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 2ogw_1_A DATA FIRST_RESID 27 DATA SEQUENCE AVVASLKPVG FIASAIADGV TETEVLLPDG ASEHDYSLRP SDVKRLQNAD DATA SEQUENCE LVVWVGPEXE AFXQKPVSKL PGAKQVTIAQ LEDVKPLLXK XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXDFNXHLWL SPEIARATAV AIHGKLVELX PQSRAKLDAN DATA SEQUENCE LKDFEAQLAS TETQVGNELA PLKGKGYFVF HDAYGYFEKQ FGLTPLGHFT DATA SEQUENCE VNPEIQPGAQ RLHEIRTQLV EQKATcVFAE PQFRPAVVES VARGTSVRXG DATA SEQUENCE TLDPLGTNIK LGKTSYSEFL SQLANQYASc LK 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.568 177.584 -0.027 0.000 1.274 27 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 27 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 28 V N 1.209 121.106 119.914 -0.027 0.000 2.461 28 V HA 0.440 4.560 4.120 -0.000 0.000 0.275 28 V C 0.022 176.094 176.094 -0.037 0.000 1.047 28 V CA -0.392 61.889 62.300 -0.032 0.000 0.955 28 V CB 1.233 33.036 31.823 -0.033 0.000 0.988 28 V HN 0.682 nan 8.190 nan 0.000 0.471 29 V N 4.929 124.818 119.914 -0.042 0.000 2.347 29 V HA 0.698 4.817 4.120 -0.000 0.000 0.280 29 V C 0.485 176.546 176.094 -0.054 0.000 1.021 29 V CA -0.373 61.897 62.300 -0.050 0.000 0.847 29 V CB 1.350 33.142 31.823 -0.052 0.000 0.990 29 V HN 0.991 nan 8.190 nan 0.000 0.444 30 A N 3.580 126.359 122.820 -0.069 0.000 2.312 30 A HA 0.636 4.956 4.320 -0.000 0.000 0.326 30 A C 1.215 178.743 177.584 -0.093 0.000 1.172 30 A CA 0.147 52.135 52.037 -0.081 0.000 0.821 30 A CB 1.304 20.230 19.000 -0.123 0.000 1.166 30 A HN 0.995 nan 8.150 nan 0.000 0.493 31 S N 2.136 117.798 115.700 -0.065 0.000 2.356 31 S HA 0.032 4.502 4.470 -0.000 0.000 0.223 31 S C 0.530 175.039 174.600 -0.152 0.000 1.032 31 S CA 0.937 59.109 58.200 -0.047 0.000 1.005 31 S CB -0.652 62.563 63.200 0.026 0.000 0.867 31 S HN 0.578 nan 8.310 nan 0.000 0.449 32 L N 0.144 121.196 121.223 -0.285 0.000 2.371 32 L HA 0.506 4.846 4.340 -0.000 0.000 0.262 32 L C 1.094 177.623 176.870 -0.569 0.000 1.006 32 L CA -0.913 53.652 54.840 -0.458 0.000 0.818 32 L CB 1.745 43.383 42.059 -0.702 0.000 1.354 32 L HN -0.102 nan 8.230 nan 0.000 0.415 33 K N 1.279 121.295 120.400 -0.640 0.000 2.032 33 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 33 K C -0.922 174.881 176.600 -1.329 0.000 1.048 33 K CA 1.832 57.623 56.287 -0.827 0.000 0.927 33 K CB -0.500 31.566 32.500 -0.722 0.000 0.712 33 K HN 0.439 nan 8.250 nan 0.000 0.441 34 P HA -0.114 nan 4.420 nan 0.000 0.218 34 P C 1.238 178.292 177.300 -0.410 0.000 1.149 34 P CA 0.864 63.337 63.100 -1.045 0.000 0.817 34 P CB 0.137 31.339 31.700 -0.830 0.000 0.785 35 V N 0.021 119.670 119.914 -0.441 0.000 2.407 35 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 35 V C 2.590 178.570 176.094 -0.189 0.000 1.055 35 V CA 2.490 64.661 62.300 -0.216 0.000 1.049 35 V CB -1.918 29.786 31.823 -0.198 0.000 0.662 35 V HN 0.178 nan 8.190 nan 0.000 0.455 36 G N -0.373 108.253 108.800 -0.291 0.000 2.418 36 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 36 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 36 G C 1.383 176.283 174.900 -0.000 0.000 1.158 36 G CA 0.835 45.826 45.100 -0.181 0.000 0.771 36 G HN 0.407 nan 8.290 nan 0.000 0.545 37 F N 1.226 121.158 119.950 -0.031 0.000 2.069 37 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 37 F C 2.715 178.555 175.800 0.067 0.000 1.113 37 F CA 0.290 58.339 58.000 0.081 0.000 1.214 37 F CB -1.096 38.040 39.000 0.228 0.000 0.978 37 F HN 0.095 nan 8.300 nan 0.000 0.474 38 I N 0.095 120.754 120.570 0.149 0.000 2.127 38 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 38 I C 2.669 178.654 176.117 -0.220 0.000 1.075 38 I CA 1.445 62.627 61.300 -0.197 0.000 1.334 38 I CB -1.037 36.752 38.000 -0.353 0.000 1.040 38 I HN 0.085 nan 8.210 nan 0.000 0.405 39 A N 0.916 123.664 122.820 -0.119 0.000 1.908 39 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 39 A C 2.495 180.048 177.584 -0.052 0.000 1.181 39 A CA 2.471 54.451 52.037 -0.095 0.000 0.627 39 A CB -0.945 18.016 19.000 -0.065 0.000 0.818 39 A HN 0.560 nan 8.150 nan 0.000 0.445 40 S N -0.273 115.434 115.700 0.012 0.000 2.453 40 S HA 0.186 4.656 4.470 -0.000 0.000 0.231 40 S C 1.963 176.594 174.600 0.052 0.000 1.005 40 S CA 1.112 59.341 58.200 0.048 0.000 0.949 40 S CB -0.450 62.811 63.200 0.103 0.000 0.774 40 S HN 0.852 nan 8.310 nan 0.000 0.510 41 A N 2.319 125.163 122.820 0.039 0.000 1.898 41 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 41 A C 2.177 179.768 177.584 0.012 0.000 1.181 41 A CA 1.453 53.530 52.037 0.066 0.000 0.620 41 A CB -0.564 18.500 19.000 0.108 0.000 0.819 41 A HN 0.543 nan 8.150 nan 0.000 0.442 42 I N -0.488 120.035 120.570 -0.078 0.000 2.406 42 I HA -0.057 4.113 4.170 -0.000 0.000 0.249 42 I C 2.592 178.707 176.117 -0.004 0.000 1.122 42 I CA 1.342 62.615 61.300 -0.044 0.000 1.431 42 I CB -1.530 36.413 38.000 -0.095 0.000 1.087 42 I HN 0.323 nan 8.210 nan 0.000 0.424 43 A N 0.051 122.863 122.820 -0.013 0.000 2.251 43 A HA -0.066 4.254 4.320 -0.000 0.000 0.209 43 A C 0.725 178.316 177.584 0.010 0.000 1.187 43 A CA -0.091 51.943 52.037 -0.005 0.000 0.823 43 A CB -0.779 18.213 19.000 -0.014 0.000 0.846 43 A HN 0.345 nan 8.150 nan 0.000 0.486 44 D N -0.191 120.223 120.400 0.024 0.000 2.520 44 D HA 0.316 4.955 4.640 -0.000 0.000 0.243 44 D C 1.404 177.721 176.300 0.028 0.000 1.160 44 D CA 1.726 55.745 54.000 0.033 0.000 0.877 44 D CB 0.019 40.848 40.800 0.049 0.000 1.150 44 D HN 0.496 nan 8.370 nan 0.000 0.494 45 G N 1.990 110.803 108.800 0.022 0.000 2.155 45 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 45 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 45 G C 0.870 175.777 174.900 0.012 0.000 0.983 45 G CA 0.465 45.575 45.100 0.018 0.000 0.676 45 G HN 0.479 nan 8.290 nan 0.000 0.528 46 V N -1.343 118.575 119.914 0.008 0.000 2.840 46 V HA 0.521 4.641 4.120 -0.000 0.000 0.234 46 V C 1.218 177.309 176.094 -0.005 0.000 1.159 46 V CA 1.970 64.269 62.300 -0.001 0.000 1.194 46 V CB 0.986 32.806 31.823 -0.006 0.000 0.971 46 V HN 0.653 nan 8.190 nan 0.000 0.494 47 T N -1.144 113.407 114.554 -0.006 0.000 2.792 47 T HA 0.461 4.811 4.350 -0.000 0.000 0.303 47 T C -1.524 173.174 174.700 -0.004 0.000 1.310 47 T CA -0.527 61.569 62.100 -0.008 0.000 1.007 47 T CB 1.885 70.744 68.868 -0.015 0.000 1.335 47 T HN 0.220 nan 8.240 nan 0.000 0.504 48 E N 0.975 121.172 120.200 -0.006 0.000 2.392 48 E HA 0.503 4.853 4.350 -0.000 0.000 0.256 48 E C -0.439 176.157 176.600 -0.007 0.000 1.145 48 E CA 0.075 56.474 56.400 -0.003 0.000 0.929 48 E CB 0.667 30.364 29.700 -0.005 0.000 0.998 48 E HN 0.494 nan 8.360 nan 0.000 0.442 49 T N 1.875 116.427 114.554 -0.003 0.000 2.824 49 T HA 0.432 4.782 4.350 -0.000 0.000 0.282 49 T C -0.583 174.107 174.700 -0.017 0.000 0.993 49 T CA -0.798 61.296 62.100 -0.011 0.000 0.967 49 T CB 0.880 69.748 68.868 -0.001 0.000 0.960 49 T HN 0.280 nan 8.240 nan 0.000 0.441 50 E N 1.232 121.413 120.200 -0.032 0.000 2.244 50 E HA 0.691 5.041 4.350 -0.000 0.000 0.266 50 E C -1.128 175.432 176.600 -0.066 0.000 0.914 50 E CA -0.982 55.394 56.400 -0.041 0.000 0.794 50 E CB 2.316 31.995 29.700 -0.036 0.000 1.210 50 E HN 0.223 nan 8.360 nan 0.000 0.414 51 V N 3.325 123.190 119.914 -0.082 0.000 2.487 51 V HA 0.161 4.281 4.120 -0.000 0.000 0.298 51 V C 0.785 176.811 176.094 -0.114 0.000 1.028 51 V CA -0.368 61.856 62.300 -0.126 0.000 0.860 51 V CB 1.472 33.188 31.823 -0.177 0.000 0.991 51 V HN 0.709 nan 8.190 nan 0.000 0.427 52 L N 3.572 124.730 121.223 -0.109 0.000 2.023 52 L HA 0.082 4.422 4.340 -0.000 0.000 0.205 52 L C 1.078 177.838 176.870 -0.184 0.000 1.073 52 L CA 0.993 55.786 54.840 -0.079 0.000 0.745 52 L CB -0.024 42.041 42.059 0.010 0.000 0.900 52 L HN 0.449 nan 8.230 nan 0.000 0.435 53 L N 2.585 123.624 121.223 -0.306 0.000 2.500 53 L HA 0.178 4.517 4.340 -0.000 0.000 0.272 53 L C -2.062 174.571 176.870 -0.396 0.000 1.149 53 L CA -1.449 53.046 54.840 -0.576 0.000 0.897 53 L CB 0.025 41.786 42.059 -0.496 0.000 1.178 53 L HN -0.154 nan 8.230 nan 0.000 0.473 54 P HA 0.104 nan 4.420 nan 0.000 0.272 54 P C -1.068 176.122 177.300 -0.184 0.000 1.230 54 P CA -0.388 62.594 63.100 -0.197 0.000 0.788 54 P CB 0.409 32.042 31.700 -0.112 0.000 0.949 55 D N 0.318 120.643 120.400 -0.125 0.000 2.455 55 D HA 0.260 4.900 4.640 -0.000 0.000 0.241 55 D C 1.646 177.894 176.300 -0.086 0.000 1.138 55 D CA 1.671 55.613 54.000 -0.096 0.000 0.877 55 D CB 0.030 40.797 40.800 -0.055 0.000 1.187 55 D HN 0.697 nan 8.370 nan 0.000 0.451 56 G N 0.792 109.541 108.800 -0.086 0.000 2.268 56 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.240 56 