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 2qj8_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEAPHLTFDL DTPGVSTGHL VVPKGADCEA LSLPVFSCNR GEGPSLLITG DATA SEQUENCE GNHGNELQGP ILARRLVKWL PEAQRCGRII IVPEINPLAV QAWTRNTPID DATA SEQUENCE GKNLNRVFPG RSDGSVSERI ADAISRLLLP VVDTVLDLHS FGPTWDCAPS DATA SEQUENCE IISHPIADID QXTKTVSISK AFKLPVTLLW EHNETDGXFD TLVHRQGKTF DATA SEQUENCE ICTEFGGGXX XXXXLTIYEA GVRNGLIALG LVKGKAXXXX XXXXXXGQTL DATA SEQUENCE ETTSSDQLKS PSPGIFEPRC SVXDEVEQGD VVGVLHPXGS LSAASIDIRA DATA SEQUENCE QSKSTVFAIR SAXYVQGNEE VAILARPLAR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.201 58.200 0.002 0.000 1.107 2 S CB 0.000 63.202 63.200 0.003 0.000 0.593 3 E N 0.153 120.365 120.200 0.019 0.000 2.212 3 E HA 0.700 5.050 4.350 -0.000 0.000 0.268 3 E C -0.347 176.287 176.600 0.056 0.000 0.902 3 E CA -0.990 55.433 56.400 0.040 0.000 0.779 3 E CB 1.911 31.655 29.700 0.073 0.000 1.172 3 E HN 0.962 nan 8.360 nan 0.000 0.409 4 A N 4.419 127.282 122.820 0.072 0.000 2.264 4 A HA 0.601 4.921 4.320 -0.000 0.000 0.304 4 A C -2.374 175.309 177.584 0.164 0.000 1.100 4 A CA -1.519 50.564 52.037 0.076 0.000 0.839 4 A CB 0.440 19.467 19.000 0.044 0.000 1.121 4 A HN 0.550 nan 8.150 nan 0.000 0.496 5 P HA 0.284 nan 4.420 nan 0.000 0.271 5 P C -1.072 176.284 177.300 0.093 0.000 1.218 5 P CA 0.663 63.782 63.100 0.031 0.000 0.780 5 P CB 0.550 32.236 31.700 -0.025 0.000 0.901 6 H N 0.459 119.516 119.070 -0.021 0.000 3.014 6 H HA 0.426 4.982 4.556 -0.000 0.000 0.337 6 H C -1.378 173.927 175.328 -0.038 0.000 1.320 6 H CA -1.039 54.987 56.048 -0.037 0.000 1.128 6 H CB 0.260 30.003 29.762 -0.032 0.000 1.862 6 H HN 0.179 nan 8.280 nan 0.000 0.536 7 L N 1.274 122.472 121.223 -0.041 0.000 2.357 7 L HA 0.234 4.573 4.340 -0.000 0.000 0.273 7 L C 1.591 178.479 176.870 0.029 0.000 1.080 7 L CA -0.235 54.523 54.840 -0.136 0.000 0.803 7 L CB 1.727 43.520 42.059 -0.443 0.000 1.174 7 L HN 0.911 nan 8.230 nan 0.000 0.443 8 T N -1.660 112.982 114.554 0.146 0.000 3.148 8 T HA 0.125 4.474 4.350 -0.000 0.000 0.253 8 T C 0.006 174.880 174.700 0.291 0.000 1.134 8 T CA 0.046 62.304 62.100 0.264 0.000 1.051 8 T CB -0.447 68.610 68.868 0.315 0.000 0.959 8 T HN 0.382 nan 8.240 nan 0.000 0.525 9 F N -1.094 118.895 119.950 0.066 0.000 2.692 9 F HA 0.780 5.307 4.527 -0.000 0.000 0.320 9 F C -1.402 174.411 175.800 0.021 0.000 1.123 9 F CA -2.161 55.859 58.000 0.033 0.000 0.961 9 F CB 0.736 39.743 39.000 0.011 0.000 1.383 9 F HN -0.205 nan 8.300 nan 0.000 0.483 10 D N 1.288 121.731 120.400 0.071 0.000 2.274 10 D HA 0.316 4.956 4.640 -0.000 0.000 0.239 10 D C 0.739 177.051 176.300 0.020 0.000 1.104 10 D CA -0.245 53.736 54.000 -0.031 0.000 0.840 10 D CB 1.321 42.140 40.800 0.031 0.000 1.100 10 D HN 0.700 nan 8.370 nan 0.000 0.477 11 L N 2.556 123.709 121.223 -0.117 0.000 2.191 11 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 11 L C 1.123 178.005 176.870 0.020 0.000 1.103 11 L CA 0.843 55.671 54.840 -0.020 0.000 0.769 11 L CB -0.058 41.955 42.059 -0.076 0.000 0.908 11 L HN 0.405 nan 8.230 nan 0.000 0.438 12 D N -0.984 119.418 120.400 0.002 0.000 2.363 12 D HA -0.036 4.604 4.640 -0.000 0.000 0.220 12 D C 0.721 177.030 176.300 0.015 0.000 0.994 12 D CA 0.405 54.408 54.000 0.004 0.000 0.890 12 D CB -0.150 40.647 40.800 -0.004 0.000 0.906 12 D HN 0.153 nan 8.370 nan 0.000 0.530 13 T N 3.864 118.441 114.554 0.037 0.000 2.867 13 T HA 0.110 4.460 4.350 -0.000 0.000 0.297 13 T C -2.220 172.486 174.700 0.010 0.000 0.989 13 T CA -0.945 61.175 62.100 0.034 0.000 1.159 13 T CB 1.087 69.993 68.868 0.064 0.000 0.928 13 T HN 0.073 nan 8.240 nan 0.000 0.538 14 P HA 0.336 nan 4.420 nan 0.000 0.272 14 P C 0.760 178.043 177.300 -0.027 0.000 1.223 14 P CA 0.229 63.321 63.100 -0.014 0.000 0.784 14 P CB 0.412 32.105 31.700 -0.011 0.000 0.923 15 G N 1.099 109.875 108.800 -0.040 0.000 2.553 15 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.242 15 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.242 15 G C -0.843 173.996 174.900 -0.101 0.000 1.277 15 G CA -0.288 44.779 45.100 -0.055 0.000 0.910 15 G HN 0.528 nan 8.290 nan 0.000 0.576 16 V N 1.203 121.053 119.914 -0.107 0.000 2.432 16 V HA 0.590 4.710 4.120 -0.000 0.000 0.271 16 V C 0.508 176.477 176.094 -0.210 0.000 1.046 16 V CA 0.430 62.619 62.300 -0.186 0.000 0.945 16 V CB 1.053 32.845 31.823 -0.052 0.000 0.992 16 V HN 0.925 nan 8.190 nan 0.000 0.471 17 S N 2.894 118.379 115.700 -0.358 0.000 2.542 17 S HA 0.803 5.273 4.470 -0.000 0.000 0.293 17 S C -0.087 174.140 174.600 -0.622 0.000 1.089 17 S CA -0.738 57.207 58.200 -0.424 0.000 0.961 17 S CB 2.173 65.144 63.200 -0.382 0.000 1.062 17 S HN 0.944 nan 8.310 nan 0.000 0.483 18 T N -0.742 113.462 114.554 -0.583 0.000 2.893 18 T HA 0.924 5.273 4.350 -0.000 0.000 0.293 18 T C 0.103 174.420 174.700 -0.638 0.000 1.027 18 T CA -0.475 61.316 62.100 -0.516 0.000 0.988 18 T CB 1.826 70.585 68.868 -0.182 0.000 1.043 18 T HN 0.885 nan 8.240 nan 0.000 0.461 19 G N 1.194 109.655 108.800 -0.565 0.000 2.562 19 G HA2 0.575 4.535 3.960 -0.000 0.000 0.190 19 G HA3 0.575 4.535 3.960 -0.000 0.000 0.190 19 G C -1.958 172.758 174.900 -0.306 0.000 1.196 19 G CA -0.777 44.188 45.100 -0.224 0.000 0.986 19 G HN 0.946 nan 8.290 nan 0.000 0.512 20 H N -1.547 117.690 119.070 0.278 0.000 2.961 20 H HA 0.656 5.212 4.556 -0.000 0.000 0.371 20 H C -1.238 174.162 175.328 0.120 0.000 1.190 20 H CA -0.560 55.589 56.048 0.168 0.000 1.138 20 H CB 2.387 32.199 29.762 0.083 0.000 1.816 20 H HN 0.494 nan 8.280 nan 0.000 0.551 21 L N 2.348 123.673 121.223 0.170 0.000 2.265 21 L HA 0.452 4.792 4.340 -0.000 0.000 0.289 21 L C -1.200 175.648 176.870 -0.038 0.000 1.033 21 L CA -0.521 54.333 54.840 0.023 0.000 0.814 21 L CB 0.734 42.811 42.059 0.030 0.000 1.203 21 L HN 0.468 nan 8.230 nan 0.000 0.423 22 V N 6.364 126.149 119.914 -0.214 0.000 2.406 22 V HA 0.325 4.444 4.120 -0.000 0.000 0.272 22 V C -0.060 175.923 176.094 -0.186 0.000 1.043 22 V CA -0.598 61.552 62.300 -0.251 0.000 0.915 22 V CB 1.391 32.917 31.823 -0.495 0.000 0.988 22 V HN 0.517 nan 8.190 nan 0.000 0.466 23 V N 8.451 128.312 119.914 -0.090 0.000 2.333 23 V HA 0.297 4.417 4.120 -0.000 0.000 0.274 23 V C -2.093 173.978 176.094 -0.038 0.000 1.028 23 V CA -1.898 60.367 62.300 -0.059 0.000 0.851 23 V CB 1.226 33.025 31.823 -0.041 0.000 1.000 23 V HN 0.726 nan 8.190 nan 0.000 0.456 24 P HA 0.052 nan 4.420 nan 0.000 0.269 24 P C -0.084 177.213 177.300 -0.004 0.000 1.217 24 P CA -0.306 62.795 63.100 0.002 0.000 0.783 24 P CB 0.570 32.279 31.700 0.016 0.000 0.898 25 K N 0.759 121.161 120.400 0.002 0.000 2.440 25 K HA 0.363 4.683 4.320 -0.000 0.000 0.270 25 K C 0.336 176.934 176.600 -0.004 0.000 0.980 25 K CA 0.325 56.612 56.287 -0.001 0.000 0.953 25 K CB -0.233 32.269 32.500 0.003 0.000 0.925 25 K HN 0.692 nan 8.250 nan 0.000 0.497 26 G N 0.287 109.083 108.800 -0.006 0.000 2.870 26 G HA2 0.459 4.418 3.960 -0.000 0.000 0.299 26 G HA3 0.459 4.418 3.960 -0.000 0.000 0.299 26 G C -0.063 174.834 174.900 -0.005 0.000 1.324 26 G CA -0.119 44.976 45.100 -0.008 0.000 0.808 26 G HN 0.618 nan 8.290 nan 0.000 0.535 27 A N -0.606 122.210 122.820 -0.006 0.000 2.067 27 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 27 A C 1.695 179.277 177.584 -0.003 0.000 1.158 27 A CA 2.490 54.524 52.037 -0.004 0.000 0.661 27 A CB -0.356 18.641 19.000 -0.005 0.000 0.801 27 A HN 0.626 nan 8.150 nan 0.000 0.452 28 D N -2.002 118.396 120.400 -0.003 0.000 2.423 28 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 28 D C 0.628 176.928 176.300 0.000 0.000 1.068 28 D CA 0.621 54.620 54.000 -0.001 0.000 0.860 28 D CB -0.849 39.950 40.800 -0.001 0.000 0.992 28 D HN 0.621 nan 8.370 nan 0.000 0.504 29 C N -1.667 117.633 119.300 -0.001 0.000 3.295 29 C HA 0.613 5.073 4.460 -0.000 0.000 0.341 29 C C -0.420 174.570 174.990 -0.001 0.000 1.418 29 C CA -1.096 57.922 59.018 0.000 0.000 1.240 29 C CB 1.603 29.344 27.740 0.002 0.000 1.562 29 C HN 0.015 nan 8.230 nan 0.000 0.457 30 E N 0.942 121.142 120.200 -0.000 0.000 2.397 30 E HA 0.482 4.831 4.350 -0.000 0.000 0.254 30 E C 0.733 177.331 176.600 -0.003 0.000 1.231 30 E CA 0.302 56.702 56.400 -0.001 0.000 0.954 30 E CB 0.597 30.297 29.700 -0.000 0.000 1.024 30 E HN 1.122 nan 8.360 nan 0.000 0.481 31 A N 1.035 123.853 122.820 -0.003 0.000 2.520 31 A HA 0.262 4.581 4.320 -0.000 0.000 0.235 31 A C -0.016 177.561 177.584 -0.012 0.000 1.065 31 A CA 0.151 52.184 52.037 -0.008 0.000 0.764 31 A CB 0.006 19.005 19.000 -0.003 0.000 1.002 31 A HN 0.421 nan 8.150 nan 0.000 0.502 32 L N 1.212 122.425 121.223 -0.016 0.000 2.342 32 L HA 0.486 4.826 4.340 -0.000 0.000 0.271 32 L C 0.045 176.905 176.870 -0.016 0.000 1.008 32 L CA -0.390 54.443 54.840 -0.011 0.000 0.818 32 L CB 2.288 44.346 42.059 -0.001 0.000 1.296 32 L HN 0.617 nan 8.230 nan 0.000 0.427 33 S N 3.072 118.768 115.700 -0.006 0.000 2.669 33 S HA 0.511 4.981 4.470 -0.000 0.000 0.315 33 S C -0.677 174.010 174.600 0.146 0.000 1.106 33 S CA -0.504 57.706 58.200 0.017 0.000 1.107 33 S CB 0.750 63.858 63.200 -0.153 0.000 0.990 33 S HN 0.205 nan 8.310 nan 0.000 0.471 34 L N 5.432 126.752 121.223 0.161 0.000 2.260 34 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 34 L C -2.335 174.644 176.870 0.182 0.000 1.057 34 L CA -2.139 52.793 54.840 0.154 0.000 0.811 34 L CB 0.053 42.167 42.059 0.092 0.000 1.184 34 L HN 0.289 nan 8.230 nan 0.000 0.429 35 P HA 0.156 nan 4.420 nan 0.000 0.268 35 P C -0.860 176.433 177.300 -0.012 0.000 1.205 35 P CA -0.016 63.024 63.100 -0.100 0.000 0.771 35 P CB 0.819 32.471 31.700 -0.080 0.000 0.858 36 V N 3.939 123.839 119.914 -0.023 0.000 2.789 36 V HA 0.498 4.617 4.120 -0.000 0.000 0.311 36 V C -0.696 175.441 176.094 0.072 0.000 1.073 36 V CA -0.589 61.783 62.300 0.120 0.000 0.921 36 V CB 1.839 33.829 31.823 0.277 0.000 1.009 36 V HN 0.411 nan 8.190 nan 0.000 0.426 37 F N 3.113 123.048 119.950 -0.026 0.000 2.508 37 F HA 0.820 5.347 4.527 -0.000 0.000 0.325 37 F C -0.069 175.739 175.800 0.013 0.000 1.090 37 F CA -0.050 57.903 58.000 -0.078 0.000 0.945 37 F CB 2.029 41.004 39.000 -0.042 0.000 1.156 37 F HN 0.475 nan 8.300 nan 0.000 0.463 38 S N 5.306 120.511 115.700 -0.825 0.000 2.575 38 S HA 0.531 5.001 4.470 -0.000 0.000 0.278 38 S C -1.748 172.344 174.600 -0.847 0.000 1.139 38 S CA -0.564 57.289 58.200 -0.579 0.000 0.954 38 S CB 1.076 64.266 63.200 -0.017 