 2.714 173 N HA -0.403 nan 4.740 nan 0.000 0.252 173 N C -0.553 174.740 175.510 -0.361 0.000 1.014 173 N CA 0.328 53.194 53.050 -0.308 0.000 0.735 173 N CB -0.278 38.096 38.487 -0.188 0.000 0.924 173 N HN 0.677 8.844 8.380 -0.354 0.000 0.540 174 G N -8.146 100.342 108.800 -0.519 0.000 2.162 174 G HA2 -0.449 nan 3.960 nan 0.000 0.260 174 G HA3 -0.449 nan 3.960 nan 0.000 0.260 174 G C -1.152 173.566 174.900 -0.303 0.000 0.976 174 G CA 0.286 45.271 45.100 -0.192 0.000 0.655 174 G HN 0.111 7.876 8.290 -0.876 0.000 0.533 175 K N -0.147 119.883 120.400 -0.617 0.000 2.464 175 K HA 0.407 nan 4.320 nan 0.000 0.253 175 K C -1.633 174.696 176.600 -0.451 0.000 0.933 175 K CA -1.508 54.537 56.287 -0.403 0.000 0.801 175 K CB 3.977 36.320 32.500 -0.261 0.000 1.271 175 K HN -0.459 7.061 8.250 -0.923 0.176 0.430 176 Y N 0.747 121.023 120.300 -0.040 0.000 2.326 176 Y HA 0.173 nan 4.550 nan 0.000 0.337 176 Y C -0.326 175.567 175.900 -0.011 0.000 1.023 176 Y CA -0.717 57.409 58.100 0.044 0.000 1.143 176 Y CB 0.861 39.352 38.460 0.053 0.000 1.183 176 Y HN 0.245 8.537 8.280 0.019 0.000 0.485 177 D N 4.705 125.229 120.400 0.207 0.000 2.359 177 D HA 0.032 nan 4.640 nan 0.000 0.250 177 D C 1.320 177.762 176.300 0.237 0.000 1.264 177 D CA -0.711 53.385 54.000 0.159 0.000 0.911 177 D CB -0.025 40.862 40.800 0.145 0.000 1.056 177 D HN 0.125 8.632 8.370 0.229 0.000 0.499 178 I N 0.160 120.798 120.570 0.114 0.000 3.241 178 I HA -0.063 nan 4.170 nan 0.000 0.280 178 I C 0.206 176.486 176.117 0.271 0.000 1.320 178 I CA 1.599 62.949 61.300 0.083 0.000 1.413 178 I CB -0.040 37.889 38.000 -0.119 0.000 1.060 178 I HN -0.197 8.044 8.210 0.052 0.000 0.500 179 K N -2.570 117.965 120.400 0.224 0.000 2.358 179 K HA 0.233 nan 4.320 nan 0.000 0.200 179 K C -0.925 175.803 176.600 0.214 0.000 1.030 179 K CA -1.489 54.916 56.287 0.197 0.000 1.097 179 K CB 0.336 32.911 32.500 0.125 0.000 0.862 179 K HN -0.465 8.088 8.250 0.186 -0.191 0.534 180 D N 2.159 122.732 120.400 0.287 0.000 2.479 180 D HA 0.174 nan 4.640 nan 0.000 0.247 180 D C -2.365 174.171 176.300 0.393 0.000 1.119 180 D CA -0.895 53.289 54.000 0.308 0.000 0.922 180 D CB 0.270 41.246 40.800 0.293 0.000 1.014 180 D HN -0.356 8.043 8.370 0.336 0.173 0.510 181 V N 2.548 122.579 119.914 0.195 0.000 2.547 181 V HA 0.538 nan 4.120 nan 0.000 0.299 181 V C -0.138 175.787 176.094 -0.282 0.000 1.040 181 V CA -1.863 60.411 62.300 -0.044 0.000 0.913 181 V CB 2.314 34.077 31.823 -0.099 0.000 0.992 181 V HN -0.269 8.014 8.190 0.156 0.000 0.449 182 G N 4.126 112.468 108.800 -0.764 0.000 4.644 182 G HA2 0.411 nan 3.960 nan 0.000 0.307 182 G HA3 0.411 nan 3.960 nan 0.000 0.307 182 G C -0.561 174.138 174.900 -0.336 0.000 1.331 182 G CA -0.266 44.236 45.100 -0.997 0.000 1.059 182 G HN 0.204 8.116 8.290 -0.629 0.000 0.590 183 V N 0.432 120.268 119.914 -0.131 0.000 3.174 183 V HA -0.094 nan 4.120 nan 0.000 0.254 183 V C -0.528 175.547 176.094 -0.032 0.000 1.120 183 V CA 2.518 64.827 62.300 0.015 0.000 1.114 183 V CB 0.222 32.044 31.823 -0.001 0.000 0.756 183 V HN -0.233 8.030 8.190 -0.158 -0.168 0.467 184 D N -1.856 118.508 120.400 -0.060 0.000 2.462 184 D HA 0.072 nan 4.640 nan 0.000 0.221 184 D C -1.525 174.754 176.300 -0.036 0.000 1.173 184 D CA -0.687 53.290 54.000 -0.039 0.000 0.831 184 D CB 0.249 41.033 40.800 -0.027 0.000 1.001 184 D HN -0.396 7.999 8.370 -0.088 -0.078 0.499 185 N N -1.666 117.003 118.700 -0.052 0.000 2.405 185 N HA -0.015 nan 4.740 nan 0.000 0.269 185 N C 1.113 176.614 175.510 -0.017 0.000 1.249 185 N CA -1.076 51.958 53.050 -0.027 0.000 0.974 185 N CB 1.043 39.518 38.487 -0.019 0.000 1.204 185 N HN -0.795 7.479 8.380 -0.082 0.056 0.565 186 A N -2.030 120.790 122.820 0.000 0.000 1.972 186 A HA -0.163 nan 4.320 nan 0.000 0.219 186 A C 1.981 179.569 177.584 0.007 0.000 1.169 186 A CA 3.298 55.338 52.037 0.006 0.000 0.635 186 A CB -0.488 18.519 19.000 0.011 0.000 0.810 186 A HN 0.500 8.655 8.150 0.009 0.000 0.446 187 G N -1.095 107.706 108.800 0.001 0.000 2.404 187 G HA2 -0.331 nan 3.960 nan 0.000 0.215 187 G HA3 -0.331 nan 3.960 nan 0.000 0.215 187 G C 0.994 175.872 174.900 -0.037 0.000 1.174 187 G CA 1.321 46.421 45.100 -0.001 0.000 0.780 187 G HN -0.188 8.162 8.290 0.004 -0.058 0.537 188 A N 1.313 124.082 122.820 -0.084 0.000 1.969 188 A HA -0.202 nan 4.320 nan 0.000 0.218 188 A C 2.109 179.637 177.584 -0.094 0.000 1.169 188 A CA 2.806 54.758 52.037 -0.142 0.000 0.635 188 A CB -0.693 18.233 19.000 -0.124 0.000 0.810 188 A HN 0.054 8.507 8.150 -0.070 -0.345 0.445 189 K N -1.128 119.246 120.400 -0.043 0.000 2.057 189 K HA -0.340 nan 4.320 nan 0.000 0.206 189 K C 2.218 178.822 176.600 0.006 0.000 1.050 189 K CA 3.029 59.304 56.287 -0.021 0.000 0.935 189 K CB -0.074 32.422 32.500 -0.006 0.000 0.715 189 K HN -0.311 7.904 8.250 -0.035 0.015 0.439 190 A N -1.389 121.463 122.820 0.053 0.000 1.883 190 A HA -0.227 nan 4.320 nan 0.000 0.217 190 A C 2.316 179.986 177.584 0.143 0.000 1.186 190 A CA 3.048 55.186 52.037 0.168 0.000 0.624 190 A CB -0.821 18.318 19.000 0.232 0.000 0.822 190 A HN 0.138 8.312 8.150 0.040 0.000 0.444 191 G N -2.234 106.533 108.800 -0.055 0.000 2.402 191 G HA2 -0.245 nan 3.960 nan 0.000 0.216 191 G HA3 -0.245 nan 3.960 nan 0.000 0.216 191 G C 1.090 175.778 174.900 -0.353 0.000 1.162 191 G CA 1.602 46.403 45.100 -0.498 0.000 0.777 191 G HN -0.392 7.893 8.290 -0.007 0.000 0.539 192 L N 0.383 121.490 121.223 -0.193 0.000 2.156 192 L HA -0.063 nan 4.340 nan 0.000 0.208 192 L C 1.716 178.535 176.870 -0.085 0.000 1.095 192 L CA 2.640 57.400 54.840 -0.133 0.000 0.770 192 L CB -0.090 41.917 42.059 -0.087 0.000 0.914 192 L HN -0.090 8.047 8.230 -0.155 0.000 0.439 193 T N 1.442 115.970 114.554 -0.043 0.000 2.995 193 T HA -0.221 nan 4.350 nan 0.000 0.269 193 T C 1.892 176.600 174.700 0.013 0.000 1.091 193 T CA 4.520 66.618 62.100 -0.003 0.000 1.128 193 T CB -0.587 68.306 68.868 0.042 0.000 0.891 193 T HN -0.045 8.157 8.240 -0.038 0.015 0.492 194 F N 2.502 122.352 119.950 -0.167 0.000 2.234 194 F HA -0.111 nan 4.527 nan 0.000 0.296 194 F C 0.624 176.327 175.800 -0.162 0.000 1.089 194 F CA 2.541 60.440 58.000 -0.168 0.000 1.343 194 F CB 0.533 39.290 39.000 -0.405 0.000 1.040 194 F HN -1.031 7.117 8.300 0.001 0.153 0.498 195 L N -0.464 120.687 121.223 -0.120 0.000 2.027 195 L HA -0.312 nan 4.340 nan 0.000 0.206 195 L C 1.774 178.572 176.870 -0.120 0.000 1.074 195 L CA 3.508 58.276 54.840 -0.121 0.000 0.745 195 L CB -0.270 41.722 42.059 -0.111 0.000 0.898 195 L HN -0.482 7.680 8.230 -0.113 0.000 0.433 196 V N -1.384 118.466 119.914 -0.106 0.000 2.407 196 V HA -0.512 nan 4.120 nan 0.000 0.248 196 V C 2.107 178.139 176.094 -0.102 0.000 1.055 196 V CA 4.300 66.547 62.300 -0.088 0.000 1.049 196 V CB -1.218 30.566 31.823 -0.066 0.000 0.662 196 V HN -0.326 7.804 8.190 -0.099 0.000 0.455 197 D N 0.040 120.356 120.400 -0.140 0.000 2.104 197 D HA -0.264 nan 4.640 nan 0.000 0.194 197 D C 2.180 178.398 176.300 -0.137 0.000 