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.240 56 G C 0.518 175.336 174.900 -0.136 0.000 1.010 56 G CA 0.358 45.400 45.100 -0.097 0.000 0.618 56 G HN 0.872 nan 8.290 nan 0.000 0.516 57 A N -0.208 122.528 122.820 -0.139 0.000 2.271 57 A HA 0.837 5.157 4.320 -0.000 0.000 0.288 57 A C 0.533 178.033 177.584 -0.141 0.000 1.094 57 A CA 0.940 52.891 52.037 -0.144 0.000 0.828 57 A CB 1.236 20.123 19.000 -0.190 0.000 1.091 57 A HN 1.659 nan 8.150 nan 0.000 0.493 58 S N -0.962 114.696 115.700 -0.069 0.000 2.502 58 S HA 0.416 4.886 4.470 -0.000 0.000 0.304 58 S C 0.568 175.220 174.600 0.086 0.000 1.097 58 S CA -0.346 57.893 58.200 0.065 0.000 1.045 58 S CB 0.993 64.336 63.200 0.238 0.000 1.019 58 S HN 0.635 nan 8.310 nan 0.000 0.481 59 E N 2.585 122.814 120.200 0.048 0.000 2.396 59 E HA -0.137 4.213 4.350 -0.000 0.000 0.200 59 E C 0.784 177.430 176.600 0.077 0.000 1.023 59 E CA 1.442 57.892 56.400 0.082 0.000 0.857 59 E CB -0.302 29.372 29.700 -0.043 0.000 0.775 59 E HN 0.694 nan 8.360 nan 0.000 0.525 60 H N -0.379 118.863 119.070 0.286 0.000 2.539 60 H HA 0.182 4.738 4.556 -0.000 0.000 0.267 60 H C -0.046 175.421 175.328 0.231 0.000 0.982 60 H CA 0.766 56.963 56.048 0.247 0.000 1.146 60 H CB 0.464 30.333 29.762 0.178 0.000 1.382 60 H HN 0.152 nan 8.280 nan 0.000 0.577 61 D N -0.143 120.437 120.400 0.300 0.000 2.934 61 D HA 0.084 4.724 4.640 -0.000 0.000 0.249 61 D C -1.662 174.727 176.300 0.148 0.000 1.293 61 D CA -0.293 53.837 54.000 0.216 0.000 0.812 61 D CB -0.195 40.751 40.800 0.242 0.000 1.439 61 D HN 0.018 nan 8.370 nan 0.000 0.555 62 Y N 0.216 120.427 120.300 -0.148 0.000 2.513 62 Y HA 0.640 5.190 4.550 -0.000 0.000 0.340 62 Y C -1.363 174.231 175.900 -0.511 0.000 1.055 62 Y CA -0.651 57.187 58.100 -0.436 0.000 1.020 62 Y CB 2.131 40.135 38.460 -0.759 0.000 1.301 62 Y HN 0.014 nan 8.280 nan 0.000 0.453 63 S N 5.062 120.121 115.700 -1.069 0.000 2.521 63 S HA 0.558 5.028 4.470 -0.000 0.000 0.295 63 S C -1.097 172.930 174.600 -0.956 0.000 1.098 63 S CA -0.838 56.928 58.200 -0.724 0.000 0.999 63 S CB 1.241 64.210 63.200 -0.385 0.000 1.034 63 S HN 0.619 nan 8.310 nan 0.000 0.483 64 L N 3.210 124.164 121.223 -0.448 0.000 2.540 64 L HA 0.164 4.504 4.340 -0.000 0.000 0.276 64 L C 0.905 177.649 176.870 -0.210 0.000 1.212 64 L CA 0.140 54.850 54.840 -0.216 0.000 0.893 64 L CB 0.105 42.171 42.059 0.012 0.000 1.138 64 L HN 0.512 nan 8.230 nan 0.000 0.491 65 R N 3.949 124.366 120.500 -0.138 0.000 2.582 65 R HA 0.126 4.465 4.340 -0.000 0.000 0.271 65 R C -1.444 174.826 176.300 -0.052 0.000 1.078 65 R CA -1.465 54.581 56.100 -0.091 0.000 1.127 65 R CB 0.103 30.380 30.300 -0.038 0.000 1.038 65 R HN 0.377 nan 8.270 nan 0.000 0.500 66 P HA -0.276 nan 4.420 nan 0.000 0.216 66 P C 1.186 178.473 177.300 -0.022 0.000 1.154 66 P CA 1.761 64.842 63.100 -0.033 0.000 0.865 66 P CB 0.096 31.777 31.700 -0.031 0.000 0.789 67 S N -1.589 114.101 115.700 -0.018 0.000 2.447 67 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 67 S C 1.641 176.238 174.600 -0.005 0.000 1.006 67 S CA 1.248 59.441 58.200 -0.012 0.000 0.957 67 S CB -1.125 62.069 63.200 -0.010 0.000 0.773 67 S HN 0.049 nan 8.310 nan 0.000 0.507 68 D N 1.811 122.214 120.400 0.006 0.000 2.117 68 D HA -0.033 4.607 4.640 -0.000 0.000 0.197 68 D C 2.095 178.398 176.300 0.006 0.000 0.987 68 D CA 1.156 55.170 54.000 0.024 0.000 0.829 68 D CB -0.557 40.286 40.800 0.071 0.000 0.961 68 D HN 0.372 nan 8.370 nan 0.000 0.460 69 V N 0.759 120.669 119.914 -0.006 0.000 2.515 69 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 69 V C 2.311 178.389 176.094 -0.027 0.000 1.058 69 V CA 1.271 63.560 62.300 -0.019 0.000 1.064 69 V CB -0.361 31.448 31.823 -0.023 0.000 0.675 69 V HN 0.052 nan 8.190 nan 0.000 0.461 70 K N 0.903 121.290 120.400 -0.022 0.000 2.025 70 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 70 K C 2.260 178.844 176.600 -0.027 0.000 1.049 70 K CA 1.452 57.724 56.287 -0.024 0.000 0.933 70 K CB -0.349 32.139 32.500 -0.020 0.000 0.714 70 K HN 0.304 nan 8.250 nan 0.000 0.438 71 R N 0.021 120.507 120.500 -0.025 0.000 2.117 71 R HA -0.098 4.242 4.340 -0.000 0.000 0.243 71 R C 2.312 178.589 176.300 -0.039 0.000 1.143 71 R CA 1.652 57.735 56.100 -0.028 0.000 0.968 71 R CB -0.432 29.853 30.300 -0.025 0.000 0.863 71 R HN 0.189 nan 8.270 nan 0.000 0.444 72 L N 0.430 121.626 121.223 -0.046 0.000 2.027 72 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 72 L C 2.461 179.291 176.870 -0.066 0.000 1.074 72 L CA 1.449 56.248 54.840 -0.069 0.000 0.745 72 L CB -0.437 41.569 42.059 -0.088 0.000 0.898 72 L HN 0.260 nan 8.230 nan 0.000 0.433 73 Q N -0.040 119.727 119.800 -0.055 0.000 2.124 73 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 73 Q C 1.490 177.466 176.000 -0.040 0.000 0.977 73 Q CA 1.721 57.495 55.803 -0.048 0.000 0.850 73 Q CB -0.339 28.375 28.738 -0.040 0.000 0.901 73 Q HN 0.620 nan 8.270 nan 0.000 0.429 74 N N 0.324 119.002 118.700 -0.036 0.000 2.412 74 N HA 0.168 4.907 4.740 -0.000 0.000 0.184 74 N C -0.127 175.364 175.510 -0.032 0.000 1.101 74 N CA -0.207 52.824 53.050 -0.031 0.000 0.881 74 N CB 0.295 38.767 38.487 -0.026 0.000 0.969 74 N HN 0.130 nan 8.380 nan 0.000 0.459 75 A N 0.957 123.754 122.820 -0.039 0.000 2.531 75 A HA -0.033 4.286 4.320 -0.000 0.000 0.236 75 A C 0.736 178.299 177.584 -0.035 0.000 1.062 75 A CA 0.032 52.046 52.037 -0.039 0.000 0.760 75 A CB 0.319 19.290 19.000 -0.048 0.000 0.995 75 A HN 0.149 nan 8.150 nan 0.000 0.501 76 D N -0.376 120.006 120.400 -0.031 0.000 2.144 76 D HA 0.024 4.664 4.640 -0.000 0.000 0.200 76 D C 0.036 176.318 176.300 -0.030 0.000 0.978 76 D CA 1.468 55.450 54.000 -0.029 0.000 0.833 76 D CB 0.036 40.820 40.800 -0.027 0.000 0.961 76 D HN 0.323 nan 8.370 nan 0.000 0.470 77 L N 0.233 121.437 121.223 -0.031 0.000 2.526 77 L HA 0.278 4.618 4.340 -0.000 0.000 0.263 77 L C -1.413 175.438 176.870 -0.031 0.000 0.943 77 L CA -0.709 54.114 54.840 -0.028 0.000 0.859 77 L CB 2.333 44.377 42.059 -0.025 0.000 1.313 77 L HN -0.358 nan 8.230 nan 0.000 0.406 78 V N 4.911 124.806 119.914 -0.031 0.000 2.472 78 V HA 0.696 4.816 4.120 -0.000 0.000 0.290 78 V C -0.537 175.577 176.094 0.033 0.000 1.037 78 V CA -0.649 61.627 62.300 -0.040 0.000 0.908 78 V CB 1.790 33.542 31.823 -0.118 0.000 0.985 78 V HN 0.514 nan 8.190 nan 0.000 0.454 79 V N 4.962 124.908 119.914 0.053 0.000 2.487 79 V HA 0.675 4.795 4.120 -0.000 0.000 0.298 79 V C -0.767 175.460 176.094 0.223 0.000 1.028 79 V CA -0.423 61.953 62.300 0.127 0.000 0.860 79 V CB 1.671 33.510 31.823 0.026 0.000 0.991 79 V HN 0.998 nan 8.190 nan 0.000 0.427 80 W N 3.578 124.825 121.300 -0.088 0.000 3.025 80 W HA 0.663 5.322 4.660 -0.000 0.000 0.343 80 W C -0.160 176.318 176.519 -0.069 0.000 1.246 80 W CA -1.000 56.284 57.345 -0.102 0.000 1.178 80 W CB 0.527 29.912 29.460 -0.125 0.000 1.463 80 W HN 0.225 nan 8.180 nan 0.000 0.578 81 V N 2.122 121.929 119.914 -0.179 0.000 2.244 81 V HA 0.336 4.455 4.120 -0.000 0.000 0.244 81 V C 1.216 176.851 176.094 -0.764 0.000 1.042 81 V CA 2.796 64.906 62.300 -0.316 0.000 1.006 81 V CB -1.210 30.573 31.823 -0.068 0.000 0.641 81 V HN 1.197 nan 8.190 nan 0.000 0.446 82 G N -1.284 106.834 108.800 -1.137 0.000 2.369 82 G HA2 0.113 4.073 3.960 -0.000 0.000 0.293 82 G HA3 0.113 4.073 3.960 -0.000 0.000 0.293 82 G C -2.646 171.718 174.900 -0.893 0.000 1.301 82 G CA 0.075 44.171 45.100 -1.674 0.000 0.913 82 G HN -0.004 nan 8.290 nan 0.000 0.540 83 P HA 0.010 nan 4.420 nan 0.000 0.226 83 P C 0.567 177.857 177.300 -0.017 0.000 1.153 83 P CA 1.003 64.105 63.100 0.003 0.000 0.777 83 P CB 0.306 32.061 31.700 0.091 0.000 0.794 87 A N 1.038 123.775 122.820 -0.137 0.000 1.978 87 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 87 A C 0.992 178.578 177.584 0.003 0.000 1.170 87 A CA 1.057 53.103 52.037 0.014 0.000 0.636 87 A CB -0.872 18.181 19.000 0.087 0.000 0.810 87 A HN 0.500 nan 8.150 nan 0.000 0.448 91 K N 1.158 121.515 120.400 -0.071 0.000 1.991 91 K HA -0.070 4.249 4.320 -0.000 0.000 0.212 91 K C -1.044 175.499 176.600 -0.094 0.000 1.049 91 K CA 1.867 58.121 56.287 -0.055 0.000 0.932 91 K CB -0.367 32.119 32.500 -0.023 0.000 0.717 91 K HN 0.239 nan 8.250 nan 0.000 0.441 92 P HA -0.094 nan 4.420 nan 0.000 0.219 92 P C 1.479 178.670 177.300 -0.181 0.000 1.150 92 P CA 0.989 64.013 63.100 -0.127 0.000 0.814 92 P CB 0.016 31.646 31.700 -0.117 0.000 0.787 93 V N 0.530 120.261 119.914 -0.306 0.000 2.427 93 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 93 V C 2.532 178.517 176.094 -0.182 0.000 1.051 93 V CA 2.205 64.279 62.300 -0.376 0.000 1.048 93 V