0.000 1.054 38 S HN 0.958 nan 8.310 nan 0.000 0.483 39 C N 5.795 124.746 119.300 -0.583 0.000 2.321 39 C HA 0.641 5.100 4.460 -0.000 0.000 0.323 39 C C -0.484 174.428 174.990 -0.131 0.000 1.191 39 C CA -0.728 58.093 59.018 -0.327 0.000 1.455 39 C CB -0.503 27.162 27.740 -0.125 0.000 2.083 39 C HN 0.876 nan 8.230 nan 0.000 0.442 40 N N 4.209 122.848 118.700 -0.102 0.000 2.501 40 N HA 0.394 5.134 4.740 -0.000 0.000 0.245 40 N C 0.212 175.699 175.510 -0.039 0.000 0.974 40 N CA -0.177 52.843 53.050 -0.050 0.000 0.941 40 N CB 0.577 39.042 38.487 -0.035 0.000 1.122 40 N HN 0.620 nan 8.380 nan 0.000 0.507 41 R N 2.637 123.120 120.500 -0.029 0.000 2.791 41 R HA 0.341 4.681 4.340 -0.000 0.000 0.357 41 R C 0.863 177.153 176.300 -0.018 0.000 1.173 41 R CA -0.086 55.999 56.100 -0.026 0.000 1.060 41 R CB -0.518 29.764 30.300 -0.029 0.000 1.406 41 R HN 0.862 nan 8.270 nan 0.000 0.580 42 G N 0.426 109.218 108.800 -0.015 0.000 2.498 42 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.245 42 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.245 42 G C -0.760 174.136 174.900 -0.007 0.000 1.204 42 G CA -0.317 44.777 45.100 -0.010 0.000 0.933 42 G HN 0.207 nan 8.290 nan 0.000 0.574 43 E N 0.450 120.647 120.200 -0.005 0.000 2.383 43 E HA 0.537 4.887 4.350 -0.000 0.000 0.264 43 E C 0.889 177.489 176.600 -0.001 0.000 1.050 43 E CA 1.090 57.489 56.400 -0.002 0.000 0.896 43 E CB 0.763 30.461 29.700 -0.002 0.000 0.982 43 E HN 2.397 nan 8.360 nan 0.000 0.424 44 G N 1.562 110.364 108.800 0.002 0.000 2.357 44 G HA2 0.170 4.130 3.960 -0.000 0.000 0.289 44 G HA3 0.170 4.130 3.960 -0.000 0.000 0.289 44 G C -2.870 172.037 174.900 0.010 0.000 1.302 44 G CA -0.992 44.111 45.100 0.005 0.000 0.936 44 G HN 0.597 nan 8.290 nan 0.000 0.513 45 P HA 0.413 nan 4.420 nan 0.000 0.269 45 P C -0.092 177.225 177.300 0.028 0.000 1.215 45 P CA 0.049 63.163 63.100 0.023 0.000 0.780 45 P CB 0.932 32.649 31.700 0.029 0.000 0.898 46 S N 1.662 117.381 115.700 0.033 0.000 2.482 46 S HA 0.760 5.229 4.470 -0.000 0.000 0.303 46 S C -0.975 173.657 174.600 0.054 0.000 1.091 46 S CA -0.749 57.474 58.200 0.038 0.000 1.057 46 S CB 1.029 64.245 63.200 0.028 0.000 1.031 46 S HN 0.357 nan 8.310 nan 0.000 0.485 47 L N 2.500 123.764 121.223 0.068 0.000 2.482 47 L HA 0.740 5.080 4.340 -0.000 0.000 0.263 47 L C -1.874 175.058 176.870 0.103 0.000 0.957 47 L CA -0.765 54.130 54.840 0.091 0.000 0.836 47 L CB 2.074 44.197 42.059 0.107 0.000 1.324 47 L HN 0.863 nan 8.230 nan 0.000 0.406 48 L N 5.675 126.963 121.223 0.108 0.000 2.322 48 L HA 0.701 5.041 4.340 -0.000 0.000 0.281 48 L C -1.229 175.724 176.870 0.138 0.000 1.014 48 L CA -0.112 54.798 54.840 0.116 0.000 0.815 48 L CB 1.399 43.514 42.059 0.093 0.000 1.247 48 L HN 0.543 nan 8.230 nan 0.000 0.421 49 I N 4.280 124.939 120.570 0.148 0.000 2.389 49 I HA 0.423 4.592 4.170 -0.000 0.000 0.288 49 I C -0.281 175.913 176.117 0.128 0.000 0.999 49 I CA -0.513 60.877 61.300 0.150 0.000 1.129 49 I CB 1.854 39.949 38.000 0.157 0.000 1.288 49 I HN 0.687 nan 8.210 nan 0.000 0.444 50 T N 1.833 116.460 114.554 0.120 0.000 2.856 50 T HA 0.829 5.179 4.350 -0.000 0.000 0.283 50 T C -0.128 174.613 174.700 0.069 0.000 1.008 50 T CA -0.770 61.388 62.100 0.096 0.000 0.997 50 T CB 2.214 71.139 68.868 0.095 0.000 0.992 50 T HN 0.747 nan 8.240 nan 0.000 0.454 51 G N -0.870 107.950 108.800 0.032 0.000 2.658 51 G HA2 0.622 4.582 3.960 -0.000 0.000 0.292 51 G HA3 0.622 4.582 3.960 -0.000 0.000 0.292 51 G C 0.627 175.515 174.900 -0.021 0.000 1.320 51 G CA -0.564 44.522 45.100 -0.023 0.000 0.933 51 G HN 1.809 nan 8.290 nan 0.000 0.476 52 G N -0.381 108.386 108.800 -0.055 0.000 2.198 52 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 52 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 52 G C 0.990 175.862 174.900 -0.046 0.000 1.025 52 G CA 1.026 46.100 45.100 -0.042 0.000 0.769 52 G HN 1.008 nan 8.290 nan 0.000 0.507 53 N N -0.225 118.427 118.700 -0.080 0.000 2.223 53 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 53 N C 0.919 176.223 175.510 -0.343 0.000 1.016 53 N CA 1.433 54.371 53.050 -0.187 0.000 0.863 53 N CB 0.002 38.349 38.487 -0.233 0.000 0.983 53 N HN 0.635 nan 8.380 nan 0.000 0.429 54 H N -2.312 116.728 119.070 -0.050 0.000 2.529 54 H HA 0.333 4.889 4.556 -0.000 0.000 0.348 54 H C 0.645 175.906 175.328 -0.111 0.000 1.152 54 H CA -0.130 55.864 56.048 -0.091 0.000 1.202 54 H CB 1.732 31.409 29.762 -0.142 0.000 1.562 54 H HN 0.223 nan 8.280 nan 0.000 0.515 55 G N 1.026 109.829 108.800 0.004 0.000 2.880 55 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 55 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.209 55 G C 0.654 175.441 174.900 -0.189 0.000 1.157 55 G CA -0.124 44.943 45.100 -0.055 0.000 0.779 55 G HN 0.563 nan 8.290 nan 0.000 0.539 56 N N 0.177 118.638 118.700 -0.399 0.000 2.320 56 N HA 0.142 4.881 4.740 -0.000 0.000 0.237 56 N C -0.309 174.958 175.510 -0.406 0.000 1.129 56 N CA -0.303 52.218 53.050 -0.882 0.000 0.854 56 N CB 0.689 38.410 38.487 -1.275 0.000 1.083 56 N HN 0.020 nan 8.380 nan 0.000 0.504 57 E N 0.952 121.059 120.200 -0.156 0.000 2.316 57 E HA 0.202 4.552 4.350 -0.000 0.000 0.254 57 E C -0.338 176.220 176.600 -0.071 0.000 0.902 57 E CA -0.358 55.996 56.400 -0.076 0.000 0.801 57 E CB 0.853 30.497 29.700 -0.092 0.000 1.270 57 E HN -0.014 nan 8.360 nan 0.000 0.414 58 L N 2.901 124.114 121.223 -0.016 0.000 2.616 58 L HA 0.093 4.433 4.340 -0.000 0.000 0.229 58 L C 1.681 178.472 176.870 -0.131 0.000 1.110 58 L CA 0.347 55.165 54.840 -0.037 0.000 0.884 58 L CB -0.116 41.976 42.059 0.055 0.000 1.115 58 L HN 0.397 nan 8.230 nan 0.000 0.481 59 Q N 0.068 119.743 119.800 -0.208 0.000 2.119 59 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 59 Q C 2.136 177.790 176.000 -0.576 0.000 0.972 59 Q CA 1.419 57.052 55.803 -0.283 0.000 0.847 59 Q CB -0.324 28.335 28.738 -0.131 0.000 0.903 59 Q HN 0.459 nan 8.270 nan 0.000 0.433 60 G N 2.149 110.388 108.800 -0.936 0.000 2.480 60 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 60 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 60 G C -0.952 173.740 174.900 -0.346 0.000 1.200 60 G CA 0.622 45.220 45.100 -0.836 0.000 0.782 60 G HN 0.330 nan 8.290 nan 0.000 0.554 61 P HA -0.104 nan 4.420 nan 0.000 0.216 61 P C 1.881 179.123 177.300 -0.097 0.000 1.154 61 P CA 0.928 63.956 63.100 -0.119 0.000 0.865 61 P CB -0.068 31.584 31.700 -0.080 0.000 0.789 62 I N -1.801 118.704 120.570 -0.109 0.000 2.202 62 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 62 I C 2.234 178.312 176.117 -0.065 0.000 1.091 62 I CA 1.020 62.277 61.300 -0.071 0.000 1.368 62 I CB -0.672 37.295 38.000 -0.055 0.000 1.058 62 I HN -0.080 nan 8.210 nan 0.000 0.410 63 L N 1.144 122.317 121.223 -0.083 0.000 2.042 63 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 63 L C 2.561 179.412 176.870 -0.031 0.000 1.076 63 L CA 2.183 57.002 54.840 -0.035 0.000 0.749 63 L CB -0.853 41.212 42.059 0.010 0.000 0.893 63 L HN 0.222 nan 8.230 nan 0.000 0.432 64 A N -0.533 122.258 122.820 -0.049 0.000 1.908 64 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 64 A C 2.427 179.970 177.584 -0.070 0.000 1.181 64 A CA 2.009 54.026 52.037 -0.034 0.000 0.627 64 A CB -0.563 18.419 19.000 -0.030 0.000 0.818 64 A HN 0.514 nan 8.150 nan 0.000 0.445 65 R N -0.919 119.538 120.500 -0.072 0.000 2.115 65 R HA -0.029 4.311 4.340 -0.000 0.000 0.230 65 R C 2.428 178.678 176.300 -0.084 0.000 1.111 65 R CA 1.263 57.310 56.100 -0.087 0.000 0.976 65 R CB -0.225 30.040 30.300 -0.059 0.000 0.870 65 R HN 0.506 nan 8.270 nan 0.000 0.445 66 R N 0.408 120.875 120.500 -0.055 0.000 2.081 66 R HA -0.086 4.253 4.340 -0.000 0.000 0.235 66 R C 2.236 178.537 176.300 0.002 0.000 1.131 66 R CA 1.192 57.271 56.100 -0.035 0.000 0.960 66 R CB -0.365 29.905 30.300 -0.050 0.000 0.856 66 R HN 0.192 nan 8.270 nan 0.000 0.436 67 L N 0.145 121.369 121.223 0.000 0.000 2.046 67 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 67 L C 2.386 179.203 176.870 -0.089 0.000 1.077 67 L CA 0.949 55.847 54.840 0.097 0.000 0.747 67 L CB -0.465 41.649 42.059 0.091 0.000 0.896 67 L HN 0.027 nan 8.230 nan 0.000 0.432 68 V N 0.059 119.756 119.914 -0.361 0.000 2.324 68 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 68 V C 2.411 178.222 176.094 -0.472 0.000 1.060 68 V CA 1.923 63.700 62.300 -0.872 0.000 1.042 68 V CB -0.511 30.898 31.823 -0.691 0.000 0.650 68 V HN 0.445 nan 8.190 nan 0.000 0.450 69 K N -2.043 118.261 120.400 -0.160 0.000 2.243 69 K HA -0.135 4.185 4.320 -0.000 0.000 0.201 69 K C 1.872 178.529 176.600 0.095 0.000 1.051 69 K CA 1.273 57.548 56.287 -0.019 0.000 0.970 69 K CB -0.096 32.410 32.500 0.009 0.000 0.755 69 K HN 0.656 nan 8.250 nan 0.000 0.465 70 W N 1.096 122.348 121.300 -0.079 0.000 2.588 70 W HA 0.097 4.756 4.660 -0.000 0.000 0.277 70 W C 1.193 177.712 176.519 -0.001 0.000 1.221 70 W CA 0.338 57.664 57.345 -0.031 0.000 1.355 70 W CB -0.005 29.439 29.460 -0.027 0.000 1.083 70 W HN -0.168 nan 8.180 nan 0.000 0.581 71 L N 1.361 122.565 121.223 -0.031 0.000 2.131 71 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 71 L C -0.538 176.272 176.870 -0.101 0.000 1.092 71 L CA 1.014 55.751 54.840 -0.173 0.000 0.759 71 L CB -2.037 40.076 42.059 0.089 0.000 0.903 71 L HN -0.091 nan 8.230 nan 0.000 0.435 72 P HA -0.186 nan 4.420 nan 0.000 0.216 72 P C 1.326 178.582 177.300 -0.072 0.000 1.150 72 P CA 1.317 64.429 63.100 0.020 0.000 0.843 72 P CB 0.087 31.827 31.700 0.067 0.000 0.787 73 E N -1.310 118.806 120.200 -0.140 0.000 2.166 73 E HA 0.096 4.445 4.350 -0.000 0.000 0.192 73 E C 2.021 178.462 176.600 -0.265 0.000 0.967 73 E CA 0.922 57.227 56.400 -0.159 0.000 0.840 73 E CB -0.692 28.943 29.700 -0.109 0.000 0.795 73 E HN 0.131 nan 8.360 nan 0.000 0.470 74 A N 1.098 123.607 122.820 -0.518 0.000 2.021 74 A HA -0.068 4.251 4.320 -0.000 0.000 0.216 74 A C 1.522 178.832 177.584 -0.456 0.000 1.163 74 A CA 0.160 51.798 52.037 -0.664 0.000 0.676 74 A CB -0.251 17.799 19.000 -1.584 0.000 0.818 74 A HN 0.147 nan 8.150 nan 0.000 0.453 75 Q N 0.251 119.840 119.800 -0.352 0.000 2.271 75 Q HA 0.125 4.465 4.340 -0.000 0.000 0.273 75 Q C 0.833 176.759 176.000 -0.123 0.000 1.051 75 Q CA -0.180 55.508 55.803 -0.191 0.000 0.901 75 Q CB 0.615 29.294 28.738 -0.098 0.000 1.174 75 Q HN 0.334 nan 8.270 nan 0.000 0.385 76 R N 1.918 122.364 120.500 -0.091 0.000 