0.994 197 D CA 3.341 57.251 54.000 -0.150 0.000 0.830 197 D CB -0.656 40.023 40.800 -0.203 0.000 0.959 197 D HN -0.729 7.550 8.370 -0.152 0.000 0.452 198 L N -1.443 119.675 121.223 -0.175 0.000 2.081 198 L HA -0.412 nan 4.340 nan 0.000 0.212 198 L C 2.019 178.882 176.870 -0.012 0.000 1.080 198 L CA 3.255 58.093 54.840 -0.004 0.000 0.754 198 L CB -0.251 41.811 42.059 0.006 0.000 0.893 198 L HN -0.489 7.564 8.230 -0.295 0.000 0.433 199 I N -2.285 118.249 120.570 -0.059 0.000 2.406 199 I HA -0.395 nan 4.170 nan 0.000 0.249 199 I C 2.626 178.691 176.117 -0.087 0.000 1.122 199 I CA 3.499 64.760 61.300 -0.066 0.000 1.431 199 I CB -0.328 37.632 38.000 -0.067 0.000 1.087 199 I HN -0.658 7.385 8.210 -0.079 0.119 0.424 200 K N -0.705 119.641 120.400 -0.091 0.000 2.155 200 K HA -0.172 nan 4.320 nan 0.000 0.203 200 K C 1.357 177.883 176.600 -0.124 0.000 1.052 200 K CA 2.036 58.269 56.287 -0.090 0.000 0.948 200 K CB -0.360 32.096 32.500 -0.073 0.000 0.728 200 K HN 0.236 8.246 8.250 -0.089 0.187 0.448 201 N N -2.139 116.457 118.700 -0.174 0.000 2.383 201 N HA -0.004 nan 4.740 nan 0.000 0.192 201 N C -1.135 174.078 175.510 -0.494 0.000 1.141 201 N CA -0.289 52.585 53.050 -0.294 0.000 0.851 201 N CB -0.092 38.232 38.487 -0.271 0.000 0.976 201 N HN -0.205 8.067 8.380 -0.147 0.020 0.465 202 K N -5.253 114.960 120.400 -0.312 0.000 3.281 202 K HA -0.452 nan 4.320 nan 0.000 0.295 202 K C 0.472 176.943 176.600 -0.215 0.000 1.233 202 K CA 1.576 57.727 56.287 -0.226 0.000 0.866 202 K CB -2.540 29.857 32.500 -0.171 0.000 1.265 202 K HN -0.556 7.355 8.250 -0.213 0.212 0.482 203 H N -3.610 115.454 119.070 -0.010 0.000 2.529 203 H HA -0.179 nan 4.556 nan 0.000 0.277 203 H C -0.189 175.156 175.328 0.027 0.000 0.999 203 H CA 1.992 58.049 56.048 0.016 0.000 1.256 203 H CB 0.731 30.508 29.762 0.026 0.000 1.402 203 H HN -0.121 7.877 8.280 -0.396 0.044 0.566 204 M N -3.333 116.322 119.600 0.092 0.000 2.575 204 M HA 0.137 nan 4.480 nan 0.000 0.284 204 M C -1.758 174.530 176.300 -0.019 0.000 1.253 204 M CA -0.725 54.599 55.300 0.040 0.000 0.861 204 M CB 4.568 37.189 32.600 0.034 0.000 1.733 204 M HN -0.796 7.481 8.290 0.039 0.036 0.462 205 N N 0.697 119.375 118.700 -0.036 0.000 2.408 205 N HA 0.266 nan 4.740 nan 0.000 0.280 205 N C 0.059 175.527 175.510 -0.069 0.000 1.002 205 N CA -1.193 51.829 53.050 -0.047 0.000 0.907 205 N CB 1.247 39.712 38.487 -0.036 0.000 1.161 205 N HN 0.453 8.813 8.380 -0.034 0.000 0.488 206 A N 3.856 126.637 122.820 -0.065 0.000 2.125 206 A HA -0.211 nan 4.320 nan 0.000 0.219 206 A C -0.189 177.354 177.584 -0.068 0.000 1.156 206 A CA 2.430 54.424 52.037 -0.072 0.000 0.671 206 A CB -0.635 18.330 19.000 -0.058 0.000 0.794 206 A HN 0.494 8.610 8.150 -0.056 0.000 0.459 207 D N -6.934 113.432 120.400 -0.057 0.000 2.328 207 D HA -0.032 nan 4.640 nan 0.000 0.221 207 D C 0.060 176.327 176.300 -0.055 0.000 1.072 207 D CA -0.160 53.811 54.000 -0.048 0.000 0.850 207 D CB -0.751 40.029 40.800 -0.034 0.000 0.922 207 D HN -0.264 8.025 8.370 -0.052 0.050 0.516 208 T N 4.846 119.353 114.554 -0.078 0.000 2.817 208 T HA -0.052 nan 4.350 nan 0.000 0.295 208 T C -0.868 173.771 174.700 -0.101 0.000 0.958 208 T CA 2.358 64.405 62.100 -0.087 0.000 1.157 208 T CB 0.016 68.816 68.868 -0.114 0.000 0.898 208 T HN -0.384 7.733 8.240 -0.088 0.070 0.536 209 D N 5.980 126.337 120.400 -0.070 0.000 2.616 209 D HA 0.165 nan 4.640 nan 0.000 0.260 209 D C 0.135 176.399 176.300 -0.059 0.000 1.158 209 D CA -1.545 52.420 54.000 -0.058 0.000 1.085 209 D CB 1.688 42.481 40.800 -0.012 0.000 1.222 209 D HN -0.282 8.058 8.370 -0.051 0.000 0.626 210 Y N -0.082 120.115 120.300 -0.171 0.000 2.145 210 Y HA -0.433 nan 4.550 nan 0.000 0.286 210 Y C 1.911 177.764 175.900 -0.078 0.000 1.145 210 Y CA 4.170 62.162 58.100 -0.179 0.000 1.148 210 Y CB 0.141 38.502 38.460 -0.165 0.000 0.981 210 Y HN 0.167 8.495 8.280 0.080 0.000 0.507 211 S N -0.956 114.847 115.700 0.171 0.000 2.356 211 S HA -0.308 nan 4.470 nan 0.000 0.223 211 S C 2.020 176.624 174.600 0.008 0.000 1.032 211 S CA 3.077 61.343 58.200 0.110 0.000 1.005 211 S CB -0.859 62.401 63.200 0.100 0.000 0.867 211 S HN -0.119 8.354 8.310 0.186 -0.052 0.449 212 I N 1.186 121.752 120.570 -0.007 0.000 2.127 212 I HA -0.575 nan 4.170 nan 0.000 0.241 212 I C 1.363 177.462 176.117 -0.030 0.000 1.075 212 I CA 4.233 65.523 61.300 -0.017 0.000 1.334 212 I CB -0.239 37.748 38.000 -0.021 0.000 1.040 212 I HN 0.022 8.597 8.210 0.003 -0.363 0.405 213 A N -2.207 120.571 122.820 -0.069 0.000 1.972 213 A HA -0.361 nan 4.320 nan 0.000 0.219 213 A C 1.802 179.355 177.584 -0.052 0.000 1.169 213 A CA 3.183 55.188 52.037 -0.052 0.000 0.635 213 A CB -1.073 17.879 19.000 -0.080 0.000 0.810 213 A HN -0.378 7.716 8.150 -0.094 0.000 0.446 214 E N -0.919 119.190 120.200 -0.151 0.000 2.072 214 E HA -0.315 nan 4.350 nan 0.000 0.191 214 E C 2.026 178.636 176.600 0.016 0.000 0.985 214 E CA 2.662 58.995 56.400 -0.111 0.000 0.801 214 E CB -0.041 29.532 29.700 -0.211 0.000 0.750 214 E HN -0.423 7.792 8.360 -0.216 0.015 0.452 215 A N -0.829 121.995 122.820 0.007 0.000 1.902 215 A HA -0.254 nan 4.320 nan 0.000 0.217 215 A C 2.034 179.635 177.584 0.028 0.000 1.181 215 A CA 2.998 55.048 52.037 0.022 0.000 0.623 215 A CB -0.860 18.150 19.000 0.016 0.000 0.818 215 A HN -0.148 7.993 8.150 -0.016 0.000 0.443 216 A N -1.813 121.031 122.820 0.039 0.000 1.898 216 A HA -0.241 nan 4.320 nan 0.000 0.216 216 A C 1.432 179.051 177.584 0.058 0.000 1.181 216 A CA 2.860 54.923 52.037 0.043 0.000 0.620 216 A CB -0.583 18.449 19.000 0.054 0.000 0.819 216 A HN -0.240 7.929 8.150 0.032 0.000 0.442 217 F N -1.877 118.058 119.950 -0.024 0.000 2.206 217 F HA -0.298 nan 4.527 nan 0.000 0.298 217 F C 2.335 178.116 175.800 -0.032 0.000 1.090 217 F CA 3.386 61.372 58.000 -0.023 0.000 1.323 217 F CB 0.507 39.487 39.000 -0.033 0.000 1.028 217 F HN -0.343 8.087 8.300 0.217 0.000 0.492 218 N N -0.510 118.209 118.700 0.031 0.000 2.409 218 N HA -0.179 nan 4.740 nan 0.000 0.179 218 N C 1.046 176.501 175.510 -0.093 0.000 1.032 218 N CA 2.158 55.186 53.050 -0.037 0.000 0.898 218 N CB 0.129 38.644 38.487 0.046 0.000 0.971 218 N HN -0.155 8.304 8.380 0.131 0.000 0.441 219 K N -3.173 117.179 120.400 -0.079 0.000 2.404 219 K HA 0.089 nan 4.320 nan 0.000 0.194 219 K C -0.227 176.309 176.600 -0.107 0.000 1.023 219 K CA -0.271 55.973 56.287 -0.071 0.000 1.094 219 K CB 0.276 32.755 32.500 -0.036 0.000 0.841 219 K HN -0.472 7.624 8.250 -0.051 0.123 0.523 220 G N -1.453 107.235 108.800 -0.187 0.000 2.143 220 G HA2 -0.327 nan 3.960 nan 0.000 0.249 220 G HA3 -0.327 nan 3.960 nan 0.000 0.249 220 G C 0.828 175.656 174.900 -0.120 0.000 0.981 220 G CA 0.623 45.601 45.100 -0.203 0.000 0.665 220 G HN -0.500 7.451 8.290 -0.244 0.193 0.528 221 E N -0.568 119.587 120.200 -0.075 0.000 2.285 221 E HA -0.157 nan 4.350 nan 0.000 0.194 221 E C -0.773 175.830 176.600 0.006 0.000 0.997 221 E CA 1.591 57.977 56.400 -0.024 0.000 0.845 221 E CB 