CB -1.582 29.727 31.823 -0.858 0.000 0.666 93 V HN 0.156 nan 8.190 nan 0.000 0.456 94 S N -0.426 115.205 115.700 -0.116 0.000 2.440 94 S HA -0.213 4.257 4.470 -0.000 0.000 0.238 94 S C 1.863 176.444 174.600 -0.032 0.000 1.010 94 S CA 1.346 59.529 58.200 -0.030 0.000 0.972 94 S CB -0.255 62.941 63.200 -0.006 0.000 0.774 94 S HN 0.622 nan 8.310 nan 0.000 0.501 95 K N 0.324 120.691 120.400 -0.055 0.000 2.314 95 K HA 0.195 4.515 4.320 -0.000 0.000 0.198 95 K C 0.336 176.911 176.600 -0.041 0.000 1.045 95 K CA 0.199 56.461 56.287 -0.042 0.000 0.988 95 K CB 0.019 32.491 32.500 -0.047 0.000 0.783 95 K HN 0.292 nan 8.250 nan 0.000 0.484 96 L N 2.211 123.401 121.223 -0.054 0.000 2.453 96 L HA 0.181 4.521 4.340 -0.000 0.000 0.261 96 L C -2.069 174.786 176.870 -0.025 0.000 1.179 96 L CA -2.232 52.580 54.840 -0.047 0.000 0.813 96 L CB -0.114 41.904 42.059 -0.067 0.000 1.110 96 L HN -0.115 nan 8.230 nan 0.000 0.466 97 P HA 0.035 nan 4.420 nan 0.000 0.269 97 P C 0.617 177.916 177.300 -0.001 0.000 1.215 97 P CA -0.160 62.934 63.100 -0.010 0.000 0.780 97 P CB 0.638 32.331 31.700 -0.012 0.000 0.898 98 G N 1.695 110.499 108.800 0.007 0.000 2.442 98 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.219 98 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.219 98 G C 1.418 176.325 174.900 0.013 0.000 1.141 98 G CA 0.780 45.891 45.100 0.018 0.000 0.763 98 G HN 0.590 nan 8.290 nan 0.000 0.554 99 A N 0.044 122.866 122.820 0.003 0.000 2.178 99 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 99 A C 1.995 179.576 177.584 -0.006 0.000 1.157 99 A CA 1.309 53.344 52.037 -0.003 0.000 0.689 99 A CB -0.127 18.869 19.000 -0.008 0.000 0.787 99 A HN 0.394 nan 8.150 nan 0.000 0.465 100 K N -0.604 119.793 120.400 -0.006 0.000 2.455 100 K HA 0.144 4.464 4.320 -0.000 0.000 0.206 100 K C -0.491 176.105 176.600 -0.007 0.000 1.027 100 K CA -0.019 56.260 56.287 -0.013 0.000 1.113 100 K CB 0.386 32.872 32.500 -0.023 0.000 0.850 100 K HN 0.766 nan 8.250 nan 0.000 0.503 101 Q N -1.324 118.486 119.800 0.018 0.000 2.416 101 Q HA 0.485 4.825 4.340 -0.000 0.000 0.281 101 Q C -1.082 174.968 176.000 0.083 0.000 1.067 101 Q CA -0.972 54.864 55.803 0.055 0.000 0.809 101 Q CB 1.935 30.715 28.738 0.071 0.000 1.418 101 Q HN -0.173 nan 8.270 nan 0.000 0.411 102 V N 1.708 121.694 119.914 0.119 0.000 2.378 102 V HA 0.525 4.645 4.120 -0.000 0.000 0.288 102 V C -0.769 175.410 176.094 0.142 0.000 1.016 102 V CA -0.492 61.861 62.300 0.090 0.000 0.840 102 V CB 1.831 33.675 31.823 0.035 0.000 0.994 102 V HN 0.944 nan 8.190 nan 0.000 0.431 103 T N 6.634 121.213 114.554 0.042 0.000 3.029 103 T HA 0.402 4.752 4.350 -0.000 0.000 0.346 103 T C 1.487 176.040 174.700 -0.246 0.000 1.211 103 T CA -0.176 61.799 62.100 -0.209 0.000 1.009 103 T CB 0.427 69.221 68.868 -0.123 0.000 1.084 103 T HN 0.418 nan 8.240 nan 0.000 0.536 104 I N 1.802 122.216 120.570 -0.259 0.000 2.118 104 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 104 I C 2.747 178.747 176.117 -0.195 0.000 1.070 104 I CA 1.450 62.644 61.300 -0.177 0.000 1.327 104 I CB -0.356 37.562 38.000 -0.137 0.000 1.034 104 I HN 0.610 nan 8.210 nan 0.000 0.405 105 A N -0.251 122.415 122.820 -0.258 0.000 2.125 105 A HA -0.189 4.130 4.320 -0.000 0.000 0.219 105 A C 2.089 179.553 177.584 -0.200 0.000 1.156 105 A CA 1.334 53.235 52.037 -0.227 0.000 0.671 105 A CB -0.428 18.427 19.000 -0.242 0.000 0.794 105 A HN 0.572 nan 8.150 nan 0.000 0.459 106 Q N -0.730 118.957 119.800 -0.189 0.000 2.282 106 Q HA 0.324 4.664 4.340 -0.000 0.000 0.206 106 Q C -0.378 175.562 176.000 -0.099 0.000 0.878 106 Q CA -0.368 55.355 55.803 -0.134 0.000 0.944 106 Q CB 0.262 28.931 28.738 -0.116 0.000 1.100 106 Q HN 0.562 nan 8.270 nan 0.000 0.509 107 L N 1.887 123.048 121.223 -0.102 0.000 2.490 107 L HA -0.037 4.303 4.340 -0.000 0.000 0.274 107 L C 1.438 178.266 176.870 -0.071 0.000 1.201 107 L CA -0.281 54.515 54.840 -0.074 0.000 0.869 107 L CB 0.511 42.527 42.059 -0.071 0.000 1.123 107 L HN 0.147 nan 8.230 nan 0.000 0.484 108 E N 1.384 121.553 120.200 -0.051 0.000 2.153 108 E HA -0.187 4.162 4.350 -0.000 0.000 0.194 108 E C 1.232 177.802 176.600 -0.049 0.000 0.988 108 E CA 1.176 57.548 56.400 -0.047 0.000 0.811 108 E CB 0.052 29.733 29.700 -0.032 0.000 0.746 108 E HN 0.614 nan 8.360 nan 0.000 0.466 109 D N -0.157 120.217 120.400 -0.044 0.000 2.269 109 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 109 D C 1.870 178.136 176.300 -0.056 0.000 0.963 109 D CA 0.368 54.344 54.000 -0.041 0.000 0.864 109 D CB 0.259 41.041 40.800 -0.029 0.000 0.936 109 D HN 0.040 nan 8.370 nan 0.000 0.505 110 V N 1.033 120.901 119.914 -0.077 0.000 2.685 110 V HA -0.099 4.021 4.120 -0.000 0.000 0.244 110 V C 2.157 178.174 176.094 -0.128 0.000 1.054 110 V CA 0.592 62.831 62.300 -0.102 0.000 1.076 110 V CB -0.029 31.721 31.823 -0.122 0.000 0.725 110 V HN 0.001 nan 8.190 nan 0.000 0.467 111 K N 0.764 121.081 120.400 -0.138 0.000 2.071 111 K HA -0.217 4.103 4.320 -0.000 0.000 0.217 111 K C 0.066 176.561 176.600 -0.174 0.000 1.054 111 K CA 2.137 58.315 56.287 -0.182 0.000 0.937 111 K CB -2.405 30.012 32.500 -0.138 0.000 0.719 111 K HN 0.423 nan 8.250 nan 0.000 0.454 112 P HA -0.033 nan 4.420 nan 0.000 0.225 112 P C 1.196 178.471 177.300 -0.042 0.000 1.148 112 P CA 0.918 63.980 63.100 -0.064 0.000 0.779 112 P CB 0.012 31.689 31.700 -0.039 0.000 0.780 113 L N -2.433 118.763 121.223 -0.045 0.000 2.529 113 L HA 0.112 4.452 4.340 -0.000 0.000 0.223 113 L C 1.251 178.172 176.870 0.085 0.000 1.113 113 L CA -0.177 54.670 54.840 0.013 0.000 0.861 113 L CB -0.435 41.618 42.059 -0.010 0.000 1.012 113 L HN -0.047 nan 8.230 nan 0.000 0.461 140 F N 2.032 121.996 119.950 0.023 0.000 2.425 140 F HA 0.403 4.930 4.527 -0.000 0.000 0.331 140 F C 1.076 176.913 175.800 0.061 0.000 1.085 140 F CA -0.839 57.183 58.000 0.037 0.000 1.028 140 F CB 0.947 39.976 39.000 0.047 0.000 1.177 140 F HN -0.255 nan 8.300 nan 0.000 0.487 144 L N -0.333 120.582 121.223 -0.514 0.000 2.313 144 L HA -0.049 4.291 4.340 -0.000 0.000 0.214 144 L C 1.836 178.574 176.870 -0.220 0.000 1.119 144 L CA 1.080 55.642 54.840 -0.463 0.000 0.809 144 L CB -0.287 41.618 42.059 -0.257 0.000 0.933 144 L HN 0.612 nan 8.230 nan 0.000 0.449 145 W N -0.885 120.457 121.300 0.070 0.000 2.699 145 W HA 0.060 4.720 4.660 -0.000 0.000 0.249 145 W C 1.395 178.193 176.519 0.465 0.000 1.280 145 W CA -0.021 57.451 57.345 0.212 0.000 1.345 145 W CB -0.726 28.850 29.460 0.195 0.000 1.128 145 W HN -0.073 nan 8.180 nan 0.000 0.642 146 L N 1.519 122.755 121.223 0.022 0.000 2.611 146 L HA 0.156 4.496 4.340 -0.000 0.000 0.229 146 L C 1.114 178.195 176.870 0.351 0.000 1.137 146 L CA 0.073 55.075 54.840 0.271 0.000 0.901 146 L CB -0.214 41.912 42.059 0.112 0.000 1.098 146 L HN -0.020 nan 8.230 nan 0.000 0.456 147 S N -0.044 115.762 115.700 0.178 0.000 2.423 147 S HA 0.289 4.759 4.470 -0.000 0.000 0.317 147 S C -1.591 173.139 174.600 0.216 0.000 1.065 147 S CA -1.549 56.729 58.200 0.130 0.000 1.111 147 S CB 1.132 64.222 63.200 -0.184 0.000 0.968 147 S HN -0.098 nan 8.310 nan 0.000 0.474 148 P HA -0.158 nan 4.420 nan 0.000 0.216 148 P C 1.328 178.731 177.300 0.171 0.000 1.154 148 P CA 1.168 64.446 63.100 0.297 0.000 0.865 148 P CB 0.195 32.014 31.700 0.200 0.000 0.789 149 E N -0.824 119.423 120.200 0.078 0.000 2.106 149 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 149 E C 2.125 178.741 176.600 0.026 0.000 0.984 149 E CA 0.979 57.404 56.400 0.041 0.000 0.806 149 E CB -0.714 28.991 29.700 0.009 0.000 0.750 149 E HN 0.342 nan 8.360 nan 0.000 0.458 150 I N 1.076 121.641 120.570 -0.008 0.000 2.315 150 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 150 I C 2.489 178.605 176.117 -0.001 0.000 1.117 150 I CA 0.925 62.195 61.300 -0.049 0.000 1.404 150 I CB -0.348 37.554 38.000 -0.163 0.000 1.071 150 I HN -0.016 nan 8.210 nan 0.000 0.419 151 A N 1.029 123.885 122.820 0.059 0.000 1.908 151 A HA -0.239 4.080 4.320 -0.000 0.000 0.218 151 A C 2.414 180.069 177.584 0.118 0.000 1.181 151 A CA 1.663 53.718 52.037 0.030 0.000 0.627 151 A CB -0.606 18.392 19.000 -0.003 0.000 0.818 151 A HN 0.323 nan 8.150 nan 0.000 0.445 152 R N -0.741 119.873 120.500 0.191 0.000 2.073 152 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 152 R C 2.525 178.876 176.300 0.086 0.000 1.134 152 R CA 1.289 57.516 56.100 0.212 0.000 0.952 152 R CB -0.508 29.877 30.300 0.142 0.000 0.850 152 R HN 0.527 nan 8.270 nan 0.000 0.433 153 A N 0.359 123.199 122.820 0.034 0.000 1.902 153 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 153 A C 2.182 179.753 177.584 -0.021 