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 3m4z_1_A DATA FIRST_RESID 1 DATA SEQUENCE SRKKMGLLVM AYGTPYKEED IERYYTHIRR GRKPEPEMLQ DLKDRYEAIG DATA SEQUENCE GISPLAQITE QQAHNLEQHL NEIQDEITFK AYIGLKHIEP FIEDAVAEMH DATA SEQUENCE KDGITEAVSI VLAPHFSTFS VQSYNKRAKE EAEKLGGLTI TSVESWYDEP DATA SEQUENCE KFVTYWVDRV KETYASMPED ERENAMLIVS AHSLPEKIKE FGDPYPDQLH DATA SEQUENCE ESAKLIAEGA GVSEYAVGWQ SEGNTPDPWL GPDVQDLTRD LFEQKGYQAF DATA SEQUENCE VYVPVGFVAD HLEVLYDNDY ECKVVTDDIG ASYYRPEMPN AKPEFIDALA DATA SEQUENCE TVVLKKLGR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.574 174.600 -0.043 0.000 1.055 1 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2 R N 2.046 122.515 120.500 -0.051 0.000 2.490 2 R HA 0.454 3.621 4.340 -1.956 0.000 0.278 2 R C -0.259 175.990 176.300 -0.085 0.000 1.069 2 R CA -0.331 55.725 56.100 -0.072 0.000 1.080 2 R CB 0.772 31.024 30.300 -0.079 0.000 1.030 2 R HN 0.336 nan 8.270 nan 0.000 0.491 3 K N 2.447 122.781 120.400 -0.110 0.000 2.276 3 K HA 0.038 3.184 4.320 -1.956 0.000 0.283 3 K C -0.437 176.063 176.600 -0.166 0.000 1.044 3 K CA -0.372 55.842 56.287 -0.121 0.000 0.944 3 K CB 0.752 33.180 32.500 -0.121 0.000 1.012 3 K HN 0.182 nan 8.250 nan 0.000 0.472 4 K N 4.655 124.979 120.400 -0.126 0.000 2.234 4 K HA 0.241 3.387 4.320 -1.956 0.000 0.282 4 K C -0.883 175.637 176.600 -0.134 0.000 1.039 4 K CA 0.134 56.346 56.287 -0.125 0.000 0.928 4 K CB 0.723 33.185 32.500 -0.063 0.000 1.039 4 K HN 0.578 nan 8.250 nan 0.000 0.470 5 M N 2.728 122.225 119.600 -0.172 0.000 2.446 5 M HA 0.378 3.684 4.480 -1.956 0.000 0.294 5 M C -0.053 176.292 176.300 0.075 0.000 1.158 5 M CA -1.086 54.157 55.300 -0.094 0.000 0.899 5 M CB 2.374 34.850 32.600 -0.208 0.000 1.687 5 M HN 0.828 nan 8.290 nan 0.000 0.455 6 G N 1.666 110.541 108.800 0.125 0.000 2.467 6 G HA2 0.501 3.287 3.960 -1.956 0.000 0.257 6 G HA3 0.501 3.287 3.960 -1.956 0.000 0.257 6 G C -1.441 173.630 174.900 0.285 0.000 1.227 6 G CA -0.361 44.874 45.100 0.225 0.000 0.835 6 G HN 0.573 nan 8.290 nan 0.000 0.556 7 L N 3.045 124.464 121.223 0.326 0.000 2.324 7 L HA 0.512 3.678 4.340 -1.956 0.000 0.274 7 L C -0.795 176.189 176.870 0.190 0.000 1.012 7 L CA -1.003 53.967 54.840 0.218 0.000 0.859 7 L CB 1.453 43.586 42.059 0.123 0.000 1.224 7 L HN 0.360 nan 8.230 nan 0.000 0.429 8 L N 6.537 127.846 121.223 0.143 0.000 2.261 8 L HA 0.495 3.661 4.340 -1.956 0.000 0.289 8 L C -0.853 176.078 176.870 0.101 0.000 1.059 8 L CA 0.072 54.993 54.840 0.135 0.000 0.816 8 L CB 1.161 43.278 42.059 0.096 0.000 1.191 8 L HN 0.400 nan 8.230 nan 0.000 0.431 9 V N 7.077 127.052 119.914 0.102 0.000 2.347 9 V HA 0.442 3.388 4.120 -1.956 0.000 0.280 9 V C 0.346 176.500 176.094 0.099 0.000 1.021 9 V CA -0.360 61.989 62.300 0.082 0.000 0.847 9 V CB 1.122 32.980 31.823 0.060 0.000 0.990 9 V HN 0.764 nan 8.190 nan 0.000 0.444 10 M N 4.074 123.749 119.600 0.124 0.000 2.508 10 M HA 0.860 4.167 4.480 -1.956 0.000 0.327 10 M C -0.140 176.254 176.300 0.157 0.000 1.160 10 M CA -0.327 55.035 55.300 0.102 0.000 0.980 10 M CB 2.221 34.887 32.600 0.110 0.000 1.693 10 M HN 0.731 nan 8.290 nan 0.000 0.452 11 A N 0.890 123.752 122.820 0.071 0.000 2.588 11 A HA 0.442 3.588 4.320 -1.956 0.000 0.290 11 A C -0.648 177.004 177.584 0.113 0.000 1.136 11 A CA -0.624 51.530 52.037 0.195 0.000 0.681 11 A CB 0.352 19.494 19.000 0.237 0.000 1.282 11 A HN 0.877 nan 8.150 nan 0.000 0.421 12 Y N 1.010 121.410 120.300 0.166 0.000 2.165 12 Y HA 0.255 3.623 4.550 -1.970 0.000 0.286 12 Y C 1.390 177.364 175.900 0.123 0.000 1.155 12 Y CA 2.480 60.692 58.100 0.185 0.000 1.164 12 Y CB -0.144 38.519 38.460 0.338 0.000 0.978 12 Y HN 1.919 nan 8.280 nan 0.000 0.513 13 G N -0.689 108.260 108.800 0.248 0.000 2.629 13 G HA2 0.147 2.933 3.960 -1.956 0.000 0.686 13 G HA3 0.147 2.933 3.960 -1.956 0.000 0.686 13 G C -0.751 174.209 174.900 0.102 0.000 1.232 13 G CA -0.460 44.684 45.100 0.075 0.000 0.803 13 G HN 0.725 nan 8.290 nan 0.000 0.638 14 T N -0.643 113.716 114.554 -0.326 0.000 2.900 14 T HA 0.849 4.026 4.350 -1.956 0.000 0.303 14 T C -2.936 171.161 174.700 -1.005 0.000 1.142 14 T CA -1.251 60.433 62.100 -0.695 0.000 1.007 14 T CB 3.001 71.517 68.868 -0.586 0.000 1.156 14 T HN 0.687 nan 8.240 nan 0.000 0.490 15 P HA 0.181 nan 4.420 nan 0.000 0.270 15 P C -0.373 176.535 177.300 -0.653 0.000 1.223 15 P CA -0.267 62.352 63.100 -0.800 0.000 0.785 15 P CB 0.616 31.915 31.700 -0.670 0.000 0.923 16 Y N -0.106 120.050 120.300 -0.240 0.000 2.507 16 Y HA 0.142 3.521 4.550 -1.952 0.000 0.263 16 Y C 1.433 177.246 175.900 -0.145 0.000 1.093 16 Y CA 0.594 58.594 58.100 -0.166 0.000 1.285 16 Y CB 0.369 38.756 38.460 -0.121 0.000 1.115 16 Y HN 0.355 nan 8.280 nan 0.000 0.533 17 K N -1.067 119.318 120.400 -0.026 0.000 2.548 17 K HA 0.251 3.398 4.320 -1.956 0.000 0.282 17 K C 0.249 176.784 176.600 -0.109 0.000 1.006 17 K CA -0.688 55.567 56.287 -0.053 0.000 0.892 17 K CB 1.392 33.888 32.500 -0.006 0.000 1.499 17 K HN -0.088 nan 8.250 nan 0.000 0.433 18 E N 0.685 120.829 120.200 -0.092 0.000 2.130 18 E HA -0.229 2.947 4.350 -1.956 0.000 0.196 18 E C 0.689 177.258 176.600 -0.051 0.000 0.998 18 E CA 1.978 58.323 56.400 -0.091 0.000 0.806 18 E CB 0.121 29.792 29.700 -0.049 0.000 0.738 18 E HN 0.611 nan 8.360 nan 0.000 0.459 19 E N 0.422 120.608 120.200 -0.024 0.000 2.418 19 E HA -0.120 3.056 4.350 -1.956 0.000 0.197 19 E C 1.062 177.676 176.600 0.022 0.000 1.026 19 E CA 0.859 57.261 56.400 0.004 0.000 0.862 19 E CB 0.120 29.825 29.700 0.009 0.000 0.799 19 E HN 0.279 nan 8.360 nan 0.000 0.518 20 D N -0.225 120.177 120.400 0.004 0.000 2.323 20 D HA 0.016 3.482 4.640 -1.956 0.000 0.209 20 D C 1.622 177.964 176.300 0.070 0.000 0.973 20 D CA 0.281 54.298 54.000 0.030 0.000 0.874 20 D CB 0.071 40.862 40.800 -0.015 0.000 0.930 20 D HN 0.229 nan 8.370 nan 0.000 0.521 21 I N 1.040 121.642 120.570 0.053 0.000 2.163 21 I HA -0.280 2.716 4.170 -1.956 0.000 0.243 21 I C 2.456 178.773 176.117 0.332 0.000 1.085 21 I CA 1.217 62.639 61.300 0.202 0.000 1.347 21 I CB -0.160 37.918 38.000 0.130 0.000 1.044 21 I HN 0.041 nan 8.210 nan 0.000 0.408 22 E N 1.804 122.121 120.200 0.195 0.000 2.038 22 E HA -0.295 2.881 4.350 -1.956 0.000 0.195 22 E C 2.382 179.106 176.600 0.207 0.000 1.000 22 E CA 1.904 58.412 56.400 0.181 0.000 0.803 22 E CB -0.091 29.675 29.700 0.109 0.000 0.750 22 E HN 0.500 nan 8.360 nan 0.000 0.448 23 R N -0.597 120.016 120.500 0.187 0.000 2.115 23 R HA -0.177 2.989 4.340 -1.956 0.000 0.230 23 R C 2.408 178.846 176.300 0.231 0.000 1.111 23 R CA 1.441 57.655 56.100 0.190 0.000 0.976 23 R CB -0.933 29.470 30.300 0.171 0.000 0.870 23 R HN 0.294 nan 8.270 nan 0.000 0.445 24 Y N 1.164 121.514 120.300 0.083 0.000 2.114 24 Y HA -0.218 3.163 4.550 -1.948 0.000 0.284 24 Y C 1.629 177.487 175.900 -0.070 0.000 1.143 24 Y CA 1.430 59.517 58.100 -0.021 0.000 1.135 24 Y CB -0.398 37.990 38.460 -0.120 0.000 0.980 24 Y HN -0.047 nan 8.280 nan 0.000 0.499 25 Y N -0.169 120.164 120.300 0.054 0.000 2.373 25 Y HA -0.157 3.206 4.550 -1.978 0.000 0.293 25 Y C 2.597 178.483 175.900 -0.022 0.000 1.129 25 Y CA 1.682 59.756 58.100 -0.043 0.000 1.226 25 Y CB -0.733 37.772 38.460 0.075 0.000 1.000 25 Y HN 0.083 nan 8.280 nan 0.000 0.549 26 T N -1.162 113.491 114.554 0.164 0.000 2.684 26 T HA -0.265 2.911 4.350 -1.956 0.000 0.267 26 T C 1.798 176.537 174.700 0.064 0.000 1.036 26 T CA 1.827 63.992 62.100 0.109 0.000 1.148 26 T CB -0.440 68.495 68.868 0.112 0.000 0.863 26 T HN 0.470 nan 8.240 nan 0.000 0.436 27 H N 0.875 119.934 119.070 -0.018 0.000 2.321 27 H HA 0.025 3.404 4.556 -1.961 0.000 0.300 27 H C 2.341 177.618 175.328 -0.085 0.000 1.087 27 H CA 1.405 57.452 56.048 -0.002 0.000 1.319 27 H CB -0.483 29.327 29.762 0.079 0.000 1.379 27 H HN 0.333 nan 8.280 nan 0.000 0.501 28 I N 0.551 120.992 120.570 -0.215 0.000 2.194 28 I HA -0.261 2.736 4.170 -1.956 0.000 0.246 28 I C 1.986 178.076 176.117 -0.045 0.000 1.093 28 I CA 1.361 62.418 61.300 -0.405 0.000 1.355 28 I CB -0.131 37.521 38.000 -0.580 0.000 1.046 28 I HN 0.104 nan 8.210 nan 0.000 0.413 29 R N 0.676 121.182 120.500 0.011 0.000 2.363 29 R HA 0.185 3.351 4.340 -1.956 0.000 0.236 29 R C -0.129 176.198 176.300 0.045 0.000 0.966 29 R CA -0.090 56.052 56.100 0.071 0.000 1.100 29 R CB 0.018 30.373 30.300 0.093 0.000 1.125 29 R HN 0.187 nan 8.270 nan 0.000 0.514 30 R N -0.448 120.054 120.500 0.004 0.000 3.336 30 R HA -0.209 2.958 4.340 -1.956 0.000 0.260 30 R C 0.602 176.879 176.300 -0.039 0.000 1.032 30 R CA 0.331 56.410 56.100 -0.035 0.000 0.693 30 R CB -2.158 28.149 30.300 0.011 0.000 1.134 30 R HN 0.658 nan 8.270 nan 0.000 0.433 31 G N -0.619 108.153 108.800 -0.047 0.000 2.175 31 G HA2 -0.339 2.447 3.960 -1.956 0.000 0.244 31 G HA3 -0.339 2.447 3.960 -1.956 0.000 0.244 31 G C -0.010 174.895 174.900 0.008 0.000 0.982 31 G CA 0.238 45.322 45.100 -0.026 0.000 0.641 31 G HN 0.288 nan 8.290 nan 0.000 0.527 32 R N 0.956 121.470 120.500 0.024 0.000 2.230 32 R HA 0.494 3.660 4.340 -1.956 0.000 0.337 32 R C 0.455 176.785 176.300 0.051 0.000 1.063 32 R CA -0.416 55.706 56.100 0.036 0.000 0.935 32 R CB 0.896 31.221 30.300 0.042 0.000 1.121 32 R HN 0.347 nan 8.270 nan 0.000 0.486 33 K N 4.378 124.806 120.400 0.048 0.000 2.447 33 K HA 0.105 3.251 4.320 -1.956 0.000 0.281 33 K C -2.012 174.620 176.600 0.052 0.000 1.031 33 K CA -1.371 54.951 56.287 0.058 0.000 1.019 33 K CB 0.467 32.995 32.500 0.047 0.000 0.918 33 K HN 0.224 nan 8.250 nan 0.000 0.476 34 P HA -0.014 nan 4.420 nan 0.000 0.268 34 P C -0.779 176.532 177.300 0.017 0.000 1.205 34 P CA -0.050 63.069 63.100 0.032 0.000 0.771 34 P CB 0.521 32.230 31.700 0.016 0.000 0.858 35 E N 3.924 124.127 120.200 0.005 0.000 2.422 35 E HA -0.015 3.161 4.350 -1.956 0.000 0.260 35 E C -1.465 175.130 176.600 -0.007 0.000 1.108 35 E CA -1.391 55.010 56.400 0.000 0.000 0.943 35 E CB -0.577 29.121 29.700 -0.003 0.000 0.961 35 E HN 0.317 nan 8.360 nan 0.000 0.443 36 P HA -0.155 nan 4.420 nan 0.000 0.215 36 P C 0.932 178.220 177.300 -0.019 0.000 1.153 36 P CA 1.272 64.367 63.100 -0.008 0.000 0.853 36 P CB 0.334 32.031 31.700 -0.005 0.000 0.788 37 E N -0.974 119.213 120.200 -0.022 0.000 2.110 37 E HA -0.168 3.008 4.350 -1.956 0.000 0.193 37 E C 1.956 178.528 176.600 -0.048 0.000 0.988 37 E CA 0.989 57.370 56.400 -0.031 0.000 0.804 37 E CB -0.743 28.941 29.700 -0.026 0.000 0.745 37 E HN 0.330 nan 8.360 nan 0.000 0.458 38 M N 0.453 120.022 119.600 -0.051 0.000 2.132 38 M HA -0.137 3.169 4.480 -1.956 0.000 0.263 38 M C 2.174 178.411 176.300 -0.104 0.000 1.065 38 M CA 1.189 56.440 55.300 -0.083 0.000 1.122 38 M CB -0.028 32.525 32.600 -0.078 0.000 1.365 38 M HN 0.038 nan 8.290 nan 0.000 0.411 39 L N 0.036 121.217 121.223 -0.069 0.000 2.042 39 L HA -0.281 2.885 4.340 -1.956 0.000 0.210 39 L C 2.521 