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 2yzg_1_B DATA FIRST_RESID 2 DATA SEQUENCE RVLLIAGGVS PEHEVSLLSA EGVLRHIPFP TDLAVIAQDG RWLLGEKALT DATA SEQUENCE ALEAKAAPEG EHPFPPPLSW ERYDVVFPLL HGRFGEDGTV QGFLELLGKP DATA SEQUENCE YVGAGVAASA LCXDKDLSKR VLAQAGVPVV PWVAVRKGEP PVVPFDPPFF DATA SEQUENCE VKPANTGSSV GISRVERFQD LEAALALAFR YDEKAVVEKA LSPVRELEVG DATA SEQUENCE VLGNVFGEAS PVGEVRYEAP FXXXXXXXXP GRAELLIPAP LDPGTQETVQ DATA SEQUENCE ELALKAYKVL GVRGXARVDF FLAEGELYLN ELNTIPGFTP TSXYPRLFEA DATA SEQUENCE GGVAYPELLR RLVELALT 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.376 176.300 0.127 0.000 0.893 2 R CA 0.000 56.119 56.100 0.031 0.000 0.921 2 R CB 0.000 30.268 30.300 -0.054 0.000 0.687 3 V N 5.017 125.042 119.914 0.186 0.000 2.513 3 V HA 0.597 4.716 4.120 -0.001 0.000 0.299 3 V C -0.806 175.416 176.094 0.214 0.000 1.035 3 V CA -0.888 61.526 62.300 0.191 0.000 0.889 3 V CB 1.638 33.532 31.823 0.118 0.000 0.988 3 V HN 0.676 nan 8.190 nan 0.000 0.440 4 L N 5.809 127.040 121.223 0.013 0.000 2.298 4 L HA 0.640 4.979 4.340 -0.001 0.000 0.284 4 L C -0.871 175.946 176.870 -0.087 0.000 1.013 4 L CA -0.231 54.403 54.840 -0.342 0.000 0.824 4 L CB 1.222 42.676 42.059 -1.009 0.000 1.221 4 L HN 0.610 nan 8.230 nan 0.000 0.418 5 L N 6.550 127.726 121.223 -0.079 0.000 2.289 5 L HA 0.588 4.928 4.340 -0.001 0.000 0.285 5 L C -0.785 176.052 176.870 -0.054 0.000 1.049 5 L CA 0.144 54.949 54.840 -0.060 0.000 0.804 5 L CB 0.910 42.877 42.059 -0.153 0.000 1.195 5 L HN 0.572 nan 8.230 nan 0.000 0.428 6 I N 5.481 126.046 120.570 -0.008 0.000 2.389 6 I HA 0.703 4.873 4.170 -0.001 0.000 0.288 6 I C -0.150 175.903 176.117 -0.106 0.000 0.999 6 I CA -0.394 60.880 61.300 -0.043 0.000 1.129 6 I CB 1.524 39.547 38.000 0.039 0.000 1.288 6 I HN 0.788 nan 8.210 nan 0.000 0.444 7 A N 4.083 126.804 122.820 -0.165 0.000 2.486 7 A HA 1.002 5.322 4.320 -0.001 0.000 0.289 7 A C 0.269 177.693 177.584 -0.266 0.000 1.176 7 A CA 0.016 51.941 52.037 -0.186 0.000 0.757 7 A CB 1.438 20.347 19.000 -0.152 0.000 1.337 7 A HN 1.022 nan 8.150 nan 0.000 0.423 8 G N -0.798 107.805 108.800 -0.327 0.000 3.035 8 G HA2 0.539 4.498 3.960 -0.001 0.000 0.242 8 G HA3 0.539 4.498 3.960 -0.001 0.000 0.242 8 G C 1.418 176.121 174.900 -0.329 0.000 1.524 8 G CA 0.958 45.707 45.100 -0.585 0.000 1.038 8 G HN 3.149 nan 8.290 nan 0.000 0.561 9 G N -2.394 106.315 108.800 -0.151 0.000 2.699 9 G HA2 0.339 4.298 3.960 -0.001 0.000 0.686 9 G HA3 0.339 4.298 3.960 -0.001 0.000 0.686 9 G C 0.656 175.656 174.900 0.168 0.000 1.301 9 G CA 1.019 46.115 45.100 -0.006 0.000 0.816 9 G HN 2.315 nan 8.290 nan 0.000 0.595 10 V N -1.368 118.630 119.914 0.141 0.000 3.331 10 V HA 0.625 4.745 4.120 -0.001 0.000 0.332 10 V C 1.197 177.362 176.094 0.119 0.000 1.341 10 V CA 0.995 63.380 62.300 0.142 0.000 1.218 10 V CB -0.553 31.360 31.823 0.150 0.000 1.152 10 V HN 1.942 nan 8.190 nan 0.000 0.445 11 S N -0.053 115.723 115.700 0.127 0.000 2.713 11 S HA 0.644 5.114 4.470 -0.001 0.000 0.283 11 S C -1.690 172.979 174.600 0.114 0.000 1.161 11 S CA -1.202 57.056 58.200 0.097 0.000 0.999 11 S CB 1.414 64.675 63.200 0.102 0.000 1.039 11 S HN 0.214 nan 8.310 nan 0.000 0.548 12 P HA 0.123 nan 4.420 nan 0.000 0.233 12 P C 0.497 177.853 177.300 0.093 0.000 1.167 12 P CA 0.595 63.740 63.100 0.075 0.000 0.770 12 P CB 0.086 31.816 31.700 0.051 0.000 0.837 13 E N -1.496 118.770 120.200 0.109 0.000 2.403 13 E HA -0.066 4.283 4.350 -0.001 0.000 0.188 13 E C 1.416 178.126 176.600 0.183 0.000 1.056 13 E CA -0.027 56.433 56.400 0.100 0.000 0.892 13 E CB -0.621 29.090 29.700 0.018 0.000 1.049 13 E HN 0.459 nan 8.360 nan 0.000 0.465 14 H N 2.073 121.193 119.070 0.082 0.000 2.265 14 H HA -0.170 4.386 4.556 -0.001 0.000 0.293 14 H C 1.224 176.590 175.328 0.064 0.000 1.089 14 H CA 2.113 58.200 56.048 0.067 0.000 1.244 14 H CB 0.511 30.294 29.762 0.035 0.000 1.355 14 H HN 0.281 nan 8.280 nan 0.000 0.485 15 E N -0.189 120.180 120.200 0.282 0.000 2.072 15 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 15 E C 2.412 179.071 176.600 0.099 0.000 0.985 15 E CA 1.021 57.535 56.400 0.189 0.000 0.801 15 E CB -0.150 29.647 29.700 0.162 0.000 0.750 15 E HN 0.244 nan 8.360 nan 0.000 0.452 16 V N 0.862 120.833 119.914 0.095 0.000 2.594 16 V HA -0.248 3.871 4.120 -0.001 0.000 0.253 16 V C 2.315 178.484 176.094 0.125 0.000 1.069 16 V CA 2.174 64.523 62.300 0.083 0.000 1.082 16 V CB -0.087 31.759 31.823 0.038 0.000 0.680 16 V HN 0.239 nan 8.190 nan 0.000 0.469 17 S N -0.558 115.228 115.700 0.143 0.000 2.355 17 S HA -0.113 4.357 4.470 -0.001 0.000 0.222 17 S C 1.917 176.535 174.600 0.030 0.000 1.031 17 S CA 1.577 59.863 58.200 0.143 0.000 0.993 17 S CB -0.259 62.974 63.200 0.054 0.000 0.859 17 S HN 0.479 nan 8.310 nan 0.000 0.453 18 L N 1.656 122.862 121.223 -0.029 0.000 2.046 18 L HA 0.010 4.350 4.340 -0.001 0.000 0.208 18 L C 2.418 179.301 176.870 0.021 0.000 1.077 18 L CA 1.432 56.253 54.840 -0.033 0.000 0.747 18 L CB -1.729 40.313 42.059 -0.028 0.000 0.896 18 L HN 0.392 nan 8.230 nan 0.000 0.432 19 L N -0.303 120.952 121.223 0.054 0.000 2.012 19 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 19 L C 2.674 179.603 176.870 0.100 0.000 1.073 19 L CA 1.768 56.651 54.840 0.072 0.000 0.748 19 L CB -0.615 41.489 42.059 0.076 0.000 0.891 19 L HN 0.410 nan 8.230 nan 0.000 0.431 20 S N -0.434 115.346 115.700 0.134 0.000 2.428 20 S HA -0.046 4.423 4.470 -0.001 0.000 0.230 20 S C 2.133 176.803 174.600 0.116 0.000 1.014 20 S CA 0.597 58.920 58.200 0.205 0.000 0.957 20 S CB -0.303 63.086 63.200 0.315 0.000 0.784 20 S HN 0.348 nan 8.310 nan 0.000 0.499 21 A N 2.053 124.892 122.820 0.031 0.000 1.902 21 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 21 A C 2.200 179.761 177.584 -0.039 0.000 1.181 21 A CA 1.643 53.642 52.037 -0.064 0.000 0.623 21 A CB -0.849 18.106 19.000 -0.075 0.000 0.818 21 A HN 0.690 nan 8.150 nan 0.000 0.443 22 E N -0.508 119.699 120.200 0.011 0.000 2.077 22 E HA -0.102 4.247 4.350 -0.001 0.000 0.193 22 E C 2.078 178.715 176.600 0.061 0.000 0.989 22 E CA 1.070 57.483 56.400 0.021 0.000 0.800 22 E CB -0.495 29.225 29.700 0.033 0.000 0.746 22 E HN 0.481 nan 8.360 nan 0.000 0.452 23 G N 0.607 109.490 108.800 0.139 0.000 2.469 23 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.219 23 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.219 23 G C 1.639 176.735 174.900 0.327 0.000 1.150 23 G CA 1.163 46.440 45.100 0.295 0.000 0.763 23 G HN 0.249 nan 8.290 nan 0.000 0.561 24 V N 0.876 120.859 119.914 0.114 0.000 2.270 24 V HA -0.117 4.003 4.120 -0.001 0.000 0.245 24 V C 2.915 178.959 176.094 -0.083 0.000 1.043 24 V CA 1.519 63.763 62.300 -0.093 0.000 1.014 24 V CB -0.550 31.030 31.823 -0.405 0.000 0.645 24 V HN 0.338 nan 8.190 nan 0.000 0.447 25 L N -0.325 120.851 121.223 -0.078 0.000 2.042 25 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 25 L C 2.311 179.143 176.870 -0.064 0.000 1.076 25 L CA 1.583 56.385 54.840 -0.064 0.000 0.749 25 L CB -0.472 41.554 42.059 -0.054 0.000 0.893 25 L HN 0.228 nan 8.230 nan 0.000 0.432 26 R N -0.971 119.476 120.500 -0.087 0.000 2.404 26 R HA 0.026 4.365 4.340 -0.001 0.000 0.236 26 R C 0.354 176.371 176.300 -0.472 0.000 1.044 26 R CA 0.145 56.105 56.100 -0.234 0.000 1.133 26 R CB -0.069 30.075 30.300 -0.261 0.000 1.142 26 R HN 0.457 nan 8.270 nan 0.000 0.512 27 H N -1.771 117.302 119.070 0.005 0.000 3.577 27 H HA 0.076 4.632 4.556 -0.001 0.000 0.241 27 H C -0.001 175.254 175.328 -0.122 0.000 1.070 27 H CA -0.410 55.625 56.048 -0.023 0.000 1.114 27 H CB 0.362 30.150 29.762 0.043 0.000 1.241 27 H HN 0.086 nan 8.280 nan 0.000 0.783 28 I N 6.286 126.840 120.570 -0.026 0.000 2.598 28 I HA 0.057 4.227 4.170 -0.001 0.000 0.284 28 I C -1.357 174.716 176.117 -0.075 0.000 1.140 28 I CA -1.390 59.877 61.300 -0.056 0.000 1.420 28 I CB 1.131 39.124 38.000 -0.012 0.000 1.387 28 I HN -0.098 nan 8.210 nan 0.000 0.553 29 P HA 0.126 nan 4.420 nan 0.000 0.258 29 P C -0.912 176.030 177.300 -0.597 0.000 1.559 29 P CA 0.473 63.344 63.100 -0.382 0.000 0.855 29 P CB -0.519 30.895 31.700 -0.477 0.000 1.594 30 F N -0.134 119.820 119.950 0.007 0.000 2.626 30 F HA 0.448 4.974 4.527 -0.002 0.000 0.311 30 F C -2.335 173.476 175.800 0.018 0.000 1.088 30 F CA -2.945 55.066 58.000 0.018 0.000 0.949 30 F CB 1.477 40.496 39.000 0.032 0.000 1.322 30 F HN -0.334 nan 8.300 nan 0.000 0.461 31 P HA 0.230 nan 4.420 nan 0.000 0.276 31 P C -1.124 176.268 177.300 0.152 0.000 1.253 31 P CA -0.015 63.167 63.100 0.137 0.000 0.766 31 P CB 0.768 32.529 31.700 0.101 0.000 0.845 32 T N 2.764 117.389 114.554 0.118 0.000 2.881 32 T HA 0.287 4.636 4.350 -0.001 0.000 0.291 32 T C -0.446 174.308 174.700 0.091 0.000 0.990 32 T CA -0.623 61.548 62.100 0.117 0.000 0.976 32 T CB 0.996 69.912 68.868 0.080 0.000 0.970 32 T HN 0.183 nan 8.240 nan 0.000 0.438 33 D N 1.635 122.121 120.400 0.143 0.000 2.411 33 D HA 0.597 5.236 4.640 -0.001 0.000 0.251 33 D C -0.383 175.923 176.300 0.010 0.000 1.201 33 D CA -0.526 53.538 54.000 0.106 0.000 0.996 33 D CB 0.878 41.815 40.800 0.229 0.000 1.101 33 D HN 0.283 nan 8.370 nan 0.000 0.504 34 L N -0.297 120.922 121.223 -0.007 0.000 2.422 34 L HA 0.690 5.029 4.340 -0.001 0.000 0.264 34 L C -1.659 175.195 176.870 -0.027 0.000 0.984 34 L CA -0.625 54.192 54.840 -0.038 0.000 0.819 34 L CB 1.809 43.849 42.059 -0.031 0.000 1.330 34 L HN 0.413 nan 8.230 nan 0.000 0.410 35 A N 4.256 127.057 122.820 -0.033 0.000 2.356 35 A HA 0.831 5.150 4.320 -0.001 0.000 0.310 35 A C -1.594 175.968 177.584 -0.036 0.000 1.075 35 A CA -0.539 51.518 52.037 0.032 0.000 0.746 35 A CB 1.710 20.783 19.000 0.121 0.000 1.221 35 A HN 0.529 nan 8.150 nan 0.000 0.443 36 V N 3.564 123.461 119.914 -0.028 0.000 2.555 36 V HA 0.421 4.541 4.120 -0.001 0.000 0.302 36 V C -0.359 175.598 176.094 -0.228 0.000 1.038 36 V CA -0.348 61.874 62.300 -0.130 0.000 0.887 36 V CB 1.748 33.537 31.823 -0.057 0.000 0.991 36 V HN 0.773 nan 8.190 nan 0.000 0.434 37 I N 4.159 124.498 120.570 -0.385 0.000 2.321 37 I HA 0.554 4.724 4.170 -0.001 0.000 0.291 37 I C 0.703 176.752 176.117 -0.113 0.000 0.998 37 I CA -0.284 60.739 61.300 -0.462 0.000 1.227 37 I CB 1.556 39.160 38.000 -0.659 0.000 1.368 37 I HN 0.719 nan 8.210 nan 0.000 0.466 38 A N 5.102 127.916 122.820 -0.010 0.000 2.332 38 A HA 0.215 4.534 4.320 -0.001 0.000 0.258 38 A C 0.972 178.606 177.584 0.084 0.000 1.087 