0.000 1.181 153 A CA 1.914 53.950 52.037 -0.002 0.000 0.623 153 A CB -0.739 18.247 19.000 -0.024 0.000 0.818 153 A HN 0.281 nan 8.150 nan 0.000 0.443 154 T N 0.231 114.762 114.554 -0.038 0.000 2.737 154 T HA 0.000 4.350 4.350 -0.000 0.000 0.265 154 T C 2.263 176.904 174.700 -0.099 0.000 1.038 154 T CA 1.553 63.611 62.100 -0.070 0.000 1.144 154 T CB -0.480 68.338 68.868 -0.085 0.000 0.866 154 T HN 0.601 nan 8.240 nan 0.000 0.434 155 A N 1.140 123.872 122.820 -0.147 0.000 1.883 155 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 155 A C 2.592 180.137 177.584 -0.064 0.000 1.186 155 A CA 1.665 53.568 52.037 -0.224 0.000 0.624 155 A CB -1.197 17.588 19.000 -0.358 0.000 0.822 155 A HN 0.341 nan 8.150 nan 0.000 0.444 156 V N -0.143 119.761 119.914 -0.017 0.000 2.252 156 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 156 V C 3.076 179.201 176.094 0.053 0.000 1.056 156 V CA 2.241 64.550 62.300 0.014 0.000 1.022 156 V CB -1.347 30.478 31.823 0.004 0.000 0.641 156 V HN 0.652 nan 8.190 nan 0.000 0.445 157 A N -0.296 122.534 122.820 0.015 0.000 1.877 157 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 157 A C 2.182 179.774 177.584 0.014 0.000 1.186 157 A CA 2.024 54.068 52.037 0.013 0.000 0.620 157 A CB -0.566 18.427 19.000 -0.010 0.000 0.822 157 A HN 0.513 nan 8.150 nan 0.000 0.443 158 I N -1.161 119.406 120.570 -0.005 0.000 2.163 158 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 158 I C 2.625 178.744 176.117 0.004 0.000 1.085 158 I CA 1.722 63.012 61.300 -0.017 0.000 1.347 158 I CB -0.623 37.343 38.000 -0.055 0.000 1.044 158 I HN 0.570 nan 8.210 nan 0.000 0.408 159 H N 1.384 120.421 119.070 -0.056 0.000 2.265 159 H HA -0.203 4.353 4.556 -0.000 0.000 0.293 159 H C 2.164 177.479 175.328 -0.022 0.000 1.089 159 H CA 2.346 58.373 56.048 -0.035 0.000 1.244 159 H CB -0.505 29.241 29.762 -0.026 0.000 1.355 159 H HN 0.348 nan 8.280 nan 0.000 0.485 160 G N 1.457 110.301 108.800 0.073 0.000 2.476 160 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 160 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 160 G C 1.905 176.769 174.900 -0.060 0.000 1.164 160 G CA 0.894 46.003 45.100 0.015 0.000 0.768 160 G HN 0.346 nan 8.290 nan 0.000 0.560 161 K N 0.139 120.516 120.400 -0.039 0.000 2.057 161 K HA 0.065 4.385 4.320 -0.000 0.000 0.207 161 K C 2.579 179.138 176.600 -0.067 0.000 1.049 161 K CA 0.659 56.921 56.287 -0.042 0.000 0.931 161 K CB -0.529 31.957 32.500 -0.024 0.000 0.714 161 K HN 0.341 nan 8.250 nan 0.000 0.440 162 L N 0.814 121.981 121.223 -0.093 0.000 2.141 162 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 162 L C 2.435 179.225 176.870 -0.134 0.000 1.094 162 L CA 0.506 55.285 54.840 -0.102 0.000 0.763 162 L CB -0.410 41.589 42.059 -0.099 0.000 0.908 162 L HN -0.097 nan 8.230 nan 0.000 0.437 163 V N -0.306 119.481 119.914 -0.212 0.000 2.407 163 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 163 V C 2.528 178.559 176.094 -0.104 0.000 1.055 163 V CA 1.566 63.748 62.300 -0.198 0.000 1.049 163 V CB -0.370 31.276 31.823 -0.295 0.000 0.662 163 V HN 0.433 nan 8.190 nan 0.000 0.455 164 E N -0.089 120.061 120.200 -0.083 0.000 2.072 164 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 164 E C 1.159 177.734 176.600 -0.043 0.000 0.985 164 E CA 0.503 56.873 56.400 -0.050 0.000 0.801 164 E CB -0.152 29.526 29.700 -0.037 0.000 0.750 164 E HN 0.470 nan 8.360 nan 0.000 0.452 168 Q N 1.372 121.160 119.800 -0.020 0.000 2.291 168 Q HA 0.031 4.371 4.340 -0.000 0.000 0.206 168 Q C 0.785 176.777 176.000 -0.012 0.000 0.976 168 Q CA 1.704 57.499 55.803 -0.013 0.000 0.875 168 Q CB -0.576 28.155 28.738 -0.011 0.000 0.927 168 Q HN 0.267 nan 8.270 nan 0.000 0.450 169 S N 0.561 116.249 115.700 -0.020 0.000 2.557 169 S HA 0.169 4.639 4.470 -0.000 0.000 0.223 169 S C 1.325 175.913 174.600 -0.019 0.000 0.969 169 S CA -0.207 57.982 58.200 -0.017 0.000 0.927 169 S CB 0.218 63.403 63.200 -0.024 0.000 0.806 169 S HN 0.400 nan 8.310 nan 0.000 0.489 170 R N 2.189 122.676 120.500 -0.023 0.000 2.096 170 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 170 R C 2.203 178.518 176.300 0.025 0.000 1.139 170 R CA 1.814 57.902 56.100 -0.019 0.000 0.952 170 R CB -0.502 29.792 30.300 -0.011 0.000 0.854 170 R HN 0.399 nan 8.270 nan 0.000 0.436 171 A N 0.964 123.801 122.820 0.027 0.000 1.902 171 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 171 A C 2.088 179.703 177.584 0.051 0.000 1.181 171 A CA 1.862 53.923 52.037 0.041 0.000 0.623 171 A CB -0.447 18.570 19.000 0.028 0.000 0.818 171 A HN 0.326 nan 8.150 nan 0.000 0.443 172 K N -0.050 120.373 120.400 0.039 0.000 2.103 172 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 172 K C 1.744 178.382 176.600 0.064 0.000 1.052 172 K CA 1.181 57.494 56.287 0.043 0.000 0.945 172 K CB -0.566 31.951 32.500 0.028 0.000 0.722 172 K HN 0.440 nan 8.250 nan 0.000 0.443 173 L N 0.655 121.915 121.223 0.062 0.000 2.017 173 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 173 L C 1.897 178.929 176.870 0.268 0.000 1.073 173 L CA 1.624 56.528 54.840 0.107 0.000 0.745 173 L CB -0.565 41.471 42.059 -0.038 0.000 0.894 173 L HN 0.234 nan 8.230 nan 0.000 0.432 174 D N 0.082 120.639 120.400 0.261 0.000 2.106 174 D HA -0.215 4.424 4.640 -0.000 0.000 0.191 174 D C 2.202 178.563 176.300 0.102 0.000 0.997 174 D CA 1.697 55.829 54.000 0.220 0.000 0.834 174 D CB -0.201 40.692 40.800 0.156 0.000 0.956 174 D HN 0.341 nan 8.370 nan 0.000 0.448 175 A N 0.905 123.779 122.820 0.090 0.000 1.908 175 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 175 A C 2.009 179.642 177.584 0.083 0.000 1.181 175 A CA 1.661 53.740 52.037 0.070 0.000 0.627 175 A CB -0.578 18.457 19.000 0.059 0.000 0.818 175 A HN 0.133 nan 8.150 nan 0.000 0.445 176 N N -0.244 118.514 118.700 0.098 0.000 2.104 176 N HA -0.147 4.592 4.740 -0.000 0.000 0.190 176 N C 1.580 177.173 175.510 0.138 0.000 1.024 176 N CA 1.550 54.666 53.050 0.111 0.000 0.853 176 N CB -0.591 37.953 38.487 0.096 0.000 1.008 176 N HN 0.449 nan 8.380 nan 0.000 0.424 177 L N 1.610 122.901 121.223 0.114 0.000 2.027 177 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 177 L C 1.922 178.865 176.870 0.122 0.000 1.074 177 L CA 1.749 56.642 54.840 0.089 0.000 0.745 177 L CB -0.572 41.425 42.059 -0.102 0.000 0.898 177 L HN -0.006 nan 8.230 nan 0.000 0.433 178 K N -0.274 120.164 120.400 0.063 0.000 2.034 178 K HA -0.245 4.075 4.320 -0.000 0.000 0.214 178 K C 1.832 178.480 176.600 0.079 0.000 1.051 178 K CA 2.153 58.474 56.287 0.056 0.000 0.931 178 K CB -0.419 32.105 32.500 0.040 0.000 0.715 178 K HN 0.443 nan 8.250 nan 0.000 0.446 179 D N 0.044 120.504 120.400 0.099 0.000 2.097 179 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 179 D C 1.665 178.042 176.300 0.128 0.000 0.989 179 D CA 0.859 54.919 54.000 0.100 0.000 0.827 179 D CB -0.444 40.418 40.800 0.105 0.000 0.966 179 D HN 0.114 nan 8.370 nan 0.000 0.456 180 F N 2.057 122.037 119.950 0.050 0.000 2.091 180 F HA -0.219 4.307 4.527 -0.000 0.000 0.299 180 F C 2.116 177.960 175.800 0.074 0.000 1.103 180 F CA 1.656 59.699 58.000 0.070 0.000 1.228 180 F CB -0.083 38.953 39.000 0.060 0.000 0.984 180 F HN -0.062 nan 8.300 nan 0.000 0.477 181 E N 0.192 120.391 120.200 -0.002 0.000 2.072 181 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 181 E C 2.426 178.968 176.600 -0.096 0.000 0.985 181 E CA 0.931 57.278 56.400 -0.087 0.000 0.801 181 E CB -0.521 29.202 29.700 0.039 0.000 0.750 181 E HN 0.514 nan 8.360 nan 0.000 0.452 182 A N 1.697 124.493 122.820 -0.041 0.000 1.865 182 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 182 A C 2.188 179.742 177.584 -0.051 0.000 1.191 182 A CA 2.018 54.037 52.037 -0.030 0.000 0.623 182 A CB -0.709 18.290 19.000 -0.002 0.000 0.826 182 A HN 0.252 nan 8.150 nan 0.000 0.444 183 Q N -1.072 118.690 119.800 -0.064 0.000 2.084 183 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 183 Q C 1.952 177.891 176.000 -0.101 0.000 0.978 183 Q CA 1.744 57.511 55.803 -0.060 0.000 0.844 183 Q CB -0.276 28.447 28.738 -0.025 0.000 0.898 183 Q HN 0.494 nan 8.270 nan 0.000 0.426 184 L N 0.564 121.652 121.223 -0.224 0.000 2.046 184 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 184 L C 2.238 179.070 176.870 -0.063 0.000 1.077 184 L CA 2.221 56.948 54.840 -0.188 0.000 0.747 184 L CB -1.072 40.760 42.059 -0.378 0.000 0.896 184 L HN 0.304 nan 8.230 nan 0.000 0.432 185 A N -1.507 121.274 122.820 -0.065 0.000 1.883 185 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 185 A C 2.410 179.991 177.584 -0.005 0.000 1.186 185 A CA 2.132 54.157 52.037 -0.018 0.000 0.624 