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 1uf7_1_A DATA FIRST_RESID 1 DATA SEQUENCE TRQMILAVGQ QGPIARAETR EQVVVRLLDM LTKAASRGAN FIVFPELALT DATA SEQUENCE TFFPRWHFTD EAELDSFYET EMPGPVVRPL FEKAAELGIG FNLGYAELVV DATA SEQUENCE EGGVKRRFNT SILVDKSGKI VGKYRKIHLP GHKEYEAYRP FQHLEKRYFE DATA SEQUENCE PGDLGFPVYD VDAAKMGMFI ANDRRWPEAW RVMGLRGAEI ICGGYNTPTH DATA SEQUENCE NPPVPQHDHL TSFHHLLSMQ AGSYQNGAWS AAAGKAGMEE NCMLLGHSCI DATA SEQUENCE VAPTGEIVAL TTTLEDEVIT AAVDLDRCRE LREHIFNFKQ HRQPQHYGLI DATA SEQUENCE AEL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.691 174.700 -0.015 0.000 1.109 1 T CA 0.000 62.094 62.100 -0.011 0.000 1.349 1 T CB 0.000 68.859 68.868 -0.014 0.000 0.612 2 R N 0.826 121.317 120.500 -0.014 0.000 2.549 2 R HA 0.244 4.584 4.340 -0.000 0.000 0.344 2 R C -0.062 176.218 176.300 -0.035 0.000 0.979 2 R CA -0.265 55.826 56.100 -0.015 0.000 1.140 2 R CB 0.788 31.092 30.300 0.006 0.000 1.377 2 R HN 0.508 nan 8.270 nan 0.000 0.541 3 Q N 1.153 120.927 119.800 -0.043 0.000 2.342 3 Q HA 0.626 4.966 4.340 -0.000 0.000 0.267 3 Q C 0.063 176.014 176.000 -0.082 0.000 1.038 3 Q CA -0.269 55.494 55.803 -0.065 0.000 0.832 3 Q CB 2.837 31.552 28.738 -0.039 0.000 1.323 3 Q HN 0.113 nan 8.270 nan 0.000 0.448 4 M N -0.473 119.054 119.600 -0.121 0.000 2.949 4 M HA 0.580 5.060 4.480 -0.000 0.000 0.270 4 M C -1.694 174.529 176.300 -0.128 0.000 1.221 4 M CA -0.846 54.390 55.300 -0.107 0.000 0.818 4 M CB 1.640 34.173 32.600 -0.113 0.000 1.635 4 M HN 0.435 nan 8.290 nan 0.000 0.492 5 I N 2.440 122.962 120.570 -0.081 0.000 2.411 5 I HA 0.426 4.596 4.170 -0.000 0.000 0.284 5 I C -1.348 174.745 176.117 -0.040 0.000 1.012 5 I CA -0.880 60.377 61.300 -0.072 0.000 1.119 5 I CB 1.914 39.891 38.000 -0.037 0.000 1.261 5 I HN 0.564 nan 8.210 nan 0.000 0.448 6 L N 7.022 128.209 121.223 -0.060 0.000 2.334 6 L HA 0.835 5.175 4.340 -0.000 0.000 0.277 6 L C -0.157 176.730 176.870 0.027 0.000 1.075 6 L CA 0.190 55.034 54.840 0.008 0.000 0.804 6 L CB 1.331 43.373 42.059 -0.028 0.000 1.174 6 L HN 0.685 nan 8.230 nan 0.000 0.438 7 A N 4.143 126.987 122.820 0.040 0.000 2.423 7 A HA 0.851 5.171 4.320 -0.000 0.000 0.304 7 A C -1.556 176.022 177.584 -0.010 0.000 1.104 7 A CA -0.591 51.449 52.037 0.004 0.000 0.757 7 A CB 1.844 20.821 19.000 -0.039 0.000 1.313 7 A HN 0.497 nan 8.150 nan 0.000 0.423 8 V N 0.580 120.498 119.914 0.006 0.000 2.531 8 V HA 0.633 4.753 4.120 -0.000 0.000 0.301 8 V C 0.518 176.625 176.094 0.021 0.000 1.034 8 V CA -0.017 62.292 62.300 0.015 0.000 0.865 8 V CB 1.965 33.846 31.823 0.096 0.000 0.995 8 V HN 1.269 nan 8.190 nan 0.000 0.424 9 G N 3.727 112.538 108.800 0.018 0.000 3.005 9 G HA2 0.400 4.360 3.960 -0.000 0.000 0.342 9 G HA3 0.400 4.360 3.960 -0.000 0.000 0.342 9 G C -0.237 174.801 174.900 0.231 0.000 1.101 9 G CA -0.307 44.913 45.100 0.200 0.000 1.225 9 G HN 0.686 nan 8.290 nan 0.000 0.462 10 Q N 1.792 121.665 119.800 0.121 0.000 2.352 10 Q HA 0.221 4.561 4.340 -0.000 0.000 0.260 10 Q C -0.298 175.728 176.000 0.042 0.000 0.976 10 Q CA 0.123 55.964 55.803 0.063 0.000 0.881 10 Q CB 0.851 29.620 28.738 0.051 0.000 1.235 10 Q HN 0.530 nan 8.270 nan 0.000 0.419 11 Q N 1.627 121.425 119.800 -0.005 0.000 2.266 11 Q HA 0.523 4.863 4.340 -0.000 0.000 0.261 11 Q C -0.193 175.791 176.000 -0.027 0.000 0.985 11 Q CA -0.606 55.182 55.803 -0.024 0.000 0.873 11 Q CB 1.975 30.685 28.738 -0.047 0.000 1.306 11 Q HN 0.868 nan 8.270 nan 0.000 0.447 12 G N 1.612 110.401 108.800 -0.017 0.000 2.525 12 G HA2 0.414 4.374 3.960 -0.000 0.000 0.287 12 G HA3 0.414 4.374 3.960 -0.000 0.000 0.287 12 G C -2.533 172.361 174.900 -0.009 0.000 1.350 12 G CA -1.174 43.920 45.100 -0.011 0.000 1.039 12 G HN 0.330 nan 8.290 nan 0.000 0.513 13 P HA 0.218 nan 4.420 nan 0.000 0.269 13 P C -0.541 176.780 177.300 0.036 0.000 1.215 13 P CA 0.176 63.286 63.100 0.017 0.000 0.780 13 P CB 0.775 32.489 31.700 0.022 0.000 0.898 14 I N 1.375 121.983 120.570 0.064 0.000 2.382 14 I HA 0.406 4.576 4.170 -0.000 0.000 0.286 14 I C 0.479 176.680 176.117 0.139 0.000 1.002 14 I CA -0.953 60.401 61.300 0.090 0.000 1.135 14 I CB 1.549 39.612 38.000 0.105 0.000 1.288 14 I HN 0.334 nan 8.210 nan 0.000 0.448 15 A N 6.170 129.069 122.820 0.132 0.000 2.406 15 A HA 0.224 4.544 4.320 -0.000 0.000 0.243 15 A C 1.489 179.217 177.584 0.240 0.000 1.082 15 A CA -0.131 52.007 52.037 0.168 0.000 0.786 15 A CB 0.324 19.395 19.000 0.118 0.000 1.029 15 A HN 0.926 nan 8.150 nan 0.000 0.495 16 R N 0.726 121.408 120.500 0.303 0.000 2.127 16 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 16 R C 1.532 177.984 176.300 0.254 0.000 1.134 16 R CA 1.847 58.179 56.100 0.388 0.000 0.975 16 R CB -0.221 30.256 30.300 0.294 0.000 0.865 16 R HN 0.779 nan 8.270 nan 0.000 0.447 17 A N 0.114 123.021 122.820 0.145 0.000 2.308 17 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 17 A C 0.357 177.977 177.584 0.059 0.000 1.216 17 A CA -0.350 51.730 52.037 0.073 0.000 0.864 17 A CB 0.014 19.038 19.000 0.040 0.000 0.902 17 A HN 0.424 nan 8.150 nan 0.000 0.499 18 E N 1.991 122.242 120.200 0.086 0.000 2.417 18 E HA 0.193 4.543 4.350 -0.000 0.000 0.261 18 E C 0.425 177.052 176.600 0.045 0.000 1.000 18 E CA 0.166 56.602 56.400 0.060 0.000 0.919 18 E CB 0.468 30.211 29.700 0.071 0.000 0.955 18 E HN 0.467 nan 8.360 nan 0.000 0.455 19 T N 2.029 116.592 114.554 0.016 0.000 2.828 19 T HA 0.169 4.519 4.350 -0.000 0.000 0.290 19 T C 1.060 175.760 174.700 -0.001 0.000 1.019 19 T CA -0.460 61.638 62.100 -0.002 0.000 1.031 19 T CB 1.168 70.027 68.868 -0.015 0.000 1.001 19 T HN 0.583 nan 8.240 nan 0.000 0.531 20 R N 0.515 121.010 120.500 -0.010 0.000 2.148 20 R HA -0.066 4.274 4.340 -0.000 0.000 0.227 20 R C 2.354 178.638 176.300 -0.026 0.000 1.103 20 R CA 1.429 57.522 56.100 -0.012 0.000 0.983 20 R CB -0.237 30.055 30.300 -0.014 0.000 0.874 20 R HN 0.742 nan 8.270 nan 0.000 0.451 21 E N 0.775 120.960 120.200 -0.025 0.000 2.077 21 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 21 E C 1.971 178.552 176.600 -0.031 0.000 0.989 21 E CA 1.230 57.613 56.400 -0.028 0.000 0.800 21 E CB 0.036 29.721 29.700 -0.024 0.000 0.746 21 E HN 0.348 nan 8.360 nan 0.000 0.452 22 Q N -0.196 119.589 119.800 -0.025 0.000 2.119 22 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 22 Q C 2.213 178.189 176.000 -0.040 0.000 0.972 22 Q CA 1.158 56.946 55.803 -0.025 0.000 0.847 22 Q CB 0.117 28.848 28.738 -0.011 0.000 0.903 22 Q HN 0.170 nan 8.270 nan 0.000 0.433 23 V N 0.100 119.989 119.914 -0.042 0.000 2.427 23 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 23 V C 2.165 178.186 176.094 -0.122 0.000 1.051 23 V CA 1.201 63.458 62.300 -0.071 0.000 1.048 23 V CB -0.321 31.472 31.823 -0.051 0.000 0.666 23 V HN 0.172 nan 8.190 nan 0.000 0.456 24 V N -0.197 119.656 119.914 -0.102 0.000 2.407 24 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 24 V C 2.431 178.453 176.094 -0.119 0.000 1.055 24 V CA 1.729 63.954 62.300 -0.125 0.000 1.049 24 V CB -0.326 31.451 31.823 -0.075 0.000 0.662 24 V HN 0.418 nan 8.190 nan 0.000 0.455 25 V N -0.091 119.773 119.914 -0.083 0.000 2.343 25 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 25 V C 2.564 178.608 176.094 -0.084 0.000 1.051 25 V CA 2.163 64.423 62.300 -0.067 0.000 1.036 25 V CB -0.745 31.051 31.823 -0.045 0.000 0.654 25 V HN 0.481 nan 8.190 nan 0.000 0.451 26 R N -0.466 119.974 120.500 -0.101 0.000 2.092 26 R HA -0.052 4.288 4.340 -0.000 0.000 0.231 26 R C 2.268 178.465 176.300 -0.172 0.000 1.119 26 R CA 1.264 57.297 56.100 -0.110 0.000 0.970 26 R CB -0.355 29.882 30.300 -0.105 0.000 0.864 26 R HN 0.421 nan 8.270 nan 0.000 0.440 27 L N 0.381 121.433 121.223 -0.284 0.000 2.056 27 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 27 L C 2.311 179.036 176.870 -0.242 0.000 1.078 27 L CA 1.096 55.641 54.840 -0.493 0.000 0.749 27 L CB -0.413 41.213 42.059 -0.722 0.000 0.901 27 L HN 0.201 nan 8.230 nan 0.000 0.433 28 L N -0.215 120.910 121.223 -0.163 0.000 2.046 28 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 28 L C 2.263 179.113 176.870 -0.034 0.000 1.077 28 L CA 1.485 56.277 54.840 -0.080 0.000 0.747 28 L CB -0.513 41.509 42.059 -0.062 0.000 0.896 28 L HN 0.303 nan 8.230 nan 0.000 0.432 29 D N -0.065 120.311 120.400 -0.040 0.000 2.104 29 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 29 D C 2.326 178.633 176.300 0.012 0.000 0.994 29 D CA 1.584 55.576 54.000 -0.014 0.000 0.830 29 D CB 0.043 40.830 40.800 -0.021 0.000 0.959 29 D HN 0.154 nan 8.370 nan 0.000 0.452 30 M N -0.377 119.240 119.600 0.029 0.000 2.132 30 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 30 M C 2.387 178.751 176.300 0.107 0.000 1.065 30 M CA 0.789 56.145 55.300 0.092 0.000 1.122 30 M CB -0.285 32.423 32.600 0.180 0.000 1.365 30 M HN 0.176 nan 8.290 nan 0.000 0.411 31 L N -0.058 121.249 121.223 0.139 0.000 2.046 31 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 31 L C 2.296 179.181 176.870 0.025 0.000 1.077 31 L CA 1.485 56.371 54.840 0.078 0.000 0.747 31 L CB -0.375 41.731 42.059 0.078 0.000 0.896 31 L HN 0.216 nan 8.230 nan 0.000 0.432 32 T N -0.311 114.257 114.554 0.023 0.000 2.777 32 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 32 T C 1.852 176.560 174.700 0.013 0.000 1.040 32 T CA 1.657 63.765 62.100 0.013 0.000 1.141 32 T CB -0.106 68.767 68.868 0.009 0.000 0.868 32 T HN 0.339 nan 8.240 nan 0.000 0.444 33 K N 1.100 121.511 120.400 0.018 0.000 2.057 33 K HA 0.060 4.380 4.320 -0.000 0.000 0.206 33 K C 2.689 179.297 176.600 0.014 0.000 1.050 33 K CA 1.110 57.407 56.287 0.017 0.000 0.935 33 K CB -0.272 32.241 32.500 0.022 0.000 0.715 33 K HN 0.267 nan 8.250 nan 0.000 0.439 34 A N 1.652 124.479 122.820 0.011 0.000 1.877 34 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 34 A C 2.394 179.975 177.584 -0.005 0.000 1.186 34 A CA 1.918 53.954 52.037 -0.002 0.000 0.620 34 A CB -0.723 18.260 19.000 -0.028 0.000 0.822 34 A HN 0.335 nan 8.150 nan 0.000 0.443 35 A N 0.294 123.112 122.820 -0.004 0.000 1.933 35 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 35 A C 2.466 180.052 177.584 0.004 0.000 1.175 35 A CA 2.267 54.303 52.037 -0.001 0.000 0.628 35 A CB -0.972 18.030 19.000 0.002 0.000 0.814 35 A HN 1.077 nan 8.150 nan 0.000 0.444 36 S N -0.492 115.211 115.700 0.006 0.000 2.447 36 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 36 S C 1.536 176.140 174.600 0.007 0.000 1.006 36 S CA 1.070 59.275 58.200 0.007 0.000 0.957 36 S CB -0.302 62.903 63.200 0.009 0.000 0.773 36 S HN 0.591 nan 8.310 nan 0.000 0.507 37 R N 0.384 120.889 120.500 0.007 0.000 2.466 37 R HA 0.349 4.689 4.340 -0.000 0.000 0.279 37 R C 1.391 177.693 176.300 0.004 0.000 0.976 37 R CA 0.364 56.468 56.100 0.007 0.000 