179.359 176.870 -0.053 0.000 1.076 39 L CA 1.708 56.515 54.840 -0.055 0.000 0.749 39 L CB -0.814 41.236 42.059 -0.014 0.000 0.893 39 L HN 0.444 nan 8.230 nan 0.000 0.432 40 Q N -0.527 119.245 119.800 -0.047 0.000 2.084 40 Q HA -0.247 2.919 4.340 -1.956 0.000 0.202 40 Q C 1.897 177.857 176.000 -0.068 0.000 0.978 40 Q CA 1.790 57.566 55.803 -0.045 0.000 0.844 40 Q CB -0.172 28.544 28.738 -0.037 0.000 0.898 40 Q HN 0.400 nan 8.270 nan 0.000 0.426 41 D N 0.613 120.959 120.400 -0.090 0.000 2.104 41 D HA -0.166 3.300 4.640 -1.956 0.000 0.194 41 D C 1.761 177.955 176.300 -0.177 0.000 0.994 41 D CA 1.161 55.084 54.000 -0.128 0.000 0.830 41 D CB -0.142 40.582 40.800 -0.126 0.000 0.959 41 D HN 0.158 nan 8.370 nan 0.000 0.452 42 L N 0.009 121.127 121.223 -0.174 0.000 2.012 42 L HA -0.176 2.990 4.340 -1.956 0.000 0.210 42 L C 2.655 179.526 176.870 0.001 0.000 1.073 42 L CA 1.385 56.125 54.840 -0.166 0.000 0.748 42 L CB -0.384 41.544 42.059 -0.219 0.000 0.891 42 L HN 0.023 nan 8.230 nan 0.000 0.431 43 K N -0.207 120.203 120.400 0.017 0.000 2.063 43 K HA -0.204 2.943 4.320 -1.956 0.000 0.208 43 K C 1.765 178.372 176.600 0.012 0.000 1.048 43 K CA 1.693 58.012 56.287 0.054 0.000 0.928 43 K CB -0.268 32.239 32.500 0.011 0.000 0.713 43 K HN 0.262 nan 8.250 nan 0.000 0.442 44 D N 0.353 120.715 120.400 -0.063 0.000 2.149 44 D HA -0.128 3.338 4.640 -1.956 0.000 0.198 44 D C 1.953 178.149 176.300 -0.174 0.000 0.990 44 D CA 1.110 55.049 54.000 -0.100 0.000 0.839 44 D CB -0.036 40.694 40.800 -0.116 0.000 0.948 44 D HN 0.175 nan 8.370 nan 0.000 0.460 45 R N -0.622 119.687 120.500 -0.319 0.000 2.075 45 R HA -0.112 3.054 4.340 -1.956 0.000 0.232 45 R C 2.317 178.379 176.300 -0.397 0.000 1.126 45 R CA 0.821 56.545 56.100 -0.627 0.000 0.963 45 R CB -0.344 29.341 30.300 -1.025 0.000 0.858 45 R HN 0.290 nan 8.270 nan 0.000 0.435 46 Y N 0.984 121.174 120.300 -0.183 0.000 2.242 46 Y HA -0.187 3.188 4.550 -1.958 0.000 0.291 46 Y C 2.463 178.328 175.900 -0.058 0.000 1.137 46 Y CA 1.368 59.415 58.100 -0.089 0.000 1.181 46 Y CB -0.247 38.176 38.460 -0.062 0.000 0.989 46 Y HN 0.165 nan 8.280 nan 0.000 0.527 47 E N 0.030 120.276 120.200 0.078 0.000 2.077 47 E HA -0.240 2.936 4.350 -1.956 0.000 0.193 47 E C 2.351 178.960 176.600 0.016 0.000 0.989 47 E CA 1.062 57.483 56.400 0.036 0.000 0.800 47 E CB -0.197 29.508 29.700 0.008 0.000 0.746 47 E HN 0.414 nan 8.360 nan 0.000 0.452 48 A N 1.381 124.192 122.820 -0.015 0.000 1.978 48 A HA -0.160 2.986 4.320 -1.956 0.000 0.220 48 A C 2.140 179.744 177.584 0.034 0.000 1.170 48 A CA 1.508 53.544 52.037 -0.002 0.000 0.636 48 A CB -0.793 18.205 19.000 -0.002 0.000 0.810 48 A HN 0.537 nan 8.150 nan 0.000 0.448 49 I N -4.775 115.823 120.570 0.047 0.000 3.735 49 I HA 0.496 3.492 4.170 -1.956 0.000 0.310 49 I C 1.069 177.228 176.117 0.069 0.000 1.270 49 I CA 0.695 62.035 61.300 0.068 0.000 1.207 49 I CB -0.033 38.012 38.000 0.075 0.000 1.013 49 I HN 0.329 nan 8.210 nan 0.000 0.452 50 G N 0.358 109.194 108.800 0.060 0.000 2.163 50 G HA2 0.109 2.896 3.960 -1.956 0.000 0.213 50 G HA3 0.109 2.896 3.960 -1.956 0.000 0.213 50 G C 0.582 175.520 174.900 0.063 0.000 0.991 50 G CA -0.337 44.796 45.100 0.055 0.000 0.653 50 G HN 1.586 nan 8.290 nan 0.000 0.518 51 G N -1.543 107.308 108.800 0.086 0.000 2.570 51 G HA2 0.160 2.946 3.960 -1.956 0.000 0.686 51 G HA3 0.160 2.946 3.960 -1.956 0.000 0.686 51 G C 0.563 175.519 174.900 0.094 0.000 1.257 51 G CA -0.086 45.061 45.100 0.078 0.000 0.846 51 G HN 0.901 nan 8.290 nan 0.000 0.627 52 I N 0.932 121.516 120.570 0.024 0.000 2.400 52 I HA -0.045 2.952 4.170 -1.956 0.000 0.248 52 I C 3.004 179.093 176.117 -0.047 0.000 1.109 52 I CA 1.736 62.998 61.300 -0.063 0.000 1.425 52 I CB -0.297 37.549 38.000 -0.256 0.000 1.094 52 I HN 0.780 nan 8.210 nan 0.000 0.425 53 S N 1.389 117.075 115.700 -0.023 0.000 2.400 53 S HA -0.088 3.208 4.470 -1.956 0.000 0.232 53 S C -0.362 174.254 174.600 0.027 0.000 1.025 53 S CA 0.966 59.167 58.200 0.002 0.000 0.993 53 S CB -1.928 61.281 63.200 0.015 0.000 0.808 53 S HN 0.259 nan 8.310 nan 0.000 0.478 54 P HA 0.076 nan 4.420 nan 0.000 0.223 54 P C 1.418 178.776 177.300 0.097 0.000 1.151 54 P CA 0.593 63.732 63.100 0.065 0.000 0.787 54 P CB -0.183 31.559 31.700 0.070 0.000 0.788 55 L N -0.531 120.747 121.223 0.092 0.000 1.970 55 L HA -0.195 2.971 4.340 -1.956 0.000 0.212 55 L C 2.450 179.384 176.870 0.107 0.000 1.071 55 L CA 1.999 56.921 54.840 0.137 0.000 0.751 55 L CB -1.527 40.524 42.059 -0.012 0.000 0.889 55 L HN -0.041 nan 8.230 nan 0.000 0.432 56 A N -0.653 122.139 122.820 -0.046 0.000 2.067 56 A HA -0.224 2.922 4.320 -1.956 0.000 0.219 56 A C 2.186 179.823 177.584 0.088 0.000 1.158 56 A CA 1.473 53.480 52.037 -0.049 0.000 0.661 56 A CB -0.438 18.448 19.000 -0.189 0.000 0.801 56 A HN 0.442 nan 8.150 nan 0.000 0.452 57 Q N 0.449 120.305 119.800 0.094 0.000 2.170 57 Q HA -0.087 3.079 4.340 -1.956 0.000 0.203 57 Q C 1.595 177.654 176.000 0.097 0.000 0.976 57 Q CA 1.774 57.629 55.803 0.086 0.000 0.858 57 Q CB -0.570 28.205 28.738 0.062 0.000 0.907 57 Q HN 0.699 nan 8.270 nan 0.000 0.433 58 I N -0.340 120.313 120.570 0.137 0.000 2.226 58 I HA -0.280 2.716 4.170 -1.956 0.000 0.245 58 I C 1.986 178.192 176.117 0.149 0.000 1.100 58 I CA 1.606 62.987 61.300 0.135 0.000 1.374 58 I CB -0.567 37.514 38.000 0.134 0.000 1.057 58 I HN 0.195 nan 8.210 nan 0.000 0.413 59 T N -0.195 114.475 114.554 0.193 0.000 2.746 59 T HA -0.220 2.956 4.350 -1.956 0.000 0.267 59 T C 1.795 176.575 174.700 0.134 0.000 1.039 59 T CA 1.662 63.872 62.100 0.184 0.000 1.142 59 T CB -0.243 68.743 68.868 0.196 0.000 0.866 59 T HN 0.282 nan 8.240 nan 0.000 0.444 60 E N 1.304 121.572 120.200 0.114 0.000 2.058 60 E HA -0.182 2.995 4.350 -1.956 0.000 0.194 60 E C 2.253 178.904 176.600 0.085 0.000 0.997 60 E CA 1.472 57.925 56.400 0.088 0.000 0.801 60 E CB -0.338 29.401 29.700 0.067 0.000 0.746 60 E HN 0.382 nan 8.360 nan 0.000 0.450 61 Q N 0.017 119.860 119.800 0.071 0.000 2.119 61 Q HA -0.113 3.054 4.340 -1.956 0.000 0.201 61 Q C 2.127 178.195 176.000 0.114 0.000 0.972 61 Q CA 1.792 57.635 55.803 0.067 0.000 0.847 61 Q CB -0.042 28.721 28.738 0.042 0.000 0.903 61 Q HN 0.426 nan 8.270 nan 0.000 0.433 62 Q N -0.891 118.975 119.800 0.111 0.000 2.050 62 Q HA -0.134 3.033 4.340 -1.956 0.000 0.202 62 Q C 2.069 178.102 176.000 0.056 0.000 0.980 62 Q CA 1.376 57.239 55.803 0.101 0.000 0.840 62 Q CB -0.279 28.550 28.738 0.153 0.000 0.898 62 Q HN 0.490 nan 8.270 nan 0.000 0.424 63 A N 0.540 123.404 122.820 0.074 0.000 1.883 63 A HA -0.274 2.873 4.320 -1.956 0.000 0.217 63 A C 1.800 179.414 177.584 0.049 0.000 1.186 63 A CA 2.011 54.075 52.037 0.046 0.000 0.624 63 A CB -0.911 18.127 19.000 0.062 0.000 0.822 63 A HN 0.555 nan 8.150 nan 0.000 0.444 64 H N -0.052 119.012 119.070 -0.011 0.000 2.326 64 H HA -0.096 3.286 4.556 -1.957 0.000 0.301 64 H C 1.936 177.256 175.328 -0.013 0.000 1.081 64 H CA 1.996 58.036 56.048 -0.014 0.000 1.334 64 H CB -0.087 29.672 29.762 -0.005 0.000 1.385 64 H HN 0.412 nan 8.280 nan 0.000 0.504 65 N N 0.340 119.121 118.700 0.136 0.000 2.188 65 N HA -0.120 3.446 4.740 -1.956 0.000 0.184 65 N C 1.919 177.405 175.510 -0.041 0.000 1.018 65 N CA 0.987 54.066 53.050 0.048 0.000 0.858 65 N CB -0.406 38.125 38.487 0.074 0.000 0.989 65 N HN 0.342 nan 8.380 nan 0.000 0.426 66 L N 1.718 122.900 121.223 -0.069 0.000 2.017 66 L HA -0.087 3.079 4.340 -1.956 0.000 0.208 66 L C 2.151 178.941 176.870 -0.133 0.000 1.073 66 L CA 1.752 56.517 54.840 -0.124 0.000 0.745 66 L CB -0.817 41.132 42.059 -0.183 0.000 0.894 66 L HN 0.217 nan 8.230 nan 0.000 0.432 67 E N -0.859 119.263 120.200 -0.129 0.000 2.049 67 E HA -0.347 2.829 4.350 -1.956 0.000 0.198 67 E C 2.202 178.748 176.600 -0.090 0.000 1.007 67 E CA 1.895 58.229 56.400 -0.110 0.000 0.809 67 E CB -0.230 29.409 29.700 -0.102 0.000 0.749 67 E HN 0.714 nan 8.360 nan 0.000 0.450 68 Q N -0.483 119.231 119.800 -0.143 0.000 2.084 68 Q HA -0.221 2.945 4.340 -1.956 0.000 0.202 68 Q C 2.264 178.254 176.000 -0.016 0.000 0.978 68 Q CA 1.529 57.269 55.803 -0.105 0.000 0.844 68 Q CB -0.209 28.427 28.738 -0.170 0.000 0.898 68 Q HN 0.469 nan 8.270 nan 0.000 0.426 69 H N 0.006 119.013 119.070 -0.106 0.000 2.326 69 H HA -0.090 3.292 4.556 -1.956 0.000 0.301 69 H C 2.114 177.394 175.328 -0.079 0.000 1.081 69 H CA 1.408 57.404 56.048 -0.086 0.000 1.334 69 H CB 0.047 29.748 29.762 -0.101 0.000 1.385 69 H HN 0.291 nan 8.280 nan 0.000 0.504 70 L N 0.836 121.975 121.223 -0.140 0.000 2.043 70 L HA -0.250 2.917 4.340 -1.956 0.000 0.212 70 L C 2.287 179.157 176.870 -0.000 0.000 1.075 70 L CA 1.279 56.019 54.840 -0.167 0.000 0.752 70 L CB -0.390 41.442 42.059 -0.379 0.000 0.891 70 L HN 0.319 nan 8.230 nan 0.000 0.432 71 N N -0.398 118.329 118.700 0.045 0.000 2.309 71 N HA -0.158 3.408 4.740 -1.956 0.000 0.182 71 N C 1.697 177.199 175.510 -0.013 0.000 1.018 71 N CA 0.989 54.077 53.050 0.063 0.000 0.876 71 N CB -0.036 38.481 38.487 0.050 0.000 0.972 71 N HN 0.455 nan 8.380 nan 0.000 0.434 72 E N 0.294 120.451 120.200 -0.071 0.000 2.112 72 E HA -0.010 3.166 4.350 -1.956 0.000 0.190 72 E C 1.789 178.318 176.600 -0.119 0.000 0.979 72 E CA 0.552 56.901 56.400 -0.086 0.000 0.814 72 E CB 0.078 29.728 29.700 -0.082 0.000 0.762 72 E HN 0.503 nan 8.360 nan 0.000 0.460 73 I N -0.825 119.623 120.570 -0.204 0.000 3.578 73 I HA 0.026 3.022 4.170 -1.956 0.000 0.295 73 I C 0.091 176.153 176.117 -0.093 0.000 1.280 73 I CA -0.224 60.962 61.300 -0.189 0.000 1.347 73 I CB 0.154 37.957 38.000 -0.328 0.000 1.051 73 I HN -0.096 nan 8.210 nan 0.000 0.460 74 Q N -0.397 119.371 119.800 -0.052 0.000 2.511 74 Q HA 0.436 3.602 4.340 -1.956 0.000 0.289 74 Q C -1.121 174.873 176.000 -0.011 0.000 1.021 74 Q CA -0.727 55.066 55.803 -0.017 0.000 0.785 74 Q CB 1.174 29.920 28.738 0.013 0.000 1.472 74 Q HN 0.026 nan 8.270 nan 0.000 0.411 75 D N -0.283 120.108 120.400 -0.015 0.000 2.503 75 D HA 0.120 3.587 4.640 -1.956 0.000 0.218 75 D C -0.029 176.250 176.300 -0.035 0.000 1.183 75 D CA 0.171 54.157 54.000 -0.023 0.000 0.827 75 D CB 0.771 41.558 40.800 -0.022 0.000 1.034 75 D HN 0.702 nan 8.370 nan 0.000 0.510 76 E N 0.169 120.346 120.200 -0.040 0.000 2.251 76 E HA 0.197 3.373 4.350 -1.956 0.000 0.194 76 E C 0.563 177.099 176.600 -0.106 0.000 0.964 76 E CA 0.487 56.852 56.400 -0.058 0.000 0.868 76 E CB 1.462 31.136 29.700 -0.045 0.000 0.828 76 E HN 0.189 nan 8.360 nan 0.000 0.481 77 I N 0.984 121.463 120.570 -0.152 0.000 2.509 77 I HA 0.204 3.200 4.170 -1.956 0.000 0.293 77 I C -0.583 175.337 176.117 -0.329 0.000 1.020 77 I CA -0.631 60.470 61.300 -0.331 0.000 1.088 77 I CB 2.405 40.036 38.000 -0.614 0.000 1.267 77 I HN -0.222 nan 8.210 nan 0.000 0.430 78 T N 5.544 119.904 114.554 -0.322 0.000 2.756 78 T HA 0.510 3.686 