2.173 76 R HA 0.122 4.461 4.340 -0.000 0.000 0.208 76 R C 0.575 176.851 176.300 -0.040 0.000 1.035 76 R CA 1.088 57.152 56.100 -0.060 0.000 1.004 76 R CB -0.731 29.541 30.300 -0.047 0.000 0.917 76 R HN 0.919 nan 8.270 nan 0.000 0.462 77 C N -4.898 114.384 119.300 -0.031 0.000 3.272 77 C HA 0.859 5.319 4.460 -0.000 0.000 0.363 77 C C 0.965 175.949 174.990 -0.010 0.000 1.514 77 C CA -0.695 58.312 59.018 -0.019 0.000 1.185 77 C CB 1.009 28.742 27.740 -0.013 0.000 1.716 77 C HN 0.913 nan 8.230 nan 0.000 0.440 78 G N 0.925 109.722 108.800 -0.005 0.000 2.601 78 G HA2 0.049 4.008 3.960 -0.000 0.000 0.252 78 G HA3 0.049 4.008 3.960 -0.000 0.000 0.252 78 G C -0.628 174.274 174.900 0.002 0.000 1.294 78 G CA 0.301 45.403 45.100 0.003 0.000 0.912 78 G HN 1.400 nan 8.290 nan 0.000 0.574 79 R N -0.631 119.877 120.500 0.013 0.000 2.538 79 R HA 0.642 4.982 4.340 -0.000 0.000 0.292 79 R C -0.954 175.369 176.300 0.039 0.000 1.008 79 R CA -0.851 55.257 56.100 0.012 0.000 0.896 79 R CB 0.906 31.211 30.300 0.008 0.000 1.187 79 R HN 0.545 nan 8.270 nan 0.000 0.440 80 I N 6.251 126.852 120.570 0.051 0.000 2.418 80 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 80 I C -0.314 175.877 176.117 0.124 0.000 1.008 80 I CA -0.711 60.657 61.300 0.113 0.000 1.104 80 I CB 1.932 40.035 38.000 0.173 0.000 1.264 80 I HN 0.463 nan 8.210 nan 0.000 0.438 81 I N 7.041 127.695 120.570 0.140 0.000 2.412 81 I HA 0.509 4.678 4.170 -0.000 0.000 0.296 81 I C -0.464 175.791 176.117 0.229 0.000 0.987 81 I CA -0.586 60.811 61.300 0.160 0.000 1.180 81 I CB 1.841 39.913 38.000 0.120 0.000 1.340 81 I HN 0.374 nan 8.210 nan 0.000 0.455 82 I N 6.135 126.890 120.570 0.308 0.000 2.499 82 I HA 0.353 4.522 4.170 -0.000 0.000 0.288 82 I C -0.863 175.370 176.117 0.193 0.000 1.048 82 I CA -0.808 60.642 61.300 0.249 0.000 1.062 82 I CB 2.291 40.434 38.000 0.238 0.000 1.238 82 I HN 0.146 nan 8.210 nan 0.000 0.426 83 V N 7.620 127.614 119.914 0.134 0.000 2.289 83 V HA 0.219 4.339 4.120 -0.000 0.000 0.272 83 V C -1.868 174.267 176.094 0.068 0.000 1.026 83 V CA -1.160 61.202 62.300 0.103 0.000 0.807 83 V CB 1.076 32.961 31.823 0.104 0.000 1.044 83 V HN 0.604 nan 8.190 nan 0.000 0.443 84 P HA -0.063 nan 4.420 nan 0.000 0.218 84 P C 0.130 177.433 177.300 0.004 0.000 1.149 84 P CA 1.064 64.171 63.100 0.011 0.000 0.817 84 P CB 0.331 32.026 31.700 -0.008 0.000 0.785 85 E N -1.103 119.110 120.200 0.022 0.000 2.460 85 E HA 0.160 4.510 4.350 -0.000 0.000 0.249 85 E C 0.774 177.396 176.600 0.037 0.000 0.962 85 E CA -0.171 56.241 56.400 0.020 0.000 0.787 85 E CB 0.220 29.933 29.700 0.022 0.000 1.341 85 E HN 0.134 nan 8.360 nan 0.000 0.407 86 I N -0.984 119.609 120.570 0.039 0.000 2.830 86 I HA 0.099 4.268 4.170 -0.000 0.000 0.263 86 I C 0.616 176.758 176.117 0.042 0.000 1.230 86 I CA 0.725 62.059 61.300 0.057 0.000 1.480 86 I CB 0.315 38.367 38.000 0.088 0.000 1.095 86 I HN 0.154 nan 8.210 nan 0.000 0.455 87 N N 1.953 120.667 118.700 0.022 0.000 2.918 87 N HA 0.278 5.018 4.740 -0.000 0.000 0.270 87 N C -1.791 173.732 175.510 0.022 0.000 1.536 87 N CA -2.282 50.777 53.050 0.015 0.000 0.877 87 N CB 0.608 39.090 38.487 -0.007 0.000 1.190 87 N HN 0.075 nan 8.380 nan 0.000 0.492 88 P HA -0.139 nan 4.420 nan 0.000 0.218 88 P C 1.657 178.980 177.300 0.039 0.000 1.148 88 P CA 0.785 63.908 63.100 0.038 0.000 0.822 88 P CB 0.709 32.434 31.700 0.042 0.000 0.784 89 L N -0.464 120.779 121.223 0.033 0.000 2.012 89 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 89 L C 2.779 179.674 176.870 0.042 0.000 1.073 89 L CA 1.870 56.731 54.840 0.034 0.000 0.748 89 L CB -1.251 40.824 42.059 0.026 0.000 0.891 89 L HN -0.034 nan 8.230 nan 0.000 0.431 90 A N -0.491 122.350 122.820 0.035 0.000 1.898 90 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 90 A C 2.322 179.935 177.584 0.049 0.000 1.181 90 A CA 1.616 53.674 52.037 0.035 0.000 0.620 90 A CB -0.812 18.201 19.000 0.023 0.000 0.819 90 A HN 0.187 nan 8.150 nan 0.000 0.442 91 V N 0.130 120.076 119.914 0.052 0.000 2.332 91 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 91 V C 2.609 178.780 176.094 0.130 0.000 1.055 91 V CA 2.353 64.702 62.300 0.083 0.000 1.038 91 V CB -0.898 30.963 31.823 0.062 0.000 0.651 91 V HN 0.654 nan 8.190 nan 0.000 0.450 92 Q N -0.527 119.332 119.800 0.098 0.000 2.245 92 Q HA 0.034 4.373 4.340 -0.000 0.000 0.201 92 Q C 2.126 178.197 176.000 0.119 0.000 0.955 92 Q CA 1.292 57.154 55.803 0.099 0.000 0.870 92 Q CB -0.209 28.569 28.738 0.066 0.000 0.945 92 Q HN 0.660 nan 8.270 nan 0.000 0.461 93 A N -0.029 122.862 122.820 0.119 0.000 2.251 93 A HA -0.072 4.247 4.320 -0.000 0.000 0.209 93 A C 0.398 178.113 177.584 0.218 0.000 1.187 93 A CA -0.433 51.682 52.037 0.130 0.000 0.823 93 A CB -0.592 18.459 19.000 0.086 0.000 0.846 93 A HN 0.691 nan 8.150 nan 0.000 0.486 94 W N 1.696 123.009 121.300 0.021 0.000 5.770 94 W HA -0.264 4.396 4.660 -0.000 0.000 0.389 94 W C -0.484 176.051 176.519 0.027 0.000 1.469 94 W CA 1.179 58.537 57.345 0.022 0.000 0.975 94 W CB -1.915 27.556 29.460 0.018 0.000 2.622 94 W HN 0.521 nan 8.180 nan 0.000 1.500 95 T N -2.034 112.487 114.554 -0.055 0.000 2.932 95 T HA 0.527 4.877 4.350 -0.000 0.000 0.289 95 T C 0.729 175.352 174.700 -0.128 0.000 1.039 95 T CA -0.312 61.733 62.100 -0.091 0.000 1.024 95 T CB 2.159 71.026 68.868 -0.001 0.000 1.090 95 T HN 0.263 nan 8.240 nan 0.000 0.496 96 R N 0.874 121.305 120.500 -0.114 0.000 2.062 96 R HA 0.075 4.415 4.340 -0.000 0.000 0.229 96 R C 0.368 176.738 176.300 0.117 0.000 1.128 96 R CA 0.969 57.023 56.100 -0.077 0.000 0.960 96 R CB 0.033 30.245 30.300 -0.146 0.000 0.855 96 R HN 0.641 nan 8.270 nan 0.000 0.432 97 N N -0.700 118.046 118.700 0.077 0.000 2.592 97 N HA 0.146 4.885 4.740 -0.000 0.000 0.292 97 N C -1.145 174.394 175.510 0.049 0.000 1.260 97 N CA -0.443 52.666 53.050 0.099 0.000 0.910 97 N CB 1.325 39.867 38.487 0.092 0.000 1.257 97 N HN -0.071 nan 8.380 nan 0.000 0.569 98 T N 2.878 117.455 114.554 0.039 0.000 2.792 98 T HA 0.044 4.394 4.350 -0.000 0.000 0.286 98 T C -1.298 173.417 174.700 0.026 0.000 0.970 98 T CA -0.554 61.562 62.100 0.026 0.000 1.187 98 T CB 0.542 69.421 68.868 0.018 0.000 0.915 98 T HN 0.358 nan 8.240 nan 0.000 0.529 99 P HA -0.008 nan 4.420 nan 0.000 0.221 99 P C 1.481 178.794 177.300 0.022 0.000 1.150 99 P CA 0.822 63.938 63.100 0.027 0.000 0.800 99 P CB 0.173 31.893 31.700 0.034 0.000 0.787 100 I N 1.325 121.906 120.570 0.019 0.000 2.233 100 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 100 I C 1.864 177.988 176.117 0.012 0.000 1.093 100 I CA 2.062 63.370 61.300 0.014 0.000 1.380 100 I CB -0.520 37.486 38.000 0.010 0.000 1.067 100 I HN 0.040 nan 8.210 nan 0.000 0.413 101 D N -0.425 119.981 120.400 0.011 0.000 2.407 101 D HA 0.100 4.740 4.640 -0.000 0.000 0.208 101 D C 1.520 177.828 176.300 0.013 0.000 1.083 101 D CA 0.694 54.700 54.000 0.009 0.000 0.844 101 D CB 0.267 41.069 40.800 0.003 0.000 0.967 101 D HN 0.327 nan 8.370 nan 0.000 0.506 102 G N 0.570 109.380 108.800 0.018 0.000 2.168 102 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 102 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 102 G C 0.079 174.995 174.900 0.027 0.000 0.977 102 G CA 0.449 45.562 45.100 0.022 0.000 0.659 102 G HN 0.477 nan 8.290 nan 0.000 0.533 103 K N 0.223 120.639 120.400 0.026 0.000 2.118 103 K HA 0.386 4.706 4.320 -0.000 0.000 0.267 103 K C -0.091 176.537 176.600 0.047 0.000 0.991 103 K CA -0.835 55.471 56.287 0.032 0.000 0.916 103 K CB 0.777 33.290 32.500 0.021 0.000 1.041 103 K HN 0.100 nan 8.250 nan 0.000 0.455 104 N N 3.232 121.971 118.700 0.066 0.000 2.402 104 N HA -0.025 4.714 4.740 -0.000 0.000 0.252 104 N C 0.582 176.134 175.510 0.070 0.000 1.118 104 N CA -0.179 52.927 53.050 0.094 0.000 0.945 104 N CB 0.664 39.239 38.487 0.146 0.000 1.147 104 N HN 0.559 nan 8.380 nan 0.000 0.495 105 L N 4.707 125.954 121.223 0.040 0.000 2.043 105 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 105 L C 1.825 178.821 176.870 0.210 0.000 1.075 105 L CA 1.779 56.665 54.840 0.077 0.000 0.752 105 L CB -0.860 41.230 42.059 0.052 0.000 0.891 105 L HN 0.690 nan 8.230 nan 0.000 0.432 106 N N -0.312 118.474 118.700 0.144 0.000 2.084 106 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 106 N C 1.826 177.446 175.510 0.183 0.000 1.030 106 N CA 1.208 54.351 53.050 0.155 0.000 0.849 106 N CB -0.039 38.489 38.487 0.067 0.000 1.012 106 N HN 0.336 nan 8.380 nan 0.000 0.423 107 R N 0.819 121.401 120.500 0.137 0.000 2.189 107 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 107 R C 2.020 178.390 176.300 0.116 0.000 1.092 107 R CA 0.664 56.830 56.100 0.110 0.000 0.989 107 R CB -0.796 29.552 30.300 0.081 0.000 0.876 107 R HN 0.402 nan 8.270 nan 0.000 0.457 108 V N -2.778 117.214 119.914 0.129 0.000 3.541 108 V HA 0.151 4.271 4.120 -0.000 0.000 0.267 108 V C 0.809 176.944 176.094 0.069 0.000 1.213 108 V CA -0.195 62.147 62.300 0.070 0.000 1.149 108 V CB -0.813 31.017 31.823 0.011 0.000 0.822 108 V HN -0.177 nan 8.190 nan 0.000 0.462 109 F N 3.058 122.993 119.950 -0.024 0.000 2.629 109 F HA 0.284 4.810 4.527 -0.001 0.000 0.369 109 F C -0.599 175.180 175.800 -0.035 0.000 1.125 109 F CA -1.079 56.897 58.000 -0.039 0.000 1.330 109 F CB 0.390 39.350 39.000 -0.065 0.000 1.071 109 F HN 0.116 nan 8.300 nan 0.000 0.595 110 P HA 0.151 nan 4.420 nan 0.000 0.255 110 P C 0.613 177.787 177.300 -0.210 0.000 1.357 110 P CA 0.842 63.921 63.100 -0.035 0.000 0.839 110 P CB -0.104 31.607 31.700 0.018 0.000 1.356 111 G N 1.665 110.351 108.800 -0.189 0.000 2.633 111 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.263 111 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.263 111 G C -0.568 174.266 174.900 -0.111 0.000 1.310 111 G CA 0.033 45.028 45.100 -0.176 0.000 0.914 111 G HN 0.762 nan 8.290 nan 0.000 0.569 112 R N -2.468 117.972 120.500 -0.100 0.000 2.594 112 R HA 0.662 5.002 4.340 -0.000 0.000 0.265 112 R C 1.105 177.366 176.300 -0.064 0.000 1.070 112 R CA 0.084 56.143 56.100 -0.069 0.000 0.909 112 R CB 0.938 31.210 30.300 -0.046 0.000 1.243 112 R HN 1.162 nan 8.270 nan 0.000 0.455 113 S N 0.193 115.862 115.700 -0.051 0.000 2.399 113 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 113 S C 0.793 175.374 174.600 -0.032 0.000 1.022 113 S CA 1.405 59.580 58.200 -0.042 0.000 0.983 113 S CB -0.411 62.771 63.200 -0.030 0.000 0.803 113 S HN 0.833 nan 