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 1mxf_1_A DATA FIRST_RESID 11 DATA SEQUENCE CPAAVITGGA RRIGHSIAVR LHQQGFRVVV HYRHSEGAAQ RLVAELNAAR DATA SEQUENCE AGSAVLCKGD LSLSSSLLDC CEDIIDCSFR AFGRCDVLVN NASAYYPTPL DATA SEQUENCE LPXXXXXXXX XXKPIDAQVA ELFGSNAVAP LFLIRAFARR QXXXXXXXXX DATA SEQUENCE NLSVVNLCDA XTDLPLPGFC VYTXAKHALG GLTRAAALEL APRHIRVNAV DATA SEQUENCE APGLSLLPPA XPQETQEEYR RKVPLGQSEA SAAQIADAIA FLVSKDAGYI DATA SEQUENCE TGTTLKVDGG LILARA 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 11 C HA 0.000 nan 4.460 nan 0.000 0.325 11 C C 0.000 174.853 174.990 -0.228 0.000 1.270 11 C CA 0.000 58.895 59.018 -0.206 0.000 1.963 11 C CB 0.000 27.620 27.740 -0.200 0.000 2.134 12 P HA 0.540 nan 4.420 nan 0.000 0.277 12 P C -1.010 176.201 177.300 -0.148 0.000 1.240 12 P CA 0.059 63.003 63.100 -0.260 0.000 0.798 12 P CB 1.252 32.702 31.700 -0.418 0.000 0.979 13 A N 1.368 124.186 122.820 -0.004 0.000 2.342 13 A HA 0.733 5.052 4.320 -0.000 0.000 0.323 13 A C -0.673 176.986 177.584 0.124 0.000 1.125 13 A CA -0.685 51.318 52.037 -0.056 0.000 0.785 13 A CB 1.179 20.088 19.000 -0.152 0.000 1.221 13 A HN 0.618 nan 8.150 nan 0.000 0.463 14 A N 1.695 124.553 122.820 0.064 0.000 2.356 14 A HA 0.661 4.981 4.320 -0.000 0.000 0.310 14 A C -0.889 176.698 177.584 0.004 0.000 1.075 14 A CA -0.434 51.585 52.037 -0.030 0.000 0.746 14 A CB 1.262 20.077 19.000 -0.309 0.000 1.221 14 A HN 1.050 nan 8.150 nan 0.000 0.443 15 V N 3.072 122.998 119.914 0.020 0.000 2.407 15 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 15 V C -0.745 175.347 176.094 -0.002 0.000 1.037 15 V CA -0.081 62.250 62.300 0.051 0.000 0.900 15 V CB 1.066 32.938 31.823 0.081 0.000 0.983 15 V HN 0.666 nan 8.190 nan 0.000 0.459 16 I N 4.481 125.068 120.570 0.029 0.000 2.420 16 I HA 0.299 4.469 4.170 -0.000 0.000 0.282 16 I C 0.604 176.752 176.117 0.052 0.000 1.019 16 I CA -0.116 61.189 61.300 0.009 0.000 1.130 16 I CB 1.883 39.888 38.000 0.009 0.000 1.262 16 I HN 0.716 nan 8.210 nan 0.000 0.454 17 T N 1.792 116.328 114.554 -0.029 0.000 2.907 17 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 17 T C 1.167 175.914 174.700 0.080 0.000 1.017 17 T CA 0.039 62.078 62.100 -0.102 0.000 1.118 17 T CB 1.208 69.877 68.868 -0.331 0.000 0.948 17 T HN 1.185 nan 8.240 nan 0.000 0.531 18 G N 1.659 110.654 108.800 0.325 0.000 2.225 18 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.267 18 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.267 18 G C 0.757 175.764 174.900 0.178 0.000 1.024 18 G CA 0.086 45.334 45.100 0.246 0.000 0.784 18 G HN 1.501 nan 8.290 nan 0.000 0.507 19 G N -0.908 108.009 108.800 0.195 0.000 3.314 19 G HA2 0.510 4.470 3.960 -0.000 0.000 0.238 19 G HA3 0.510 4.470 3.960 -0.000 0.000 0.238 19 G C 1.391 176.386 174.900 0.159 0.000 1.184 19 G CA 1.318 46.503 45.100 0.141 0.000 0.806 19 G HN 1.262 nan 8.290 nan 0.000 0.536 20 A N 0.285 123.201 122.820 0.160 0.000 1.970 20 A HA 0.382 4.702 4.320 -0.000 0.000 0.216 20 A C 1.532 179.184 177.584 0.113 0.000 1.170 20 A CA 0.527 52.638 52.037 0.124 0.000 0.645 20 A CB 0.180 19.214 19.000 0.057 0.000 0.816 20 A HN 0.374 nan 8.150 nan 0.000 0.447 21 R N -3.285 117.270 120.500 0.092 0.000 2.846 21 R HA 0.614 4.954 4.340 -0.000 0.000 0.263 21 R C 0.121 176.461 176.300 0.067 0.000 1.080 21 R CA -1.009 55.098 56.100 0.011 0.000 0.961 21 R CB 0.921 31.205 30.300 -0.027 0.000 1.231 21 R HN 0.286 nan 8.270 nan 0.000 0.465 22 R N -0.290 120.221 120.500 0.018 0.000 3.630 22 R HA -0.325 4.015 4.340 -0.000 0.000 0.547 22 R C 1.560 177.902 176.300 0.071 0.000 0.241 22 R CA 1.738 57.858 56.100 0.033 0.000 1.698 22 R CB -1.418 28.891 30.300 0.016 0.000 0.916 22 R HN 0.616 nan 8.270 nan 0.000 0.601 23 I N 0.309 120.903 120.570 0.040 0.000 2.151 23 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 23 I C 2.524 178.667 176.117 0.043 0.000 1.080 23 I CA 2.036 63.355 61.300 0.031 0.000 1.339 23 I CB -0.787 37.215 38.000 0.004 0.000 1.039 23 I HN 0.798 nan 8.210 nan 0.000 0.409 24 G N -0.590 108.244 108.800 0.055 0.000 2.442 24 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 24 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 24 G C 1.456 176.402 174.900 0.077 0.000 1.141 24 G CA 1.286 46.421 45.100 0.058 0.000 0.763 24 G HN 0.440 nan 8.290 nan 0.000 0.554 25 H N 0.503 119.578 119.070 0.010 0.000 2.293 25 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 25 H C 2.812 178.139 175.328 -0.001 0.000 1.082 25 H CA 1.966 58.017 56.048 0.004 0.000 1.308 25 H CB -0.320 29.442 29.762 -0.001 0.000 1.375 25 H HN 0.272 nan 8.280 nan 0.000 0.495 26 S N -0.694 115.048 115.700 0.070 0.000 2.383 26 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 26 S C 2.190 176.764 174.600 -0.044 0.000 1.030 26 S CA 1.545 59.748 58.200 0.006 0.000 1.002 26 S CB -0.421 62.806 63.200 0.044 0.000 0.829 26 S HN 0.477 nan 8.310 nan 0.000 0.467 27 I N 1.326 121.876 120.570 -0.034 0.000 2.202 27 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 27 I C 2.797 178.869 176.117 -0.075 0.000 1.091 27 I CA 1.071 62.340 61.300 -0.052 0.000 1.368 27 I CB -0.634 37.336 38.000 -0.050 0.000 1.058 27 I HN 0.340 nan 8.210 nan 0.000 0.410 28 A N 0.738 123.509 122.820 -0.082 0.000 1.883 28 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 28 A C 2.465 180.009 177.584 -0.068 0.000 1.186 28 A CA 1.965 53.957 52.037 -0.076 0.000 0.624 28 A CB -1.057 17.896 19.000 -0.078 0.000 0.822 28 A HN 0.229 nan 8.150 nan 0.000 0.444 29 V N 0.015 119.836 119.914 -0.155 0.000 2.233 29 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 29 V C 2.658 178.755 176.094 0.005 0.000 1.050 29 V CA 2.518 64.749 62.300 -0.115 0.000 1.010 29 V CB -0.868 30.842 31.823 -0.189 0.000 0.637 29 V HN 0.638 nan 8.190 nan 0.000 0.444 30 R N 0.305 120.796 120.500 -0.015 0.000 2.115 30 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 30 R C 2.118 178.445 176.300 0.045 0.000 1.133 30 R CA 2.018 58.126 56.100 0.015 0.000 0.935 30 R CB -1.031 29.266 30.300 -0.004 0.000 0.853 30 R HN 0.501 nan 8.270 nan 0.000 0.433 31 L N -0.424 120.802 121.223 0.005 0.000 2.127 31 L HA -0.230 4.109 4.340 -0.000 0.000 0.211 31 L C 2.655 179.635 176.870 0.183 0.000 1.089 31 L CA 1.692 56.538 54.840 0.009 0.000 0.757 31 L CB -0.772 41.131 42.059 -0.261 0.000 0.899 31 L HN 0.467 nan 8.230 nan 0.000 0.434 32 H N 0.729 119.827 119.070 0.047 0.000 2.363 32 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 32 H C 1.948 177.305 175.328 0.047 0.000 1.074 32 H CA 1.395 57.475 56.048 0.053 0.000 1.354 32 H CB 0.223 29.985 29.762 0.001 0.000 1.397 32 H HN 0.444 nan 8.280 nan 0.000 0.516 33 Q N 0.068 119.970 119.800 0.170 0.000 2.439 33 Q HA -0.100 4.240 4.340 -0.000 0.000 0.211 33 Q C 1.293 177.318 176.000 0.043 0.000 0.978 33 Q CA 0.748 56.614 55.803 0.105 0.000 0.897 33 Q CB 0.160 28.952 28.738 0.089 0.000 0.956 33 Q HN 0.631 nan 8.270 nan 0.000 0.483 34 Q N -1.055 118.784 119.800 0.064 0.000 2.220 34 Q HA 0.165 4.505 4.340 -0.000 0.000 0.205 34 Q C 0.485 176.463 176.000 -0.038 0.000 0.865 34 Q CA 0.291 56.130 55.803 0.059 0.000 0.960 34 Q CB 1.152 29.990 28.738 0.166 0.000 1.097 34 Q HN 0.464 nan 8.270 nan 0.000 0.493 35 G N 0.703 109.432 108.800 -0.118 0.000 2.141 35 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.231 35 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.231 35 G C -0.292 174.409 174.900 -0.331 0.000 0.984 35 G CA -0.493 44.462 45.100 -0.241 0.000 0.660 35 G HN 0.256 nan 8.290 nan 0.000 0.525 36 F N 1.047 120.853 119.950 -0.239 0.000 2.384 36 F HA 0.624 5.151 4.527 -0.000 0.000 0.338 36 F C 1.330 176.947 175.800 -0.305 0.000 1.103 36 F CA -0.464 57.399 58.000 -0.228 0.000 1.157 36 F CB 0.932 39.845 39.000 -0.146 0.000 1.167 36 F HN -0.071 nan 8.300 nan 0.000 0.529 37 R N 2.593 122.982 120.500 -0.186 0.000 2.229 37 R HA 0.524 4.864 4.340 -0.000 0.000 0.328 37 R C -1.158 174.915 176.300 -0.380 0.000 1.009 37 R CA -0.734 55.081 56.100 -0.476 0.000 0.864 37 R CB 1.258 30.894 30.300 -1.107 0.000 1.085 37 R HN 0.504 nan 8.270 nan 0.000 0.453 38 V N 0.403 120.274 119.914 -0.071 0.000 2.581 38 V HA 0.536 4.656 4.120 -0.000 0.000 0.303 38 V C -0.114 176.125 176.094 0.241 0.000 1.041 38 V CA -0.860 61.483 62.300 0.071 0.000 0.907 38 V CB 2.043 33.921 31.823 0.092 0.000 0.994 38 V HN 0.357 nan 8.190 nan 0.000 0.442 39 V N 