4.350 -1.956 0.000 0.290 78 T C -0.492 174.051 174.700 -0.262 0.000 0.985 78 T CA -0.283 61.697 62.100 -0.200 0.000 0.955 78 T CB 0.195 69.004 68.868 -0.098 0.000 0.930 78 T HN 0.093 nan 8.240 nan 0.000 0.451 79 F N 2.535 122.473 119.950 -0.021 0.000 2.385 79 F HA 0.607 3.961 4.527 -1.956 0.000 0.336 79 F C 0.607 176.402 175.800 -0.008 0.000 1.100 79 F CA -0.985 57.011 58.000 -0.006 0.000 1.116 79 F CB 1.242 40.230 39.000 -0.020 0.000 1.166 79 F HN 0.236 nan 8.300 nan 0.000 0.511 80 K N 2.374 122.910 120.400 0.228 0.000 2.502 80 K HA 0.712 3.858 4.320 -1.956 0.000 0.254 80 K C -1.080 175.588 176.600 0.114 0.000 0.947 80 K CA -0.439 55.912 56.287 0.108 0.000 0.834 80 K CB 1.301 33.866 32.500 0.108 0.000 1.112 80 K HN 0.651 nan 8.250 nan 0.000 0.427 81 A N 4.135 126.942 122.820 -0.021 0.000 2.401 81 A HA 0.487 3.633 4.320 -1.956 0.000 0.259 81 A C -1.183 176.291 177.584 -0.183 0.000 1.103 81 A CA 0.049 52.081 52.037 -0.009 0.000 0.789 81 A CB -0.117 18.868 19.000 -0.026 0.000 1.035 81 A HN 0.671 nan 8.150 nan 0.000 0.491 82 Y N 1.218 121.546 120.300 0.045 0.000 2.373 82 Y HA 0.465 3.841 4.550 -1.957 0.000 0.336 82 Y C -0.029 175.895 175.900 0.039 0.000 0.979 82 Y CA -0.480 57.646 58.100 0.042 0.000 1.080 82 Y CB 1.789 40.276 38.460 0.044 0.000 1.190 82 Y HN 0.536 nan 8.280 nan 0.000 0.446 83 I N 3.067 123.731 120.570 0.155 0.000 2.342 83 I HA 0.552 3.549 4.170 -1.956 0.000 0.291 83 I C 0.501 176.672 176.117 0.089 0.000 1.010 83 I CA -0.284 61.078 61.300 0.105 0.000 1.308 83 I CB 1.180 39.226 38.000 0.077 0.000 1.400 83 I HN 0.810 nan 8.210 nan 0.000 0.488 84 G N 7.312 116.146 108.800 0.057 0.000 2.609 84 G HA2 0.714 3.500 3.960 -1.956 0.000 0.308 84 G HA3 0.714 3.500 3.960 -1.956 0.000 0.308 84 G C -0.983 173.874 174.900 -0.071 0.000 1.369 84 G CA -0.435 44.671 45.100 0.010 0.000 0.958 84 G HN 0.402 nan 8.290 nan 0.000 0.499 85 L N 1.467 122.614 121.223 -0.127 0.000 2.319 85 L HA 0.509 3.676 4.340 -1.956 0.000 0.267 85 L C 1.255 177.945 176.870 -0.300 0.000 1.011 85 L CA -1.104 53.605 54.840 -0.219 0.000 0.818 85 L CB 2.333 44.264 42.059 -0.214 0.000 1.316 85 L HN 0.581 nan 8.230 nan 0.000 0.432 86 K N 0.288 120.409 120.400 -0.464 0.000 2.098 86 K HA -0.022 3.124 4.320 -1.956 0.000 0.203 86 K C 1.247 177.507 176.600 -0.568 0.000 1.051 86 K CA 1.770 57.690 56.287 -0.611 0.000 0.957 86 K CB 0.057 31.995 32.500 -0.936 0.000 0.738 86 K HN 0.653 nan 8.250 nan 0.000 0.447 87 H N -1.432 117.401 119.070 -0.395 0.000 2.672 87 H HA 0.446 3.831 4.556 -1.951 0.000 0.277 87 H C -0.625 174.430 175.328 -0.454 0.000 1.074 87 H CA -0.161 55.541 56.048 -0.577 0.000 1.173 87 H CB 1.000 30.394 29.762 -0.614 0.000 1.558 87 H HN 0.053 nan 8.280 nan 0.000 0.539 88 I N 1.110 121.364 120.570 -0.526 0.000 2.984 88 I HA 0.093 3.089 4.170 -1.956 0.000 0.303 88 I C -1.152 174.217 176.117 -1.247 0.000 1.381 88 I CA -1.169 59.748 61.300 -0.638 0.000 0.988 88 I CB 1.723 39.622 38.000 -0.168 0.000 1.307 88 I HN 0.026 nan 8.210 nan 0.000 0.460 89 E N 6.482 126.088 120.200 -0.990 0.000 2.398 89 E HA 0.251 3.427 4.350 -1.956 0.000 0.263 89 E C -2.646 173.824 176.600 -0.217 0.000 1.046 89 E CA -1.521 54.480 56.400 -0.664 0.000 0.908 89 E CB 0.199 29.773 29.700 -0.209 0.000 0.963 89 E HN 0.207 nan 8.360 nan 0.000 0.431 90 P HA 0.132 nan 4.420 nan 0.000 0.276 90 P C -0.747 176.454 177.300 -0.164 0.000 1.253 90 P CA -0.163 62.873 63.100 -0.106 0.000 0.766 90 P CB -0.019 31.680 31.700 -0.001 0.000 0.845 91 F N 2.105 122.042 119.950 -0.021 0.000 2.440 91 F HA 0.121 3.472 4.527 -1.961 0.000 0.323 91 F C 2.424 178.188 175.800 -0.060 0.000 1.192 91 F CA -0.137 57.821 58.000 -0.069 0.000 1.252 91 F CB -0.131 38.829 39.000 -0.068 0.000 1.214 91 F HN 0.251 nan 8.300 nan 0.000 0.578 92 I N 0.323 120.964 120.570 0.120 0.000 2.151 92 I HA -0.301 2.695 4.170 -1.956 0.000 0.243 92 I C 1.939 178.086 176.117 0.050 0.000 1.080 92 I CA 1.557 62.877 61.300 0.034 0.000 1.339 92 I CB -0.354 37.632 38.000 -0.024 0.000 1.039 92 I HN 0.635 nan 8.210 nan 0.000 0.409 93 E N 0.876 121.108 120.200 0.054 0.000 2.118 93 E HA -0.223 2.953 4.350 -1.956 0.000 0.195 93 E C 1.766 178.391 176.600 0.042 0.000 0.992 93 E CA 1.372 57.787 56.400 0.025 0.000 0.804 93 E CB -0.294 29.402 29.700 -0.006 0.000 0.741 93 E HN 0.461 nan 8.360 nan 0.000 0.458 94 D N 0.105 120.561 120.400 0.094 0.000 2.117 94 D HA -0.127 3.339 4.640 -1.956 0.000 0.197 94 D C 1.839 178.184 176.300 0.074 0.000 0.987 94 D CA 1.483 55.540 54.000 0.094 0.000 0.829 94 D CB -0.358 40.525 40.800 0.139 0.000 0.961 94 D HN 0.230 nan 8.370 nan 0.000 0.460 95 A N 0.721 123.587 122.820 0.077 0.000 1.898 95 A HA -0.107 3.039 4.320 -1.956 0.000 0.216 95 A C 2.544 180.107 177.584 -0.035 0.000 1.181 95 A CA 1.088 53.173 52.037 0.079 0.000 0.620 95 A CB -0.722 18.341 19.000 0.106 0.000 0.819 95 A HN 0.136 nan 8.150 nan 0.000 0.442 96 V N -0.013 119.883 119.914 -0.031 0.000 2.343 96 V HA -0.259 2.687 4.120 -1.956 0.000 0.247 96 V C 3.052 179.115 176.094 -0.051 0.000 1.051 96 V CA 1.952 64.214 62.300 -0.063 0.000 1.036 96 V CB -1.267 30.539 31.823 -0.029 0.000 0.654 96 V HN 0.609 nan 8.190 nan 0.000 0.451 97 A N -0.767 122.041 122.820 -0.019 0.000 1.933 97 A HA -0.266 2.880 4.320 -1.956 0.000 0.218 97 A C 2.304 179.906 177.584 0.029 0.000 1.175 97 A CA 1.960 53.999 52.037 0.003 0.000 0.628 97 A CB -0.486 18.516 19.000 0.003 0.000 0.814 97 A HN 0.595 nan 8.150 nan 0.000 0.444 98 E N -0.641 119.566 120.200 0.013 0.000 2.072 98 E HA -0.163 3.013 4.350 -1.956 0.000 0.191 98 E C 2.084 178.641 176.600 -0.071 0.000 0.985 98 E CA 1.186 57.613 56.400 0.046 0.000 0.801 98 E CB -0.180 29.621 29.700 0.169 0.000 0.750 98 E HN 0.670 nan 8.360 nan 0.000 0.452 99 M N -0.099 119.264 119.600 -0.396 0.000 2.108 99 M HA -0.197 3.110 4.480 -1.956 0.000 0.261 99 M C 2.473 178.668 176.300 -0.174 0.000 1.066 99 M CA 1.336 56.291 55.300 -0.575 0.000 1.107 99 M CB -0.671 31.535 32.600 -0.658 0.000 1.356 99 M HN 0.261 nan 8.290 nan 0.000 0.406 100 H N 0.736 119.714 119.070 -0.153 0.000 2.321 100 H HA -0.152 3.230 4.556 -1.956 0.000 0.300 100 H C 2.041 177.343 175.328 -0.043 0.000 1.087 100 H CA 1.914 57.914 56.048 -0.080 0.000 1.319 100 H CB -0.027 29.699 29.762 -0.060 0.000 1.379 100 H HN 0.273 nan 8.280 nan 0.000 0.501 101 K N 0.224 120.679 120.400 0.091 0.000 2.103 101 K HA -0.136 3.011 4.320 -1.956 0.000 0.207 101 K C 1.294 177.901 176.600 0.011 0.000 1.048 101 K CA 1.953 58.275 56.287 0.059 0.000 0.930 101 K CB 0.083 32.630 32.500 0.078 0.000 0.716 101 K HN 0.230 nan 8.250 nan 0.000 0.444 102 D N -1.005 119.408 120.400 0.021 0.000 2.363 102 D HA 0.048 3.514 4.640 -1.956 0.000 0.226 102 D C 0.879 177.176 176.300 -0.005 0.000 1.020 102 D CA 1.073 55.100 54.000 0.046 0.000 0.892 102 D CB 0.528 41.419 40.800 0.152 0.000 0.900 102 D HN 0.521 nan 8.370 nan 0.000 0.531 103 G N 0.440 109.193 108.800 -0.079 0.000 2.141 103 G HA2 -0.237 2.549 3.960 -1.956 0.000 0.231 103 G HA3 -0.237 2.549 3.960 -1.956 0.000 0.231 103 G C 0.262 175.101 174.900 -0.102 0.000 0.984 103 G CA -0.413 44.620 45.100 -0.112 0.000 0.660 103 G HN 0.238 nan 8.290 nan 0.000 0.525 104 I N 2.061 122.576 120.570 -0.092 0.000 2.618 104 I HA 0.205 3.201 4.170 -1.956 0.000 0.284 104 I C 1.806 177.867 176.117 -0.093 0.000 1.146 104 I CA 1.514 62.772 61.300 -0.071 0.000 1.425 104 I CB 0.782 38.737 38.000 -0.076 0.000 1.383 104 I HN 0.357 nan 8.210 nan 0.000 0.562 105 T N 1.709 116.225 114.554 -0.063 0.000 2.959 105 T HA 0.260 3.436 4.350 -1.956 0.000 0.254 105 T C 0.402 175.089 174.700 -0.022 0.000 1.003 105 T CA -0.213 61.857 62.100 -0.050 0.000 0.950 105 T CB 0.467 69.306 68.868 -0.049 0.000 1.090 105 T HN 0.612 nan 8.240 nan 0.000 0.503 106 E N 0.758 120.946 120.200 -0.021 0.000 2.275 106 E HA 0.709 3.885 4.350 -1.956 0.000 0.270 106 E C -1.380 175.227 176.600 0.011 0.000 0.882 106 E CA -1.120 55.277 56.400 -0.005 0.000 0.758 106 E CB 2.451 32.143 29.700 -0.014 0.000 1.195 106 E HN 0.366 nan 8.360 nan 0.000 0.419 107 A N 1.830 124.670 122.820 0.034 0.000 2.556 107 A HA 0.715 3.861 4.320 -1.956 0.000 0.294 107 A C -1.435 176.205 177.584 0.093 0.000 1.091 107 A CA -0.735 51.343 52.037 0.069 0.000 0.704 107 A CB 2.192 21.218 19.000 0.044 0.000 1.300 107 A HN 0.353 nan 8.150 nan 0.000 0.406 108 V N 1.269 121.265 119.914 0.136 0.000 2.680 108 V HA 0.814 3.760 4.120 -1.956 0.000 0.309 108 V C -0.103 176.046 176.094 0.092 0.000 1.052 108 V CA 0.298 62.667 62.300 0.116 0.000 0.908 108 V CB 2.012 33.922 31.823 0.146 0.000 1.001 108 V HN 1.652 nan 8.190 nan 0.000 0.431 109 S N 6.819 122.567 115.700 0.080 0.000 2.600 109 S HA 0.847 4.143 4.470 -1.956 0.000 0.300 109 S C -0.822 173.826 174.600 0.080 0.000 1.087 109 S CA -0.704 57.546 58.200 0.083 0.000 0.965 109 S CB 1.922 65.183 63.200 0.101 0.000 1.089 109 S HN 1.081 nan 8.310 nan 0.000 0.496 110 I N 1.558 122.179 120.570 0.085 0.000 2.722 110 I HA 0.525 3.521 4.170 -1.956 0.000 0.292 110 I C -1.728 174.500 176.117 0.184 0.000 1.267 110 I CA -0.916 60.445 61.300 0.101 0.000 1.036 110 I CB 2.007 39.967 38.000 -0.067 0.000 1.281 110 I HN 0.641 nan 8.210 nan 0.000 0.423 111 V N 7.471 127.576 119.914 0.319 0.000 2.481 111 V HA 0.286 3.232 4.120 -1.956 0.000 0.286 111 V C 0.523 176.909 176.094 0.487 0.000 1.042 111 V CA -0.586 61.945 62.300 0.385 0.000 0.928 111 V CB 1.606 33.666 31.823 0.395 0.000 0.986 111 V HN 0.553 nan 8.190 nan 0.000 0.462 112 L N 4.718 126.193 121.223 0.420 0.000 2.650 112 L HA 0.465 3.631 4.340 -1.956 0.000 0.239 112 L C 0.485 177.650 176.870 0.491 0.000 1.412 112 L CA 0.226 55.363 54.840 0.494 0.000 1.219 112 L CB -0.476 41.809 42.059 0.377 0.000 1.534 112 L HN 0.784 nan 8.230 nan 0.000 0.430 113 A N 0.752 123.842 122.820 0.451 0.000 2.480 113 A HA 0.521 3.667 4.320 -1.956 0.000 0.289 113 A C -2.181 175.213 177.584 -0.316 0.000 1.044 113 A CA -0.759 51.352 52.037 0.123 0.000 0.761 113 A CB 1.278 20.364 19.000 0.143 0.000 1.289 113 A HN 0.062 nan 8.150 nan 0.000 0.401 114 P HA -0.047 nan 4.420 nan 0.000 0.229 114 P C 0.043 176.805 177.300 -0.896 0.000 1.160 114 P CA 1.131 63.073 63.100 -1.930 0.000 0.777 114 P CB -0.060 30.522 31.700 -1.864 0.000 0.814 115 H N -0.858 118.101 119.070 -0.184 0.000 2.458 115 H HA 0.359 3.742 4.556 -1.956 0.000 0.330 115 H C -0.356 175.103 175.328 0.217 0.000 1.111 115 H CA -0.933 55.150 56.048 0.058 0.000 1.245 115 H CB 0.426 30.193 29.762 0.008 0.000 1.456 115 H HN -0.093 nan 8.280 nan 0.000 0.488 116 F N 2.979 123.074 119.950 0.242 0.000 2.484 116 F HA 0.284 3.642 4.527 -1.948 0.000 0.360 116 F C 0.231 176.153 175.800 0.204 0.000 1.101 116 F CA 0.008 58.113 58.000 0.175 0.000 1.251 116 F CB 0.446 39.538 39.000 0.154 0.000 1.132 116 F HN 0.594 nan 8.300 nan 0.000 0.570 117 S N 2.050 117.308 115.700 -0.737 0.000 