38 A CA -0.203 51.896 52.037 0.104 0.000 0.802 38 A CB 0.480 19.518 19.000 0.064 0.000 1.042 38 A HN 0.827 nan 8.150 nan 0.000 0.489 39 Q N -0.106 119.701 119.800 0.012 0.000 2.234 39 Q HA -0.189 4.150 4.340 -0.001 0.000 0.206 39 Q C 0.621 176.624 176.000 0.005 0.000 0.980 39 Q CA 1.730 57.511 55.803 -0.036 0.000 0.869 39 Q CB -0.068 28.562 28.738 -0.181 0.000 0.912 39 Q HN 0.911 nan 8.270 nan 0.000 0.436 40 D N -1.903 118.504 120.400 0.011 0.000 2.328 40 D HA 0.056 4.696 4.640 -0.001 0.000 0.226 40 D C 1.098 177.425 176.300 0.046 0.000 1.066 40 D CA 0.744 54.759 54.000 0.025 0.000 0.861 40 D CB 0.131 40.942 40.800 0.019 0.000 0.912 40 D HN 0.244 nan 8.370 nan 0.000 0.521 41 G N 0.298 109.127 108.800 0.049 0.000 2.225 41 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.254 41 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.254 41 G C 0.381 175.362 174.900 0.135 0.000 0.988 41 G CA -0.031 45.102 45.100 0.054 0.000 0.625 41 G HN 0.472 nan 8.290 nan 0.000 0.527 42 R N -0.543 120.044 120.500 0.146 0.000 2.490 42 R HA 0.441 4.780 4.340 -0.001 0.000 0.278 42 R C -0.106 176.367 176.300 0.287 0.000 1.069 42 R CA -0.422 55.828 56.100 0.250 0.000 1.080 42 R CB 0.517 30.906 30.300 0.148 0.000 1.030 42 R HN 0.227 nan 8.270 nan 0.000 0.491 43 W N 2.359 123.729 121.300 0.116 0.000 2.283 43 W HA 0.379 5.038 4.660 -0.001 0.000 0.341 43 W C -0.210 176.391 176.519 0.137 0.000 1.206 43 W CA -0.310 57.113 57.345 0.129 0.000 1.294 43 W CB 0.414 29.961 29.460 0.145 0.000 1.154 43 W HN 0.241 nan 8.180 nan 0.000 0.613 44 L N 3.225 124.642 121.223 0.323 0.000 2.406 44 L HA 0.511 4.850 4.340 -0.001 0.000 0.272 44 L C -0.443 176.557 176.870 0.217 0.000 0.980 44 L CA -0.678 54.295 54.840 0.222 0.000 0.831 44 L CB 0.850 42.976 42.059 0.111 0.000 1.253 44 L HN 0.209 nan 8.230 nan 0.000 0.406 45 L N 1.351 122.706 121.223 0.219 0.000 2.298 45 L HA 0.815 5.154 4.340 -0.001 0.000 0.268 45 L C 1.208 178.132 176.870 0.090 0.000 1.010 45 L CA -0.504 54.417 54.840 0.136 0.000 0.812 45 L CB 1.431 43.546 42.059 0.093 0.000 1.331 45 L HN 0.769 nan 8.230 nan 0.000 0.450 46 G N 0.155 108.989 108.800 0.057 0.000 2.627 46 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.312 46 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.312 46 G C 0.884 175.808 174.900 0.041 0.000 1.299 46 G CA 0.736 45.863 45.100 0.045 0.000 0.989 46 G HN 0.769 nan 8.290 nan 0.000 0.547 47 E N 0.691 120.912 120.200 0.036 0.000 2.085 47 E HA -0.126 4.223 4.350 -0.001 0.000 0.194 47 E C 2.625 179.244 176.600 0.031 0.000 0.994 47 E CA 1.860 58.277 56.400 0.029 0.000 0.801 47 E CB -0.307 29.407 29.700 0.024 0.000 0.743 47 E HN 0.631 nan 8.360 nan 0.000 0.453 48 K N -0.066 120.359 120.400 0.041 0.000 2.209 48 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 48 K C 2.051 178.676 176.600 0.042 0.000 1.048 48 K CA 1.002 57.313 56.287 0.040 0.000 0.940 48 K CB -0.073 32.455 32.500 0.047 0.000 0.729 48 K HN 0.073 nan 8.250 nan 0.000 0.451 49 A N 1.074 123.922 122.820 0.046 0.000 1.929 49 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 49 A C 1.965 179.561 177.584 0.020 0.000 1.176 49 A CA 0.885 52.944 52.037 0.037 0.000 0.628 49 A CB -0.248 18.775 19.000 0.037 0.000 0.816 49 A HN 0.068 nan 8.150 nan 0.000 0.444 50 L N 0.063 121.297 121.223 0.019 0.000 2.141 50 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 50 L C 2.590 179.469 176.870 0.015 0.000 1.094 50 L CA 2.173 57.020 54.840 0.013 0.000 0.763 50 L CB -2.038 40.028 42.059 0.012 0.000 0.908 50 L HN 0.361 nan 8.230 nan 0.000 0.437 51 T N 0.456 115.022 114.554 0.020 0.000 2.674 51 T HA -0.161 4.188 4.350 -0.001 0.000 0.265 51 T C 2.065 176.779 174.700 0.024 0.000 1.039 51 T CA 1.461 63.573 62.100 0.020 0.000 1.150 51 T CB -0.218 68.663 68.868 0.021 0.000 0.864 51 T HN 0.411 nan 8.240 nan 0.000 0.427 52 A N 1.481 124.319 122.820 0.029 0.000 1.873 52 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 52 A C 2.258 179.862 177.584 0.035 0.000 1.193 52 A CA 1.679 53.740 52.037 0.039 0.000 0.629 52 A CB -1.036 17.990 19.000 0.044 0.000 0.826 52 A HN 0.413 nan 8.150 nan 0.000 0.447 53 L N 0.081 121.315 121.223 0.018 0.000 2.187 53 L HA -0.164 4.175 4.340 -0.001 0.000 0.213 53 L C 2.084 178.965 176.870 0.018 0.000 1.100 53 L CA 2.291 57.137 54.840 0.010 0.000 0.765 53 L CB -0.475 41.581 42.059 -0.004 0.000 0.904 53 L HN 0.551 nan 8.230 nan 0.000 0.437 54 E N -0.963 119.249 120.200 0.019 0.000 2.216 54 E HA -0.008 4.341 4.350 -0.001 0.000 0.192 54 E C 1.900 178.515 176.600 0.025 0.000 0.988 54 E CA 0.767 57.179 56.400 0.019 0.000 0.834 54 E CB -0.126 29.584 29.700 0.016 0.000 0.772 54 E HN 0.589 nan 8.360 nan 0.000 0.479 55 A N 0.845 123.683 122.820 0.030 0.000 2.275 55 A HA 0.070 4.389 4.320 -0.001 0.000 0.212 55 A C 0.547 178.158 177.584 0.046 0.000 1.201 55 A CA -0.051 52.006 52.037 0.034 0.000 0.843 55 A CB 0.089 19.108 19.000 0.032 0.000 0.873 55 A HN 0.008 nan 8.150 nan 0.000 0.492 56 K N -1.880 118.551 120.400 0.052 0.000 3.069 56 K HA -0.167 4.152 4.320 -0.001 0.000 0.267 56 K C -0.180 176.490 176.600 0.117 0.000 1.082 56 K CA 1.007 57.336 56.287 0.070 0.000 0.782 56 K CB -2.213 30.322 32.500 0.059 0.000 1.230 56 K HN 1.507 nan 8.250 nan 0.000 0.488 57 A N -1.423 121.480 122.820 0.139 0.000 2.596 57 A HA 0.717 5.036 4.320 -0.001 0.000 0.305 57 A C -1.485 176.186 177.584 0.144 0.000 1.032 57 A CA -0.288 51.863 52.037 0.191 0.000 0.776 57 A CB 1.156 20.193 19.000 0.063 0.000 1.253 57 A HN 0.672 nan 8.150 nan 0.000 0.402 58 A N 3.538 126.458 122.820 0.166 0.000 2.702 58 A HA 0.748 5.067 4.320 -0.001 0.000 0.305 58 A C -2.286 175.277 177.584 -0.036 0.000 1.213 58 A CA -1.396 50.692 52.037 0.085 0.000 0.745 58 A CB 0.644 19.739 19.000 0.158 0.000 1.161 58 A HN 0.369 nan 8.150 nan 0.000 0.445 59 P HA -0.151 nan 4.420 nan 0.000 0.215 59 P C 0.281 177.555 177.300 -0.042 0.000 1.153 59 P CA 1.625 64.675 63.100 -0.082 0.000 0.853 59 P CB 0.281 31.951 31.700 -0.051 0.000 0.788 60 E N -1.455 118.738 120.200 -0.011 0.000 2.340 60 E HA 0.620 4.970 4.350 -0.001 0.000 0.273 60 E C -0.475 176.138 176.600 0.022 0.000 0.891 60 E CA -1.158 55.245 56.400 0.006 0.000 0.757 60 E CB 1.718 31.418 29.700 0.001 0.000 1.231 60 E HN -0.087 nan 8.360 nan 0.000 0.439 61 G N 0.438 109.260 108.800 0.037 0.000 2.820 61 G HA2 0.236 4.196 3.960 -0.001 0.000 0.291 61 G HA3 0.236 4.196 3.960 -0.001 0.000 0.291 61 G C -0.021 174.889 174.900 0.017 0.000 1.323 61 G CA -0.305 44.827 45.100 0.053 0.000 1.055 61 G HN 0.743 nan 8.290 nan 0.000 0.520 62 E N -1.525 118.664 120.200 -0.018 0.000 2.152 62 E HA 0.026 4.375 4.350 -0.001 0.000 0.195 62 E C -0.121 176.346 176.600 -0.222 0.000 0.934 62 E CA -0.174 56.115 56.400 -0.185 0.000 0.869 62 E CB 0.144 29.617 29.700 -0.379 0.000 0.842 62 E HN 0.471 nan 8.360 nan 0.000 0.472 63 H N 1.735 120.876 119.070 0.118 0.000 2.527 63 H HA 0.303 4.857 4.556 -0.002 0.000 0.321 63 H C -2.283 173.119 175.328 0.123 0.000 1.087 63 H CA -2.337 53.763 56.048 0.087 0.000 1.337 63 H CB 1.043 30.831 29.762 0.043 0.000 1.440 63 H HN 0.164 nan 8.280 nan 0.000 0.490 64 P HA 0.009 nan 4.420 nan 0.000 0.280 64 P C -0.070 177.281 177.300 0.085 0.000 1.244 64 P CA -0.416 62.773 63.100 0.150 0.000 0.784 64 P CB 0.318 32.071 31.700 0.088 0.000 0.913 65 F N 5.733 125.683 119.950 -0.000 0.000 2.572 65 F HA 0.228 4.755 4.527 -0.000 0.000 0.370 65 F C -1.665 174.031 175.800 -0.173 0.000 1.103 65 F CA -1.504 56.393 58.000 -0.172 0.000 1.286 65 F CB -0.084 38.876 39.000 -0.066 0.000 1.105 65 F HN 0.259 nan 8.300 nan 0.000 0.583 66 P HA 0.241 nan 4.420 nan 0.000 0.287 66 P C -2.840 174.033 177.300 -0.712 0.000 1.281 66 P CA -1.440 60.801 63.100 -1.431 0.000 0.781 66 P CB 0.772 31.821 31.700 -1.085 0.000 0.903 67 P HA 0.088 nan 4.420 nan 0.000 0.269 67 P C -2.048 175.011 177.300 -0.401 0.000 1.209 67 P CA -1.333 61.403 63.100 -0.607 0.000 0.776 67 P CB -0.394 30.762 31.700 -0.907 0.000 0.876 68 P HA 0.103 nan 4.420 nan 0.000 0.232 68 P C -0.278 176.840 177.300 -0.302 0.000 1.738 68 P CA -0.066 62.859 63.100 -0.292 0.000 0.948 68 P CB -0.214 31.303 31.700 -0.305 0.000 1.943 69 L N 1.612 122.650 121.223 -0.309 0.000 2.357 69 L HA 0.321 4.661 4.340 -0.001 0.000 0.273 69 L C 0.491 177.104 176.870 -0.427 0.000 1.080 69 L CA -0.187 54.373 54.840 -0.467 0.000 0.803 69 L CB 1.474 43.023 42.059 -0.849 0.000 1.174 69 L HN 0.032 nan 8.230 nan 0.000 0.443 70 S N 2.069 117.569 115.700 -0.334 0.000 3.170 70 S HA 0.112 4.581 4.470 -0.001 0.000 0.257 70 S C 0.399 174.948 174.600 -0.086 0.000 1.284 70 S CA -0.683 57.427 58.200 -0.150 0.000 0.973 70 S CB -0.651 62.490 63.200 -0.098 0.000 1.330 70 S HN 0.732 nan 8.310 nan 0.000 0.493 71 W N 1.644 122.996 121.300 0.087 0.000 2.387 71 W HA -0.030 4.631 4.660 0.001 0.000 0.272 71 W C 2.029 178.622 176.519 0.123 0.000 1.224 71 W CA 0.387 57.824 57.345 0.154 0.000 1.210 71 W CB -0.331 29.142 29.460 0.023 0.000 1.125 71 W HN 0.534 nan 8.180 nan 0.000 0.572 72 E N 0.541 120.854 120.200 0.189 0.000 2.209 72 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 72 E C 1.918 178.503 176.600 -0.026 0.000 0.993 72 E CA 1.058 57.503 56.400 0.074 0.000 0.819 72 E CB -0.380 29.334 29.700 0.023 0.000 0.745 72 E HN 0.476 nan 8.360 nan 0.000 0.477 73 R N -0.215 120.193 120.500 -0.154 0.000 2.237 73 R HA -0.067 4.273 4.340 -0.001 0.000 0.219 73 R C 0.196 176.119 176.300 -0.630 0.000 1.080 73 R CA 0.600 56.421 56.100 -0.465 0.000 0.995 73 R CB 0.008 29.846 30.300 -0.768 0.000 0.875 73 R HN 0.144 nan 8.270 nan 0.000 0.462 74 Y N -0.529 119.786 120.300 0.025 0.000 2.429 74 Y HA 0.193 4.742 4.550 -0.001 0.000 0.342 74 Y C 0.870 176.795 175.900 0.042 0.000 1.004 74 Y CA -1.133 56.989 58.100 0.036 0.000 1.075 74 Y CB 1.362 39.862 38.460 0.067 0.000 1.214 74 Y HN -0.194 nan 8.280 nan 0.000 0.455 75 D N 0.968 121.450 120.400 0.138 0.000 2.216 75 D HA 0.062 4.701 4.640 -0.001 0.000 0.208 75 D C -0.296 176.045 176.300 0.068 0.000 0.960 75 D CA 1.250 55.283 54.000 0.056 0.000 0.861 75 D CB 0.719 41.502 40.800 -0.029 0.000 0.985 75 D HN 0.174 nan 8.370 nan 0.000 0.493 76 V N 1.249 121.220 119.914 0.095 0.000 2.888 76 V HA 0.270 4.389 4.120 -0.001 0.000 0.309 76 V C -0.263 175.921 176.094 0.151 0.000 1.114 76 V CA -0.841 61.508 62.300 0.083 0.000 0.940 76 V CB 2.983 34.797 31.823 -0.015 0.000 1.021 76 V HN -0.253 nan 8.190 nan 0.000 0.426 77 V N 4.047 