8.310 nan 0.000 0.480 114 D N 1.067 121.449 120.400 -0.029 0.000 2.463 114 D HA 0.357 4.997 4.640 -0.000 0.000 0.224 114 D C 0.692 176.978 176.300 -0.023 0.000 1.174 114 D CA -0.181 53.806 54.000 -0.022 0.000 0.829 114 D CB -0.292 40.498 40.800 -0.017 0.000 0.993 114 D HN 0.405 nan 8.370 nan 0.000 0.497 115 G N 0.158 108.940 108.800 -0.031 0.000 2.583 115 G HA2 0.439 4.399 3.960 -0.000 0.000 0.280 115 G HA3 0.439 4.399 3.960 -0.000 0.000 0.280 115 G C 0.164 175.047 174.900 -0.027 0.000 1.376 115 G CA -0.298 44.784 45.100 -0.029 0.000 1.043 115 G HN 0.243 nan 8.290 nan 0.000 0.538 116 S N -1.572 114.113 115.700 -0.024 0.000 2.606 116 S HA 0.057 4.526 4.470 -0.000 0.000 0.257 116 S C 1.594 176.178 174.600 -0.027 0.000 1.327 116 S CA 0.162 58.350 58.200 -0.020 0.000 0.984 116 S CB 1.167 64.359 63.200 -0.014 0.000 0.941 116 S HN 0.947 nan 8.310 nan 0.000 0.576 117 V N 1.421 121.323 119.914 -0.020 0.000 2.282 117 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 117 V C 2.490 178.562 176.094 -0.035 0.000 1.057 117 V CA 2.827 65.113 62.300 -0.023 0.000 1.032 117 V CB -1.318 30.498 31.823 -0.012 0.000 0.645 117 V HN 0.996 nan 8.190 nan 0.000 0.447 118 S N -0.279 115.403 115.700 -0.031 0.000 2.370 118 S HA -0.247 4.222 4.470 -0.000 0.000 0.226 118 S C 1.716 176.264 174.600 -0.087 0.000 1.033 118 S CA 1.987 60.163 58.200 -0.041 0.000 1.011 118 S CB -0.408 62.782 63.200 -0.018 0.000 0.852 118 S HN 0.796 nan 8.310 nan 0.000 0.457 119 E N 0.886 121.037 120.200 -0.082 0.000 2.106 119 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 119 E C 2.362 178.879 176.600 -0.138 0.000 0.984 119 E CA 0.672 57.003 56.400 -0.115 0.000 0.806 119 E CB -0.111 29.544 29.700 -0.075 0.000 0.750 119 E HN 0.428 nan 8.360 nan 0.000 0.458 120 R N 0.440 120.880 120.500 -0.099 0.000 2.092 120 R HA -0.042 4.297 4.340 -0.000 0.000 0.231 120 R C 2.390 178.620 176.300 -0.116 0.000 1.119 120 R CA 0.861 56.905 56.100 -0.093 0.000 0.970 120 R CB -0.274 29.992 30.300 -0.058 0.000 0.864 120 R HN 0.192 nan 8.270 nan 0.000 0.440 121 I N 0.872 121.372 120.570 -0.115 0.000 2.179 121 I HA -0.264 3.905 4.170 -0.000 0.000 0.242 121 I C 2.671 178.655 176.117 -0.222 0.000 1.088 121 I CA 1.359 62.591 61.300 -0.113 0.000 1.357 121 I CB -0.440 37.522 38.000 -0.063 0.000 1.051 121 I HN 0.159 nan 8.210 nan 0.000 0.409 122 A N 0.419 122.996 122.820 -0.405 0.000 1.902 122 A HA -0.314 4.006 4.320 -0.000 0.000 0.217 122 A C 1.999 179.178 177.584 -0.676 0.000 1.181 122 A CA 2.377 53.826 52.037 -0.980 0.000 0.623 122 A CB -0.844 17.496 19.000 -1.099 0.000 0.818 122 A HN 0.484 nan 8.150 nan 0.000 0.443 123 D N -0.364 119.818 120.400 -0.363 0.000 2.123 123 D HA -0.059 4.581 4.640 -0.000 0.000 0.196 123 D C 1.985 178.202 176.300 -0.139 0.000 0.992 123 D CA 1.660 55.535 54.000 -0.209 0.000 0.833 123 D CB -0.162 40.554 40.800 -0.138 0.000 0.954 123 D HN 0.356 nan 8.370 nan 0.000 0.455 124 A N -0.018 122.727 122.820 -0.124 0.000 1.898 124 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 124 A C 2.385 179.943 177.584 -0.043 0.000 1.181 124 A CA 1.183 53.176 52.037 -0.073 0.000 0.620 124 A CB -0.755 18.206 19.000 -0.066 0.000 0.819 124 A HN 0.375 nan 8.150 nan 0.000 0.442 125 I N -0.195 120.354 120.570 -0.034 0.000 2.252 125 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 125 I C 2.594 178.765 176.117 0.090 0.000 1.102 125 I CA 1.419 62.761 61.300 0.069 0.000 1.385 125 I CB -0.202 37.930 38.000 0.220 0.000 1.064 125 I HN 0.214 nan 8.210 nan 0.000 0.414 126 S N 0.316 116.044 115.700 0.046 0.000 2.383 126 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 126 S C 2.063 176.673 174.600 0.016 0.000 1.026 126 S CA 1.120 59.356 58.200 0.060 0.000 0.981 126 S CB -0.188 63.015 63.200 0.005 0.000 0.818 126 S HN 0.377 nan 8.310 nan 0.000 0.472 127 R N 0.234 120.727 120.500 -0.012 0.000 2.100 127 R HA 0.223 4.563 4.340 -0.000 0.000 0.220 127 R C 1.772 178.066 176.300 -0.011 0.000 1.091 127 R CA 0.763 56.855 56.100 -0.013 0.000 0.986 127 R CB -0.115 30.172 30.300 -0.022 0.000 0.888 127 R HN 0.313 nan 8.270 nan 0.000 0.444 128 L N -0.602 120.614 121.223 -0.011 0.000 2.470 128 L HA 0.126 4.466 4.340 -0.000 0.000 0.219 128 L C 1.688 178.548 176.870 -0.016 0.000 1.071 128 L CA 0.420 55.247 54.840 -0.022 0.000 0.850 128 L CB 0.244 42.280 42.059 -0.037 0.000 1.040 128 L HN 0.090 nan 8.230 nan 0.000 0.475 129 L N -1.609 119.621 121.223 0.011 0.000 2.515 129 L HA 0.093 4.432 4.340 -0.000 0.000 0.202 129 L C 2.165 179.052 176.870 0.029 0.000 1.056 129 L CA 0.144 54.999 54.840 0.025 0.000 0.847 129 L CB -0.167 41.923 42.059 0.052 0.000 1.131 129 L HN 0.086 nan 8.230 nan 0.000 0.484 130 L N 0.799 122.045 121.223 0.038 0.000 2.042 130 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 130 L C -0.352 176.522 176.870 0.007 0.000 1.076 130 L CA 1.534 56.388 54.840 0.023 0.000 0.749 130 L CB -1.772 40.307 42.059 0.033 0.000 0.893 130 L HN 0.241 nan 8.230 nan 0.000 0.432 131 P HA -0.110 nan 4.420 nan 0.000 0.226 131 P C 1.479 178.777 177.300 -0.002 0.000 1.153 131 P CA 0.949 64.048 63.100 -0.002 0.000 0.777 131 P CB -0.017 31.680 31.700 -0.005 0.000 0.794 132 V N -3.755 116.159 119.914 0.000 0.000 3.647 132 V HA 0.171 4.290 4.120 -0.000 0.000 0.279 132 V C 0.531 176.631 176.094 0.010 0.000 1.314 132 V CA -0.132 62.169 62.300 0.002 0.000 1.125 132 V CB -0.678 31.142 31.823 -0.004 0.000 0.907 132 V HN -0.067 nan 8.190 nan 0.000 0.434 133 V N -3.328 116.594 119.914 0.013 0.000 2.823 133 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 133 V C 0.122 176.225 176.094 0.015 0.000 1.072 133 V CA -0.370 61.943 62.300 0.022 0.000 0.937 133 V CB 2.082 33.928 31.823 0.037 0.000 1.013 133 V HN 0.121 nan 8.190 nan 0.000 0.430 134 D N 1.281 121.695 120.400 0.022 0.000 2.366 134 D HA 0.190 4.829 4.640 -0.000 0.000 0.205 134 D C 0.366 176.683 176.300 0.029 0.000 1.022 134 D CA 0.841 54.852 54.000 0.018 0.000 0.868 134 D CB 0.929 41.742 40.800 0.020 0.000 0.953 134 D HN 0.753 nan 8.370 nan 0.000 0.514 135 T N 0.404 114.988 114.554 0.050 0.000 2.921 135 T HA 0.455 4.805 4.350 -0.000 0.000 0.297 135 T C -0.532 174.231 174.700 0.104 0.000 1.013 135 T CA -0.536 61.612 62.100 0.081 0.000 0.990 135 T CB 2.950 71.874 68.868 0.094 0.000 1.023 135 T HN -0.348 nan 8.240 nan 0.000 0.447 136 V N 3.683 123.688 119.914 0.152 0.000 2.540 136 V HA 0.588 4.707 4.120 -0.000 0.000 0.302 136 V C -0.885 175.359 176.094 0.249 0.000 1.035 136 V CA -0.880 61.539 62.300 0.198 0.000 0.873 136 V CB 1.773 33.707 31.823 0.186 0.000 0.992 136 V HN 0.718 nan 8.190 nan 0.000 0.428 137 L N 4.273 125.616 121.223 0.201 0.000 2.294 137 L HA 0.665 5.005 4.340 -0.000 0.000 0.283 137 L C -0.678 176.292 176.870 0.167 0.000 1.015 137 L CA 0.050 54.992 54.840 0.169 0.000 0.831 137 L CB 1.208 43.400 42.059 0.221 0.000 1.217 137 L HN 0.722 nan 8.230 nan 0.000 0.420 138 D N 4.287 124.759 120.400 0.119 0.000 2.233 138 D HA 0.339 4.979 4.640 -0.000 0.000 0.240 138 D C -0.779 175.626 176.300 0.176 0.000 1.074 138 D CA -0.114 53.981 54.000 0.157 0.000 0.838 138 D CB 1.005 41.930 40.800 0.209 0.000 1.124 138 D HN 0.570 nan 8.370 nan 0.000 0.475 139 L N 4.735 126.070 121.223 0.186 0.000 2.328 139 L HA 0.243 4.583 4.340 -0.000 0.000 0.280 139 L C 0.408 177.396 176.870 0.196 0.000 1.111 139 L CA -0.503 54.480 54.840 0.238 0.000 0.909 139 L CB 0.204 42.278 42.059 0.025 0.000 1.277 139 L HN 0.411 nan 8.230 nan 0.000 0.433 140 H N 2.345 121.581 119.070 0.276 0.000 2.467 140 H HA 0.211 4.767 4.556 -0.000 0.000 0.331 140 H C -0.516 174.988 175.328 0.293 0.000 1.120 140 H CA -0.364 55.819 56.048 0.224 0.000 1.270 140 H CB 2.070 31.941 29.762 0.181 0.000 1.466 140 H HN 0.424 nan 8.280 nan 0.000 0.504 141 S N 4.741 120.195 115.700 -0.409 0.000 2.416 141 S HA 0.021 4.490 4.470 -0.000 0.000 0.287 141 S C 0.921 175.322 174.600 -0.331 0.000 1.139 141 S CA -0.607 57.458 58.200 -0.224 0.000 1.058 141 S CB -0.342 62.765 63.200 -0.154 0.000 0.967 141 S HN 0.557 nan 8.310 nan 0.000 0.495 142 F N 5.267 125.149 119.950 -0.114 0.000 2.146 142 F HA 0.313 4.839 4.527 -0.001 0.000 0.298 142 F C 1.212 176.935 175.800 -0.128 0.000 1.096 142 F CA 1.462 59.418 58.000 -0.073 0.000 1.275 142 F CB -0.059 38.925 39.000 -0.026 0.000 1.008 142 F HN 0.764 nan 8.300 nan 0.000 0.480 143 G N -0.605 108.243 108.800 0.080 0.000 2.238 143 G HA2 0.161 4.121 3.960 -0.000 0.000 0.276 143 G HA3 0.161 4.121 3.960 -0.000 0.000 0.276 143 G C -2.646 172.389 174.900 0.224 0.000 1.744 143 G CA -0.428 44.740 45.100 0.113 0.000 0.912 143 G HN -0.176 nan 8.290 nan 0.000 0.744 144 P HA 0.024 nan 4.420 nan 0.000 0.233 144 P C 1.702 179.084 177.300 0.137 0.000 1.167 144 P CA 1.549 64.709 63.100 0.099 0.000 0.770 144 P CB 0.148 31.842 31.700 -0.009 0.000 0.837 145 T N -6.437 108.196 114.554 0.131 0.000 3.129 145 T HA 0.072 4.421 4.350 -0.000 0.000 0.251 145 T C -0.032 174.665 174.700 -0.005 0.000 1.117 145 T CA -0.331 61.794 62.100 0.041 0.000 1.034 145 T CB -0.590 68.248 68.868 -0.050 0.000 0.968 145 T HN -0.049 nan 8.240 nan 0.000 0.526 146 W N 0.870 122.236 121.300 0.110 0.000 2.781 146 W HA 0.650 5.309 4.660 -0.000 0.000 0.345 146 W C -0.822 175.764 176.519 0.112 0.000 1.085 146 W CA -0.936 56.501 57.345 0.153 0.000 1.198 146 W CB 1.371 31.024 29.460 0.320 0.000 1.423 146 W HN -0.123 nan 8.180 nan 0.000 0.532 147 D N 1.420 122.027 120.400 0.344 0.000 2.278 147 D HA 0.586 5.225 4.640 -0.000 0.000 0.245 147 D C -0.995 175.325 176.300 0.034 0.000 1.052 147 D CA -0.211 53.883 54.000 0.157 0.000 0.834 147 D CB 0.945 41.801 40.800 0.094 0.000 1.194 147 D HN 0.463 nan 8.370 nan 0.000 0.481 148 C N 1.709 120.898 119.300 -0.185 0.000 3.171 148 C HA 0.961 5.420 4.460 -0.000 0.000 0.308 148 C C 0.216 174.883 174.990 -0.539 0.000 1.334 148 C CA -1.022 57.627 59.018 -0.616 0.000 1.473 148 C CB 0.523 27.553 27.740 -1.184 0.000 1.866 148 C HN 0.721 nan 8.230 nan 0.000 0.465 149 A N 1.908 124.266 122.820 -0.770 0.000 2.445 149 A HA 0.614 4.933 4.320 -0.000 0.000 0.242 149 A C -2.475 174.904 177.584 -0.341 0.000 1.075 149 A CA -0.604 51.168 52.037 -0.441 0.000 0.777 149 A CB -0.712 18.092 19.000 -0.326 0.000 1.013 149 A HN 0.788 nan 8.150 nan 0.000 0.493 150 P HA 0.244 nan 4.420 nan 0.000 0.271 150 P C -0.348 176.774 177.300 -0.298 0.000 1.233 150 P CA 0.355 63.161 63.100 -0.489 0.000 0.764 150 P CB 0.730 31.920 31.700 -0.849 0.000 