2.588 117 S HA 0.324 3.620 4.470 -1.956 0.000 0.275 117 S C 0.440 174.429 174.600 -1.017 0.000 1.130 117 S CA -0.102 57.670 58.200 -0.714 0.000 0.855 117 S CB 1.257 64.016 63.200 -0.735 0.000 1.116 117 S HN 0.796 nan 8.310 nan 0.000 0.472 118 T N -0.607 113.633 114.554 -0.523 0.000 2.867 118 T HA -0.052 3.124 4.350 -1.956 0.000 0.268 118 T C 1.363 175.881 174.700 -0.303 0.000 1.057 118 T CA 1.114 63.003 62.100 -0.352 0.000 1.136 118 T CB -0.717 68.070 68.868 -0.136 0.000 0.874 118 T HN 0.580 nan 8.240 nan 0.000 0.466 119 F N 2.924 122.633 119.950 -0.402 0.000 2.163 119 F HA 0.011 3.387 4.527 -1.918 0.000 0.297 119 F C 2.392 177.967 175.800 -0.374 0.000 1.094 119 F CA 1.355 59.158 58.000 -0.328 0.000 1.290 119 F CB -0.101 38.709 39.000 -0.316 0.000 1.017 119 F HN 0.367 nan 8.300 nan 0.000 0.483 120 S N -0.934 114.594 115.700 -0.287 0.000 2.860 120 S HA 0.029 3.325 4.470 -1.956 0.000 0.181 120 S C 1.825 175.818 174.600 -1.011 0.000 0.763 120 S CA 0.632 58.478 58.200 -0.590 0.000 0.829 120 S CB -0.780 62.209 63.200 -0.352 0.000 0.793 120 S HN 0.054 nan 8.310 nan 0.000 0.614 121 V N 2.856 122.328 119.914 -0.735 0.000 2.252 121 V HA -0.253 2.693 4.120 -1.956 0.000 0.249 121 V C 3.031 178.933 176.094 -0.319 0.000 1.056 121 V CA 2.543 64.557 62.300 -0.475 0.000 1.022 121 V CB -1.145 30.547 31.823 -0.219 0.000 0.641 121 V HN 0.626 nan 8.190 nan 0.000 0.445 122 Q N -0.703 118.839 119.800 -0.430 0.000 2.124 122 Q HA -0.222 2.944 4.340 -1.956 0.000 0.202 122 Q C 2.505 178.437 176.000 -0.113 0.000 0.977 122 Q CA 1.976 57.689 55.803 -0.151 0.000 0.850 122 Q CB -0.186 28.449 28.738 -0.171 0.000 0.901 122 Q HN 0.613 nan 8.270 nan 0.000 0.429 123 S N -0.895 114.670 115.700 -0.226 0.000 2.368 123 S HA -0.137 3.159 4.470 -1.956 0.000 0.224 123 S C 1.666 176.301 174.600 0.059 0.000 1.029 123 S CA 0.982 59.102 58.200 -0.132 0.000 0.988 123 S CB -0.266 62.798 63.200 -0.228 0.000 0.838 123 S HN 0.489 nan 8.310 nan 0.000 0.462 124 Y N 2.244 122.505 120.300 -0.066 0.000 2.145 124 Y HA -0.039 3.334 4.550 -1.961 0.000 0.286 124 Y C 2.267 178.170 175.900 0.006 0.000 1.145 124 Y CA 0.677 58.763 58.100 -0.023 0.000 1.148 124 Y CB -1.603 36.864 38.460 0.012 0.000 0.981 124 Y HN 0.422 nan 8.280 nan 0.000 0.507 125 N N -0.269 118.543 118.700 0.186 0.000 2.069 125 N HA -0.188 3.379 4.740 -1.956 0.000 0.191 125 N C 2.041 177.604 175.510 0.087 0.000 1.031 125 N CA 1.703 54.833 53.050 0.134 0.000 0.852 125 N CB -0.138 38.433 38.487 0.141 0.000 1.018 125 N HN 0.112 nan 8.380 nan 0.000 0.423 126 K N 1.007 121.443 120.400 0.060 0.000 2.057 126 K HA -0.020 3.126 4.320 -1.956 0.000 0.207 126 K C 2.055 178.668 176.600 0.022 0.000 1.049 126 K CA 1.029 57.333 56.287 0.029 0.000 0.931 126 K CB -0.335 32.164 32.500 -0.001 0.000 0.714 126 K HN 0.337 nan 8.250 nan 0.000 0.440 127 R N 0.035 120.554 120.500 0.031 0.000 2.073 127 R HA -0.005 3.162 4.340 -1.956 0.000 0.234 127 R C 2.661 178.972 176.300 0.018 0.000 1.134 127 R CA 1.383 57.493 56.100 0.016 0.000 0.952 127 R CB -0.630 29.682 30.300 0.021 0.000 0.850 127 R HN 0.374 nan 8.270 nan 0.000 0.433 128 A N 1.748 124.591 122.820 0.040 0.000 1.883 128 A HA -0.219 2.927 4.320 -1.956 0.000 0.217 128 A C 1.961 179.558 177.584 0.021 0.000 1.186 128 A CA 1.579 53.636 52.037 0.033 0.000 0.624 128 A CB -0.326 18.708 19.000 0.057 0.000 0.822 128 A HN 0.218 nan 8.150 nan 0.000 0.444 129 K N -0.605 119.812 120.400 0.028 0.000 2.097 129 K HA -0.117 3.029 4.320 -1.956 0.000 0.205 129 K C 1.992 178.595 176.600 0.004 0.000 1.050 129 K CA 1.462 57.761 56.287 0.020 0.000 0.938 129 K CB -0.144 32.373 32.500 0.028 0.000 0.718 129 K HN 0.621 nan 8.250 nan 0.000 0.442 130 E N 0.610 120.809 120.200 -0.002 0.000 2.106 130 E HA -0.206 2.970 4.350 -1.956 0.000 0.192 130 E C 1.929 178.513 176.600 -0.025 0.000 0.984 130 E CA 0.982 57.373 56.400 -0.015 0.000 0.806 130 E CB 0.114 29.802 29.700 -0.019 0.000 0.750 130 E HN 0.187 nan 8.360 nan 0.000 0.458 131 E N 0.930 121.115 120.200 -0.026 0.000 2.051 131 E HA -0.157 3.019 4.350 -1.956 0.000 0.192 131 E C 1.850 178.419 176.600 -0.053 0.000 0.991 131 E CA 1.385 57.760 56.400 -0.041 0.000 0.799 131 E CB -0.230 29.451 29.700 -0.033 0.000 0.748 131 E HN 0.228 nan 8.360 nan 0.000 0.449 132 A N 0.741 123.543 122.820 -0.030 0.000 1.908 132 A HA -0.263 2.883 4.320 -1.956 0.000 0.218 132 A C 2.234 179.801 177.584 -0.028 0.000 1.181 132 A CA 1.913 53.937 52.037 -0.021 0.000 0.627 132 A CB -0.741 18.264 19.000 0.007 0.000 0.818 132 A HN 0.443 nan 8.150 nan 0.000 0.445 133 E N -0.351 119.836 120.200 -0.023 0.000 2.077 133 E HA -0.243 2.933 4.350 -1.956 0.000 0.193 133 E C 2.084 178.660 176.600 -0.040 0.000 0.989 133 E CA 1.514 57.901 56.400 -0.021 0.000 0.800 133 E CB -0.118 29.573 29.700 -0.015 0.000 0.746 133 E HN 0.646 nan 8.360 nan 0.000 0.452 134 K N 0.323 120.690 120.400 -0.055 0.000 2.057 134 K HA -0.136 3.010 4.320 -1.956 0.000 0.207 134 K C 2.138 178.674 176.600 -0.107 0.000 1.049 134 K CA 1.140 57.385 56.287 -0.069 0.000 0.931 134 K CB -0.032 32.428 32.500 -0.067 0.000 0.714 134 K HN 0.145 nan 8.250 nan 0.000 0.440 135 L N 0.044 121.166 121.223 -0.168 0.000 2.179 135 L HA 0.102 3.268 4.340 -1.956 0.000 0.208 135 L C 1.066 177.808 176.870 -0.214 0.000 1.096 135 L CA 0.418 55.059 54.840 -0.332 0.000 0.779 135 L CB -0.657 41.000 42.059 -0.670 0.000 0.922 135 L HN 0.523 nan 8.230 nan 0.000 0.443 136 G N -0.986 107.770 108.800 -0.072 0.000 2.787 136 G HA2 0.052 2.838 3.960 -1.956 0.000 0.685 136 G HA3 0.052 2.838 3.960 -1.956 0.000 0.685 136 G C 0.606 175.592 174.900 0.144 0.000 1.437 136 G CA -0.378 44.739 45.100 0.029 0.000 0.872 136 G HN 0.715 nan 8.290 nan 0.000 0.566 137 G N -1.902 106.959 108.800 0.102 0.000 2.203 137 G HA2 0.161 2.947 3.960 -1.956 0.000 0.263 137 G HA3 0.161 2.947 3.960 -1.956 0.000 0.263 137 G C 0.261 175.206 174.900 0.076 0.000 1.012 137 G CA 1.465 46.618 45.100 0.088 0.000 0.749 137 G HN 2.312 nan 8.290 nan 0.000 0.512 138 L N 0.817 122.096 121.223 0.093 0.000 2.516 138 L HA 0.786 3.952 4.340 -1.956 0.000 0.267 138 L C 0.057 176.952 176.870 0.042 0.000 0.957 138 L CA 0.159 55.041 54.840 0.070 0.000 0.860 138 L CB 2.000 44.142 42.059 0.138 0.000 1.265 138 L HN 0.563 nan 8.230 nan 0.000 0.403 139 T N 2.727 117.296 114.554 0.025 0.000 2.885 139 T HA 0.829 4.005 4.350 -1.956 0.000 0.285 139 T C -0.293 174.423 174.700 0.026 0.000 1.019 139 T CA -0.561 61.553 62.100 0.024 0.000 1.010 139 T CB 1.429 70.309 68.868 0.019 0.000 1.022 139 T HN 0.502 nan 8.240 nan 0.000 0.466 140 I N 2.078 122.667 120.570 0.032 0.000 2.466 140 I HA 0.344 3.340 4.170 -1.956 0.000 0.289 140 I C -0.169 175.977 176.117 0.048 0.000 1.026 140 I CA -0.836 60.489 61.300 0.042 0.000 1.078 140 I CB 2.472 40.498 38.000 0.043 0.000 1.249 140 I HN 0.690 nan 8.210 nan 0.000 0.429 141 T N 3.847 118.434 114.554 0.056 0.000 2.767 141 T HA 0.374 3.550 4.350 -1.956 0.000 0.288 141 T C -0.100 174.643 174.700 0.072 0.000 0.963 141 T CA -0.526 61.609 62.100 0.059 0.000 1.019 141 T CB 1.105 70.007 68.868 0.057 0.000 0.923 141 T HN 0.457 nan 8.240 nan 0.000 0.468 142 S N 2.287 118.035 115.700 0.079 0.000 2.449 142 S HA 0.428 3.724 4.470 -1.956 0.000 0.310 142 S C 0.225 174.895 174.600 0.117 0.000 1.096 142 S CA -0.777 57.485 58.200 0.103 0.000 1.095 142 S CB 1.150 64.421 63.200 0.117 0.000 1.007 142 S HN 0.534 nan 8.310 nan 0.000 0.474 143 V N 4.099 124.091 119.914 0.131 0.000 2.585 143 V HA 0.065 3.011 4.120 -1.956 0.000 0.296 143 V C 1.108 177.343 176.094 0.235 0.000 1.035 143 V CA 0.517 62.916 62.300 0.166 0.000 1.084 143 V CB 0.502 32.424 31.823 0.164 0.000 0.953 143 V HN 0.956 nan 8.190 nan 0.000 0.483 144 E N 2.466 122.804 120.200 0.232 0.000 2.201 144 E HA 0.115 3.291 4.350 -1.956 0.000 0.193 144 E C 0.545 177.375 176.600 0.383 0.000 0.957 144 E CA 0.734 57.321 56.400 0.310 0.000 0.858 144 E CB 0.627 30.409 29.700 0.137 0.000 0.816 144 E HN 0.787 nan 8.360 nan 0.000 0.475 145 S N -0.487 115.392 115.700 0.299 0.000 2.588 145 S HA 0.385 3.681 4.470 -1.956 0.000 0.269 145 S C -1.213 173.532 174.600 0.242 0.000 1.157 145 S CA -1.021 57.328 58.200 0.248 0.000 0.824 145 S CB 0.642 64.062 63.200 0.368 0.000 1.126 145 S HN 0.425 nan 8.310 nan 0.000 0.464 146 W N 0.376 121.719 121.300 0.071 0.000 1.213 146 W HA 0.157 3.646 4.660 -1.953 0.000 0.194 146 W C 0.423 176.881 176.519 -0.102 0.000 0.748 146 W CA -0.130 57.170 57.345 -0.074 0.000 0.971 146 W CB -1.366 28.033 29.460 -0.101 0.000 0.862 146 W HN 0.909 nan 8.180 nan 0.000 0.427 147 Y N 2.436 122.630 120.300 -0.177 0.000 2.315 147 Y HA -0.165 3.213 4.550 -1.953 0.000 0.288 147 Y C 1.709 177.802 175.900 0.321 0.000 1.154 147 Y CA 2.061 60.160 58.100 -0.002 0.000 1.229 147 Y CB -0.925 37.424 38.460 -0.184 0.000 0.980 147 Y HN -0.093 nan 8.280 nan 0.000 0.540 148 D N 0.029 120.040 120.400 -0.649 0.000 2.349 148 D HA -0.020 3.447 4.640 -1.956 0.000 0.214 148 D C 0.095 176.375 176.300 -0.033 0.000 1.063 148 D CA 0.005 53.784 54.000 -0.369 0.000 0.847 148 D CB -0.499 39.915 40.800 -0.643 0.000 0.933 148 D HN 0.469 nan 8.370 nan 0.000 0.513 149 E N 1.765 122.033 120.200 0.115 0.000 2.493 149 E HA 0.036 3.212 4.350 -1.956 0.000 0.255 149 E C -1.703 175.024 176.600 0.211 0.000 0.999 149 E CA -1.336 55.168 56.400 0.174 0.000 0.934 149 E CB 1.163 31.006 29.700 0.239 0.000 0.940 149 E HN -0.106 nan 8.360 nan 0.000 0.473 150 P HA -0.208 nan 4.420 nan 0.000 0.216 150 P C 0.348 177.737 177.300 0.148 0.000 1.153 150 P CA 1.881 65.051 63.100 0.116 0.000 0.858 150 P CB 0.168 31.912 31.700 0.074 0.000 0.789 151 K N -2.272 118.227 120.400 0.165 0.000 2.211 151 K HA -0.127 3.020 4.320 -1.956 0.000 0.203 151 K C 1.925 178.703 176.600 0.296 0.000 1.050 151 K CA 0.995 57.390 56.287 0.181 0.000 0.945 151 K CB -0.505 32.077 32.500 0.137 0.000 0.732 151 K HN 0.147 nan 8.250 nan 0.000 0.451 152 F N 1.100 121.184 119.950 0.224 0.000 2.149 152 F HA -0.106 3.245 4.527 -1.959 0.000 0.294 152 F C 1.818 177.846 175.800 0.380 0.000 1.095 152 F CA 0.682 58.896 58.000 0.357 0.000 1.276 152 F CB -0.393 38.894 39.000 0.479 0.000 1.023 152 F HN -0.317 nan 8.300 nan 0.000 0.480 153 V N 0.361 120.356 119.914 0.135 0.000 2.282 153 V HA -0.386 2.560 4.120 -1.956 0.000 0.249 153 V C 2.374 178.495 176.094 0.045 0.000 1.057 153 V CA 2.590 64.911 62.300 0.035 0.000 1.032 153 V CB -1.437 30.438 31.823 0.086 0.000 0.645 153 V HN 0.439 nan 8.190 nan 0.000 0.447 154 T N -1.065 113.536 114.554 0.079 0.000 2.720 154 T HA -0.269 2.907 4.350 -1.956 0.000 0.268 154 T C 1.663 176.374 174.700 0.018 0.000 1.037 154 T CA 2.168 64.297 62.100 0.048 0.000 1.144 154 T CB -0.438 68.465 68.868 0.057 0.000 0.864 154 T HN 0.615 nan 8.240 nan 0.000 0.444 155 Y N 0.224 120.493 120.300 -0.053 0.000 2.040 155 Y HA -0.275 3.101 4.550 -1.957 0.000 