5.277 125.338 119.914 0.245 0.000 2.318 39 V HA 0.302 4.422 4.120 -0.000 0.000 0.271 39 V C 0.117 176.331 176.094 0.199 0.000 1.030 39 V CA -0.331 62.132 62.300 0.272 0.000 0.844 39 V CB 1.440 33.417 31.823 0.257 0.000 1.015 39 V HN 0.790 nan 8.190 nan 0.000 0.460 40 V N 5.998 126.028 119.914 0.193 0.000 2.353 40 V HA 0.234 4.353 4.120 -0.000 0.000 0.264 40 V C 0.350 176.606 176.094 0.270 0.000 1.049 40 V CA -0.477 61.936 62.300 0.189 0.000 0.896 40 V CB 0.391 32.294 31.823 0.133 0.000 1.025 40 V HN 0.858 nan 8.190 nan 0.000 0.475 41 H N 6.248 125.420 119.070 0.170 0.000 2.481 41 H HA 0.550 5.106 4.556 -0.000 0.000 0.339 41 H C -1.001 174.481 175.328 0.257 0.000 1.131 41 H CA -0.287 55.870 56.048 0.181 0.000 1.301 41 H CB 1.688 31.503 29.762 0.089 0.000 1.476 41 H HN 0.648 nan 8.280 nan 0.000 0.529 42 Y N 1.898 121.786 120.300 -0.687 0.000 2.744 42 Y HA 0.389 4.939 4.550 -0.000 0.000 0.330 42 Y C 0.235 175.812 175.900 -0.538 0.000 1.263 42 Y CA -1.146 56.712 58.100 -0.403 0.000 1.065 42 Y CB 0.945 39.329 38.460 -0.126 0.000 1.306 42 Y HN 0.577 nan 8.280 nan 0.000 0.459 43 R N -1.175 119.148 120.500 -0.296 0.000 2.411 43 R HA 0.202 4.542 4.340 -0.000 0.000 0.176 43 R C 0.496 176.686 176.300 -0.184 0.000 1.072 43 R CA 0.460 56.311 56.100 -0.415 0.000 1.132 43 R CB 0.218 30.285 30.300 -0.387 0.000 1.203 43 R HN 0.889 nan 8.270 nan 0.000 0.537 44 H N -0.758 118.389 119.070 0.128 0.000 3.058 44 H HA 0.344 4.900 4.556 -0.000 0.000 0.258 44 H C 0.459 175.910 175.328 0.203 0.000 1.015 44 H CA 0.024 56.165 56.048 0.154 0.000 1.210 44 H CB 0.934 30.748 29.762 0.088 0.000 1.481 44 H HN 0.008 nan 8.280 nan 0.000 0.492 45 S N 2.237 118.135 115.700 0.330 0.000 3.033 45 S HA -0.044 4.425 4.470 -0.000 0.000 0.258 45 S C 1.784 176.363 174.600 -0.035 0.000 1.207 45 S CA -0.005 58.282 58.200 0.145 0.000 1.248 45 S CB -0.027 63.229 63.200 0.093 0.000 0.932 45 S HN 0.370 nan 8.310 nan 0.000 0.472 46 E N 1.910 122.130 120.200 0.032 0.000 2.147 46 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 46 E C 2.033 178.469 176.600 -0.274 0.000 1.005 46 E CA 1.503 57.746 56.400 -0.261 0.000 0.810 46 E CB -0.293 29.497 29.700 0.150 0.000 0.736 46 E HN 0.643 nan 8.360 nan 0.000 0.460 47 G N 0.706 109.434 108.800 -0.119 0.000 2.414 47 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 47 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 47 G C 1.730 176.559 174.900 -0.119 0.000 1.188 47 G CA 1.319 46.361 45.100 -0.096 0.000 0.783 47 G HN 0.425 nan 8.290 nan 0.000 0.537 48 A N 1.159 123.910 122.820 -0.115 0.000 1.933 48 A HA 0.234 4.554 4.320 -0.000 0.000 0.218 48 A C 2.796 180.309 177.584 -0.117 0.000 1.175 48 A CA 2.280 54.255 52.037 -0.105 0.000 0.628 48 A CB -0.751 18.194 19.000 -0.092 0.000 0.814 48 A HN 0.800 nan 8.150 nan 0.000 0.444 49 A N -0.762 121.916 122.820 -0.235 0.000 1.902 49 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 49 A C 2.120 179.590 177.584 -0.190 0.000 1.181 49 A CA 1.728 53.593 52.037 -0.286 0.000 0.623 49 A CB -0.524 18.006 19.000 -0.784 0.000 0.818 49 A HN 0.654 nan 8.150 nan 0.000 0.443 50 Q N -0.984 118.698 119.800 -0.197 0.000 2.172 50 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 50 Q C 2.297 178.263 176.000 -0.056 0.000 0.964 50 Q CA 1.069 56.809 55.803 -0.106 0.000 0.855 50 Q CB -0.082 28.600 28.738 -0.094 0.000 0.918 50 Q HN 0.597 nan 8.270 nan 0.000 0.444 51 R N -0.008 120.460 120.500 -0.053 0.000 2.115 51 R HA -0.086 4.254 4.340 -0.000 0.000 0.226 51 R C 2.137 178.438 176.300 0.002 0.000 1.100 51 R CA 0.640 56.725 56.100 -0.024 0.000 0.980 51 R CB -0.154 30.129 30.300 -0.028 0.000 0.875 51 R HN 0.169 nan 8.270 nan 0.000 0.445 52 L N 0.447 121.681 121.223 0.020 0.000 2.044 52 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 52 L C 1.982 178.845 176.870 -0.011 0.000 1.075 52 L CA 1.556 56.431 54.840 0.059 0.000 0.747 52 L CB -0.391 41.744 42.059 0.128 0.000 0.903 52 L HN -0.152 nan 8.230 nan 0.000 0.435 53 V N 0.324 120.232 119.914 -0.010 0.000 2.407 53 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 53 V C 2.807 178.899 176.094 -0.004 0.000 1.055 53 V CA 1.540 63.839 62.300 -0.001 0.000 1.049 53 V CB -1.266 30.568 31.823 0.019 0.000 0.662 53 V HN 0.605 nan 8.190 nan 0.000 0.455 54 A N -0.440 122.376 122.820 -0.007 0.000 1.873 54 A HA -0.257 4.063 4.320 -0.000 0.000 0.215 54 A C 2.267 179.844 177.584 -0.012 0.000 1.186 54 A CA 1.860 53.896 52.037 -0.002 0.000 0.616 54 A CB -0.559 18.439 19.000 -0.004 0.000 0.823 54 A HN 0.590 nan 8.150 nan 0.000 0.442 55 E N -0.156 120.030 120.200 -0.023 0.000 2.097 55 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 55 E C 1.887 178.438 176.600 -0.081 0.000 1.000 55 E CA 1.419 57.797 56.400 -0.035 0.000 0.804 55 E CB -0.206 29.480 29.700 -0.024 0.000 0.740 55 E HN 0.647 nan 8.360 nan 0.000 0.454 56 L N 0.535 121.675 121.223 -0.139 0.000 2.131 56 L HA -0.097 4.242 4.340 -0.000 0.000 0.206 56 L C 2.235 179.058 176.870 -0.078 0.000 1.087 56 L CA 0.513 55.172 54.840 -0.302 0.000 0.767 56 L CB -0.408 41.377 42.059 -0.456 0.000 0.917 56 L HN 0.148 nan 8.230 nan 0.000 0.441 57 N N 0.444 119.146 118.700 0.003 0.000 2.331 57 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 57 N C 1.838 177.379 175.510 0.052 0.000 1.019 57 N CA 1.244 54.333 53.050 0.065 0.000 0.881 57 N CB 0.066 38.589 38.487 0.060 0.000 0.972 57 N HN 0.279 nan 8.380 nan 0.000 0.435 58 A N 0.902 123.737 122.820 0.025 0.000 1.930 58 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 58 A C 2.328 179.935 177.584 0.039 0.000 1.175 58 A CA 1.629 53.681 52.037 0.025 0.000 0.627 58 A CB -0.535 18.471 19.000 0.011 0.000 0.815 58 A HN 0.284 nan 8.150 nan 0.000 0.443 59 A N -1.290 121.557 122.820 0.046 0.000 1.968 59 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 59 A C 1.284 178.939 177.584 0.118 0.000 1.169 59 A CA 0.789 52.877 52.037 0.084 0.000 0.638 59 A CB 0.006 19.072 19.000 0.109 0.000 0.812 59 A HN 0.403 nan 8.150 nan 0.000 0.446 60 R N -1.192 119.394 120.500 0.144 0.000 2.659 60 R HA 0.424 4.764 4.340 -0.000 0.000 0.290 60 R C -0.860 175.514 176.300 0.123 0.000 1.253 60 R CA -0.061 56.114 56.100 0.125 0.000 1.010 60 R CB 1.509 31.885 30.300 0.127 0.000 1.236 60 R HN 0.327 nan 8.270 nan 0.000 0.413 61 A N 0.980 123.851 122.820 0.085 0.000 2.561 61 A HA 0.379 4.699 4.320 -0.000 0.000 0.234 61 A C 1.323 178.971 177.584 0.106 0.000 1.055 61 A CA 1.197 53.283 52.037 0.082 0.000 0.756 61 A CB -0.111 18.923 19.000 0.058 0.000 0.986 61 A HN 1.054 nan 8.150 nan 0.000 0.505 62 G N 1.151 110.022 108.800 0.120 0.000 2.258 62 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.274 62 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.274 62 G C 0.898 175.969 174.900 0.286 0.000 1.021 62 G CA 1.381 46.579 45.100 0.164 0.000 0.798 62 G HN 2.093 nan 8.290 nan 0.000 0.507 63 S N -2.003 113.855 115.700 0.263 0.000 2.503 63 S HA 0.700 5.170 4.470 -0.000 0.000 0.215 63 S C 0.979 175.785 174.600 0.344 0.000 1.003 63 S CA 1.132 59.490 58.200 0.264 0.000 0.910 63 S CB 0.775 64.121 63.200 0.243 0.000 0.790 63 S HN 1.892 nan 8.310 nan 0.000 0.514 64 A N 0.836 123.863 122.820 0.346 0.000 2.422 64 A HA 0.807 5.127 4.320 -0.000 0.000 0.302 64 A C -0.980 176.759 177.584 0.259 0.000 1.041 64 A CA -0.665 51.563 52.037 0.318 0.000 0.708 64 A CB 2.026 21.125 19.000 0.165 0.000 1.257 64 A HN 0.511 nan 8.150 nan 0.000 0.414 65 V N 2.906 122.981 119.914 0.268 0.000 3.001 65 V HA 0.761 4.881 4.120 -0.000 0.000 0.314 65 V C -1.347 174.830 176.094 0.139 0.000 1.099 65 V CA -0.751 61.629 62.300 0.133 0.000 0.989 65 V CB 1.959 33.788 31.823 0.010 0.000 1.040 65 V HN 0.915 nan 8.190 nan 0.000 0.434 66 L N 3.541 124.831 121.223 0.113 0.000 2.352 66 L HA 0.802 5.142 4.340 -0.000 0.000 0.269 66 L C -0.593 176.384 176.870 0.178 0.000 1.034 66 L CA -0.070 54.865 54.840 0.158 0.000 0.806 66 L CB 1.511 43.654 42.059 0.139 0.000 1.244 66 L HN 0.890 nan 8.230 nan 0.000 0.447 67 C N 3.884 123.327 119.300 0.238 0.000 2.928 67 C HA 0.401 4.861 4.460 -0.000 0.000 0.396 67 C C -0.760 174.173 174.990 -0.096 0.000 1.052 67 C CA -1.112 57.979 59.018 0.121 0.000 1.251 67 C CB 0.566 28.392 27.740 0.143 0.000 1.684 67 C HN 0.893 nan 8.230 nan 0.000 0.501 68 K N 3.711 123.939 120.400 -0.287 0.000 2.138 68 K HA 0.806 5.126 4.320 -0.000 0.000 0.263 68 K C 0.029 176.382 