0.595 30.292 29.700 -0.006 0.000 0.782 221 E HN 0.206 8.475 8.360 -0.078 0.044 0.491 222 T N -3.333 111.234 114.554 0.022 0.000 2.893 222 T HA 0.408 nan 4.350 nan 0.000 0.291 222 T C -1.203 173.576 174.700 0.132 0.000 1.028 222 T CA -2.132 60.026 62.100 0.096 0.000 0.995 222 T CB 1.472 70.432 68.868 0.153 0.000 1.051 222 T HN -0.818 7.383 8.240 -0.017 0.028 0.470 223 A N 5.053 127.966 122.820 0.156 0.000 2.072 223 A HA 0.216 nan 4.320 nan 0.000 0.216 223 A C -0.596 177.210 177.584 0.371 0.000 1.156 223 A CA 1.547 53.699 52.037 0.191 0.000 0.701 223 A CB 1.163 20.242 19.000 0.133 0.000 0.816 223 A HN 0.749 8.979 8.150 0.134 0.000 0.458 224 M N -6.436 113.370 119.600 0.344 0.000 2.618 224 M HA 0.623 nan 4.480 nan 0.000 0.281 224 M C -1.988 174.375 176.300 0.106 0.000 1.267 224 M CA -0.737 54.704 55.300 0.236 0.000 0.845 224 M CB 5.376 38.029 32.600 0.088 0.000 1.732 224 M HN -0.606 7.852 8.290 0.279 0.000 0.461 225 T N 0.096 114.556 114.554 -0.157 0.000 2.792 225 T HA 0.638 nan 4.350 nan 0.000 0.303 225 T C -2.292 172.308 174.700 -0.166 0.000 1.310 225 T CA -1.150 60.849 62.100 -0.169 0.000 1.007 225 T CB 3.087 71.731 68.868 -0.373 0.000 1.335 225 T HN 0.678 8.792 8.240 -0.209 0.000 0.504 226 I N 2.384 122.917 120.570 -0.062 0.000 2.439 226 I HA 0.644 nan 4.170 nan 0.000 0.285 226 I C -2.400 173.816 176.117 0.164 0.000 1.021 226 I CA -0.657 60.621 61.300 -0.036 0.000 1.091 226 I CB 1.521 39.396 38.000 -0.207 0.000 1.242 226 I HN 0.375 8.617 8.210 0.055 0.000 0.439 227 N N 5.611 124.388 118.700 0.129 0.000 3.106 227 N HA 0.282 nan 4.740 nan 0.000 0.253 227 N C -2.084 173.516 175.510 0.151 0.000 1.506 227 N CA -1.049 52.139 53.050 0.231 0.000 0.876 227 N CB 4.266 42.842 38.487 0.148 0.000 1.452 227 N HN -0.305 8.112 8.380 0.061 0.000 0.542 228 G N -1.766 107.104 108.800 0.116 0.000 2.932 228 G HA2 0.555 nan 3.960 nan 0.000 0.283 228 G HA3 0.555 nan 3.960 nan 0.000 0.283 228 G C -1.512 173.163 174.900 -0.374 0.000 1.336 228 G CA -2.013 43.065 45.100 -0.037 0.000 1.056 228 G HN 0.202 8.603 8.290 0.186 0.000 0.522 229 P HA -0.252 nan 4.420 nan 0.000 0.217 229 P C 1.411 178.135 177.300 -0.960 0.000 1.148 229 P CA 2.600 64.762 63.100 -1.563 0.000 0.834 229 P CB -0.167 30.922 31.700 -1.019 0.000 0.783 230 R N -3.850 116.384 120.500 -0.444 0.000 2.152 230 R HA -0.099 nan 4.340 nan 0.000 0.232 230 R C 1.233 177.477 176.300 -0.093 0.000 1.117 230 R CA 2.169 58.144 56.100 -0.207 0.000 0.981 230 R CB -1.544 28.695 30.300 -0.101 0.000 0.870 230 R HN 0.184 8.208 8.270 -0.355 0.034 0.451 231 A N -2.643 120.129 122.820 -0.080 0.000 2.016 231 A HA 0.045 nan 4.320 nan 0.000 0.217 231 A C 1.534 179.205 177.584 0.143 0.000 1.162 231 A CA 1.717 53.798 52.037 0.075 0.000 0.662 231 A CB -0.200 18.860 19.000 0.099 0.000 0.812 231 A HN 0.115 8.007 8.150 -0.189 0.144 0.450 232 W N -1.308 119.993 121.300 0.001 0.000 2.321 232 W HA -0.385 nan 4.660 nan 0.000 0.306 232 W C 1.664 178.200 176.519 0.027 0.000 1.217 232 W CA 1.665 59.007 57.345 -0.006 0.000 1.257 232 W CB -1.246 28.276 29.460 0.104 0.000 1.145 232 W HN -0.461 7.620 8.180 -0.110 0.033 0.509 233 S N -1.779 114.081 115.700 0.265 0.000 2.370 233 S HA -0.467 nan 4.470 nan 0.000 0.226 233 S C 2.195 176.873 174.600 0.129 0.000 1.033 233 S CA 2.772 61.078 58.200 0.177 0.000 1.011 233 S CB -0.616 62.655 63.200 0.119 0.000 0.852 233 S HN 0.022 8.465 8.310 0.222 0.000 0.457 234 N N 2.402 121.166 118.700 0.107 0.000 2.244 234 N HA -0.200 nan 4.740 nan 0.000 0.183 234 N C 2.238 177.789 175.510 0.067 0.000 1.016 234 N CA 2.664 55.763 53.050 0.082 0.000 0.866 234 N CB 0.078 38.614 38.487 0.081 0.000 0.980 234 N HN -0.732 7.717 8.380 0.114 0.000 0.430 235 I N 0.283 120.879 120.570 0.043 0.000 2.394 235 I HA -0.532 nan 4.170 nan 0.000 0.251 235 I C 1.246 177.404 176.117 0.068 0.000 1.136 235 I CA 3.773 65.061 61.300 -0.020 0.000 1.425 235 I CB -0.410 37.391 38.000 -0.332 0.000 1.079 235 I HN -0.755 7.405 8.210 0.054 0.083 0.425 236 D N 0.010 120.494 120.400 0.140 0.000 2.117 236 D HA -0.228 nan 4.640 nan 0.000 0.197 236 D C 2.616 178.979 176.300 0.106 0.000 0.987 236 D CA 3.316 57.423 54.000 0.178 0.000 0.829 236 D CB -0.449 40.456 40.800 0.174 0.000 0.961 236 D HN -0.121 8.224 8.370 0.135 0.106 0.460 237 T N 0.832 115.434 114.554 0.081 0.000 2.788 237 T HA -0.136 nan 4.350 nan 0.000 0.268 237 T C 1.555 176.281 174.700 0.042 0.000 1.044 237 T CA 2.597 64.730 62.100 0.055 0.000 1.139 237 T CB -0.221 68.676 68.868 0.049 0.000 0.867 237 T HN -0.597 7.617 8.240 0.086 0.078 0.454 238 S N 1.094 116.819 115.700 0.042 0.000 2.423 238 S HA -0.212 nan 4.470 nan 0.000 0.231 238 S C 0.653 175.260 174.600 0.012 0.000 1.014 238 S CA 1.433 59.644 58.200 0.018 0.000 0.965 238 S CB 0.645 63.848 63.200 0.005 0.000 0.785 238 S HN -0.555 7.665 8.310 0.052 0.120 0.495 239 K N -4.202 116.221 120.400 0.039 0.000 3.230 239 K HA -0.390 nan 4.320 nan 0.000 0.285 239 K C -1.148 175.463 176.600 0.019 0.000 1.196 239 K CA 0.682 56.990 56.287 0.034 0.000 0.838 239 K CB -1.516 30.992 32.500 0.012 0.000 1.262 239 K HN -0.456 7.691 8.250 0.063 0.142 0.492 240 V N -0.785 119.143 119.914 0.023 0.000 2.614 240 V HA -0.088 nan 4.120 nan 0.000 0.291 240 V C 0.001 176.145 176.094 0.083 0.000 1.049 240 V CA 0.463 62.750 62.300 -0.021 0.000 1.038 240 V CB 0.440 32.165 31.823 -0.163 0.000 0.980 240 V HN -0.491 7.682 8.190 0.037 0.039 0.481 241 N N 7.196 125.899 118.700 0.006 0.000 2.448 241 N HA 0.051 nan 4.740 nan 0.000 0.250 241 N C -2.003 173.496 175.510 -0.018 0.000 1.136 241 N CA -0.517 52.519 53.050 -0.023 0.000 0.953 241 N CB 0.018 38.465 38.487 -0.066 0.000 1.251 241 N HN 0.282 8.639 8.380 -0.040 0.000 0.502 242 Y N 2.068 122.284 120.300 -0.140 0.000 2.509 242 Y HA 0.799 nan 4.550 nan 0.000 0.341 242 Y C -1.661 174.034 175.900 -0.342 0.000 1.038 242 Y CA -3.233 54.754 58.100 -0.188 0.000 1.089 242 Y CB 3.042 41.522 38.460 0.034 0.000 1.241 242 Y HN -0.623 7.624 8.280 -0.056 0.000 0.468 243 G N -1.236 107.257 108.800 -0.512 0.000 2.498 243 G HA2 0.238 nan 3.960 nan 0.000 0.312 243 G HA3 0.238 nan 3.960 nan 0.000 0.312 243 G C -2.738 172.084 174.900 -0.131 0.000 1.230 243 G CA -1.812 42.983 45.100 -0.509 0.000 0.968 243 G HN 0.228 8.117 8.290 -0.668 0.000 0.481 244 V N 0.150 120.064 119.914 0.000 0.000 2.531 244 V HA 0.634 nan 4.120 nan 0.000 0.301 244 V C -1.195 174.971 176.094 0.121 0.000 1.034 244 V CA -1.193 61.164 62.300 0.095 0.000 0.865 244 V CB 2.175 34.000 31.823 0.004 0.000 0.995 244 V HN 0.118 8.264 8.190 -0.073 0.000 0.424 245 T N 6.773 121.408 114.554 0.135 0.000 2.812 245 T HA 0.428 nan 4.350 nan 0.000 0.294 245 T C -1.775 172.928 174.700 0.004 0.000 1.159 245 T CA -2.217 59.921 62.100 0.063 0.000 1.008 245 T CB 4.096 72.989 68.868 0.041 0.000 1.289 245 T HN 0.451 8.777 8.240 0.143 0.000 0.514 246 V N 2.343 122.237 119.914 -0.032 0.000 2.788 246 V HA -0.036 nan 4.120 nan 0.000 0.307 246 V C -0.188 175.851 176.094 -0.091 0.000 1.069 246 V