0.275 155 Y C 2.105 177.866 175.900 -0.232 0.000 1.171 155 Y CA 1.418 59.423 58.100 -0.159 0.000 1.123 155 Y CB -0.553 37.791 38.460 -0.194 0.000 0.963 155 Y HN 0.282 nan 8.280 nan 0.000 0.493 156 W N -0.876 120.371 121.300 -0.088 0.000 2.388 156 W HA -0.134 3.353 4.660 -1.954 0.000 0.294 156 W C 2.460 178.860 176.519 -0.198 0.000 1.212 156 W CA 1.310 58.555 57.345 -0.166 0.000 1.271 156 W CB -0.580 28.790 29.460 -0.150 0.000 1.126 156 W HN -0.126 nan 8.180 nan 0.000 0.535 157 V N 0.626 120.572 119.914 0.053 0.000 2.255 157 V HA -0.348 2.599 4.120 -1.956 0.000 0.247 157 V C 1.795 177.847 176.094 -0.070 0.000 1.051 157 V CA 2.268 64.552 62.300 -0.025 0.000 1.018 157 V CB -0.864 30.936 31.823 -0.037 0.000 0.641 157 V HN 0.073 nan 8.190 nan 0.000 0.445 158 D N -0.443 119.886 120.400 -0.118 0.000 2.117 158 D HA -0.128 3.338 4.640 -1.956 0.000 0.197 158 D C 2.424 178.625 176.300 -0.165 0.000 0.987 158 D CA 0.942 54.855 54.000 -0.145 0.000 0.829 158 D CB -0.297 40.406 40.800 -0.162 0.000 0.961 158 D HN 0.265 nan 8.370 nan 0.000 0.460 159 R N 0.486 120.833 120.500 -0.255 0.000 2.081 159 R HA -0.040 3.127 4.340 -1.956 0.000 0.235 159 R C 2.433 178.725 176.300 -0.013 0.000 1.131 159 R CA 0.359 56.347 56.100 -0.188 0.000 0.960 159 R CB -1.124 28.998 30.300 -0.297 0.000 0.856 159 R HN 0.194 nan 8.270 nan 0.000 0.436 160 V N 1.779 121.717 119.914 0.040 0.000 2.343 160 V HA -0.235 2.712 4.120 -1.956 0.000 0.247 160 V C 2.337 178.468 176.094 0.062 0.000 1.051 160 V CA 1.704 64.051 62.300 0.079 0.000 1.036 160 V CB -0.397 31.440 31.823 0.023 0.000 0.654 160 V HN 0.315 nan 8.190 nan 0.000 0.451 161 K N -0.116 120.269 120.400 -0.025 0.000 2.032 161 K HA -0.235 2.911 4.320 -1.956 0.000 0.209 161 K C 2.160 178.764 176.600 0.007 0.000 1.048 161 K CA 1.912 58.179 56.287 -0.032 0.000 0.927 161 K CB -0.232 32.231 32.500 -0.060 0.000 0.712 161 K HN 0.549 nan 8.250 nan 0.000 0.441 162 E N -0.058 120.134 120.200 -0.014 0.000 2.077 162 E HA -0.151 3.025 4.350 -1.956 0.000 0.193 162 E C 2.006 178.597 176.600 -0.015 0.000 0.989 162 E CA 1.576 57.964 56.400 -0.019 0.000 0.800 162 E CB -0.033 29.645 29.700 -0.037 0.000 0.746 162 E HN 0.264 nan 8.360 nan 0.000 0.452 163 T N 0.081 114.632 114.554 -0.006 0.000 2.674 163 T HA -0.160 3.017 4.350 -1.956 0.000 0.265 163 T C 1.484 176.052 174.700 -0.219 0.000 1.039 163 T CA 1.166 63.205 62.100 -0.101 0.000 1.150 163 T CB -0.412 68.404 68.868 -0.085 0.000 0.864 163 T HN 0.193 nan 8.240 nan 0.000 0.427 164 Y N 1.384 121.553 120.300 -0.219 0.000 2.274 164 Y HA 0.036 3.412 4.550 -1.957 0.000 0.290 164 Y C 2.636 178.441 175.900 -0.159 0.000 1.145 164 Y CA 0.567 58.539 58.100 -0.212 0.000 1.203 164 Y CB -0.649 37.717 38.460 -0.157 0.000 0.984 164 Y HN 0.206 nan 8.280 nan 0.000 0.533 165 A N -0.721 122.115 122.820 0.027 0.000 2.015 165 A HA -0.148 2.998 4.320 -1.956 0.000 0.219 165 A C 2.314 179.878 177.584 -0.033 0.000 1.163 165 A CA 1.628 53.663 52.037 -0.004 0.000 0.646 165 A CB -0.897 18.101 19.000 -0.003 0.000 0.806 165 A HN 0.437 nan 8.150 nan 0.000 0.448 166 S N -0.980 114.682 115.700 -0.064 0.000 2.561 166 S HA 0.195 3.491 4.470 -1.956 0.000 0.225 166 S C 0.813 175.373 174.600 -0.065 0.000 0.977 166 S CA -0.089 58.082 58.200 -0.049 0.000 0.926 166 S CB -0.511 62.674 63.200 -0.024 0.000 0.769 166 S HN 0.470 nan 8.310 nan 0.000 0.533 167 M N 3.208 122.720 119.600 -0.146 0.000 2.233 167 M HA 0.332 3.639 4.480 -1.956 0.000 0.350 167 M C -2.231 174.040 176.300 -0.049 0.000 1.176 167 M CA -2.026 53.188 55.300 -0.144 0.000 1.150 167 M CB 0.383 32.816 32.600 -0.279 0.000 1.530 167 M HN 0.046 nan 8.290 nan 0.000 0.459 168 P HA 0.014 nan 4.420 nan 0.000 0.269 168 P C -0.273 177.023 177.300 -0.006 0.000 1.215 168 P CA 0.124 63.226 63.100 0.005 0.000 0.780 168 P CB 0.483 32.198 31.700 0.025 0.000 0.898 169 E N 1.131 121.331 120.200 0.000 0.000 2.130 169 E HA -0.248 2.928 4.350 -1.956 0.000 0.196 169 E C 1.384 177.985 176.600 0.003 0.000 0.998 169 E CA 1.775 58.176 56.400 0.001 0.000 0.806 169 E CB -0.131 29.571 29.700 0.004 0.000 0.738 169 E HN 0.633 nan 8.360 nan 0.000 0.459 170 D N 0.743 121.148 120.400 0.007 0.000 2.144 170 D HA -0.185 3.282 4.640 -1.956 0.000 0.200 170 D C 1.532 177.838 176.300 0.011 0.000 0.978 170 D CA 1.051 55.057 54.000 0.011 0.000 0.833 170 D CB -0.443 40.367 40.800 0.016 0.000 0.961 170 D HN 0.233 nan 8.370 nan 0.000 0.470 171 E N 0.175 120.378 120.200 0.006 0.000 2.072 171 E HA -0.092 3.084 4.350 -1.956 0.000 0.191 171 E C 2.360 178.928 176.600 -0.054 0.000 0.985 171 E CA 0.313 56.706 56.400 -0.011 0.000 0.801 171 E CB 0.005 29.705 29.700 -0.000 0.000 0.750 171 E HN 0.201 nan 8.360 nan 0.000 0.452 172 R N 0.970 121.439 120.500 -0.052 0.000 2.091 172 R HA -0.164 3.002 4.340 -1.956 0.000 0.238 172 R C 1.647 177.973 176.300 0.044 0.000 1.136 172 R CA 1.327 57.414 56.100 -0.021 0.000 0.959 172 R CB 0.027 30.333 30.300 0.010 0.000 0.856 172 R HN 0.171 nan 8.270 nan 0.000 0.437 173 E N -0.888 119.330 120.200 0.030 0.000 2.489 173 E HA -0.025 3.151 4.350 -1.956 0.000 0.193 173 E C 0.155 176.784 176.600 0.049 0.000 1.057 173 E CA 0.154 56.578 56.400 0.040 0.000 0.866 173 E CB 0.167 29.880 29.700 0.021 0.000 0.916 173 E HN 0.297 nan 8.360 nan 0.000 0.500 174 N N 0.238 118.968 118.700 0.049 0.000 2.588 174 N HA 0.216 3.782 4.740 -1.956 0.000 0.298 174 N C -1.178 174.403 175.510 0.117 0.000 1.718 174 N CA -0.239 52.864 53.050 0.088 0.000 0.888 174 N CB 0.792 39.300 38.487 0.035 0.000 1.389 174 N HN -0.051 nan 8.380 nan 0.000 0.491 175 A N 0.970 123.816 122.820 0.042 0.000 2.311 175 A HA 0.762 3.909 4.320 -1.956 0.000 0.334 175 A C -0.611 176.784 177.584 -0.315 0.000 1.139 175 A CA -0.451 51.494 52.037 -0.155 0.000 0.830 175 A CB 1.335 20.178 19.000 -0.262 0.000 1.234 175 A HN 0.387 nan 8.150 nan 0.000 0.483 176 M N 1.754 120.966 119.600 -0.648 0.000 2.326 176 M HA 0.613 3.919 4.480 -1.956 0.000 0.306 176 M C -1.820 174.250 176.300 -0.382 0.000 1.054 176 M CA -0.922 53.922 55.300 -0.761 0.000 0.922 176 M CB 1.533 33.277 32.600 -1.427 0.000 1.632 176 M HN 0.611 nan 8.290 nan 0.000 0.436 177 L N 6.539 127.656 121.223 -0.177 0.000 2.272 177 L HA 0.688 3.855 4.340 -1.956 0.000 0.289 177 L C -1.623 175.174 176.870 -0.122 0.000 1.032 177 L CA -0.010 54.774 54.840 -0.093 0.000 0.810 177 L CB 0.596 42.662 42.059 0.012 0.000 1.205 177 L HN 0.788 nan 8.230 nan 0.000 0.422 178 I N 6.096 126.537 120.570 -0.216 0.000 2.362 178 I HA 0.391 3.387 4.170 -1.956 0.000 0.289 178 I C -0.777 175.246 176.117 -0.157 0.000 0.994 178 I CA -0.823 60.370 61.300 -0.178 0.000 1.158 178 I CB 1.747 39.612 38.000 -0.225 0.000 1.315 178 I HN 0.286 nan 8.210 nan 0.000 0.451 179 V N 5.470 125.284 119.914 -0.167 0.000 2.459 179 V HA 0.592 3.538 4.120 -1.956 0.000 0.295 179 V C 0.060 175.976 176.094 -0.297 0.000 1.029 179 V CA -0.308 61.849 62.300 -0.240 0.000 0.874 179 V CB 1.631 33.291 31.823 -0.272 0.000 0.985 179 V HN 0.903 nan 8.190 nan 0.000 0.438 180 S N 3.248 118.793 115.700 -0.258 0.000 2.618 180 S HA 1.002 4.298 4.470 -1.956 0.000 0.277 180 S C -0.670 173.815 174.600 -0.192 0.000 1.138 180 S CA -0.195 57.844 58.200 -0.268 0.000 0.844 180 S CB 2.433 65.595 63.200 -0.064 0.000 1.127 180 S HN 1.514 nan 8.310 nan 0.000 0.474 181 A N 0.604 123.310 122.820 -0.190 0.000 2.583 181 A HA 0.696 3.843 4.320 -1.956 0.000 0.289 181 A C -1.011 176.786 177.584 0.356 0.000 1.151 181 A CA -0.715 51.314 52.037 -0.013 0.000 0.695 181 A CB 0.613 19.486 19.000 -0.212 0.000 1.290 181 A HN 0.999 nan 8.150 nan 0.000 0.419 182 H N 1.161 120.344 119.070 0.188 0.000 3.004 182 H HA 0.210 3.567 4.556 -1.999 0.000 0.316 182 H C 0.768 176.422 175.328 0.543 0.000 1.014 182 H CA 1.442 57.726 56.048 0.393 0.000 1.454 182 H CB 0.840 30.719 29.762 0.194 0.000 1.472 182 H HN 0.680 nan 8.280 nan 0.000 0.571 183 S N 3.991 120.018 115.700 0.546 0.000 2.573 183 S HA 0.268 3.564 4.470 -1.956 0.000 0.277 183 S C -0.007 174.905 174.600 0.519 0.000 1.346 183 S CA -0.441 58.013 58.200 0.423 0.000 1.034 183 S CB 0.203 63.603 63.200 0.333 0.000 0.879 183 S HN 0.560 nan 8.310 nan 0.000 0.528 184 L N 3.440 124.699 121.223 0.059 0.000 2.327 184 L HA 0.521 3.687 4.340 -1.956 0.000 0.258 184 L C -2.449 173.971 176.870 -0.750 0.000 1.024 184 L CA -2.769 51.812 54.840 -0.433 0.000 0.825 184 L CB 2.324 44.045 42.059 -0.564 0.000 1.386 184 L HN 0.453 nan 8.230 nan 0.000 0.417 185 P HA 0.034 nan 4.420 nan 0.000 0.268 185 P C 0.004 177.008 177.300 -0.494 0.000 1.204 185 P CA 0.125 62.610 63.100 -1.026 0.000 0.768 185 P CB 0.615 31.785 31.700 -0.883 0.000 0.842 186 E N 2.732 122.728 120.200 -0.340 0.000 2.209 186 E HA -0.248 2.928 4.350 -1.956 0.000 0.196 186 E C 1.558 178.056 176.600 -0.171 0.000 0.993 186 E CA 1.077 57.350 56.400 -0.212 0.000 0.819 186 E CB -0.052 29.566 29.700 -0.136 0.000 0.745 186 E HN 0.493 nan 8.360 nan 0.000 0.477 187 K N 1.098 121.392 120.400 -0.178 0.000 2.442 187 K HA -0.162 2.984 4.320 -1.956 0.000 0.199 187 K C 1.964 178.494 176.600 -0.116 0.000 1.044 187 K CA 1.412 57.611 56.287 -0.146 0.000 0.941 187 K CB -0.719 31.710 32.500 -0.119 0.000 0.759 187 K HN 0.326 nan 8.250 nan 0.000 0.472 188 I N 0.446 120.977 120.570 -0.065 0.000 2.454 188 I HA -0.272 2.724 4.170 -1.956 0.000 0.254 188 I C 2.168 178.305 176.117 0.033 0.000 1.156 188 I CA 1.459 62.800 61.300 0.067 0.000 1.433 188 I CB -0.592 37.420 38.000 0.019 0.000 1.082 188 I HN 0.168 nan 8.210 nan 0.000 0.432 189 K N 1.837 122.206 120.400 -0.052 0.000 2.160 189 K HA -0.236 2.911 4.320 -1.956 0.000 0.206 189 K C 1.639 178.163 176.600 -0.127 0.000 1.047 189 K CA 2.123 58.376 56.287 -0.057 0.000 0.930 189 K CB -0.597 31.862 32.500 -0.069 0.000 0.720 189 K HN 0.508 nan 8.250 nan 0.000 0.450 190 E N -0.120 119.905 120.200 -0.292 0.000 2.265 190 E HA -0.130 3.046 4.350 -1.956 0.000 0.196 190 E C 0.774 177.030 176.600 -0.573 0.000 0.996 190 E CA 1.056 57.155 56.400 -0.502 0.000 0.832 190 E CB -0.084 29.181 29.700 -0.725 0.000 0.756 190 E HN 0.450 nan 8.360 nan 0.000 0.491 191 F N -0.881 119.075 119.950 0.009 0.000 2.664 191 F HA 0.321 3.670 4.527 -1.964 0.000 0.303 191 F C 1.412 177.240 175.800 0.047 0.000 1.092 191 F CA 0.215 58.231 58.000 0.027 0.000 1.305 191 F CB 0.651 39.669 39.000 0.031 0.000 1.054 191 F HN -0.051 nan 8.300 nan 0.000 0.565 192 G N 0.869 109.749 108.800 0.133 0.000 2.198 192 G HA2 -0.310 2.476 3.960 -1.956 0.000 0.260 192 G HA3 -0.310 2.476 3.960 -1.956 0.000 0.260 192 G C -0.008 174.995 174.900 0.171 0.000 1.025 192 G CA 0.196 45.368 45.100 0.120 0.000 0.769 192 G HN 0.348 nan 8.290 nan 0.000 0.507 193 D N 0.619 121.144 120.400 0.208 0.000 2.520 193 D HA 0.147 3.613 4.640 -1.956 0.000 0.243 193 D C -0.087 176.356 176.300 0.239 0.000 1.160 193 D CA -0.782 53.367 54.000 0.250 0.000 0.877 