176.600 -0.412 0.000 0.965 68 K CA 0.185 56.013 56.287 -0.764 0.000 0.868 68 K CB 1.549 33.576 32.500 -0.789 0.000 1.083 68 K HN 1.145 nan 8.250 nan 0.000 0.443 69 G N 2.121 110.645 108.800 -0.460 0.000 2.442 69 G HA2 0.126 4.086 3.960 -0.000 0.000 0.296 69 G HA3 0.126 4.086 3.960 -0.000 0.000 0.296 69 G C -2.125 172.742 174.900 -0.056 0.000 1.564 69 G CA -0.817 44.197 45.100 -0.144 0.000 0.828 69 G HN 0.646 nan 8.290 nan 0.000 0.571 70 D N -0.283 120.114 120.400 -0.006 0.000 2.175 70 D HA 0.577 5.217 4.640 -0.000 0.000 0.248 70 D C 0.951 177.297 176.300 0.078 0.000 1.047 70 D CA -0.621 53.389 54.000 0.016 0.000 0.883 70 D CB 1.457 42.261 40.800 0.007 0.000 1.180 70 D HN 0.178 nan 8.370 nan 0.000 0.438 71 L N 1.895 123.168 121.223 0.083 0.000 2.910 71 L HA 0.276 4.615 4.340 -0.000 0.000 0.252 71 L C 0.214 177.133 176.870 0.082 0.000 1.195 71 L CA -0.290 54.600 54.840 0.083 0.000 1.003 71 L CB 0.236 42.328 42.059 0.055 0.000 1.328 71 L HN 0.236 nan 8.230 nan 0.000 0.540 72 S N 0.672 116.424 115.700 0.087 0.000 2.593 72 S HA 0.368 4.838 4.470 -0.000 0.000 0.269 72 S C 0.328 174.989 174.600 0.101 0.000 1.334 72 S CA -0.593 57.665 58.200 0.097 0.000 1.015 72 S CB 1.047 64.307 63.200 0.099 0.000 0.912 72 S HN 0.122 nan 8.310 nan 0.000 0.541 73 L N 2.133 123.418 121.223 0.104 0.000 2.506 73 L HA 0.318 4.658 4.340 -0.000 0.000 0.281 73 L C 0.682 177.609 176.870 0.095 0.000 1.228 73 L CA 0.293 55.195 54.840 0.104 0.000 0.850 73 L CB 0.427 42.536 42.059 0.084 0.000 1.110 73 L HN 0.792 nan 8.230 nan 0.000 0.496 74 S N 0.407 116.168 115.700 0.102 0.000 2.688 74 S HA 0.111 4.581 4.470 -0.000 0.000 0.269 74 S C 0.358 175.003 174.600 0.075 0.000 1.060 74 S CA -0.160 58.087 58.200 0.078 0.000 0.844 74 S CB 0.906 64.149 63.200 0.071 0.000 1.095 74 S HN 0.512 nan 8.310 nan 0.000 0.466 75 S N 1.145 116.875 115.700 0.050 0.000 2.423 75 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 75 S C 1.488 176.104 174.600 0.027 0.000 1.014 75 S CA 1.527 59.748 58.200 0.034 0.000 0.965 75 S CB -0.275 62.938 63.200 0.022 0.000 0.785 75 S HN 0.628 nan 8.310 nan 0.000 0.495 76 S N 1.247 116.969 115.700 0.036 0.000 2.524 76 S HA 0.189 4.659 4.470 -0.000 0.000 0.216 76 S C 1.541 176.169 174.600 0.047 0.000 0.987 76 S CA -0.142 58.077 58.200 0.030 0.000 0.909 76 S CB -0.121 63.098 63.200 0.032 0.000 0.781 76 S HN 0.288 nan 8.310 nan 0.000 0.521 77 L N 2.260 123.536 121.223 0.087 0.000 1.990 77 L HA -0.104 4.236 4.340 -0.000 0.000 0.213 77 L C 2.052 178.996 176.870 0.123 0.000 1.072 77 L CA 1.593 56.523 54.840 0.150 0.000 0.755 77 L CB -0.874 41.338 42.059 0.255 0.000 0.889 77 L HN 0.304 nan 8.230 nan 0.000 0.432 78 L N -0.299 120.908 121.223 -0.026 0.000 2.013 78 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 78 L C 2.128 178.913 176.870 -0.142 0.000 1.073 78 L CA 2.203 56.852 54.840 -0.319 0.000 0.753 78 L CB -1.156 40.609 42.059 -0.489 0.000 0.890 78 L HN 0.409 nan 8.230 nan 0.000 0.432 79 D N -1.452 118.906 120.400 -0.070 0.000 2.183 79 D HA -0.184 4.456 4.640 -0.000 0.000 0.203 79 D C 2.325 178.632 176.300 0.012 0.000 0.969 79 D CA 1.350 55.332 54.000 -0.031 0.000 0.842 79 D CB -0.469 40.318 40.800 -0.020 0.000 0.957 79 D HN 0.547 nan 8.370 nan 0.000 0.484 80 C N 0.447 119.768 119.300 0.035 0.000 2.446 80 C HA -0.131 4.328 4.460 -0.000 0.000 0.277 80 C C 3.051 178.091 174.990 0.083 0.000 1.275 80 C CA 0.486 59.541 59.018 0.061 0.000 1.727 80 C CB -1.089 26.696 27.740 0.074 0.000 2.010 80 C HN 0.384 nan 8.230 nan 0.000 0.486 81 C N 0.300 119.660 119.300 0.099 0.000 2.440 81 C HA -0.031 4.429 4.460 -0.000 0.000 0.278 81 C C 2.640 177.693 174.990 0.106 0.000 1.295 81 C CA 0.711 59.803 59.018 0.124 0.000 1.738 81 C CB -1.194 26.669 27.740 0.204 0.000 1.987 81 C HN 0.620 nan 8.230 nan 0.000 0.492 82 E N 1.200 121.440 120.200 0.066 0.000 2.077 82 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 82 E C 1.619 178.267 176.600 0.081 0.000 0.989 82 E CA 1.286 57.722 56.400 0.060 0.000 0.800 82 E CB -0.462 29.245 29.700 0.012 0.000 0.746 82 E HN 0.639 nan 8.360 nan 0.000 0.452 83 D N 0.559 121.001 120.400 0.071 0.000 2.183 83 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 83 D C 1.929 178.289 176.300 0.101 0.000 0.969 83 D CA 0.171 54.217 54.000 0.076 0.000 0.842 83 D CB -0.052 40.782 40.800 0.056 0.000 0.957 83 D HN 0.131 nan 8.370 nan 0.000 0.484 84 I N 1.244 121.882 120.570 0.114 0.000 2.315 84 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 84 I C 1.784 177.990 176.117 0.148 0.000 1.117 84 I CA 0.795 62.175 61.300 0.134 0.000 1.404 84 I CB -0.139 37.942 38.000 0.136 0.000 1.071 84 I HN -0.126 nan 8.210 nan 0.000 0.419 85 I N 0.860 121.530 120.570 0.167 0.000 2.286 85 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 85 I C 2.314 178.593 176.117 0.270 0.000 1.104 85 I CA 1.377 62.809 61.300 0.221 0.000 1.397 85 I CB -1.512 36.647 38.000 0.265 0.000 1.072 85 I HN 0.222 nan 8.210 nan 0.000 0.417 86 D N 0.375 120.920 120.400 0.242 0.000 2.149 86 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 86 D C 2.437 178.862 176.300 0.208 0.000 0.990 86 D CA 1.231 55.383 54.000 0.254 0.000 0.839 86 D CB -0.119 40.761 40.800 0.134 0.000 0.948 86 D HN 0.325 nan 8.370 nan 0.000 0.460 87 C N -0.538 118.846 119.300 0.140 0.000 2.403 87 C HA -0.133 4.326 4.460 -0.000 0.000 0.277 87 C C 2.906 177.929 174.990 0.055 0.000 1.248 87 C CA 1.724 60.792 59.018 0.084 0.000 1.762 87 C CB -1.583 26.210 27.740 0.089 0.000 2.014 87 C HN 0.449 nan 8.230 nan 0.000 0.486 88 S N -1.103 114.654 115.700 0.095 0.000 2.383 88 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 88 S C 1.540 176.134 174.600 -0.009 0.000 1.026 88 S CA 1.491 59.740 58.200 0.082 0.000 0.981 88 S CB -0.462 62.741 63.200 0.006 0.000 0.818 88 S HN 0.629 nan 8.310 nan 0.000 0.472 89 F N 1.840 121.845 119.950 0.091 0.000 2.163 89 F HA 0.173 4.700 4.527 -0.000 0.000 0.297 89 F C 2.642 178.447 175.800 0.008 0.000 1.094 89 F CA 0.725 58.760 58.000 0.059 0.000 1.290 89 F CB -0.328 38.690 39.000 0.031 0.000 1.017 89 F HN 0.048 nan 8.300 nan 0.000 0.483 90 R N 0.406 120.996 120.500 0.149 0.000 2.070 90 R HA -0.099 4.240 4.340 -0.000 0.000 0.233 90 R C 2.353 178.608 176.300 -0.076 0.000 1.137 90 R CA 1.453 57.575 56.100 0.038 0.000 0.945 90 R CB -1.525 28.783 30.300 0.014 0.000 0.845 90 R HN 0.307 nan 8.270 nan 0.000 0.430 91 A N -0.287 122.390 122.820 -0.238 0.000 1.929 91 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 91 A C 1.282 178.464 177.584 -0.671 0.000 1.176 91 A CA 1.098 52.779 52.037 -0.592 0.000 0.628 91 A CB -0.143 18.242 19.000 -1.026 0.000 0.816 91 A HN 0.281 nan 8.150 nan 0.000 0.444 92 F N -2.032 117.931 119.950 0.022 0.000 2.798 92 F HA 0.406 4.933 4.527 -0.000 0.000 0.328 92 F C 1.666 177.474 175.800 0.015 0.000 1.098 92 F CA -0.160 57.842 58.000 0.003 0.000 1.172 92 F CB -0.012 38.972 39.000 -0.027 0.000 1.072 92 F HN 0.296 nan 8.300 nan 0.000 0.555 93 G N 1.778 110.696 108.800 0.195 0.000 2.166 93 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 93 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 93 G C 0.271 175.352 174.900 0.302 0.000 0.986 93 G CA 0.642 45.896 45.100 0.257 0.000 0.683 93 G HN 0.624 nan 8.290 nan 0.000 0.527 94 R N -2.766 117.732 120.500 -0.003 0.000 2.728 94 R HA 0.681 5.020 4.340 -0.000 0.000 0.274 94 R C -1.381 174.535 176.300 -0.640 0.000 1.032 94 R CA -0.502 55.422 56.100 -0.294 0.000 0.866 94 R CB 0.644 30.932 30.300 -0.019 0.000 1.263 94 R HN 0.719 nan 8.270 nan 0.000 0.475 95 C N 1.742 120.668 119.300 -0.624 0.000 2.727 95 C HA 0.441 4.901 4.460 -0.000 0.000 0.369 95 C C -0.596 174.372 174.990 -0.037 0.000 1.067 95 C CA -0.321 58.503 59.018 -0.324 0.000 1.273 95 C CB 0.698 28.168 27.740 -0.449 0.000 1.778 95 C HN 1.036 nan 8.230 nan 0.000 0.467 96 D N 2.118 122.613 120.400 0.158 0.000 2.431 96 D HA 0.217 4.857 4.640 -0.000 0.000 0.227 96 D C 0.023 176.569 176.300 0.410 0.000 1.030 96 D CA 0.549 54.715 54.000 0.276 0.000 0.897 96 D CB 0.495 41.428 40.800 0.221 0.000 1.058 96 D HN 0.361 nan 8.370 nan 0.000 0.500 97 V N 1.397 121.474 119.914 0.271 0.000 2.656 97 V HA 0.476 4.595 4.120 -0.000 0.000 0.307 97 V C -1.377 174.671 176.094 -0.078 0.000 1.051 97 V CA -0.983 61.328 62.300 0.018 0.000 0.893 97 V CB 2.493 34.198 31.823 -0.198 0.000 0.999 97 V HN -0.012 nan 8.190 nan 