124.072 119.914 0.184 0.000 2.483 77 V HA 0.483 4.602 4.120 -0.001 0.000 0.295 77 V C -0.882 175.348 176.094 0.226 0.000 1.035 77 V CA -0.468 61.962 62.300 0.217 0.000 0.896 77 V CB 1.725 33.722 31.823 0.289 0.000 0.986 77 V HN 0.708 nan 8.190 nan 0.000 0.447 78 F N 8.034 128.018 119.950 0.057 0.000 2.363 78 F HA 0.538 5.064 4.527 -0.001 0.000 0.366 78 F C -2.220 173.587 175.800 0.012 0.000 1.083 78 F CA -3.257 54.756 58.000 0.021 0.000 1.176 78 F CB 1.230 40.201 39.000 -0.049 0.000 1.432 78 F HN 0.320 nan 8.300 nan 0.000 0.482 79 P HA 0.071 nan 4.420 nan 0.000 0.271 79 P C -0.279 177.165 177.300 0.240 0.000 1.216 79 P CA -0.084 63.140 63.100 0.207 0.000 0.771 79 P CB 2.199 33.967 31.700 0.114 0.000 0.864 80 L N 3.364 124.635 121.223 0.079 0.000 3.358 80 L HA 0.226 4.565 4.340 -0.001 0.000 0.301 80 L C 0.041 176.760 176.870 -0.251 0.000 1.276 80 L CA -0.169 54.666 54.840 -0.009 0.000 1.028 80 L CB 0.132 42.171 42.059 -0.034 0.000 1.421 80 L HN 0.189 nan 8.230 nan 0.000 0.604 81 L N -0.113 120.979 121.223 -0.219 0.000 2.456 81 L HA 0.341 4.681 4.340 -0.001 0.000 0.257 81 L C 0.178 176.808 176.870 -0.399 0.000 1.162 81 L CA 0.016 54.706 54.840 -0.250 0.000 0.808 81 L CB 0.261 42.260 42.059 -0.099 0.000 1.136 81 L HN 0.153 nan 8.230 nan 0.000 0.466 82 H N -0.569 118.523 119.070 0.037 0.000 2.797 82 H HA 0.504 5.060 4.556 -0.001 0.000 0.372 82 H C 0.565 175.905 175.328 0.020 0.000 1.168 82 H CA 0.192 56.261 56.048 0.035 0.000 1.163 82 H CB 1.829 31.613 29.762 0.037 0.000 1.778 82 H HN 0.740 nan 8.280 nan 0.000 0.551 83 G N 1.443 110.328 108.800 0.142 0.000 2.596 83 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.295 83 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.295 83 G C 0.296 175.184 174.900 -0.020 0.000 1.240 83 G CA 0.460 45.588 45.100 0.046 0.000 0.985 83 G HN 0.699 nan 8.290 nan 0.000 0.555 84 R N -0.146 120.289 120.500 -0.107 0.000 2.585 84 R HA 0.352 4.691 4.340 -0.001 0.000 0.275 84 R C 0.560 176.733 176.300 -0.211 0.000 1.018 84 R CA 0.803 56.713 56.100 -0.317 0.000 1.072 84 R CB -0.704 29.285 30.300 -0.517 0.000 0.953 84 R HN 1.113 nan 8.270 nan 0.000 0.419 85 F N 1.625 121.550 119.950 -0.042 0.000 3.091 85 F HA -0.231 4.296 4.527 -0.001 0.000 0.288 85 F C 0.965 176.728 175.800 -0.061 0.000 0.907 85 F CA 1.256 59.212 58.000 -0.074 0.000 1.028 85 F CB -1.795 37.143 39.000 -0.104 0.000 1.022 85 F HN 0.734 nan 8.300 nan 0.000 0.665 86 G N -0.142 108.716 108.800 0.096 0.000 2.789 86 G HA2 0.233 4.192 3.960 -0.001 0.000 0.164 86 G HA3 0.233 4.192 3.960 -0.001 0.000 0.164 86 G C 0.692 175.610 174.900 0.030 0.000 1.279 86 G CA 0.161 45.286 45.100 0.041 0.000 0.741 86 G HN 0.351 nan 8.290 nan 0.000 0.685 87 E N 1.270 121.491 120.200 0.036 0.000 2.499 87 E HA 0.148 4.497 4.350 -0.001 0.000 0.199 87 E C 0.139 176.755 176.600 0.026 0.000 1.016 87 E CA 0.243 56.667 56.400 0.039 0.000 0.933 87 E CB 0.644 30.379 29.700 0.059 0.000 1.050 87 E HN 0.499 nan 8.360 nan 0.000 0.462 88 D N -0.081 120.331 120.400 0.020 0.000 2.340 88 D HA 0.070 4.710 4.640 -0.001 0.000 0.217 88 D C 1.371 177.684 176.300 0.022 0.000 1.081 88 D CA 0.397 54.401 54.000 0.007 0.000 0.842 88 D CB 0.348 41.134 40.800 -0.024 0.000 0.934 88 D HN 0.195 nan 8.370 nan 0.000 0.511 89 G N 0.348 109.169 108.800 0.034 0.000 2.225 89 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.254 89 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.254 89 G C 1.279 176.205 174.900 0.044 0.000 0.988 89 G CA 1.063 46.185 45.100 0.038 0.000 0.625 89 G HN 0.572 nan 8.290 nan 0.000 0.527 90 T N -1.153 113.441 114.554 0.067 0.000 2.701 90 T HA 0.014 4.364 4.350 -0.001 0.000 0.263 90 T C 2.263 176.999 174.700 0.060 0.000 1.040 90 T CA 2.294 64.442 62.100 0.081 0.000 1.147 90 T CB -0.539 68.432 68.868 0.170 0.000 0.865 90 T HN 0.601 nan 8.240 nan 0.000 0.426 91 V N 1.945 121.891 119.914 0.053 0.000 2.427 91 V HA -0.160 3.960 4.120 -0.001 0.000 0.248 91 V C 2.955 179.040 176.094 -0.014 0.000 1.051 91 V CA 1.842 64.184 62.300 0.071 0.000 1.048 91 V CB -1.010 30.855 31.823 0.070 0.000 0.666 91 V HN 0.387 nan 8.190 nan 0.000 0.456 92 Q N 0.731 120.464 119.800 -0.111 0.000 2.096 92 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 92 Q C 2.368 178.255 176.000 -0.188 0.000 0.982 92 Q CA 1.986 57.597 55.803 -0.320 0.000 0.850 92 Q CB -1.051 27.641 28.738 -0.077 0.000 0.901 92 Q HN 0.650 nan 8.270 nan 0.000 0.422 93 G N -0.484 108.303 108.800 -0.022 0.000 2.418 93 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.217 93 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.217 93 G C 1.292 176.214 174.900 0.036 0.000 1.158 93 G CA 0.593 45.706 45.100 0.023 0.000 0.771 93 G HN 0.404 nan 8.290 nan 0.000 0.545 94 F N 1.179 121.076 119.950 -0.087 0.000 2.069 94 F HA -0.073 4.453 4.527 -0.002 0.000 0.298 94 F C 2.521 178.189 175.800 -0.220 0.000 1.113 94 F CA 1.301 59.250 58.000 -0.085 0.000 1.214 94 F CB -0.087 38.936 39.000 0.039 0.000 0.978 94 F HN 0.045 nan 8.300 nan 0.000 0.474 95 L N 0.120 121.148 121.223 -0.326 0.000 2.042 95 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 95 L C 2.486 179.159 176.870 -0.328 0.000 1.076 95 L CA 1.270 55.807 54.840 -0.505 0.000 0.749 95 L CB -0.913 40.820 42.059 -0.544 0.000 0.893 95 L HN 0.186 nan 8.230 nan 0.000 0.432 96 E N 0.399 120.495 120.200 -0.173 0.000 2.110 96 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 96 E C 2.350 178.877 176.600 -0.121 0.000 0.988 96 E CA 1.177 57.552 56.400 -0.041 0.000 0.804 96 E CB -0.199 29.518 29.700 0.028 0.000 0.745 96 E HN 0.530 nan 8.360 nan 0.000 0.458 97 L N 0.280 121.389 121.223 -0.190 0.000 2.156 97 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 97 L C 2.415 179.105 176.870 -0.300 0.000 1.095 97 L CA 0.499 55.219 54.840 -0.201 0.000 0.770 97 L CB -0.202 41.755 42.059 -0.169 0.000 0.914 97 L HN 0.071 nan 8.230 nan 0.000 0.439 98 L N -0.407 120.524 121.223 -0.487 0.000 2.478 98 L HA 0.051 4.391 4.340 -0.001 0.000 0.223 98 L C 1.451 178.141 176.870 -0.299 0.000 1.140 98 L CA 0.628 55.144 54.840 -0.539 0.000 0.842 98 L CB -0.526 40.958 42.059 -0.959 0.000 0.953 98 L HN 0.501 nan 8.230 nan 0.000 0.452 99 G N 0.347 109.021 108.800 -0.210 0.000 2.160 99 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.251 99 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.251 99 G C 0.005 174.872 174.900 -0.056 0.000 1.008 99 G CA -0.053 44.986 45.100 -0.101 0.000 0.724 99 G HN 0.156 nan 8.290 nan 0.000 0.514 100 K N 0.533 120.894 120.400 -0.065 0.000 2.211 100 K HA 0.487 4.807 4.320 -0.001 0.000 0.275 100 K C -2.427 174.257 176.600 0.139 0.000 1.024 100 K CA -2.242 54.063 56.287 0.031 0.000 0.887 100 K CB 1.533 34.046 32.500 0.022 0.000 1.084 100 K HN 0.062 nan 8.250 nan 0.000 0.463 101 P HA 0.120 nan 4.420 nan 0.000 0.271 101 P C -1.105 176.280 177.300 0.143 0.000 1.216 101 P CA 0.010 63.140 63.100 0.049 0.000 0.776 101 P CB 0.244 31.935 31.700 -0.014 0.000 0.881 102 Y N -0.830 119.444 120.300 -0.044 0.000 2.625 102 Y HA 0.645 5.194 4.550 -0.001 0.000 0.338 102 Y C -1.009 174.820 175.900 -0.118 0.000 1.123 102 Y CA -1.706 56.360 58.100 -0.056 0.000 1.046 102 Y CB 0.268 38.713 38.460 -0.025 0.000 1.299 102 Y HN 0.003 nan 8.280 nan 0.000 0.464 103 V N 2.484 122.343 119.914 -0.092 0.000 2.775 103 V HA 0.668 4.788 4.120 -0.001 0.000 0.299 103 V C 0.827 176.820 176.094 -0.169 0.000 1.062 103 V CA 0.693 62.810 62.300 -0.306 0.000 1.063 103 V CB 0.333 31.676 31.823 -0.800 0.000 0.994 103 V HN 1.512 nan 8.190 nan 0.000 0.483 104 G N 2.738 111.434 108.800 -0.172 0.000 2.698 104 G HA2 0.244 4.204 3.960 -0.001 0.000 0.225 104 G HA3 0.244 4.204 3.960 -0.001 0.000 0.225 104 G C -0.054 174.819 174.900 -0.044 0.000 1.345 104 G CA -0.287 44.777 45.100 -0.060 0.000 0.871 104 G HN 1.630 nan 8.290 nan 0.000 0.540 105 A N -0.079 122.740 122.820 -0.002 0.000 2.483 105 A HA 0.701 5.020 4.320 -0.001 0.000 0.238 105 A C 1.427 179.061 177.584 0.083 0.000 1.070 105 A CA 1.477 53.503 52.037 -0.019 0.000 0.770 105 A CB 0.122 19.101 19.000 -0.035 0.000 1.008 105 A HN 2.436 nan 8.150 nan 0.000 0.497 106 G N -0.366 108.457 108.800 0.039 0.000 2.508 106 G HA2 0.370 4.329 3.960 -0.001 0.000 0.278 106 G HA3 0.370 4.329 3.960 -0.001 0.000 0.278 106 G C 1.056 176.030 174.900 0.123 0.000 1.389 106 G CA 0.178 45.366 45.100 0.146 0.000 1.050 106 G HN 0.701 nan 8.290 nan 0.000 0.522 107 V N 0.878 120.862 119.914 0.118 0.000 2.255 107 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 107 V C 3.316 179.430 176.094 0.032 0.000 1.051 107 V CA 2.661 65.001 62.300 0.067 0.000 1.018 107 V CB -1.239 30.619 31.823 0.058 0.000 0.641 107 V HN 0.782 nan 8.190 nan 0.000 0.445 108 A N 0.049 122.880 122.820 0.017 0.000 1.858 108 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 108 A C 2.444 180.016 177.584 -0.019 0.000 1.190 108 A CA 2.287 54.322 52.037 -0.003 0.000 0.617 108 A CB -1.007 17.986 19.000 -0.011 0.000 0.827 108 A HN 0.589 nan 8.150 nan 0.000 0.443 109 A N -0.558 122.241 122.820 -0.035 0.000 1.908 109 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 109 A C 2.457 180.015 177.584 -0.043 0.000 1.181 109 A CA 2.220 54.220 52.037 -0.062 0.000 0.627 109 A CB -0.874 18.062 19.000 -0.106 0.000 0.818 109 A HN 0.475 nan 8.150 nan 0.000 0.445 110 S N -0.053 115.639 115.700 -0.014 0.000 2.345 110 S HA -0.011 4.459 4.470 -0.001 0.000 0.220 110 S C 2.341 176.938 174.600 -0.006 0.000 1.031 110 S CA 1.151 59.351 58.200 -0.001 0.000 0.996 110 S CB -0.568 62.649 63.200 0.028 0.000 0.882 110 S HN 0.817 nan 8.310 nan 0.000 0.445 111 A N 1.241 124.060 122.820 -0.002 0.000 1.978 111 A HA -0.006 4.313 4.320 -0.001 0.000 0.220 111 A C 2.095 179.669 177.584 -0.017 0.000 1.170 111 A CA 1.095 53.129 52.037 -0.005 0.000 0.636 111 A CB -0.649 18.352 19.000 0.003 0.000 0.810 111 A HN 0.448 nan 8.150 nan 0.000 0.448 112 L N -0.789 120.419 121.223 -0.025 0.000 2.095 112 L HA -0.083 4.257 4.340 -0.001 0.000 0.204 112 L C 1.423 178.262 176.870 -0.052 0.000 1.080 112 L CA 0.061 54.880 54.840 -0.036 0.000 0.759 112 L CB -0.592 41.441 42.059 -0.042 0.000 0.914 112 L HN 0.389 nan 8.230 nan 0.000 0.439 116 K N 1.294 121.644 120.400 -0.084 0.000 2.360 116 K HA -0.133 4.186 4.320 -0.001 0.000 0.201 116 K C 1.091 177.556 176.600 -0.225 0.000 1.046 116 K CA 1.351 57.547 56.287 -0.151 0.000 0.940 116 K CB 0.347 32.781 32.500 -0.109 0.000 0.748 116 