193 D CB 1.065 41.985 40.800 0.199 0.000 1.150 193 D HN 0.269 nan 8.370 nan 0.000 0.494 194 P HA -0.094 nan 4.420 nan 0.000 0.249 194 P C 1.197 178.651 177.300 0.257 0.000 1.229 194 P CA 0.054 63.295 63.100 0.236 0.000 0.788 194 P CB 0.013 31.847 31.700 0.223 0.000 1.072 195 Y N 3.294 123.686 120.300 0.154 0.000 2.069 195 Y HA -0.183 3.189 4.550 -1.963 0.000 0.278 195 Y C -0.731 175.265 175.900 0.160 0.000 1.175 195 Y CA 2.420 60.591 58.100 0.118 0.000 1.134 195 Y CB -1.958 36.538 38.460 0.060 0.000 0.965 195 Y HN 0.090 nan 8.280 nan 0.000 0.498 196 P HA -0.095 nan 4.420 nan 0.000 0.217 196 P C 1.193 178.634 177.300 0.236 0.000 1.151 196 P CA 2.040 65.344 63.100 0.339 0.000 0.828 196 P CB 0.039 31.937 31.700 0.329 0.000 0.788 197 D N -0.676 119.795 120.400 0.118 0.000 2.144 197 D HA -0.146 3.320 4.640 -1.956 0.000 0.199 197 D C 2.067 178.358 176.300 -0.015 0.000 0.984 197 D CA 1.103 55.140 54.000 0.061 0.000 0.834 197 D CB -0.417 40.414 40.800 0.052 0.000 0.955 197 D HN 0.302 nan 8.370 nan 0.000 0.465 198 Q N -0.228 119.490 119.800 -0.137 0.000 2.119 198 Q HA -0.094 3.073 4.340 -1.956 0.000 0.201 198 Q C 2.207 177.888 176.000 -0.532 0.000 0.972 198 Q CA 0.446 55.966 55.803 -0.471 0.000 0.847 198 Q CB -0.072 28.342 28.738 -0.541 0.000 0.903 198 Q HN 0.191 nan 8.270 nan 0.000 0.433 199 L N 0.463 121.322 121.223 -0.607 0.000 2.017 199 L HA -0.199 2.968 4.340 -1.956 0.000 0.208 199 L C 2.157 178.769 176.870 -0.429 0.000 1.073 199 L CA 1.893 56.275 54.840 -0.764 0.000 0.745 199 L CB -0.626 40.821 42.059 -1.020 0.000 0.894 199 L HN 0.261 nan 8.230 nan 0.000 0.432 200 H N -0.711 118.203 119.070 -0.260 0.000 2.352 200 H HA -0.122 3.260 4.556 -1.958 0.000 0.299 200 H C 2.085 177.380 175.328 -0.054 0.000 1.097 200 H CA 1.582 57.561 56.048 -0.115 0.000 1.311 200 H CB 0.196 29.930 29.762 -0.046 0.000 1.377 200 H HN 0.436 nan 8.280 nan 0.000 0.504 201 E N 0.636 120.871 120.200 0.058 0.000 2.072 201 E HA -0.090 3.086 4.350 -1.956 0.000 0.191 201 E C 2.448 179.119 176.600 0.118 0.000 0.985 201 E CA 0.419 56.885 56.400 0.110 0.000 0.801 201 E CB -0.055 29.763 29.700 0.197 0.000 0.750 201 E HN 0.231 nan 8.360 nan 0.000 0.452 202 S N 0.700 116.455 115.700 0.092 0.000 2.372 202 S HA -0.244 3.052 4.470 -1.956 0.000 0.227 202 S C 2.011 176.582 174.600 -0.048 0.000 1.044 202 S CA 1.475 59.759 58.200 0.140 0.000 1.050 202 S CB -0.231 63.086 63.200 0.195 0.000 0.901 202 S HN 0.435 nan 8.310 nan 0.000 0.447 203 A N 1.734 124.464 122.820 -0.150 0.000 1.877 203 A HA -0.127 3.020 4.320 -1.956 0.000 0.216 203 A C 2.074 179.391 177.584 -0.446 0.000 1.186 203 A CA 1.615 53.481 52.037 -0.285 0.000 0.620 203 A CB -0.568 18.315 19.000 -0.195 0.000 0.822 203 A HN 0.328 nan 8.150 nan 0.000 0.443 204 K N 0.103 120.373 120.400 -0.217 0.000 2.044 204 K HA -0.138 3.009 4.320 -1.956 0.000 0.210 204 K C 1.934 178.432 176.600 -0.171 0.000 1.049 204 K CA 1.861 58.047 56.287 -0.168 0.000 0.927 204 K CB -0.624 31.901 32.500 0.040 0.000 0.713 204 K HN 0.517 nan 8.250 nan 0.000 0.443 205 L N 0.360 121.537 121.223 -0.077 0.000 2.056 205 L HA -0.158 3.009 4.340 -1.956 0.000 0.207 205 L C 2.567 179.382 176.870 -0.091 0.000 1.078 205 L CA 0.959 55.777 54.840 -0.036 0.000 0.749 205 L CB -0.252 41.838 42.059 0.053 0.000 0.901 205 L HN 0.144 nan 8.230 nan 0.000 0.433 206 I N -0.494 119.989 120.570 -0.144 0.000 2.233 206 I HA -0.238 2.758 4.170 -1.956 0.000 0.243 206 I C 2.774 178.751 176.117 -0.232 0.000 1.093 206 I CA 1.101 62.307 61.300 -0.158 0.000 1.380 206 I CB -0.407 37.489 38.000 -0.174 0.000 1.067 206 I HN 0.165 nan 8.210 nan 0.000 0.413 207 A N 0.328 122.914 122.820 -0.390 0.000 1.902 207 A HA -0.284 2.862 4.320 -1.956 0.000 0.217 207 A C 2.329 179.753 177.584 -0.268 0.000 1.181 207 A CA 2.071 53.847 52.037 -0.435 0.000 0.623 207 A CB -0.719 17.761 19.000 -0.868 0.000 0.818 207 A HN 0.537 nan 8.150 nan 0.000 0.443 208 E N -0.419 119.653 120.200 -0.212 0.000 2.077 208 E HA -0.126 3.050 4.350 -1.956 0.000 0.193 208 E C 2.046 178.585 176.600 -0.101 0.000 0.989 208 E CA 1.226 57.556 56.400 -0.117 0.000 0.800 208 E CB -0.483 29.173 29.700 -0.073 0.000 0.746 208 E HN 0.477 nan 8.360 nan 0.000 0.452 209 G N 0.467 109.207 108.800 -0.100 0.000 2.408 209 G HA2 -0.167 2.619 3.960 -1.956 0.000 0.217 209 G HA3 -0.167 2.619 3.960 -1.956 0.000 0.217 209 G C 1.562 176.404 174.900 -0.097 0.000 1.150 209 G CA 0.709 45.764 45.100 -0.076 0.000 0.776 209 G HN 0.399 nan 8.290 nan 0.000 0.542 210 A N -0.283 122.454 122.820 -0.139 0.000 2.169 210 A HA 0.459 3.605 4.320 -1.956 0.000 0.212 210 A C 1.970 179.432 177.584 -0.203 0.000 1.153 210 A CA 1.297 53.230 52.037 -0.173 0.000 0.756 210 A CB -0.429 18.439 19.000 -0.220 0.000 0.813 210 A HN 1.593 nan 8.150 nan 0.000 0.471 211 G N -1.085 107.611 108.800 -0.173 0.000 2.198 211 G HA2 -0.159 2.627 3.960 -1.956 0.000 0.257 211 G HA3 -0.159 2.627 3.960 -1.956 0.000 0.257 211 G C -0.041 174.736 174.900 -0.205 0.000 1.042 211 G CA 0.199 45.206 45.100 -0.155 0.000 0.791 211 G HN 0.827 nan 8.290 nan 0.000 0.502 212 V N 1.396 121.161 119.914 -0.249 0.000 2.333 212 V HA 0.488 3.434 4.120 -1.956 0.000 0.274 212 V C 1.441 177.482 176.094 -0.089 0.000 1.028 212 V CA 0.436 62.572 62.300 -0.275 0.000 0.851 212 V CB 1.322 32.888 31.823 -0.429 0.000 1.000 212 V HN 0.742 nan 8.190 nan 0.000 0.456 213 S N 2.906 118.586 115.700 -0.034 0.000 2.458 213 S HA 0.164 3.460 4.470 -1.956 0.000 0.223 213 S C 0.503 175.155 174.600 0.086 0.000 1.019 213 S CA -0.031 58.194 58.200 0.043 0.000 0.937 213 S CB 0.079 63.288 63.200 0.014 0.000 0.788 213 S HN 0.745 nan 8.310 nan 0.000 0.511 214 E N 1.318 121.551 120.200 0.055 0.000 2.092 214 E HA 0.486 3.662 4.350 -1.956 0.000 0.271 214 E C -1.261 175.354 176.600 0.025 0.000 0.919 214 E CA -0.668 55.737 56.400 0.007 0.000 0.760 214 E CB 0.963 30.665 29.700 0.003 0.000 1.106 214 E HN 0.691 nan 8.360 nan 0.000 0.408 215 Y N 0.518 120.739 120.300 -0.132 0.000 2.638 215 Y HA 0.787 4.162 4.550 -1.958 0.000 0.335 215 Y C -1.646 174.175 175.900 -0.132 0.000 1.155 215 Y CA -1.202 56.803 58.100 -0.157 0.000 1.046 215 Y CB 1.075 39.445 38.460 -0.149 0.000 1.303 215 Y HN 0.406 nan 8.280 nan 0.000 0.460 216 A N 0.933 123.700 122.820 -0.087 0.000 2.566 216 A HA 0.798 3.944 4.320 -1.956 0.000 0.292 216 A C -2.063 175.468 177.584 -0.088 0.000 1.112 216 A CA -0.856 51.087 52.037 -0.157 0.000 0.707 216 A CB 1.646 20.576 19.000 -0.115 0.000 1.302 216 A HN 0.858 nan 8.150 nan 0.000 0.409 217 V N 0.856 120.660 119.914 -0.183 0.000 2.398 217 V HA 0.754 3.700 4.120 -1.956 0.000 0.286 217 V C 0.698 176.574 176.094 -0.363 0.000 1.026 217 V CA 0.394 62.469 62.300 -0.375 0.000 0.868 217 V CB 1.279 32.664 31.823 -0.730 0.000 0.982 217 V HN 1.378 nan 8.190 nan 0.000 0.443 218 G N 2.857 111.393 108.800 -0.440 0.000 2.733 218 G HA2 0.725 3.511 3.960 -1.956 0.000 0.288 218 G HA3 0.725 3.511 3.960 -1.956 0.000 0.288 218 G C -2.170 172.409 174.900 -0.535 0.000 1.373 218 G CA -0.674 44.225 45.100 -0.335 0.000 0.895 218 G HN 0.558 nan 8.290 nan 0.000 0.479 219 W N -0.471 120.839 121.300 0.017 0.000 2.882 219 W HA 0.658 4.153 4.660 -1.942 0.000 0.345 219 W C 0.041 176.585 176.519 0.042 0.000 1.125 219 W CA -0.634 56.734 57.345 0.039 0.000 1.167 219 W CB 2.070 31.571 29.460 0.067 0.000 1.431 219 W HN 0.748 nan 8.180 nan 0.000 0.543 220 Q N -0.655 119.330 119.800 0.307 0.000 2.511 220 Q HA 0.620 3.786 4.340 -1.956 0.000 0.289 220 Q C -0.328 175.652 176.000 -0.034 0.000 1.021 220 Q CA -0.917 54.959 55.803 0.122 0.000 0.785 220 Q CB 1.856 30.655 28.738 0.100 0.000 1.472 220 Q HN 0.493 nan 8.270 nan 0.000 0.411 221 S N -0.856 114.762 115.700 -0.138 0.000 3.593 221 S HA -0.213 3.084 4.470 -1.956 0.000 0.301 221 S C -0.160 174.182 174.600 -0.431 0.000 1.209 221 S CA 1.330 59.353 58.200 -0.295 0.000 0.878 221 S CB -2.002 60.959 63.200 -0.398 0.000 1.000 221 S HN 0.821 nan 8.310 nan 0.000 0.578 222 E N 1.102 121.088 120.200 -0.357 0.000 2.442 222 E HA 0.421 3.598 4.350 -1.956 0.000 0.262 222 E C 1.066 177.108 176.600 -0.930 0.000 1.004 222 E CA 0.146 56.129 56.400 -0.694 0.000 0.928 222 E CB 0.261 29.604 29.700 -0.595 0.000 0.937 222 E HN 0.379 nan 8.360 nan 0.000 0.446 223 G N 1.715 109.552 108.800 -1.605 0.000 2.486 223 G HA2 0.009 2.796 3.960 -1.956 0.000 0.272 223 G HA3 0.009 2.796 3.960 -1.956 0.000 0.272 223 G C -0.150 174.336 174.900 -0.690 0.000 1.426 223 G CA -0.537 44.087 45.100 -0.792 0.000 1.058 223 G HN 0.660 nan 8.290 nan 0.000 0.531 224 N N -0.665 117.932 118.700 -0.171 0.000 2.610 224 N HA 0.211 3.778 4.740 -1.956 0.000 0.307 224 N C 0.213 175.810 175.510 0.145 0.000 1.813 224 N CA -0.213 52.810 53.050 -0.046 0.000 0.901 224 N CB 0.379 38.842 38.487 -0.040 0.000 1.354 224 N HN 0.628 nan 8.380 nan 0.000 0.491 225 T N -2.313 112.461 114.554 0.366 0.000 2.899 225 T HA 0.300 3.476 4.350 -1.956 0.000 0.295 225 T C -1.412 173.471 174.700 0.304 0.000 1.033 225 T CA -1.148 61.166 62.100 0.356 0.000 1.084 225 T CB 1.283 70.402 68.868 0.419 0.000 0.979 225 T HN -0.044 nan 8.240 nan 0.000 0.532 226 P HA 0.014 nan 4.420 nan 0.000 0.218 226 P C 0.278 177.662 177.300 0.140 0.000 1.149 226 P CA 0.778 63.959 63.100 0.135 0.000 0.817 226 P CB -0.139 31.614 31.700 0.087 0.000 0.785 227 D N -0.397 120.080 120.400 0.129 0.000 2.344 227 D HA 0.131 3.597 4.640 -1.956 0.000 0.244 227 D C -2.464 173.904 176.300 0.113 0.000 1.134 227 D CA -2.280 51.760 54.000 0.068 0.000 0.930 227 D CB -0.955 39.839 40.800 -0.011 0.000 1.175 227 D HN 0.029 nan 8.370 nan 0.000 0.437 228 P HA 0.120 nan 4.420 nan 0.000 0.268 228 P C -0.858 176.482 177.300 0.066 0.000 1.205 228 P CA -0.237 62.925 63.100 0.104 0.000 0.771 228 P CB 0.266 31.988 31.700 0.036 0.000 0.858 229 W N 1.983 123.246 121.300 -0.062 0.000 2.578 229 W HA 0.434 5.130 4.660 0.061 0.000 0.353 229 W C 0.014 176.437 176.519 -0.161 0.000 1.088 229 W CA -0.639 56.641 57.345 -0.110 0.000 1.235 229 W CB 0.449 29.860 29.460 -0.082 0.000 1.362 229 W HN 0.178 nan 8.180 nan 0.000 0.592 230 L N 2.676 123.841 121.223 -0.097 0.000 2.540 230 L HA 0.373 3.539 4.340 -1.956 0.000 0.276 230 L C 0.893 177.645 176.870 -0.197 0.000 1.212 230 L CA 0.538 55.148 54.840 -0.383 0.000 0.893 230 L CB -0.579 40.804 42.059 -1.128 0.000 1.138 230 L HN 0.574 nan 8.230 nan 0.000 0.491 231 G N 3.175 111.984 108.800 0.016 0.000 2.798 231 G HA2 0.729 3.515 3.960 -1.956 0.000 0.286 231 G HA3 0.729 3.515 3.960 -1.956 0.000 0.286 231 G C -2.858 172.285 174.900 0.405 0.000 1.389 231 G CA -0.831 44.424 45.100 0.259 0.000 0.894 231 G HN 0.413 nan 8.290 nan 0.000 0.488 232 P HA 0.295 nan 4.420 nan 0.000 0.279 232 P C -0.919 176.523 177.300 0.237 0.000 1.252 232 P CA -0.347 62.880 63.100 0.212 0.000 0.811 232 P CB 1.682 33.464 31.700 0.137 0.000 1.035 233 D N -0.116 