1.081 37 R CB 0.141 30.448 30.300 0.011 0.000 1.215 37 R HN 0.564 nan 8.270 nan 0.000 0.546 38 G N 0.360 109.161 108.800 0.002 0.000 2.195 38 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.246 38 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.246 38 G C 0.327 175.225 174.900 -0.004 0.000 0.984 38 G CA -0.042 45.058 45.100 -0.001 0.000 0.633 38 G HN 0.495 nan 8.290 nan 0.000 0.525 39 A N 0.778 123.595 122.820 -0.004 0.000 2.477 39 A HA 0.522 4.842 4.320 -0.000 0.000 0.246 39 A C 1.191 178.777 177.584 0.004 0.000 1.078 39 A CA 0.945 52.980 52.037 -0.003 0.000 0.770 39 A CB 0.167 19.160 19.000 -0.012 0.000 1.011 39 A HN 1.094 nan 8.150 nan 0.000 0.494 40 N N 1.085 119.801 118.700 0.026 0.000 2.200 40 N HA 0.196 4.936 4.740 -0.000 0.000 0.224 40 N C -0.785 174.797 175.510 0.121 0.000 1.179 40 N CA -0.016 53.062 53.050 0.047 0.000 0.877 40 N CB 0.377 38.886 38.487 0.037 0.000 1.072 40 N HN 0.441 nan 8.380 nan 0.000 0.519 41 F N 0.445 120.354 119.950 -0.068 0.000 2.654 41 F HA 0.532 5.059 4.527 -0.000 0.000 0.314 41 F C -2.037 173.695 175.800 -0.113 0.000 1.116 41 F CA -1.040 56.910 58.000 -0.083 0.000 1.017 41 F CB 1.565 40.511 39.000 -0.090 0.000 1.285 41 F HN -0.095 nan 8.300 nan 0.000 0.448 42 I N 6.571 126.687 120.570 -0.757 0.000 2.499 42 I HA 0.602 4.772 4.170 -0.000 0.000 0.288 42 I C -1.553 174.087 176.117 -0.795 0.000 1.048 42 I CA -0.828 60.116 61.300 -0.594 0.000 1.062 42 I CB 1.698 39.335 38.000 -0.606 0.000 1.238 42 I HN 0.366 nan 8.210 nan 0.000 0.426 43 V N 7.974 127.647 119.914 -0.401 0.000 2.465 43 V HA 0.391 4.511 4.120 -0.000 0.000 0.279 43 V C -0.208 175.703 176.094 -0.305 0.000 1.045 43 V CA -0.009 62.152 62.300 -0.232 0.000 0.938 43 V CB 1.056 32.899 31.823 0.033 0.000 0.986 43 V HN 0.493 nan 8.190 nan 0.000 0.467 44 F N 4.554 124.499 119.950 -0.009 0.000 2.541 44 F HA 0.547 5.073 4.527 -0.000 0.000 0.331 44 F C -1.958 173.827 175.800 -0.025 0.000 1.057 44 F CA -2.689 55.289 58.000 -0.036 0.000 0.975 44 F CB 1.976 40.936 39.000 -0.068 0.000 1.246 44 F HN 0.324 nan 8.300 nan 0.000 0.484 45 P HA -0.023 nan 4.420 nan 0.000 0.271 45 P C -1.064 176.283 177.300 0.078 0.000 1.244 45 P CA -0.348 62.777 63.100 0.041 0.000 0.793 45 P CB 0.410 32.089 31.700 -0.034 0.000 0.984 46 E N 1.735 121.972 120.200 0.062 0.000 2.373 46 E HA 0.041 4.391 4.350 -0.000 0.000 0.267 46 E C -0.154 176.521 176.600 0.125 0.000 1.032 46 E CA -0.355 56.106 56.400 0.101 0.000 0.889 46 E CB -0.189 29.596 29.700 0.143 0.000 0.984 46 E HN 0.345 nan 8.360 nan 0.000 0.425 47 L N 2.484 123.783 121.223 0.127 0.000 3.879 47 L HA -0.298 4.042 4.340 -0.000 0.000 0.481 47 L C 0.846 177.819 176.870 0.172 0.000 1.232 47 L CA 0.393 55.337 54.840 0.172 0.000 0.736 47 L CB -1.481 40.689 42.059 0.186 0.000 1.511 47 L HN 0.679 nan 8.230 nan 0.000 0.830 48 A N 0.076 122.982 122.820 0.143 0.000 2.235 48 A HA 0.245 4.565 4.320 -0.000 0.000 0.208 48 A C 1.720 179.330 177.584 0.044 0.000 1.172 48 A CA 0.602 52.681 52.037 0.069 0.000 0.786 48 A CB -0.021 18.995 19.000 0.026 0.000 0.804 48 A HN 0.641 nan 8.150 nan 0.000 0.479 49 L N -0.616 120.676 121.223 0.116 0.000 2.638 49 L HA 0.154 4.494 4.340 -0.000 0.000 0.232 49 L C 1.019 177.973 176.870 0.141 0.000 1.099 49 L CA 0.749 55.645 54.840 0.094 0.000 0.883 49 L CB 0.203 42.327 42.059 0.109 0.000 1.136 49 L HN 0.507 nan 8.230 nan 0.000 0.492 50 T N -5.516 109.168 114.554 0.217 0.000 2.812 50 T HA 0.268 4.618 4.350 -0.000 0.000 0.294 50 T C -0.147 174.740 174.700 0.312 0.000 1.159 50 T CA -0.503 61.784 62.100 0.313 0.000 1.008 50 T CB 2.103 71.272 68.868 0.501 0.000 1.289 50 T HN -0.198 nan 8.240 nan 0.000 0.514 51 T N 0.187 114.969 114.554 0.380 0.000 2.856 51 T HA 0.327 4.677 4.350 -0.000 0.000 0.306 51 T C -0.495 174.349 174.700 0.240 0.000 1.062 51 T CA -0.468 61.813 62.100 0.302 0.000 1.083 51 T CB -0.323 68.785 68.868 0.400 0.000 0.984 51 T HN 0.480 nan 8.240 nan 0.000 0.542 52 F N 6.314 126.222 119.950 -0.070 0.000 2.679 52 F HA 0.222 4.749 4.527 0.000 0.000 0.351 52 F C 0.886 176.421 175.800 -0.442 0.000 1.279 52 F CA -1.578 56.275 58.000 -0.244 0.000 1.227 52 F CB -1.015 37.841 39.000 -0.241 0.000 1.623 52 F HN 0.649 nan 8.300 nan 0.000 0.666 53 F N 2.678 122.296 119.950 -0.555 0.000 2.307 53 F HA 0.047 4.574 4.527 0.000 0.000 0.301 53 F C -1.260 174.332 175.800 -0.347 0.000 1.076 53 F CA -0.073 57.611 58.000 -0.527 0.000 1.383 53 F CB -2.377 36.131 39.000 -0.820 0.000 1.055 53 F HN 0.184 nan 8.300 nan 0.000 0.526 54 P HA -0.155 nan 4.420 nan 0.000 0.231 54 P C 0.884 178.043 177.300 -0.235 0.000 1.158 54 P CA 1.387 64.183 63.100 -0.506 0.000 0.763 54 P CB -0.286 30.803 31.700 -1.019 0.000 0.805 55 R N -2.420 117.862 120.500 -0.364 0.000 2.276 55 R HA -0.010 4.330 4.340 -0.000 0.000 0.203 55 R C 0.305 176.509 176.300 -0.160 0.000 1.017 55 R CA 0.419 56.381 56.100 -0.230 0.000 1.010 55 R CB -0.252 29.790 30.300 -0.430 0.000 0.900 55 R HN 0.121 nan 8.270 nan 0.000 0.469 56 W N 0.896 122.315 121.300 0.199 0.000 2.639 56 W HA 0.305 4.965 4.660 -0.000 0.000 0.347 56 W C -0.231 176.424 176.519 0.227 0.000 1.067 56 W CA -1.293 56.112 57.345 0.100 0.000 1.218 56 W CB 0.602 29.914 29.460 -0.246 0.000 1.393 56 W HN 0.001 nan 8.180 nan 0.000 0.557 57 H N 2.283 121.564 119.070 0.352 0.000 2.705 57 H HA 0.249 4.805 4.556 -0.000 0.000 0.291 57 H C -1.181 174.247 175.328 0.166 0.000 1.085 57 H CA -0.176 56.083 56.048 0.351 0.000 1.357 57 H CB 0.104 30.032 29.762 0.277 0.000 1.419 57 H HN 0.091 nan 8.280 nan 0.000 0.462 58 F N 2.447 122.391 119.950 -0.009 0.000 2.375 58 F HA 0.101 4.628 4.527 -0.000 0.000 0.333 58 F C 1.720 177.431 175.800 -0.148 0.000 1.104 58 F CA 0.105 58.069 58.000 -0.061 0.000 1.149 58 F CB 1.840 40.756 39.000 -0.140 0.000 1.190 58 F HN 0.572 nan 8.300 nan 0.000 0.533 59 T N -3.547 111.084 114.554 0.129 0.000 3.016 59 T HA 0.126 4.476 4.350 -0.000 0.000 0.271 59 T C -0.308 174.437 174.700 0.075 0.000 0.968 59 T CA -0.210 61.943 62.100 0.087 0.000 0.891 59 T CB 0.077 68.998 68.868 0.089 0.000 1.149 59 T HN 0.495 nan 8.240 nan 0.000 0.524 60 D N 1.193 121.658 120.400 0.108 0.000 2.481 60 D HA 0.230 4.870 4.640 -0.000 0.000 0.246 60 D C 0.510 176.834 176.300 0.039 0.000 1.109 60 D CA -0.252 53.787 54.000 0.064 0.000 0.845 60 D CB 2.396 43.233 40.800 0.061 0.000 1.160 60 D HN 0.234 nan 8.370 nan 0.000 0.534 61 E N 2.681 122.864 120.200 -0.028 0.000 2.150 61 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 61 E C 1.654 178.178 176.600 -0.127 0.000 0.985 61 E CA 1.030 57.368 56.400 -0.103 0.000 0.814 61 E CB 0.257 29.895 29.700 -0.104 0.000 0.752 61 E HN 0.568 nan 8.360 nan 0.000 0.466 62 A N 1.114 123.887 122.820 -0.079 0.000 1.898 62 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 62 A C 1.892 179.425 177.584 -0.085 0.000 1.181 62 A CA 1.483 53.468 52.037 -0.087 0.000 0.620 62 A CB -0.396 18.566 19.000 -0.063 0.000 0.819 62 A HN 0.287 nan 8.150 nan 0.000 0.442 63 E N -0.668 119.523 120.200 -0.015 0.000 2.072 63 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 63 E C 1.973 178.604 176.600 0.052 0.000 0.985 63 E CA 1.172 57.612 56.400 0.067 0.000 0.801 63 E CB -0.300 29.542 29.700 0.237 0.000 0.750 63 E HN 0.496 nan 8.360 nan 0.000 0.452 64 L N 2.070 123.196 121.223 -0.161 0.000 1.994 64 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 64 L C 1.542 178.234 176.870 -0.297 0.000 1.071 64 L CA 2.014 56.473 54.840 -0.635 0.000 0.745 64 L CB -0.503 41.056 42.059 -0.834 0.000 0.892 64 L HN -0.063 nan 8.230 nan 0.000 0.431 65 D N -0.515 119.710 120.400 -0.291 0.000 2.190 65 D HA -0.197 4.443 4.640 -0.000 0.000 0.200 65 D C 2.412 178.651 176.300 -0.102 0.000 0.992 65 D CA 1.497 55.346 54.000 -0.252 0.000 0.854 65 D CB -0.312 40.346 40.800 -0.236 0.000 0.936 65 D HN 0.622 nan 8.370 nan 0.000 0.462 66 S N -0.473 115.113 115.700 -0.190 0.000 2.440 66 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 66 S C 1.702 176.068 174.600 -0.389 0.000 1.010 66 S CA 0.527 58.545 58.200 -0.305 0.000 0.972 66 S CB -0.723 62.212 63.200 -0.441 0.000 0.774 66 S HN 0.225 nan 8.310 nan 0.000 0.501 67 F N 0.279 120.101 119.950 -0.213 0.000 2.797 67 F HA 0.391 4.918 4.527 -0.000 0.000 0.302 67 F C 0.423 176.069 175.800 -0.255 0.000 1.130 67 F CA -0.595 57.188 58.000 -0.362 0.000 1.387 67 F CB -0.137 38.216 39.000 -1.079 0.000 1.107 67 F HN 0.121 nan 8.300 nan 0.000 0.577 68 Y N 0.425 120.682 120.300 -0.072 0.000 2.403 68 Y HA 0.405 4.955 4.550 0.000 0.000 0.323 68 Y C 0.468 176.415 175.900 0.079 0.000 1.226 68 Y CA -1.687 56.456 58.100 0.071 0.000 1.235 68 Y CB 0.538 39.024 38.460 0.043 0.000 1.248 68 Y HN -0.195 nan 8.280 nan 0.000 0.489 69 E N 0.221 120.612 120.200 0.319 0.000 2.175 69 E HA 0.209 4.559 4.350 -0.000 0.000 0.278 69 E C 0.369 177.075 176.600 0.176 0.000 0.969 69 E CA -0.147 56.358 56.400 0.176 0.000 0.796 69 E CB 1.407 31.152 29.700 0.076 0.000 1.104 69 E HN 0.761 nan 8.360 nan 0.000 0.395 70 T N -1.021 113.583 114.554 0.084 0.000 3.044 70 T HA 0.084 4.434 4.350 -0.000 0.000 0.250 70 T C 0.429 175.153 174.700 0.040 0.000 1.081 70 T CA 0.018 62.157 62.100 0.065 0.000 1.040 70 T CB 0.178 69.060 68.868 0.024 0.000 0.962 70 T HN 0.532 nan 8.240 nan 0.000 0.506 71 E N 0.144 120.347 120.200 0.004 0.000 2.392 71 E HA 0.615 4.965 4.350 -0.000 0.000 0.279 71 E C -1.634 174.908 176.600 -0.096 0.000 0.964 71 E CA -1.316 55.065 56.400 -0.032 0.000 0.777 71 E CB 1.712 31.382 29.700 -0.050 0.000 1.249 71 E HN 0.060 nan 8.360 nan 0.000 0.449 72 M N 2.842 122.371 119.600 -0.118 0.000 2.122 72 M HA 0.401 4.881 4.480 -0.000 0.000 0.269 72 M C -2.937 173.209 176.300 -0.256 0.000 0.954 72 M CA -1.852 53.334 55.300 -0.191 0.000 0.998 72 M CB 1.778 34.266 32.600 -0.186 0.000 1.755 72 M HN 0.515 nan 8.290 nan 0.000 0.459 73 P HA 0.687 nan 4.420 nan 0.000 0.287 73 P C -0.278 176.874 177.300 -0.247 0.000 1.279 73 P CA -0.361 62.507 63.100 -0.387 0.000 0.867 73 P CB 1.646 32.931 31.700 -0.692 0.000 1.127 74 G N 0.702 109.410 108.800 -0.155 0.000 2.532 74 G HA2 0.365 4.325 3.960 -0.000 0.000 0.291 74 G HA3 0.365 4.325 3.960 -0.000 0.000 0.291 74 G C -1.836 173.007 174.900 -0.095 0.000 1.349 74 G CA -1.290 43.746 45.100 -0.108 0.000 1.038 74 G HN 0.230 nan 8.290 nan 0.000 0.518 75 P HA -0.074 nan 4.420 nan 0.000 0.216 75 P C 2.030 179.307 177.300 -0.039 0.000 1.150 75 P CA 0.587 63.655 63.100 -0.053 0.000 0.837 75 P CB 0.111 31.785 31.700 -0.043 0.000 0.786 76 V N -0.735 119.157 119.914 -0.037 0.000 2.358 76 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 76 V C 2.298 178.384 176.094 -0.012 0.000 1.047 76 V CA 1.715 63.999 62.300 -0.026 0.000 1.035 76 V CB -1.053 30.753 31.823 -0.030 0.000 0.658 76 V HN -0.023 nan 