185 A CB -1.034 17.955 19.000 -0.019 0.000 0.822 185 A HN 0.525 nan 8.150 nan 0.000 0.444 186 S N -0.563 115.127 115.700 -0.017 0.000 2.356 186 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 186 S C 2.077 176.669 174.600 -0.013 0.000 1.032 186 S CA 1.832 60.024 58.200 -0.013 0.000 1.005 186 S CB -0.592 62.599 63.200 -0.016 0.000 0.867 186 S HN 0.712 nan 8.310 nan 0.000 0.449 187 T N 2.141 116.686 114.554 -0.015 0.000 2.720 187 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 187 T C 1.711 176.407 174.700 -0.007 0.000 1.037 187 T CA 1.301 63.389 62.100 -0.019 0.000 1.144 187 T CB -0.325 68.533 68.868 -0.016 0.000 0.864 187 T HN 0.499 nan 8.240 nan 0.000 0.444 188 E N 0.370 120.611 120.200 0.067 0.000 2.110 188 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 188 E C 2.460 179.136 176.600 0.126 0.000 0.988 188 E CA 1.336 57.853 56.400 0.195 0.000 0.804 188 E CB -0.178 29.645 29.700 0.205 0.000 0.745 188 E HN 0.405 nan 8.360 nan 0.000 0.458 189 T N 1.194 115.778 114.554 0.050 0.000 2.708 189 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 189 T C 1.858 176.542 174.700 -0.026 0.000 1.037 189 T CA 1.315 63.427 62.100 0.020 0.000 1.146 189 T CB -0.186 68.686 68.868 0.007 0.000 0.865 189 T HN 0.185 nan 8.240 nan 0.000 0.435 190 Q N 0.185 119.954 119.800 -0.052 0.000 2.050 190 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 190 Q C 2.598 178.506 176.000 -0.153 0.000 0.980 190 Q CA 1.178 56.932 55.803 -0.082 0.000 0.840 190 Q CB -0.413 28.282 28.738 -0.071 0.000 0.898 190 Q HN 0.303 nan 8.270 nan 0.000 0.424 191 V N 0.539 120.299 119.914 -0.256 0.000 2.343 191 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 191 V C 2.231 177.977 176.094 -0.579 0.000 1.051 191 V CA 1.971 63.970 62.300 -0.501 0.000 1.036 191 V CB -1.220 30.109 31.823 -0.823 0.000 0.654 191 V HN 0.579 nan 8.190 nan 0.000 0.451 192 G N -0.055 108.494 108.800 -0.419 0.000 2.469 192 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.219 192 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.219 192 G C 1.531 176.380 174.900 -0.085 0.000 1.150 192 G CA 1.138 46.189 45.100 -0.082 0.000 0.763 192 G HN 0.534 nan 8.290 nan 0.000 0.561 193 N N 0.845 119.493 118.700 -0.086 0.000 2.142 193 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 193 N C 2.165 177.631 175.510 -0.073 0.000 1.023 193 N CA 1.404 54.418 53.050 -0.061 0.000 0.852 193 N CB -0.127 38.333 38.487 -0.046 0.000 0.998 193 N HN 0.533 nan 8.380 nan 0.000 0.424 194 E N 0.589 120.726 120.200 -0.104 0.000 2.085 194 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 194 E C 1.948 178.497 176.600 -0.084 0.000 0.994 194 E CA 0.910 57.257 56.400 -0.089 0.000 0.801 194 E CB -0.106 29.530 29.700 -0.105 0.000 0.743 194 E HN 0.437 nan 8.360 nan 0.000 0.453 195 L N 0.367 121.513 121.223 -0.127 0.000 2.529 195 L HA 0.141 4.481 4.340 -0.000 0.000 0.223 195 L C 2.467 179.297 176.870 -0.065 0.000 1.113 195 L CA 0.125 54.897 54.840 -0.113 0.000 0.861 195 L CB -0.247 41.697 42.059 -0.193 0.000 1.012 195 L HN 0.102 nan 8.230 nan 0.000 0.461 196 A N 1.622 124.411 122.820 -0.051 0.000 1.892 196 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 196 A C -0.193 177.382 177.584 -0.015 0.000 1.188 196 A CA 1.841 53.864 52.037 -0.025 0.000 0.631 196 A CB -1.785 17.204 19.000 -0.019 0.000 0.822 196 A HN 0.294 nan 8.150 nan 0.000 0.447 197 P HA 0.018 nan 4.420 nan 0.000 0.237 197 P C 0.857 178.162 177.300 0.008 0.000 1.178 197 P CA 0.606 63.705 63.100 -0.002 0.000 0.766 197 P CB -0.030 31.669 31.700 -0.002 0.000 0.876 198 L N -1.710 119.516 121.223 0.005 0.000 2.554 198 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 198 L C 0.831 177.723 176.870 0.037 0.000 1.104 198 L CA -0.038 54.816 54.840 0.024 0.000 0.866 198 L CB -0.433 41.632 42.059 0.011 0.000 1.047 198 L HN -0.120 nan 8.230 nan 0.000 0.468 199 K N 1.331 121.741 120.400 0.016 0.000 2.484 199 K HA 0.152 4.472 4.320 -0.000 0.000 0.280 199 K C 1.161 177.777 176.600 0.027 0.000 1.013 199 K CA 0.835 57.133 56.287 0.018 0.000 1.029 199 K CB 0.353 32.853 32.500 0.001 0.000 0.902 199 K HN 0.269 nan 8.250 nan 0.000 0.481 200 G N 2.512 111.329 108.800 0.029 0.000 2.225 200 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 200 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 200 G C -0.170 174.757 174.900 0.045 0.000 0.988 200 G CA -0.113 45.000 45.100 0.022 0.000 0.625 200 G HN 0.545 nan 8.290 nan 0.000 0.527 201 K N 1.309 121.764 120.400 0.091 0.000 2.297 201 K HA 0.499 4.819 4.320 -0.000 0.000 0.286 201 K C 0.846 177.559 176.600 0.188 0.000 1.053 201 K CA 0.178 56.543 56.287 0.130 0.000 0.940 201 K CB 1.313 33.904 32.500 0.152 0.000 1.019 201 K HN 0.284 nan 8.250 nan 0.000 0.475 202 G N 2.356 111.227 108.800 0.118 0.000 2.448 202 G HA2 0.462 4.422 3.960 -0.000 0.000 0.285 202 G HA3 0.462 4.422 3.960 -0.000 0.000 0.285 202 G C -1.004 174.002 174.900 0.177 0.000 1.176 202 G CA -0.283 44.827 45.100 0.018 0.000 0.852 202 G HN 0.661 nan 8.290 nan 0.000 0.530 203 Y N -1.476 118.826 120.300 0.002 0.000 2.713 203 Y HA 0.704 5.254 4.550 -0.000 0.000 0.335 203 Y C -1.788 174.104 175.900 -0.013 0.000 1.222 203 Y CA -2.208 55.969 58.100 0.128 0.000 1.061 203 Y CB 1.102 39.782 38.460 0.366 0.000 1.314 203 Y HN 0.397 nan 8.280 nan 0.000 0.453 204 F N 2.004 122.178 119.950 0.375 0.000 2.495 204 F HA 0.666 5.192 4.527 -0.000 0.000 0.327 204 F C 0.180 176.373 175.800 0.655 0.000 1.103 204 F CA -1.094 57.099 58.000 0.320 0.000 0.949 204 F CB 2.180 41.214 39.000 0.057 0.000 1.142 204 F HN 0.589 nan 8.300 nan 0.000 0.457 205 V N 0.747 121.105 119.914 0.739 0.000 2.837 205 V HA 0.381 4.501 4.120 -0.000 0.000 0.310 205 V C 0.541 177.122 176.094 0.812 0.000 1.059 205 V CA -0.510 62.198 62.300 0.681 0.000 1.004 205 V CB 1.402 33.482 31.823 0.427 0.000 1.045 205 V HN 0.809 nan 8.190 nan 0.000 0.465 206 F N 2.108 122.374 119.950 0.527 0.000 2.113 206 F HA 0.094 4.620 4.527 -0.000 0.000 0.297 206 F C 1.141 177.210 175.800 0.448 0.000 1.103 206 F CA 1.831 60.081 58.000 0.418 0.000 1.248 206 F CB -0.133 38.992 39.000 0.209 0.000 0.999 206 F HN 0.934 nan 8.300 nan 0.000 0.475 207 H N -1.357 117.793 119.070 0.133 0.000 2.946 207 H HA 0.243 4.799 4.556 -0.000 0.000 0.365 207 H C -1.140 174.187 175.328 -0.001 0.000 1.197 207 H CA -0.856 55.134 56.048 -0.096 0.000 1.131 207 H CB 0.861 30.423 29.762 -0.334 0.000 1.849 207 H HN -0.078 nan 8.280 nan 0.000 0.555 208 D N 1.430 121.615 120.400 -0.358 0.000 2.671 208 D HA 0.286 4.926 4.640 -0.000 0.000 0.228 208 D C 0.564 176.407 176.300 -0.762 0.000 1.102 208 D CA 0.329 54.029 54.000 -0.500 0.000 1.044 208 D CB -0.530 39.809 40.800 -0.769 0.000 1.113 208 D HN 0.598 nan 8.370 nan 0.000 0.480 209 A N 1.729 123.905 122.820 -1.073 0.000 2.288 209 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 209 A C 0.700 177.675 177.584 -1.015 0.000 1.199 209 A CA 0.008 51.068 52.037 -1.629 0.000 0.891 209 A CB -0.052 17.953 19.000 -1.659 0.000 0.923 209 A HN 0.434 nan 8.150 nan 0.000 0.500 210 Y N -0.807 119.372 120.300 -0.201 0.000 2.467 210 Y HA 0.260 4.810 4.550 -0.000 0.000 0.250 210 Y C 2.277 178.244 175.900 0.111 0.000 1.155 210 Y CA -0.280 57.842 58.100 0.037 0.000 1.249 210 Y CB -0.299 38.267 38.460 0.176 0.000 1.146 210 Y HN 0.257 nan 8.280 nan 0.000 0.524 211 G N 0.375 109.212 108.800 0.062 0.000 2.513 211 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 211 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 211 G C 1.205 176.074 174.900 -0.052 0.000 1.160 211 G CA 1.423 46.498 45.100 -0.041 0.000 0.767 211 G HN 0.407 nan 8.290 nan 0.000 0.571 212 Y N -0.819 119.522 120.300 0.068 0.000 2.242 212 Y HA 0.055 4.605 4.550 -0.000 0.000 0.291 212 Y C 2.358 178.308 175.900 0.083 0.000 1.137 212 Y CA 1.111 59.243 58.100 0.052 0.000 1.181 212 Y CB -0.506 37.978 38.460 0.040 0.000 0.989 212 Y HN 0.240 nan 8.280 nan 0.000 0.527 213 F N 0.926 120.989 119.950 0.188 0.000 2.163 213 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 213 F C 2.031 177.919 175.800 0.146 0.000 1.094 213 F CA 1.502 59.622 58.000 0.199 0.000 1.290 213 F CB -0.226 38.945 39.000 0.285 0.000 1.017 213 F HN -0.011 nan 8.300 nan 0.000 0.483 214 E N 0.136 120.514 120.200 0.296 0.000 2.077 214 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 214 E C 2.030 178.612 176.600 -0.030 0.000 0.989 214 E CA 1.457 57.924 56.400 0.110 0.000 0.800 214 E CB -0.190 29.613 29.700 0.170 0.000 0.746 214 E HN 0.248 nan 8.360 nan 0.000 0.452 215 K N 1.366 121.739 120.400 -0.045 0.000 2.026 215 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 