CA 0.233 62.501 62.300 -0.054 0.000 1.173 246 V CB 0.415 32.202 31.823 -0.061 0.000 0.925 246 V HN 0.335 8.505 8.190 -0.033 0.000 0.492 247 L N 8.731 129.901 121.223 -0.088 0.000 2.473 247 L HA 0.199 nan 4.340 nan 0.000 0.268 247 L C -1.774 174.997 176.870 -0.165 0.000 1.215 247 L CA -0.804 53.955 54.840 -0.136 0.000 0.823 247 L CB -0.712 41.308 42.059 -0.064 0.000 1.099 247 L HN 0.091 8.629 8.230 -0.062 -0.345 0.483 248 P HA 0.062 nan 4.420 nan 0.000 0.269 248 P C -1.206 176.077 177.300 -0.029 0.000 1.215 248 P CA -0.374 62.528 63.100 -0.330 0.000 0.780 248 P CB 0.491 31.718 31.700 -0.787 0.000 0.898 249 T N -2.691 111.878 114.554 0.025 0.000 2.882 249 T HA 0.502 nan 4.350 nan 0.000 0.287 249 T C -1.365 173.501 174.700 0.276 0.000 1.014 249 T CA -1.344 60.826 62.100 0.116 0.000 1.049 249 T CB 1.474 70.350 68.868 0.014 0.000 1.001 249 T HN 0.250 8.461 8.240 -0.047 0.000 0.525 250 F N 2.356 122.320 119.950 0.024 0.000 2.536 250 F HA 0.393 nan 4.527 nan 0.000 0.322 250 F C -0.851 174.871 175.800 -0.130 0.000 1.144 250 F CA -1.948 55.984 58.000 -0.113 0.000 0.924 250 F CB 2.840 41.666 39.000 -0.292 0.000 1.181 250 F HN 0.553 8.852 8.300 0.172 0.104 0.438 251 K N 8.260 128.189 120.400 -0.785 0.000 3.069 251 K HA -0.404 nan 4.320 nan 0.000 0.267 251 K C -0.434 175.994 176.600 -0.285 0.000 1.082 251 K CA 0.923 56.855 56.287 -0.592 0.000 0.782 251 K CB -2.055 30.010 32.500 -0.726 0.000 1.230 251 K HN 0.974 9.220 8.250 -0.783 -0.465 0.488 252 G N -5.982 102.705 108.800 -0.188 0.000 2.162 252 G HA2 -0.423 nan 3.960 nan 0.000 0.260 252 G HA3 -0.423 nan 3.960 nan 0.000 0.260 252 G C -0.365 174.488 174.900 -0.078 0.000 0.976 252 G CA 0.161 45.196 45.100 -0.109 0.000 0.655 252 G HN 0.339 8.488 8.290 -0.186 0.030 0.533 253 Q N -0.343 119.413 119.800 -0.072 0.000 2.309 253 Q HA 0.517 nan 4.340 nan 0.000 0.264 253 Q C -2.433 173.567 176.000 -0.000 0.000 1.008 253 Q CA -3.518 52.262 55.803 -0.039 0.000 0.853 253 Q CB 0.556 29.268 28.738 -0.044 0.000 1.314 253 Q HN -0.309 7.705 8.270 -0.100 0.196 0.448 254 P HA -0.070 nan 4.420 nan 0.000 0.268 254 P C -1.273 176.034 177.300 0.011 0.000 1.205 254 P CA 0.082 63.181 63.100 -0.002 0.000 0.771 254 P CB 0.303 31.986 31.700 -0.029 0.000 0.858 255 S N 3.463 119.192 115.700 0.050 0.000 2.568 255 S HA -0.094 nan 4.470 nan 0.000 0.282 255 S C -0.744 173.830 174.600 -0.044 0.000 1.338 255 S CA 1.501 59.723 58.200 0.037 0.000 1.045 255 S CB 0.699 63.988 63.200 0.149 0.000 0.873 255 S HN 0.098 8.449 8.310 0.069 0.000 0.516 256 K N 5.722 126.053 120.400 -0.115 0.000 2.540 256 K HA 0.383 nan 4.320 nan 0.000 0.218 256 K C -2.428 174.102 176.600 -0.117 0.000 1.017 256 K CA -2.667 53.555 56.287 -0.110 0.000 1.029 256 K CB 0.645 33.077 32.500 -0.114 0.000 1.348 256 K HN -0.072 7.972 8.250 -0.178 0.099 0.508 257 P HA 0.100 nan 4.420 nan 0.000 0.274 257 P C -0.817 176.498 177.300 0.025 0.000 1.231 257 P CA -0.794 62.264 63.100 -0.071 0.000 0.790 257 P CB 0.773 32.430 31.700 -0.072 0.000 0.951 258 F N -0.070 119.957 119.950 0.129 0.000 2.484 258 F HA 0.064 nan 4.527 nan 0.000 0.360 258 F C 0.356 176.268 175.800 0.187 0.000 1.101 258 F CA 1.104 59.222 58.000 0.198 0.000 1.251 258 F CB 0.390 39.576 39.000 0.310 0.000 1.132 258 F HN 0.157 8.465 8.300 0.013 0.000 0.570 259 V N 4.312 124.474 119.914 0.413 0.000 2.370 259 V HA 0.276 nan 4.120 nan 0.000 0.279 259 V C -0.746 175.527 176.094 0.297 0.000 1.029 259 V CA -1.219 61.247 62.300 0.277 0.000 0.870 259 V CB 0.694 32.639 31.823 0.204 0.000 0.984 259 V HN 0.488 8.862 8.190 0.465 0.095 0.451 260 G N 6.221 115.168 108.800 0.245 0.000 2.372 260 G HA2 0.509 nan 3.960 nan 0.000 0.323 260 G HA3 0.509 nan 3.960 nan 0.000 0.323 260 G C -2.749 172.215 174.900 0.106 0.000 1.152 260 G CA -1.417 43.832 45.100 0.249 0.000 0.906 260 G HN 0.102 8.518 8.290 0.210 0.000 0.460 261 V N 5.124 125.109 119.914 0.118 0.000 2.350 261 V HA 0.392 nan 4.120 nan 0.000 0.285 261 V C -0.882 175.189 176.094 -0.038 0.000 1.014 261 V CA -1.523 60.736 62.300 -0.068 0.000 0.831 261 V CB 1.458 33.098 31.823 -0.305 0.000 1.000 261 V HN 0.282 8.843 8.190 0.618 0.000 0.433 262 L N 9.406 130.594 121.223 -0.058 0.000 2.513 262 L HA 0.081 nan 4.340 nan 0.000 0.272 262 L C -1.791 175.059 176.870 -0.033 0.000 1.187 262 L CA 0.706 55.513 54.840 -0.054 0.000 0.895 262 L CB 0.611 42.668 42.059 -0.004 0.000 1.147 262 L HN -0.109 8.091 8.230 -0.050 0.000 0.483 263 S N 6.750 122.395 115.700 -0.093 0.000 2.599 263 S HA 0.769 nan 4.470 nan 0.000 0.287 263 S C -2.526 172.049 174.600 -0.042 0.000 1.105 263 S CA -1.280 56.856 58.200 -0.106 0.000 0.899 263 S CB 3.531 66.546 63.200 -0.309 0.000 1.100 263 S HN 0.646 8.763 8.310 -0.137 0.111 0.482 264 A N 0.963 123.773 122.820 -0.017 0.000 2.304 264 A HA 0.850 nan 4.320 nan 0.000 0.314 264 A C -1.788 175.880 177.584 0.139 0.000 1.187 264 A CA -1.857 50.016 52.037 -0.274 0.000 0.810 264 A CB 2.125 20.710 19.000 -0.692 0.000 1.183 264 A HN 0.581 8.783 8.150 0.087 0.000 0.487 265 G N 1.689 110.577 108.800 0.148 0.000 2.473 265 G HA2 0.747 nan 3.960 nan 0.000 0.321 265 G HA3 0.747 nan 3.960 nan 0.000 0.321 265 G C -2.639 172.221 174.900 -0.068 0.000 1.200 265 G CA -2.126 43.008 45.100 0.057 0.000 0.963 265 G HN 0.901 9.124 8.290 0.072 0.110 0.483 266 I N -0.273 120.277 120.570 -0.032 0.000 2.354 266 I HA 0.178 nan 4.170 nan 0.000 0.292 266 I C -0.875 175.219 176.117 -0.038 0.000 0.989 266 I CA -1.148 60.135 61.300 -0.028 0.000 1.188 266 I CB 1.872 39.888 38.000 0.026 0.000 1.342 266 I HN 0.307 8.512 8.210 -0.008 0.000 0.457 267 N N 7.947 126.631 118.700 -0.026 0.000 2.411 267 N HA -0.217 nan 4.740 nan 0.000 0.265 267 N C 1.070 176.561 175.510 -0.032 0.000 1.266 267 N CA 0.791 53.850 53.050 0.014 0.000 0.889 267 N CB 0.561 39.042 38.487 -0.010 0.000 1.069 267 N HN 0.165 8.408 8.380 -0.048 0.108 0.476 268 A N 7.453 130.250 122.820 -0.039 0.000 2.024 268 A HA -0.251 nan 4.320 nan 0.000 0.220 268 A C 0.804 178.353 177.584 -0.059 0.000 1.164 268 A CA 2.975 54.984 52.037 -0.047 0.000 0.643 268 A CB -0.215 18.754 19.000 -0.052 0.000 0.806 268 A HN 0.427 8.458 8.150 -0.031 0.100 0.451 269 A N -4.728 118.042 122.820 -0.084 0.000 2.251 269 A HA 0.070 nan 4.320 nan 0.000 0.209 269 A C -0.428 177.109 177.584 -0.079 0.000 1.187 269 A CA -0.610 51.374 52.037 -0.089 0.000 0.823 269 A CB -0.434 18.492 19.000 -0.124 0.000 0.846 269 A HN -0.570 7.743 8.150 -0.099 -0.222 0.486 270 S N 0.382 116.040 115.700 -0.069 0.000 2.531 270 S HA 0.265 nan 4.470 nan 0.000 0.279 270 S C -0.870 173.702 174.600 -0.046 0.000 1.305 270 S CA -3.299 54.863 58.200 -0.064 0.000 1.058 270 S CB 0.814 63.978 63.200 -0.060 0.000 0.899 270 S HN -0.467 7.603 8.310 -0.063 0.202 0.493 271 P HA 0.133 nan 4.420 nan 0.000 0.255 271 P C -0.653 176.636 177.300 -0.019 0.000 1.248 271 P CA 0.277 63.360 63.100 -0.029 0.000 0.807 271 P CB 0.074 31.756 31.700 -0.030 0.000 1.150 272 N N 0.314 119.001 118.700 -0.022 0.000 2.535 272 N HA 0.230 