8.190 nan 0.000 0.452 77 V N -0.152 119.758 119.914 -0.006 0.000 2.951 77 V HA -0.073 4.047 4.120 -0.000 0.000 0.255 77 V C 2.453 178.629 176.094 0.138 0.000 1.088 77 V CA 1.371 63.703 62.300 0.054 0.000 1.109 77 V CB -0.755 31.113 31.823 0.074 0.000 0.724 77 V HN 0.488 nan 8.190 nan 0.000 0.471 78 R N 1.071 121.589 120.500 0.031 0.000 2.133 78 R HA -0.216 4.124 4.340 -0.000 0.000 0.247 78 R C -0.300 176.093 176.300 0.154 0.000 1.151 78 R CA 2.189 58.307 56.100 0.029 0.000 0.971 78 R CB -1.279 28.987 30.300 -0.058 0.000 0.866 78 R HN 0.394 nan 8.270 nan 0.000 0.447 79 P HA -0.168 nan 4.420 nan 0.000 0.217 79 P C 1.131 178.495 177.300 0.107 0.000 1.148 79 P CA 0.920 64.068 63.100 0.080 0.000 0.828 79 P CB -0.052 31.666 31.700 0.031 0.000 0.783 80 L N -1.867 119.430 121.223 0.123 0.000 2.056 80 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 80 L C 2.026 178.981 176.870 0.141 0.000 1.078 80 L CA 1.853 56.705 54.840 0.020 0.000 0.749 80 L CB -1.245 40.717 42.059 -0.162 0.000 0.901 80 L HN -0.151 nan 8.230 nan 0.000 0.433 81 F N 0.401 120.444 119.950 0.155 0.000 2.134 81 F HA -0.164 4.363 4.527 0.000 0.000 0.299 81 F C 2.456 178.338 175.800 0.138 0.000 1.097 81 F CA 1.660 59.805 58.000 0.242 0.000 1.264 81 F CB -0.702 38.395 39.000 0.162 0.000 1.001 81 F HN 0.188 nan 8.300 nan 0.000 0.479 82 E N -0.117 120.250 120.200 0.279 0.000 2.110 82 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 82 E C 2.017 178.685 176.600 0.113 0.000 0.988 82 E CA 1.288 57.782 56.400 0.156 0.000 0.804 82 E CB -0.198 29.565 29.700 0.104 0.000 0.745 82 E HN 0.115 nan 8.360 nan 0.000 0.458 83 K N 1.241 121.702 120.400 0.102 0.000 2.155 83 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 83 K C 1.837 178.481 176.600 0.072 0.000 1.052 83 K CA 1.191 57.517 56.287 0.065 0.000 0.948 83 K CB -0.299 32.223 32.500 0.037 0.000 0.728 83 K HN 0.096 nan 8.250 nan 0.000 0.448 84 A N 0.516 123.403 122.820 0.112 0.000 1.902 84 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 84 A C 2.361 179.993 177.584 0.080 0.000 1.181 84 A CA 1.973 54.082 52.037 0.121 0.000 0.623 84 A CB -1.008 18.137 19.000 0.243 0.000 0.818 84 A HN 0.390 nan 8.150 nan 0.000 0.443 85 A N -0.507 122.368 122.820 0.090 0.000 1.898 85 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 85 A C 2.049 179.663 177.584 0.050 0.000 1.181 85 A CA 1.704 53.781 52.037 0.066 0.000 0.620 85 A CB -0.505 18.543 19.000 0.080 0.000 0.819 85 A HN 0.668 nan 8.150 nan 0.000 0.442 86 E N -0.040 120.191 120.200 0.052 0.000 2.031 86 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 86 E C 1.689 178.307 176.600 0.030 0.000 0.994 86 E CA 1.257 57.679 56.400 0.038 0.000 0.800 86 E CB -0.183 29.538 29.700 0.036 0.000 0.752 86 E HN 0.609 nan 8.360 nan 0.000 0.447 87 L N -0.357 120.884 121.223 0.031 0.000 2.554 87 L HA 0.162 4.502 4.340 -0.000 0.000 0.226 87 L C 1.127 178.010 176.870 0.021 0.000 1.137 87 L CA 0.353 55.206 54.840 0.023 0.000 0.863 87 L CB -0.021 42.050 42.059 0.020 0.000 0.985 87 L HN 0.389 nan 8.230 nan 0.000 0.451 88 G N 2.075 110.890 108.800 0.026 0.000 2.324 88 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.292 88 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.292 88 G C -0.281 174.633 174.900 0.022 0.000 1.079 88 G CA 0.331 45.445 45.100 0.023 0.000 1.026 88 G HN 0.374 nan 8.290 nan 0.000 0.506 89 I N 0.653 121.235 120.570 0.020 0.000 2.529 89 I HA 0.629 4.799 4.170 -0.000 0.000 0.284 89 I C 0.660 176.760 176.117 -0.028 0.000 1.088 89 I CA -0.361 60.940 61.300 0.001 0.000 1.062 89 I CB 0.926 38.914 38.000 -0.019 0.000 1.218 89 I HN 0.289 nan 8.210 nan 0.000 0.442 90 G N 5.591 114.362 108.800 -0.047 0.000 2.621 90 G HA2 0.545 4.505 3.960 -0.000 0.000 0.271 90 G HA3 0.545 4.505 3.960 -0.000 0.000 0.271 90 G C -0.983 173.485 174.900 -0.721 0.000 1.236 90 G CA -0.275 44.701 45.100 -0.207 0.000 0.958 90 G HN 0.716 nan 8.290 nan 0.000 0.512 91 F N -2.319 117.073 119.950 -0.931 0.000 2.741 91 F HA 0.571 5.098 4.527 -0.000 0.000 0.313 91 F C -1.252 174.205 175.800 -0.571 0.000 1.153 91 F CA -1.752 55.537 58.000 -1.185 0.000 0.931 91 F CB 1.715 40.302 39.000 -0.688 0.000 1.335 91 F HN 0.425 nan 8.300 nan 0.000 0.460 92 N N 2.064 120.715 118.700 -0.082 0.000 2.479 92 N HA 0.481 5.221 4.740 -0.000 0.000 0.261 92 N C -2.228 173.465 175.510 0.305 0.000 0.979 92 N CA -0.292 52.868 53.050 0.182 0.000 0.930 92 N CB 1.663 40.273 38.487 0.204 0.000 1.172 92 N HN 0.882 nan 8.380 nan 0.000 0.499 93 L N 2.918 124.389 121.223 0.413 0.000 2.333 93 L HA 0.786 5.126 4.340 -0.000 0.000 0.280 93 L C 0.234 177.327 176.870 0.371 0.000 1.004 93 L CA -0.469 54.633 54.840 0.437 0.000 0.820 93 L CB 1.594 43.956 42.059 0.504 0.000 1.247 93 L HN 0.564 nan 8.230 nan 0.000 0.416 94 G N 3.608 112.580 108.800 0.287 0.000 2.389 94 G HA2 0.584 4.544 3.960 -0.000 0.000 0.317 94 G HA3 0.584 4.544 3.960 -0.000 0.000 0.317 94 G C -1.681 173.396 174.900 0.295 0.000 1.137 94 G CA -0.194 45.022 45.100 0.192 0.000 0.870 94 G HN 0.837 nan 8.290 nan 0.000 0.496 95 Y N -1.712 118.646 120.300 0.097 0.000 2.741 95 Y HA 0.695 5.245 4.550 -0.000 0.000 0.339 95 Y C -0.422 175.534 175.900 0.094 0.000 1.226 95 Y CA -1.678 56.487 58.100 0.109 0.000 1.072 95 Y CB 0.812 39.348 38.460 0.127 0.000 1.331 95 Y HN 0.868 nan 8.280 nan 0.000 0.453 96 A N 1.617 124.598 122.820 0.269 0.000 2.276 96 A HA 0.471 4.791 4.320 -0.000 0.000 0.300 96 A C -0.457 177.366 177.584 0.398 0.000 1.235 96 A CA -0.391 51.744 52.037 0.164 0.000 0.867 96 A CB 0.315 19.238 19.000 -0.127 0.000 1.137 96 A HN 0.696 nan 8.150 nan 0.000 0.527 97 E N 2.744 123.185 120.200 0.401 0.000 2.134 97 E HA 0.459 4.809 4.350 -0.000 0.000 0.278 97 E C -1.628 175.303 176.600 0.552 0.000 0.959 97 E CA -0.631 56.075 56.400 0.510 0.000 0.783 97 E CB 0.936 30.846 29.700 0.350 0.000 1.095 97 E HN 0.538 nan 8.360 nan 0.000 0.399 98 L N 6.049 127.529 121.223 0.428 0.000 2.298 98 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 98 L C -1.620 175.334 176.870 0.140 0.000 1.013 98 L CA -0.673 54.287 54.840 0.199 0.000 0.824 98 L CB 1.511 43.596 42.059 0.044 0.000 1.221 98 L HN 0.361 nan 8.230 nan 0.000 0.418 99 V N 5.371 125.350 119.914 0.109 0.000 2.555 99 V HA 0.561 4.681 4.120 -0.000 0.000 0.302 99 V C -0.459 175.655 176.094 0.034 0.000 1.038 99 V CA -0.818 61.542 62.300 0.099 0.000 0.887 99 V CB 1.943 33.868 31.823 0.170 0.000 0.991 99 V HN 0.438 nan 8.190 nan 0.000 0.434 100 V N 4.028 123.955 119.914 0.022 0.000 2.313 100 V HA 0.399 4.519 4.120 -0.000 0.000 0.278 100 V C -0.101 175.998 176.094 0.009 0.000 1.017 100 V CA -0.498 61.801 62.300 -0.003 0.000 0.823 100 V CB 1.078 32.892 31.823 -0.016 0.000 1.010 100 V HN 0.952 nan 8.190 nan 0.000 0.443 101 E N 3.518 123.723 120.200 0.008 0.000 2.092 101 E HA 0.490 4.840 4.350 -0.000 0.000 0.271 101 E C 0.917 177.519 176.600 0.002 0.000 0.919 101 E CA -0.397 56.011 56.400 0.013 0.000 0.760 101 E CB 1.675 31.391 29.700 0.027 0.000 1.106 101 E HN 0.916 nan 8.360 nan 0.000 0.408 102 G N 2.885 111.686 108.800 0.001 0.000 2.390 102 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.299 102 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.299 102 G C 0.929 175.824 174.900 -0.009 0.000 1.002 102 G CA 0.699 45.797 45.100 -0.003 0.000 0.979 102 G HN 1.132 nan 8.290 nan 0.000 0.513 103 G N -3.366 105.426 108.800 -0.013 0.000 2.162 103 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.260 103 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.260 103 G C 0.304 175.188 174.900 -0.027 0.000 0.976 103 G CA 0.562 45.650 45.100 -0.020 0.000 0.655 103 G HN 1.687 nan 8.290 nan 0.000 0.533 104 V N 0.910 120.810 119.914 -0.025 0.000 2.417 104 V HA 0.468 4.588 4.120 -0.000 0.000 0.291 104 V C 0.463 176.531 176.094 -0.043 0.000 1.024 104 V CA -0.951 61.329 62.300 -0.033 0.000 0.861 104 V CB 1.744 33.552 31.823 -0.024 0.000 0.985 104 V HN 0.290 nan 8.190 nan 0.000 0.436 105 K N 4.782 125.141 120.400 -0.068 0.000 2.205 105 K HA 0.595 4.915 4.320 -0.000 0.000 0.279 105 K C -0.442 176.089 176.600 -0.115 0.000 1.027 105 K CA -0.520 55.710 56.287 -0.095 0.000 0.932 105 K CB 1.132 33.550 32.500 -0.137 0.000 1.032 105 K HN 0.548 nan 8.250 nan 0.000 0.466 106 R N 2.897 123.326 120.500 -0.118 0.000 2.513 106 R HA 0.366 4.706 4.340 -0.000 0.000 0.301 106 R C -0.580 175.561 176.300 -0.266 0.000 0.968 106 R CA -0.866 55.106 56.100 -0.214 0.000 0.872 106 R CB 2.020 32.249 30.300 -0.118 0.000 1.177 106 R HN 0.485 nan 8.270 nan 0.000 0.444 107 R N 2.716 122.981 120.500 -0.391 0.000 2.494 107 R HA 0.509 4.849 4.340 -0.000 0.000 0.305 107 R C -0.986 175.198 176.300 -0.193 0.000 0.959 107 R CA -0.452 55.588 56.100 -0.100 0.000 0.864 107 R CB 1.422 31.751 30.300 0.048 0.000 1.159 107 R HN 0.379 nan 8.270 nan 0.000 0.446 108 F N 0.448 120.638 119.950 0.400 0.000 2.599 108 F HA 0.305 4.832 4.527 -0.000 0.000 0.311 108 F C 0.226 175.936 175.800 -0.150 0.000 1.076 108 F CA -1.132 56.952 58.000 0.139 0.000 0.937 108 F CB 1.873 40.851 39.000 -0.037 0.000 1.282 108 F HN 0.341 nan 8.300 nan 0.000 0.460 109 N N 1.614 120.028 118.700 -0.476 0.000 2.462 109 N HA 0.303 5.043 4.740 -0.000 0.000 0.242 109 N C -1.188 174.064 175.510 -0.430 0.000 1.010 109 N CA 0.183 52.693 53.050 -0.900 0.000 0.939 109 N CB 0.955 38.743 38.487 -1.166 0.000 1.127 109 N HN 0.636 nan 8.380 nan 0.000 0.509 110 T N 1.046 115.341 114.554 -0.431 0.000 2.932 110 T HA 0.617 4.967 4.350 -0.000 0.000 0.289 110 T C -0.487 173.962 174.700 -0.418 0.000 1.039 110 T CA -0.687 61.129 62.100 -0.473 0.000 1.024 110 T CB 1.259 69.751 68.868 -0.626 0.000 1.090 110 T HN 0.537 nan 8.240 nan 0.000 0.496 111 S N 0.920 116.500 115.700 -0.200 0.000 2.540 111 S HA 0.802 5.272 4.470 -0.000 0.000 0.275 111 S C -0.850 173.801 174.600 0.086 0.000 1.123 111 S CA -1.010 57.192 58.200 0.003 0.000 0.907 111 S CB 0.841 64.091 63.200 0.084 0.000 1.081 111 S HN 0.863 nan 8.310 nan 0.000 0.476 112 I N -0.406 120.271 120.570 0.178 0.000 2.892 112 I HA 0.702 4.872 4.170 -0.000 0.000 0.306 112 I C -1.477 174.677 176.117 0.061 0.000 1.078 112 I CA -1.583 59.792 61.300 0.126 0.000 1.032 112 I CB 1.763 39.895 38.000 0.221 0.000 1.229 112 I HN 0.587 nan 8.210 nan 0.000 0.435 113 L N 4.723 125.918 121.223 -0.047 0.000 2.313 113 L HA 0.655 4.995 4.340 -0.000 0.000 0.283 113 L C -0.759 176.007 176.870 -0.174 0.000 1.013 113 L CA -0.959 53.855 54.840 -0.043 0.000 0.816 113 L CB 1.928 43.961 42.059 -0.044 0.000 1.236 113 L HN 0.409 nan 8.230 nan 0.000 0.419 114 V N 1.552 121.255 119.914 -0.351 0.000 2.495 114 V HA 0.287 4.407 4.120 -0.000 0.000 0.298 114 V C -0.445 175.480 176.094 -0.281 0.000 1.031 114 V CA -0.876 61.122 62.300 -0.504 0.000 0.871 