0.825 151 S N 2.708 118.307 115.700 -0.168 0.000 2.661 151 S HA 0.654 5.124 4.470 -0.000 0.000 0.268 151 S C -1.195 173.388 174.600 -0.029 0.000 1.162 151 S CA -0.851 57.327 58.200 -0.036 0.000 0.817 151 S CB 0.755 64.060 63.200 0.176 0.000 1.141 151 S HN 0.163 nan 8.310 nan 0.000 0.477 152 I N 0.930 121.472 120.570 -0.046 0.000 2.465 152 I HA 0.477 4.647 4.170 -0.000 0.000 0.291 152 I C -1.074 175.025 176.117 -0.030 0.000 1.014 152 I CA -0.856 60.388 61.300 -0.093 0.000 1.093 152 I CB 1.719 39.578 38.000 -0.235 0.000 1.267 152 I HN 0.571 nan 8.210 nan 0.000 0.431 153 I N 4.998 125.575 120.570 0.012 0.000 2.321 153 I HA 0.265 4.434 4.170 -0.000 0.000 0.291 153 I C -0.177 175.967 176.117 0.045 0.000 0.998 153 I CA -0.135 61.199 61.300 0.057 0.000 1.227 153 I CB 1.403 39.510 38.000 0.179 0.000 1.368 153 I HN 0.470 nan 8.210 nan 0.000 0.466 154 S N 5.055 120.779 115.700 0.040 0.000 2.438 154 S HA 0.263 4.732 4.470 -0.000 0.000 0.316 154 S C -0.385 174.257 174.600 0.070 0.000 1.084 154 S CA -0.467 57.765 58.200 0.053 0.000 1.107 154 S CB 0.378 63.588 63.200 0.017 0.000 0.981 154 S HN 0.428 nan 8.310 nan 0.000 0.466 155 H N 4.643 123.711 119.070 -0.003 0.000 2.604 155 H HA 0.306 4.862 4.556 -0.000 0.000 0.306 155 H C -2.694 172.618 175.328 -0.026 0.000 1.075 155 H CA -1.957 53.995 56.048 -0.160 0.000 1.357 155 H CB 0.697 30.162 29.762 -0.496 0.000 1.426 155 H HN 0.276 nan 8.280 nan 0.000 0.470 156 P HA 0.053 nan 4.420 nan 0.000 0.265 156 P C -0.202 177.231 177.300 0.221 0.000 1.193 156 P CA 0.292 63.419 63.100 0.044 0.000 0.765 156 P CB 0.369 32.028 31.700 -0.069 0.000 0.823 157 I N -1.524 119.168 120.570 0.203 0.000 2.934 157 I HA 0.734 4.904 4.170 -0.000 0.000 0.306 157 I C 0.701 176.905 176.117 0.146 0.000 1.110 157 I CA -1.255 60.191 61.300 0.244 0.000 1.019 157 I CB 2.225 40.418 38.000 0.321 0.000 1.227 157 I HN 0.185 nan 8.210 nan 0.000 0.434 158 A N 1.860 124.758 122.820 0.129 0.000 2.014 158 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 158 A C 1.026 178.648 177.584 0.063 0.000 1.163 158 A CA 1.009 53.089 52.037 0.072 0.000 0.652 158 A CB -0.463 18.562 19.000 0.041 0.000 0.808 158 A HN 0.871 nan 8.150 nan 0.000 0.449 159 D N 0.301 120.751 120.400 0.082 0.000 2.344 159 D HA 0.228 4.867 4.640 -0.000 0.000 0.253 159 D C 0.891 177.223 176.300 0.053 0.000 1.255 159 D CA -0.081 53.956 54.000 0.061 0.000 0.894 159 D CB 0.421 41.261 40.800 0.068 0.000 1.067 159 D HN 0.355 nan 8.370 nan 0.000 0.492 160 I N 3.005 123.598 120.570 0.039 0.000 2.179 160 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 160 I C 1.786 177.921 176.117 0.030 0.000 1.088 160 I CA 0.817 62.137 61.300 0.033 0.000 1.357 160 I CB -0.022 37.993 38.000 0.024 0.000 1.051 160 I HN 0.321 nan 8.210 nan 0.000 0.409 161 D N 0.490 120.905 120.400 0.026 0.000 2.117 161 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 161 D C 1.444 177.759 176.300 0.024 0.000 0.987 161 D CA 0.791 54.805 54.000 0.023 0.000 0.829 161 D CB -0.282 40.530 40.800 0.019 0.000 0.961 161 D HN 0.381 nan 8.370 nan 0.000 0.460 165 K N 1.267 121.684 120.400 0.028 0.000 2.002 165 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 165 K C 2.020 178.641 176.600 0.036 0.000 1.048 165 K CA 2.109 58.414 56.287 0.031 0.000 0.930 165 K CB -0.268 32.249 32.500 0.027 0.000 0.714 165 K HN 0.248 nan 8.250 nan 0.000 0.438 166 T N 0.698 115.270 114.554 0.030 0.000 2.746 166 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 166 T C 1.849 176.563 174.700 0.023 0.000 1.039 166 T CA 1.366 63.482 62.100 0.026 0.000 1.142 166 T CB -0.094 68.782 68.868 0.014 0.000 0.866 166 T HN 0.011 nan 8.240 nan 0.000 0.444 167 V N 1.371 121.299 119.914 0.023 0.000 2.358 167 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 167 V C 2.690 178.801 176.094 0.029 0.000 1.047 167 V CA 1.703 64.013 62.300 0.017 0.000 1.035 167 V CB -0.721 31.112 31.823 0.017 0.000 0.658 167 V HN 0.429 nan 8.190 nan 0.000 0.452 168 S N -0.020 115.703 115.700 0.038 0.000 2.356 168 S HA -0.120 4.350 4.470 -0.000 0.000 0.223 168 S C 1.893 176.541 174.600 0.080 0.000 1.032 168 S CA 1.671 59.900 58.200 0.049 0.000 1.005 168 S CB -0.332 62.894 63.200 0.042 0.000 0.867 168 S HN 0.501 nan 8.310 nan 0.000 0.449 169 I N 1.407 122.034 120.570 0.095 0.000 2.163 169 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 169 I C 2.460 178.735 176.117 0.263 0.000 1.085 169 I CA 1.012 62.410 61.300 0.163 0.000 1.347 169 I CB -0.501 37.595 38.000 0.160 0.000 1.044 169 I HN 0.219 nan 8.210 nan 0.000 0.408 170 S N 0.614 116.384 115.700 0.117 0.000 2.359 170 S HA -0.202 4.267 4.470 -0.000 0.000 0.224 170 S C 1.946 176.590 174.600 0.074 0.000 1.035 170 S CA 1.381 59.564 58.200 -0.028 0.000 1.018 170 S CB -0.227 62.903 63.200 -0.117 0.000 0.876 170 S HN 0.379 nan 8.310 nan 0.000 0.448 171 K N 1.369 121.817 120.400 0.079 0.000 2.147 171 K HA 0.024 4.344 4.320 -0.000 0.000 0.205 171 K C 2.198 178.874 176.600 0.126 0.000 1.049 171 K CA 1.069 57.402 56.287 0.077 0.000 0.936 171 K CB -0.291 32.237 32.500 0.046 0.000 0.722 171 K HN 0.342 nan 8.250 nan 0.000 0.446 172 A N 0.462 123.381 122.820 0.166 0.000 2.178 172 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 172 A C 1.541 179.222 177.584 0.162 0.000 1.157 172 A CA 0.968 53.089 52.037 0.139 0.000 0.689 172 A CB -0.588 18.474 19.000 0.104 0.000 0.787 172 A HN 0.175 nan 8.150 nan 0.000 0.465 173 F N -0.281 119.674 119.950 0.008 0.000 2.407 173 F HA 0.025 4.552 4.527 -0.001 0.000 0.299 173 F C 1.174 176.965 175.800 -0.014 0.000 1.097 173 F CA 1.088 59.091 58.000 0.005 0.000 1.422 173 F CB -0.224 38.779 39.000 0.005 0.000 1.067 173 F HN 0.242 nan 8.300 nan 0.000 0.539 174 K N 0.252 120.744 120.400 0.154 0.000 3.071 174 K HA -0.226 4.094 4.320 -0.000 0.000 0.265 174 K C -0.147 176.472 176.600 0.032 0.000 1.060 174 K CA 0.051 56.377 56.287 0.065 0.000 0.767 174 K CB -2.353 30.166 32.500 0.032 0.000 1.241 174 K HN 0.284 nan 8.250 nan 0.000 0.486 175 L N -0.118 121.126 121.223 0.035 0.000 2.464 175 L HA 0.066 4.406 4.340 -0.000 0.000 0.264 175 L C -0.705 176.130 176.870 -0.059 0.000 1.199 175 L CA -1.720 53.092 54.840 -0.047 0.000 0.818 175 L CB 0.179 42.191 42.059 -0.078 0.000 1.102 175 L HN -0.135 nan 8.230 nan 0.000 0.473 176 P HA -0.150 nan 4.420 nan 0.000 0.216 176 P C -0.403 176.875 177.300 -0.037 0.000 1.154 176 P CA 1.110 64.166 63.100 -0.073 0.000 0.865 176 P CB 0.166 31.801 31.700 -0.108 0.000 0.789 177 V N -1.908 117.992 119.914 -0.023 0.000 2.686 177 V HA 0.278 4.398 4.120 -0.000 0.000 0.306 177 V C -0.287 175.809 176.094 0.003 0.000 1.065 177 V CA -0.546 61.764 62.300 0.016 0.000 0.894 177 V CB 2.252 34.144 31.823 0.115 0.000 1.004 177 V HN -0.227 nan 8.190 nan 0.000 0.424 178 T N 5.660 120.202 114.554 -0.020 0.000 2.758 178 T HA 0.586 4.936 4.350 -0.000 0.000 0.285 178 T C -0.704 173.954 174.700 -0.071 0.000 0.981 178 T CA -0.205 61.871 62.100 -0.040 0.000 0.965 178 T CB 1.138 69.985 68.868 -0.035 0.000 0.927 178 T HN 0.394 nan 8.240 nan 0.000 0.448 179 L N 4.861 126.018 121.223 -0.110 0.000 2.287 179 L HA 0.609 4.949 4.340 -0.000 0.000 0.287 179 L C -0.839 175.975 176.870 -0.093 0.000 1.022 179 L CA -0.927 53.794 54.840 -0.198 0.000 0.814 179 L CB 1.076 42.826 42.059 -0.515 0.000 1.217 179 L HN 0.550 nan 8.230 nan 0.000 0.420 180 L N 6.160 127.337 121.223 -0.076 0.000 2.313 180 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 180 L C -1.580 175.315 176.870 0.040 0.000 1.092 180 L CA 0.413 55.238 54.840 -0.025 0.000 0.831 180 L CB 0.547 42.582 42.059 -0.039 0.000 1.159 180 L HN 0.755 nan 8.230 nan 0.000 0.442 181 W N 5.887 127.066 121.300 -0.202 0.000 3.423 181 W HA 0.261 4.921 4.660 -0.000 0.000 0.330 181 W C -0.965 175.304 176.519 -0.417 0.000 1.102 181 W CA -1.099 56.117 57.345 -0.214 0.000 1.261 181 W CB 1.050 30.436 29.460 -0.122 0.000 1.283 181 W HN 0.646 nan 8.180 nan 0.000 0.447 182 E N 3.732 123.789 120.200 -0.238 0.000 2.028 182 E HA 0.028 4.377 4.350 -0.000 0.000 0.275 182 E C 0.946 177.203 176.600 -0.572 0.000 1.171 182 E CA 0.027 55.967 56.400 -0.768 0.000 1.186 182 E CB -0.024 29.439 29.700 -0.396 0.000 1.256 182 E HN 0.573 nan 8.360 nan 0.000 0.474 183 H N 1.778 120.386 119.070 -0.769 0.000 2.529 183 H HA 0.150 4.705 4.556 -0.000 0.000 0.277 183 H C 0.468 175.625 175.328 -0.286 0.000 0.999 183 H CA 0.953 56.556 56.048 -0.741 0.000 1.256 183 H CB -0.264 28.644 29.762 -1.424 0.000 1.402 183 H HN 0.452 nan 8.280 nan 0.000 0.566 184 N N -0.522 118.128 118.700 -0.083 0.000 2.714 184 N HA -0.234 4.505 4.740 -0.000 0.000 0.250 184 N C -0.259 175.209 175.510 -0.072 0.000 1.117 184 N CA 0.718 53.746 53.050 -0.037 0.000 0.719 184 N CB -1.165 37.315 38.487 -0.013 0.000 1.081 184 N HN 0.884 nan 8.380 nan 0.000 0.557 185 E N 0.402 120.629 120.200 0.046 0.000 2.427 185 E HA 0.312 4.662 4.350 -0.000 0.000 0.259 185 E C 0.919 177.472 176.600 -0.078 0.000 1.267 185 E CA 0.138 56.540 56.400 0.003 0.000 1.425 185 E CB -0.345 29.312 29.700 -0.072 0.000 1.482 185 E HN 0.449 nan 8.360 nan 0.000 0.460 186 T N -3.351 111.085 114.554 -0.195 0.000 3.044 186 T HA 0.143 4.493 4.350 -0.000 0.000 0.260 186 T C 0.145 174.847 174.700 0.004 0.000 1.019 186 T CA -0.234 61.718 62.100 -0.245 0.000 0.921 186 T CB -0.000 68.499 68.868 -0.614 0.000 1.053 186 T HN 0.257 nan 8.240 nan 0.000 0.533 187 D N 2.203 122.608 120.400 0.007 0.000 2.443 187 D HA 0.482 5.121 4.640 -0.000 0.000 0.239 187 D C 1.169 177.511 176.300 0.070 0.000 1.136 187 D CA 1.728 55.755 54.000 0.045 0.000 0.879 187 D CB 0.466 41.286 40.800 0.033 0.000 1.195 187 D HN 0.670 nan 8.370 nan 0.000 0.443 191 D N 0.604 121.083 120.400 0.132 0.000 2.149 191 D HA -0.111 4.528 4.640 -0.000 0.000 0.198 191 D C 1.927 178.201 176.300 -0.045 0.000 0.990 191 D CA 2.289 56.352 54.000 0.105 0.000 0.839 191 D CB -0.434 40.469 40.800 0.171 0.000 0.948 191 D HN 0.385 nan 8.370 nan 0.000 0.460 192 T N 0.597 115.092 114.554 -0.098 0.000 2.674 192 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 192 T C 1.845 176.426 174.700 -0.197 0.000 1.039 192 T CA 0.649 62.686 62.100 -0.104 0.000 1.150 192 T CB -0.132 68.705 68.868 -0.052 0.000 0.864 192 T HN -0.003 nan 8.240 nan 0.000 0.427 193 L N 0.501 121.501 121.223 -0.373 0.000 2.068 193 L HA 0.060 4.399 4.340 -0.000 0.000 0.204 193 L C 2.562 179.216 176.870 -0.360 0.000 1.076 193 L CA 1.133 55.734 54.840 -0.398 0.000 0.753 193 L CB -1.152 40.527 42.059 -0.633 0.000 0.910 193 L HN 0.128 nan 8.230 nan 0.000 0.439 194 V N -1.060 118.529 119.914 -0.541 0.000 2.256 194 V HA -0.221 3.899 4.120 -0.000 0.000 0.240 194 V C 2.573 178.459 176.094 -0.346 0.000 1.036 194 V CA 1.499 63.454 62.300 -0.576 0.000 1.008 194 V CB -0.657 30.453 31.823 -1.187 0.000 0.648 194 V HN 0.423 nan 8.190 nan 0.000 0.453 195 H N -0.012 118.958 119.070 -0.167 0.000 2.317 195 H HA -0.000 4.556 4.556 -0.000 0.000 0.304 195 H C 2.395 177.688 175.328 -0.058 0.000 1.067 195 H CA 1.912 57.918 56.048 -0.069 0.000 1.352 195 H CB -0.170 29.585 29.762 -0.012 0.000 1.398 195 H HN 0.217 nan 8.280 nan 0.000 0.510 196 R N 1.192 121.724 120.500 0.054 0.000 2.073 196 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 196 R C 1.895 178.188 176.300 -0.012 0.000 1.120 196 R CA 1.488 57.599 56.100 0.019 0.000 0.967 196 R CB 0.032 30.337 30.300 0.008 0.000 0.862 196 R HN 0.321 nan 8.270 nan 0.000 0.436 197 Q N -1.356 118.415 119.800 -0.049 0.000 2.352 197 Q HA 0.230 4.570 4.340 -0.000 0.000 0.212 197 Q C 0.357 176.327 176.000 -0.051 0.000 0.888 197 Q CA 0.416 56.188 55.803 -0.051 0.000 0.934 197 Q CB 0.991 29.687 28.738 -0.070 0.000 1.093 197 Q HN 0.564 nan 8.270 nan 0.000 0.523 198 G N 2.317 111.081 108.800 -0.061 0.000 2.273 198 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.280 198 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.280 198 G C -0.218 174.650 174.900 -0.052 0.000 1.047 198 G CA 0.507 45.578 45.100 -0.047 0.000 0.869 198 G HN 0.158 nan 8.290 nan 0.000 0.502 199 K N -0.580 119.770 120.400 -0.082 0.000 2.168 199 K HA 0.588 4.908 4.320 -0.000 0.000 0.239 199 K C 0.224 176.796 176.600 -0.048 0.000 0.999 199 K CA -0.587 55.666 56.287 -0.058 0.000 0.900 199 K CB 0.975 33.436 32.500 -0.065 0.000 1.111 199 K HN 0.048 nan 8.250 nan 0.000 0.452 200 T N 1.966 116.521 114.554 0.002 0.000 2.723 200 T HA 0.212 4.562 4.350 -0.000 0.000 0.297 200 T C -1.062 173.699 174.700 0.103 0.000 0.925 200 T CA -0.066 62.055 62.100 0.035 0.000 1.030 200 T CB -0.252 68.647 68.868 0.051 0.000 0.905 200 T HN 0.235 nan 8.240 nan 0.000 0.502 201 F N 5.369 125.237 119.950 -0.136 0.000 2.427 201 F HA 0.634 5.161 4.527 -0.000 0.000 0.348 201 F C -1.019 174.731 175.800 -0.083 0.000 1.125 201 F CA -2.031 55.885 58.000 -0.141 0.000 0.989 201 F CB 0.531 39.367 39.000 -0.273 0.000 1.165 201 F HN 0.407 nan 8.300 nan 0.000 0.442 202 I N 6.004 126.381 120.570 -0.322 0.000 2.406 202 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 202 I C -1.100 174.714 176.117 -0.505 0.000 0.999 202 I CA -0.542 60.532 61.300 -0.376 0.000 1.124 202 I CB 1.665 39.548 38.000 -0.196 0.000 1.289 202 I HN 0.512 nan 8.210 nan 0.000 0.441 203 C N 4.171 123.185 119.300 -0.477 0.000 2.293 203 C HA 0.458 4.918 4.460 -0.000 0.000 0.323 203 C C 0.628 175.545 174.990 -0.122 0.000 1.240 203 C CA -0.605 58.222 59.018 -0.318 0.000 1.497 203 C CB 0.745 28.250 27.740 -0.391 0.000 2.171 203 C HN 0.776 nan 8.230 nan 0.000 0.465 204 T N 0.814 115.375 114.554 0.012 0.000 2.845 204 T HA 0.489 4.839 4.350 -0.000 0.000 0.288 204 T C -0.485 174.325 174.700 0.183 0.000 0.980 204 T CA -0.374 61.766 62.100 0.065 0.000 1.071 204 T CB 1.143 70.099 68.868 0.146 0.000 0.941 204 T HN 0.566 nan 8.240 nan 0.000 0.487 205 E N 2.233 122.499 120.200 0.111 0.000 2.156 205 E HA 0.399 4.748 4.350 -0.000 0.000 0.279 205 E C -1.218 175.376 176.600 -0.010 0.000 0.965 205 E CA -0.467 56.047 56.400 0.190 0.000 0.789 205 E CB 1.232 31.049 29.700 0.196 0.000 1.098 205 E HN 0.647 nan 8.360 nan 0.000 0.397 206 F N 0.781 120.805 119.950 0.123 0.000 2.449 206 F HA 0.474 5.001 4.527 -0.001 0.000 0.342 206 F C 0.973 176.826 175.800 0.088 0.000 1.127 206 F CA -0.673 57.334 58.000 0.012 0.000 0.975 206 F CB 1.949 40.854 39.000 -0.159 0.000 1.146 206 F HN 0.380 nan 8.300 nan 0.000 0.444 207 G N 0.692 109.626 108.800 0.223 0.000 2.491 207 G HA2 0.451 4.411 3.960 -0.000 0.000 0.327 207 G HA3 0.451 4.411 3.960 -0.000 0.000 0.327 207 G C 0.779 175.804 174.900 0.208 0.000 1.189 207 G CA -0.553 44.685 45.100 0.231 0.000 0.956 207 G HN 0.823 nan 8.290 nan 0.000 0.491 208 G N -1.030 107.897 108.800 0.211 0.000 2.920 208 G HA2 0.386 4.346 3.960 -0.000 0.000 0.208 208 G HA3 0.386 4.346 3.960 -0.000 0.000 0.208 208 G C 0.820 175.811 174.900 0.151 0.000 1.159 208 G CA 0.700 45.904 45.100 0.173 0.000 0.784 208 G HN 0.868 nan 8.290 nan 0.000 0.535 217 T N -1.991 112.619 114.554 0.093 0.000 2.985 217 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 217 T C 1.853 176.559 174.700 0.010 0.000 1.076 217 T CA 1.215 63.335 62.100 0.032 0.000 1.135 217 T CB -0.287 68.582 68.868 0.003 0.000 0.890 217 T HN 0.150 nan 8.240 nan 0.000 0.480 218 I N 0.725 121.286 120.570 -0.015 0.000 2.163 218 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 218 I C 2.351 178.396 176.117 -0.120 0.000 1.085 218 I CA 1.432 62.662 61.300 -0.116 0.000 1.347 218 I CB -1.394 36.462 38.000 -0.240 0.000 1.044 218 I HN 0.237 nan 8.210 nan 0.000 0.408 219 Y N 1.290 121.577 120.300 -0.020 0.000 2.181 219 Y HA -0.201 4.349 4.550 -0.001 0.000 0.288 219 Y C 2.692 178.612 175.900 0.033 0.000 1.146 219 Y CA 1.420 59.524 58.100 0.006 0.000 1.164 219 Y CB -0.573 37.923 38.460 0.060 0.000 0.982 219 Y HN 0.251 nan 8.280 nan 0.000 0.515 220 E N -0.242 120.054 120.200 0.160 0.000 2.049 220 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 220 E C 2.412 178.967 176.600 -0.076 0.000 1.007 220 E CA 1.170 57.569 56.400 -0.002 0.000 0.809 220 E CB -0.299 29.357 29.700 -0.073 0.000 0.749 220 E HN 0.467 nan 8.360 nan 0.000 0.450 221 A N 0.807 123.592 122.820 -0.058 0.000 1.930 221 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 221 A C 2.366 179.922 177.584 -0.045 0.000 1.175 221 A CA 1.687 53.680 52.037 -0.072 0.000 0.627 221 A CB -1.031 17.936 19.000 -0.056 0.000 0.815 221 A HN 0.387 nan 8.150 nan 0.000 0.443 222 G N -0.431 108.371 108.800 0.004 0.000 2.459 222 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.217 222 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.217 222 G C 1.504 176.442 174.900 0.062 0.000 1.183 222 G CA 1.331 46.479 45.100 0.081 0.000 0.776 222 G HN 0.323 nan 8.290 nan 0.000 0.552 223 V N 0.750 120.726 119.914 0.103 0.000 2.515 223 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 223 V C 2.759 178.773 176.094 -0.133 0.000 1.058 223 V CA 2.009 64.329 62.300 0.034 0.000 1.064 223 V CB -0.451 31.479 31.823 0.179 0.000 0.675 223 V HN 0.420 nan 8.190 nan 0.000 0.461 224 R N 0.538 120.968 120.500 -0.116 0.000 2.073 224 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 224 R C 2.218 178.472 176.300 -0.076 0.000 1.134 224 R CA 1.916 57.978 56.100 -0.063 0.000 0.952 224 R CB -0.268 29.951 30.300 -0.134 0.000 0.850 224 R HN 0.522 nan 8.270 nan 0.000 0.433 225 N N 0.060 118.676 118.700 -0.139 0.000 2.104 225 N HA -0.127 4.612 4.740 -0.000 0.000 0.190 225 N C 1.725 177.045 175.510 -0.316 0.000 1.024 225 N CA 1.555 54.513 53.050 -0.153 0.000 0.853 225 N CB -0.724 37.705 38.487 -0.097 0.000 1.008 225 N HN 0.428 nan 8.380 nan 0.000 0.424 226 G N 1.439 109.787 108.800 -0.754 0.000 2.421 226 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 226 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 226 G C 1.695 176.299 174.900 -0.494 0.000 1.171 226 G CA 0.408 44.732 45.100 -1.294 0.000 0.775 226 G HN 0.237 nan 8.290 nan 0.000 0.543 227 L N 0.028 121.086 121.223 -0.276 0.000 2.083 227 L HA -0.015 4.324 4.340 -0.000 0.000 0.209 227 L C 2.850 179.706 176.870 -0.023 0.000 1.083 227 L CA 0.592 55.401 54.840 -0.051 0.000 0.752 227 L CB -0.346 41.766 42.059 0.089 0.000 0.899 227 L HN 0.206 nan 8.230 nan 0.000 0.433 228 I N 0.005 120.557 120.570 -0.029 0.000 2.142 228 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 228 I C 2.792 178.896 176.117 -0.022 0.000 1.078 228 I CA 1.273 62.567 61.300 -0.010 0.000 1.343 228 I CB -0.480 37.519 38.000 -0.001 0.000 1.046 228 I HN 0.193 nan 8.210 nan 0.000 0.405 229 A N 0.544 123.334 122.820 -0.050 0.000 2.024 229 A HA -0.144 4.175 4.320 -0.000 0.000 0.220 229 A C 2.170 179.756 177.584 0.003 0.000 1.164 229 A CA 1.427 53.453 52.037 -0.020 0.000 0.643 229 A CB -0.781 18.208 19.000 -0.018 0.000 0.806 229 A HN 0.456 nan 8.150 nan 0.000 0.451 230 L N -1.324 119.897 121.223 -0.003 0.000 2.591 230 L HA 0.190 4.529 4.340 -0.000 0.000 0.228 230 L C 1.638 178.519 176.870 0.019 0.000 1.133 230 L CA 0.488 55.342 54.840 0.023 0.000 0.880 230 L CB -0.168 41.914 42.059 0.037 0.000 1.033 230 L HN 0.559 nan 8.230 nan 0.000 0.450 231 G N 0.105 108.911 108.800 0.010 0.000 2.160 231 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.251 231 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.251 231 G C 0.683 175.587 174.900 0.006 0.000 1.008 231 G CA 0.446 45.550 45.100 0.008 0.000 0.724 231 G HN 0.359 nan 8.290 nan 0.000 0.514 232 L N -1.221 120.007 121.223 0.008 0.000 2.408 232 L HA 0.359 4.698 4.340 -0.000 0.000 0.215 232 L C 0.803 177.661 176.870 -0.020 0.000 1.081 232 L CA 0.433 55.275 54.840 0.004 0.000 0.840 232 L CB 0.536 42.609 42.059 0.024 0.000 1.002 232 L HN 0.154 nan 8.230 nan 0.000 0.468 233 V N 0.036 119.943 119.914 -0.012 0.000 2.656 233 V HA 0.526 4.646 4.120 -0.000 0.000 0.307 233 V C 0.145 176.237 176.094 -0.003 0.000 1.051 233 V CA -0.908 61.371 62.300 -0.034 0.000 0.893 233 V CB 1.567 33.395 31.823 0.008 0.000 0.999 233 V HN 0.070 nan 8.190 nan 0.000 0.426 234 K N 1.486 121.877 120.400 -0.015 0.000 2.143 234 K HA 0.934 5.254 4.320 -0.000 0.000 0.272 234 K C 0.318 176.933 176.600 0.026 0.000 1.001 234 K CA 0.196 56.484 56.287 0.002 0.000 0.915 234 K CB 1.413 33.908 32.500 -0.009 0.000 1.047 234 K HN 1.778 nan 8.250 nan 0.000 0.458 235 G N 0.601 109.419 108.800 0.029 0.000 2.336 235 G HA2 0.427 4.387 3.960 -0.000 0.000 0.286 235 G HA3 0.427 4.387 3.960 -0.000 0.000 0.286 235 G C -1.796 173.121 174.900 0.029 0.000 1.269 235 G CA -0.729 44.395 45.100 0.040 0.000 0.873 235 G HN 0.457 nan 8.290 nan 0.000 0.494 236 K N 0.565 120.983 120.400 0.029 0.000 2.535 236 K HA 0.717 5.037 4.320 -0.000 0.000 0.253 236 K C 0.346 176.955 176.600 0.016 0.000 0.953 236 K CA -0.199 56.099 56.287 0.019 0.000 0.863 236 K CB 1.650 34.160 32.500 0.016 0.000 1.111 236 K HN 0.922 nan 8.250 nan 0.000 0.431 249 Q N 0.669 120.461 119.800 -0.013 0.000 2.365 249 Q HA 