215 K C 2.202 178.690 176.600 -0.186 0.000 1.048 215 K CA 1.731 57.958 56.287 -0.100 0.000 0.929 215 K CB -0.058 32.385 32.500 -0.095 0.000 0.713 215 K HN 0.011 nan 8.250 nan 0.000 0.439 216 Q N -0.954 118.660 119.800 -0.310 0.000 2.050 216 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 216 Q C 0.987 176.580 176.000 -0.679 0.000 0.980 216 Q CA 1.880 57.326 55.803 -0.595 0.000 0.840 216 Q CB -0.050 28.104 28.738 -0.973 0.000 0.898 216 Q HN 0.374 nan 8.270 nan 0.000 0.424 217 F N -0.967 118.803 119.950 -0.298 0.000 2.727 217 F HA 0.386 4.913 4.527 -0.000 0.000 0.302 217 F C 1.343 177.015 175.800 -0.214 0.000 1.097 217 F CA 0.376 58.189 58.000 -0.311 0.000 1.330 217 F CB 0.710 39.394 39.000 -0.526 0.000 1.084 217 F HN 0.247 nan 8.300 nan 0.000 0.578 218 G N 0.993 109.761 108.800 -0.054 0.000 2.143 218 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 218 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 218 G C 0.256 175.141 174.900 -0.026 0.000 0.991 218 G CA -0.225 44.850 45.100 -0.041 0.000 0.689 218 G HN 0.279 nan 8.290 nan 0.000 0.522 219 L N 0.989 122.194 121.223 -0.030 0.000 2.461 219 L HA 0.433 4.772 4.340 -0.000 0.000 0.272 219 L C 1.293 178.184 176.870 0.034 0.000 1.197 219 L CA 0.855 55.703 54.840 0.014 0.000 0.836 219 L CB 0.819 42.850 42.059 -0.048 0.000 1.105 219 L HN 0.373 nan 8.230 nan 0.000 0.477 220 T N -0.181 114.407 114.554 0.058 0.000 3.378 220 T HA 0.362 4.712 4.350 -0.000 0.000 0.359 220 T C -2.376 172.124 174.700 -0.334 0.000 1.815 220 T CA -1.821 60.230 62.100 -0.082 0.000 1.509 220 T CB 0.361 69.195 68.868 -0.056 0.000 1.049 220 T HN 0.266 nan 8.240 nan 0.000 0.705 221 P HA 0.236 nan 4.420 nan 0.000 0.271 221 P C 0.825 177.719 177.300 -0.676 0.000 1.216 221 P CA -0.579 61.869 63.100 -1.086 0.000 0.776 221 P CB 1.479 32.799 31.700 -0.634 0.000 0.881 222 L N 1.035 121.753 121.223 -0.842 0.000 2.240 222 L HA 0.216 4.556 4.340 -0.000 0.000 0.211 222 L C 1.452 177.812 176.870 -0.851 0.000 1.106 222 L CA 1.186 55.547 54.840 -0.799 0.000 0.793 222 L CB -0.469 41.028 42.059 -0.938 0.000 0.927 222 L HN 0.659 nan 8.230 nan 0.000 0.446 223 G N -1.601 106.611 108.800 -0.979 0.000 2.323 223 G HA2 0.218 4.177 3.960 -0.000 0.000 0.291 223 G HA3 0.218 4.177 3.960 -0.000 0.000 0.291 223 G C -1.738 173.118 174.900 -0.073 0.000 1.278 223 G CA -0.732 44.070 45.100 -0.497 0.000 0.860 223 G HN 0.147 nan 8.290 nan 0.000 0.504 224 H N -1.196 118.004 119.070 0.217 0.000 2.768 224 H HA 0.552 5.108 4.556 -0.000 0.000 0.371 224 H C 0.223 175.669 175.328 0.197 0.000 1.151 224 H CA -0.928 55.286 56.048 0.275 0.000 1.165 224 H CB 1.647 31.498 29.762 0.149 0.000 1.722 224 H HN 0.278 nan 8.280 nan 0.000 0.543 225 F N 1.515 121.600 119.950 0.224 0.000 2.134 225 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 225 F C 1.584 177.353 175.800 -0.053 0.000 1.097 225 F CA 1.890 59.919 58.000 0.049 0.000 1.264 225 F CB 0.367 39.437 39.000 0.116 0.000 1.001 225 F HN 0.671 nan 8.300 nan 0.000 0.479 226 T N -4.329 110.258 114.554 0.055 0.000 2.896 226 T HA 0.494 4.843 4.350 -0.000 0.000 0.297 226 T C 0.380 175.069 174.700 -0.018 0.000 1.108 226 T CA -0.751 61.298 62.100 -0.085 0.000 1.004 226 T CB 1.757 70.365 68.868 -0.433 0.000 1.159 226 T HN -0.243 nan 8.240 nan 0.000 0.499 227 V N 1.071 120.956 119.914 -0.047 0.000 2.341 227 V HA 0.150 4.269 4.120 -0.000 0.000 0.240 227 V C 1.008 176.997 176.094 -0.174 0.000 1.035 227 V CA 0.693 62.920 62.300 -0.122 0.000 1.033 227 V CB -0.474 31.312 31.823 -0.061 0.000 0.678 227 V HN 0.846 nan 8.190 nan 0.000 0.464 228 N N 2.837 121.419 118.700 -0.196 0.000 2.420 228 N HA 0.178 4.918 4.740 -0.000 0.000 0.249 228 N C -2.104 173.165 175.510 -0.403 0.000 1.033 228 N CA -1.213 51.653 53.050 -0.307 0.000 0.944 228 N CB 1.461 39.870 38.487 -0.131 0.000 1.113 228 N HN 0.280 nan 8.380 nan 0.000 0.502 229 P HA -0.067 nan 4.420 nan 0.000 0.234 229 P C 0.595 177.562 177.300 -0.556 0.000 1.167 229 P CA 0.868 63.441 63.100 -0.878 0.000 0.763 229 P CB 0.539 31.363 31.700 -1.460 0.000 0.835 230 E N 0.174 120.232 120.200 -0.236 0.000 2.208 230 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 230 E C 1.086 177.683 176.600 -0.005 0.000 0.988 230 E CA 0.405 56.804 56.400 -0.001 0.000 0.828 230 E CB -0.217 29.527 29.700 0.074 0.000 0.763 230 E HN 0.439 nan 8.360 nan 0.000 0.478 231 I N 2.519 123.051 120.570 -0.063 0.000 2.315 231 I HA 0.045 4.215 4.170 -0.000 0.000 0.291 231 I C 0.659 176.766 176.117 -0.017 0.000 1.006 231 I CA -0.494 60.790 61.300 -0.026 0.000 1.265 231 I CB 0.864 38.846 38.000 -0.030 0.000 1.387 231 I HN -0.250 nan 8.210 nan 0.000 0.475 232 Q N 7.290 127.107 119.800 0.028 0.000 2.311 232 Q HA 0.115 4.455 4.340 -0.000 0.000 0.272 232 Q C -1.364 174.664 176.000 0.046 0.000 1.012 232 Q CA -1.185 54.653 55.803 0.058 0.000 0.891 232 Q CB 1.172 29.951 28.738 0.068 0.000 1.201 232 Q HN 0.427 nan 8.270 nan 0.000 0.391 233 P HA -0.097 nan 4.420 nan 0.000 0.215 233 P C -0.044 177.273 177.300 0.029 0.000 1.153 233 P CA 1.230 64.366 63.100 0.061 0.000 0.853 233 P CB 0.148 31.933 31.700 0.143 0.000 0.788 234 G N -1.669 107.153 108.800 0.037 0.000 2.788 234 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 234 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 234 G C 0.750 175.647 174.900 -0.005 0.000 1.147 234 G CA -0.333 44.775 45.100 0.013 0.000 0.755 234 G HN 0.283 nan 8.290 nan 0.000 0.634 235 A N 0.922 123.744 122.820 0.003 0.000 1.933 235 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 235 A C 2.294 179.818 177.584 -0.100 0.000 1.175 235 A CA 2.479 54.521 52.037 0.009 0.000 0.628 235 A CB -0.412 18.623 19.000 0.058 0.000 0.814 235 A HN 1.220 nan 8.150 nan 0.000 0.444 236 Q N -0.663 119.044 119.800 -0.155 0.000 2.030 236 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 236 Q C 2.284 177.924 176.000 -0.600 0.000 0.986 236 Q CA 2.068 57.618 55.803 -0.421 0.000 0.843 236 Q CB -0.182 28.455 28.738 -0.169 0.000 0.904 236 Q HN 0.462 nan 8.270 nan 0.000 0.420 237 R N 0.479 120.808 120.500 -0.286 0.000 2.119 237 R HA -0.151 4.188 4.340 -0.000 0.000 0.246 237 R C 2.095 178.239 176.300 -0.260 0.000 1.146 237 R CA 1.813 57.774 56.100 -0.232 0.000 0.962 237 R CB -0.807 29.419 30.300 -0.122 0.000 0.863 237 R HN 0.447 nan 8.270 nan 0.000 0.442 238 L N -0.538 120.574 121.223 -0.183 0.000 2.027 238 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 238 L C 2.511 179.318 176.870 -0.106 0.000 1.074 238 L CA 1.859 56.645 54.840 -0.090 0.000 0.745 238 L CB -0.867 41.219 42.059 0.044 0.000 0.898 238 L HN 0.482 nan 8.230 nan 0.000 0.433 239 H N -0.892 118.154 119.070 -0.040 0.000 2.457 239 H HA -0.095 4.461 4.556 -0.000 0.000 0.294 239 H C 1.788 177.068 175.328 -0.080 0.000 1.064 239 H CA 1.157 57.176 56.048 -0.048 0.000 1.330 239 H CB -0.503 29.244 29.762 -0.025 0.000 1.395 239 H HN 0.359 nan 8.280 nan 0.000 0.541 240 E N 0.527 120.618 120.200 -0.181 0.000 2.106 240 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 240 E C 2.093 178.587 176.600 -0.176 0.000 0.984 240 E CA 1.150 57.487 56.400 -0.106 0.000 0.806 240 E CB -0.028 29.565 29.700 -0.178 0.000 0.750 240 E HN 0.520 nan 8.360 nan 0.000 0.458 241 I N 0.843 121.213 120.570 -0.333 0.000 2.179 241 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 241 I C 2.755 178.608 176.117 -0.438 0.000 1.088 241 I CA 1.051 61.970 61.300 -0.634 0.000 1.357 241 I CB -0.234 37.164 38.000 -1.004 0.000 1.051 241 I HN 0.046 nan 8.210 nan 0.000 0.409 242 R N 0.541 120.903 120.500 -0.230 0.000 2.081 242 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 242 R C 2.252 178.526 176.300 -0.043 0.000 1.131 242 R CA 2.128 58.168 56.100 -0.100 0.000 0.960 242 R CB -0.323 29.966 30.300 -0.017 0.000 0.856 242 R HN 0.286 nan 8.270 nan 0.000 0.436 243 T N 0.767 115.309 114.554 -0.020 0.000 2.684 243 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 243 T C 1.720 176.428 174.700 0.013 0.000 1.036 243 T CA 1.752 63.857 62.100 0.008 0.000 1.148 243 T CB -0.234 68.651 68.868 0.029 0.000 0.863 243 T HN 0.418 nan 8.240 nan 0.000 0.436 244 Q N 0.294 120.097 119.800 0.006 0.000 2.050 244 Q HA -0.055 4.284 4.340 -0.000 0.000 0.202 244 Q C 2.306 178.383 176.000 0.128 0.000 0.980 244 Q CA 1.185 57.034 55.803 0.076 0.000 0.840 244 Q CB -0.318 28.512 28.738 0.154 0.000 0.898 244 Q HN 0.485 nan 8.270 nan 0.000 0.424 245 L N -0.376 120.923 121.223 0.128 0.000 1.989 245 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 245 L C 2.425 179.350 176.870 0.091 0.000 1.071 245 L CA 1.215 56.152 54.840 0.161 0.000 0.749 245 L CB -0.539 