114 V CB 1.967 33.010 31.823 -1.301 0.000 0.988 114 V HN 0.804 nan 8.190 nan 0.000 0.432 115 D N 3.621 123.941 120.400 -0.133 0.000 2.433 115 D HA 0.132 4.772 4.640 -0.000 0.000 0.255 115 D C 0.977 177.256 176.300 -0.035 0.000 1.226 115 D CA -0.783 53.203 54.000 -0.023 0.000 1.015 115 D CB 0.616 41.411 40.800 -0.009 0.000 1.091 115 D HN 0.603 nan 8.370 nan 0.000 0.527 116 K N -0.881 119.530 120.400 0.019 0.000 2.574 116 K HA -0.008 4.312 4.320 -0.000 0.000 0.193 116 K C 0.450 177.059 176.600 0.015 0.000 1.035 116 K CA 0.442 56.740 56.287 0.018 0.000 0.982 116 K CB -0.228 32.292 32.500 0.034 0.000 0.795 116 K HN 0.143 nan 8.250 nan 0.000 0.491 117 S N 0.242 115.947 115.700 0.009 0.000 2.539 117 S HA 0.203 4.673 4.470 -0.000 0.000 0.221 117 S C 0.899 175.522 174.600 0.038 0.000 0.987 117 S CA 0.094 58.308 58.200 0.023 0.000 0.929 117 S CB 0.891 64.103 63.200 0.019 0.000 0.832 117 S HN 0.684 nan 8.310 nan 0.000 0.492 118 G N 2.331 111.143 108.800 0.019 0.000 2.147 118 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 118 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 118 G C -0.254 174.722 174.900 0.125 0.000 1.005 118 G CA -0.012 45.129 45.100 0.069 0.000 0.713 118 G HN 0.457 nan 8.290 nan 0.000 0.515 119 K N -0.147 120.275 120.400 0.037 0.000 2.182 119 K HA 0.582 4.902 4.320 -0.000 0.000 0.262 119 K C 0.529 177.131 176.600 0.004 0.000 0.957 119 K CA -0.986 55.332 56.287 0.051 0.000 0.842 119 K CB 1.806 34.320 32.500 0.023 0.000 1.099 119 K HN 0.205 nan 8.250 nan 0.000 0.438 120 I N 3.291 123.891 120.570 0.050 0.000 2.505 120 I HA -0.077 4.093 4.170 -0.000 0.000 0.287 120 I C 1.161 177.239 176.117 -0.065 0.000 1.104 120 I CA -0.049 61.251 61.300 0.001 0.000 1.387 120 I CB 0.479 38.518 38.000 0.067 0.000 1.404 120 I HN 0.471 nan 8.210 nan 0.000 0.528 121 V N 2.727 122.560 119.914 -0.136 0.000 3.319 121 V HA 0.661 4.781 4.120 -0.000 0.000 0.317 121 V C 0.484 176.317 176.094 -0.435 0.000 1.411 121 V CA 0.055 62.253 62.300 -0.171 0.000 1.112 121 V CB -0.130 31.634 31.823 -0.099 0.000 1.031 121 V HN 0.865 nan 8.190 nan 0.000 0.448 122 G N 0.069 108.512 108.800 -0.595 0.000 2.404 122 G HA2 0.479 4.439 3.960 -0.000 0.000 0.298 122 G HA3 0.479 4.439 3.960 -0.000 0.000 0.298 122 G C -1.864 172.662 174.900 -0.624 0.000 1.577 122 G CA -0.679 43.608 45.100 -1.356 0.000 0.847 122 G HN 0.321 nan 8.290 nan 0.000 0.598 123 K N -0.263 119.933 120.400 -0.340 0.000 2.477 123 K HA 0.750 5.070 4.320 -0.000 0.000 0.255 123 K C -2.038 174.669 176.600 0.179 0.000 0.952 123 K CA -1.054 55.223 56.287 -0.018 0.000 0.826 123 K CB 2.593 35.083 32.500 -0.016 0.000 1.331 123 K HN 0.667 nan 8.250 nan 0.000 0.437 124 Y N 1.678 121.967 120.300 -0.018 0.000 2.534 124 Y HA 0.501 5.051 4.550 0.000 0.000 0.345 124 Y C -1.649 174.170 175.900 -0.135 0.000 1.031 124 Y CA -0.795 57.283 58.100 -0.038 0.000 1.022 124 Y CB 1.865 40.341 38.460 0.026 0.000 1.292 124 Y HN 0.586 nan 8.280 nan 0.000 0.459 125 R N 4.155 123.926 120.500 -1.215 0.000 2.476 125 R HA 0.318 4.658 4.340 -0.000 0.000 0.305 125 R C -1.084 174.494 176.300 -1.204 0.000 0.965 125 R CA -1.182 54.340 56.100 -0.964 0.000 0.867 125 R CB 1.827 31.661 30.300 -0.777 0.000 1.176 125 R HN 0.634 nan 8.270 nan 0.000 0.447 126 K N 3.197 123.189 120.400 -0.679 0.000 2.441 126 K HA -0.099 4.221 4.320 -0.000 0.000 0.273 126 K C 0.534 177.027 176.600 -0.178 0.000 1.090 126 K CA 0.464 56.598 56.287 -0.254 0.000 1.158 126 K CB 0.370 32.823 32.500 -0.078 0.000 0.847 126 K HN 0.598 nan 8.250 nan 0.000 0.483 127 I N 2.968 123.491 120.570 -0.079 0.000 2.731 127 I HA -0.085 4.085 4.170 -0.000 0.000 0.260 127 I C 0.168 176.134 176.117 -0.252 0.000 1.138 127 I CA 0.204 61.373 61.300 -0.219 0.000 1.461 127 I CB 0.059 37.829 38.000 -0.382 0.000 1.128 127 I HN 0.598 nan 8.210 nan 0.000 0.438 128 H N 2.120 121.235 119.070 0.075 0.000 2.741 128 H HA 0.426 4.982 4.556 0.000 0.000 0.282 128 H C -0.667 174.729 175.328 0.113 0.000 1.122 128 H CA -0.240 55.792 56.048 -0.027 0.000 1.293 128 H CB 0.387 30.039 29.762 -0.184 0.000 1.415 128 H HN 0.050 nan 8.280 nan 0.000 0.472 129 L N 6.378 127.708 121.223 0.178 0.000 2.257 129 L HA 0.359 4.699 4.340 -0.000 0.000 0.290 129 L C -1.955 175.064 176.870 0.248 0.000 1.044 129 L CA -1.923 53.050 54.840 0.221 0.000 0.810 129 L CB 0.985 43.151 42.059 0.180 0.000 1.193 129 L HN 0.474 nan 8.230 nan 0.000 0.425 130 P HA 0.490 nan 4.420 nan 0.000 0.306 130 P C 0.229 177.693 177.300 0.273 0.000 1.309 130 P CA 0.122 63.376 63.100 0.256 0.000 0.759 130 P CB 1.429 33.243 31.700 0.190 0.000 1.314 131 G N -0.512 108.404 108.800 0.194 0.000 2.527 131 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.227 131 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.227 131 G C -0.705 174.348 174.900 0.255 0.000 1.291 131 G CA 0.243 45.507 45.100 0.273 0.000 0.904 131 G HN 1.110 nan 8.290 nan 0.000 0.577 132 H N -1.892 117.249 119.070 0.119 0.000 2.869 132 H HA 0.884 5.440 4.556 -0.000 0.000 0.342 132 H C 0.869 176.227 175.328 0.049 0.000 1.250 132 H CA -0.643 55.450 56.048 0.075 0.000 1.217 132 H CB 1.587 31.383 29.762 0.057 0.000 1.917 132 H HN 0.413 nan 8.280 nan 0.000 0.586 133 K N -0.275 120.174 120.400 0.081 0.000 2.262 133 K HA 0.184 4.504 4.320 -0.000 0.000 0.200 133 K C -0.214 176.420 176.600 0.057 0.000 1.058 133 K CA 0.596 56.887 56.287 0.008 0.000 0.974 133 K CB 0.473 33.001 32.500 0.048 0.000 0.910 133 K HN 0.711 nan 8.250 nan 0.000 0.484 134 E N -0.010 120.310 120.200 0.199 0.000 2.222 134 E HA 0.104 4.454 4.350 -0.000 0.000 0.267 134 E C -1.029 175.805 176.600 0.389 0.000 0.963 134 E CA -0.895 55.658 56.400 0.255 0.000 0.837 134 E CB 1.111 30.931 29.700 0.200 0.000 1.183 134 E HN -0.054 nan 8.360 nan 0.000 0.403 135 Y N 1.741 122.199 120.300 0.264 0.000 2.712 135 Y HA -0.081 4.469 4.550 0.000 0.000 0.333 135 Y C -0.335 175.639 175.900 0.124 0.000 1.225 135 Y CA 0.591 58.824 58.100 0.221 0.000 1.499 135 Y CB 0.445 38.881 38.460 -0.041 0.000 1.288 135 Y HN 0.365 nan 8.280 nan 0.000 0.575 136 E N 5.562 125.363 120.200 -0.665 0.000 2.267 136 E HA 0.387 4.737 4.350 -0.000 0.000 0.248 136 E C 0.303 176.384 176.600 -0.865 0.000 0.899 136 E CA -0.137 55.918 56.400 -0.576 0.000 0.764 136 E CB 1.426 30.862 29.700 -0.441 0.000 1.227 136 E HN 0.886 nan 8.360 nan 0.000 0.421 137 A N 3.121 125.521 122.820 -0.698 0.000 1.958 137 A HA -0.276 4.044 4.320 -0.000 0.000 0.221 137 A C 1.935 179.421 177.584 -0.162 0.000 1.178 137 A CA 1.860 53.685 52.037 -0.353 0.000 0.642 137 A CB -0.830 18.187 19.000 0.028 0.000 0.816 137 A HN 0.792 nan 8.150 nan 0.000 0.453 138 Y N 0.138 120.324 120.300 -0.190 0.000 2.352 138 Y HA 0.066 4.616 4.550 -0.000 0.000 0.292 138 Y C 0.890 176.713 175.900 -0.128 0.000 1.136 138 Y CA 0.351 58.377 58.100 -0.123 0.000 1.227 138 Y CB -0.484 37.907 38.460 -0.114 0.000 0.991 138 Y HN 0.172 nan 8.280 nan 0.000 0.545 139 R N 3.438 123.304 120.500 -1.056 0.000 2.449 139 R HA 0.058 4.398 4.340 -0.000 0.000 0.296 139 R C -1.550 174.515 176.300 -0.391 0.000 1.047 139 R CA -0.832 54.732 56.100 -0.893 0.000 1.018 139 R CB -0.028 29.695 30.300 -0.961 0.000 0.962 139 R HN 0.246 nan 8.270 nan 0.000 0.428 140 P HA -0.156 nan 4.420 nan 0.000 0.220 140 P C -0.293 177.089 177.300 0.137 0.000 1.148 140 P CA 1.366 64.462 63.100 -0.006 0.000 0.803 140 P CB 0.072 31.835 31.700 0.105 0.000 0.782 141 F N -2.566 117.402 119.950 0.031 0.000 2.608 141 F HA 0.569 5.096 4.527 -0.000 0.000 0.309 141 F C -0.307 175.526 175.800 0.055 0.000 1.103 141 F CA -1.476 56.556 58.000 0.054 0.000 0.954 141 F CB 0.573 39.601 39.000 0.047 0.000 1.267 141 F HN -0.361 nan 8.300 nan 0.000 0.444 142 Q N 0.952 120.907 119.800 0.258 0.000 2.222 142 Q HA 0.292 4.632 4.340 -0.000 0.000 0.211 142 Q C -1.140 175.102 176.000 0.403 0.000 1.013 142 Q CA -0.518 55.469 55.803 0.308 0.000 0.993 142 Q CB 1.218 30.158 28.738 0.337 0.000 1.151 142 Q HN 0.994 nan 8.270 nan 0.000 0.544 143 H N -0.308 118.929 119.070 0.277 0.000 2.643 143 H HA 0.296 4.852 4.556 -0.000 0.000 0.229 143 H C -0.895 174.305 175.328 -0.214 0.000 1.410 143 H CA 0.020 56.158 56.048 0.151 0.000 1.458 143 H CB -0.519 29.404 29.762 0.268 0.000 1.792 143 H HN 0.333 nan 8.280 nan 0.000 0.563 144 L N 2.676 123.674 121.223 -0.374 0.000 2.968 144 L HA 0.193 4.533 4.340 -0.000 0.000 0.235 144 L C 1.457 177.962 176.870 -0.608 0.000 1.323 144 L CA 0.140 54.620 54.840 -0.601 0.000 1.159 144 L CB 0.068 41.701 42.059 -0.710 0.000 1.523 144 L HN 0.605 nan 8.230 nan 0.000 0.468 145 E N 0.460 120.501 120.200 -0.265 0.000 2.153 145 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 145 E C 1.583 178.181 176.600 -0.004 0.000 0.988 145 E CA 0.999 57.377 56.400 -0.036 0.000 0.811 145 E CB 0.133 30.000 29.700 0.279 0.000 0.746 145 E HN 0.492 nan 8.360 nan 0.000 0.466 146 K N 0.412 120.785 120.400 -0.046 0.000 2.280 146 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 146 K C 2.152 178.696 176.600 -0.093 0.000 1.047 146 K CA 0.683 56.959 56.287 -0.018 0.000 0.942 146 K CB 0.018 32.515 32.500 -0.005 0.000 0.739 146 K HN -0.014 nan 8.250 nan 0.000 0.457 147 R N -0.156 120.185 120.500 -0.265 0.000 2.128 147 R HA 0.001 4.341 4.340 -0.000 0.000 0.211 147 R C 1.293 177.493 176.300 -0.167 0.000 1.067 147 R CA 0.634 56.572 56.100 -0.269 0.000 1.010 147 R CB 0.168 30.208 30.300 -0.433 0.000 0.922 147 R HN 0.254 nan 8.270 nan 0.000 0.457 148 Y N -0.849 119.299 120.300 -0.253 0.000 2.511 148 Y HA 0.207 4.757 4.550 -0.000 0.000 0.279 148 Y C -0.135 175.421 175.900 -0.574 0.000 1.157 148 Y CA -0.527 57.309 58.100 -0.440 0.000 1.300 148 Y CB 0.456 38.557 38.460 -0.599 0.000 1.052 148 Y HN -0.104 nan 8.280 nan 0.000 0.529 149 F N -0.242 119.783 119.950 0.124 0.000 2.613 149 F HA 0.357 4.884 4.527 -0.000 0.000 0.310 149 F C -0.379 175.398 175.800 -0.039 0.000 1.085 149 F CA -1.424 56.606 58.000 0.050 0.000 0.945 149 F CB 1.700 40.745 39.000 0.075 0.000 1.298 149 F HN -0.257 nan 8.300 nan 0.000 0.455 150 E N 2.023 122.266 120.200 0.072 0.000 2.214 150 E HA 0.365 4.715 4.350 -0.000 0.000 0.274 150 E C -2.564 174.107 176.600 0.117 0.000 0.977 150 E CA -2.115 54.278 56.400 -0.011 0.000 0.827 150 E CB 1.242 30.813 29.700 -0.215 0.000 1.130 150 E HN 0.153 nan 8.360 nan 0.000 0.394 151 P HA -0.015 nan 4.420 nan 0.000 0.266 151 P C -0.086 177.271 177.300 0.096 0.000 1.195 151 P CA 0.065 63.194 63.100 0.048 0.000 0.768 151 P CB 0.451 32.139 31.700 -0.019 0.000 0.838 152 G N 2.392 111.164 108.800 -0.046 0.000 2.474 152 G HA2 0.033 3.993 3.960 -0.000 0.000 0.233 152 G HA3 0.033 3.993 3.960 -0.000 0.000 0.233 152 G C 0.371 175.150 174.900 -0.201 0.000 1.278 152 G CA -0.240 44.733 45.100 -0.212 0.000 0.861 152 G HN 0.618 