K HN 0.306 nan 8.250 nan 0.000 0.465 117 D N 0.680 121.023 120.400 -0.095 0.000 2.355 117 D HA -0.018 4.622 4.640 -0.001 0.000 0.233 117 D C 1.752 178.049 176.300 -0.006 0.000 0.997 117 D CA 0.545 54.543 54.000 -0.004 0.000 0.920 117 D CB 0.012 40.902 40.800 0.150 0.000 1.063 117 D HN -0.019 nan 8.370 nan 0.000 0.465 118 L N 0.746 121.976 121.223 0.011 0.000 2.042 118 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 118 L C 2.646 179.493 176.870 -0.039 0.000 1.076 118 L CA 1.586 56.435 54.840 0.015 0.000 0.749 118 L CB -0.819 41.246 42.059 0.010 0.000 0.893 118 L HN 0.198 nan 8.230 nan 0.000 0.432 119 S N -0.527 115.114 115.700 -0.098 0.000 2.402 119 S HA -0.169 4.300 4.470 -0.001 0.000 0.229 119 S C 1.915 176.398 174.600 -0.195 0.000 1.021 119 S CA 0.788 58.911 58.200 -0.128 0.000 0.974 119 S CB -0.229 62.887 63.200 -0.141 0.000 0.800 119 S HN 0.387 nan 8.310 nan 0.000 0.484 120 K N 1.135 121.324 120.400 -0.352 0.000 2.062 120 K HA 0.069 4.389 4.320 -0.001 0.000 0.205 120 K C 2.575 179.010 176.600 -0.275 0.000 1.051 120 K CA 1.080 57.007 56.287 -0.600 0.000 0.941 120 K CB -0.154 31.418 32.500 -1.547 0.000 0.719 120 K HN 0.372 nan 8.250 nan 0.000 0.440 121 R N 0.493 120.993 120.500 0.000 0.000 2.081 121 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 121 R C 2.313 178.687 176.300 0.123 0.000 1.131 121 R CA 1.068 57.321 56.100 0.255 0.000 0.960 121 R CB -0.520 29.936 30.300 0.259 0.000 0.856 121 R HN -0.023 nan 8.270 nan 0.000 0.436 122 V N 1.489 121.427 119.914 0.039 0.000 2.270 122 V HA -0.209 3.910 4.120 -0.001 0.000 0.245 122 V C 2.290 178.394 176.094 0.017 0.000 1.043 122 V CA 1.686 63.999 62.300 0.022 0.000 1.014 122 V CB -0.379 31.439 31.823 -0.010 0.000 0.645 122 V HN 0.259 nan 8.190 nan 0.000 0.447 123 L N -0.036 121.177 121.223 -0.016 0.000 2.046 123 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 123 L C 2.739 179.633 176.870 0.039 0.000 1.077 123 L CA 1.611 56.445 54.840 -0.010 0.000 0.747 123 L CB -0.900 41.123 42.059 -0.060 0.000 0.896 123 L HN 0.372 nan 8.230 nan 0.000 0.432 124 A N -0.565 122.302 122.820 0.078 0.000 1.877 124 A HA -0.268 4.052 4.320 -0.001 0.000 0.216 124 A C 2.300 179.956 177.584 0.120 0.000 1.186 124 A CA 1.716 53.843 52.037 0.150 0.000 0.620 124 A CB -0.639 18.542 19.000 0.301 0.000 0.822 124 A HN 0.422 nan 8.150 nan 0.000 0.443 125 Q N -0.050 119.816 119.800 0.109 0.000 2.226 125 Q HA -0.104 4.235 4.340 -0.001 0.000 0.204 125 Q C 1.877 177.914 176.000 0.061 0.000 0.975 125 Q CA 1.661 57.514 55.803 0.082 0.000 0.866 125 Q CB -0.387 28.396 28.738 0.074 0.000 0.915 125 Q HN 0.574 nan 8.270 nan 0.000 0.440 126 A N -1.101 121.751 122.820 0.054 0.000 2.251 126 A HA 0.341 4.660 4.320 -0.001 0.000 0.209 126 A C 1.519 179.132 177.584 0.049 0.000 1.187 126 A CA 1.135 53.198 52.037 0.043 0.000 0.823 126 A CB -0.142 18.877 19.000 0.031 0.000 0.846 126 A HN 0.549 nan 8.150 nan 0.000 0.486 127 G N -1.558 107.278 108.800 0.060 0.000 2.279 127 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.223 127 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.223 127 G C 0.311 175.251 174.900 0.068 0.000 1.015 127 G CA -0.049 45.088 45.100 0.062 0.000 0.621 127 G HN 0.837 nan 8.290 nan 0.000 0.506 128 V N 4.408 124.361 119.914 0.065 0.000 2.509 128 V HA 0.318 4.437 4.120 -0.001 0.000 0.297 128 V C -0.914 175.231 176.094 0.086 0.000 1.014 128 V CA -0.272 62.071 62.300 0.072 0.000 1.127 128 V CB 0.591 32.445 31.823 0.052 0.000 0.925 128 V HN 0.409 nan 8.190 nan 0.000 0.480 129 P HA 0.310 nan 4.420 nan 0.000 0.271 129 P C -0.630 176.786 177.300 0.193 0.000 1.216 129 P CA 0.132 63.315 63.100 0.139 0.000 0.771 129 P CB 1.499 33.232 31.700 0.056 0.000 0.864 130 V N 1.128 121.202 119.914 0.268 0.000 3.141 130 V HA 0.483 4.602 4.120 -0.001 0.000 0.312 130 V C -0.246 176.032 176.094 0.306 0.000 1.157 130 V CA -1.265 61.162 62.300 0.211 0.000 1.041 130 V CB 1.756 33.571 31.823 -0.014 0.000 1.071 130 V HN 0.320 nan 8.190 nan 0.000 0.441 131 V N 2.815 122.801 119.914 0.120 0.000 2.572 131 V HA 0.384 4.503 4.120 -0.001 0.000 0.291 131 V C -1.998 174.151 176.094 0.093 0.000 1.039 131 V CA -1.378 60.868 62.300 -0.090 0.000 1.055 131 V CB 1.000 32.755 31.823 -0.113 0.000 0.969 131 V HN 1.039 nan 8.190 nan 0.000 0.482 132 P HA 0.073 nan 4.420 nan 0.000 0.263 132 P C -1.159 176.161 177.300 0.034 0.000 1.175 132 P CA 0.744 63.829 63.100 -0.025 0.000 0.761 132 P CB 0.102 31.603 31.700 -0.332 0.000 0.794 133 W N 2.076 123.361 121.300 -0.026 0.000 2.988 133 W HA 0.723 5.382 4.660 -0.001 0.000 0.355 133 W C -2.506 174.145 176.519 0.219 0.000 1.233 133 W CA -0.825 56.597 57.345 0.130 0.000 1.176 133 W CB 0.771 30.268 29.460 0.063 0.000 1.477 133 W HN 0.173 nan 8.180 nan 0.000 0.582 134 V N 1.830 121.741 119.914 -0.005 0.000 2.932 134 V HA 0.774 4.894 4.120 -0.001 0.000 0.307 134 V C -0.718 175.437 176.094 0.101 0.000 1.147 134 V CA -0.569 61.620 62.300 -0.184 0.000 0.951 134 V CB 1.791 33.523 31.823 -0.152 0.000 1.031 134 V HN 1.066 nan 8.190 nan 0.000 0.426 135 A N 4.004 126.879 122.820 0.091 0.000 2.305 135 A HA 0.890 5.210 4.320 -0.001 0.000 0.322 135 A C -1.047 176.602 177.584 0.107 0.000 1.187 135 A CA -0.466 51.677 52.037 0.176 0.000 0.825 135 A CB 1.412 20.542 19.000 0.216 0.000 1.164 135 A HN 0.834 nan 8.150 nan 0.000 0.498 136 V N 3.422 123.427 119.914 0.151 0.000 2.577 136 V HA 0.447 4.566 4.120 -0.001 0.000 0.303 136 V C 0.005 176.287 176.094 0.314 0.000 1.042 136 V CA -0.605 61.808 62.300 0.188 0.000 0.872 136 V CB 1.650 33.580 31.823 0.177 0.000 0.998 136 V HN 1.005 nan 8.190 nan 0.000 0.423 137 R N 2.168 122.762 120.500 0.158 0.000 2.598 137 R HA 0.459 4.799 4.340 -0.001 0.000 0.279 137 R C -0.053 176.004 176.300 -0.406 0.000 0.984 137 R CA -0.948 55.118 56.100 -0.057 0.000 0.999 137 R CB 1.656 31.915 30.300 -0.069 0.000 1.114 137 R HN 0.633 nan 8.270 nan 0.000 0.493 138 K N 0.887 120.599 120.400 -1.147 0.000 2.491 138 K HA -0.059 4.260 4.320 -0.001 0.000 0.279 138 K C 0.519 176.864 176.600 -0.426 0.000 1.026 138 K CA 1.396 56.911 56.287 -1.287 0.000 1.070 138 K CB 0.131 32.009 32.500 -1.038 0.000 0.887 138 K HN 0.831 nan 8.250 nan 0.000 0.481 139 G N 2.834 111.515 108.800 -0.199 0.000 2.194 139 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.236 139 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.236 139 G C -0.370 174.515 174.900 -0.025 0.000 0.987 139 G CA 0.416 45.471 45.100 -0.076 0.000 0.635 139 G HN 0.745 nan 8.290 nan 0.000 0.520 140 E N 0.805 121.001 120.200 -0.007 0.000 2.183 140 E HA 0.634 4.983 4.350 -0.001 0.000 0.271 140 E C -2.925 173.708 176.600 0.056 0.000 0.919 140 E CA -2.483 53.929 56.400 0.020 0.000 0.781 140 E CB 1.909 31.614 29.700 0.008 0.000 1.140 140 E HN 0.059 nan 8.360 nan 0.000 0.402 141 P HA 0.084 nan 4.420 nan 0.000 0.258 141 P C -2.369 174.950 177.300 0.031 0.000 1.187 141 P CA -0.551 62.570 63.100 0.035 0.000 0.767 141 P CB -0.152 31.557 31.700 0.015 0.000 0.770 142 P HA 0.046 nan 4.420 nan 0.000 0.267 142 P C -0.727 176.564 177.300 -0.014 0.000 1.209 142 P CA 0.322 63.431 63.100 0.015 0.000 0.763 142 P CB 0.481 32.196 31.700 0.024 0.000 0.816 143 V N 5.231 125.113 119.914 -0.055 0.000 2.276 143 V HA 0.123 4.242 4.120 -0.001 0.000 0.268 143 V C -0.049 175.947 176.094 -0.162 0.000 1.032 143 V CA -0.543 61.709 62.300 -0.079 0.000 0.810 143 V CB 1.526 33.308 31.823 -0.068 0.000 1.060 143 V HN 0.220 nan 8.190 nan 0.000 0.446 144 V N 7.591 127.390 119.914 -0.191 0.000 2.334 144 V HA 0.273 4.392 4.120 -0.001 0.000 0.267 144 V C -0.708 175.169 176.094 -0.362 0.000 1.040 144 V CA -1.012 61.002 62.300 -0.477 0.000 0.866 144 V CB 1.629 33.063 31.823 -0.649 0.000 1.019 144 V HN 0.678 nan 8.190 nan 0.000 0.468 145 P HA 0.047 nan 4.420 nan 0.000 0.247 145 P C -0.285 177.068 177.300 0.089 0.000 1.225 145 P CA 0.488 63.546 63.100 -0.070 0.000 0.768 145 P CB -0.146 31.567 31.700 0.022 0.000 1.020 146 F N -2.028 117.979 119.950 0.096 0.000 2.599 146 F HA 0.586 5.112 4.527 -0.001 0.000 0.311 146 F C -0.271 175.703 175.800 0.290 0.000 1.076 146 F CA -1.822 56.262 58.000 0.140 0.000 0.937 146 F CB 0.583 39.634 39.000 0.085 0.000 1.282 146 F HN -0.380 nan 8.300 nan 0.000 0.460 147 D N 1.736 122.409 120.400 0.456 0.000 2.358 147 D HA 0.311 4.950 4.640 -0.001 0.000 0.244 147 D C -2.360 174.137 176.300 0.328 0.000 1.163 147 D CA -0.813 53.451 54.000 0.440 0.000 0.945 147 D CB 1.025 42.005 40.800 0.300 0.000 1.152 147 D HN 0.275 nan 8.370 nan 0.000 0.451 148 P HA 0.167 nan 4.420 nan 0.000 0.273 148 P C -2.320 174.868 177.300 -0.186 0.000 1.250 148 P CA -0.775 62.066 63.100 -0.431 0.000 0.793 148 P CB -0.171 31.104 31.700 -0.707 0.000 1.011 149 P HA 0.361 nan 4.420 nan 0.000 0.279 149 P C -1.203 175.855 177.300 -0.403 0.000 1.252 149 P CA -0.079 62.707 63.100 -0.522 0.000 0.811 149 P CB 0.674 32.130 31.700 -0.407 0.000 1.035 150 F N -2.072 117.693 119.950 -0.309 0.000 2.741 150 F HA 0.624 5.150 4.527 -0.001 0.000 0.313 150 F C -1.500 174.065 175.800 -0.391 0.000 1.153 150 F CA -1.395 56.458 58.000 -0.245 0.000 0.931 150 F CB 0.770 39.830 39.000 0.100 0.000 1.335 150 F HN -0.010 nan 8.300 nan 0.000 0.460 151 F N 1.437 121.584 119.950 0.329 0.000 2.422 151 F HA 0.699 5.225 4.527 -0.001 0.000 0.333 151 F C -0.217 175.682 175.800 0.164 0.000 1.095 151 F CA -1.119 56.987 58.000 0.177 0.000 1.038 151 F CB 1.979 41.028 39.000 0.082 0.000 1.156 151 F HN 0.282 nan 8.300 nan 0.000 0.483 152 V N 4.186 124.270 119.914 0.284 0.000 2.448 152 V HA 0.546 4.666 4.120 -0.001 0.000 0.295 152 V C -0.572 175.557 176.094 0.059 0.000 1.025 152 V CA -0.836 61.535 62.300 0.119 0.000 0.859 152 V CB 1.645 33.492 31.823 0.040 0.000 0.988 152 V HN 0.775 nan 8.190 nan 0.000 0.431 153 K N 5.111 125.523 120.400 0.020 0.000 2.556 153 K HA 0.612 4.931 4.320 -0.001 0.000 0.274 153 K C -3.377 173.210 176.600 -0.022 0.000 0.966 153 K CA -1.835 54.434 56.287 -0.030 0.000 0.865 153 K CB 2.633 35.121 32.500 -0.020 0.000 1.444 153 K HN 0.309 nan 8.250 nan 0.000 0.433 154 P HA -0.025 nan 4.420 nan 0.000 0.269 154 P C 0.324 177.650 177.300 0.044 0.000 1.215 154 P CA 0.074 63.197 63.100 0.038 0.000 0.780 154 P CB 1.034 32.768 31.700 0.056 0.000 0.898 155 A N 3.879 126.744 122.820 0.076 0.000 1.873 155 A HA -0.189 4.131 4.320 -0.001 0.000 0.215 155 A C 1.288 178.885 177.584 0.021 0.000 1.186 155 A CA 2.015 54.084 52.037 0.054 