41.582 42.059 0.103 0.000 0.890 245 L HN 0.173 nan 8.230 nan 0.000 0.431 246 V N -0.385 119.560 119.914 0.053 0.000 2.261 246 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 246 V C 2.373 178.489 176.094 0.036 0.000 1.047 246 V CA 1.936 64.260 62.300 0.039 0.000 1.015 246 V CB -0.472 31.366 31.823 0.024 0.000 0.642 246 V HN 0.439 nan 8.190 nan 0.000 0.446 247 E N -0.288 119.932 120.200 0.034 0.000 2.047 247 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 247 E C 2.111 178.728 176.600 0.028 0.000 0.987 247 E CA 1.146 57.562 56.400 0.027 0.000 0.799 247 E CB -0.092 29.622 29.700 0.023 0.000 0.752 247 E HN 0.652 nan 8.360 nan 0.000 0.449 248 Q N 0.281 120.105 119.800 0.040 0.000 2.322 248 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 248 Q C -0.466 175.554 176.000 0.034 0.000 0.923 248 Q CA 0.011 55.833 55.803 0.030 0.000 0.949 248 Q CB 0.479 29.230 28.738 0.022 0.000 1.039 248 Q HN -0.005 nan 8.270 nan 0.000 0.496 249 K N -0.253 120.173 120.400 0.043 0.000 3.150 249 K HA -0.179 4.140 4.320 -0.000 0.000 0.267 249 K C -0.478 176.156 176.600 0.058 0.000 1.028 249 K CA 0.775 57.088 56.287 0.044 0.000 0.753 249 K CB -2.092 30.427 32.500 0.031 0.000 1.288 249 K HN 0.404 nan 8.250 nan 0.000 0.473 250 A N 0.321 123.191 122.820 0.083 0.000 2.407 250 A HA 0.301 4.621 4.320 -0.000 0.000 0.248 250 A C 1.588 179.238 177.584 0.110 0.000 1.082 250 A CA 0.693 52.797 52.037 0.112 0.000 0.785 250 A CB 0.562 19.666 19.000 0.173 0.000 1.020 250 A HN 0.463 nan 8.150 nan 0.000 0.489 251 T N -1.224 113.406 114.554 0.126 0.000 3.040 251 T HA 0.155 4.505 4.350 -0.000 0.000 0.252 251 T C 0.384 175.120 174.700 0.060 0.000 1.064 251 T CA 0.908 63.063 62.100 0.090 0.000 1.110 251 T CB -0.330 68.588 68.868 0.083 0.000 0.921 251 T HN 0.666 nan 8.240 nan 0.000 0.480 252 c N 1.559 120.215 118.600 0.093 0.000 2.994 252 c HA 0.855 5.425 4.570 -0.000 0.000 0.304 252 c C -0.535 173.568 174.090 0.022 0.000 1.273 252 c CA -1.053 55.225 56.329 -0.086 0.000 1.537 252 c CB 1.755 44.026 42.510 -0.398 0.000 2.001 252 c HN 0.527 nan 8.230 nan 0.000 0.471 253 V N -0.394 119.452 119.914 -0.113 0.000 2.769 253 V HA 0.815 4.935 4.120 -0.000 0.000 0.312 253 V C -1.276 174.700 176.094 -0.197 0.000 1.061 253 V CA -0.571 61.803 62.300 0.123 0.000 0.931 253 V CB 1.659 33.683 31.823 0.336 0.000 1.010 253 V HN 0.687 nan 8.190 nan 0.000 0.433 254 F N 2.206 122.316 119.950 0.267 0.000 2.477 254 F HA 0.852 5.379 4.527 -0.000 0.000 0.335 254 F C 0.740 176.601 175.800 0.102 0.000 1.130 254 F CA -0.204 57.858 58.000 0.103 0.000 0.948 254 F CB 1.836 40.828 39.000 -0.013 0.000 1.154 254 F HN 0.941 nan 8.300 nan 0.000 0.439 255 A N 2.989 125.907 122.820 0.163 0.000 2.267 255 A HA 0.716 5.036 4.320 -0.000 0.000 0.271 255 A C -0.429 177.252 177.584 0.161 0.000 1.131 255 A CA -0.382 51.678 52.037 0.037 0.000 0.818 255 A CB 0.477 19.434 19.000 -0.072 0.000 1.118 255 A HN 0.791 nan 8.150 nan 0.000 0.501 256 E N -0.570 119.713 120.200 0.137 0.000 2.340 256 E HA 0.350 4.700 4.350 -0.000 0.000 0.273 256 E C -2.185 174.506 176.600 0.152 0.000 0.891 256 E CA -1.745 54.810 56.400 0.258 0.000 0.757 256 E CB 2.043 32.058 29.700 0.524 0.000 1.231 256 E HN 0.364 nan 8.360 nan 0.000 0.439 257 P HA -0.144 nan 4.420 nan 0.000 0.222 257 P C 0.669 177.948 177.300 -0.036 0.000 1.147 257 P CA 1.100 64.223 63.100 0.039 0.000 0.790 257 P CB 0.389 32.117 31.700 0.047 0.000 0.780 258 Q N -1.387 118.373 119.800 -0.068 0.000 2.435 258 Q HA 0.110 4.450 4.340 -0.000 0.000 0.207 258 Q C 0.046 175.566 176.000 -0.800 0.000 0.956 258 Q CA 0.768 56.329 55.803 -0.402 0.000 0.917 258 Q CB -0.326 28.118 28.738 -0.491 0.000 0.997 258 Q HN 0.283 nan 8.270 nan 0.000 0.497 259 F N -0.592 119.361 119.950 0.006 0.000 2.565 259 F HA 0.427 4.954 4.527 -0.000 0.000 0.313 259 F C 0.086 175.773 175.800 -0.189 0.000 1.091 259 F CA -1.339 56.614 58.000 -0.078 0.000 0.915 259 F CB 1.320 40.270 39.000 -0.083 0.000 1.208 259 F HN -0.373 nan 8.300 nan 0.000 0.453 260 R N 3.236 123.744 120.500 0.012 0.000 2.502 260 R HA 0.086 4.426 4.340 -0.000 0.000 0.292 260 R C -1.606 174.595 176.300 -0.165 0.000 0.998 260 R CA -0.820 55.244 56.100 -0.060 0.000 1.056 260 R CB 0.327 30.615 30.300 -0.020 0.000 0.939 260 R HN 0.355 nan 8.270 nan 0.000 0.411 261 P HA 0.025 nan 4.420 nan 0.000 0.253 261 P C 0.609 177.799 177.300 -0.183 0.000 1.260 261 P CA 0.331 63.296 63.100 -0.226 0.000 0.800 261 P CB 0.407 32.018 31.700 -0.149 0.000 1.162 262 A N 1.513 124.261 122.820 -0.119 0.000 1.896 262 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 262 A C 2.342 179.884 177.584 -0.070 0.000 1.206 262 A CA 2.932 54.927 52.037 -0.070 0.000 0.647 262 A CB -1.738 17.241 19.000 -0.035 0.000 0.828 262 A HN 0.206 nan 8.150 nan 0.000 0.455 263 V N -2.455 117.405 119.914 -0.090 0.000 2.407 263 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 263 V C 2.183 178.214 176.094 -0.105 0.000 1.055 263 V CA 2.132 64.405 62.300 -0.044 0.000 1.049 263 V CB -1.311 30.530 31.823 0.031 0.000 0.662 263 V HN 0.237 nan 8.190 nan 0.000 0.455 264 V N 0.806 120.536 119.914 -0.307 0.000 2.358 264 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 264 V C 2.751 178.800 176.094 -0.076 0.000 1.047 264 V CA 2.439 64.514 62.300 -0.375 0.000 1.035 264 V CB -0.846 30.714 31.823 -0.439 0.000 0.658 264 V HN 0.581 nan 8.190 nan 0.000 0.452 265 E N 0.798 120.952 120.200 -0.075 0.000 2.110 265 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 265 E C 2.383 178.990 176.600 0.011 0.000 0.988 265 E CA 1.605 57.990 56.400 -0.026 0.000 0.804 265 E CB -0.248 29.430 29.700 -0.037 0.000 0.745 265 E HN 0.760 nan 8.360 nan 0.000 0.458 266 S N 0.403 116.113 115.700 0.017 0.000 2.368 266 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 266 S C 2.206 176.847 174.600 0.068 0.000 1.030 266 S CA 1.024 59.248 58.200 0.040 0.000 0.999 266 S CB -0.544 62.682 63.200 0.043 0.000 0.844 266 S HN 0.064 nan 8.310 nan 0.000 0.459 267 V N 2.332 122.316 119.914 0.117 0.000 2.490 267 V HA -0.076 4.044 4.120 -0.000 0.000 0.250 267 V C 3.072 179.222 176.094 0.094 0.000 1.061 267 V CA 1.597 63.980 62.300 0.138 0.000 1.064 267 V CB -1.336 30.655 31.823 0.280 0.000 0.670 267 V HN 0.688 nan 8.190 nan 0.000 0.461 268 A N 0.943 123.818 122.820 0.091 0.000 1.929 268 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 268 A C 1.480 179.087 177.584 0.038 0.000 1.176 268 A CA 0.554 52.629 52.037 0.063 0.000 0.628 268 A CB -0.370 18.658 19.000 0.048 0.000 0.816 268 A HN 0.712 nan 8.150 nan 0.000 0.444 269 R N -1.275 119.244 120.500 0.032 0.000 2.570 269 R HA 0.405 4.745 4.340 -0.000 0.000 0.277 269 R C 0.971 177.284 176.300 0.021 0.000 1.039 269 R CA 0.488 56.600 56.100 0.022 0.000 1.065 269 R CB 0.021 30.331 30.300 0.017 0.000 0.964 269 R HN 0.788 nan 8.270 nan 0.000 0.428 270 G N 1.413 110.223 108.800 0.016 0.000 2.317 270 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.227 270 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.227 270 G C 0.296 175.205 174.900 0.014 0.000 1.042 270 G CA 0.244 45.352 45.100 0.013 0.000 0.623 270 G HN 1.060 nan 8.290 nan 0.000 0.509 271 T N -1.636 112.929 114.554 0.018 0.000 2.897 271 T HA 0.679 5.029 4.350 -0.000 0.000 0.278 271 T C 1.146 175.857 174.700 0.019 0.000 0.981 271 T CA 0.787 62.899 62.100 0.021 0.000 0.973 271 T CB 1.750 70.636 68.868 0.028 0.000 1.092 271 T HN 0.322 nan 8.240 nan 0.000 0.543 272 S N -0.076 115.636 115.700 0.021 0.000 2.650 272 S HA 0.198 4.668 4.470 -0.000 0.000 0.219 272 S C 0.529 175.141 174.600 0.021 0.000 0.960 272 S CA -0.417 57.795 58.200 0.019 0.000 0.925 272 S CB -0.412 62.800 63.200 0.020 0.000 0.775 272 S HN 0.565 nan 8.310 nan 0.000 0.525 273 V N 3.538 123.468 119.914 0.027 0.000 2.508 273 V HA 0.186 4.306 4.120 -0.000 0.000 0.281 273 V C 0.822 176.916 176.094 0.000 0.000 1.041 273 V CA -0.203 62.114 62.300 0.028 0.000 1.016 273 V CB 0.363 32.220 31.823 0.057 0.000 0.984 273 V HN 0.350 nan 8.190 nan 0.000 0.478 277 T N 0.512 115.218 114.554 0.253 0.000 3.032 277 T HA 0.595 4.944 4.350 -0.000 0.000 0.312 277 T C -0.746 174.012 174.700 0.096 0.000 1.078 277 T CA -0.346 61.867 62.100 0.188 0.000 1.028 277 T CB 1.323 70.244 68.868 0.088 0.000 1.091 277 T HN 0.511 nan 8.240 nan 0.000 0.457 278 L N 2.484 123.712 121.223 0.008 0.000 2.334 278 L HA 0.646 4.986 4.340 -0.000 0.000 0.276 278 L C -0.545 176.390 176.870 0.109 0.000 1.014 278 L CA -0.948 53.786 54.840 -0.177 0.000 0.815 278 L CB 1.665 43.342 42.059 -0.638 0.000 1.268 278 L HN 0.529 nan 8.230 nan 0.000 0.428 279 D N 3.948 124.438 120.400 0.151 0.000 