0.000 0.426 98 L N 6.118 127.168 121.223 -0.289 0.000 2.372 98 L HA 0.732 5.072 4.340 -0.000 0.000 0.274 98 L C -0.890 175.833 176.870 -0.245 0.000 0.988 98 L CA -0.137 54.530 54.840 -0.288 0.000 0.833 98 L CB 1.890 43.628 42.059 -0.535 0.000 1.236 98 L HN 0.414 nan 8.230 nan 0.000 0.410 99 V N 5.176 124.989 119.914 -0.169 0.000 2.313 99 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 99 V C -0.052 175.973 176.094 -0.117 0.000 1.017 99 V CA -0.670 61.544 62.300 -0.144 0.000 0.823 99 V CB 1.067 32.814 31.823 -0.127 0.000 1.010 99 V HN 0.704 nan 8.190 nan 0.000 0.443 100 N N 3.978 122.606 118.700 -0.121 0.000 2.605 100 N HA 0.079 4.819 4.740 -0.000 0.000 0.258 100 N C 0.817 176.278 175.510 -0.083 0.000 1.156 100 N CA 0.133 53.119 53.050 -0.107 0.000 1.008 100 N CB 0.697 39.117 38.487 -0.111 0.000 1.354 100 N HN 0.705 nan 8.380 nan 0.000 0.509 101 N N 1.414 120.075 118.700 -0.065 0.000 2.439 101 N HA 0.047 4.787 4.740 -0.000 0.000 0.176 101 N C 0.264 175.766 175.510 -0.014 0.000 1.029 101 N CA -0.066 52.963 53.050 -0.035 0.000 0.886 101 N CB 0.182 38.660 38.487 -0.015 0.000 1.057 101 N HN 0.408 nan 8.380 nan 0.000 0.437 102 A N 0.164 122.975 122.820 -0.015 0.000 2.603 102 A HA 0.330 4.650 4.320 -0.000 0.000 0.235 102 A C 0.121 177.718 177.584 0.023 0.000 1.035 102 A CA 0.757 52.806 52.037 0.019 0.000 0.755 102 A CB -0.286 18.704 19.000 -0.015 0.000 0.954 102 A HN 0.344 nan 8.150 nan 0.000 0.511 103 S N 0.972 116.709 115.700 0.062 0.000 2.582 103 S HA 0.560 5.030 4.470 -0.000 0.000 0.287 103 S C -0.586 174.095 174.600 0.135 0.000 1.146 103 S CA 0.037 58.290 58.200 0.088 0.000 0.941 103 S CB 0.586 63.840 63.200 0.091 0.000 1.115 103 S HN 2.134 nan 8.310 nan 0.000 0.458 104 A N 3.537 126.444 122.820 0.145 0.000 2.327 104 A HA 0.748 5.068 4.320 -0.000 0.000 0.283 104 A C -1.096 176.589 177.584 0.168 0.000 1.127 104 A CA -0.321 51.815 52.037 0.165 0.000 0.810 104 A CB 0.430 19.514 19.000 0.141 0.000 1.066 104 A HN 1.341 nan 8.150 nan 0.000 0.492 105 Y N 2.928 123.210 120.300 -0.029 0.000 2.307 105 Y HA 0.532 5.082 4.550 -0.000 0.000 0.323 105 Y C -1.523 174.385 175.900 0.014 0.000 1.100 105 Y CA -0.998 57.002 58.100 -0.167 0.000 1.140 105 Y CB 1.140 39.485 38.460 -0.191 0.000 1.159 105 Y HN 0.889 nan 8.280 nan 0.000 0.436 106 Y N 4.474 124.583 120.300 -0.318 0.000 2.732 106 Y HA 0.699 5.249 4.550 -0.000 0.000 0.342 106 Y C -3.320 172.050 175.900 -0.882 0.000 1.203 106 Y CA -2.945 54.869 58.100 -0.477 0.000 1.092 106 Y CB 0.542 38.862 38.460 -0.233 0.000 1.345 106 Y HN 0.328 nan 8.280 nan 0.000 0.458 107 P HA 0.256 nan 4.420 nan 0.000 0.272 107 P C -0.310 176.785 177.300 -0.342 0.000 1.223 107 P CA 0.029 62.453 63.100 -1.126 0.000 0.784 107 P CB 1.339 32.501 31.700 -0.897 0.000 0.923 108 T N -2.284 112.113 114.554 -0.261 0.000 3.686 108 T HA 0.275 4.625 4.350 -0.000 0.000 0.248 108 T C -2.576 172.094 174.700 -0.051 0.000 1.090 108 T CA -1.590 60.468 62.100 -0.070 0.000 1.659 108 T CB -0.167 68.705 68.868 0.006 0.000 0.780 108 T HN 0.255 nan 8.240 nan 0.000 0.632 109 P HA 0.152 nan 4.420 nan 0.000 0.262 109 P C 1.189 178.489 177.300 -0.001 0.000 1.182 109 P CA -0.406 62.681 63.100 -0.022 0.000 0.761 109 P CB 1.258 32.943 31.700 -0.025 0.000 0.795 110 L N 1.827 123.057 121.223 0.013 0.000 2.017 110 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 110 L C 1.218 178.094 176.870 0.010 0.000 1.073 110 L CA 1.117 55.966 54.840 0.016 0.000 0.745 110 L CB -0.405 41.666 42.059 0.021 0.000 0.894 110 L HN 0.352 nan 8.230 nan 0.000 0.432 111 L N 0.653 121.881 121.223 0.009 0.000 2.307 111 L HA 0.343 4.683 4.340 -0.000 0.000 0.282 111 L C -1.452 175.419 176.870 0.002 0.000 1.051 111 L CA -1.594 53.250 54.840 0.006 0.000 0.804 111 L CB 0.032 42.096 42.059 0.008 0.000 1.197 111 L HN 0.006 nan 8.230 nan 0.000 0.431 124 P HA -0.012 nan 4.420 nan 0.000 0.264 124 P C 0.544 177.863 177.300 0.032 0.000 1.179 124 P CA -0.303 62.804 63.100 0.012 0.000 0.763 124 P CB 0.447 32.155 31.700 0.013 0.000 0.806 125 I N 2.256 122.845 120.570 0.032 0.000 2.286 125 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 125 I C 1.379 177.529 176.117 0.055 0.000 1.115 125 I CA 1.748 63.077 61.300 0.048 0.000 1.392 125 I CB -0.343 37.676 38.000 0.033 0.000 1.065 125 I HN 0.311 nan 8.210 nan 0.000 0.418 126 D N 0.907 121.329 120.400 0.037 0.000 2.117 126 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 126 D C 2.195 178.527 176.300 0.052 0.000 0.987 126 D CA 1.573 55.592 54.000 0.031 0.000 0.829 126 D CB -0.259 40.551 40.800 0.018 0.000 0.961 126 D HN 0.507 nan 8.370 nan 0.000 0.460 127 A N 1.087 123.942 122.820 0.059 0.000 1.930 127 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 127 A C 2.177 179.837 177.584 0.126 0.000 1.175 127 A CA 1.244 53.327 52.037 0.076 0.000 0.627 127 A CB -0.510 18.524 19.000 0.057 0.000 0.815 127 A HN 0.207 nan 8.150 nan 0.000 0.443 128 Q N -0.201 119.689 119.800 0.149 0.000 2.046 128 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 128 Q C 2.200 178.333 176.000 0.223 0.000 0.975 128 Q CA 2.028 57.979 55.803 0.247 0.000 0.836 128 Q CB -0.606 28.289 28.738 0.262 0.000 0.896 128 Q HN 0.735 nan 8.270 nan 0.000 0.428 129 V N -1.685 118.337 119.914 0.181 0.000 2.594 129 V HA -0.131 3.989 4.120 -0.000 0.000 0.253 129 V C 2.090 178.318 176.094 0.223 0.000 1.069 129 V CA 1.633 64.073 62.300 0.232 0.000 1.082 129 V CB -1.083 30.782 31.823 0.070 0.000 0.680 129 V HN 0.273 nan 8.190 nan 0.000 0.469 130 A N 0.419 123.326 122.820 0.146 0.000 1.897 130 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 130 A C 2.345 180.023 177.584 0.156 0.000 1.181 130 A CA 1.651 53.764 52.037 0.127 0.000 0.620 130 A CB -0.467 18.588 19.000 0.092 0.000 0.821 130 A HN 0.693 nan 8.150 nan 0.000 0.443 131 E N -0.321 119.984 120.200 0.174 0.000 2.122 131 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 131 E C 1.894 178.582 176.600 0.145 0.000 0.977 131 E CA 0.458 56.962 56.400 0.172 0.000 0.820 131 E CB -0.126 29.711 29.700 0.228 0.000 0.770 131 E HN 0.584 nan 8.360 nan 0.000 0.462 132 L N -0.185 121.119 121.223 0.136 0.000 2.044 132 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 132 L C 2.241 179.112 176.870 0.001 0.000 1.075 132 L CA 0.924 55.783 54.840 0.031 0.000 0.747 132 L CB -0.326 41.716 42.059 -0.029 0.000 0.903 132 L HN 0.177 nan 8.230 nan 0.000 0.435 133 F N 0.019 119.969 119.950 -0.000 0.000 2.206 133 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 133 F C 2.424 178.199 175.800 -0.041 0.000 1.090 133 F CA 1.238 59.222 58.000 -0.026 0.000 1.323 133 F CB -0.867 38.118 39.000 -0.024 0.000 1.028 133 F HN -0.005 nan 8.300 nan 0.000 0.492 134 G N -0.376 108.521 108.800 0.161 0.000 2.433 134 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.216 134 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.216 134 G C 1.813 176.726 174.900 0.022 0.000 1.186 134 G CA 1.234 46.379 45.100 0.076 0.000 0.779 134 G HN 0.426 nan 8.290 nan 0.000 0.543 135 S N 0.615 116.335 115.700 0.033 0.000 2.387 135 S HA -0.048 4.422 4.470 -0.000 0.000 0.226 135 S C 1.964 176.545 174.600 -0.030 0.000 1.026 135 S CA 1.248 59.455 58.200 0.011 0.000 0.972 135 S CB -0.275 62.952 63.200 0.046 0.000 0.814 135 S HN 0.352 nan 8.310 nan 0.000 0.477 136 N N 1.311 119.976 118.700 -0.058 0.000 2.424 136 N HA 0.317 5.057 4.740 -0.000 0.000 0.178 136 N C 1.302 176.723 175.510 -0.148 0.000 1.060 136 N CA 1.042 54.023 53.050 -0.116 0.000 0.901 136 N CB 0.316 38.692 38.487 -0.185 0.000 0.979 136 N HN 0.630 nan 8.380 nan 0.000 0.451 137 A N -0.212 122.531 122.820 -0.127 0.000 1.803 137 A HA 0.186 4.506 4.320 -0.000 0.000 0.202 137 A C 2.024 179.524 177.584 -0.139 0.000 1.802 137 A CA 0.041 52.007 52.037 -0.118 0.000 1.096 137 A CB -0.315 18.630 19.000 -0.092 0.000 1.046 137 A HN -0.059 nan 8.150 nan 0.000 0.568 138 V N 1.306 121.135 119.914 -0.141 0.000 2.255 138 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 138 V C 3.039 178.848 176.094 -0.474 0.000 1.051 138 V CA 2.406 64.494 62.300 -0.352 0.000 1.018 138 V CB -1.503 30.150 31.823 -0.284 0.000 0.641 138 V HN 0.610 nan 8.190 nan 0.000 0.445 139 A N 0.725 123.414 122.820 -0.218 0.000 1.859 139 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 139 A C 0.672 178.200 177.584 -0.094 0.000 1.198 139 A CA 2.411 54.390 52.037 -0.096 0.000 0.629 