0.000 0.616 155 A CB -1.254 17.793 19.000 0.078 0.000 0.823 155 A HN 0.744 nan 8.150 nan 0.000 0.442 156 N N -1.927 116.789 118.700 0.026 0.000 2.338 156 N HA 0.148 4.888 4.740 -0.001 0.000 0.251 156 N C -0.566 174.943 175.510 -0.001 0.000 1.199 156 N CA 0.218 53.270 53.050 0.003 0.000 0.879 156 N CB 0.179 38.664 38.487 -0.002 0.000 1.159 156 N HN -0.005 nan 8.380 nan 0.000 0.514 157 T N 0.256 114.820 114.554 0.018 0.000 3.383 157 T HA 0.321 4.670 4.350 -0.001 0.000 0.324 157 T C 0.777 175.482 174.700 0.009 0.000 1.822 157 T CA -0.749 61.368 62.100 0.029 0.000 1.424 157 T CB -0.181 68.752 68.868 0.109 0.000 1.093 157 T HN 0.430 nan 8.240 nan 0.000 0.748 158 G N 1.563 110.357 108.800 -0.010 0.000 2.513 158 G HA2 0.261 4.220 3.960 -0.001 0.000 0.290 158 G HA3 0.261 4.220 3.960 -0.001 0.000 0.290 158 G C 0.350 175.242 174.900 -0.012 0.000 0.708 158 G CA 0.095 45.183 45.100 -0.019 0.000 2.012 158 G HN 0.552 nan 8.290 nan 0.000 0.493 159 S N 0.221 115.909 115.700 -0.019 0.000 3.629 159 S HA 0.650 5.120 4.470 -0.001 0.000 0.319 159 S C 1.082 175.657 174.600 -0.043 0.000 1.149 159 S CA 0.354 58.544 58.200 -0.016 0.000 1.099 159 S CB 0.740 63.949 63.200 0.016 0.000 1.433 159 S HN 0.262 nan 8.310 nan 0.000 0.736 160 S N 0.013 115.688 115.700 -0.041 0.000 2.728 160 S HA 0.317 4.786 4.470 -0.001 0.000 0.257 160 S C -0.260 174.296 174.600 -0.072 0.000 1.060 160 S CA -0.079 58.083 58.200 -0.064 0.000 1.126 160 S CB 1.056 64.225 63.200 -0.052 0.000 1.099 160 S HN 0.547 nan 8.310 nan 0.000 0.617 161 V N 2.215 122.093 119.914 -0.060 0.000 2.530 161 V HA 0.564 4.683 4.120 -0.001 0.000 0.282 161 V C 1.150 177.036 176.094 -0.347 0.000 1.048 161 V CA 1.506 63.747 62.300 -0.099 0.000 0.997 161 V CB 0.485 32.353 31.823 0.075 0.000 0.987 161 V HN 0.649 nan 8.190 nan 0.000 0.477 162 G N 5.561 114.094 108.800 -0.445 0.000 2.234 162 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.235 162 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.235 162 G C 0.244 174.977 174.900 -0.280 0.000 0.997 162 G CA 0.120 44.854 45.100 -0.609 0.000 0.623 162 G HN 0.791 nan 8.290 nan 0.000 0.514 163 I N 1.907 122.373 120.570 -0.173 0.000 2.692 163 I HA 0.437 4.606 4.170 -0.001 0.000 0.284 163 I C 0.373 176.487 176.117 -0.005 0.000 1.159 163 I CA 0.441 61.704 61.300 -0.060 0.000 1.423 163 I CB 1.174 39.145 38.000 -0.050 0.000 1.380 163 I HN 0.148 nan 8.210 nan 0.000 0.580 164 S N 5.060 120.803 115.700 0.073 0.000 2.536 164 S HA 0.419 4.889 4.470 -0.001 0.000 0.271 164 S C -0.643 174.026 174.600 0.115 0.000 1.134 164 S CA -0.850 57.387 58.200 0.062 0.000 0.897 164 S CB 2.170 65.367 63.200 -0.006 0.000 1.094 164 S HN 0.549 nan 8.310 nan 0.000 0.473 165 R N 2.417 122.931 120.500 0.024 0.000 2.215 165 R HA 0.516 4.855 4.340 -0.001 0.000 0.337 165 R C -1.178 174.973 176.300 -0.249 0.000 1.010 165 R CA -0.283 55.698 56.100 -0.199 0.000 0.871 165 R CB 0.280 30.437 30.300 -0.237 0.000 1.134 165 R HN 0.489 nan 8.270 nan 0.000 0.477 166 V N 4.379 124.098 119.914 -0.325 0.000 2.498 166 V HA 0.103 4.222 4.120 -0.001 0.000 0.279 166 V C 0.741 176.472 176.094 -0.605 0.000 1.048 166 V CA -0.128 61.932 62.300 -0.399 0.000 0.967 166 V CB 1.535 33.145 31.823 -0.355 0.000 0.988 166 V HN 0.819 nan 8.190 nan 0.000 0.473 167 E N 2.615 122.561 120.200 -0.424 0.000 2.372 167 E HA 0.216 4.565 4.350 -0.001 0.000 0.201 167 E C 0.290 176.689 176.600 -0.336 0.000 0.938 167 E CA 0.332 56.504 56.400 -0.379 0.000 0.944 167 E CB 0.514 30.073 29.700 -0.234 0.000 0.937 167 E HN 0.660 nan 8.360 nan 0.000 0.495 168 R N -1.114 119.223 120.500 -0.273 0.000 2.628 168 R HA 0.334 4.674 4.340 -0.001 0.000 0.288 168 R C -0.130 176.112 176.300 -0.096 0.000 0.980 168 R CA -0.468 55.552 56.100 -0.134 0.000 0.891 168 R CB 0.589 30.861 30.300 -0.045 0.000 1.188 168 R HN -0.066 nan 8.270 nan 0.000 0.450 169 F N 1.685 121.604 119.950 -0.053 0.000 2.225 169 F HA -0.291 4.235 4.527 -0.001 0.000 0.302 169 F C 2.406 178.212 175.800 0.010 0.000 1.068 169 F CA 1.850 59.865 58.000 0.025 0.000 1.327 169 F CB 0.023 39.042 39.000 0.031 0.000 1.043 169 F HN 0.612 nan 8.300 nan 0.000 0.506 170 Q N -0.351 119.541 119.800 0.153 0.000 2.291 170 Q HA -0.191 4.148 4.340 -0.001 0.000 0.206 170 Q C 0.541 176.565 176.000 0.041 0.000 0.976 170 Q CA 1.900 57.752 55.803 0.082 0.000 0.875 170 Q CB -0.490 28.276 28.738 0.048 0.000 0.927 170 Q HN 0.330 nan 8.270 nan 0.000 0.450 171 D N 0.340 120.745 120.400 0.008 0.000 2.349 171 D HA 0.139 4.778 4.640 -0.001 0.000 0.214 171 D C 1.387 177.680 176.300 -0.011 0.000 1.063 171 D CA -0.105 53.884 54.000 -0.017 0.000 0.847 171 D CB 0.339 41.107 40.800 -0.054 0.000 0.933 171 D HN 0.146 nan 8.370 nan 0.000 0.513 172 L N 0.671 121.908 121.223 0.023 0.000 1.994 172 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 172 L C 1.872 178.743 176.870 0.003 0.000 1.071 172 L CA 1.557 56.422 54.840 0.041 0.000 0.745 172 L CB -0.042 42.072 42.059 0.092 0.000 0.892 172 L HN 0.041 nan 8.230 nan 0.000 0.431 173 E N -0.122 120.091 120.200 0.023 0.000 2.086 173 E HA -0.336 4.014 4.350 -0.001 0.000 0.205 173 E C 2.057 178.648 176.600 -0.014 0.000 1.027 173 E CA 1.688 58.097 56.400 0.015 0.000 0.830 173 E CB -0.322 29.398 29.700 0.034 0.000 0.751 173 E HN 0.654 nan 8.360 nan 0.000 0.456 174 A N 1.016 123.829 122.820 -0.012 0.000 1.930 174 A HA -0.040 4.279 4.320 -0.001 0.000 0.217 174 A C 2.346 179.898 177.584 -0.053 0.000 1.175 174 A CA 1.557 53.582 52.037 -0.020 0.000 0.627 174 A CB -0.554 18.438 19.000 -0.013 0.000 0.815 174 A HN 0.306 nan 8.150 nan 0.000 0.443 175 A N -0.076 122.705 122.820 -0.065 0.000 1.877 175 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 175 A C 2.120 179.592 177.584 -0.186 0.000 1.186 175 A CA 1.473 53.456 52.037 -0.090 0.000 0.620 175 A CB -0.619 18.352 19.000 -0.049 0.000 0.822 175 A HN 0.461 nan 8.150 nan 0.000 0.443 176 L N -0.785 120.277 121.223 -0.267 0.000 2.201 176 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 176 L C 3.012 179.488 176.870 -0.656 0.000 1.105 176 L CA 0.800 55.260 54.840 -0.634 0.000 0.775 176 L CB -0.478 41.208 42.059 -0.622 0.000 0.913 176 L HN 0.457 nan 8.230 nan 0.000 0.440 177 A N 0.046 122.733 122.820 -0.221 0.000 1.930 177 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 177 A C 2.186 179.778 177.584 0.013 0.000 1.175 177 A CA 1.492 53.520 52.037 -0.015 0.000 0.627 177 A CB -0.506 18.511 19.000 0.028 0.000 0.815 177 A HN 0.319 nan 8.150 nan 0.000 0.443 178 L N -0.207 120.987 121.223 -0.049 0.000 1.988 178 L HA 0.000 4.339 4.340 -0.001 0.000 0.207 178 L C 2.677 179.541 176.870 -0.011 0.000 1.071 178 L CA 2.348 57.180 54.840 -0.014 0.000 0.744 178 L CB -0.916 41.103 42.059 -0.067 0.000 0.893 178 L HN 0.306 nan 8.230 nan 0.000 0.433 179 A N -0.817 121.923 122.820 -0.133 0.000 1.908 179 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 179 A C 2.262 179.941 177.584 0.158 0.000 1.181 179 A CA 1.842 53.816 52.037 -0.105 0.000 0.627 179 A CB -1.334 17.558 19.000 -0.180 0.000 0.818 179 A HN 0.560 nan 8.150 nan 0.000 0.445 180 F N -0.701 119.295 119.950 0.076 0.000 2.529 180 F HA -0.124 4.402 4.527 -0.001 0.000 0.297 180 F C 2.347 178.217 175.800 0.117 0.000 1.114 180 F CA 0.412 58.462 58.000 0.083 0.000 1.467 180 F CB -0.016 39.018 39.000 0.056 0.000 1.096 180 F HN 0.197 nan 8.300 nan 0.000 0.586 181 R N -1.558 119.163 120.500 0.368 0.000 2.317 181 R HA -0.004 4.335 4.340 -0.001 0.000 0.208 181 R C 0.583 177.052 176.300 0.281 0.000 0.914 181 R CA 0.375 56.652 56.100 0.296 0.000 1.060 181 R CB 0.148 30.619 30.300 0.285 0.000 1.015 181 R HN 0.287 nan 8.270 nan 0.000 0.498 182 Y N -1.171 119.175 120.300 0.077 0.000 2.589 182 Y HA 0.251 4.800 4.550 -0.001 0.000 0.271 182 Y C 0.033 175.959 175.900 0.044 0.000 1.107 182 Y CA -0.636 57.490 58.100 0.043 0.000 1.273 182 Y CB 0.875 39.352 38.460 0.029 0.000 1.266 182 Y HN -0.144 nan 8.280 nan 0.000 0.504 183 D N -1.111 119.442 120.400 0.256 0.000 2.886 183 D HA 0.130 4.769 4.640 -0.001 0.000 0.216 183 D C -0.034 176.378 176.300 0.186 0.000 1.256 183 D CA -0.167 53.934 54.000 0.168 0.000 0.844 183 D CB 1.699 42.587 40.800 0.146 0.000 1.669 183 D HN -0.122 nan 8.370 nan 0.000 0.513 184 E N 1.250 121.495 120.200 0.075 0.000 2.401 184 E HA -0.029 4.321 4.350 -0.001 0.000 0.199 184 E C -0.071 176.516 176.600 -0.021 0.000 1.023 184 E CA 0.865 57.241 56.400 -0.040 0.000 0.859 184 E CB 0.142 29.797 29.700 -0.075 0.000 0.780 184 E HN 0.286 nan 8.360 nan 0.000 0.523 185 K N -0.634 119.843 120.400 0.129 0.000 2.316 185 K HA 0.675 4.994 4.320 -0.001 0.000 0.251 185 K C -1.417 175.344 176.600 0.269 0.000 0.934 185 K CA -0.683 55.716 56.287 0.187 0.000 0.802 185 K CB 1.649 34.216 32.500 0.111 0.000 1.171 185 K HN -0.018 nan 8.250 nan 0.000 0.426 186 A N 2.080 125.086 122.820 0.311 0.000 2.527 186 A HA 0.739 5.059 4.320 -0.001 0.000 0.293 186 A C -1.231 176.444 177.584 0.152 0.000 1.117 186 A CA -0.689 51.458 52.037 0.183 0.000 0.723 186 A CB 1.535 20.574 19.000 0.064 0.000 1.313 186 A HN 0.589 nan 8.150 nan 0.000 0.411 187 V N -1.615 118.369 119.914 0.117 0.000 2.823 187 V HA 0.867 4.986 4.120 -0.001 0.000 0.312 187 V C -0.880 175.297 176.094 0.138 0.000 1.072 187 V CA -0.775 61.630 62.300 0.175 0.000 0.937 187 V CB 1.382 33.326 31.823 0.201 0.000 1.013 187 V HN 0.804 nan 8.190 nan 0.000 0.430 188 V N 3.195 123.202 119.914 0.155 0.000 2.378 188 V HA 0.551 4.671 4.120 -0.001 0.000 0.288 188 V C -0.192 176.087 176.094 0.307 0.000 1.016 188 V CA -0.325 62.021 62.300 0.076 0.000 0.840 188 V CB 1.051 32.706 31.823 -0.280 0.000 0.994 188 V HN 1.041 nan 8.190 nan 0.000 0.431 189 E N 3.091 123.491 120.200 0.333 0.000 2.183 189 E HA 0.383 4.733 4.350 -0.001 0.000 0.271 189 E C -0.612 176.132 176.600 0.240 0.000 0.919 189 E CA -0.941 55.636 56.400 0.295 0.000 0.781 189 E CB 2.492 32.349 29.700 0.262 0.000 1.140 189 E HN 0.481 nan 8.360 nan 0.000 0.402 190 K N 1.906 122.200 120.400 -0.176 0.000 2.436 190 K HA 0.153 4.473 4.320 -0.001 0.000 0.282 190 K C -0.518 176.055 176.600 -0.044 0.000 1.044 190 K CA -0.151 56.008 56.287 -0.214 0.000 1.028 190 K CB 0.446 32.562 32.500 -0.640 0.000 0.919 190 K HN 0.585 nan 8.250 nan 0.000 0.474 191 A N 5.498 128.313 122.820 -0.007 0.000 2.450 191 A HA 0.274 4.593 4.320 -0.001 0.000 0.255 191 A C -0.289 177.231 177.584 -0.106 0.000 1.096 191 A CA -0.309 51.693 52.037 -0.059 0.000 0.778 191 