0.659 4.999 4.340 -0.000 0.000 0.269 249 Q C -0.790 175.200 176.000 -0.017 0.000 1.061 249 Q CA -0.819 54.976 55.803 -0.013 0.000 0.816 249 Q CB 2.811 31.541 28.738 -0.013 0.000 1.325 249 Q HN 0.421 nan 8.270 nan 0.000 0.446 250 T N 3.215 117.757 114.554 -0.021 0.000 2.756 250 T HA 0.539 4.889 4.350 -0.000 0.000 0.290 250 T C -0.356 174.319 174.700 -0.042 0.000 0.985 250 T CA -0.385 61.697 62.100 -0.029 0.000 0.955 250 T CB 0.235 69.090 68.868 -0.022 0.000 0.930 250 T HN 0.285 nan 8.240 nan 0.000 0.451 251 L N 2.881 124.065 121.223 -0.064 0.000 2.301 251 L HA 0.726 5.066 4.340 -0.000 0.000 0.264 251 L C 0.038 176.836 176.870 -0.119 0.000 1.016 251 L CA -1.170 53.618 54.840 -0.087 0.000 0.821 251 L CB 2.141 44.144 42.059 -0.094 0.000 1.346 251 L HN 0.658 nan 8.230 nan 0.000 0.429 252 E N -0.351 119.772 120.200 -0.128 0.000 2.343 252 E HA 0.609 4.959 4.350 -0.000 0.000 0.270 252 E C -1.569 174.911 176.600 -0.199 0.000 0.895 252 E CA -0.735 55.580 56.400 -0.141 0.000 0.767 252 E CB 2.420 32.069 29.700 -0.086 0.000 1.248 252 E HN 0.335 nan 8.360 nan 0.000 0.440 253 T N 1.896 116.292 114.554 -0.264 0.000 2.812 253 T HA 0.466 4.816 4.350 -0.000 0.000 0.282 253 T C -0.578 173.971 174.700 -0.251 0.000 0.990 253 T CA -0.520 61.340 62.100 -0.400 0.000 0.960 253 T CB 1.438 69.768 68.868 -0.897 0.000 0.948 253 T HN 0.649 nan 8.240 nan 0.000 0.438 254 T N -0.072 114.387 114.554 -0.158 0.000 2.927 254 T HA 0.476 4.826 4.350 -0.000 0.000 0.286 254 T C 1.518 176.199 174.700 -0.032 0.000 1.040 254 T CA -0.724 61.347 62.100 -0.048 0.000 1.010 254 T CB 1.387 70.235 68.868 -0.033 0.000 1.177 254 T HN 0.205 nan 8.240 nan 0.000 0.546 255 S N 0.878 116.592 115.700 0.025 0.000 2.387 255 S HA -0.157 4.312 4.470 -0.000 0.000 0.230 255 S C 2.251 176.858 174.600 0.012 0.000 1.035 255 S CA 1.864 60.088 58.200 0.040 0.000 1.014 255 S CB -0.807 62.422 63.200 0.049 0.000 0.836 255 S HN 0.948 nan 8.310 nan 0.000 0.466 256 S N 1.244 116.941 115.700 -0.005 0.000 2.474 256 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 256 S C 0.967 175.553 174.600 -0.022 0.000 0.997 256 S CA 0.866 59.061 58.200 -0.009 0.000 0.949 256 S CB -0.219 62.975 63.200 -0.011 0.000 0.766 256 S HN 0.401 nan 8.310 nan 0.000 0.517 257 D N 1.327 121.697 120.400 -0.051 0.000 2.350 257 D HA 0.073 4.713 4.640 -0.000 0.000 0.213 257 D C 0.144 176.399 176.300 -0.075 0.000 1.031 257 D CA 0.352 54.305 54.000 -0.077 0.000 0.861 257 D CB 0.030 40.743 40.800 -0.144 0.000 0.926 257 D HN 0.601 nan 8.370 nan 0.000 0.520 258 Q N 1.103 120.877 119.800 -0.044 0.000 2.456 258 Q HA 0.344 4.684 4.340 -0.000 0.000 0.234 258 Q C -0.312 175.710 176.000 0.037 0.000 1.061 258 Q CA -0.158 55.647 55.803 0.004 0.000 0.896 258 Q CB 1.369 30.144 28.738 0.062 0.000 1.233 258 Q HN 0.085 nan 8.270 nan 0.000 0.506 259 L N 2.674 123.923 121.223 0.043 0.000 2.331 259 L HA 0.390 4.730 4.340 -0.000 0.000 0.278 259 L C 0.110 176.986 176.870 0.010 0.000 1.106 259 L CA -0.152 54.706 54.840 0.029 0.000 0.824 259 L CB 0.524 42.604 42.059 0.035 0.000 1.142 259 L HN 0.359 nan 8.230 nan 0.000 0.443 260 K N 1.215 121.612 120.400 -0.005 0.000 2.328 260 K HA 0.430 4.750 4.320 -0.000 0.000 0.246 260 K C -0.494 176.077 176.600 -0.049 0.000 0.955 260 K CA -0.720 55.547 56.287 -0.032 0.000 0.817 260 K CB 2.171 34.669 32.500 -0.004 0.000 1.208 260 K HN 0.655 nan 8.250 nan 0.000 0.432 261 S N 1.034 116.684 115.700 -0.082 0.000 2.548 261 S HA 0.168 4.638 4.470 -0.000 0.000 0.277 261 S C -1.668 172.913 174.600 -0.031 0.000 1.315 261 S CA -0.946 57.221 58.200 -0.056 0.000 1.050 261 S CB 0.796 63.944 63.200 -0.088 0.000 0.918 261 S HN 0.475 nan 8.310 nan 0.000 0.497 262 P HA 0.089 nan 4.420 nan 0.000 0.240 262 P C 0.068 177.364 177.300 -0.007 0.000 1.190 262 P CA 0.258 63.355 63.100 -0.006 0.000 0.781 262 P CB 0.008 31.709 31.700 0.002 0.000 0.931 263 S N -1.721 113.972 115.700 -0.011 0.000 2.615 263 S HA 0.576 5.046 4.470 -0.000 0.000 0.269 263 S C -3.327 171.259 174.600 -0.022 0.000 1.161 263 S CA -1.734 56.463 58.200 -0.006 0.000 0.817 263 S CB 1.354 64.561 63.200 0.012 0.000 1.131 263 S HN -0.173 nan 8.310 nan 0.000 0.467 264 P HA 0.624 nan 4.420 nan 0.000 0.274 264 P C 0.249 177.573 177.300 0.040 0.000 1.231 264 P CA 0.228 63.299 63.100 -0.048 0.000 0.790 264 P CB 0.939 32.667 31.700 0.048 0.000 0.951 265 G N 0.939 109.747 108.800 0.012 0.000 2.323 265 G HA2 0.307 4.267 3.960 -0.000 0.000 0.291 265 G HA3 0.307 4.267 3.960 -0.000 0.000 0.291 265 G C -1.656 173.364 174.900 0.200 0.000 1.278 265 G CA -0.796 44.408 45.100 0.174 0.000 0.860 265 G HN 0.397 nan 8.290 nan 0.000 0.504 266 I N 1.234 121.950 120.570 0.243 0.000 2.312 266 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 266 I C -0.349 175.903 176.117 0.225 0.000 1.031 266 I CA -0.413 61.034 61.300 0.245 0.000 1.293 266 I CB 1.052 39.188 38.000 0.226 0.000 1.403 266 I HN 0.392 nan 8.210 nan 0.000 0.484 267 F N 7.276 127.242 119.950 0.026 0.000 2.427 267 F HA 0.277 4.804 4.527 -0.000 0.000 0.352 267 F C 0.343 176.157 175.800 0.023 0.000 1.100 267 F CA -0.301 57.684 58.000 -0.025 0.000 1.191 267 F CB 0.631 39.574 39.000 -0.096 0.000 1.128 267 F HN 0.461 nan 8.300 nan 0.000 0.533 268 E N 8.754 128.471 120.200 -0.805 0.000 2.185 268 E HA 0.376 4.725 4.350 -0.000 0.000 0.261 268 E C -2.799 173.193 176.600 -1.013 0.000 0.879 268 E CA -2.815 53.223 56.400 -0.603 0.000 0.756 268 E CB 1.484 31.092 29.700 -0.155 0.000 1.152 268 E HN 0.289 nan 8.360 nan 0.000 0.416 269 P HA 0.080 nan 4.420 nan 0.000 0.271 269 P C -0.358 176.806 177.300 -0.227 0.000 1.218 269 P CA -0.256 62.585 63.100 -0.432 0.000 0.780 269 P CB 0.819 32.465 31.700 -0.089 0.000 0.901 270 R N 0.931 121.351 120.500 -0.133 0.000 2.629 270 R HA 0.279 4.618 4.340 -0.000 0.000 0.386 270 R C -0.077 176.209 176.300 -0.023 0.000 1.071 270 R CA -0.021 56.035 56.100 -0.073 0.000 1.104 270 R CB -0.462 29.792 30.300 -0.077 0.000 1.370 270 R HN 0.695 nan 8.270 nan 0.000 0.574 271 C N -3.041 116.258 119.300 -0.002 0.000 3.312 271 C HA 0.733 5.192 4.460 -0.000 0.000 0.332 271 C C -0.302 174.702 174.990 0.023 0.000 1.340 271 C CA -0.894 58.133 59.018 0.014 0.000 1.265 271 C CB 2.021 29.776 27.740 0.026 0.000 1.563 271 C HN 0.108 nan 8.230 nan 0.000 0.471 272 S N 0.305 116.015 115.700 0.016 0.000 2.664 272 S HA 0.761 5.231 4.470 -0.000 0.000 0.304 272 S C 0.243 174.846 174.600 0.005 0.000 1.099 272 S CA -0.466 57.742 58.200 0.013 0.000 1.003 272 S CB 1.615 64.816 63.200 0.002 0.000 1.092 272 S HN 0.878 nan 8.310 nan 0.000 0.525 276 E N 0.833 121.033 120.200 -0.001 0.000 2.115 276 E HA 0.477 4.827 4.350 -0.000 0.000 0.282 276 E C -0.020 176.580 176.600 0.000 0.000 0.987 276 E CA -0.852 55.547 56.400 -0.001 0.000 0.797 276 E CB 1.838 31.536 29.700 -0.004 0.000 1.086 276 E HN 0.272 nan 8.360 nan 0.000 0.397 277 V N 0.432 120.347 119.914 0.003 0.000 2.630 277 V HA 0.457 4.577 4.120 -0.000 0.000 0.305 277 V C 0.019 176.113 176.094 0.001 0.000 1.046 277 V CA -0.944 61.359 62.300 0.004 0.000 0.934 277 V CB 1.945 33.774 31.823 0.010 0.000 1.003 277 V HN 0.425 nan 8.190 nan 0.000 0.451 278 E N 1.784 121.984 120.200 0.000 0.000 2.314 278 E HA 0.238 4.588 4.350 -0.000 0.000 0.262 278 E C -0.290 176.310 176.600 -0.000 0.000 1.093 278 E CA -0.508 55.891 56.400 -0.001 0.000 0.908 278 E CB 1.022 30.721 29.700 -0.002 0.000 1.091 278 E HN 0.883 nan 8.360 nan 0.000 0.425 279 Q N -0.035 119.763 119.800 -0.002 0.000 2.263 279 Q HA 0.149 4.489 4.340 -0.000 0.000 0.289 279 Q C 0.607 176.607 176.000 0.000 0.000 1.061 279 Q CA 1.101 56.903 55.803 -0.002 0.000 0.927 279 Q CB -0.026 28.710 28.738 -0.003 0.000 1.154 279 Q HN 0.783 nan 8.270 nan 0.000 0.378 280 G N 3.623 112.424 108.800 0.002 0.000 2.199 280 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.254 280 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.254 280 G C -0.393 174.509 174.900 0.004 0.000 0.982 280 G CA 0.074 45.175 45.100 0.003 0.000 0.632 280 G HN 0.708 nan 8.290 nan 0.000 0.529 281 D N 0.480 120.883 120.400 0.005 0.000 2.414 281 D HA 0.391 5.030 4.640 -0.000 0.000 0.242 281 D C 0.915 177.221 176.300 0.010 0.000 1.129 281 D CA -0.043 53.960 54.000 0.005 0.000 0.885 281 D CB 1.471 42.275 40.800 0.006 0.000 1.198 281 D HN 0.166 nan 8.370 nan 0.000 0.437 282 V N 3.382 123.299 119.914 0.005 0.000 2.446 282 V HA -0.022 4.097 4.120 -0.000 0.000 0.276 282 V C 1.438 177.540 176.094 0.014 0.000 1.030 282 V CA -0.063 62.240 62.300 0.005 0.000 1.033 282 V CB 1.222 33.038 31.823 -0.011 0.000 0.993 282 V HN 0.393 nan 8.190 nan 0.000 0.477 283 V N 4.253 124.192 119.914 0.040 0.000 2.825 283 V HA 0.382 4.502 4.120 -0.000 0.000 0.246 283 V C 1.094 177.236 176.094 0.080 0.000 1.068 283 V CA 1.465 63.807 62.300 0.071 0.000 1.088 283 V CB 0.199 32.082 31.823 0.100 0.000 0.733 283 V HN 0.975 nan 8.190 nan 0.000 0.468 284 G N -0.652 108.188 108.800 0.067 0.000 2.608 284 G HA2 0.569 4.529 3.960 -0.000 0.000 0.291 284 G HA3 0.569 4.529 3.960 -0.000 0.000 0.291 284 G C -1.692 173.143 174.900 -0.109 0.000 1.425 284 G CA 0.153 45.191 45.100 -0.102 0.000 0.787 284 G HN 0.380 nan 8.290 nan 0.000 0.484 285 V N -1.962 117.769 119.914 -0.305 0.000 2.823 285 V HA 0.875 4.995 4.120 -0.000 0.000 0.312 285 V C -1.012 174.878 176.094 -0.341 0.000 1.072 285 V CA -1.204 60.929 62.300 -0.279 0.000 0.937 285 V CB 1.696 33.318 31.823 -0.336 0.000 1.013 285 V HN 0.887 nan 8.190 nan 0.000 0.430 286 L N 4.079 125.156 121.223 -0.243 0.000 2.305 286 L HA 0.625 4.965 4.340 -0.000 0.000 0.284 286 L C -0.380 176.352 176.870 -0.231 0.000 1.013 286 L CA -0.024 54.735 54.840 -0.135 0.000 0.819 286 L CB 0.927 42.991 42.059 0.008 0.000 1.227 286 L HN 0.790 nan 8.230 nan 0.000 0.417 287 H N 6.023 125.111 119.070 0.030 0.000 2.552 287 H HA 0.397 4.953 4.556 -0.000 0.000 0.311 287 H C -2.243 173.117 175.328 0.053 0.000 1.071 287 H CA -1.643 54.422 56.048 0.028 0.000 1.307 287 H CB 1.090 30.861 29.762 0.016 0.000 1.416 287 H HN 0.503 nan 8.280 nan 0.000 0.464 291 S N -0.488 115.230 115.700 0.031 0.000 2.535 291 S HA 0.549 5.018 4.470 -0.000 0.000 0.272 291 S C 0.233 174.850 174.600 0.028 0.000 1.149 291 S CA -0.582 57.634 58.200 0.026 0.000 0.888 291 S CB 1.171 64.387 63.200 0.028 0.000 1.110 291 S HN 0.121 nan 8.310 nan 0.000 0.463 292 L N 3.178 124.412 121.223 0.018 0.000 2.616 292 L HA 0.173 4.512 4.340 -0.000 0.000 0.229 292 L C 