2.461 279 D HA 0.272 4.912 4.640 -0.000 0.000 0.240 279 D C -1.804 174.757 176.300 0.434 0.000 1.094 279 D CA -1.961 52.208 54.000 0.280 0.000 0.868 279 D CB 1.779 42.710 40.800 0.219 0.000 1.062 279 D HN 0.175 nan 8.370 nan 0.000 0.530 280 P HA 0.031 nan 4.420 nan 0.000 0.242 280 P C 0.840 178.537 177.300 0.661 0.000 1.197 280 P CA 0.316 63.767 63.100 0.586 0.000 0.765 280 P CB 0.518 32.416 31.700 0.330 0.000 0.936 281 L N -1.671 119.775 121.223 0.370 0.000 2.906 281 L HA 0.381 4.721 4.340 -0.000 0.000 0.255 281 L C 1.116 177.935 176.870 -0.084 0.000 1.166 281 L CA 0.164 55.014 54.840 0.016 0.000 0.977 281 L CB -0.365 41.680 42.059 -0.024 0.000 1.313 281 L HN -0.007 nan 8.230 nan 0.000 0.549 282 G N 1.426 110.347 108.800 0.201 0.000 2.341 282 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.292 282 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.292 282 G C 1.123 176.168 174.900 0.242 0.000 1.021 282 G CA 0.815 46.103 45.100 0.313 0.000 0.905 282 G HN 0.477 nan 8.290 nan 0.000 0.508 283 T N -1.622 113.015 114.554 0.139 0.000 2.737 283 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 283 T C 1.883 176.646 174.700 0.106 0.000 1.040 283 T CA 1.823 63.972 62.100 0.082 0.000 1.142 283 T CB -0.280 68.616 68.868 0.047 0.000 0.861 283 T HN 0.906 nan 8.240 nan 0.000 0.456 284 N N 0.884 119.658 118.700 0.124 0.000 2.268 284 N HA 0.142 4.882 4.740 -0.000 0.000 0.204 284 N C -0.173 175.391 175.510 0.089 0.000 1.124 284 N CA -0.277 52.827 53.050 0.090 0.000 0.838 284 N CB -0.104 38.423 38.487 0.068 0.000 0.994 284 N HN 0.452 nan 8.380 nan 0.000 0.489 285 I N 1.229 121.882 120.570 0.137 0.000 2.359 285 I HA 0.197 4.366 4.170 -0.000 0.000 0.294 285 I C 0.218 176.400 176.117 0.110 0.000 0.987 285 I CA -0.710 60.617 61.300 0.045 0.000 1.225 285 I CB 1.462 39.380 38.000 -0.137 0.000 1.366 285 I HN -0.217 nan 8.210 nan 0.000 0.466 286 K N 6.151 126.575 120.400 0.039 0.000 2.185 286 K HA 0.472 4.792 4.320 -0.000 0.000 0.271 286 K C -0.511 176.154 176.600 0.109 0.000 1.013 286 K CA -0.747 55.595 56.287 0.092 0.000 0.943 286 K CB 1.019 33.548 32.500 0.049 0.000 0.998 286 K HN 0.436 nan 8.250 nan 0.000 0.468 287 L N 1.286 122.634 121.223 0.209 0.000 2.506 287 L HA 0.110 4.450 4.340 -0.000 0.000 0.281 287 L C 0.912 177.851 176.870 0.115 0.000 1.228 287 L CA 0.675 55.657 54.840 0.235 0.000 0.850 287 L CB 0.093 42.251 42.059 0.165 0.000 1.110 287 L HN 0.961 nan 8.230 nan 0.000 0.496 288 G N 1.294 110.164 108.800 0.117 0.000 2.337 288 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.298 288 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.298 288 G C -0.219 174.735 174.900 0.090 0.000 1.335 288 G CA -0.257 44.889 45.100 0.077 0.000 0.875 288 G HN 0.540 nan 8.290 nan 0.000 0.579 289 K N -1.009 119.440 120.400 0.081 0.000 2.063 289 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 289 K C 2.274 178.961 176.600 0.145 0.000 1.048 289 K CA 2.474 58.826 56.287 0.108 0.000 0.928 289 K CB -0.259 32.293 32.500 0.088 0.000 0.713 289 K HN 0.638 nan 8.250 nan 0.000 0.442 290 T N -1.955 112.658 114.554 0.097 0.000 3.122 290 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 290 T C 1.550 176.284 174.700 0.057 0.000 1.067 290 T CA 0.378 62.534 62.100 0.094 0.000 0.966 290 T CB 0.310 69.207 68.868 0.048 0.000 1.002 290 T HN 0.212 nan 8.240 nan 0.000 0.542 291 S N 0.603 116.311 115.700 0.013 0.000 2.382 291 S HA -0.186 4.284 4.470 -0.000 0.000 0.228 291 S C 1.745 176.209 174.600 -0.227 0.000 1.027 291 S CA 0.607 58.655 58.200 -0.253 0.000 0.991 291 S CB -0.994 61.955 63.200 -0.418 0.000 0.823 291 S HN 0.535 nan 8.310 nan 0.000 0.469 292 Y N 2.508 122.848 120.300 0.068 0.000 2.163 292 Y HA -0.050 4.500 4.550 -0.000 0.000 0.288 292 Y C 2.777 178.850 175.900 0.288 0.000 1.136 292 Y CA 1.297 59.603 58.100 0.342 0.000 1.147 292 Y CB -0.885 37.921 38.460 0.577 0.000 0.987 292 Y HN 0.280 nan 8.280 nan 0.000 0.509 293 S N 0.151 115.947 115.700 0.160 0.000 2.359 293 S HA -0.249 4.221 4.470 -0.000 0.000 0.224 293 S C 1.831 176.401 174.600 -0.051 0.000 1.035 293 S CA 1.726 59.930 58.200 0.006 0.000 1.018 293 S CB -0.341 62.881 63.200 0.036 0.000 0.876 293 S HN 0.571 nan 8.310 nan 0.000 0.448 294 E N -0.081 120.095 120.200 -0.041 0.000 2.085 294 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 294 E C 1.788 178.363 176.600 -0.042 0.000 0.994 294 E CA 1.261 57.624 56.400 -0.061 0.000 0.801 294 E CB -0.233 29.410 29.700 -0.094 0.000 0.743 294 E HN 0.537 nan 8.360 nan 0.000 0.453 295 F N 1.487 121.304 119.950 -0.221 0.000 2.069 295 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 295 F C 1.843 177.588 175.800 -0.091 0.000 1.113 295 F CA 1.423 59.352 58.000 -0.118 0.000 1.214 295 F CB -0.398 38.606 39.000 0.007 0.000 0.978 295 F HN -0.077 nan 8.300 nan 0.000 0.474 296 L N -0.619 120.338 121.223 -0.443 0.000 2.083 296 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 296 L C 2.543 179.292 176.870 -0.203 0.000 1.083 296 L CA 1.445 56.044 54.840 -0.402 0.000 0.752 296 L CB -1.035 40.919 42.059 -0.174 0.000 0.899 296 L HN 0.135 nan 8.230 nan 0.000 0.433 297 S N -0.627 114.984 115.700 -0.148 0.000 2.368 297 S HA -0.275 4.195 4.470 -0.000 0.000 0.225 297 S C 1.904 176.450 174.600 -0.090 0.000 1.030 297 S CA 1.483 59.624 58.200 -0.098 0.000 0.999 297 S CB -0.204 62.953 63.200 -0.073 0.000 0.844 297 S HN 0.446 nan 8.310 nan 0.000 0.459 298 Q N 0.331 120.072 119.800 -0.097 0.000 2.079 298 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 298 Q C 2.203 178.139 176.000 -0.106 0.000 0.974 298 Q CA 1.040 56.804 55.803 -0.064 0.000 0.840 298 Q CB -0.221 28.515 28.738 -0.002 0.000 0.898 298 Q HN 0.404 nan 8.270 nan 0.000 0.430 299 L N 0.787 121.872 121.223 -0.230 0.000 2.042 299 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 299 L C 2.272 179.068 176.870 -0.123 0.000 1.076 299 L CA 2.210 56.857 54.840 -0.322 0.000 0.749 299 L CB -0.806 40.841 42.059 -0.687 0.000 0.893 299 L HN 0.297 nan 8.230 nan 0.000 0.432 300 A N -0.592 122.228 122.820 0.001 0.000 1.902 300 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 300 A C 2.078 179.702 177.584 0.066 0.000 1.181 300 A CA 1.925 54.045 52.037 0.138 0.000 0.623 300 A CB -0.790 18.225 19.000 0.025 0.000 0.818 300 A HN 0.591 nan 8.150 nan 0.000 0.443 301 N N -0.082 118.619 118.700 0.001 0.000 2.166 301 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 301 N C 1.893 177.409 175.510 0.010 0.000 1.019 301 N CA 1.583 54.635 53.050 0.002 0.000 0.856 301 N CB -0.462 38.018 38.487 -0.012 0.000 0.993 301 N HN 0.687 nan 8.380 nan 0.000 0.426 302 Q N -0.596 119.184 119.800 -0.034 0.000 2.046 302 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 302 Q C 1.670 177.643 176.000 -0.045 0.000 0.975 302 Q CA 1.198 56.962 55.803 -0.065 0.000 0.836 302 Q CB -0.239 28.397 28.738 -0.170 0.000 0.896 302 Q HN 0.434 nan 8.270 nan 0.000 0.428 303 Y N 0.401 120.593 120.300 -0.180 0.000 2.128 303 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 303 Y C 2.445 178.352 175.900 0.010 0.000 1.154 303 Y CA 1.338 59.312 58.100 -0.210 0.000 1.149 303 Y CB -0.551 37.738 38.460 -0.285 0.000 0.976 303 Y HN 0.156 nan 8.280 nan 0.000 0.505 304 A N -1.202 121.714 122.820 0.159 0.000 1.930 304 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 304 A C 2.472 180.107 177.584 0.086 0.000 1.175 304 A CA 1.787 53.881 52.037 0.095 0.000 0.627 304 A CB -1.183 17.845 19.000 0.046 0.000 0.815 304 A HN 0.411 nan 8.150 nan 0.000 0.443 305 S N -1.345 114.404 115.700 0.082 0.000 2.383 305 S HA -0.222 4.247 4.470 -0.000 0.000 0.229 305 S C 2.025 176.663 174.600 0.063 0.000 1.030 305 S CA 1.778 60.015 58.200 0.061 0.000 1.002 305 S CB -0.848 62.382 63.200 0.050 0.000 0.829 305 S HN 0.700 nan 8.310 nan 0.000 0.467 306 c N 0.322 118.986 118.600 0.107 0.000 2.522 306 c HA 0.341 4.911 4.570 -0.000 0.000 0.280 306 c C 2.500 176.620 174.090 0.049 0.000 1.303 306 c CA 0.362 56.714 56.329 0.038 0.000 1.709 306 c CB -1.476 40.982 42.510 -0.086 0.000 2.071 306 c HN 0.681 nan 8.230 nan 0.000 0.492 307 L N 0.790 122.087 121.223 0.123 0.000 2.179 307 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 307 L C 1.677 178.589 176.870 0.069 0.000 1.096 307 L CA 0.753 55.658 54.840 0.108 0.000 0.779 307 L CB -0.596 41.547 42.059 0.141 0.000 0.922 307 L HN 0.349 nan 8.230 nan 0.000 0.443 308 K N 0.000 120.434 120.400 0.057 0.000 2.780 308 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 308 K CA 0.000 56.309 56.287 0.037 0.000 0.838 308 K CB 0.000 32.517 32.500 0.029 0.000 1.064 308 K HN 0.000 nan 8.250 nan 0.000 0.543