nan 8.290 nan 0.000 0.567 153 D N 0.610 120.844 120.400 -0.276 0.000 2.479 153 D HA 0.006 4.646 4.640 -0.000 0.000 0.218 153 D C 1.450 177.629 176.300 -0.202 0.000 1.177 153 D CA -0.118 53.776 54.000 -0.176 0.000 0.830 153 D CB -0.005 40.752 40.800 -0.070 0.000 1.014 153 D HN 0.365 nan 8.370 nan 0.000 0.503 154 L N 0.001 121.066 121.223 -0.264 0.000 2.640 154 L HA 0.392 4.732 4.340 -0.000 0.000 0.230 154 L C 1.374 178.163 176.870 -0.134 0.000 1.123 154 L CA 0.151 54.891 54.840 -0.166 0.000 0.900 154 L CB -0.010 41.967 42.059 -0.136 0.000 1.146 154 L HN 0.245 nan 8.230 nan 0.000 0.484 155 G N 0.892 109.551 108.800 -0.236 0.000 2.601 155 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.252 155 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.252 155 G C -0.402 174.291 174.900 -0.345 0.000 1.294 155 G CA -0.267 44.655 45.100 -0.297 0.000 0.912 155 G HN 0.106 nan 8.290 nan 0.000 0.574 156 F N 2.799 122.804 119.950 0.092 0.000 2.371 156 F HA 0.427 4.954 4.527 0.000 0.000 0.343 156 F C -1.324 174.441 175.800 -0.058 0.000 1.150 156 F CA -1.218 56.798 58.000 0.027 0.000 1.220 156 F CB 1.459 40.448 39.000 -0.019 0.000 1.475 156 F HN 0.299 nan 8.300 nan 0.000 0.521 157 P HA 0.206 nan 4.420 nan 0.000 0.274 157 P C -0.620 176.513 177.300 -0.278 0.000 1.246 157 P CA -0.138 62.837 63.100 -0.207 0.000 0.795 157 P CB 2.431 33.897 31.700 -0.391 0.000 1.006 158 V N 2.018 121.697 119.914 -0.390 0.000 2.531 158 V HA 0.348 4.468 4.120 -0.000 0.000 0.301 158 V C -0.637 175.244 176.094 -0.355 0.000 1.034 158 V CA -0.397 61.758 62.300 -0.241 0.000 0.865 158 V CB 1.125 32.888 31.823 -0.101 0.000 0.995 158 V HN 0.442 nan 8.190 nan 0.000 0.424 159 Y N 1.108 121.396 120.300 -0.021 0.000 2.549 159 Y HA 0.549 5.099 4.550 -0.000 0.000 0.339 159 Y C -0.037 175.838 175.900 -0.042 0.000 1.053 159 Y CA -1.175 56.911 58.100 -0.023 0.000 1.105 159 Y CB 1.345 39.793 38.460 -0.020 0.000 1.258 159 Y HN 0.580 nan 8.280 nan 0.000 0.478 160 D N 1.102 121.588 120.400 0.144 0.000 2.313 160 D HA 0.449 5.089 4.640 -0.000 0.000 0.239 160 D C -1.236 175.081 176.300 0.029 0.000 1.142 160 D CA -0.026 54.005 54.000 0.052 0.000 0.847 160 D CB 1.161 41.983 40.800 0.036 0.000 1.082 160 D HN 0.136 nan 8.370 nan 0.000 0.480 161 V N 3.576 123.473 119.914 -0.028 0.000 2.349 161 V HA 0.160 4.280 4.120 -0.000 0.000 0.284 161 V C -0.438 175.618 176.094 -0.063 0.000 1.014 161 V CA -0.918 61.346 62.300 -0.060 0.000 0.826 161 V CB 1.270 33.002 31.823 -0.150 0.000 1.009 161 V HN 0.628 nan 8.190 nan 0.000 0.431 162 D N 4.935 125.319 120.400 -0.027 0.000 2.735 162 D HA -0.267 4.373 4.640 -0.000 0.000 0.235 162 D C 1.144 177.425 176.300 -0.032 0.000 1.175 162 D CA 1.218 55.207 54.000 -0.020 0.000 0.683 162 D CB -0.643 40.153 40.800 -0.005 0.000 1.008 162 D HN 1.473 nan 8.370 nan 0.000 0.416 163 A N -2.205 120.599 122.820 -0.026 0.000 3.021 163 A HA -0.053 4.267 4.320 -0.000 0.000 0.257 163 A C 0.724 178.284 177.584 -0.041 0.000 1.277 163 A CA 1.698 53.719 52.037 -0.026 0.000 1.012 163 A CB -1.551 17.436 19.000 -0.023 0.000 1.147 163 A HN 1.610 nan 8.150 nan 0.000 0.861 164 A N -0.348 122.435 122.820 -0.062 0.000 2.371 164 A HA 0.677 4.997 4.320 -0.000 0.000 0.311 164 A C -0.163 177.381 177.584 -0.067 0.000 1.068 164 A CA -0.431 51.557 52.037 -0.082 0.000 0.744 164 A CB 0.822 19.733 19.000 -0.149 0.000 1.239 164 A HN 0.424 nan 8.150 nan 0.000 0.435 165 K N 2.378 122.755 120.400 -0.039 0.000 2.267 165 K HA 0.492 4.812 4.320 -0.000 0.000 0.282 165 K C -0.813 175.768 176.600 -0.032 0.000 1.078 165 K CA 0.399 56.673 56.287 -0.020 0.000 0.903 165 K CB 0.866 33.364 32.500 -0.003 0.000 1.111 165 K HN 0.724 nan 8.250 nan 0.000 0.475 166 M N 1.542 121.120 119.600 -0.037 0.000 2.383 166 M HA 0.405 4.885 4.480 -0.000 0.000 0.325 166 M C 0.195 176.497 176.300 0.004 0.000 1.092 166 M CA -0.828 54.438 55.300 -0.056 0.000 0.961 166 M CB 2.270 34.768 32.600 -0.170 0.000 1.672 166 M HN 0.663 nan 8.290 nan 0.000 0.438 167 G N 2.622 111.409 108.800 -0.022 0.000 2.453 167 G HA2 0.847 4.807 3.960 -0.000 0.000 0.323 167 G HA3 0.847 4.807 3.960 -0.000 0.000 0.323 167 G C -1.222 173.629 174.900 -0.081 0.000 1.198 167 G CA -0.737 44.344 45.100 -0.033 0.000 0.959 167 G HN 0.625 nan 8.290 nan 0.000 0.482 168 M N 0.916 120.435 119.600 -0.135 0.000 2.456 168 M HA 0.561 5.041 4.480 -0.000 0.000 0.324 168 M C -1.042 174.974 176.300 -0.472 0.000 1.124 168 M CA -0.692 54.458 55.300 -0.250 0.000 0.959 168 M CB 2.253 34.798 32.600 -0.092 0.000 1.692 168 M HN 0.590 nan 8.290 nan 0.000 0.444 169 F N 1.210 120.977 119.950 -0.305 0.000 2.603 169 F HA 0.889 5.416 4.527 -0.000 0.000 0.317 169 F C -1.626 174.223 175.800 0.082 0.000 1.066 169 F CA -1.315 56.551 58.000 -0.224 0.000 0.941 169 F CB 1.086 39.923 39.000 -0.273 0.000 1.291 169 F HN 0.432 nan 8.300 nan 0.000 0.472 170 I N 3.218 124.116 120.570 0.548 0.000 2.468 170 I HA 0.551 4.721 4.170 -0.000 0.000 0.285 170 I C 0.611 177.054 176.117 0.544 0.000 1.039 170 I CA -0.519 61.038 61.300 0.428 0.000 1.074 170 I CB 1.313 39.512 38.000 0.331 0.000 1.228 170 I HN 1.196 nan 8.210 nan 0.000 0.436 171 A N 6.131 129.302 122.820 0.585 0.000 5.213 171 A HA -0.379 3.941 4.320 -0.000 0.000 0.347 171 A C 1.958 179.784 177.584 0.403 0.000 1.682 171 A CA 2.193 54.531 52.037 0.503 0.000 0.701 171 A CB -1.433 17.792 19.000 0.375 0.000 1.474 171 A HN 0.877 nan 8.150 nan 0.000 0.405 172 N N -0.042 118.868 118.700 0.349 0.000 2.133 172 N HA -0.262 4.478 4.740 -0.000 0.000 0.193 172 N C 1.222 176.982 175.510 0.417 0.000 1.012 172 N CA 2.275 55.526 53.050 0.336 0.000 0.871 172 N CB -0.559 38.156 38.487 0.380 0.000 1.011 172 N HN 0.631 nan 8.380 nan 0.000 0.435 173 D N 0.687 121.377 120.400 0.484 0.000 2.203 173 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 173 D C 1.977 178.432 176.300 0.257 0.000 0.997 173 D CA 0.950 55.251 54.000 0.502 0.000 0.863 173 D CB -0.320 40.824 40.800 0.573 0.000 0.928 173 D HN 0.658 nan 8.370 nan 0.000 0.458 174 R N 0.892 121.414 120.500 0.037 0.000 2.241 174 R HA -0.042 4.298 4.340 -0.000 0.000 0.224 174 R C 1.596 177.950 176.300 0.091 0.000 1.101 174 R CA 0.879 56.902 56.100 -0.128 0.000 0.995 174 R CB -0.290 29.716 30.300 -0.491 0.000 0.870 174 R HN 0.146 nan 8.270 nan 0.000 0.463 175 R N -0.384 120.091 120.500 -0.042 0.000 2.297 175 R HA 0.077 4.417 4.340 -0.000 0.000 0.197 175 R C -0.446 175.557 176.300 -0.496 0.000 0.943 175 R CA 0.241 56.160 56.100 -0.301 0.000 1.038 175 R CB 0.172 30.218 30.300 -0.423 0.000 0.957 175 R HN 0.160 nan 8.270 nan 0.000 0.484 176 W N 2.410 123.620 121.300 -0.150 0.000 2.291 176 W HA 0.286 4.946 4.660 0.000 0.000 0.312 176 W C -1.557 174.911 176.519 -0.086 0.000 1.061 176 W CA -2.476 54.737 57.345 -0.219 0.000 1.296 176 W CB 1.054 30.178 29.460 -0.560 0.000 1.223 176 W HN -0.143 nan 8.180 nan 0.000 0.421 177 P HA -0.234 nan 4.420 nan 0.000 0.219 177 P C 0.730 178.043 177.300 0.021 0.000 1.146 177 P CA 1.752 64.834 63.100 -0.029 0.000 0.808 177 P CB 0.548 32.166 31.700 -0.137 0.000 0.779 178 E N 0.467 120.693 120.200 0.043 0.000 2.077 178 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 178 E C 2.353 178.815 176.600 -0.231 0.000 0.989 178 E CA 1.583 57.965 56.400 -0.030 0.000 0.800 178 E CB -0.988 28.752 29.700 0.066 0.000 0.746 178 E HN 0.218 nan 8.360 nan 0.000 0.452 179 A N 0.257 122.891 122.820 -0.310 0.000 1.858 179 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 179 A C 1.858 179.174 177.584 -0.447 0.000 1.190 179 A CA 1.489 53.014 52.037 -0.853 0.000 0.617 179 A CB -1.116 17.621 19.000 -0.438 0.000 0.827 179 A HN 0.371 nan 8.150 nan 0.000 0.443 180 W N -0.646 120.491 121.300 -0.272 0.000 2.355 180 W HA -0.101 4.559 4.660 -0.000 0.000 0.309 180 W C 2.489 178.926 176.519 -0.136 0.000 1.206 180 W CA 1.631 58.876 57.345 -0.167 0.000 1.284 180 W CB -0.365 29.003 29.460 -0.152 0.000 1.145 180 W HN 0.266 nan 8.180 nan 0.000 0.502 181 R N 0.684 121.231 120.500 0.078 0.000 2.081 181 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 181 R C 1.909 178.206 176.300 -0.005 0.000 1.131 181 R CA 1.888 57.986 56.100 -0.003 0.000 0.960 181 R CB -1.194 29.039 30.300 -0.111 0.000 0.856 181 R HN 0.096 nan 8.270 nan 0.000 0.436 182 V N 0.679 120.559 119.914 -0.057 0.000 2.287 182 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 182 V C 2.341 178.458 176.094 0.039 0.000 1.053 182 V CA 2.341 64.639 62.300 -0.003 0.000 1.027 182 V CB -0.445 31.391 31.823 0.022 0.000 0.646 182 V HN 0.362 nan 8.190 nan 0.000 0.447 183 M N 0.034 119.641 119.600 0.011 0.000 2.229 183 M HA -0.038 4.442 4.480 -0.000 0.000 0.264 183 M C 2.258 178.605 176.300 0.078 0.000 1.063 183 M CA 1.787 57.104 55.300 0.028 0.000 1.114 183 M CB -0.802 31.782 32.600 -0.027 0.000 1.387 183 M HN 0.494 nan 8.290 nan 0.000 0.420 184 G N 0.681 109.562 108.800 0.135 0.000 2.418 184 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 184 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 184 G C 1.479 176.565 174.900 0.311 0.000 1.158 184 G CA 0.482 45.721 45.100 0.232 0.000 0.771 184 G HN 0.350 nan 8.290 nan 0.000 0.545 185 L N -0.327 121.060 121.223 0.272 0.000 2.275 185 L HA 0.077 4.417 4.340 -0.000 0.000 0.215 185 L C 2.709 179.668 176.870 0.148 0.000 1.119 185 L CA 0.499 55.488 54.840 0.250 0.000 0.790 185 L CB -0.079 42.044 42.059 0.107 0.000 0.919 185 L HN 0.124 nan 8.230 nan 0.000 0.443 186 R N 0.012 120.570 120.500 0.097 0.000 2.320 186 R HA 0.135 4.475 4.340 -0.000 0.000 0.211 186 R C 1.119 177.440 176.300 0.035 0.000 0.931 186 R CA 0.553 56.682 56.100 0.047 0.000 1.071 186 R CB 0.197 30.506 30.300 0.014 0.000 1.025 186 R HN 0.378 nan 8.270 nan 0.000 0.495 187 G N 0.928 109.761 108.800 0.054 0.000 2.147 187 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.244 187 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.244 187 G C 0.235 175.148 174.900 0.022 0.000 1.005 187 G CA 0.061 45.176 45.100 0.024 0.000 0.713 187 G HN 0.499 nan 8.290 nan 0.000 0.515 188 A N -0.454 122.387 122.820 0.034 0.000 2.511 188 A HA 0.564 4.884 4.320 -0.000 0.000 0.242 188 A C 1.082 178.704 177.584 0.063 0.000 1.069 188 A CA 1.236 53.295 52.037 0.036 0.000 0.763 188 A CB 0.230 19.250 19.000 0.034 0.000 1.001 188 A HN 0.578 nan 8.150 nan 0.000 0.498 189 E N 1.235 121.477 120.200 0.070 0.000 2.340 189 E HA 0.225 4.575 4.350 -0.000 0.000 0.198 189 E C -0.415 176.309 176.600 0.206 0.000 0.961 189 E CA 0.495 56.975 56.400 0.134 0.000 0.905 189 E CB 0.355 30.117 29.700 0.104 0.000 0.884 189 E HN 0.722 nan 8.360 nan 0.000 0.491 190 I N 1.668 122.306 120.570 0.113 0.000 2.499 190 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 190 I C -0.928 175.225 176.117 0.060 0.000 1.048 