120.382 120.400 0.162 0.000 2.414 233 D HA 0.017 3.483 4.640 -1.956 0.000 0.242 233 D C 1.575 177.927 176.300 0.087 0.000 1.129 233 D CA -0.402 53.676 54.000 0.129 0.000 0.885 233 D CB 0.837 41.676 40.800 0.065 0.000 1.198 233 D HN 0.151 nan 8.370 nan 0.000 0.437 234 V N 1.497 121.459 119.914 0.080 0.000 2.370 234 V HA -0.347 2.599 4.120 -1.956 0.000 0.252 234 V C 1.823 177.939 176.094 0.037 0.000 1.068 234 V CA 1.729 64.075 62.300 0.076 0.000 1.061 234 V CB -1.153 30.732 31.823 0.104 0.000 0.656 234 V HN 0.658 nan 8.190 nan 0.000 0.455 235 Q N 0.342 120.132 119.800 -0.017 0.000 2.050 235 Q HA -0.184 2.982 4.340 -1.956 0.000 0.202 235 Q C 2.211 178.186 176.000 -0.043 0.000 0.980 235 Q CA 2.021 57.784 55.803 -0.066 0.000 0.840 235 Q CB -0.336 28.348 28.738 -0.090 0.000 0.898 235 Q HN 0.715 nan 8.270 nan 0.000 0.424 236 D N 0.495 120.891 120.400 -0.006 0.000 2.123 236 D HA -0.121 3.346 4.640 -1.956 0.000 0.200 236 D C 1.940 178.259 176.300 0.031 0.000 0.976 236 D CA 0.623 54.630 54.000 0.012 0.000 0.831 236 D CB -0.125 40.693 40.800 0.029 0.000 0.974 236 D HN 0.100 nan 8.370 nan 0.000 0.469 237 L N 1.255 122.504 121.223 0.044 0.000 2.042 237 L HA -0.152 3.014 4.340 -1.956 0.000 0.210 237 L C 2.193 179.101 176.870 0.063 0.000 1.076 237 L CA 1.780 56.657 54.840 0.061 0.000 0.749 237 L CB -1.007 41.087 42.059 0.059 0.000 0.893 237 L HN -0.075 nan 8.230 nan 0.000 0.432 238 T N -0.497 114.052 114.554 -0.008 0.000 2.684 238 T HA -0.247 2.929 4.350 -1.956 0.000 0.267 238 T C 2.045 176.694 174.700 -0.085 0.000 1.036 238 T CA 1.840 63.825 62.100 -0.191 0.000 1.148 238 T CB -0.276 68.380 68.868 -0.355 0.000 0.863 238 T HN 0.334 nan 8.240 nan 0.000 0.436 239 R N 0.532 121.012 120.500 -0.033 0.000 2.075 239 R HA -0.123 3.043 4.340 -1.956 0.000 0.232 239 R C 2.303 178.705 176.300 0.170 0.000 1.126 239 R CA 1.742 57.880 56.100 0.062 0.000 0.963 239 R CB -0.315 29.993 30.300 0.014 0.000 0.858 239 R HN 0.316 nan 8.270 nan 0.000 0.435 240 D N 0.169 120.646 120.400 0.128 0.000 2.097 240 D HA -0.159 3.307 4.640 -1.956 0.000 0.195 240 D C 1.946 178.356 176.300 0.184 0.000 0.989 240 D CA 1.254 55.333 54.000 0.130 0.000 0.827 240 D CB -0.046 40.812 40.800 0.096 0.000 0.966 240 D HN 0.211 nan 8.370 nan 0.000 0.456 241 L N -0.611 120.767 121.223 0.258 0.000 2.046 241 L HA -0.111 3.055 4.340 -1.956 0.000 0.208 241 L C 2.325 179.477 176.870 0.469 0.000 1.077 241 L CA 0.868 55.938 54.840 0.382 0.000 0.747 241 L CB -0.534 41.806 42.059 0.468 0.000 0.896 241 L HN 0.095 nan 8.230 nan 0.000 0.432 242 F N 1.162 121.363 119.950 0.418 0.000 2.095 242 F HA -0.243 3.110 4.527 -1.957 0.000 0.298 242 F C 2.404 178.287 175.800 0.138 0.000 1.104 242 F CA 1.835 60.045 58.000 0.349 0.000 1.232 242 F CB -0.131 39.054 39.000 0.309 0.000 0.987 242 F HN 0.046 nan 8.300 nan 0.000 0.475 243 E N -0.496 119.780 120.200 0.127 0.000 2.150 243 E HA -0.268 2.909 4.350 -1.956 0.000 0.193 243 E C 2.134 178.677 176.600 -0.096 0.000 0.985 243 E CA 1.148 57.539 56.400 -0.015 0.000 0.814 243 E CB -0.243 29.511 29.700 0.090 0.000 0.752 243 E HN 0.616 nan 8.360 nan 0.000 0.466 244 Q N 0.799 120.575 119.800 -0.039 0.000 2.049 244 Q HA -0.106 3.060 4.340 -1.956 0.000 0.198 244 Q C 1.431 177.333 176.000 -0.163 0.000 0.971 244 Q CA 1.290 57.059 55.803 -0.057 0.000 0.833 244 Q CB 0.333 29.084 28.738 0.022 0.000 0.896 244 Q HN -0.029 nan 8.270 nan 0.000 0.434 245 K N -2.075 118.157 120.400 -0.281 0.000 2.517 245 K HA 0.182 3.329 4.320 -1.956 0.000 0.210 245 K C 0.000 176.191 176.600 -0.683 0.000 1.166 245 K CA 0.454 56.449 56.287 -0.487 0.000 1.030 245 K CB 1.619 33.762 32.500 -0.595 0.000 0.974 245 K HN 0.364 nan 8.250 nan 0.000 0.585 246 G N 2.056 110.447 108.800 -0.682 0.000 2.198 246 G HA2 -0.288 2.498 3.960 -1.956 0.000 0.257 246 G HA3 -0.288 2.498 3.960 -1.956 0.000 0.257 246 G C -0.235 174.452 174.900 -0.354 0.000 1.042 246 G CA -0.007 44.647 45.100 -0.744 0.000 0.791 246 G HN 0.202 nan 8.290 nan 0.000 0.502 247 Y N -0.197 120.086 120.300 -0.028 0.000 2.805 247 Y HA 0.205 3.581 4.550 -1.956 0.000 0.337 247 Y C 1.891 177.867 175.900 0.126 0.000 1.252 247 Y CA 1.095 59.156 58.100 -0.064 0.000 1.515 247 Y CB 0.474 38.672 38.460 -0.436 0.000 1.305 247 Y HN 0.372 nan 8.280 nan 0.000 0.600 248 Q N 1.478 121.387 119.800 0.182 0.000 2.282 248 Q HA 0.468 3.634 4.340 -1.956 0.000 0.206 248 Q C -0.275 175.814 176.000 0.149 0.000 0.878 248 Q CA 0.243 56.161 55.803 0.191 0.000 0.944 248 Q CB 0.692 29.503 28.738 0.122 0.000 1.100 248 Q HN 0.637 nan 8.270 nan 0.000 0.509 249 A N 0.595 123.426 122.820 0.019 0.000 2.517 249 A HA 0.671 3.817 4.320 -1.956 0.000 0.297 249 A C -1.761 175.687 177.584 -0.225 0.000 1.050 249 A CA -0.553 51.517 52.037 0.056 0.000 0.694 249 A CB 0.946 19.996 19.000 0.084 0.000 1.277 249 A HN 0.138 nan 8.150 nan 0.000 0.400 250 F N 1.256 121.222 119.950 0.027 0.000 2.507 250 F HA 0.574 3.929 4.527 -1.953 0.000 0.325 250 F C -0.007 175.636 175.800 -0.261 0.000 1.116 250 F CA -0.649 57.238 58.000 -0.188 0.000 0.930 250 F CB 2.523 41.404 39.000 -0.198 0.000 1.146 250 F HN 0.313 nan 8.300 nan 0.000 0.447 251 V N 4.175 123.938 119.914 -0.252 0.000 2.357 251 V HA 0.307 3.254 4.120 -1.956 0.000 0.284 251 V C -1.002 174.890 176.094 -0.338 0.000 1.018 251 V CA -0.995 61.186 62.300 -0.197 0.000 0.841 251 V CB 0.855 32.603 31.823 -0.125 0.000 0.991 251 V HN 0.516 nan 8.190 nan 0.000 0.437 252 Y N 3.355 123.589 120.300 -0.110 0.000 2.335 252 Y HA 0.543 3.919 4.550 -1.957 0.000 0.339 252 Y C 0.162 175.998 175.900 -0.107 0.000 0.987 252 Y CA -0.706 57.337 58.100 -0.095 0.000 1.140 252 Y CB 1.832 40.236 38.460 -0.092 0.000 1.173 252 Y HN 0.353 nan 8.280 nan 0.000 0.486 253 V N 6.525 126.388 119.914 -0.085 0.000 2.266 253 V HA 0.272 3.218 4.120 -1.956 0.000 0.271 253 V C -2.381 173.496 176.094 -0.360 0.000 1.032 253 V CA -1.954 60.124 62.300 -0.370 0.000 0.806 253 V CB 1.217 32.715 31.823 -0.540 0.000 1.052 253 V HN 0.557 nan 8.190 nan 0.000 0.449 254 P HA 0.125 nan 4.420 nan 0.000 0.225 254 P C 0.977 178.307 177.300 0.050 0.000 1.813 254 P CA 0.215 63.358 63.100 0.070 0.000 1.013 254 P CB 1.014 32.874 31.700 0.267 0.000 1.961 255 V N 2.559 122.323 119.914 -0.252 0.000 2.688 255 V HA -0.170 2.777 4.120 -1.956 0.000 0.256 255 V C 2.122 178.337 176.094 0.202 0.000 1.084 255 V CA 2.731 64.916 62.300 -0.191 0.000 1.103 255 V CB -1.136 30.495 31.823 -0.320 0.000 0.688 255 V HN 0.461 nan 8.190 nan 0.000 0.480 256 G N -1.123 107.756 108.800 0.132 0.000 2.509 256 G HA2 -0.082 2.704 3.960 -1.956 0.000 0.218 256 G HA3 -0.082 2.704 3.960 -1.956 0.000 0.218 256 G C 0.371 175.169 174.900 -0.170 0.000 1.124 256 G CA 0.141 45.252 45.100 0.019 0.000 0.776 256 G HN 0.505 nan 8.290 nan 0.000 0.547 257 F N -0.720 119.378 119.950 0.248 0.000 2.422 257 F HA 0.425 3.768 4.527 -1.974 0.000 0.333 257 F C 0.942 176.895 175.800 0.255 0.000 1.095 257 F CA -1.054 57.090 58.000 0.241 0.000 1.038 257 F CB 2.171 41.293 39.000 0.203 0.000 1.156 257 F HN -0.109 nan 8.300 nan 0.000 0.483 258 V N -0.812 119.315 119.914 0.355 0.000 3.605 258 V HA 0.736 3.682 4.120 -1.956 0.000 0.284 258 V C 0.298 176.378 176.094 -0.023 0.000 1.386 258 V CA 0.368 62.760 62.300 0.153 0.000 1.053 258 V CB -0.340 31.634 31.823 0.251 0.000 0.857 258 V HN 0.726 nan 8.190 nan 0.000 0.436 259 A N -0.372 122.440 122.820 -0.014 0.000 2.594 259 A HA 0.705 3.851 4.320 -1.956 0.000 0.291 259 A C -1.251 176.205 177.584 -0.214 0.000 1.105 259 A CA -0.441 51.458 52.037 -0.230 0.000 0.694 259 A CB 1.181 19.838 19.000 -0.572 0.000 1.291 259 A HN 0.097 nan 8.150 nan 0.000 0.410 260 D N 2.242 122.552 120.400 -0.150 0.000 2.662 260 D HA 0.259 3.725 4.640 -1.956 0.000 0.228 260 D C 0.081 176.431 176.300 0.084 0.000 1.090 260 D CA 0.918 54.912 54.000 -0.010 0.000 1.118 260 D CB -0.555 40.271 40.800 0.043 0.000 1.129 260 D HN 0.402 nan 8.370 nan 0.000 0.472 261 H N 0.009 119.128 119.070 0.083 0.000 2.748 261 H HA 0.191 3.572 4.556 -1.958 0.000 0.315 261 H C 1.136 176.483 175.328 0.031 0.000 1.429 261 H CA -0.943 55.160 56.048 0.091 0.000 1.444 261 H CB 0.452 30.299 29.762 0.142 0.000 1.827 261 H HN 0.023 nan 8.280 nan 0.000 0.754 262 L N 0.885 122.215 121.223 0.179 0.000 2.079 262 L HA -0.144 3.022 4.340 -1.956 0.000 0.210 262 L C 1.620 178.480 176.870 -0.017 0.000 1.081 262 L CA 1.721 56.562 54.840 0.002 0.000 0.752 262 L CB -0.438 41.530 42.059 -0.152 0.000 0.896 262 L HN 0.514 nan 8.230 nan 0.000 0.433 263 E N -1.172 118.990 120.200 -0.063 0.000 2.204 263 E HA -0.154 3.023 4.350 -1.956 0.000 0.195 263 E C 2.050 178.410 176.600 -0.400 0.000 0.990 263 E CA 1.338 57.574 56.400 -0.274 0.000 0.821 263 E CB -0.172 29.200 29.700 -0.546 0.000 0.750 263 E HN 0.415 nan 8.360 nan 0.000 0.477 264 V N -0.206 119.531 119.914 -0.294 0.000 2.490 264 V HA -0.050 2.896 4.120 -1.956 0.000 0.238 264 V C 2.046 178.108 176.094 -0.054 0.000 1.056 264 V CA 0.693 62.880 62.300 -0.189 0.000 1.075 264 V CB -0.366 31.396 31.823 -0.102 0.000 0.746 264 V HN 0.185 nan 8.190 nan 0.000 0.479 265 L N -1.298 119.928 121.223 0.004 0.000 2.131 265 L HA -0.194 2.972 4.340 -1.956 0.000 0.210 265 L C 2.369 179.269 176.870 0.049 0.000 1.092 265 L CA 1.994 56.859 54.840 0.040 0.000 0.759 265 L CB -0.473 41.629 42.059 0.071 0.000 0.903 265 L HN 0.410 nan 8.230 nan 0.000 0.435 266 Y N 0.350 120.600 120.300 -0.083 0.000 2.284 266 Y HA -0.070 3.302 4.550 -1.963 0.000 0.293 266 Y C 2.276 178.145 175.900 -0.052 0.000 1.140 266 Y CA 0.933 58.993 58.100 -0.066 0.000 1.153 266 Y CB 0.127 38.509 38.460 -0.130 0.000 1.114 266 Y HN 0.064 nan 8.280 nan 0.000 0.521 267 D N -0.279 120.130 120.400 0.015 0.000 2.219 267 D HA -0.144 3.322 4.640 -1.956 0.000 0.205 267 D C 1.318 177.508 176.300 -0.183 0.000 0.970 267 D CA 1.077 55.031 54.000 -0.076 0.000 0.851 267 D CB -0.044 40.711 40.800 -0.074 0.000 0.943 267 D HN 0.411 nan 8.370 nan 0.000 0.488 268 N N 0.268 118.859 118.700 -0.182 0.000 2.413 268 N HA -0.057 3.509 4.740 -1.956 0.000 0.193 268 N C 1.075 176.413 175.510 -0.287 0.000 1.043 268 N CA 0.562 53.482 53.050 -0.217 0.000 0.910 268 N CB -0.140 38.295 38.487 -0.086 0.000 1.111 268 N HN 0.006 nan 8.380 nan 0.000 0.452 269 D N -0.019 120.271 120.400 -0.184 0.000 2.264 269 D HA -0.111 3.355 4.640 -1.956 0.000 0.208 269 D C 1.414 177.440 176.300 -0.456 0.000 0.966 269 D CA 0.743 54.559 54.000 -0.305 0.000 0.864 269 D CB 0.054 40.811 40.800 -0.071 0.000 0.933 269 D HN 0.354 nan 8.370 nan 0.000 0.499 270 Y N 0.989 120.960 120.300 -0.548 0.000 2.333 270 Y HA 0.124 3.497 4.550 -1.962 0.000 0.287 270 Y C 2.018 177.562 175.900 -0.594 0.000 1.149 270 Y CA 0.809 58.523 58.100 -0.644 0.000 1.193 270 Y CB 0.015 37.899 38.460 -0.960 0.000 1.175 270 Y HN -0.221 nan 8.280 nan 0.000 0.518 271 E N -0.358 119.397 120.200 -0.740 