nan 4.740 nan 0.000 0.294 272 N C 0.092 175.599 175.510 -0.006 0.000 1.408 272 N CA -0.550 52.493 53.050 -0.011 0.000 0.927 272 N CB 0.259 38.731 38.487 -0.024 0.000 1.276 272 N HN -0.324 7.942 8.380 -0.033 0.095 0.505 273 K N 0.805 121.205 120.400 0.001 0.000 2.217 273 K HA -0.265 nan 4.320 nan 0.000 0.202 273 K C 1.405 178.024 176.600 0.032 0.000 1.051 273 K CA 4.028 60.323 56.287 0.013 0.000 0.952 273 K CB -0.222 32.286 32.500 0.012 0.000 0.736 273 K HN 0.060 8.250 8.250 -0.002 0.058 0.453 274 E N -1.410 118.812 120.200 0.036 0.000 2.076 274 E HA -0.214 nan 4.350 nan 0.000 0.190 274 E C 2.187 178.833 176.600 0.076 0.000 0.979 274 E CA 2.905 59.336 56.400 0.052 0.000 0.807 274 E CB -0.825 28.904 29.700 0.048 0.000 0.761 274 E HN 0.263 8.621 8.360 0.028 0.019 0.454 275 L N -0.822 120.449 121.223 0.080 0.000 2.042 275 L HA -0.312 nan 4.340 nan 0.000 0.210 275 L C 1.761 178.659 176.870 0.047 0.000 1.076 275 L CA 3.013 57.931 54.840 0.130 0.000 0.749 275 L CB -0.322 41.807 42.059 0.117 0.000 0.893 275 L HN -0.459 7.807 8.230 0.059 0.000 0.432 276 A N -1.807 121.013 122.820 0.001 0.000 1.902 276 A HA -0.363 nan 4.320 nan 0.000 0.217 276 A C 1.558 179.160 177.584 0.029 0.000 1.181 276 A CA 3.262 55.289 52.037 -0.018 0.000 0.623 276 A CB -0.976 18.018 19.000 -0.010 0.000 0.818 276 A HN -0.153 7.996 8.150 0.010 0.007 0.443 277 K N -1.490 118.939 120.400 0.049 0.000 2.097 277 K HA -0.322 nan 4.320 nan 0.000 0.206 277 K C 1.939 178.527 176.600 -0.020 0.000 1.049 277 K CA 3.190 59.494 56.287 0.030 0.000 0.933 277 K CB -0.043 32.500 32.500 0.072 0.000 0.717 277 K HN -0.459 7.825 8.250 0.056 0.000 0.442 278 E N 0.143 120.385 120.200 0.069 0.000 2.047 278 E HA -0.290 nan 4.350 nan 0.000 0.191 278 E C 2.110 178.825 176.600 0.192 0.000 0.987 278 E CA 2.629 59.128 56.400 0.166 0.000 0.799 278 E CB -0.492 29.385 29.700 0.296 0.000 0.752 278 E HN -0.478 7.837 8.360 0.088 0.098 0.449 279 F N 0.504 120.339 119.950 -0.191 0.000 2.095 279 F HA -0.347 nan 4.527 nan 0.000 0.298 279 F C 1.407 177.130 175.800 -0.127 0.000 1.104 279 F CA 3.734 61.476 58.000 -0.430 0.000 1.232 279 F CB 0.281 38.779 39.000 -0.837 0.000 0.987 279 F HN -0.180 8.139 8.300 0.031 0.000 0.475 280 L N -3.020 118.131 121.223 -0.121 0.000 2.023 280 L HA -0.454 nan 4.340 nan 0.000 0.205 280 L C 2.129 178.788 176.870 -0.351 0.000 1.073 280 L CA 3.412 58.079 54.840 -0.289 0.000 0.745 280 L CB -0.228 41.571 42.059 -0.433 0.000 0.900 280 L HN -0.101 8.121 8.230 -0.014 0.000 0.435 281 E N -1.581 118.371 120.200 -0.415 0.000 2.152 281 E HA -0.270 nan 4.350 nan 0.000 0.192 281 E C 1.648 178.211 176.600 -0.061 0.000 0.983 281 E CA 2.669 58.817 56.400 -0.419 0.000 0.818 281 E CB 0.021 29.291 29.700 -0.716 0.000 0.758 281 E HN -0.014 8.117 8.360 -0.382 0.000 0.467 282 N N -4.443 114.252 118.700 -0.008 0.000 2.184 282 N HA 0.109 nan 4.740 nan 0.000 0.206 282 N C -0.303 175.121 175.510 -0.144 0.000 1.151 282 N CA 0.589 53.642 53.050 0.004 0.000 0.878 282 N CB 1.402 39.928 38.487 0.065 0.000 1.014 282 N HN -0.257 8.132 8.380 0.015 0.000 0.512 283 Y N -1.618 118.576 120.300 -0.177 0.000 2.673 283 Y HA -0.021 nan 4.550 nan 0.000 0.278 283 Y C 0.022 175.722 175.900 -0.333 0.000 1.127 283 Y CA 2.187 60.143 58.100 -0.240 0.000 1.261 283 Y CB 1.107 39.374 38.460 -0.321 0.000 1.412 283 Y HN -0.624 7.675 8.280 0.030 0.000 0.496 284 L N -2.009 119.017 121.223 -0.328 0.000 2.102 284 L HA -0.039 nan 4.340 nan 0.000 0.202 284 L C 1.242 178.043 176.870 -0.116 0.000 1.076 284 L CA 2.206 56.890 54.840 -0.260 0.000 0.761 284 L CB 1.029 42.927 42.059 -0.268 0.000 0.921 284 L HN -0.300 7.678 8.230 -0.420 0.000 0.444 285 L N -0.112 121.078 121.223 -0.055 0.000 2.533 285 L HA -0.029 nan 4.340 nan 0.000 0.239 285 L C -1.258 175.623 176.870 0.018 0.000 1.376 285 L CA -0.094 54.766 54.840 0.032 0.000 1.240 285 L CB -1.550 40.622 42.059 0.188 0.000 1.487 285 L HN -0.263 7.917 8.230 -0.083 0.000 0.419 286 T N -4.539 109.974 114.554 -0.068 0.000 2.883 286 T HA 0.307 nan 4.350 nan 0.000 0.296 286 T C 0.400 174.993 174.700 -0.178 0.000 1.117 286 T CA -2.090 59.955 62.100 -0.092 0.000 1.006 286 T CB 3.402 72.204 68.868 -0.111 0.000 1.191 286 T HN -0.099 7.981 8.240 -0.103 0.098 0.508 287 D N 1.971 122.273 120.400 -0.164 0.000 2.123 287 D HA -0.380 nan 4.640 nan 0.000 0.196 287 D C 1.948 178.010 176.300 -0.396 0.000 0.992 287 D CA 4.041 57.865 54.000 -0.293 0.000 0.833 287 D CB -0.393 40.370 40.800 -0.061 0.000 0.954 287 D HN 0.595 8.908 8.370 -0.095 0.000 0.455 288 E N -0.776 119.294 120.200 -0.216 0.000 2.072 288 E HA -0.216 nan 4.350 nan 0.000 0.191 288 E C 2.320 178.812 176.600 -0.179 0.000 0.985 288 E CA 2.518 58.818 56.400 -0.167 0.000 0.801 288 E CB -0.682 28.955 29.700 -0.105 0.000 0.750 288 E HN 0.246 8.503 8.360 -0.160 0.007 0.452 289 G N -0.379 108.313 108.800 -0.180 0.000 2.414 289 G HA2 -0.226 nan 3.960 nan 0.000 0.215 289 G HA3 -0.226 nan 3.960 nan 0.000 0.215 289 G C 1.193 175.986 174.900 -0.178 0.000 1.188 289 G CA 1.783 46.795 45.100 -0.148 0.000 0.783 289 G HN -0.173 7.933 8.290 -0.181 0.075 0.537 290 L N 0.165 121.224 121.223 -0.273 0.000 2.191 290 L HA -0.422 nan 4.340 nan 0.000 0.212 290 L C 1.851 178.511 176.870 -0.350 0.000 1.103 290 L CA 2.643 57.308 54.840 -0.293 0.000 0.769 290 L CB -0.457 41.394 42.059 -0.346 0.000 0.908 290 L HN 0.201 8.255 8.230 -0.293 0.000 0.438 291 E N -0.045 119.854 120.200 -0.501 0.000 2.072 291 E HA -0.360 nan 4.350 nan 0.000 0.191 291 E C 1.946 178.510 176.600 -0.060 0.000 0.985 291 E CA 3.201 59.464 56.400 -0.228 0.000 0.801 291 E CB -0.078 29.514 29.700 -0.180 0.000 0.750 291 E HN -0.104 7.806 8.360 -0.557 0.115 0.452 292 A N -1.090 121.685 122.820 -0.076 0.000 1.972 292 A HA -0.193 nan 4.320 nan 0.000 0.219 292 A C 2.396 179.966 177.584 -0.022 0.000 1.169 292 A CA 3.027 55.047 52.037 -0.029 0.000 0.635 292 A CB -0.493 18.497 19.000 -0.015 0.000 0.810 292 A HN -0.430 7.649 8.150 -0.117 0.000 0.446 293 V N -1.435 118.459 119.914 -0.032 0.000 2.346 293 V HA -0.374 nan 4.120 nan 0.000 0.244 293 V C 1.713 177.799 176.094 -0.015 0.000 1.037 293 V CA 4.263 66.543 62.300 -0.032 0.000 1.029 293 V CB -0.522 31.277 31.823 -0.040 0.000 0.663 293 V HN -0.529 7.614 8.190 -0.052 0.016 0.454 294 N N -0.347 118.370 118.700 0.028 0.000 2.149 294 N HA -0.258 nan 4.740 nan 0.000 0.188 294 N C 1.899 177.441 175.510 0.053 0.000 1.019 294 N CA 2.869 55.964 53.050 0.075 0.000 0.857 294 N CB 0.101 38.705 38.487 0.194 0.000 0.997 294 N HN -0.303 8.091 8.380 0.024 0.000 0.426 295 K N -2.927 117.498 120.400 0.042 0.000 2.288 295 K HA -0.180 nan 4.320 nan 0.000 0.201 295 K C 0.532 177.128 176.600 -0.007 0.000 1.048 295 K CA 1.900 58.203 56.287 0.026 0.000 0.956 295 K CB 0.267 32.782 32.500 0.025 0.000 0.746 295 K HN -0.276 7.983 8.250 0.039 0.015 0.461 296 D N -1.630 118.751 120.400 -0.033 0.000 2.149 296 D HA -0.017 nan 4.640 nan 0.000 0.206 296 D C -0.437 175.812 176.300 -0.085 0.000 0.967 296 D CA 