190 I CA -0.623 60.747 61.300 0.117 0.000 1.062 190 I CB 2.288 40.280 38.000 -0.014 0.000 1.238 190 I HN -0.117 nan 8.210 nan 0.000 0.426 191 I N 6.225 126.855 120.570 0.101 0.000 2.410 191 I HA 0.462 4.632 4.170 -0.000 0.000 0.286 191 I C -0.437 175.734 176.117 0.089 0.000 1.009 191 I CA -0.474 60.828 61.300 0.004 0.000 1.111 191 I CB 1.525 39.427 38.000 -0.163 0.000 1.262 191 I HN 0.691 nan 8.210 nan 0.000 0.443 192 C N 3.190 122.478 119.300 -0.019 0.000 3.171 192 C HA 1.076 5.536 4.460 -0.000 0.000 0.308 192 C C 0.066 174.622 174.990 -0.724 0.000 1.334 192 C CA -0.469 58.485 59.018 -0.106 0.000 1.473 192 C CB 1.129 28.878 27.740 0.014 0.000 1.866 192 C HN 1.014 nan 8.230 nan 0.000 0.465 193 G N -0.511 107.758 108.800 -0.886 0.000 2.321 193 G HA2 0.720 4.680 3.960 -0.000 0.000 0.296 193 G HA3 0.720 4.680 3.960 -0.000 0.000 0.296 193 G C -0.784 173.904 174.900 -0.353 0.000 1.287 193 G CA 0.189 44.710 45.100 -0.965 0.000 0.846 193 G HN 1.832 nan 8.290 nan 0.000 0.508 194 G N -1.789 106.955 108.800 -0.094 0.000 3.042 194 G HA2 0.978 4.938 3.960 -0.000 0.000 0.278 194 G HA3 0.978 4.938 3.960 -0.000 0.000 0.278 194 G C -1.312 173.772 174.900 0.308 0.000 1.371 194 G CA -0.284 44.885 45.100 0.115 0.000 1.009 194 G HN 1.830 nan 8.290 nan 0.000 0.523 195 Y N -2.279 118.101 120.300 0.134 0.000 2.604 195 Y HA 0.616 5.166 4.550 -0.000 0.000 0.331 195 Y C -1.288 174.594 175.900 -0.030 0.000 1.158 195 Y CA -1.583 56.573 58.100 0.094 0.000 1.056 195 Y CB 1.253 39.789 38.460 0.127 0.000 1.330 195 Y HN 0.352 nan 8.280 nan 0.000 0.457 196 N N 2.049 120.757 118.700 0.014 0.000 2.623 196 N HA 0.291 5.031 4.740 -0.000 0.000 0.256 196 N C -1.497 173.887 175.510 -0.209 0.000 1.045 196 N CA -0.445 52.435 53.050 -0.283 0.000 0.863 196 N CB 1.990 39.966 38.487 -0.850 0.000 1.182 196 N HN 0.717 nan 8.380 nan 0.000 0.523 197 T N 2.287 116.834 114.554 -0.012 0.000 2.893 197 T HA 0.346 4.696 4.350 -0.000 0.000 0.324 197 T C -2.559 172.120 174.700 -0.034 0.000 1.082 197 T CA -1.322 60.774 62.100 -0.007 0.000 0.983 197 T CB 1.795 70.680 68.868 0.028 0.000 1.005 197 T HN 0.103 nan 8.240 nan 0.000 0.475 198 P HA 0.114 nan 4.420 nan 0.000 0.268 198 P C 1.171 178.512 177.300 0.068 0.000 1.205 198 P CA -0.229 62.855 63.100 -0.027 0.000 0.771 198 P CB 0.447 32.160 31.700 0.022 0.000 0.858 199 T N -1.479 113.123 114.554 0.080 0.000 3.160 199 T HA -0.067 4.283 4.350 -0.000 0.000 0.257 199 T C 0.542 175.371 174.700 0.215 0.000 1.147 199 T CA 0.717 62.886 62.100 0.116 0.000 1.064 199 T CB -0.634 68.283 68.868 0.082 0.000 0.949 199 T HN 0.472 nan 8.240 nan 0.000 0.526 200 H N 0.498 119.676 119.070 0.180 0.000 2.589 200 H HA 0.538 5.094 4.556 -0.000 0.000 0.351 200 H C -1.562 173.923 175.328 0.262 0.000 1.074 200 H CA -0.827 55.355 56.048 0.223 0.000 1.203 200 H CB 1.594 31.520 29.762 0.273 0.000 1.558 200 H HN 0.115 nan 8.280 nan 0.000 0.522 201 N N 5.756 124.196 118.700 -0.432 0.000 2.483 201 N HA 0.258 4.998 4.740 -0.000 0.000 0.267 201 N C -2.171 172.980 175.510 -0.599 0.000 0.998 201 N CA -2.036 50.780 53.050 -0.390 0.000 0.918 201 N CB 2.171 40.580 38.487 -0.129 0.000 1.215 201 N HN 0.317 nan 8.380 nan 0.000 0.500 202 P HA -0.132 nan 4.420 nan 0.000 0.215 202 P C -1.448 175.859 177.300 0.011 0.000 1.157 202 P CA 1.439 64.360 63.100 -0.299 0.000 0.874 202 P CB -0.374 31.063 31.700 -0.438 0.000 0.790 203 P HA -0.012 nan 4.420 nan 0.000 0.222 203 P C 0.175 177.434 177.300 -0.068 0.000 1.153 203 P CA 1.438 64.543 63.100 0.009 0.000 0.798 203 P CB 0.201 31.902 31.700 0.002 0.000 0.796 204 V N 2.189 122.036 119.914 -0.112 0.000 2.464 204 V HA 0.158 4.278 4.120 -0.000 0.000 0.255 204 V C -1.620 174.388 176.094 -0.144 0.000 0.946 204 V CA -0.986 61.201 62.300 -0.188 0.000 0.988 204 V CB 1.197 32.835 31.823 -0.309 0.000 1.210 204 V HN 0.008 nan 8.190 nan 0.000 0.523 205 P HA -0.171 nan 4.420 nan 0.000 0.225 205 P C 1.297 178.670 177.300 0.122 0.000 1.148 205 P CA 0.925 64.069 63.100 0.074 0.000 0.779 205 P CB 0.376 32.181 31.700 0.176 0.000 0.780 206 Q N -0.396 119.437 119.800 0.056 0.000 2.515 206 Q HA -0.137 4.203 4.340 -0.000 0.000 0.212 206 Q C 0.759 176.967 176.000 0.347 0.000 0.970 206 Q CA 1.135 57.042 55.803 0.174 0.000 0.941 206 Q CB -1.186 27.621 28.738 0.115 0.000 0.998 206 Q HN 0.548 nan 8.270 nan 0.000 0.518 207 H N -0.267 118.859 119.070 0.093 0.000 2.594 207 H HA 0.116 4.672 4.556 0.000 0.000 0.279 207 H C 0.474 175.777 175.328 -0.042 0.000 1.042 207 H CA -0.433 55.611 56.048 -0.006 0.000 1.177 207 H CB 0.771 30.587 29.762 0.090 0.000 1.524 207 H HN 0.182 nan 8.280 nan 0.000 0.537 208 D N 0.825 121.344 120.400 0.198 0.000 2.104 208 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 208 D C 2.112 178.491 176.300 0.131 0.000 0.994 208 D CA 1.300 55.413 54.000 0.189 0.000 0.830 208 D CB -0.304 40.654 40.800 0.265 0.000 0.959 208 D HN 0.680 nan 8.370 nan 0.000 0.452 209 H N -0.198 118.923 119.070 0.085 0.000 2.563 209 H HA 0.052 4.608 4.556 -0.000 0.000 0.272 209 H C 1.525 176.856 175.328 0.006 0.000 1.005 209 H CA 0.405 56.477 56.048 0.040 0.000 1.171 209 H CB -0.478 29.295 29.762 0.018 0.000 1.351 209 H HN 0.216 nan 8.280 nan 0.000 0.602 210 L N 0.576 121.556 121.223 -0.404 0.000 2.693 210 L HA 0.106 4.446 4.340 -0.000 0.000 0.235 210 L C 1.770 178.533 176.870 -0.179 0.000 1.127 210 L CA 0.019 54.626 54.840 -0.388 0.000 0.914 210 L CB 0.201 41.843 42.059 -0.694 0.000 1.193 210 L HN 0.083 nan 8.230 nan 0.000 0.502 211 T N -0.498 114.043 114.554 -0.021 0.000 2.665 211 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 211 T C 2.115 176.874 174.700 0.099 0.000 1.035 211 T CA 2.220 64.360 62.100 0.067 0.000 1.151 211 T CB -0.087 68.826 68.868 0.074 0.000 0.862 211 T HN 0.349 nan 8.240 nan 0.000 0.438 212 S N 0.413 116.189 115.700 0.127 0.000 2.355 212 S HA -0.107 4.363 4.470 -0.000 0.000 0.222 212 S C 1.794 176.509 174.600 0.192 0.000 1.031 212 S CA 1.128 59.474 58.200 0.242 0.000 0.993 212 S CB -0.636 62.769 63.200 0.341 0.000 0.859 212 S HN 0.439 nan 8.310 nan 0.000 0.453 213 F N 2.028 121.951 119.950 -0.045 0.000 2.091 213 F HA -0.166 4.361 4.527 0.000 0.000 0.299 213 F C 2.068 177.809 175.800 -0.097 0.000 1.103 213 F CA 2.467 60.390 58.000 -0.129 0.000 1.228 213 F CB -0.987 37.852 39.000 -0.268 0.000 0.984 213 F HN 0.428 nan 8.300 nan 0.000 0.477 214 H N -2.708 116.246 119.070 -0.194 0.000 2.389 214 H HA -0.160 4.396 4.556 0.000 0.000 0.299 214 H C 2.113 177.276 175.328 -0.274 0.000 1.081 214 H CA 1.210 57.059 56.048 -0.332 0.000 1.345 214 H CB -0.268 29.409 29.762 -0.143 0.000 1.393 214 H HN 0.447 nan 8.280 nan 0.000 0.520 215 H N 0.981 119.984 119.070 -0.112 0.000 2.270 215 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 215 H C 2.109 177.321 175.328 -0.194 0.000 1.077 215 H CA 1.646 57.587 56.048 -0.178 0.000 1.294 215 H CB -0.470 29.181 29.762 -0.184 0.000 1.371 215 H HN 0.199 nan 8.280 nan 0.000 0.491 216 L N -0.375 120.583 121.223 -0.443 0.000 2.083 216 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 216 L C 2.572 179.196 176.870 -0.410 0.000 1.083 216 L CA 1.004 55.564 54.840 -0.466 0.000 0.752 216 L CB -0.497 41.412 42.059 -0.251 0.000 0.899 216 L HN 0.312 nan 8.230 nan 0.000 0.433 217 L N -0.521 120.420 121.223 -0.469 0.000 2.042 217 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 217 L C 2.572 179.190 176.870 -0.420 0.000 1.076 217 L CA 1.840 56.377 54.840 -0.504 0.000 0.749 217 L CB -0.497 41.100 42.059 -0.769 0.000 0.893 217 L HN 0.080 nan 8.230 nan 0.000 0.432 218 S N -0.803 114.658 115.700 -0.397 0.000 2.368 218 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 218 S C 1.896 176.245 174.600 -0.418 0.000 1.030 218 S CA 1.634 59.608 58.200 -0.377 0.000 0.999 218 S CB -0.263 62.773 63.200 -0.274 0.000 0.844 218 S HN 0.386 nan 8.310 nan 0.000 0.459 219 M N 1.486 120.882 119.600 -0.340 0.000 2.099 219 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 219 M C 2.206 178.317 176.300 -0.315 0.000 1.067 219 M CA 1.399 56.569 55.300 -0.218 0.000 1.124 219 M CB -1.521 30.981 32.600 -0.163 0.000 1.353 219 M HN 0.356 nan 8.290 nan 0.000 0.410 220 Q N -0.086 119.536 119.800 -0.298 0.000 2.050 220 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 220 Q C 2.256 178.092 176.000 -0.274 0.000 0.980 220 Q CA 1.835 57.492 55.803 -0.243 0.000 0.840 220 Q CB -0.339 28.269 28.738 -0.217 0.000 0.898 220 Q HN 0.573 nan 8.270 nan 0.000 0.424 221 A N 0.973 123.584 122.820 -0.348 0.000 1.902 221 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 221 A C 2.304 179.565 177.584 -0.539 0.000 1.181 221 A CA 1.666 53.509 52.037 -0.324 0.000 0.623 221 A CB -1.296 17.497 19.000 -0.345 0.000 0.818 221 A HN 0.487 nan 8.150 nan 0.000 0.443 222 G N -0.841 107.330 108.800 -1.049 0.000 2.446 222 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 222 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 222 G C 1.882 176.145 174.900 -1.062 0.000 1.168 222 G CA 1.372 45.345 45.100 -1.877 0.000 0.771 222 G HN 0.473 nan 8.290 nan 0.000 0.551 223 S N -0.367 114.925 115.700 -0.680 0.000 2.343 223 S HA -0.137 4.333 4.470 -0.000 0.000 0.219 223 S C 1.978 176.549 174.600 -0.050 0.000 1.033 223 S CA 1.366 59.500 58.200 -0.110 0.000 1.014 223 S CB -0.488 62.699 63.200 -0.021 0.000 0.915 223 S HN 0.498 nan 8.310 nan 0.000 0.435 224 Y N 2.450 122.644 120.300 -0.177 0.000 2.053 224 Y HA -0.236 4.314 4.550 0.000 0.000 0.277 224 Y C 2.236 178.181 175.900 0.076 0.000 1.159 224 Y CA 1.970 60.045 58.100 -0.042 0.000 1.125 224 Y CB -0.904 37.530 38.460 -0.044 0.000 0.969 224 Y HN 0.328 nan 8.280 nan 0.000 0.492 225 Q N -0.403 119.147 119.800 -0.416 0.000 2.437 225 Q HA -0.105 4.235 4.340 -0.000 0.000 0.210 225 Q C 0.933 176.574 176.000 -0.598 0.000 0.972 225 Q CA 1.026 56.296 55.803 -0.889 0.000 0.903 225 Q CB -0.074 28.238 28.738 -0.711 0.000 0.967 225 Q HN 0.582 nan 8.270 nan 0.000 0.486 226 N N -0.608 117.964 118.700 -0.213 0.000 2.171 226 N HA 0.070 4.810 4.740 -0.000 0.000 0.212 226 N C 0.192 175.692 175.510 -0.017 0.000 1.184 226 N CA 0.595 53.642 53.050 -0.004 0.000 0.888 226 N CB 1.508 40.083 38.487 0.146 0.000 1.038 226 N HN 0.238 nan 8.380 nan 0.000 0.517 227 G N 1.576 110.375 108.800 -0.002 0.000 2.371 227 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.299 227 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.299 227 G C -0.100 174.796 174.900 -0.007 0.000 1.014 227 G CA 0.664 45.764 45.100 0.000 0.000 1.097 227 G HN 0.516 nan 8.290 nan 0.000 0.512 228 A N -0.554 122.290 122.820 0.040 0.000 2.386 228 A HA 0.750 5.070 4.320 -0.000 0.000 0.311 228 A C -0.151 177.513 177.584 0.133 0.000 1.068 228 A CA -0.896 51.215 52.037 0.123 0.000 0.743 228 A CB 