1.985 178.866 176.870 0.018 0.000 1.110 292 L CA 0.444 55.294 54.840 0.015 0.000 0.884 292 L CB 0.131 42.192 42.059 0.004 0.000 1.115 292 L HN 0.753 nan 8.230 nan 0.000 0.481 293 S N -0.201 115.510 115.700 0.018 0.000 2.439 293 S HA 0.187 4.656 4.470 -0.000 0.000 0.224 293 S C 1.189 175.802 174.600 0.022 0.000 1.029 293 S CA 0.101 58.311 58.200 0.017 0.000 0.946 293 S CB -0.071 63.137 63.200 0.013 0.000 0.797 293 S HN 0.188 nan 8.310 nan 0.000 0.504 294 A N 2.007 124.844 122.820 0.027 0.000 2.445 294 A HA 0.691 5.010 4.320 -0.000 0.000 0.242 294 A C 0.604 178.210 177.584 0.037 0.000 1.075 294 A CA -0.067 51.988 52.037 0.030 0.000 0.777 294 A CB -0.286 18.734 19.000 0.033 0.000 1.013 294 A HN 0.787 nan 8.150 nan 0.000 0.493 295 A N 2.159 124.997 122.820 0.029 0.000 2.351 295 A HA 0.550 4.870 4.320 -0.000 0.000 0.257 295 A C 0.788 178.387 177.584 0.026 0.000 1.087 295 A CA -0.128 51.925 52.037 0.028 0.000 0.798 295 A CB -0.020 18.989 19.000 0.015 0.000 1.033 295 A HN 0.928 nan 8.150 nan 0.000 0.488 296 S N 0.030 115.741 115.700 0.019 0.000 2.617 296 S HA 0.458 4.927 4.470 -0.000 0.000 0.269 296 S C -0.062 174.504 174.600 -0.058 0.000 1.292 296 S CA -0.122 58.054 58.200 -0.039 0.000 1.010 296 S CB 0.484 63.615 63.200 -0.115 0.000 0.944 296 S HN 0.481 nan 8.310 nan 0.000 0.536 297 I N 2.242 122.764 120.570 -0.080 0.000 2.336 297 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 297 I C -0.370 175.710 176.117 -0.062 0.000 0.991 297 I CA -0.621 60.650 61.300 -0.049 0.000 1.227 297 I CB 1.130 39.116 38.000 -0.023 0.000 1.366 297 I HN 0.439 nan 8.210 nan 0.000 0.466 298 D N 7.504 127.881 120.400 -0.039 0.000 2.304 298 D HA 0.386 5.025 4.640 -0.000 0.000 0.250 298 D C -0.165 176.136 176.300 0.002 0.000 1.107 298 D CA 0.172 54.155 54.000 -0.029 0.000 0.885 298 D CB 1.934 42.721 40.800 -0.021 0.000 1.192 298 D HN 0.286 nan 8.370 nan 0.000 0.436 299 I N 2.594 123.180 120.570 0.027 0.000 2.390 299 I HA 0.263 4.432 4.170 -0.000 0.000 0.283 299 I C 0.406 176.553 176.117 0.050 0.000 1.016 299 I CA -0.549 60.785 61.300 0.057 0.000 1.151 299 I CB 1.010 39.084 38.000 0.123 0.000 1.293 299 I HN -0.032 nan 8.210 nan 0.000 0.458 300 R N 4.029 124.548 120.500 0.032 0.000 2.604 300 R HA 0.730 5.070 4.340 -0.000 0.000 0.287 300 R C -0.148 176.166 176.300 0.024 0.000 0.970 300 R CA -0.806 55.309 56.100 0.025 0.000 0.946 300 R CB 1.918 32.225 30.300 0.013 0.000 1.127 300 R HN 0.688 nan 8.270 nan 0.000 0.473 301 A N 1.867 124.700 122.820 0.022 0.000 2.511 301 A HA 0.005 4.325 4.320 -0.000 0.000 0.242 301 A C 0.526 178.115 177.584 0.007 0.000 1.069 301 A CA 0.038 52.084 52.037 0.015 0.000 0.763 301 A CB 0.307 19.315 19.000 0.013 0.000 1.001 301 A HN 0.865 nan 8.150 nan 0.000 0.498 302 Q N 0.679 120.481 119.800 0.003 0.000 2.425 302 Q HA 0.100 4.440 4.340 -0.000 0.000 0.204 302 Q C 0.344 176.341 176.000 -0.005 0.000 0.933 302 Q CA 0.809 56.611 55.803 -0.001 0.000 0.939 302 Q CB 0.070 28.806 28.738 -0.002 0.000 1.044 302 Q HN 0.926 nan 8.270 nan 0.000 0.513 303 S N -1.004 114.691 115.700 -0.007 0.000 2.611 303 S HA 0.289 4.759 4.470 -0.000 0.000 0.268 303 S C -1.296 173.298 174.600 -0.010 0.000 1.156 303 S CA -1.174 57.020 58.200 -0.010 0.000 0.817 303 S CB 1.588 64.778 63.200 -0.016 0.000 1.122 303 S HN 0.079 nan 8.310 nan 0.000 0.466 304 K N 1.233 121.626 120.400 -0.010 0.000 2.416 304 K HA 0.495 4.815 4.320 -0.000 0.000 0.283 304 K C -0.382 176.210 176.600 -0.014 0.000 1.037 304 K CA 0.437 56.718 56.287 -0.010 0.000 0.995 304 K CB -0.021 32.474 32.500 -0.010 0.000 0.938 304 K HN 0.875 nan 8.250 nan 0.000 0.475 305 S N 1.701 117.394 115.700 -0.012 0.000 2.636 305 S HA 0.336 4.806 4.470 -0.000 0.000 0.268 305 S C -0.982 173.614 174.600 -0.007 0.000 1.159 305 S CA -1.129 57.061 58.200 -0.016 0.000 0.815 305 S CB 1.486 64.671 63.200 -0.024 0.000 1.130 305 S HN 0.454 nan 8.310 nan 0.000 0.471 306 T N 1.355 115.905 114.554 -0.006 0.000 2.859 306 T HA 0.568 4.918 4.350 -0.000 0.000 0.281 306 T C -0.359 174.356 174.700 0.026 0.000 1.005 306 T CA -0.531 61.574 62.100 0.008 0.000 1.025 306 T CB 1.328 70.201 68.868 0.008 0.000 0.977 306 T HN 0.589 nan 8.240 nan 0.000 0.458 307 V N 4.435 124.367 119.914 0.030 0.000 2.415 307 V HA 0.123 4.243 4.120 -0.000 0.000 0.267 307 V C 0.638 176.763 176.094 0.051 0.000 1.042 307 V CA 0.018 62.346 62.300 0.047 0.000 1.000 307 V CB -0.330 31.516 31.823 0.039 0.000 1.015 307 V HN 0.896 nan 8.190 nan 0.000 0.478 308 F N 4.797 124.699 119.950 -0.079 0.000 2.274 308 F HA 0.582 5.109 4.527 -0.000 0.000 0.288 308 F C 0.976 176.696 175.800 -0.134 0.000 1.069 308 F CA 0.705 58.625 58.000 -0.133 0.000 1.343 308 F CB 0.309 39.190 39.000 -0.199 0.000 1.089 308 F HN 0.481 nan 8.300 nan 0.000 0.517 309 A N 0.608 123.359 122.820 -0.116 0.000 2.549 309 A HA 0.668 4.988 4.320 -0.000 0.000 0.297 309 A C -1.654 176.153 177.584 0.371 0.000 1.061 309 A CA -0.498 51.502 52.037 -0.062 0.000 0.690 309 A CB 1.260 20.114 19.000 -0.244 0.000 1.287 309 A HN 0.316 nan 8.150 nan 0.000 0.402 310 I N 1.035 121.898 120.570 0.487 0.000 2.722 310 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 310 I C -0.558 175.644 176.117 0.143 0.000 1.267 310 I CA -0.752 60.755 61.300 0.345 0.000 1.036 310 I CB 1.617 39.749 38.000 0.221 0.000 1.281 310 I HN 0.781 nan 8.210 nan 0.000 0.423 311 R N 3.578 123.877 120.500 -0.334 0.000 2.641 311 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 311 R C -0.149 176.155 176.300 0.007 0.000 1.074 311 R CA -0.291 55.507 56.100 -0.504 0.000 1.133 311 R CB 0.927 30.730 30.300 -0.829 0.000 1.029 311 R HN 0.603 nan 8.270 nan 0.000 0.488 312 S N 0.632 116.316 115.700 -0.026 0.000 2.614 312 S HA 0.334 4.803 4.470 -0.000 0.000 0.265 312 S C 0.461 175.115 174.600 0.090 0.000 1.303 312 S CA -0.563 57.665 58.200 0.048 0.000 1.000 312 S CB 1.286 64.508 63.200 0.038 0.000 0.935 312 S HN 0.695 nan 8.310 nan 0.000 0.551 316 V N 2.863 122.352 119.914 -0.709 0.000 2.914 316 V HA 0.723 4.843 4.120 -0.000 0.000 0.314 316 V C -0.804 174.802 176.094 -0.813 0.000 1.084 316 V CA -0.860 61.085 62.300 -0.592 0.000 0.963 316 V CB 1.934 33.572 31.823 -0.308 0.000 1.025 316 V HN 0.783 nan 8.190 nan 0.000 0.432 317 Q N 1.311 120.828 119.800 -0.472 0.000 2.237 317 Q HA 0.485 4.825 4.340 -0.000 0.000 0.219 317 Q C 0.599 176.500 176.000 -0.165 0.000 0.999 317 Q CA 0.238 55.878 55.803 -0.271 0.000 0.959 317 Q CB 1.357 30.024 28.738 -0.119 0.000 1.173 317 Q HN 1.197 nan 8.270 nan 0.000 0.527 318 G N 0.574 109.324 108.800 -0.084 0.000 2.491 318 G HA2 0.082 4.042 3.960 -0.000 0.000 0.238 318 G HA3 0.082 4.042 3.960 -0.000 0.000 0.238 318 G C 0.371 175.243 174.900 -0.045 0.000 1.277 318 G CA 0.110 45.180 45.100 -0.051 0.000 0.851 318 G HN 0.871 nan 8.290 nan 0.000 0.573 319 N N -0.776 117.902 118.700 -0.037 0.000 2.741 319 N HA -0.185 4.555 4.740 -0.000 0.000 0.250 319 N C 0.156 175.649 175.510 -0.028 0.000 1.115 319 N CA 1.408 54.444 53.050 -0.024 0.000 0.724 319 N CB -0.744 37.738 38.487 -0.008 0.000 1.090 319 N HN 0.739 nan 8.380 nan 0.000 0.558 320 E N 0.485 120.648 120.200 -0.061 0.000 2.266 320 E HA 0.151 4.500 4.350 -0.000 0.000 0.277 320 E C -0.404 176.159 176.600 -0.063 0.000 1.018 320 E CA -0.541 55.823 56.400 -0.061 0.000 0.840 320 E CB 0.706 30.336 29.700 -0.116 0.000 1.082 320 E HN 0.265 nan 8.360 nan 0.000 0.395 321 E N 1.372 121.589 120.200 0.027 0.000 2.324 321 E HA 0.009 4.358 4.350 -0.000 0.000 0.271 321 E C 0.639 177.232 176.600 -0.012 0.000 1.028 321 E CA -0.086 56.379 56.400 0.109 0.000 0.890 321 E CB 0.962 30.838 29.700 0.292 0.000 1.004 321 E HN 0.353 nan 8.360 nan 0.000 0.431 322 V N -0.085 119.720 119.914 -0.183 0.000 3.572 322 V HA 0.546 4.666 4.120 -0.000 0.000 0.260 322 V C 0.319 176.181 176.094 -0.388 0.000 1.324 322 V CA 0.292 62.179 62.300 -0.688 0.000 1.068 322 V CB 0.510 31.538 31.823 -1.324 0.000 0.837 322 V HN 0.514 nan 8.190 nan 0.000 0.450 323 A N 0.657 123.531 122.820 0.091 0.000 2.574 323 A HA 0.816 5.136 4.320 -0.000 0.000 0.297 323 A C -1.424 176.327 177.584 0.278 0.000 1.062 323 A CA -0.432 51.773 52.037 0.279 0.000 0.686 323 A CB 1.773 20.871 19.000 0.163 0.000 1.285 323 A HN 0.160 nan 8.150 nan 0.000 0.403 324 I N 2.815 123.542 120.570 0.263 0.000 2.411 324 I HA 0.388 4.558 4.170 -0.000 0.000 0.284 324 I C -1.021 175.118 176.117 0.038 0.000 1.012 324 I CA -0.447 60.882 61.300 0.049 0.000 1.119 324 I CB 0.870 38.854 38.000 -0.027 0.000 1.261 324 I HN 0.404 nan 8.210 nan 0.000 0.448 325 L N 5.032 126.228 121.223 -0.045 0.000 2.352 325 L HA 0.872 5.212 4.340 -0.000 0.000 0.269 325 L C 0.368 177.164 176.870 -0.124 0.000 1.034 325 L CA -0.441 54.378 54.840 -0.035 0.000 0.806 325 L CB 1.635 43.681 42.059 -0.022 0.000 1.244 325 L HN 0.735 nan 8.230 nan 0.000 0.447 326 A N 2.175 124.941 122.820 -0.091 0.000 2.539 326 A HA 0.913 5.232 4.320 -0.000 0.000 0.296 326 A C -0.852 176.681 177.584 -0.086 0.000 1.073 326 A CA -0.714 51.238 52.037 -0.141 0.000 0.700 326 A CB 1.599 20.490 19.000 -0.183 0.000 1.296 326 A HN 0.633 nan 8.150 nan 0.000 0.405 327 R N 1.002 121.447 120.500 -0.091 0.000 2.807 327 R HA 0.596 4.936 4.340 -0.000 0.000 0.276 327 R C -2.850 173.416 176.300 -0.058 0.000 0.979 327 R CA -2.039 54.024 56.100 -0.061 0.000 0.928 327 R CB 2.171 32.437 30.300 -0.055 0.000 1.191 327 R HN 0.528 nan 8.270 nan 0.000 0.471 328 P HA 0.019 nan 4.420 nan 0.000 0.268 328 P C -0.273 177.006 177.300 -0.036 0.000 1.205 328 P CA 0.032 63.110 63.100 -0.036 0.000 0.771 328 P CB 0.687 32.371 31.700 -0.026 0.000 0.858 329 L N 1.856 123.058 121.223 -0.035 0.000 2.483 329 L HA 0.139 4.479 4.340 -0.000 0.000 0.276 329 L C 1.248 178.104 176.870 -0.022 0.000 1.213 329 L CA -0.468 54.354 54.840 -0.030 0.000 0.843 329 L CB 0.138 42.181 42.059 -0.027 0.000 1.107 329 L HN 0.451 nan 8.230 nan 0.000 0.487 330 A N 2.866 125.674 122.820 -0.020 0.000 2.546 330 A HA 0.426 4.746 4.320 -0.000 0.000 0.243 330 A C 0.563 178.140 177.584 -0.012 0.000 1.063 330 A CA 0.234 52.262 52.037 -0.015 0.000 0.757 330 A CB 0.072 19.064 19.000 -0.013 0.000 0.991 330 A HN 0.854 nan 8.150 nan 0.000 0.503 331 R N 0.000 120.494 120.500 -0.010 0.000 2.786 331 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 331 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 331 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 331 R HN 0.000 nan 8.270 nan 0.000 0.535