1.454 55.407 54.000 -0.079 0.000 0.848 296 D CB 1.283 42.009 40.800 -0.124 0.000 0.998 296 D HN -0.662 7.536 8.370 -0.026 0.157 0.474 297 K N -1.873 118.488 120.400 -0.065 0.000 2.588 297 K HA 0.399 nan 4.320 nan 0.000 0.250 297 K C -2.699 173.891 176.600 -0.017 0.000 0.972 297 K CA -3.035 53.221 56.287 -0.052 0.000 0.821 297 K CB 3.187 35.635 32.500 -0.087 0.000 1.249 297 K HN -0.228 7.990 8.250 -0.054 0.000 0.442 298 P HA -0.024 nan 4.420 nan 0.000 0.265 298 P C -0.782 176.527 177.300 0.015 0.000 1.193 298 P CA 0.035 63.159 63.100 0.041 0.000 0.765 298 P CB 0.467 32.211 31.700 0.074 0.000 0.823 299 L N 1.996 123.243 121.223 0.040 0.000 2.446 299 L HA -0.010 nan 4.340 nan 0.000 0.219 299 L C 0.480 177.353 176.870 0.006 0.000 1.116 299 L CA 0.461 55.314 54.840 0.021 0.000 0.844 299 L CB 0.780 42.876 42.059 0.063 0.000 0.970 299 L HN 0.485 9.152 8.230 0.075 -0.392 0.457 300 G N -2.026 106.793 108.800 0.031 0.000 2.488 300 G HA2 -0.349 nan 3.960 nan 0.000 0.237 300 G HA3 -0.349 nan 3.960 nan 0.000 0.237 300 G C -1.328 173.615 174.900 0.071 0.000 1.209 300 G CA -0.554 44.567 45.100 0.035 0.000 0.929 300 G HN -0.740 7.540 8.290 0.060 0.046 0.578 301 A N 1.852 124.712 122.820 0.066 0.000 2.371 301 A HA 0.344 nan 4.320 nan 0.000 0.257 301 A C -0.543 177.080 177.584 0.065 0.000 1.089 301 A CA -0.330 51.745 52.037 0.065 0.000 0.794 301 A CB 1.267 20.303 19.000 0.059 0.000 1.029 301 A HN 0.196 8.378 8.150 0.053 0.000 0.488 302 V N -4.636 115.333 119.914 0.092 0.000 3.019 302 V HA 0.658 nan 4.120 nan 0.000 0.317 302 V C -0.542 175.626 176.094 0.124 0.000 1.094 302 V CA -2.730 59.636 62.300 0.110 0.000 1.000 302 V CB 2.574 34.508 31.823 0.185 0.000 1.060 302 V HN 0.088 8.645 8.190 0.095 -0.310 0.443 303 A N 0.362 123.215 122.820 0.055 0.000 2.072 303 A HA 0.094 nan 4.320 nan 0.000 0.216 303 A C -0.799 176.795 177.584 0.017 0.000 1.156 303 A CA 1.901 53.944 52.037 0.011 0.000 0.701 303 A CB 0.708 19.595 19.000 -0.188 0.000 0.816 303 A HN 0.585 8.753 8.150 0.031 0.000 0.458 304 L N -1.826 119.404 121.223 0.011 0.000 2.456 304 L HA -0.089 nan 4.340 nan 0.000 0.277 304 L C 0.085 176.932 176.870 -0.037 0.000 1.124 304 L CA -0.496 54.314 54.840 -0.050 0.000 0.880 304 L CB 0.262 42.327 42.059 0.010 0.000 1.192 304 L HN -0.420 7.814 8.230 0.054 0.029 0.463 305 K N 7.533 127.776 120.400 -0.261 0.000 2.059 305 K HA -0.535 nan 4.320 nan 0.000 0.212 305 K C 1.873 178.436 176.600 -0.062 0.000 1.050 305 K CA 4.391 60.482 56.287 -0.327 0.000 0.927 305 K CB -0.339 31.872 32.500 -0.481 0.000 0.714 305 K HN 0.108 8.147 8.250 -0.351 0.000 0.447 306 S N -0.957 114.722 115.700 -0.033 0.000 2.348 306 S HA -0.335 nan 4.470 nan 0.000 0.221 306 S C 1.986 176.655 174.600 0.115 0.000 1.033 306 S CA 3.085 61.303 58.200 0.030 0.000 1.010 306 S CB -0.162 63.051 63.200 0.023 0.000 0.891 306 S HN 0.144 8.398 8.310 -0.071 0.013 0.442 307 Y N 2.670 122.966 120.300 -0.007 0.000 2.314 307 Y HA -0.181 nan 4.550 nan 0.000 0.293 307 Y C 1.434 177.360 175.900 0.043 0.000 1.129 307 Y CA 1.219 59.328 58.100 0.014 0.000 1.201 307 Y CB -0.008 38.458 38.460 0.010 0.000 0.999 307 Y HN -0.745 7.660 8.280 0.207 0.000 0.541 308 E N -0.004 120.241 120.200 0.074 0.000 2.077 308 E HA -0.441 nan 4.350 nan 0.000 0.193 308 E C 2.213 178.816 176.600 0.005 0.000 0.989 308 E CA 3.084 59.511 56.400 0.046 0.000 0.800 308 E CB -0.683 29.168 29.700 0.253 0.000 0.746 308 E HN -0.038 8.413 8.360 0.151 0.000 0.452 309 E N -1.654 118.570 120.200 0.041 0.000 2.204 309 E HA -0.273 nan 4.350 nan 0.000 0.195 309 E C 1.950 178.533 176.600 -0.029 0.000 0.990 309 E CA 2.337 58.752 56.400 0.025 0.000 0.821 309 E CB -0.218 29.505 29.700 0.039 0.000 0.750 309 E HN -0.409 7.991 8.360 0.066 0.000 0.477 310 E N -1.910 118.240 120.200 -0.082 0.000 2.122 310 E HA -0.126 nan 4.350 nan 0.000 0.190 310 E C 2.407 178.895 176.600 -0.187 0.000 0.977 310 E CA 1.402 57.731 56.400 -0.119 0.000 0.820 310 E CB 0.212 29.846 29.700 -0.111 0.000 0.770 310 E HN -0.560 7.609 8.360 -0.086 0.139 0.462 311 L N 0.026 121.074 121.223 -0.292 0.000 2.156 311 L HA -0.188 nan 4.340 nan 0.000 0.208 311 L C 1.833 178.642 176.870 -0.103 0.000 1.095 311 L CA 2.513 57.208 54.840 -0.240 0.000 0.770 311 L CB -0.205 41.687 42.059 -0.279 0.000 0.914 311 L HN 0.079 8.012 8.230 -0.343 0.091 0.439 312 A N -2.425 120.353 122.820 -0.069 0.000 2.264 312 A HA -0.153 nan 4.320 nan 0.000 0.207 312 A C 0.428 177.990 177.584 -0.037 0.000 1.196 312 A CA 1.799 53.817 52.037 -0.031 0.000 0.778 312 A CB -1.250 17.746 19.000 -0.007 0.000 0.779 312 A HN 0.201 8.282 8.150 -0.077 0.023 0.483 313 K N -1.523 118.847 120.400 -0.050 0.000 2.288 313 K HA -0.184 nan 4.320 nan 0.000 0.201 313 K C 0.264 176.829 176.600 -0.057 0.000 1.048 313 K CA 1.011 57.270 56.287 -0.047 0.000 0.956 313 K CB 0.325 32.797 32.500 -0.046 0.000 0.746 313 K HN -0.598 7.528 8.250 -0.063 0.085 0.461 314 D N 0.852 121.215 120.400 -0.062 0.000 2.339 314 D HA 0.272 nan 4.640 nan 0.000 0.241 314 D C -0.774 175.475 176.300 -0.085 0.000 1.183 314 D CA -3.097 50.853 54.000 -0.083 0.000 0.859 314 D CB 0.732 41.488 40.800 -0.073 0.000 1.067 314 D HN -0.476 7.732 8.370 -0.059 0.127 0.484 315 P HA -0.149 nan 4.420 nan 0.000 0.220 315 P C 1.470 178.710 177.300 -0.100 0.000 1.148 315 P CA 1.626 64.673 63.100 -0.089 0.000 0.803 315 P CB 0.382 32.025 31.700 -0.096 0.000 0.782 316 R N -1.809 118.571 120.500 -0.200 0.000 2.081 316 R HA -0.244 nan 4.340 nan 0.000 0.235 316 R C 2.613 178.929 176.300 0.027 0.000 1.131 316 R CA 3.437 59.372 56.100 -0.275 0.000 0.960 316 R CB -0.367 29.401 30.300 -0.886 0.000 0.856 316 R HN -0.066 8.289 8.270 -0.247 -0.234 0.436 317 I N -0.726 119.889 120.570 0.074 0.000 2.500 317 I HA -0.340 nan 4.170 nan 0.000 0.252 317 I C 1.233 177.405 176.117 0.091 0.000 1.142 317 I CA 3.005 64.415 61.300 0.184 0.000 1.451 317 I CB -0.141 37.941 38.000 0.136 0.000 1.093 317 I HN -0.621 7.575 8.210 -0.025 0.000 0.430 318 A N -0.640 122.199 122.820 0.032 0.000 1.933 318 A HA -0.320 nan 4.320 nan 0.000 0.218 318 A C 1.770 179.362 177.584 0.013 0.000 1.175 318 A CA 3.217 55.260 52.037 0.011 0.000 0.628 318 A CB -1.058 17.937 19.000 -0.008 0.000 0.814 318 A HN -0.184 7.971 8.150 0.009 0.000 0.444 319 A N -2.662 120.176 122.820 0.030 0.000 1.898 319 A HA -0.281 nan 4.320 nan 0.000 0.216 319 A C 1.948 179.564 177.584 0.054 0.000 1.181 319 A CA 3.208 55.265 52.037 0.034 0.000 0.620 319 A CB -0.800 18.229 19.000 0.049 0.000 0.819 319 A HN -0.200 7.968 8.150 0.029 0.000 0.442 320 T N 2.555 117.178 114.554 0.115 0.000 2.665 320 T HA -0.397 nan 4.350 nan 0.000 0.268 320 T C 1.928 176.654 174.700 0.042 0.000 1.035 320 T CA 4.685 66.855 62.100 0.116 0.000 1.151 320 T CB -0.387 68.591 68.868 0.182 0.000 0.862 320 T HN -0.480 7.853 8.240 0.155 0.000 0.438 321 M N 1.036 120.647 119.600 0.019 0.000 2.175 321 M HA -0.259 nan 4.480 nan 0.000 0.264 321 M C 1.172 177.412 176.300 -0.100 0.000 1.063 321 M CA 2.243 57.517 55.300 -0.043 0.000 1.119 321 M CB -0.283 32.273 32.600 -0.074 0.000 1.377 321 M HN -0.201 8.113 8.290 0.040 0.000 0.415 322 E N -0.105 120.052 120.200 -0.071 0.000 2.077 322 E HA -0.430 nan 4.350 nan 0.000 0.193 322 E C 2.438 178.977 176.600 -0.101 0.000 0.989 322 E CA 3.405 59.751 56.400 -0.090 0.000 0.800 322 E CB -0.244 29.422 29.700 -0.056 0.000 0.746 322 E HN -0.150 8.111 8.360 -0.037 0.077 0.452 323 N N -0.812 117.849 118.700 -0.065 0.000 2.120 323 N HA -0.284 nan 4.740 nan 0.000 0.188 323 N C 2.210 177.665 175.510 -0.092 0.000 1.024 323 N CA 2.799 55.812 53.050 -0.062 0.000 0.852 323 N CB -0.227 38.246 38.487 -0.023 0.000 1.003 323 N HN -0.042 8.315 8.380 -0.037 0.000 0.424 324 A N -0.746 122.016 122.820 -0.097 0.000 1.933 324 A HA -0.245 nan 4.320 nan 0.000 0.218 324 A C 2.801 180.152 177.584 -0.388 0.000 1.175 324 A CA 2.768 54.726 52.037 -0.132 0.000 0.628 324 A CB -0.705 18.283 19.000 -0.020 0.000 0.814 324 A HN 0.015 8.054 8.150 -0.067 0.070 0.444 325 Q N -3.743 115.762 119.800 -0.492 0.000 2.369 325 Q HA -0.231 nan 4.340 nan 0.000 0.206 325 Q C 1.139 176.920 176.000 -0.365 0.000 0.963 325 Q CA 2.037 57.444 55.803 -0.659 0.000 0.894 325 Q CB 0.042 28.480 28.738 -0.499 0.000 0.965 325 Q HN -0.321 7.741 8.270 -0.347 0.000 0.475 326 K N -2.795 117.469 120.400 -0.227 0.000 2.367 326 K HA 0.103 nan 4.320 nan 0.000 0.194 326 K C -0.051 176.489 176.600 -0.100 0.000 1.027 326 K CA -0.389 55.816 56.287 -0.137 0.000 1.075 326 K CB 0.706 33.148 32.500 -0.097 0.000 0.845 326 K HN -0.687 7.288 8.250 -0.212 0.147 0.529 327 G N -1.507 107.229 108.800 -0.106 0.000 2.510 327 G HA2 0.217 nan 3.960 nan 0.000 0.280 327 G HA3 0.217 nan 3.960 nan 0.000 0.280 327 G C -1.613 173.297 174.900 0.017 0.000 1.386 327 G CA -1.521 43.557 45.100 -0.037 0.000 1.047 327 G HN -0.695 7.313 8.290 -0.162 0.184 0.527 328 E N -0.499 119.763 120.200 0.103 0.000 2.145 328 E HA 0.244 nan 4.350 nan 0.000 0.262 328 E C -0.087 176.699 176.600 0.311 0.000 0.883 328 E CA -2.260 54.260 56.400 0.200 0.000 0.748 328 E CB 2.338 32.191 29.700 0.256 0.000 1.140 328 E HN 0.391 8.701 8.360 0.101 0.111 0.417 329 I N 7.377 128.083 120.570 0.226 0.000 2.821 329 I HA -0.304 nan 4.170 nan 0.000 0.294 329 I C -0.341 175.969 176.117 0.320 0.000 1.210 329 I CA 0.713 62.151 61.300 0.230 0.000 1.430 329 I CB 0.225 38.287 38.000 0.103 0.000 1.356 329 I HN 0.701 9.005 8.210 0.156 0.000 0.563 330 M N 8.636 128.454 119.600 0.364 0.000 2.307 330 M HA 0.043 nan 4.480 nan 0.000 0.346 330 M C -1.816 174.538 176.300 0.090 0.000 1.552 330 M CA -1.052 54.318 55.300 0.115 0.000 1.116 330 M CB 0.445 33.093 32.600 0.080 0.000 1.889 330 M HN -0.091 8.444 8.290 0.408 0.000 0.460 331 P HA -0.103 nan 4.420 nan 0.000 0.262 331 P C -1.396 175.798 177.300 -0.177 0.000 1.182 331 P CA 0.559 63.425 63.100 -0.390 0.000 0.761 331 P CB 0.012 31.230 31.700 -0.803 0.000 0.795 332 N N -0.050 118.684 118.700 0.056 0.000 2.268 332 N HA -0.071 nan 4.740 nan 0.000 0.204 332 N C -0.568 175.006 175.510 0.106 0.000 1.124 332 N CA -0.465 52.632 53.050 0.078 0.000 0.838 332 N CB -0.485 38.137 38.487 0.226 0.000 0.994 332 N HN 0.197 8.753 8.380 0.294 0.000 0.489 333 I N -6.439 114.130 120.570 -0.002 0.000 2.662 333 I HA 0.443 nan 4.170 nan 0.000 0.291 333 I C 0.123 176.204 176.117 -0.061 0.000 1.046 333 I CA -2.751 58.544 61.300 -0.007 0.000 1.361 333 I CB 0.308 38.197 38.000 -0.184 0.000 1.429 333 I HN -0.802 7.230 8.210 -0.154 0.086 0.558 334 P HA -0.231 nan 4.420 nan 0.000 0.219 334 P C 1.071 178.363 177.300 -0.013 0.000 1.146 334 P CA 2.509 65.611 63.100 0.004 0.000 0.808 334 P CB -0.207 31.509 31.700 0.027 0.000 0.779 335 Q N -3.003 116.740 119.800 -0.095 0.000 2.508 335 Q HA -0.142 nan 4.340 nan 0.000 0.214 335 Q C 2.291 178.354 176.000 0.105 0.000 0.979 335 Q CA 2.461 58.232 55.803 -0.052 0.000 0.911 335 Q CB -1.354 27.228 28.738 -0.260 0.000 0.969 335 Q HN 0.491 8.629 8.270 -0.164 0.033 0.504 336 M N -0.621 118.996 119.600 0.028 0.000 2.296 336 M HA -0.215 nan 4.480 nan 0.000 0.265 336 M C 1.480 177.831 176.300 0.084 0.000 1.064 336 M CA 1.360 56.663 55.300 0.005 0.000 1.109 336 M CB -0.784 31.721 32.600 -0.158 0.000 1.396 336 M HN -0.309 7.880 8.290 -0.059 0.066 0.430 337 S N -0.194 115.619 115.700 0.188 0.000 2.399 337 S HA -0.281 nan 4.470 nan 0.000 0.231 337 S C 1.643 176.405 174.600 0.270 0.000 1.022 337 S CA 3.815 62.184 58.200 0.282 0.000 0.983 337 S CB -0.568 62.741 63.200 0.182 0.000 0.803 337 S HN -0.352 8.017 8.310 0.133 0.021 0.480 338 A N 1.842 124.788 122.820 0.210 0.000 1.898 338 A HA -0.181 nan 4.320 nan 0.000 0.216 338 A C 1.706 179.417 177.584 0.211 0.000 1.181 338 A CA 2.543 54.706 52.037 0.211 0.000 0.620 338 A CB -0.967 18.142 19.000 0.182 0.000 0.819 338 A HN -0.707 7.538 8.150 0.182 0.014 0.442 339 F N -0.175 119.773 119.950 -0.003 0.000 2.069 339 F HA -0.427 nan 4.527 nan 0.000 0.298 339 F C 0.948 176.673 175.800 -0.124 0.000 1.113 339 F CA 3.793 61.675 58.000 -0.196 0.000 1.214 339 F CB 0.050 38.757 39.000 -0.487 0.000 0.978 339 F HN -0.825 7.566 8.300 0.286 0.081 0.474 340 W N -3.217 118.218 121.300 0.225 0.000 2.338 340 W HA -0.543 nan 4.660 nan 0.000 0.304 340 W C 2.122 178.654 176.519 0.023 0.000 1.212 340 W CA 3.176 60.594 57.345 0.121 0.000 1.264 340 W CB -0.093 29.464 29.460 0.162 0.000 1.142 340 W HN 0.099 8.377 8.180 0.163 0.000 0.512 341 Y N -0.461 119.967 120.300 0.214 0.000 2.163 341 Y HA -0.589 nan 4.550 nan 0.000 0.288 341 Y C 1.397 177.312 175.900 0.026 0.000 1.136 341 Y CA 3.758 61.925 58.100 0.112 0.000 1.147 341 Y CB 0.028 38.546 38.460 0.097 0.000 0.987 341 Y HN -0.535 8.020 8.280 0.459 0.000 0.509 342 A N -1.219 121.572 122.820 -0.048 0.000 1.898 342 A HA -0.318 nan 4.320 nan 0.000 0.216 342 A C 2.114 179.552 177.584 -0.244 0.000 1.181 342 A CA 3.115 55.057 52.037 -0.159 0.000 0.620 342 A CB -0.591 18.372 19.000 -0.062 0.000 0.819 342 A HN -0.008 8.211 8.150 0.116 0.000 0.442 343 V N -0.282 119.431 119.914 -0.334 0.000 2.427 343 V HA -0.443 nan 4.120 nan 0.000 0.248 343 V C 1.827 177.852 176.094 -0.114 0.000 1.051 343 V CA 4.255 66.372 62.300 -0.305 0.000 1.048 343 V CB -1.166 30.284 31.823 -0.622 0.000 0.666 343 V HN 0.278 8.218 8.190 -0.417 0.000 0.456 344 R N -1.209 119.247 120.500 -0.073 0.000 2.081 344 R HA -0.404 nan 4.340 nan 0.000 0.235 344 R C 1.952 178.196 176.300 -0.095 0.000 1.131 344 R CA 3.965 60.051 56.100 -0.024 0.000 0.960 344 R CB -0.192 30.104 30.300 -0.006 0.000 0.856 344 R HN -0.110 8.113 8.270 -0.079 0.000 0.436 345 T N 1.213 115.645 114.554 -0.203 0.000 2.737 345 T HA -0.231 nan 4.350 nan 0.000 0.265 345 T C 1.674 176.303 174.700 -0.117 0.000 1.038 345 T CA 4.580 66.563 62.100 -0.194 0.000 1.144 345 T CB -0.525 68.161 68.868 -0.304 0.000 0.866 345 T HN -0.619 7.449 8.240 -0.286 0.000 0.434 346 A N 1.113 123.865 122.820 -0.113 0.000 1.883 346 A HA -0.252 nan 4.320 nan 0.000 0.217 346 A C 1.845 179.401 177.584 -0.048 0.000 1.186 346 A CA 3.386 55.378 