A CB 0.192 18.985 19.000 -0.346 0.000 1.031 191 A HN 0.759 nan 8.150 nan 0.000 0.494 192 L N 1.843 122.984 121.223 -0.137 0.000 2.331 192 L HA 0.753 5.092 4.340 -0.001 0.000 0.275 192 L C 0.323 177.113 176.870 -0.133 0.000 1.022 192 L CA -0.350 54.389 54.840 -0.169 0.000 0.812 192 L CB 1.985 43.889 42.059 -0.257 0.000 1.257 192 L HN 0.756 nan 8.230 nan 0.000 0.435 193 S N 1.648 117.298 115.700 -0.083 0.000 2.602 193 S HA 0.437 4.906 4.470 -0.001 0.000 0.301 193 S C -2.664 171.919 174.600 -0.028 0.000 1.091 193 S CA -0.967 57.200 58.200 -0.056 0.000 0.895 193 S CB 1.027 64.193 63.200 -0.056 0.000 1.090 193 S HN 0.471 nan 8.310 nan 0.000 0.449 194 P HA 0.538 nan 4.420 nan 0.000 0.270 194 P C -1.299 175.999 177.300 -0.003 0.000 1.223 194 P CA -0.565 62.532 63.100 -0.004 0.000 0.785 194 P CB 0.662 32.369 31.700 0.011 0.000 0.923 195 V N 1.109 121.023 119.914 0.001 0.000 2.852 195 V HA 0.409 4.528 4.120 -0.001 0.000 0.300 195 V C -1.251 174.889 176.094 0.076 0.000 1.205 195 V CA -0.742 61.565 62.300 0.011 0.000 0.940 195 V CB 1.931 33.672 31.823 -0.136 0.000 1.047 195 V HN 0.503 nan 8.190 nan 0.000 0.429 196 R N 4.100 124.682 120.500 0.136 0.000 2.540 196 R HA 0.637 4.976 4.340 -0.001 0.000 0.287 196 R C -0.802 175.655 176.300 0.261 0.000 0.980 196 R CA -0.621 55.576 56.100 0.161 0.000 0.966 196 R CB 1.818 32.184 30.300 0.110 0.000 1.106 196 R HN 0.721 nan 8.270 nan 0.000 0.480 197 E N 3.348 123.693 120.200 0.242 0.000 2.109 197 E HA 0.269 4.618 4.350 -0.001 0.000 0.278 197 E C -0.684 176.002 176.600 0.144 0.000 0.954 197 E CA -0.344 56.210 56.400 0.257 0.000 0.779 197 E CB 1.344 31.203 29.700 0.265 0.000 1.093 197 E HN 0.224 nan 8.360 nan 0.000 0.401 198 L N 2.536 123.845 121.223 0.143 0.000 2.334 198 L HA 0.506 4.846 4.340 -0.001 0.000 0.276 198 L C 0.010 176.943 176.870 0.105 0.000 1.014 198 L CA -0.699 54.190 54.840 0.080 0.000 0.815 198 L CB 1.545 43.626 42.059 0.035 0.000 1.268 198 L HN 0.449 nan 8.230 nan 0.000 0.428 199 E N 1.642 121.865 120.200 0.039 0.000 2.293 199 E HA 0.624 4.973 4.350 -0.001 0.000 0.270 199 E C -1.568 175.017 176.600 -0.026 0.000 0.879 199 E CA -0.610 55.815 56.400 0.042 0.000 0.756 199 E CB 3.619 33.317 29.700 -0.004 0.000 1.208 199 E HN 0.248 nan 8.360 nan 0.000 0.428 200 V N 1.399 121.318 119.914 0.009 0.000 2.841 200 V HA 0.770 4.889 4.120 -0.001 0.000 0.310 200 V C -0.502 175.534 176.094 -0.096 0.000 1.090 200 V CA -0.336 61.906 62.300 -0.097 0.000 0.930 200 V CB 1.981 33.763 31.823 -0.068 0.000 1.014 200 V HN 0.734 nan 8.190 nan 0.000 0.425 201 G N 3.883 112.494 108.800 -0.315 0.000 2.425 201 G HA2 0.626 4.585 3.960 -0.001 0.000 0.302 201 G HA3 0.626 4.585 3.960 -0.001 0.000 0.302 201 G C -1.219 173.743 174.900 0.103 0.000 1.159 201 G CA -0.472 44.521 45.100 -0.179 0.000 0.865 201 G HN 0.959 nan 8.290 nan 0.000 0.515 202 V N 1.241 121.415 119.914 0.434 0.000 2.789 202 V HA 0.651 4.770 4.120 -0.001 0.000 0.311 202 V C -0.814 175.408 176.094 0.214 0.000 1.073 202 V CA -0.729 61.665 62.300 0.158 0.000 0.921 202 V CB 1.802 33.383 31.823 -0.403 0.000 1.009 202 V HN 0.741 nan 8.190 nan 0.000 0.426 203 L N 3.108 124.369 121.223 0.063 0.000 2.455 203 L HA 1.033 5.372 4.340 -0.001 0.000 0.264 203 L C -0.146 176.715 176.870 -0.015 0.000 0.968 203 L CA 0.947 55.768 54.840 -0.031 0.000 0.827 203 L CB 1.933 43.808 42.059 -0.307 0.000 1.317 203 L HN 1.157 nan 8.230 nan 0.000 0.407 204 G N 2.546 111.385 108.800 0.065 0.000 2.355 204 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.619 204 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.619 204 G C -1.794 173.242 174.900 0.226 0.000 1.337 204 G CA -0.986 44.182 45.100 0.113 0.000 0.993 204 G HN 0.662 nan 8.290 nan 0.000 0.599 205 N N 0.716 119.528 118.700 0.187 0.000 2.457 205 N HA 0.499 5.238 4.740 -0.001 0.000 0.250 205 N C 1.489 177.109 175.510 0.184 0.000 0.982 205 N CA 0.507 53.654 53.050 0.161 0.000 0.941 205 N CB 1.644 40.180 38.487 0.081 0.000 1.120 205 N HN 1.219 nan 8.380 nan 0.000 0.505 206 V N 1.226 121.209 119.914 0.114 0.000 0.524 206 V HA -0.366 3.753 4.120 -0.001 0.000 0.092 206 V C 0.103 176.114 176.094 -0.138 0.000 2.204 206 V CA 1.641 63.881 62.300 -0.101 0.000 3.556 206 V CB -1.287 30.402 31.823 -0.222 0.000 0.846 206 V HN 0.591 nan 8.190 nan 0.000 0.884 207 F N 1.937 121.987 119.950 0.168 0.000 2.303 207 F HA 0.695 5.221 4.527 -0.001 0.000 0.368 207 F C 0.861 176.722 175.800 0.102 0.000 1.105 207 F CA 0.491 58.567 58.000 0.125 0.000 1.153 207 F CB 0.973 40.017 39.000 0.073 0.000 1.362 207 F HN 0.285 nan 8.300 nan 0.000 0.511 208 G N 2.160 111.051 108.800 0.151 0.000 2.753 208 G HA2 0.650 4.609 3.960 -0.001 0.000 0.285 208 G HA3 0.650 4.609 3.960 -0.001 0.000 0.285 208 G C -1.202 173.706 174.900 0.013 0.000 1.344 208 G CA -0.748 44.355 45.100 0.006 0.000 1.050 208 G HN 0.531 nan 8.290 nan 0.000 0.532 209 E N -1.298 118.912 120.200 0.017 0.000 2.238 209 E HA 0.664 5.013 4.350 -0.001 0.000 0.267 209 E C -0.560 176.104 176.600 0.107 0.000 0.887 209 E CA -1.036 55.408 56.400 0.073 0.000 0.769 209 E CB 2.090 31.860 29.700 0.116 0.000 1.187 209 E HN 0.573 nan 8.360 nan 0.000 0.416 210 A N 2.062 124.909 122.820 0.045 0.000 2.304 210 A HA 0.516 4.835 4.320 -0.001 0.000 0.301 210 A C 0.278 177.784 177.584 -0.129 0.000 1.132 210 A CA -0.359 51.660 52.037 -0.031 0.000 0.819 210 A CB 0.929 19.889 19.000 -0.067 0.000 1.094 210 A HN 0.784 nan 8.150 nan 0.000 0.492 211 S N 1.773 117.198 115.700 -0.459 0.000 2.671 211 S HA 0.698 5.167 4.470 -0.001 0.000 0.272 211 S C -2.717 171.639 174.600 -0.407 0.000 1.174 211 S CA -1.224 56.527 58.200 -0.748 0.000 1.004 211 S CB 0.223 62.449 63.200 -1.624 0.000 1.077 211 S HN 0.446 nan 8.310 nan 0.000 0.553 212 P HA 0.311 nan 4.420 nan 0.000 0.274 212 P C -1.081 176.077 177.300 -0.238 0.000 1.246 212 P CA -0.606 62.356 63.100 -0.229 0.000 0.795 212 P CB 0.361 31.953 31.700 -0.181 0.000 1.006 213 V N 1.234 121.039 119.914 -0.181 0.000 2.498 213 V HA 0.561 4.680 4.120 -0.001 0.000 0.279 213 V C 0.966 176.975 176.094 -0.143 0.000 1.048 213 V CA 0.146 62.346 62.300 -0.166 0.000 0.967 213 V CB 0.589 32.318 31.823 -0.156 0.000 0.988 213 V HN 0.730 nan 8.190 nan 0.000 0.473 214 G N 3.188 111.907 108.800 -0.135 0.000 2.644 214 G HA2 0.713 4.672 3.960 -0.001 0.000 0.307 214 G HA3 0.713 4.672 3.960 -0.001 0.000 0.307 214 G C -1.224 173.630 174.900 -0.076 0.000 1.250 214 G CA -0.465 44.568 45.100 -0.112 0.000 0.996 214 G HN 0.689 nan 8.290 nan 0.000 0.489 215 E N -0.886 119.275 120.200 -0.066 0.000 2.340 215 E HA 0.546 4.895 4.350 -0.001 0.000 0.273 215 E C -1.480 175.086 176.600 -0.057 0.000 0.891 215 E CA -0.669 55.707 56.400 -0.039 0.000 0.757 215 E CB 2.643 32.327 29.700 -0.027 0.000 1.231 215 E HN 0.248 nan 8.360 nan 0.000 0.439 216 V N 3.401 123.290 119.914 -0.042 0.000 2.417 216 V HA 0.563 4.682 4.120 -0.001 0.000 0.291 216 V C -0.419 175.613 176.094 -0.103 0.000 1.024 216 V CA -0.642 61.587 62.300 -0.118 0.000 0.861 216 V CB 1.484 33.235 31.823 -0.120 0.000 0.985 216 V HN 0.591 nan 8.190 nan 0.000 0.436 217 R N 3.017 123.403 120.500 -0.190 0.000 2.513 217 R HA 0.565 4.904 4.340 -0.001 0.000 0.301 217 R C -1.645 174.530 176.300 -0.209 0.000 0.968 217 R CA -0.639 55.405 56.100 -0.093 0.000 0.872 217 R CB 1.285 31.556 30.300 -0.049 0.000 1.177 217 R HN 0.594 nan 8.270 nan 0.000 0.444 218 Y N 1.280 121.591 120.300 0.017 0.000 2.323 218 Y HA 0.335 4.884 4.550 -0.001 0.000 0.331 218 Y C 0.789 176.696 175.900 0.012 0.000 1.092 218 Y CA -0.346 57.766 58.100 0.019 0.000 1.150 218 Y CB 1.293 39.771 38.460 0.030 0.000 1.200 218 Y HN 0.441 nan 8.280 nan 0.000 0.472 219 E N 1.243 121.515 120.200 0.119 0.000 2.351 219 E HA 0.542 4.891 4.350 -0.001 0.000 0.255 219 E C -0.384 176.272 176.600 0.093 0.000 1.188 219 E CA -0.803 55.633 56.400 0.058 0.000 0.940 219 E CB 0.701 30.388 29.700 -0.021 0.000 1.094 219 E HN 0.742 nan 8.360 nan 0.000 0.474 220 A N 2.164 125.017 122.820 0.055 0.000 2.466 220 A HA 0.195 4.514 4.320 -0.001 0.000 0.238 220 A C -2.003 175.668 177.584 0.144 0.000 1.074 220 A CA -0.935 51.149 52.037 0.079 0.000 0.774 220 A CB -0.425 18.605 19.000 0.050 0.000 1.015 220 A HN 0.343 nan 8.150 nan 0.000 0.498 221 P HA 0.472 nan 4.420 nan 0.000 0.275 221 P C -0.983 176.522 177.300 0.342 0.000 1.228 221 P CA 0.187 63.438 63.100 0.252 0.000 0.786 221 P CB 0.660 32.435 31.700 0.124 0.000 0.927 232 G N 2.589 111.587 108.800 0.329 0.000 2.134 232 G HA2 0.044 4.003 3.960 -0.001 0.000 0.246 232 G HA3 0.044 4.003 3.960 -0.001 0.000 0.246 232 G C 0.469 175.530 174.900 0.268 0.000 1.024 232 G CA -0.142 45.141 45.100 0.305 0.000 0.895 232 G HN 0.587 nan 8.290 nan 0.000 0.420 233 R N 1.794 122.387 120.500 0.156 0.000 2.537 233 R HA 0.469 4.808 4.340 -0.001 0.000 0.280 233 R C 0.224 176.528 176.300 0.007 0.000 1.058 233 R CA -0.081 56.072 56.100 0.088 0.000 1.057 233 R CB 0.690 30.994 30.300 0.007 0.000 0.973 233 R HN 0.452 nan 8.270 nan 0.000 0.438 234 A N 3.886 126.667 122.820 -0.065 0.000 2.396 234 A HA 0.129 4.449 4.320 -0.001 0.000 0.279 234 A C -0.215 177.211 177.584 -0.262 0.000 1.165 234 A CA -0.561 51.258 52.037 -0.364 0.000 0.824 234 A CB 0.092 18.795 19.000 -0.494 0.000 1.100 234 A HN 0.852 nan 8.150 nan 0.000 0.516 235 E N 1.369 121.412 120.200 -0.262 0.000 2.331 235 E HA 0.355 4.704 4.350 -0.001 0.000 0.272 235 E C -1.258 175.238 176.600 -0.174 0.000 1.036 235 E CA -0.415 55.884 56.400 -0.169 0.000 0.864 235 E CB 1.003 30.628 29.700 -0.125 0.000 1.035 235 E HN 0.446 nan 8.360 nan 0.000 0.408 236 L N 3.985 125.131 121.223 -0.128 0.000 2.324 236 L HA 0.256 4.595 4.340 -0.001 0.000 0.274 236 L C -0.718 176.095 176.870 -0.094 0.000 1.012 236 L CA 0.021 54.791 54.840 -0.115 0.000 0.859 236 L CB 0.714 42.710 42.059 -0.106 0.000 1.224 236 L HN 0.380 nan 8.230 nan 0.000 0.429 237 L N 5.031 126.201 121.223 -0.087 0.000 2.295 237 L HA 0.474 4.813 4.340 -0.001 0.000 0.288 237 L C -0.376 176.447 176.870 -0.078 0.000 1.079 237 L CA -0.366 54.430 54.840 -0.074 0.000 0.830 237 L CB 0.917 42.939 42.059 -0.061 0.000 1.200 237 L HN 0.462 nan 8.230 nan 0.000 0.438 238 I N 6.167 126.690 120.570 -0.079 0.000 2.499 238 I HA 0.590 4.760 4.170 -0.001 0.000 0.288 238 I C -2.200 173.872 176.117 -0.076 0.000 1.048 238 I CA -1.730 59.517 61.300 -0.088 0.000 1.062 238 I CB 1.809 39.745 38.000 -0.107 0.000 1.238 238 I HN 0.340 nan 8.210 nan 0.000 