1.084 20.219 19.000 0.226 0.000 1.258 228 A HN 0.579 nan 8.150 nan 0.000 0.429 229 W N 1.592 122.962 121.300 0.116 0.000 2.170 229 W HA 0.453 5.113 4.660 -0.000 0.000 0.336 229 W C 0.940 177.560 176.519 0.169 0.000 1.283 229 W CA 1.227 58.642 57.345 0.117 0.000 1.224 229 W CB 1.110 30.613 29.460 0.071 0.000 1.132 229 W HN 0.881 nan 8.180 nan 0.000 0.571 230 S N 1.147 117.108 115.700 0.436 0.000 2.618 230 S HA 0.942 5.412 4.470 -0.000 0.000 0.277 230 S C -1.072 173.748 174.600 0.366 0.000 1.138 230 S CA -0.952 57.492 58.200 0.407 0.000 0.844 230 S CB 2.048 65.584 63.200 0.559 0.000 1.127 230 S HN 1.044 nan 8.310 nan 0.000 0.474 231 A N 0.269 123.312 122.820 0.372 0.000 2.488 231 A HA 0.888 5.208 4.320 -0.000 0.000 0.295 231 A C -0.731 177.109 177.584 0.426 0.000 1.045 231 A CA -0.350 51.887 52.037 0.334 0.000 0.703 231 A CB 1.149 20.293 19.000 0.241 0.000 1.271 231 A HN 2.001 nan 8.150 nan 0.000 0.400 232 A N 1.241 124.351 122.820 0.482 0.000 2.335 232 A HA 0.820 5.140 4.320 -0.000 0.000 0.304 232 A C -0.072 177.838 177.584 0.545 0.000 1.118 232 A CA 0.136 52.584 52.037 0.685 0.000 0.757 232 A CB 0.972 20.507 19.000 0.892 0.000 1.188 232 A HN 2.340 nan 8.150 nan 0.000 0.460 233 A N 2.322 125.323 122.820 0.301 0.000 2.256 233 A HA 0.725 5.045 4.320 -0.000 0.000 0.317 233 A C 0.497 177.848 177.584 -0.387 0.000 1.318 233 A CA 0.142 52.209 52.037 0.050 0.000 0.894 233 A CB 0.354 19.393 19.000 0.064 0.000 1.165 233 A HN 1.539 nan 8.150 nan 0.000 0.525 234 G N 0.908 109.281 108.800 -0.711 0.000 2.461 234 G HA2 0.528 4.488 3.960 -0.000 0.000 0.329 234 G HA3 0.528 4.488 3.960 -0.000 0.000 0.329 234 G C -0.412 174.217 174.900 -0.451 0.000 1.170 234 G CA -0.695 43.667 45.100 -1.230 0.000 0.935 234 G HN 0.756 nan 8.290 nan 0.000 0.492 235 K N 0.244 120.433 120.400 -0.352 0.000 2.316 235 K HA 0.647 4.967 4.320 -0.000 0.000 0.267 235 K C -0.028 176.486 176.600 -0.143 0.000 1.025 235 K CA -0.439 55.751 56.287 -0.162 0.000 0.896 235 K CB 0.965 33.406 32.500 -0.099 0.000 1.124 235 K HN 0.601 nan 8.250 nan 0.000 0.451 236 A N 3.015 125.781 122.820 -0.091 0.000 2.347 236 A HA 0.962 5.282 4.320 -0.000 0.000 0.301 236 A C 0.091 177.651 177.584 -0.040 0.000 1.163 236 A CA -0.272 51.730 52.037 -0.059 0.000 0.860 236 A CB 0.908 19.889 19.000 -0.032 0.000 1.367 236 A HN 1.051 nan 8.150 nan 0.000 0.461 237 G N -1.782 106.998 108.800 -0.033 0.000 2.566 237 G HA2 0.307 4.267 3.960 -0.000 0.000 0.599 237 G HA3 0.307 4.267 3.960 -0.000 0.000 0.599 237 G C -0.351 174.532 174.900 -0.028 0.000 1.292 237 G CA -0.036 45.050 45.100 -0.022 0.000 0.922 237 G HN 1.792 nan 8.290 nan 0.000 0.514 238 M N 1.436 121.028 119.600 -0.014 0.000 2.557 238 M HA 0.477 4.957 4.480 -0.000 0.000 0.328 238 M C 0.272 176.571 176.300 -0.002 0.000 1.423 238 M CA -0.039 55.254 55.300 -0.013 0.000 1.418 238 M CB -0.116 32.486 32.600 0.004 0.000 1.381 238 M HN 0.503 nan 8.290 nan 0.000 0.467 239 E N 3.799 123.986 120.200 -0.022 0.000 2.109 239 E HA 0.158 4.508 4.350 -0.000 0.000 0.278 239 E C -0.472 176.143 176.600 0.026 0.000 0.954 239 E CA -0.144 56.262 56.400 0.009 0.000 0.779 239 E CB 0.539 30.235 29.700 -0.006 0.000 1.093 239 E HN 0.559 nan 8.360 nan 0.000 0.401 240 E N 4.130 124.390 120.200 0.101 0.000 2.360 240 E HA -0.293 4.057 4.350 -0.000 0.000 0.238 240 E C -0.486 176.190 176.600 0.127 0.000 1.186 240 E CA 0.968 57.476 56.400 0.180 0.000 0.719 240 E CB -1.624 28.275 29.700 0.331 0.000 1.236 240 E HN 0.881 nan 8.360 nan 0.000 0.386 241 N N -3.152 115.593 118.700 0.075 0.000 2.850 241 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 241 N C -0.097 175.415 175.510 0.003 0.000 1.060 241 N CA 1.273 54.359 53.050 0.060 0.000 0.825 241 N CB -1.858 36.695 38.487 0.109 0.000 1.132 241 N HN 0.524 nan 8.380 nan 0.000 0.564 242 C N 1.553 120.797 119.300 -0.092 0.000 2.322 242 C HA 0.635 5.095 4.460 -0.000 0.000 0.324 242 C C 0.538 175.409 174.990 -0.198 0.000 1.249 242 C CA -1.012 57.844 59.018 -0.270 0.000 1.453 242 C CB 0.318 27.691 27.740 -0.611 0.000 2.145 242 C HN 0.307 nan 8.230 nan 0.000 0.466 243 M N 6.975 126.499 119.600 -0.127 0.000 2.227 243 M HA 0.470 4.950 4.480 -0.000 0.000 0.349 243 M C -0.994 175.250 176.300 -0.093 0.000 1.443 243 M CA 0.076 55.333 55.300 -0.072 0.000 1.110 243 M CB -0.008 32.583 32.600 -0.014 0.000 1.773 243 M HN 0.634 nan 8.290 nan 0.000 0.463 244 L N 5.332 126.503 121.223 -0.087 0.000 2.331 244 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 244 L C -0.445 176.404 176.870 -0.035 0.000 1.022 244 L CA -1.331 53.458 54.840 -0.084 0.000 0.812 244 L CB 1.469 43.458 42.059 -0.117 0.000 1.257 244 L HN 0.627 nan 8.230 nan 0.000 0.435 245 L N 1.510 122.733 121.223 0.001 0.000 2.456 245 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 245 L C 0.633 177.550 176.870 0.078 0.000 1.189 245 L CA 0.734 55.594 54.840 0.034 0.000 0.846 245 L CB 1.011 43.094 42.059 0.041 0.000 1.111 245 L HN 0.669 nan 8.230 nan 0.000 0.475 246 G N 1.494 110.317 108.800 0.038 0.000 3.365 246 G HA2 0.147 4.107 3.960 -0.000 0.000 0.185 246 G HA3 0.147 4.107 3.960 -0.000 0.000 0.185 246 G C -0.142 174.906 174.900 0.247 0.000 1.565 246 G CA -0.022 45.127 45.100 0.082 0.000 0.984 246 G HN 0.909 nan 8.290 nan 0.000 0.604 247 H N -0.601 118.573 119.070 0.173 0.000 2.692 247 H HA -0.141 4.415 4.556 -0.000 0.000 0.316 247 H C 0.095 175.643 175.328 0.366 0.000 1.176 247 H CA -0.154 56.033 56.048 0.232 0.000 1.142 247 H CB -1.264 28.643 29.762 0.242 0.000 1.475 247 H HN 0.237 nan 8.280 nan 0.000 0.423 248 S N 0.234 116.189 115.700 0.425 0.000 2.579 248 S HA 0.338 4.808 4.470 -0.000 0.000 0.275 248 S C 0.636 175.445 174.600 0.349 0.000 1.345 248 S CA 0.111 58.566 58.200 0.426 0.000 1.031 248 S CB 1.257 64.600 63.200 0.238 0.000 0.892 248 S HN 0.584 nan 8.310 nan 0.000 0.529 249 C N 1.182 120.690 119.300 0.347 0.000 3.288 249 C HA 0.758 5.218 4.460 -0.000 0.000 0.318 249 C C -1.080 174.047 174.990 0.228 0.000 1.356 249 C CA -1.106 58.054 59.018 0.237 0.000 1.359 249 C CB -0.156 27.689 27.740 0.175 0.000 1.688 249 C HN 0.761 nan 8.230 nan 0.000 0.467 250 I N 1.783 122.467 120.570 0.189 0.000 2.465 250 I HA 0.682 4.852 4.170 -0.000 0.000 0.291 250 I C -0.726 175.518 176.117 0.212 0.000 1.014 250 I CA -0.636 60.795 61.300 0.219 0.000 1.093 250 I CB 2.022 40.142 38.000 0.200 0.000 1.267 250 I HN 0.606 nan 8.210 nan 0.000 0.431 251 V N 4.503 124.568 119.914 0.250 0.000 2.656 251 V HA 0.638 4.758 4.120 -0.000 0.000 0.307 251 V C 0.299 176.481 176.094 0.147 0.000 1.051 251 V CA -0.708 61.690 62.300 0.163 0.000 0.893 251 V CB 1.793 33.677 31.823 0.102 0.000 0.999 251 V HN 0.855 nan 8.190 nan 0.000 0.426 252 A N 5.866 128.634 122.820 -0.087 0.000 2.313 252 A HA 0.608 4.928 4.320 -0.000 0.000 0.261 252 A C -1.214 176.047 177.584 -0.538 0.000 1.090 252 A CA -1.288 50.369 52.037 -0.634 0.000 0.807 252 A CB 0.094 18.754 19.000 -0.566 0.000 1.055 252 A HN 0.691 nan 8.150 nan 0.000 0.492 253 P HA -0.107 nan 4.420 nan 0.000 0.231 253 P C 1.003 178.218 177.300 -0.142 0.000 1.158 253 P CA 1.737 64.602 63.100 -0.391 0.000 0.763 253 P CB -0.263 31.166 31.700 -0.452 0.000 0.805 254 T N -5.475 108.975 114.554 -0.174 0.000 3.100 254 T HA 0.336 4.686 4.350 -0.000 0.000 0.253 254 T C 1.604 176.273 174.700 -0.051 0.000 1.118 254 T CA 0.642 62.720 62.100 -0.037 0.000 1.058 254 T CB -0.570 68.226 68.868 -0.120 0.000 0.953 254 T HN 0.216 nan 8.240 nan 0.000 0.515 255 G N 1.211 109.964 108.800 -0.078 0.000 2.175 255 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 255 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 255 G C -0.226 174.600 174.900 -0.124 0.000 0.982 255 G CA -0.149 44.894 45.100 -0.095 0.000 0.641 255 G HN 0.625 nan 8.290 nan 0.000 0.527 256 E N 0.297 120.421 120.200 -0.126 0.000 2.344 256 E HA 0.432 4.782 4.350 -0.000 0.000 0.270 256 E C 0.582 177.149 176.600 -0.055 0.000 1.021 256 E CA -0.332 56.009 56.400 -0.097 0.000 0.887 256 E CB 0.970 30.615 29.700 -0.092 0.000 0.997 256 E HN 0.413 nan 8.360 nan 0.000 0.429 257 I N 4.029 124.575 120.570 -0.041 0.000 2.436 257 I HA -0.056 4.114 4.170 -0.000 0.000 0.289 257 I C 1.303 177.438 176.117 0.028 0.000 1.083 257 I CA -0.110 61.188 61.300 -0.003 0.000 1.372 257 I CB 0.678 38.660 38.000 -0.030 0.000 1.408 257 I HN 0.477 nan 8.210 nan 0.000 0.516 258 V N 3.206 123.169 119.914 0.081 0.000 3.471 258 V HA 0.518 4.638 4.120 -0.000 0.000 0.258 258 V C 0.681 176.832 176.094 0.095 0.000 1.192 258 V CA 0.359 62.721 62.300 0.103 0.000 1.116 258 V CB -0.061 31.871 31.823 0.183 0.000 0.792 258 V HN 0.712 nan 8.190 nan 0.000 0.459 259 A N 0.449 123.327 122.820 0.096 0.000 2.517 259 A HA 0.837 5.157 4.320 -0.000 0.000 0.297 259 A C -1.665 175.973 177.584 0.091 0.000 1.050 259 A CA -0.438 51.653 52.037 0.090 0.000 0.694 259 A CB 2.202 21.263 19.000 0.102 0.000 1.277 259 A HN 0.621 nan 8.150 nan 0.000 0.400 260 L N 1.657 122.930 121.223 0.083 0.000 2.482 260 L HA 0.743 5.083 4.340 -0.000 0.000 0.263 260 L C 0.264 177.206 176.870 0.122 0.000 0.957 260 L CA 0.191 55.088 54.840 0.095 0.000 0.836 260 L CB 2.380 44.454 42.059 0.026 0.000 1.324 260 L HN 0.993 nan 8.230 nan 0.000 0.406 261 T N -0.490 114.164 114.554 0.167 0.000 2.904 261 T HA 0.451 4.801 4.350 -0.000 0.000 0.290 261 T C 0.771 175.589 174.700 0.197 0.000 1.018 261 T CA 0.227 62.422 62.100 0.158 0.000 1.075 261 T CB 1.104 70.064 68.868 0.153 0.000 0.986 261 T HN 0.809 nan 8.240 nan 0.000 0.523 262 T N -2.549 112.090 114.554 0.143 0.000 3.004 262 T HA 0.256 4.606 4.350 -0.000 0.000 0.266 262 T C 0.994 175.745 174.700 0.085 0.000 0.986 262 T CA 0.226 62.408 62.100 0.137 0.000 0.902 262 T CB -0.218 68.715 68.868 0.108 0.000 1.118 262 T HN 0.942 nan 8.240 nan 0.000 0.522 263 T N 0.073 114.669 114.554 0.071 0.000 2.893 263 T HA 0.691 5.041 4.350 -0.000 0.000 0.279 263 T C 0.322 175.041 174.700 0.033 0.000 0.991 263 T CA -1.027 61.099 62.100 0.043 0.000 0.950 263 T CB 1.115 70.006 68.868 0.039 0.000 1.223 263 T HN 0.143 nan 8.240 nan 0.000 0.585 264 L N 0.343 121.577 121.223 0.018 0.000 3.202 264 L HA 0.458 4.798 4.340 -0.000 0.000 0.278 264 L C 0.182 177.055 176.870 0.006 0.000 1.268 264 L CA -0.383 54.461 54.840 0.006 0.000 1.034 264 L CB -0.093 41.963 42.059 -0.004 0.000 1.407 264 L HN 0.710 nan 8.230 nan 0.000 0.581 265 E N -1.077 119.131 120.200 0.014 0.000 2.412 265 E HA 0.311 4.661 4.350 -0.000 0.000 0.255 265 E C -1.023 175.585 176.600 0.014 0.000 0.933 265 E CA -1.147 55.259 56.400 0.011 0.000 0.823 265 E CB 1.032 30.740 29.700 0.013 0.000 1.352 265 E HN -0.076 nan 8.360 nan 0.000 0.406 266 D N 1.744 122.149 120.400 0.009 0.000 2.487 266 D HA 0.059 4.699 4.640 -0.000 0.000 0.243 266 D C -0.612 175.706 