0.000 2.077 271 E HA -0.214 2.962 4.350 -1.956 0.000 0.193 271 E C 2.193 178.449 176.600 -0.573 0.000 0.989 271 E CA 1.638 57.637 56.400 -0.668 0.000 0.800 271 E CB -0.354 29.159 29.700 -0.312 0.000 0.746 271 E HN 0.469 nan 8.360 nan 0.000 0.452 272 C N 0.759 119.741 119.300 -0.530 0.000 2.457 272 C HA -0.039 3.247 4.460 -1.956 0.000 0.278 272 C C 2.557 177.245 174.990 -0.503 0.000 1.309 272 C CA 0.475 59.193 59.018 -0.501 0.000 1.735 272 C CB -0.525 26.770 27.740 -0.742 0.000 1.992 272 C HN 0.346 nan 8.230 nan 0.000 0.493 273 K N 1.559 121.498 120.400 -0.768 0.000 2.103 273 K HA -0.122 3.025 4.320 -1.956 0.000 0.207 273 K C 1.703 177.990 176.600 -0.521 0.000 1.048 273 K CA 1.546 57.368 56.287 -0.776 0.000 0.930 273 K CB -0.561 31.329 32.500 -1.016 0.000 0.716 273 K HN 0.295 nan 8.250 nan 0.000 0.444 274 V N 0.025 119.567 119.914 -0.620 0.000 2.282 274 V HA -0.271 2.676 4.120 -1.956 0.000 0.249 274 V C 2.258 178.145 176.094 -0.346 0.000 1.057 274 V CA 1.925 63.922 62.300 -0.506 0.000 1.032 274 V CB -0.384 31.063 31.823 -0.626 0.000 0.645 274 V HN 0.201 nan 8.190 nan 0.000 0.447 275 V N 0.703 120.415 119.914 -0.336 0.000 2.307 275 V HA -0.244 2.702 4.120 -1.956 0.000 0.245 275 V C 2.809 178.745 176.094 -0.263 0.000 1.045 275 V CA 2.496 64.635 62.300 -0.269 0.000 1.024 275 V CB -1.262 30.408 31.823 -0.254 0.000 0.651 275 V HN 0.835 nan 8.190 nan 0.000 0.449 276 T N -2.079 112.338 114.554 -0.228 0.000 2.788 276 T HA -0.240 2.936 4.350 -1.956 0.000 0.268 276 T C 1.575 176.189 174.700 -0.144 0.000 1.044 276 T CA 1.732 63.745 62.100 -0.144 0.000 1.139 276 T CB -0.504 68.406 68.868 0.070 0.000 0.867 276 T HN 0.369 nan 8.240 nan 0.000 0.454 277 D N 1.390 121.689 120.400 -0.168 0.000 2.117 277 D HA -0.052 3.414 4.640 -1.956 0.000 0.197 277 D C 1.932 178.142 176.300 -0.150 0.000 0.987 277 D CA 1.237 55.148 54.000 -0.149 0.000 0.829 277 D CB -0.659 40.039 40.800 -0.169 0.000 0.961 277 D HN 0.476 nan 8.370 nan 0.000 0.460 278 D N -0.121 120.171 120.400 -0.179 0.000 2.144 278 D HA -0.088 3.378 4.640 -1.956 0.000 0.200 278 D C 1.989 178.172 176.300 -0.194 0.000 0.978 278 D CA 0.721 54.623 54.000 -0.163 0.000 0.833 278 D CB 0.002 40.705 40.800 -0.162 0.000 0.961 278 D HN 0.387 nan 8.370 nan 0.000 0.470 279 I N -4.465 115.923 120.570 -0.303 0.000 3.728 279 I HA 0.346 3.342 4.170 -1.956 0.000 0.307 279 I C 1.291 177.163 176.117 -0.409 0.000 1.276 279 I CA 0.615 61.601 61.300 -0.523 0.000 1.285 279 I CB -0.080 37.259 38.000 -1.102 0.000 1.038 279 I HN 0.109 nan 8.210 nan 0.000 0.445 280 G N 1.871 110.544 108.800 -0.210 0.000 2.149 280 G HA2 -0.133 2.653 3.960 -1.956 0.000 0.235 280 G HA3 -0.133 2.653 3.960 -1.956 0.000 0.235 280 G C 0.176 175.066 174.900 -0.017 0.000 1.018 280 G CA 0.061 45.112 45.100 -0.082 0.000 0.728 280 G HN 0.922 nan 8.290 nan 0.000 0.508 281 A N -0.344 122.468 122.820 -0.013 0.000 2.294 281 A HA 0.892 4.039 4.320 -1.956 0.000 0.330 281 A C 0.683 178.346 177.584 0.131 0.000 1.133 281 A CA 0.394 52.514 52.037 0.139 0.000 0.836 281 A CB 1.091 20.298 19.000 0.345 0.000 1.190 281 A HN 0.980 nan 8.150 nan 0.000 0.492 282 S N -0.121 115.669 115.700 0.151 0.000 2.580 282 S HA 0.388 3.684 4.470 -1.956 0.000 0.274 282 S C -0.847 173.807 174.600 0.091 0.000 1.329 282 S CA 0.105 58.337 58.200 0.053 0.000 1.036 282 S CB 0.326 63.559 63.200 0.055 0.000 0.919 282 S HN 0.547 nan 8.310 nan 0.000 0.515 283 Y N 2.678 122.846 120.300 -0.219 0.000 2.335 283 Y HA 0.560 3.935 4.550 -1.959 0.000 0.338 283 Y C -1.525 174.146 175.900 -0.383 0.000 0.977 283 Y CA -0.808 57.232 58.100 -0.100 0.000 1.114 283 Y CB 0.608 39.015 38.460 -0.088 0.000 1.182 283 Y HN 0.608 nan 8.280 nan 0.000 0.463 284 Y N 5.172 125.208 120.300 -0.441 0.000 2.477 284 Y HA 0.639 4.015 4.550 -1.957 0.000 0.347 284 Y C -0.448 175.175 175.900 -0.462 0.000 0.981 284 Y CA -1.193 56.708 58.100 -0.332 0.000 1.033 284 Y CB 1.845 40.191 38.460 -0.190 0.000 1.245 284 Y HN 0.447 nan 8.280 nan 0.000 0.455 285 R N 3.592 124.046 120.500 -0.076 0.000 2.695 285 R HA 0.396 3.562 4.340 -1.956 0.000 0.288 285 R C -3.335 173.068 176.300 0.171 0.000 1.344 285 R CA -1.817 54.304 56.100 0.034 0.000 1.005 285 R CB 1.295 31.621 30.300 0.044 0.000 1.233 285 R HN 0.492 nan 8.270 nan 0.000 0.442 286 P HA 0.101 nan 4.420 nan 0.000 0.271 286 P C -0.462 176.993 177.300 0.258 0.000 1.233 286 P CA -0.258 62.982 63.100 0.234 0.000 0.789 286 P CB 0.634 32.496 31.700 0.271 0.000 0.951 287 E N 0.703 120.985 120.200 0.136 0.000 2.452 287 E HA 0.021 3.197 4.350 -1.956 0.000 0.261 287 E C 0.098 176.766 176.600 0.114 0.000 0.987 287 E CA 0.012 56.481 56.400 0.114 0.000 0.926 287 E CB 0.202 29.942 29.700 0.066 0.000 0.934 287 E HN 0.277 nan 8.360 nan 0.000 0.452 288 M N 3.655 123.335 119.600 0.132 0.000 2.240 288 M HA 0.073 3.379 4.480 -1.956 0.000 0.333 288 M C -1.597 174.610 176.300 -0.155 0.000 1.110 288 M CA -2.349 53.007 55.300 0.092 0.000 1.173 288 M CB -0.388 32.279 32.600 0.112 0.000 1.458 288 M HN 0.207 nan 8.290 nan 0.000 0.458 289 P HA -0.134 nan 4.420 nan 0.000 0.215 289 P C -0.084 176.923 177.300 -0.488 0.000 1.153 289 P CA 1.170 63.691 63.100 -0.965 0.000 0.853 289 P CB 0.063 30.716 31.700 -1.746 0.000 0.788 290 N N -2.096 116.405 118.700 -0.332 0.000 1.170 290 N HA -0.270 3.296 4.740 -1.956 0.000 0.121 290 N C 0.405 175.942 175.510 0.045 0.000 0.786 290 N CA 1.184 54.174 53.050 -0.101 0.000 0.876 290 N CB -1.673 36.787 38.487 -0.044 0.000 1.094 290 N HN 0.132 nan 8.380 nan 0.000 0.586 291 A N 0.338 123.202 122.820 0.073 0.000 2.610 291 A HA 0.191 3.337 4.320 -1.956 0.000 0.286 291 A C -0.185 177.449 177.584 0.083 0.000 1.306 291 A CA -0.115 51.993 52.037 0.120 0.000 0.942 291 A CB 0.054 19.108 19.000 0.089 0.000 1.112 291 A HN 0.281 nan 8.150 nan 0.000 0.527 292 K N 0.851 121.294 120.400 0.071 0.000 2.382 292 K HA 0.129 3.275 4.320 -1.956 0.000 0.275 292 K C -1.753 174.870 176.600 0.038 0.000 1.009 292 K CA -1.407 54.911 56.287 0.052 0.000 0.970 292 K CB 0.752 33.289 32.500 0.061 0.000 0.934 292 K HN -0.003 nan 8.250 nan 0.000 0.479 293 P HA -0.273 nan 4.420 nan 0.000 0.216 293 P C 1.077 178.328 177.300 -0.081 0.000 1.154 293 P CA 1.406 64.454 63.100 -0.088 0.000 0.865 293 P CB 0.203 31.866 31.700 -0.062 0.000 0.789 294 E N -1.710 118.506 120.200 0.026 0.000 2.085 294 E HA -0.228 2.948 4.350 -1.956 0.000 0.194 294 E C 1.855 178.514 176.600 0.097 0.000 0.994 294 E CA 0.945 57.394 56.400 0.082 0.000 0.801 294 E CB -0.552 29.262 29.700 0.189 0.000 0.743 294 E HN 0.096 nan 8.360 nan 0.000 0.453 295 F N 1.393 121.278 119.950 -0.108 0.000 2.113 295 F HA -0.162 3.191 4.527 -1.956 0.000 0.297 295 F C 1.973 177.679 175.800 -0.157 0.000 1.103 295 F CA 1.013 58.912 58.000 -0.168 0.000 1.248 295 F CB -0.230 38.590 39.000 -0.300 0.000 0.999 295 F HN 0.055 nan 8.300 nan 0.000 0.475 296 I N 0.589 121.007 120.570 -0.253 0.000 2.208 296 I HA -0.301 2.695 4.170 -1.956 0.000 0.245 296 I C 2.177 178.084 176.117 -0.350 0.000 1.097 296 I CA 1.868 62.938 61.300 -0.385 0.000 1.363 296 I CB -1.610 36.221 38.000 -0.283 0.000 1.051 296 I HN 0.202 nan 8.210 nan 0.000 0.413 297 D N 0.697 120.919 120.400 -0.298 0.000 2.144 297 D HA -0.111 3.355 4.640 -1.956 0.000 0.199 297 D C 2.219 178.474 176.300 -0.074 0.000 0.984 297 D CA 1.430 55.370 54.000 -0.101 0.000 0.834 297 D CB 0.184 40.965 40.800 -0.031 0.000 0.955 297 D HN 0.276 nan 8.370 nan 0.000 0.465 298 A N 0.210 122.962 122.820 -0.114 0.000 1.883 298 A HA -0.131 3.015 4.320 -1.956 0.000 0.217 298 A C 2.402 179.813 177.584 -0.289 0.000 1.186 298 A CA 1.168 53.148 52.037 -0.095 0.000 0.624 298 A CB -0.923 18.120 19.000 0.072 0.000 0.822 298 A HN 0.356 nan 8.150 nan 0.000 0.444 299 L N -0.897 119.986 121.223 -0.567 0.000 2.046 299 L HA -0.217 2.949 4.340 -1.956 0.000 0.208 299 L C 3.114 179.716 176.870 -0.447 0.000 1.077 299 L CA 1.106 55.515 54.840 -0.719 0.000 0.747 299 L CB -0.617 40.885 42.059 -0.929 0.000 0.896 299 L HN 0.476 nan 8.230 nan 0.000 0.432 300 A N -0.456 122.186 122.820 -0.296 0.000 1.933 300 A HA -0.192 2.954 4.320 -1.956 0.000 0.218 300 A C 2.342 179.825 177.584 -0.169 0.000 1.175 300 A CA 2.271 54.184 52.037 -0.206 0.000 0.628 300 A CB -0.829 18.151 19.000 -0.034 0.000 0.814 300 A HN 0.379 nan 8.150 nan 0.000 0.444 301 T N -0.339 114.141 114.554 -0.123 0.000 2.746 301 T HA -0.115 3.062 4.350 -1.956 0.000 0.267 301 T C 1.880 176.527 174.700 -0.089 0.000 1.039 301 T CA 1.499 63.553 62.100 -0.076 0.000 1.142 301 T CB -0.431 68.418 68.868 -0.032 0.000 0.866 301 T HN 0.153 nan 8.240 nan 0.000 0.444 302 V N 1.235 121.063 119.914 -0.143 0.000 2.287 302 V HA -0.173 2.773 4.120 -1.956 0.000 0.248 302 V C 2.651 178.674 176.094 -0.119 0.000 1.053 302 V CA 1.485 63.707 62.300 -0.131 0.000 1.027 302 V CB -0.697 30.972 31.823 -0.257 0.000 0.646 302 V HN 0.317 nan 8.190 nan 0.000 0.447 303 V N -0.412 119.393 119.914 -0.182 0.000 2.295 303 V HA -0.246 2.701 4.120 -1.956 0.000 0.246 303 V C 2.271 178.323 176.094 -0.070 0.000 1.049 303 V CA 2.008 64.215 62.300 -0.155 0.000 1.024 303 V CB -0.498 31.157 31.823 -0.281 0.000 0.648 303 V HN 0.440 nan 8.190 nan 0.000 0.447 304 L N -0.621 120.561 121.223 -0.069 0.000 2.093 304 L HA -0.184 2.982 4.340 -1.956 0.000 0.208 304 L C 2.586 179.460 176.870 0.008 0.000 1.085 304 L CA 1.604 56.443 54.840 -0.002 0.000 0.755 304 L CB -0.610 41.443 42.059 -0.009 0.000 0.904 304 L HN 0.292 nan 8.230 nan 0.000 0.435 305 K N 0.207 120.602 120.400 -0.008 0.000 2.063 305 K HA -0.245 2.902 4.320 -1.956 0.000 0.208 305 K C 2.149 178.759 176.600 0.015 0.000 1.048 305 K CA 1.397 57.687 56.287 0.005 0.000 0.928 305 K CB -0.111 32.391 32.500 0.004 0.000 0.713 305 K HN -0.022 nan 8.250 nan 0.000 0.442 306 K N 1.430 121.839 120.400 0.014 0.000 2.147 306 K HA -0.078 3.068 4.320 -1.956 0.000 0.205 306 K C 1.437 178.059 176.600 0.037 0.000 1.049 306 K CA 1.164 57.468 56.287 0.028 0.000 0.936 306 K CB -0.016 32.502 32.500 0.031 0.000 0.722 306 K HN 0.084 nan 8.250 nan 0.000 0.446 307 L N -0.765 120.484 121.223 0.044 0.000 2.612 307 L HA 0.216 3.382 4.340 -1.956 0.000 0.230 307 L C 1.036 177.929 176.870 0.038 0.000 1.140 307 L CA 0.309 55.182 54.840 0.054 0.000 0.896 307 L CB -0.215 41.899 42.059 0.092 0.000 1.065 307 L HN 0.505 nan 8.230 nan 0.000 0.447 308 G N 0.342 109.159 108.800 0.029 0.000 2.166 308 G HA2 -0.255 2.531 3.960 -1.956 0.000 0.260 308 G HA3 -0.255 2.531 3.960 -1.956 0.000 0.260 308 G C 0.491 175.403 174.900 0.019 0.000 0.986 308 G CA 0.142 45.254 45.100 0.021 0.000 0.683 308 G HN 0.260 nan 8.290 nan 0.000 0.527 309 R N 0.000 120.515 120.500 0.025 0.000 2.786 309 R HA 0.000 3.166 4.340 -1.956 0.000 0.208 309 R CA 0.000 56.114 56.100 0.023 0.000 0.921 309 R CB 0.000 30.322 30.300 0.037 0.000 0.687 309 R HN 0.000 nan 8.270 nan 0.000 0.535