0.426 239 P HA 0.500 nan 4.420 nan 0.000 0.276 239 P C -0.795 176.462 177.300 -0.073 0.000 1.244 239 P CA -0.547 62.503 63.100 -0.083 0.000 0.801 239 P CB 1.091 32.743 31.700 -0.079 0.000 1.006 240 A N 2.836 125.611 122.820 -0.076 0.000 2.407 240 A HA 0.383 4.702 4.320 -0.001 0.000 0.248 240 A C -1.880 175.671 177.584 -0.054 0.000 1.082 240 A CA -1.193 50.807 52.037 -0.062 0.000 0.785 240 A CB -0.755 18.208 19.000 -0.061 0.000 1.020 240 A HN 0.473 nan 8.150 nan 0.000 0.489 241 P HA 0.228 nan 4.420 nan 0.000 0.252 241 P C -0.891 176.388 177.300 -0.035 0.000 1.727 241 P CA 0.196 63.274 63.100 -0.036 0.000 1.134 241 P CB 0.029 31.712 31.700 -0.029 0.000 1.876 242 L N 2.065 123.262 121.223 -0.044 0.000 2.271 242 L HA 0.512 4.852 4.340 -0.001 0.000 0.265 242 L C 0.550 177.395 176.870 -0.043 0.000 1.013 242 L CA -0.753 54.059 54.840 -0.045 0.000 0.820 242 L CB 0.997 43.018 42.059 -0.063 0.000 1.352 242 L HN 0.128 nan 8.230 nan 0.000 0.443 243 D N 1.770 122.145 120.400 -0.043 0.000 2.304 243 D HA 0.195 4.834 4.640 -0.001 0.000 0.247 243 D C -1.556 174.716 176.300 -0.046 0.000 1.089 243 D CA -1.387 52.590 54.000 -0.038 0.000 0.910 243 D CB 0.656 41.436 40.800 -0.034 0.000 1.199 243 D HN 0.276 nan 8.370 nan 0.000 0.426 244 P HA -0.068 nan 4.420 nan 0.000 0.236 244 P C 0.833 178.105 177.300 -0.046 0.000 1.172 244 P CA 0.630 63.704 63.100 -0.043 0.000 0.759 244 P CB 0.279 31.958 31.700 -0.035 0.000 0.843 245 G N -0.614 108.158 108.800 -0.047 0.000 2.727 245 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.203 245 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.203 245 G C 1.496 176.358 174.900 -0.065 0.000 1.117 245 G CA 0.666 45.736 45.100 -0.049 0.000 0.817 245 G HN 0.272 nan 8.290 nan 0.000 0.553 246 T N 0.187 114.699 114.554 -0.070 0.000 2.915 246 T HA -0.157 4.192 4.350 -0.001 0.000 0.269 246 T C 2.216 176.840 174.700 -0.126 0.000 1.071 246 T CA 2.126 64.171 62.100 -0.091 0.000 1.132 246 T CB -0.193 68.628 68.868 -0.078 0.000 0.878 246 T HN 0.450 nan 8.240 nan 0.000 0.479 247 Q N 0.116 119.849 119.800 -0.112 0.000 2.046 247 Q HA -0.122 4.218 4.340 -0.001 0.000 0.200 247 Q C 2.121 178.036 176.000 -0.141 0.000 0.975 247 Q CA 1.727 57.450 55.803 -0.133 0.000 0.836 247 Q CB -0.170 28.505 28.738 -0.106 0.000 0.896 247 Q HN 0.672 nan 8.270 nan 0.000 0.428 248 E N -0.194 119.943 120.200 -0.105 0.000 2.153 248 E HA -0.144 4.206 4.350 -0.001 0.000 0.194 248 E C 1.933 178.472 176.600 -0.103 0.000 0.988 248 E CA 1.575 57.922 56.400 -0.090 0.000 0.811 248 E CB 0.024 29.687 29.700 -0.061 0.000 0.746 248 E HN 0.412 nan 8.360 nan 0.000 0.466 249 T N 0.629 115.112 114.554 -0.118 0.000 2.821 249 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 249 T C 2.092 176.665 174.700 -0.210 0.000 1.046 249 T CA 0.770 62.795 62.100 -0.126 0.000 1.139 249 T CB -0.065 68.734 68.868 -0.115 0.000 0.871 249 T HN -0.012 nan 8.240 nan 0.000 0.454 250 V N 1.670 121.389 119.914 -0.324 0.000 2.358 250 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 250 V C 2.599 178.452 176.094 -0.401 0.000 1.047 250 V CA 1.585 63.509 62.300 -0.627 0.000 1.035 250 V CB -0.639 30.797 31.823 -0.646 0.000 0.658 250 V HN 0.519 nan 8.190 nan 0.000 0.452 251 Q N -0.164 119.505 119.800 -0.219 0.000 2.079 251 Q HA -0.241 4.098 4.340 -0.001 0.000 0.200 251 Q C 2.361 178.335 176.000 -0.042 0.000 0.974 251 Q CA 1.757 57.494 55.803 -0.111 0.000 0.840 251 Q CB -0.283 28.397 28.738 -0.097 0.000 0.898 251 Q HN 0.762 nan 8.270 nan 0.000 0.430 252 E N 1.304 121.477 120.200 -0.045 0.000 2.058 252 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 252 E C 2.003 178.630 176.600 0.045 0.000 0.997 252 E CA 0.975 57.375 56.400 0.000 0.000 0.801 252 E CB -0.105 29.588 29.700 -0.012 0.000 0.746 252 E HN 0.352 nan 8.360 nan 0.000 0.450 253 L N 0.496 121.753 121.223 0.057 0.000 2.056 253 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 253 L C 2.839 179.869 176.870 0.267 0.000 1.078 253 L CA 0.992 55.935 54.840 0.172 0.000 0.749 253 L CB -0.551 41.667 42.059 0.264 0.000 0.901 253 L HN 0.229 nan 8.230 nan 0.000 0.433 254 A N -0.107 122.905 122.820 0.320 0.000 1.902 254 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 254 A C 2.130 179.826 177.584 0.186 0.000 1.181 254 A CA 1.493 53.720 52.037 0.316 0.000 0.623 254 A CB -0.554 18.614 19.000 0.279 0.000 0.818 254 A HN 0.261 nan 8.150 nan 0.000 0.443 255 L N -0.245 121.046 121.223 0.115 0.000 2.141 255 L HA -0.064 4.275 4.340 -0.001 0.000 0.209 255 L C 2.334 179.276 176.870 0.120 0.000 1.094 255 L CA 2.166 57.059 54.840 0.088 0.000 0.763 255 L CB -0.765 41.324 42.059 0.050 0.000 0.908 255 L HN 0.539 nan 8.230 nan 0.000 0.437 256 K N -0.639 119.824 120.400 0.105 0.000 2.057 256 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 256 K C 2.031 178.675 176.600 0.072 0.000 1.050 256 K CA 1.231 57.565 56.287 0.080 0.000 0.935 256 K CB 0.015 32.560 32.500 0.074 0.000 0.715 256 K HN 0.237 nan 8.250 nan 0.000 0.439 257 A N 0.142 123.019 122.820 0.095 0.000 1.930 257 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 257 A C 2.014 179.637 177.584 0.065 0.000 1.175 257 A CA 1.114 53.185 52.037 0.057 0.000 0.627 257 A CB -0.849 18.174 19.000 0.038 0.000 0.815 257 A HN 0.529 nan 8.150 nan 0.000 0.443 258 Y N 0.597 120.887 120.300 -0.016 0.000 2.128 258 Y HA -0.241 4.308 4.550 -0.001 0.000 0.284 258 Y C 2.469 178.319 175.900 -0.083 0.000 1.154 258 Y CA 2.421 60.504 58.100 -0.029 0.000 1.149 258 Y CB -0.094 38.369 38.460 0.005 0.000 0.976 258 Y HN 0.292 nan 8.280 nan 0.000 0.505 259 K N -0.075 120.359 120.400 0.057 0.000 1.985 259 K HA -0.169 4.150 4.320 -0.001 0.000 0.210 259 K C 2.087 178.599 176.600 -0.145 0.000 1.047 259 K CA 2.086 58.292 56.287 -0.136 0.000 0.932 259 K CB -0.608 31.788 32.500 -0.174 0.000 0.716 259 K HN 0.352 nan 8.250 nan 0.000 0.439 260 V N 0.044 119.911 119.914 -0.078 0.000 2.392 260 V HA -0.202 3.917 4.120 -0.001 0.000 0.249 260 V C 2.074 178.118 176.094 -0.084 0.000 1.059 260 V CA 1.337 63.598 62.300 -0.065 0.000 1.051 260 V CB -0.641 31.165 31.823 -0.029 0.000 0.658 260 V HN 0.200 nan 8.190 nan 0.000 0.455 261 L N 1.410 122.571 121.223 -0.104 0.000 2.478 261 L HA 0.297 4.636 4.340 -0.001 0.000 0.223 261 L C 1.976 178.750 176.870 -0.161 0.000 1.140 261 L CA 1.524 56.291 54.840 -0.122 0.000 0.842 261 L CB -1.700 40.281 42.059 -0.130 0.000 0.953 261 L HN 0.807 nan 8.230 nan 0.000 0.452 262 G N 0.614 109.293 108.800 -0.201 0.000 2.246 262 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.273 262 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.273 262 G C 0.349 175.079 174.900 -0.283 0.000 1.055 262 G CA 0.309 45.282 45.100 -0.213 0.000 0.851 262 G HN 0.156 nan 8.290 nan 0.000 0.500 263 V N -0.669 118.946 119.914 -0.497 0.000 2.963 263 V HA 0.312 4.431 4.120 -0.001 0.000 0.306 263 V C 1.668 177.463 176.094 -0.497 0.000 1.077 263 V CA 0.782 62.712 62.300 -0.618 0.000 1.124 263 V CB 1.395 32.533 31.823 -1.141 0.000 0.987 263 V HN 0.543 nan 8.190 nan 0.000 0.487 264 R N 1.699 122.050 120.500 -0.249 0.000 2.125 264 R HA 0.274 4.613 4.340 -0.001 0.000 0.195 264 R C 1.126 177.445 176.300 0.031 0.000 1.138 264 R CA 0.566 56.609 56.100 -0.094 0.000 1.123 264 R CB 0.062 30.286 30.300 -0.126 0.000 1.049 264 R HN 0.844 nan 8.270 nan 0.000 0.503 268 R N 1.683 122.380 120.500 0.328 0.000 2.295 268 R HA 0.609 4.948 4.340 -0.001 0.000 0.324 268 R C -1.356 175.066 176.300 0.203 0.000 0.968 268 R CA -0.349 56.028 56.100 0.461 0.000 0.837 268 R CB 1.181 31.752 30.300 0.453 0.000 1.133 268 R HN 0.561 nan 8.270 nan 0.000 0.450 269 V N 4.839 124.857 119.914 0.174 0.000 2.350 269 V HA 0.191 4.310 4.120 -0.001 0.000 0.276 269 V C -0.443 175.686 176.094 0.058 0.000 1.028 269 V CA -0.735 61.609 62.300 0.074 0.000 0.860 269 V CB 1.324 33.238 31.823 0.152 0.000 0.990 269 V HN 0.716 nan 8.190 nan 0.000 0.453 270 D N 4.286 124.620 120.400 -0.110 0.000 2.177 270 D HA 0.637 5.276 4.640 -0.001 0.000 0.247 270 D C -0.621 175.490 176.300 -0.315 0.000 1.063 270 D CA 0.126 54.058 54.000 -0.114 0.000 0.867 270 D CB 1.588 42.282 40.800 -0.177 0.000 1.168 270 D HN 0.283 nan 8.370 nan 0.000 0.445 271 F N 0.698 120.540 119.950 -0.180 0.000 2.588 271 F HA 0.479 5.005 4.527 -0.001 0.000 0.314 271 F C -0.416 175.330 175.800 -0.090 0.000 1.069 271 F CA -0.991 56.922 58.000 -0.145 0.000 0.931 271 F CB 1.300 40.279 39.000 -0.036 0.000 1.260 271 F HN 0.084 nan 8.300 nan 0.000 0.465 272 F N 2.540 122.679 119.950 0.314 0.000 2.443 272 F HA 0.591 5.117 4.527 -0.001 0.000 0.335 272 F C -0.560 175.412 175.800 0.286 0.000 1.104 272 F CA -1.235 56.921 58.000 0.259 0.000 1.013 272 F CB 1.728 40.876 39.000 0.247 0.000 1.136 272 F HN 0.117 nan 8.300 nan 0.000 0.470 273 L N 3.876 125.344 121.223 0.407 0.000 2.353 273 L HA 0.818 5.157 4.340 -0.001 0.000 0.270 273 L C -0.947 176.047 176.870 0.207 0.000 1.003 273 L CA -0.482 54.501 54.840 0.238 0.000 0.862 273 L CB 0.655 42.794 42.059 0.132 0.000 1.221 273 L HN 0.594 nan 8.230 nan 0.000 0.430 274 A N 4.323 127.287 122.820 0.239 0.000 2.319 274 A HA 0.600 4.919 4.320 -0.001 0.000 0.310 274 A C 0.091 177.759 177.584 0.139 0.000 1.152 274 A CA 0.021 52.166 52.037 0.181 0.000 0.783 274 A CB 0.347 19.471 19.000 0.208 0.000 1.184 274 A HN 0.973 nan 8.150 nan 0.000 0.474 275 E N 1.915 122.165 120.200 0.083 0.000 2.149 275 E HA -0.214 4.135 4.350 -0.001 0.000 0.191 275 E C 0.908 177.535 176.600 0.045 0.000 1.384 275 E CA 0.902 57.336 56.400 0.057 0.000 0.698 275 E CB -2.107 27.626 29.700 0.055 0.000 1.086 275 E HN 2.470 nan 8.360 nan 0.000 0.338 276 G N -0.366 108.452 108.800 0.030 0.000 2.205 276 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.261 276 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.261 276 G C -0.021 174.864 174.900 -0.025 0.000 0.980 276 G CA 0.537 45.639 45.100 0.003 0.000 0.632 276 G HN 0.463 nan 8.290 nan 0.000 0.533 277 E N 0.066 120.247 120.200 -0.031 0.000 2.183 277 E HA 0.663 5.013 4.350 -0.001 0.000 0.271 277 E C 0.353 176.781 176.600 -0.286 0.000 0.919 277 E CA -0.593 55.703 56.400 -0.173 0.000 0.781 277 E CB 1.699 31.275 29.700 -0.207 0.000 1.140 277 E HN 0.358 nan 8.360 nan 0.000 0.402 278 L N 2.415 123.435 121.223 -0.338 0.000 2.360 278 L HA 0.424 4.764 4.340 -0.001 0.000 0.271 278 L C -0.787 175.846 176.870 -0.395 0.000 1.057 278 L CA -0.737 53.991 54.840 -0.187 0.000 0.803 278 L CB 