176.300 0.030 0.000 1.154 266 D CA 1.018 55.027 54.000 0.014 0.000 0.876 266 D CB 0.453 41.254 40.800 0.001 0.000 1.161 266 D HN 0.276 nan 8.370 nan 0.000 0.478 267 E N 1.179 121.407 120.200 0.047 0.000 2.321 267 E HA 0.348 4.698 4.350 -0.000 0.000 0.281 267 E C -1.704 174.938 176.600 0.069 0.000 0.910 267 E CA -0.679 55.754 56.400 0.055 0.000 0.770 267 E CB 1.627 31.362 29.700 0.058 0.000 1.225 267 E HN 0.075 nan 8.360 nan 0.000 0.417 268 V N 5.631 125.583 119.914 0.063 0.000 2.483 268 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 268 V C 0.152 176.280 176.094 0.056 0.000 1.035 268 V CA -0.511 61.825 62.300 0.060 0.000 0.896 268 V CB 1.212 33.065 31.823 0.050 0.000 0.986 268 V HN 0.538 nan 8.190 nan 0.000 0.447 269 I N 2.075 122.680 120.570 0.059 0.000 2.730 269 I HA 0.960 5.130 4.170 -0.000 0.000 0.298 269 I C -0.320 175.828 176.117 0.052 0.000 1.089 269 I CA -0.469 60.868 61.300 0.062 0.000 1.041 269 I CB 2.663 40.713 38.000 0.083 0.000 1.235 269 I HN 0.654 nan 8.210 nan 0.000 0.423 270 T N 1.366 115.948 114.554 0.048 0.000 2.896 270 T HA 0.914 5.264 4.350 -0.000 0.000 0.297 270 T C -0.806 173.919 174.700 0.042 0.000 1.108 270 T CA -0.703 61.418 62.100 0.036 0.000 1.004 270 T CB 1.982 70.862 68.868 0.019 0.000 1.159 270 T HN 1.344 nan 8.240 nan 0.000 0.499 271 A N 0.887 123.723 122.820 0.026 0.000 2.517 271 A HA 0.873 5.193 4.320 -0.000 0.000 0.297 271 A C -0.135 177.421 177.584 -0.047 0.000 1.050 271 A CA -0.618 51.436 52.037 0.028 0.000 0.694 271 A CB 1.141 20.195 19.000 0.091 0.000 1.277 271 A HN 1.705 nan 8.150 nan 0.000 0.400 272 A N 1.103 123.898 122.820 -0.042 0.000 2.450 272 A HA 0.557 4.877 4.320 -0.000 0.000 0.255 272 A C -0.199 177.220 177.584 -0.274 0.000 1.096 272 A CA 0.020 51.995 52.037 -0.103 0.000 0.778 272 A CB -0.012 18.967 19.000 -0.035 0.000 1.031 272 A HN 1.425 nan 8.150 nan 0.000 0.494 273 V N 3.550 123.200 119.914 -0.439 0.000 2.444 273 V HA 0.310 4.430 4.120 -0.000 0.000 0.294 273 V C -0.769 174.998 176.094 -0.545 0.000 1.022 273 V CA -0.584 61.150 62.300 -0.944 0.000 0.850 273 V CB 1.813 32.994 31.823 -1.070 0.000 0.992 273 V HN 0.954 nan 8.190 nan 0.000 0.426 274 D N 4.082 124.284 120.400 -0.330 0.000 2.427 274 D HA 0.357 4.997 4.640 -0.000 0.000 0.226 274 D C 0.918 177.309 176.300 0.152 0.000 1.076 274 D CA -0.334 53.669 54.000 0.005 0.000 0.849 274 D CB 1.608 42.507 40.800 0.165 0.000 1.052 274 D HN 0.393 nan 8.370 nan 0.000 0.515 275 L N 2.426 123.670 121.223 0.035 0.000 2.261 275 L HA -0.105 4.235 4.340 -0.000 0.000 0.216 275 L C 1.300 178.283 176.870 0.188 0.000 1.114 275 L CA 0.792 55.704 54.840 0.120 0.000 0.777 275 L CB -0.023 42.050 42.059 0.023 0.000 0.910 275 L HN 0.390 nan 8.230 nan 0.000 0.440 276 D N -0.335 120.154 120.400 0.149 0.000 2.347 276 D HA -0.118 4.522 4.640 -0.000 0.000 0.215 276 D C 2.152 178.540 176.300 0.146 0.000 0.976 276 D CA 0.416 54.488 54.000 0.120 0.000 0.884 276 D CB 0.092 40.940 40.800 0.081 0.000 0.915 276 D HN 0.100 nan 8.370 nan 0.000 0.526 277 R N 0.684 121.327 120.500 0.238 0.000 2.127 277 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 277 R C 2.021 178.365 176.300 0.073 0.000 1.134 277 R CA 0.981 57.188 56.100 0.178 0.000 0.975 277 R CB -0.854 29.615 30.300 0.281 0.000 0.865 277 R HN 0.127 nan 8.270 nan 0.000 0.447 278 C N 0.016 119.380 119.300 0.106 0.000 2.403 278 C HA -0.121 4.339 4.460 -0.000 0.000 0.279 278 C C 2.349 177.346 174.990 0.013 0.000 1.269 278 C CA 1.083 60.119 59.018 0.031 0.000 1.774 278 C CB -1.016 26.769 27.740 0.074 0.000 1.993 278 C HN 0.521 nan 8.230 nan 0.000 0.496 279 R N 0.899 121.420 120.500 0.035 0.000 2.127 279 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 279 R C 1.988 178.342 176.300 0.089 0.000 1.134 279 R CA 1.291 57.407 56.100 0.026 0.000 0.975 279 R CB -0.402 29.921 30.300 0.039 0.000 0.865 279 R HN 0.692 nan 8.270 nan 0.000 0.447 280 E N 0.157 120.416 120.200 0.098 0.000 2.209 280 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 280 E C 1.524 178.203 176.600 0.132 0.000 0.993 280 E CA 0.823 57.299 56.400 0.126 0.000 0.819 280 E CB 0.109 29.822 29.700 0.022 0.000 0.745 280 E HN 0.214 nan 8.360 nan 0.000 0.477 281 L N -0.344 120.915 121.223 0.060 0.000 2.347 281 L HA 0.078 4.418 4.340 -0.000 0.000 0.196 281 L C 2.036 178.914 176.870 0.013 0.000 1.072 281 L CA 0.723 55.577 54.840 0.024 0.000 0.817 281 L CB -0.896 41.205 42.059 0.069 0.000 1.029 281 L HN -0.012 nan 8.230 nan 0.000 0.478 282 R N 0.926 121.394 120.500 -0.053 0.000 2.285 282 R HA -0.064 4.276 4.340 -0.000 0.000 0.213 282 R C 1.113 177.300 176.300 -0.188 0.000 1.068 282 R CA 0.517 56.510 56.100 -0.178 0.000 1.004 282 R CB -0.111 30.039 30.300 -0.249 0.000 0.873 282 R HN 0.548 nan 8.270 nan 0.000 0.467 283 E N -1.230 118.842 120.200 -0.214 0.000 2.526 283 E HA 0.096 4.446 4.350 -0.000 0.000 0.208 283 E C 0.367 176.554 176.600 -0.688 0.000 0.997 283 E CA -0.031 56.117 56.400 -0.421 0.000 0.961 283 E CB 0.545 29.959 29.700 -0.476 0.000 1.030 283 E HN 0.376 nan 8.360 nan 0.000 0.483 284 H N -0.205 118.856 119.070 -0.014 0.000 5.310 284 H HA 0.185 4.741 4.556 0.000 0.000 0.095 284 H C 1.781 177.166 175.328 0.095 0.000 1.316 284 H CA -0.439 55.621 56.048 0.020 0.000 0.281 284 H CB -0.349 29.396 29.762 -0.028 0.000 1.682 284 H HN -0.084 nan 8.280 nan 0.000 0.128 285 I N 0.728 121.345 120.570 0.077 0.000 2.248 285 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 285 I C 0.442 176.526 176.117 -0.054 0.000 1.107 285 I CA 1.681 62.883 61.300 -0.162 0.000 1.373 285 I CB -0.013 37.669 38.000 -0.531 0.000 1.055 285 I HN 0.137 nan 8.210 nan 0.000 0.418 286 F N 0.438 120.462 119.950 0.123 0.000 2.963 286 F HA 0.230 4.757 4.527 0.000 0.000 0.321 286 F C 0.478 176.311 175.800 0.055 0.000 1.234 286 F CA -0.798 57.279 58.000 0.129 0.000 1.296 286 F CB -0.118 38.867 39.000 -0.024 0.000 0.981 286 F HN -0.002 nan 8.300 nan 0.000 0.507 287 N N 1.908 120.751 118.700 0.238 0.000 2.421 287 N HA 0.020 4.760 4.740 -0.000 0.000 0.260 287 N C 1.144 176.722 175.510 0.114 0.000 1.173 287 N CA 0.297 53.331 53.050 -0.026 0.000 0.960 287 N CB 0.001 38.348 38.487 -0.232 0.000 1.273 287 N HN 0.381 nan 8.380 nan 0.000 0.497 288 F N 1.955 121.917 119.950 0.020 0.000 2.043 288 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 288 F C 1.980 177.777 175.800 -0.005 0.000 1.118 288 F CA 0.929 58.949 58.000 0.033 0.000 1.202 288 F CB 0.057 39.072 39.000 0.025 0.000 0.965 288 F HN 0.386 nan 8.300 nan 0.000 0.482 289 K N 0.314 120.814 120.400 0.166 0.000 2.103 289 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 289 K C 1.850 178.443 176.600 -0.011 0.000 1.048 289 K CA 1.162 57.483 56.287 0.057 0.000 0.930 289 K CB -0.506 32.007 32.500 0.021 0.000 0.716 289 K HN 0.289 nan 8.250 nan 0.000 0.444 290 Q N -1.119 118.611 119.800 -0.117 0.000 2.245 290 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 290 Q C 1.016 176.930 176.000 -0.143 0.000 0.955 290 Q CA 1.337 57.007 55.803 -0.222 0.000 0.870 290 Q CB 0.185 28.652 28.738 -0.452 0.000 0.945 290 Q HN 0.617 nan 8.270 nan 0.000 0.461 291 H N -1.573 117.566 119.070 0.116 0.000 2.695 291 H HA 0.247 4.803 4.556 -0.000 0.000 0.267 291 H C 0.132 175.531 175.328 0.118 0.000 0.973 291 H CA -0.592 55.527 56.048 0.119 0.000 1.223 291 H CB 0.654 30.509 29.762 0.155 0.000 1.442 291 H HN -0.080 nan 8.280 nan 0.000 0.478 292 R N 1.850 122.488 120.500 0.230 0.000 2.734 292 R HA 0.064 4.404 4.340 -0.000 0.000 0.266 292 R C -0.239 176.087 176.300 0.043 0.000 1.044 292 R CA 0.252 56.459 56.100 0.179 0.000 1.128 292 R CB 0.446 30.824 30.300 0.130 0.000 1.010 292 R HN 0.241 nan 8.270 nan 0.000 0.461 293 Q N 2.551 122.287 119.800 -0.107 0.000 2.928 293 Q HA 0.154 4.494 4.340 -0.000 0.000 0.353 293 Q C -1.912 173.565 176.000 -0.871 0.000 0.870 293 Q CA -1.637 53.994 55.803 -0.287 0.000 0.963 293 Q CB 1.368 30.073 28.738 -0.054 0.000 1.419 293 Q HN 0.496 nan 8.270 nan 0.000 0.396 294 P HA -0.264 nan 4.420 nan 0.000 0.219 294 P C 1.108 178.086 177.300 -0.537 0.000 1.144 294 P CA 1.388 64.023 63.100 -0.775 0.000 0.806 294 P CB 0.274 31.831 31.700 -0.239 0.000 0.771 295 Q N -0.905 118.619 119.800 -0.460 0.000 2.364 295 Q HA -0.173 4.167 4.340 -0.000 0.000 0.209 295 Q C 1.053 176.769 176.000 -0.474 0.000 0.977 295 Q CA 1.370 56.927 55.803 -0.411 0.000 0.885 295 Q CB -1.078 27.393 28.738 -0.445 0.000 0.941 295 Q HN 0.488 nan 8.270 nan 0.000 0.464 296 H N -1.043 117.856 119.070 -0.284 0.000 2.594 296 H HA 0.132 4.688 4.556 0.000 0.000 0.279 296 H C 0.159 175.546 175.328 0.099 0.000 1.042 296 H CA -0.076 55.913 56.048 -0.098 0.000 1.177 296 H CB 0.514 30.238 29.762 -0.064 0.000 1.524 296 H HN 0.245 nan 8.280 nan 0.000 0.537 297 Y N -0.465 119.866 120.300 0.051 0.000 2.458 297 Y HA 0.257 4.807 4.550 0.000 0.000 0.256 297 Y C 2.338 178.244 175.900 0.010 0.000 1.159 297 Y CA -0.341 57.771 58.100 0.021 0.000 1.261 297 Y CB -0.401 38.050 38.460 -0.014 0.000 1.119 297 Y HN 0.135 nan 8.280 nan 0.000 0.524 298 G N 1.000 109.876 108.800 0.127 0.000 2.545 298 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.222 298 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.222 298 G C 1.733 176.678 174.900 0.075 0.000 1.126 298 G CA 1.252 46.396 45.100 0.073 0.000 0.754 298 G HN 0.398 nan 8.290 nan 0.000 0.583 299 L N 0.884 122.158 121.223 0.084 0.000 2.187 299 L HA 0.004 4.344 4.340 -0.000 0.000 0.213 299 L C 2.586 179.495 176.870 0.065 0.000 1.100 299 L CA 1.251 56.131 54.840 0.068 0.000 0.765 299 L CB -0.305 41.794 42.059 0.068 0.000 0.904 299 L HN 0.348 nan 8.230 nan 0.000 0.437 300 I N -0.649 119.965 120.570 0.073 0.000 2.394 300 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 300 I C 2.184 178.339 176.117 0.063 0.000 1.136 300 I CA 1.087 62.423 61.300 0.060 0.000 1.425 300 I CB -0.540 37.484 38.000 0.039 0.000 1.079 300 I HN 0.353 nan 8.210 nan 0.000 0.425 301 A N -0.162 122.696 122.820 0.063 0.000 2.308 301 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 301 A C 0.744 178.356 177.584 0.047 0.000 1.216 301 A CA -0.168 51.903 52.037 0.056 0.000 0.864 301 A CB -0.282 18.751 19.000 0.054 0.000 0.902 301 A HN 0.285 nan 8.150 nan 0.000 0.499 302 E N 0.917 121.144 120.200 0.046 0.000 2.376 302 E HA 0.221 4.571 4.350 -0.000 0.000 0.266 302 E C -0.268 176.354 176.600 0.036 0.000 1.009 302 E CA -0.328 56.094 56.400 0.038 0.000 0.902 302 E CB 0.619 30.342 29.700 0.038 0.000 0.972 302 E HN 0.207 nan 8.360 nan 0.000 0.439 303 L N 0.000 121.241 121.223 0.029 0.000 2.949 303 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 303 L CA 0.000 54.855 54.840 0.026 0.000 0.813 303 L CB 0.000 42.071 42.059 0.020 0.000 0.961 303 L HN 0.000 nan 8.230 nan 0.000 0.502