52.037 -0.074 0.000 0.624 346 A CB -0.855 18.099 19.000 -0.076 0.000 0.822 346 A HN -0.134 7.929 8.150 -0.145 0.000 0.444 347 V N -0.854 119.041 119.914 -0.032 0.000 2.358 347 V HA -0.428 nan 4.120 nan 0.000 0.246 347 V C 1.964 178.043 176.094 -0.024 0.000 1.047 347 V CA 4.545 66.838 62.300 -0.012 0.000 1.035 347 V CB -0.670 31.172 31.823 0.032 0.000 0.658 347 V HN -0.253 7.916 8.190 -0.035 0.000 0.452 348 I N -0.509 120.043 120.570 -0.030 0.000 2.315 348 I HA -0.588 nan 4.170 nan 0.000 0.248 348 I C 1.783 177.878 176.117 -0.037 0.000 1.117 348 I CA 4.118 65.398 61.300 -0.034 0.000 1.404 348 I CB -0.340 37.638 38.000 -0.036 0.000 1.071 348 I HN -0.213 7.976 8.210 -0.034 0.000 0.419 349 N N -0.357 118.318 118.700 -0.041 0.000 2.331 349 N HA -0.228 nan 4.740 nan 0.000 0.180 349 N C 1.596 177.086 175.510 -0.033 0.000 1.019 349 N CA 2.878 55.906 53.050 -0.036 0.000 0.881 349 N CB -0.686 37.778 38.487 -0.038 0.000 0.972 349 N HN 0.074 8.425 8.380 -0.048 0.000 0.435 350 A N -0.892 121.907 122.820 -0.035 0.000 1.935 350 A HA 0.025 nan 4.320 nan 0.000 0.214 350 A C 2.307 179.868 177.584 -0.039 0.000 1.178 350 A CA 2.463 54.479 52.037 -0.035 0.000 0.640 350 A CB -0.759 18.220 19.000 -0.035 0.000 0.825 350 A HN -0.273 7.738 8.150 -0.037 0.117 0.447 351 A N -1.556 121.239 122.820 -0.041 0.000 2.015 351 A HA -0.189 nan 4.320 nan 0.000 0.219 351 A C 1.177 178.735 177.584 -0.044 0.000 1.163 351 A CA 2.786 54.794 52.037 -0.047 0.000 0.646 351 A CB -0.263 18.706 19.000 -0.052 0.000 0.806 351 A HN 0.144 8.271 8.150 -0.039 0.000 0.448 352 S N -5.714 109.964 115.700 -0.038 0.000 2.556 352 S HA -0.059 nan 4.470 nan 0.000 0.216 352 S C 1.210 175.792 174.600 -0.030 0.000 0.970 352 S CA -0.333 57.846 58.200 -0.034 0.000 0.912 352 S CB 0.271 63.453 63.200 -0.030 0.000 0.790 352 S HN -0.720 7.541 8.310 -0.037 0.026 0.504 353 G N 1.640 110.421 108.800 -0.031 0.000 2.196 353 G HA2 -0.424 nan 3.960 nan 0.000 0.268 353 G HA3 -0.424 nan 3.960 nan 0.000 0.268 353 G C 0.522 175.408 174.900 -0.023 0.000 0.975 353 G CA 1.331 46.415 45.100 -0.027 0.000 0.648 353 G HN -0.300 7.766 8.290 -0.034 0.203 0.538 354 R N -0.642 119.845 120.500 -0.023 0.000 2.303 354 R HA -0.241 nan 4.340 nan 0.000 0.225 354 R C -0.058 176.231 176.300 -0.018 0.000 1.114 354 R CA 1.520 57.609 56.100 -0.019 0.000 1.007 354 R CB 0.496 30.785 30.300 -0.019 0.000 0.861 354 R HN -0.515 7.638 8.270 -0.025 0.102 0.471 355 Q N -4.091 115.697 119.800 -0.020 0.000 2.479 355 Q HA 0.093 nan 4.340 nan 0.000 0.276 355 Q C -2.079 173.909 176.000 -0.020 0.000 0.989 355 Q CA -0.847 54.944 55.803 -0.018 0.000 0.864 355 Q CB 3.758 32.484 28.738 -0.020 0.000 1.444 355 Q HN -0.665 7.516 8.270 -0.023 0.075 0.388 356 T N -2.225 112.319 114.554 -0.016 0.000 2.748 356 T HA 0.106 nan 4.350 nan 0.000 0.304 356 T C 1.116 175.805 174.700 -0.019 0.000 1.041 356 T CA -0.737 61.353 62.100 -0.016 0.000 1.033 356 T CB 1.475 70.336 68.868 -0.012 0.000 0.995 356 T HN -0.169 8.063 8.240 -0.014 0.000 0.536 357 V N 1.886 121.789 119.914 -0.019 0.000 2.307 357 V HA -0.377 nan 4.120 nan 0.000 0.245 357 V C 1.644 177.727 176.094 -0.018 0.000 1.045 357 V CA 4.360 66.647 62.300 -0.021 0.000 1.024 357 V CB -0.309 31.502 31.823 -0.021 0.000 0.651 357 V HN 0.361 8.541 8.190 -0.017 0.000 0.449 358 D N -1.831 118.561 120.400 -0.012 0.000 2.144 358 D HA -0.253 nan 4.640 nan 0.000 0.199 358 D C 2.678 178.972 176.300 -0.010 0.000 0.984 358 D CA 3.733 57.728 54.000 -0.010 0.000 0.834 358 D CB -0.424 40.373 40.800 -0.005 0.000 0.955 358 D HN 0.370 8.734 8.370 -0.010 0.000 0.465 359 E N -0.713 119.481 120.200 -0.011 0.000 2.051 359 E HA -0.187 nan 4.350 nan 0.000 0.189 359 E C 2.142 178.733 176.600 -0.015 0.000 0.979 359 E CA 2.230 58.624 56.400 -0.010 0.000 0.803 359 E CB -0.322 29.372 29.700 -0.009 0.000 0.761 359 E HN -0.499 7.842 8.360 -0.011 0.013 0.451 360 A N 0.088 122.896 122.820 -0.020 0.000 1.908 360 A HA -0.235 nan 4.320 nan 0.000 0.218 360 A C 2.522 180.087 177.584 -0.032 0.000 1.181 360 A CA 3.150 55.170 52.037 -0.028 0.000 0.627 360 A CB -0.652 18.329 19.000 -0.032 0.000 0.818 360 A HN 0.191 8.222 8.150 -0.019 0.108 0.445 361 L N -3.605 117.601 121.223 -0.028 0.000 2.179 361 L HA -0.333 nan 4.340 nan 0.000 0.208 361 L C 2.013 178.868 176.870 -0.026 0.000 1.096 361 L CA 2.389 57.211 54.840 -0.030 0.000 0.779 361 L CB -0.394 41.650 42.059 -0.026 0.000 0.922 361 L HN -0.020 8.195 8.230 -0.024 0.000 0.443 362 K N 0.392 120.781 120.400 -0.017 0.000 2.097 362 K HA -0.417 nan 4.320 nan 0.000 0.206 362 K C 2.004 178.600 176.600 -0.007 0.000 1.049 362 K CA 3.731 60.012 56.287 -0.010 0.000 0.933 362 K CB -0.339 32.158 32.500 -0.005 0.000 0.717 362 K HN -0.503 7.657 8.250 -0.016 0.080 0.442 363 D N -1.213 119.182 120.400 -0.010 0.000 2.144 363 D HA -0.183 nan 4.640 nan 0.000 0.200 363 D C 2.255 178.551 176.300 -0.008 0.000 0.978 363 D CA 3.104 57.101 54.000 -0.004 0.000 0.833 363 D CB -0.570 40.227 40.800 -0.005 0.000 0.961 363 D HN -0.283 8.071 8.370 -0.014 0.008 0.470 364 A N -0.556 122.245 122.820 -0.031 0.000 1.898 364 A HA -0.221 nan 4.320 nan 0.000 0.216 364 A C 1.971 179.530 177.584 -0.041 0.000 1.181 364 A CA 3.024 55.029 52.037 -0.053 0.000 0.620 364 A CB -0.598 18.340 19.000 -0.104 0.000 0.819 364 A HN -0.563 7.479 8.150 -0.035 0.086 0.442 365 Q N -1.605 118.175 119.800 -0.034 0.000 2.061 365 Q HA -0.337 nan 4.340 nan 0.000 0.204 365 Q C 2.557 178.564 176.000 0.011 0.000 0.984 365 Q CA 3.243 59.034 55.803 -0.020 0.000 0.846 365 Q CB -0.208 28.519 28.738 -0.018 0.000 0.902 365 Q HN 0.005 8.254 8.270 -0.034 0.000 0.421 366 T N 2.700 117.263 114.554 0.016 0.000 2.746 366 T HA -0.339 nan 4.350 nan 0.000 0.267 366 T C 1.877 176.603 174.700 0.044 0.000 1.039 366 T CA 4.441 66.559 62.100 0.030 0.000 1.142 366 T CB -0.597 68.286 68.868 0.026 0.000 0.866 366 T HN -0.406 7.838 8.240 0.007 0.000 0.444 367 R N 0.865 121.391 120.500 0.044 0.000 2.120 367 R HA -0.234 nan 4.340 nan 0.000 0.234 367 R C 1.859 178.209 176.300 0.083 0.000 1.123 367 R CA 2.739 58.880 56.100 0.068 0.000 0.975 367 R CB -0.192 30.159 30.300 0.085 0.000 0.866 367 R HN -0.325 7.888 8.270 0.030 0.076 0.446 368 I N -3.928 116.685 120.570 0.072 0.000 2.585 368 I HA -0.186 nan 4.170 nan 0.000 0.254 368 I C 0.794 177.001 176.117 0.149 0.000 1.129 368 I CA 2.367 63.734 61.300 0.113 0.000 1.455 368 I CB 0.818 38.860 38.000 0.070 0.000 1.111 368 I HN -0.507 7.591 8.210 0.044 0.138 0.433 369 T N -5.362 109.261 114.554 0.114 0.000 3.100 369 T HA 0.045 nan 4.350 nan 0.000 0.253 369 T C 0.635 175.391 174.700 0.095 0.000 1.118 369 T CA 0.286 62.461 62.100 0.125 0.000 1.058 369 T CB -0.039 68.892 68.868 0.104 0.000 0.953 369 T HN -0.261 8.028 8.240 0.082 0.000 0.515 370 K N 0.000 120.447 120.400 0.078 0.000 2.780 370 K HA 0.000 nan 4.320 nan 0.000 0.191 370 K CA 0.000 56.324 56.287 0.061 0.000 0.838 370 K CB 0.000 32.531 32.500 0.052 0.000 1.064 370 K HN 0.000 8.252 8.250 0.079 0.045 0.543