139 A CB -2.097 16.888 19.000 -0.025 0.000 0.830 139 A HN 0.527 nan 8.150 nan 0.000 0.446 140 P HA -0.192 nan 4.420 nan 0.000 0.216 140 P C 1.695 178.951 177.300 -0.074 0.000 1.154 140 P CA 1.325 64.371 63.100 -0.089 0.000 0.865 140 P CB -0.128 31.510 31.700 -0.104 0.000 0.789 141 L N -1.658 119.480 121.223 -0.142 0.000 2.012 141 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 141 L C 2.053 178.960 176.870 0.062 0.000 1.073 141 L CA 2.079 56.853 54.840 -0.109 0.000 0.748 141 L CB -1.406 40.507 42.059 -0.244 0.000 0.891 141 L HN -0.147 nan 8.230 nan 0.000 0.431 142 F N -1.067 118.898 119.950 0.025 0.000 2.206 142 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 142 F C 2.215 178.045 175.800 0.050 0.000 1.090 142 F CA 0.438 58.460 58.000 0.037 0.000 1.323 142 F CB -1.118 37.902 39.000 0.034 0.000 1.028 142 F HN 0.044 nan 8.300 nan 0.000 0.492 143 L N 0.081 121.433 121.223 0.215 0.000 1.994 143 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 143 L C 2.499 179.471 176.870 0.170 0.000 1.071 143 L CA 1.566 56.498 54.840 0.153 0.000 0.745 143 L CB -1.516 40.578 42.059 0.058 0.000 0.892 143 L HN 0.116 nan 8.230 nan 0.000 0.431 144 I N -0.732 119.900 120.570 0.103 0.000 2.208 144 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 144 I C 2.795 179.034 176.117 0.202 0.000 1.097 144 I CA 1.210 62.571 61.300 0.101 0.000 1.363 144 I CB -0.290 37.723 38.000 0.021 0.000 1.051 144 I HN 0.286 nan 8.210 nan 0.000 0.413 145 R N 1.074 121.685 120.500 0.185 0.000 2.081 145 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 145 R C 2.361 178.765 176.300 0.174 0.000 1.131 145 R CA 1.639 57.845 56.100 0.177 0.000 0.960 145 R CB -0.230 30.188 30.300 0.198 0.000 0.856 145 R HN 0.361 nan 8.270 nan 0.000 0.436 146 A N 0.162 123.097 122.820 0.192 0.000 1.898 146 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 146 A C 1.982 179.695 177.584 0.216 0.000 1.181 146 A CA 1.154 53.291 52.037 0.167 0.000 0.620 146 A CB -0.761 18.337 19.000 0.165 0.000 0.819 146 A HN 0.542 nan 8.150 nan 0.000 0.442 147 F N 1.035 121.057 119.950 0.120 0.000 2.216 147 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 147 F C 2.297 178.176 175.800 0.132 0.000 1.085 147 F CA 1.147 59.233 58.000 0.144 0.000 1.326 147 F CB -0.222 38.837 39.000 0.099 0.000 1.027 147 F HN 0.230 nan 8.300 nan 0.000 0.497 148 A N 0.546 123.547 122.820 0.302 0.000 1.935 148 A HA -0.012 4.307 4.320 -0.000 0.000 0.214 148 A C 2.313 179.926 177.584 0.049 0.000 1.178 148 A CA 0.854 52.995 52.037 0.174 0.000 0.640 148 A CB -0.525 18.602 19.000 0.212 0.000 0.825 148 A HN 0.389 nan 8.150 nan 0.000 0.447 149 R N -0.335 120.197 120.500 0.053 0.000 2.096 149 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 149 R C 1.692 177.965 176.300 -0.046 0.000 1.127 149 R CA 1.232 57.337 56.100 0.009 0.000 0.968 149 R CB -0.210 30.099 30.300 0.014 0.000 0.861 149 R HN 0.388 nan 8.270 nan 0.000 0.440 150 R N 0.462 120.920 120.500 -0.070 0.000 2.320 150 R HA 0.062 4.402 4.340 -0.000 0.000 0.211 150 R C 0.400 176.595 176.300 -0.176 0.000 0.931 150 R CA 0.123 56.110 56.100 -0.188 0.000 1.071 150 R CB 0.236 30.372 30.300 -0.273 0.000 1.025 150 R HN 0.170 nan 8.270 nan 0.000 0.495 162 L N 1.601 122.912 121.223 0.146 0.000 2.290 162 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 162 L C 0.487 177.461 176.870 0.173 0.000 1.078 162 L CA -0.391 54.591 54.840 0.237 0.000 0.815 162 L CB 1.156 43.391 42.059 0.293 0.000 1.162 162 L HN 0.585 nan 8.230 nan 0.000 0.435 163 S N 2.374 118.139 115.700 0.108 0.000 2.570 163 S HA 0.776 5.246 4.470 -0.000 0.000 0.270 163 S C -1.037 173.443 174.600 -0.200 0.000 1.149 163 S CA -0.785 57.394 58.200 -0.035 0.000 0.837 163 S CB 2.173 65.345 63.200 -0.046 0.000 1.124 163 S HN 0.183 nan 8.310 nan 0.000 0.465 164 V N 1.511 121.288 119.914 -0.227 0.000 2.628 164 V HA 0.727 4.847 4.120 -0.000 0.000 0.306 164 V C -0.845 175.134 176.094 -0.192 0.000 1.045 164 V CA -0.667 61.455 62.300 -0.298 0.000 0.905 164 V CB 1.771 33.403 31.823 -0.319 0.000 0.997 164 V HN 0.854 nan 8.190 nan 0.000 0.436 165 V N 4.105 123.909 119.914 -0.183 0.000 2.409 165 V HA 0.457 4.577 4.120 -0.000 0.000 0.290 165 V C -0.462 175.557 176.094 -0.124 0.000 1.017 165 V CA -0.796 61.423 62.300 -0.135 0.000 0.841 165 V CB 1.698 33.447 31.823 -0.123 0.000 1.003 165 V HN 0.857 nan 8.190 nan 0.000 0.426 166 N N 4.324 122.959 118.700 -0.109 0.000 2.479 166 N HA 0.431 5.171 4.740 -0.000 0.000 0.285 166 N C -0.820 174.636 175.510 -0.089 0.000 1.075 166 N CA -0.565 52.423 53.050 -0.103 0.000 0.967 166 N CB 2.219 40.644 38.487 -0.104 0.000 1.137 166 N HN 0.389 nan 8.380 nan 0.000 0.472 167 L N 2.274 123.447 121.223 -0.083 0.000 2.283 167 L HA 0.274 4.614 4.340 -0.000 0.000 0.287 167 L C 0.597 177.417 176.870 -0.084 0.000 1.073 167 L CA -0.127 54.669 54.840 -0.072 0.000 0.822 167 L CB 0.135 42.159 42.059 -0.058 0.000 1.186 167 L HN 0.540 nan 8.230 nan 0.000 0.436 168 C N 2.554 121.802 119.300 -0.088 0.000 2.566 168 C HA 0.514 4.974 4.460 -0.000 0.000 0.401 168 C C 0.335 175.268 174.990 -0.095 0.000 2.232 168 C CA -0.444 58.507 59.018 -0.113 0.000 1.808 168 C CB 1.886 29.553 27.740 -0.122 0.000 2.068 168 C HN 0.761 nan 8.230 nan 0.000 0.441 169 D N -0.304 120.029 120.400 -0.112 0.000 2.602 169 D HA 0.512 5.152 4.640 -0.000 0.000 0.245 169 D C -0.233 176.018 176.300 -0.083 0.000 1.325 169 D CA -0.042 53.914 54.000 -0.072 0.000 0.952 169 D CB 1.368 42.153 40.800 -0.025 0.000 1.317 169 D HN 0.737 nan 8.370 nan 0.000 0.577 173 D N 1.355 121.779 120.400 0.041 0.000 2.323 173 D HA 0.199 4.839 4.640 -0.000 0.000 0.209 173 D C 0.579 176.921 176.300 0.069 0.000 0.973 173 D CA 0.645 54.692 54.000 0.079 0.000 0.874 173 D CB 0.569 41.386 40.800 0.030 0.000 0.930 173 D HN 0.461 nan 8.370 nan 0.000 0.521 174 L N 2.178 123.431 121.223 0.051 0.000 2.581 174 L HA 0.309 4.649 4.340 -0.000 0.000 0.241 174 L C -2.383 174.518 176.870 0.052 0.000 1.265 174 L CA -1.613 53.250 54.840 0.038 0.000 0.954 174 L CB 1.092 43.160 42.059 0.015 0.000 1.269 174 L HN -0.372 nan 8.230 nan 0.000 0.475 175 P HA -0.132 nan 4.420 nan 0.000 0.257 175 P C -0.262 177.091 177.300 0.089 0.000 1.153 175 P CA -0.027 63.135 63.100 0.103 0.000 0.762 175 P CB 0.323 32.083 31.700 0.099 0.000 0.743 176 L N 7.817 129.096 121.223 0.094 0.000 2.418 176 L HA 0.267 4.607 4.340 -0.000 0.000 0.274 176 L C -2.112 174.862 176.870 0.173 0.000 1.135 176 L CA -1.880 52.991 54.840 0.051 0.000 0.870 176 L CB -0.262 41.714 42.059 -0.138 0.000 1.154 176 L HN 0.287 nan 8.230 nan 0.000 0.462 177 P HA 0.214 nan 4.420 nan 0.000 0.260 177 P C 0.585 178.042 177.300 0.262 0.000 1.185 177 P CA 0.963 64.162 63.100 0.165 0.000 0.763 177 P CB 0.497 32.260 31.700 0.105 0.000 0.776 178 G N 2.150 111.072 108.800 0.204 0.000 2.194 178 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 178 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 178 G C 0.247 175.146 174.900 -0.002 0.000 0.987 178 G CA -0.523 44.639 45.100 0.105 0.000 0.635 178 G HN 0.428 nan 8.290 nan 0.000 0.520 179 F N 0.865 120.835 119.950 0.033 0.000 2.923 179 F HA 0.429 4.956 4.527 -0.000 0.000 0.314 179 F C 2.083 177.946 175.800 0.106 0.000 1.196 179 F CA -0.399 57.629 58.000 0.047 0.000 1.320 179 F CB -0.435 38.596 39.000 0.052 0.000 0.953 179 F HN 0.229 nan 8.300 nan 0.000 0.505 180 C N -0.134 119.272 119.300 0.177 0.000 2.363 180 C HA -0.215 4.245 4.460 -0.000 0.000 0.274 180 C C 2.726 177.795 174.990 0.133 0.000 1.183 180 C CA 1.944 61.043 59.018 0.136 0.000 1.771 180 C CB -0.711 27.082 27.740 0.088 0.000 2.059 180 C HN 0.422 nan 8.230 nan 0.000 0.455 181 V N -0.442 119.546 119.914 0.124 0.000 2.307 181 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 181 V C 2.033 178.132 176.094 0.009 0.000 1.045 181 V CA 2.327 64.707 62.300 0.135 0.000 1.024 181 V CB -1.229 30.692 31.823 0.164 0.000 0.651 181 V HN 0.700 nan 8.190 nan 0.000 0.449 182 Y N 1.769 122.037 120.300 -0.055 0.000 2.165 182 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 182 Y C 1.734 177.615 175.900 -0.031 0.000 1.155 182 Y CA 1.549 59.616 58.100 -0.054 0.000 1.164 182 Y CB -0.694 37.840 38.460 0.123 0.000 0.978 182 Y HN 0.245 nan 8.280 nan 0.000 0.513 186 K N 0.757 120.864 120.400 -0.488 0.000 2.097 186 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 186 K C 1.638 178.071 176.600 -0.279 0.000 1.050 186 K CA 1.560 57.600 56.287 -0.412 0.000 0.938 186 K CB -0.563 31.608 32.500 -0.548 0.000 0.718 186 K HN 0.717 nan 8.250 nan 0.000 0.442 187 H N 0.440 119.376 119.070 -0.223 0.000 2.352 187 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 187 H C 1.925 177.189 175.328 -0.107 0.000 1.097 187 H CA 1.586 57.556 56.048 -0.131 0.000 1.311 187 H CB 0.144 29.852 29.762 -0.091 0.000 1.377 187 H HN 0.206 nan 8.280 nan 0.000 0.504 188 A N 1.000 123.820 122.820 -0.000 0.000 1.933 188 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 188 A C 2.469 180.017 177.584 -0.060 0.000 1.175 188 A CA 1.105 53.136 52.037 -0.009 0.000 0.628 188 A CB -0.663 18.344 19.000 0.013 0.000 0.814 188 A HN 0.286 nan 8.150 nan 0.000 0.444 189 L N 0.145 121.297 121.223 -0.119 0.000 2.083 189 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 189 L C 2.350 179.157 176.870 -0.106 0.000 1.083 189 L CA 2.162 56.928 54.840 -0.124 0.000 0.752 189 L CB -1.015 40.947 42.059 -0.162 0.000 0.899 189 L HN 0.299 nan 8.230 nan 0.000 0.433 190 G N -1.190 107.541 108.800 -0.115 0.000 2.402 190 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 190 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 190 G C 1.526 176.390 174.900 -0.059 0.000 1.162 190 G CA 0.528 45.569 45.100 -0.099 0.000 0.777 190 G HN 0.572 nan 8.290 nan 0.000 0.539 191 G N 0.788 109.566 108.800 -0.036 0.000 2.422 191 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 191 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 191 G C 1.739 176.623 174.900 -0.027 0.000 1.146 191 G CA 1.035 46.124 45.100 -0.018 0.000 0.769 191 G HN 0.408 nan 8.290 nan 0.000 0.547 192 L N 1.087 122.287 121.223 -0.038 0.000 2.046 192 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 192 L C 2.847 179.690 176.870 -0.045 0.000 1.077 192 L CA 2.547 57.363 54.840 -0.041 0.000 0.747 192 L CB -1.044 40.981 42.059 -0.056 0.000 0.896 192 L HN 0.174 nan 8.230 nan 0.000 0.432 193 T N -0.168 114.352 114.554 -0.057 0.000 2.684 193 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 193 T C 1.982 176.653 174.700 -0.048 0.000 1.036 193 T CA 1.872 63.937 62.100 -0.059 0.000 1.148 193 T CB -0.194 68.634 68.868 -0.067 0.000 0.863 193 T HN 0.402 nan 8.240 nan 0.000 0.436 194 R N 0.718 121.194 120.500 -0.040 0.000 2.093 194 R HA 0.195 4.535 4.340 -0.000 0.000 0.224 194 R C 2.854 179.137 176.300 -0.028 0.000 1.101 194 R CA 0.984 57.063 56.100 -0.034 0.000 0.979 194 R CB -0.402 29.882 30.300 -0.028 0.000 0.877 194 R HN 0.344 nan 8.270 nan 0.000 0.441 195 A N 1.728 124.535 122.820 -0.022 0.000 1.858 195 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 195 A C 2.428 180.004 177.584 -0.014 0.000 1.190 195 A CA 1.747 53.775 52.037 -0.015 0.000 0.617 195 A CB -0.779 18.216 19.000 -0.009 0.000 0.827 195 A HN 0.362 nan 8.150 nan 0.000 0.443 196 A N -0.141 122.669 122.820 -0.017 0.000 1.883 196 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 196 A C 2.537 180.110 177.584 -0.018 0.000 1.186 196 A CA 2.415 54.445 52.037 -0.011 0.000 0.624 196 A CB -1.175 17.814 19.000 -0.018 0.000 0.822 196 A HN 1.184 nan 8.150 nan 0.000 0.444 197 A N -0.615 122.185 122.820 -0.032 0.000 1.917 197 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 197 A C 2.173 179.731 177.584 -0.044 0.000 1.182 197 A CA 1.955 53.967 52.037 -0.042 0.000 0.633 197 A CB -0.627 18.343 19.000 -0.050 0.000 0.819 197 A HN 0.738 nan 8.150 nan 0.000 0.448 198 L N -0.222 120.979 121.223 -0.037 0.000 2.044 198 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 198 L C 2.157 179.007 176.870 -0.032 0.000 1.075 198 L CA 2.268 57.086 54.840 -0.038 0.000 0.747 198 L CB -0.648 41.393 42.059 -0.030 0.000 0.903 198 L HN 0.489 nan 8.230 nan 0.000 0.435 199 E N -0.878 119.311 120.200 -0.018 0.000 2.204 199 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 199 E C 1.577 178.174 176.600 -0.007 0.000 0.989 199 E CA 0.691 57.086 56.400 -0.009 0.000 0.824 199 E CB 0.033 29.736 29.700 0.005 0.000 0.756 199 E HN 0.304 nan 8.360 nan 0.000 0.477 200 L N -0.393 120.827 121.223 -0.006 0.000 2.607 200 L HA 0.174 4.514 4.340 -0.000 0.000 0.228 200 L C 1.842 178.695 176.870 -0.029 0.000 1.123 200 L CA 0.338 55.182 54.840 0.006 0.000 0.890 200 L CB -0.294 41.789 42.059 0.040 0.000 1.103 200 L HN -0.030 nan 8.230 nan 0.000 0.468 201 A N 0.807 123.589 122.820 -0.064 0.000 1.883 201 A HA -0.097 4.222 4.320 -0.000 0.000 0.217 201 A C -0.022 177.440 177.584 -0.203 0.000 1.186 201 A CA 1.626 53.592 52.037 -0.119 0.000 0.624 201 A CB -1.623 17.307 19.000 -0.117 0.000 0.822 201 A HN 0.306 nan 8.150 nan 0.000 0.444 202 P HA -0.104 nan 4.420 nan 0.000 0.222 202 P C 0.944 178.127 177.300 -0.195 0.000 1.147 202 P CA 0.798 63.784 63.100 -0.189 0.000 0.790 202 P CB 0.035 31.685 31.700 -0.082 0.000 0.780 203 R N -1.885 118.566 120.500 -0.083 0.000 2.334 203 R HA 0.103 4.443 4.340 -0.000 0.000 0.220 203 R C -0.014 176.374 176.300 0.146 0.000 0.917 203 R CA -0.057 56.076 56.100 0.055 0.000 1.073 203 R CB -1.354 28.987 30.300 0.069 0.000 1.056 203 R HN 0.353 nan 8.270 nan 0.000 0.506 204 H N -0.475 118.612 119.070 0.028 0.000 2.820 204 H HA -0.140 4.415 4.556 -0.000 0.000 0.295 204 H C -0.463 174.895 175.328 0.050 0.000 1.187 204 H CA 0.708 56.773 56.048 0.029 0.000 1.144 204 H CB -1.832 27.947 29.762 0.030 0.000 1.354 204 H HN 0.204 nan 8.280 nan 0.000 0.395 205 I N 0.934 121.575 120.570 0.118 0.000 2.362 205 I HA 0.282 4.451 4.170 -0.000 0.000 0.289 205 I C 0.497 176.646 176.117 0.052 0.000 0.994 205 I CA -0.554 60.828 61.300 0.135 0.000 1.158 205 I CB 1.394 39.518 38.000 0.207 0.000 1.315 205 I HN 0.101 nan 8.210 nan 0.000 0.451 206 R N 4.873 125.390 120.500 0.028 0.000 2.404 206 R HA 0.657 4.997 4.340 -0.000 0.000 0.291 206 R C -1.085 175.185 176.300 -0.051 0.000 1.025 206 R CA -0.672 55.413 56.100 -0.026 0.000 0.991 206 R CB 1.816 32.094 30.300 -0.037 0.000 1.053 206 R HN 0.328 nan 8.270 nan 0.000 0.479 207 V N 3.728 123.604 119.914 -0.064 0.000 2.447 207 V HA 0.344 4.464 4.120 -0.000 0.000 0.292 207 V C -0.491 175.557 176.094 -0.076 0.000 1.021 207 V CA -0.861 61.391 62.300 -0.081 0.000 0.850 207 V CB 1.330 33.111 31.823 -0.069 0.000 1.005 207 V HN 0.797 nan 8.190 nan 0.000 0.426 208 N N 2.170 120.821 118.700 -0.083 0.000 3.038 208 N HA 0.920 5.660 4.740 -0.000 0.000 0.307 208 N C -0.709 174.759 175.510 -0.070 0.000 1.441 208 N CA -0.461 52.549 53.050 -0.067 0.000 0.772 208 N CB 2.573 41.026 38.487 -0.058 0.000 1.651 208 N HN 0.758 nan 8.380 nan 0.000 0.593 209 A N -0.036 122.751 122.820 -0.055 0.000 2.572 209 A HA 0.659 4.979 4.320 -0.000 0.000 0.295 209 A C -1.413 176.146 177.584 -0.040 0.000 1.072 209 A CA -0.484 51.517 52.037 -0.059 0.000 0.691 209 A CB 1.246 20.204 19.000 -0.070 0.000 1.291 209 A HN 0.255 nan 8.150 nan 0.000 0.404 210 V N 0.679 120.567 119.914 -0.044 0.000 2.555 210 V HA 0.738 4.858 4.120 -0.000 0.000 0.302 210 V C 0.190 176.258 176.094 -0.044 0.000 1.038 210 V CA 0.008 62.291 62.300 -0.029 0.000 0.887 210 V CB 1.704 33.515 31.823 -0.021 0.000 0.991 210 V HN 1.502 nan 8.190 nan 0.000 0.434 211 A N 7.128 129.923 122.820 -0.041 0.000 2.431 211 A HA 0.834 5.154 4.320 -0.000 0.000 0.318 211 A C -2.852 174.706 177.584 -0.043 0.000 1.330 211 A CA -1.583 50.423 52.037 -0.051 0.000 0.804 211 A CB 0.857 19.821 19.000 -0.061 0.000 1.135 211 A HN 0.601 nan 8.150 nan 0.000 0.483 212 P HA 0.387 nan 4.420 nan 0.000 0.274 212 P C 0.940 178.216 177.300 -0.040 0.000 1.246 212 P CA 0.141 63.218 63.100 -0.039 0.000 0.795 212 P CB 1.414 33.088 31.700 -0.043 0.000 1.006 213 G N 0.212 108.992 108.800 -0.033 0.000 2.687 213 G HA2 0.249 4.209 3.960 -0.000 0.000 0.222 213 G HA3 0.249 4.209 3.960 -0.000 0.000 0.222 213 G C -0.733 174.151 174.900 -0.027 0.000 1.445 213 G CA 0.335 45.418 45.100 -0.029 0.000 0.836 213 G HN 0.451 nan 8.290 nan 0.000 0.598 214 L N 1.399 122.614 121.223 -0.014 0.000 2.345 214 L HA 0.752 5.092 4.340 -0.000 0.000 0.274 214 L C -0.067 176.798 176.870 -0.008 0.000 0.999 214 L CA -0.376 54.466 54.840 0.003 0.000 0.849 214 L CB 1.576 43.657 42.059 0.037 0.000 1.220 214 L HN 0.254 nan 8.230 nan 0.000 0.422 215 S N 3.772 119.456 115.700 -0.026 0.000 3.012 215 S HA 0.611 5.081 4.470 -0.000 0.000 0.254 215 S C -0.312 174.269 174.600 -0.031 0.000 1.030 215 S CA -0.791 57.393 58.200 -0.028 0.000 1.053 215 S CB 0.339 63.517 63.200 -0.037 0.000 1.286 215 S HN 0.561 nan 8.310 nan 0.000 0.633 216 L N 2.759 123.962 121.223 -0.033 0.000 2.700 216 L HA 0.032 4.371 4.340 -0.000 0.000 0.276 216 L C -0.129 176.711 176.870 -0.050 0.000 1.200 216 L CA 0.040 54.859 54.840 -0.034 0.000 0.951 216 L CB -0.700 41.342 42.059 -0.027 0.000 1.226 216 L HN 0.473 nan 8.230 nan 0.000 0.489 217 L N 5.531 126.720 121.223 -0.057 0.000 2.472 217 L HA 0.213 4.553 4.340 -0.000 0.000 0.260 217 L C -1.743 175.086 176.870 -0.068 0.000 1.209 217 L CA -1.710 53.077 54.840 -0.089 0.000 0.817 217 L CB -0.009 41.972 42.059 -0.130 0.000 1.106 217 L HN 0.400 nan 8.230 nan 0.000 0.479 218 P HA 0.026 nan 4.420 nan 0.000 0.267 218 P C -1.789 175.491 177.300 -0.034 0.000 1.209 218 P CA -0.823 62.263 63.100 -0.024 0.000 0.763 218 P CB 0.138 31.836 31.700 -0.003 0.000 0.816 219 P HA -0.171 nan 4.420 nan 0.000 0.217 219 P C 0.438 177.726 177.300 -0.020 0.000 1.148 219 P CA 1.248 64.337 63.100 -0.019 0.000 0.828 219 P CB 0.107 31.801 31.700 -0.010 0.000 0.783 223 Q N 0.208 119.996 119.800 -0.019 0.000 2.118 223 Q HA -0.243 4.096 4.340 -0.000 0.000 0.211 223 Q C 1.472 177.472 176.000 0.000 0.000 0.998 223 Q CA 1.803 57.598 55.803 -0.013 0.000 0.872 223 Q CB 0.116 28.850 28.738 -0.007 0.000 0.925 223 Q HN 0.456 nan 8.270 nan 0.000 0.414 224 E N -0.219 119.987 120.200 0.010 0.000 2.110 224 E HA -0.137 4.212 4.350 -0.000 0.000 0.193 224 E C 1.978 178.607 176.600 0.048 0.000 0.988 224 E CA 1.390 57.805 56.400 0.026 0.000 0.804 224 E CB -0.096 29.619 29.700 0.025 0.000 0.745 224 E HN 0.362 nan 8.360 nan 0.000 0.458 225 T N 1.130 115.707 114.554 0.039 0.000 2.737 225 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 225 T C 1.900 176.646 174.700 0.076 0.000 1.038 225 T CA 1.200 63.349 62.100 0.080 0.000 1.144 225 T CB -0.158 68.717 68.868 0.012 0.000 0.866 225 T HN 0.257 nan 8.240 nan 0.000 0.434 226 Q N 0.403 120.176 119.800 -0.044 0.000 2.112 226 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 226 Q C 2.414 178.449 176.000 0.057 0.000 0.987 226 Q CA 1.437 57.201 55.803 -0.065 0.000 0.858 226 Q CB -0.180 28.516 28.738 -0.069 0.000 0.905 226 Q HN 0.371 nan 8.270 nan 0.000 0.420 227 E N 1.090 121.326 120.200 0.059 0.000 2.106 227 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 227 E C 1.475 178.133 176.600 0.097 0.000 0.984 227 E CA 1.195 57.634 56.400 0.064 0.000 0.806 227 E CB 0.095 29.819 29.700 0.041 0.000 0.750 227 E HN 0.350 nan 8.360 nan 0.000 0.458 228 E N -1.116 119.166 120.200 0.137 0.000 2.153 228 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 228 E C 1.730 178.415 176.600 0.142 0.000 0.988 228 E CA 0.926 57.402 56.400 0.128 0.000 0.811 228 E CB -0.201 29.582 29.700 0.139 0.000 0.746 228 E HN 0.365 nan 8.360 nan 0.000 0.466 229 Y N 0.967 121.266 120.300 -0.002 0.000 2.220 229 Y HA -0.066 4.484 4.550 -0.000 0.000 0.291 229 Y C 2.346 178.240 175.900 -0.009 0.000 1.129 229 Y CA 0.917 59.014 58.100 -0.007 0.000 1.161 229 Y CB -0.151 38.305 38.460 -0.008 0.000 0.997 229 Y HN -0.091 nan 8.280 nan 0.000 0.522 230 R N -0.280 120.316 120.500 0.161 0.000 2.081 230 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 230 R C 2.262 178.589 176.300 0.045 0.000 1.131 230 R CA 1.437 57.584 56.100 0.080 0.000 0.960 230 R CB -0.394 29.939 30.300 0.055 0.000 0.856 230 R HN 0.170 nan 8.270 nan 0.000 0.436 231 R N 1.187 121.712 120.500 0.041 0.000 2.170 231 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 231 R C 1.834 178.135 176.300 0.003 0.000 1.145 231 R CA 1.464 57.575 56.100 0.018 0.000 0.984 231 R CB 0.009 30.319 30.300 0.017 0.000 0.869 231 R HN 0.153 nan 8.270 nan 0.000 0.455 232 K N -0.495 119.902 120.400 -0.006 0.000 2.365 232 K HA 0.025 4.344 4.320 -0.000 0.000 0.199 232 K C -0.109 176.481 176.600 -0.017 0.000 1.045 232 K CA 0.355 56.627 56.287 -0.025 0.000 0.962 232 K CB 0.385 32.849 32.500 -0.060 0.000 0.759 232 K HN -0.024 nan 8.250 nan 0.000 0.469 233 V N 3.324 123.236 119.914 -0.004 0.000 2.421 233 V HA 0.009 4.129 4.120 -0.000 0.000 0.271 233 V C -1.631 174.460 176.094 -0.006 0.000 1.031 233 V CA -0.957 61.341 62.300 -0.004 0.000 1.032 233 V CB 0.824 32.650 31.823 0.004 0.000 1.009 233 V HN 0.048 nan 8.190 nan 0.000 0.477 234 P HA -0.149 nan 4.420 nan 0.000 0.215 234 P C 0.554 177.849 177.300 -0.008 0.000 1.157 234 P CA 0.820 63.914 63.100 -0.010 0.000 0.874 234 P CB 0.161 31.854 31.700 -0.012 0.000 0.790 235 L N -0.541 120.677 121.223 -0.008 0.000 2.356 235 L HA 0.449 4.789 4.340 -0.000 0.000 0.282 235 L C 1.144 178.010 176.870 -0.006 0.000 1.132 235 L CA 0.471 55.306 54.840 -0.008 0.000 0.923 235 L CB -1.059 40.993 42.059 -0.011 0.000 1.278 235 L HN 0.325 nan 8.230 nan 0.000 0.436 236 G N 2.685 111.482 108.800 -0.004 0.000 2.199 236 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 236 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 236 G C 0.470 175.370 174.900 0.001 0.000 0.982 236 G CA 0.219 45.317 45.100 -0.002 0.000 0.632 236 G HN 0.659 nan 8.290 nan 0.000 0.529 237 Q N -0.996 118.805 119.800 0.002 0.000 2.451 237 Q HA -0.041 4.299 4.340 -0.000 0.000 0.305 237 Q C 0.205 176.212 176.000 0.011 0.000 1.345 237 Q CA 1.634 57.441 55.803 0.007 0.000 0.854 237 Q CB -1.788 26.954 28.738 0.007 0.000 1.162 237 Q HN 1.557 nan 8.270 nan 0.000 0.440 238 S N -0.687 115.019 115.700 0.010 0.000 2.541 238 S HA 0.522 4.992 4.470 -0.000 0.000 0.271 238 S C -0.828 173.779 174.600 0.011 0.000 1.133 238 S CA -0.772 57.435 58.200 0.011 0.000 0.876 238 S CB 1.137 64.340 63.200 0.006 0.000 1.105 238 S HN 0.311 nan 8.310 nan 0.000 0.470 239 E N 2.580 122.787 120.200 0.013 0.000 2.371 239 E HA 0.499 4.849 4.350 -0.000 0.000 0.257 239 E C -0.006 176.594 176.600 0.000 0.000 1.134 239 E CA -0.568 55.838 56.400 0.009 0.000 0.919 239 E CB 0.803 30.508 29.700 0.009 0.000 1.025 239 E HN 0.645 nan 8.360 nan 0.000 0.438 240 A N 1.932 124.749 122.820 -0.005 0.000 2.409 240 A HA 0.272 4.592 4.320 -0.000 0.000 0.262 240 A C 0.563 178.142 177.584 -0.007 0.000 1.113 240 A CA -0.007 52.026 52.037 -0.008 0.000 0.790 240 A CB -0.058 18.934 19.000 -0.012 0.000 1.046 240 A HN 0.703 nan 8.150 nan 0.000 0.496 241 S N 2.150 117.847 115.700 -0.004 0.000 2.600 241 S HA 0.422 4.892 4.470 -0.000 0.000 0.265 241 S C 1.301 175.901 174.600 0.001 0.000 1.325 241 S CA -0.061 58.139 58.200 -0.001 0.000 1.002 241 S CB 1.040 64.242 63.200 0.002 0.000 0.921 241 S HN 1.581 nan 8.310 nan 0.000 0.554 242 A N 1.886 124.710 122.820 0.007 0.000 1.972 242 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 242 A C 2.396 179.987 177.584 0.012 0.000 1.169 242 A CA 1.648 53.692 52.037 0.012 0.000 0.635 242 A CB -1.647 17.369 19.000 0.028 0.000 0.810 242 A HN 1.352 nan 8.150 nan 0.000 0.446 243 A N -0.431 122.397 122.820 0.014 0.000 1.877 243 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 243 A C 2.090 179.678 177.584 0.007 0.000 1.186 243 A CA 1.671 53.715 52.037 0.012 0.000 0.620 243 A CB -0.652 18.357 19.000 0.014 0.000 0.822 243 A HN 0.637 nan 8.150 nan 0.000 0.443 244 Q N -0.737 119.065 119.800 0.003 0.000 2.181 244 Q HA -0.151 4.188 4.340 -0.000 0.000 0.205 244 Q C 1.899 177.898 176.000 -0.001 0.000 0.980 244 Q CA 1.271 57.074 55.803 -0.001 0.000 0.862 244 Q CB -0.271 28.464 28.738 -0.006 0.000 0.905 244 Q HN 0.619 nan 8.270 nan 0.000 0.429 245 I N 0.176 120.745 120.570 -0.002 0.000 2.333 245 I HA -0.128 4.042 4.170 -0.000 0.000 0.246 245 I C 2.275 178.392 176.117 -0.000 0.000 1.106 245 I CA 0.998 62.295 61.300 -0.004 0.000 1.411 245 I CB -1.444 36.550 38.000 -0.010 0.000 1.082 245 I HN 0.089 nan 8.210 nan 0.000 0.420 246 A N 0.625 123.445 122.820 0.001 0.000 1.972 246 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 246 A C 1.961 179.553 177.584 0.013 0.000 1.169 246 A CA 1.625 53.661 52.037 -0.002 0.000 0.635 246 A CB -0.516 18.482 19.000 -0.004 0.000 0.810 246 A HN 0.350 nan 8.150 nan 0.000 0.446 247 D N 0.346 120.758 120.400 0.021 0.000 2.092 247 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 247 D C 2.286 178.631 176.300 0.075 0.000 0.994 247 D CA 1.693 55.716 54.000 0.039 0.000 0.828 247 D CB -0.468 40.344 40.800 0.021 0.000 0.963 247 D HN 0.424 nan 8.370 nan 0.000 0.450 248 A N 0.812 123.667 122.820 0.060 0.000 1.902 248 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 248 A C 2.413 180.072 177.584 0.124 0.000 1.181 248 A CA 1.014 53.112 52.037 0.103 0.000 0.623 248 A CB -0.706 18.326 19.000 0.052 0.000 0.818 248 A HN 0.213 nan 8.150 nan 0.000 0.443 249 I N -0.379 120.220 120.570 0.048 0.000 2.252 249 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 249 I C 2.955 179.066 176.117 -0.009 0.000 1.102 249 I CA 0.958 62.257 61.300 -0.000 0.000 1.385 249 I CB -0.406 37.570 38.000 -0.040 0.000 1.064 249 I HN 0.338 nan 8.210 nan 0.000 0.414 250 A N 0.928 123.760 122.820 0.019 0.000 1.940 250 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 250 A C 2.243 179.861 177.584 0.058 0.000 1.176 250 A CA 1.569 53.619 52.037 0.022 0.000 0.631 250 A CB -0.959 18.071 19.000 0.049 0.000 0.814 250 A HN 0.474 nan 8.150 nan 0.000 0.446 251 F N 0.675 120.619 119.950 -0.010 0.000 2.102 251 F HA -0.121 4.406 4.527 0.000 0.000 0.298 251 F C 1.835 177.636 175.800 0.001 0.000 1.105 251 F CA 1.713 59.714 58.000 0.001 0.000 1.239 251 F CB -0.425 38.574 39.000 -0.002 0.000 0.991 251 F HN 0.130 nan 8.300 nan 0.000 0.474 252 L N 0.236 121.296 121.223 -0.272 0.000 2.191 252 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 252 L C 2.387 179.098 176.870 -0.266 0.000 1.103 252 L CA 1.182 55.813 54.840 -0.349 0.000 0.769 252 L CB -0.793 41.193 42.059 -0.122 0.000 0.908 252 L HN 0.301 nan 8.230 nan 0.000 0.438 253 V N -3.982 115.825 119.914 -0.178 0.000 2.788 253 V HA 0.028 4.147 4.120 -0.000 0.000 0.251 253 V C 1.603 177.655 176.094 -0.069 0.000 1.068 253 V CA 0.379 62.611 62.300 -0.114 0.000 1.090 253 V CB -0.658 31.090 31.823 -0.125 0.000 0.710 253 V HN 0.417 nan 8.190 nan 0.000 0.467 254 S N 0.763 116.399 115.700 -0.107 0.000 2.587 254 S HA 0.134 4.604 4.470 -0.000 0.000 0.260 254 S C 0.853 175.397 174.600 -0.093 0.000 1.353 254 S CA 0.108 58.274 58.200 -0.057 0.000 0.995 254 S CB 0.545 63.724 63.200 -0.034 0.000 0.912 254 S HN 0.526 nan 8.310 nan 0.000 0.568 255 K N 0.156 120.537 120.400 -0.032 0.000 2.439 255 K HA -0.022 4.298 4.320 -0.000 0.000 0.197 255 K C 0.609 177.192 176.600 -0.029 0.000 1.041 255 K CA 1.037 57.311 56.287 -0.022 0.000 0.970 255 K CB -0.279 32.223 32.500 0.003 0.000 0.773 255 K HN 0.596 nan 8.250 nan 0.000 0.479 256 D N 0.350 120.724 120.400 -0.043 0.000 2.378 256 D HA -0.036 4.604 4.640 -0.000 0.000 0.227 256 D C 0.592 176.848 176.300 -0.073 0.000 1.012 256 D CA 0.399 54.411 54.000 0.021 0.000 0.905 256 D CB 0.314 41.221 40.800 0.177 0.000 0.895 256 D HN 0.222 nan 8.370 nan 0.000 0.532 257 A N -0.695 121.976 122.820 -0.249 0.000 2.610 257 A HA 0.462 4.782 4.320 -0.000 0.000 0.291 257 A C 1.957 179.485 177.584 -0.094 0.000 1.116 257 A CA 0.084 51.951 52.037 -0.284 0.000 0.963 257 A CB 0.041 18.634 19.000 -0.679 0.000 1.220 257 A HN 0.168 nan 8.150 nan 0.000 0.530 258 G N -0.980 107.809 108.800 -0.018 0.000 2.499 258 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.221 258 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.221 258 G C 0.999 175.965 174.900 0.110 0.000 1.109 258 G CA 1.520 46.645 45.100 0.041 0.000 0.749 258 G HN 0.592 nan 8.290 nan 0.000 0.568 259 Y N 0.293 120.585 120.300 -0.014 0.000 2.507 259 Y HA 0.482 5.032 4.550 -0.000 0.000 0.254 259 Y C 0.588 176.485 175.900 -0.003 0.000 1.171 259 Y CA -1.185 56.916 58.100 0.001 0.000 1.238 259 Y CB 0.335 38.803 38.460 0.013 0.000 1.148 259 Y HN -0.026 nan 8.280 nan 0.000 0.525 260 I N 0.811 121.395 120.570 0.023 0.000 2.321 260 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 260 I C -0.007 176.067 176.117 -0.072 0.000 0.998 260 I CA -0.257 61.031 61.300 -0.019 0.000 1.227 260 I CB 1.491 39.498 38.000 0.011 0.000 1.368 260 I HN -0.083 nan 8.210 nan 0.000 0.466 261 T N 3.464 117.964 114.554 -0.089 0.000 3.012 261 T HA 0.529 4.879 4.350 -0.000 0.000 0.330 261 T C 0.339 174.996 174.700 -0.072 0.000 1.321 261 T CA 0.313 62.362 62.100 -0.086 0.000 1.067 261 T CB 1.447 70.252 68.868 -0.105 0.000 1.235 261 T HN 0.964 nan 8.240 nan 0.000 0.479 262 G N 2.340 111.104 108.800 -0.059 0.000 2.159 262 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.256 262 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.256 262 G C 0.299 175.176 174.900 -0.038 0.000 0.977 262 G CA 0.986 46.056 45.100 -0.050 0.000 0.652 262 G HN 1.478 nan 8.290 nan 0.000 0.531 263 T N -1.563 112.973 114.554 -0.031 0.000 2.929 263 T HA 0.687 5.036 4.350 -0.000 0.000 0.284 263 T C -0.108 174.581 174.700 -0.018 0.000 1.014 263 T CA 0.392 62.483 62.100 -0.015 0.000 1.051 263 T CB 2.287 71.160 68.868 0.008 0.000 1.028 263 T HN 0.336 nan 8.240 nan 0.000 0.485 264 T N 3.785 118.329 114.554 -0.016 0.000 2.770 264 T HA 0.473 4.823 4.350 -0.000 0.000 0.283 264 T C -0.746 173.950 174.700 -0.007 0.000 0.988 264 T CA -0.578 61.508 62.100 -0.023 0.000 0.957 264 T CB 0.849 69.692 68.868 -0.042 0.000 0.930 264 T HN 0.627 nan 8.240 nan 0.000 0.443 265 L N 4.482 125.707 121.223 0.003 0.000 2.255 265 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 265 L C 0.203 177.070 176.870 -0.005 0.000 1.046 265 L CA -0.381 54.469 54.840 0.017 0.000 0.816 265 L CB 0.436 42.529 42.059 0.056 0.000 1.197 265 L HN 0.468 nan 8.230 nan 0.000 0.427 266 K N 4.343 124.736 120.400 -0.012 0.000 2.234 266 K HA 0.497 4.817 4.320 -0.000 0.000 0.282 266 K C -1.329 175.259 176.600 -0.020 0.000 1.039 266 K CA -0.504 55.770 56.287 -0.022 0.000 0.928 266 K CB 0.926 33.412 32.500 -0.024 0.000 1.039 266 K HN 0.514 nan 8.250 nan 0.000 0.470 267 V N 5.440 125.341 119.914 -0.022 0.000 2.383 267 V HA 0.096 4.216 4.120 -0.000 0.000 0.261 267 V C -0.675 175.405 176.094 -0.022 0.000 0.987 267 V CA -0.606 61.681 62.300 -0.021 0.000 0.853 267 V CB 0.628 32.440 31.823 -0.018 0.000 1.095 267 V HN 0.972 nan 8.190 nan 0.000 0.461 268 D N 1.135 121.522 120.400 -0.022 0.000 2.527 268 D HA 0.177 4.817 4.640 -0.000 0.000 0.224 268 D C 1.364 177.654 176.300 -0.017 0.000 1.217 268 D CA 0.315 54.303 54.000 -0.020 0.000 0.819 268 D CB 0.645 41.431 40.800 -0.022 0.000 1.061 268 D HN 0.604 nan 8.370 nan 0.000 0.515 269 G N 0.548 109.338 108.800 -0.017 0.000 2.283 269 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.280 269 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.280 269 G C 1.286 176.177 174.900 -0.015 0.000 1.029 269 G CA 0.703 45.794 45.100 -0.015 0.000 0.840 269 G HN 1.404 nan 8.290 nan 0.000 0.505 270 G N -1.696 107.094 108.800 -0.016 0.000 2.184 270 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 270 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 270 G C 1.267 176.157 174.900 -0.016 0.000 0.975 270 G CA 1.150 46.240 45.100 -0.016 0.000 0.642 270 G HN 1.655 nan 8.290 nan 0.000 0.536 271 L N 0.847 122.060 121.223 -0.017 0.000 2.051 271 L HA 0.049 4.389 4.340 -0.000 0.000 0.214 271 L C 2.463 179.321 176.870 -0.021 0.000 1.076 271 L CA 2.760 57.589 54.840 -0.019 0.000 0.758 271 L CB -0.362 41.686 42.059 -0.019 0.000 0.890 271 L HN 0.504 nan 8.230 nan 0.000 0.433 272 I N -1.420 119.138 120.570 -0.019 0.000 2.756 272 I HA -0.242 3.928 4.170 -0.000 0.000 0.262 272 I C 1.552 177.660 176.117 -0.015 0.000 1.225 272 I CA 0.607 61.896 61.300 -0.018 0.000 1.472 272 I CB 0.110 38.099 38.000 -0.018 0.000 1.094 272 I HN 0.284 nan 8.210 nan 0.000 0.454 273 L N 0.974 122.188 121.223 -0.015 0.000 2.341 273 L HA 0.199 4.539 4.340 -0.000 0.000 0.214 273 L C 1.509 178.371 176.870 -0.013 0.000 1.115 273 L CA 0.512 55.345 54.840 -0.012 0.000 0.820 273 L CB -1.353 40.699 42.059 -0.012 0.000 0.944 273 L HN 0.116 nan 8.230 nan 0.000 0.452 274 A N 0.692 123.502 122.820 -0.016 0.000 2.515 274 A HA 0.105 4.425 4.320 -0.000 0.000 0.263 274 A C 0.659 178.233 177.584 -0.017 0.000 1.096 274 A CA -0.027 51.999 52.037 -0.018 0.000 0.769 274 A CB -0.507 18.479 19.000 -0.023 0.000 1.040 274 A HN 0.266 nan 8.150 nan 0.000 0.505 275 R N 2.591 123.083 120.500 -0.014 0.000 2.442 275 R HA 0.438 4.778 4.340 -0.000 0.000 0.291 275 R C 0.700 176.991 176.300 -0.015 0.000 1.069 275 R CA 0.491 56.583 56.100 -0.013 0.000 1.022 275 R CB 0.508 30.802 30.300 -0.010 0.000 0.976 275 R HN 0.882 nan 8.270 nan 0.000 0.443 276 A N 0.000 122.811 122.820 -0.015 0.000 2.254 276 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 276 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 276 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 276 A HN 0.000 nan 8.150 nan 0.000 0.486