0.581 42.606 42.059 -0.056 0.000 1.207 278 L HN 0.434 nan 8.230 nan 0.000 0.445 279 Y N 1.709 122.194 120.300 0.308 0.000 2.361 279 Y HA 0.321 4.871 4.550 -0.001 0.000 0.328 279 Y C -0.400 175.542 175.900 0.070 0.000 1.044 279 Y CA -0.573 57.654 58.100 0.210 0.000 1.085 279 Y CB 1.780 40.381 38.460 0.236 0.000 1.194 279 Y HN 0.340 nan 8.280 nan 0.000 0.438 280 L N 4.488 125.702 121.223 -0.014 0.000 2.385 280 L HA 0.232 4.571 4.340 -0.001 0.000 0.281 280 L C 0.970 177.608 176.870 -0.387 0.000 1.106 280 L CA 0.353 54.844 54.840 -0.582 0.000 0.856 280 L CB 0.304 42.046 42.059 -0.530 0.000 1.186 280 L HN 0.906 nan 8.230 nan 0.000 0.453 281 N N 3.575 121.959 118.700 -0.527 0.000 2.278 281 N HA -0.004 4.735 4.740 -0.001 0.000 0.181 281 N C -0.045 175.229 175.510 -0.393 0.000 1.023 281 N CA 0.317 53.062 53.050 -0.509 0.000 0.862 281 N CB 0.534 38.404 38.487 -1.029 0.000 1.003 281 N HN 0.730 nan 8.380 nan 0.000 0.431 282 E N -0.139 119.827 120.200 -0.391 0.000 2.378 282 E HA 0.262 4.611 4.350 -0.001 0.000 0.283 282 E C -2.093 174.382 176.600 -0.208 0.000 0.979 282 E CA -0.487 55.757 56.400 -0.261 0.000 0.795 282 E CB 1.894 31.466 29.700 -0.214 0.000 1.221 282 E HN 0.132 nan 8.360 nan 0.000 0.428 283 L N 4.338 125.477 121.223 -0.140 0.000 2.318 283 L HA 0.502 4.841 4.340 -0.001 0.000 0.277 283 L C -1.189 175.667 176.870 -0.024 0.000 1.008 283 L CA -0.571 54.229 54.840 -0.066 0.000 0.846 283 L CB 0.707 42.731 42.059 -0.057 0.000 1.220 283 L HN 0.442 nan 8.230 nan 0.000 0.423 284 N N 3.049 121.758 118.700 0.014 0.000 2.408 284 N HA 0.098 4.837 4.740 -0.001 0.000 0.257 284 N C 0.991 176.531 175.510 0.050 0.000 1.064 284 N CA 0.204 53.273 53.050 0.032 0.000 0.952 284 N CB 1.812 40.324 38.487 0.043 0.000 1.093 284 N HN 0.660 nan 8.380 nan 0.000 0.490 285 T N -1.051 113.529 114.554 0.044 0.000 2.985 285 T HA 0.068 4.418 4.350 -0.001 0.000 0.266 285 T C 0.821 175.557 174.700 0.061 0.000 1.076 285 T CA 0.748 62.875 62.100 0.045 0.000 1.135 285 T CB 0.132 69.015 68.868 0.026 0.000 0.890 285 T HN 0.242 nan 8.240 nan 0.000 0.480 286 I N 3.947 124.574 120.570 0.096 0.000 2.595 286 I HA 0.427 4.597 4.170 -0.001 0.000 0.275 286 I C -2.279 173.964 176.117 0.211 0.000 1.092 286 I CA -3.176 58.217 61.300 0.155 0.000 1.145 286 I CB 1.583 39.652 38.000 0.115 0.000 1.276 286 I HN 0.052 nan 8.210 nan 0.000 0.497 287 P HA 0.256 nan 4.420 nan 0.000 0.286 287 P C 0.299 177.586 177.300 -0.022 0.000 1.293 287 P CA -0.314 62.740 63.100 -0.076 0.000 0.770 287 P CB 0.751 32.191 31.700 -0.433 0.000 1.206 288 G N -1.182 107.586 108.800 -0.054 0.000 2.503 288 G HA2 0.370 4.329 3.960 -0.001 0.000 0.257 288 G HA3 0.370 4.329 3.960 -0.001 0.000 0.257 288 G C -0.841 173.960 174.900 -0.166 0.000 1.214 288 G CA -0.366 44.746 45.100 0.020 0.000 0.839 288 G HN 0.350 nan 8.290 nan 0.000 0.559 289 F N 0.164 120.232 119.950 0.197 0.000 2.815 289 F HA 0.218 4.744 4.527 -0.001 0.000 0.335 289 F C 1.397 177.314 175.800 0.196 0.000 1.179 289 F CA -0.488 57.659 58.000 0.245 0.000 1.204 289 F CB 0.674 39.822 39.000 0.247 0.000 1.050 289 F HN 0.493 nan 8.300 nan 0.000 0.510 290 T N -1.563 113.114 114.554 0.204 0.000 2.897 290 T HA 0.200 4.550 4.350 -0.001 0.000 0.294 290 T C -1.376 173.308 174.700 -0.027 0.000 1.004 290 T CA -1.927 60.244 62.100 0.118 0.000 1.106 290 T CB 1.549 70.463 68.868 0.077 0.000 0.949 290 T HN -0.070 nan 8.240 nan 0.000 0.520 291 P HA -0.116 nan 4.420 nan 0.000 0.227 291 P C 1.224 178.421 177.300 -0.172 0.000 1.145 291 P CA 0.999 63.907 63.100 -0.321 0.000 0.769 291 P CB -0.097 31.457 31.700 -0.243 0.000 0.769 292 T N -3.429 111.077 114.554 -0.080 0.000 3.065 292 T HA 0.114 4.463 4.350 -0.001 0.000 0.252 292 T C 1.015 175.686 174.700 -0.048 0.000 1.099 292 T CA 0.030 62.097 62.100 -0.054 0.000 1.063 292 T CB -0.356 68.499 68.868 -0.022 0.000 0.948 292 T HN -0.046 nan 8.240 nan 0.000 0.506 296 P HA -0.122 nan 4.420 nan 0.000 0.217 296 P C 0.968 178.302 177.300 0.057 0.000 1.150 296 P CA 1.932 65.158 63.100 0.210 0.000 0.832 296 P CB -0.011 31.730 31.700 0.068 0.000 0.787 297 R N -0.397 120.067 120.500 -0.061 0.000 2.091 297 R HA -0.082 4.258 4.340 -0.001 0.000 0.238 297 R C 2.699 178.938 176.300 -0.102 0.000 1.136 297 R CA 1.159 57.208 56.100 -0.085 0.000 0.959 297 R CB -1.010 29.228 30.300 -0.103 0.000 0.856 297 R HN 0.222 nan 8.270 nan 0.000 0.437 298 L N -0.664 120.446 121.223 -0.188 0.000 2.012 298 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 298 L C 2.106 178.800 176.870 -0.293 0.000 1.073 298 L CA 1.359 56.020 54.840 -0.298 0.000 0.748 298 L CB -0.310 41.456 42.059 -0.489 0.000 0.891 298 L HN 0.136 nan 8.230 nan 0.000 0.431 299 F N 0.130 120.004 119.950 -0.128 0.000 2.407 299 F HA -0.131 4.395 4.527 -0.001 0.000 0.299 299 F C 2.430 178.227 175.800 -0.005 0.000 1.097 299 F CA 0.899 58.875 58.000 -0.041 0.000 1.422 299 F CB -0.252 38.767 39.000 0.032 0.000 1.067 299 F HN 0.101 nan 8.300 nan 0.000 0.539 300 E N -0.081 120.199 120.200 0.133 0.000 2.051 300 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 300 E C 2.419 179.040 176.600 0.036 0.000 0.991 300 E CA 1.063 57.513 56.400 0.083 0.000 0.799 300 E CB -0.328 29.388 29.700 0.026 0.000 0.748 300 E HN 0.332 nan 8.360 nan 0.000 0.449 301 A N 0.937 123.747 122.820 -0.017 0.000 2.070 301 A HA -0.086 4.233 4.320 -0.001 0.000 0.220 301 A C 2.215 179.778 177.584 -0.034 0.000 1.159 301 A CA 1.480 53.492 52.037 -0.042 0.000 0.656 301 A CB -0.616 18.334 19.000 -0.084 0.000 0.800 301 A HN 0.330 nan 8.150 nan 0.000 0.453 302 G N -1.977 106.811 108.800 -0.019 0.000 2.985 302 G HA2 0.377 4.336 3.960 -0.001 0.000 0.209 302 G HA3 0.377 4.336 3.960 -0.001 0.000 0.209 302 G C 1.040 175.978 174.900 0.064 0.000 1.165 302 G CA 0.449 45.552 45.100 0.006 0.000 0.776 302 G HN 1.604 nan 8.290 nan 0.000 0.541 303 G N -1.233 107.606 108.800 0.065 0.000 2.132 303 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.228 303 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.228 303 G C -0.075 174.879 174.900 0.091 0.000 1.000 303 G CA 0.018 45.157 45.100 0.064 0.000 0.693 303 G HN 0.798 nan 8.290 nan 0.000 0.515 304 V N 1.101 121.096 119.914 0.134 0.000 2.305 304 V HA 0.724 4.843 4.120 -0.001 0.000 0.275 304 V C 0.937 177.115 176.094 0.141 0.000 1.020 304 V CA -0.546 61.838 62.300 0.139 0.000 0.811 304 V CB 0.865 32.801 31.823 0.189 0.000 1.031 304 V HN 1.232 nan 8.190 nan 0.000 0.439 305 A N 3.195 126.076 122.820 0.101 0.000 2.555 305 A HA 0.124 4.443 4.320 -0.001 0.000 0.233 305 A C 0.930 178.611 177.584 0.162 0.000 1.060 305 A CA 0.309 52.410 52.037 0.107 0.000 0.759 305 A CB -0.040 19.001 19.000 0.068 0.000 0.995 305 A HN 0.808 nan 8.150 nan 0.000 0.506 306 Y N 3.584 123.887 120.300 0.006 0.000 2.040 306 Y HA -0.148 4.402 4.550 -0.001 0.000 0.275 306 Y C -0.676 175.242 175.900 0.030 0.000 1.171 306 Y CA 2.625 60.732 58.100 0.012 0.000 1.123 306 Y CB -1.582 36.812 38.460 -0.111 0.000 0.963 306 Y HN 0.545 nan 8.280 nan 0.000 0.493 307 P HA -0.172 nan 4.420 nan 0.000 0.217 307 P C 1.433 178.684 177.300 -0.081 0.000 1.148 307 P CA 2.304 65.338 63.100 -0.109 0.000 0.828 307 P CB 0.001 31.687 31.700 -0.025 0.000 0.783 308 E N -0.713 119.475 120.200 -0.019 0.000 2.152 308 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 308 E C 1.722 178.322 176.600 0.000 0.000 0.983 308 E CA 0.639 57.034 56.400 -0.008 0.000 0.818 308 E CB -1.113 28.598 29.700 0.017 0.000 0.758 308 E HN 0.019 nan 8.360 nan 0.000 0.467 309 L N 0.033 121.269 121.223 0.022 0.000 2.017 309 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 309 L C 2.052 178.946 176.870 0.040 0.000 1.073 309 L CA 1.595 56.456 54.840 0.035 0.000 0.745 309 L CB -0.454 41.705 42.059 0.167 0.000 0.894 309 L HN 0.233 nan 8.230 nan 0.000 0.432 310 L N -0.878 120.338 121.223 -0.012 0.000 2.046 310 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 310 L C 2.777 179.713 176.870 0.111 0.000 1.077 310 L CA 1.420 56.273 54.840 0.023 0.000 0.747 310 L CB -0.637 41.355 42.059 -0.113 0.000 0.896 310 L HN 0.305 nan 8.230 nan 0.000 0.432 311 R N 0.632 121.173 120.500 0.069 0.000 2.083 311 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 311 R C 2.471 178.872 176.300 0.167 0.000 1.137 311 R CA 1.600 57.794 56.100 0.155 0.000 0.951 311 R CB -0.079 30.221 30.300 0.001 0.000 0.851 311 R HN 0.266 nan 8.270 nan 0.000 0.434 312 R N 0.102 120.646 120.500 0.073 0.000 2.115 312 R HA -0.063 4.276 4.340 -0.001 0.000 0.230 312 R C 2.363 178.679 176.300 0.026 0.000 1.111 312 R CA 1.134 57.258 56.100 0.040 0.000 0.976 312 R CB -0.209 30.088 30.300 -0.005 0.000 0.870 312 R HN 0.276 nan 8.270 nan 0.000 0.445 313 L N -0.155 121.087 121.223 0.031 0.000 2.027 313 L HA -0.157 4.182 4.340 -0.001 0.000 0.206 313 L C 2.256 179.089 176.870 -0.062 0.000 1.074 313 L CA 1.028 55.853 54.840 -0.026 0.000 0.745 313 L CB -0.345 41.700 42.059 -0.023 0.000 0.898 313 L HN 0.038 nan 8.230 nan 0.000 0.433 314 V N -0.618 119.307 119.914 0.019 0.000 2.427 314 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 314 V C 2.498 178.561 176.094 -0.052 0.000 1.051 314 V CA 1.426 63.711 62.300 -0.025 0.000 1.048 314 V CB -0.427 31.399 31.823 0.005 0.000 0.666 314 V HN 0.401 nan 8.190 nan 0.000 0.456 315 E N 0.131 120.341 120.200 0.016 0.000 2.072 315 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 315 E C 2.216 178.803 176.600 -0.021 0.000 0.985 315 E CA 0.984 57.388 56.400 0.006 0.000 0.801 315 E CB -0.305 29.431 29.700 0.060 0.000 0.750 315 E HN 0.502 nan 8.360 nan 0.000 0.452 316 L N 0.581 121.789 121.223 -0.024 0.000 2.191 316 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 316 L C 2.416 179.242 176.870 -0.074 0.000 1.103 316 L CA 0.958 55.777 54.840 -0.034 0.000 0.769 316 L CB -0.441 41.603 42.059 -0.025 0.000 0.908 316 L HN 0.053 nan 8.230 nan 0.000 0.438 317 A N -0.228 122.529 122.820 -0.105 0.000 2.019 317 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 317 A C 1.982 179.492 177.584 -0.124 0.000 1.164 317 A CA 1.250 53.197 52.037 -0.150 0.000 0.644 317 A CB -0.479 18.431 19.000 -0.151 0.000 0.805 317 A HN 0.441 nan 8.150 nan 0.000 0.449 318 L N 0.176 121.348 121.223 -0.085 0.000 2.653 318 L HA 0.145 4.485 4.340 -0.001 0.000 0.231 318 L C 0.917 177.757 176.870 -0.050 0.000 1.153 318 L CA 0.358 55.159 54.840 -0.065 0.000 0.933 318 L CB -0.248 41.778 42.059 -0.055 0.000 1.175 318 L HN 0.549 nan 8.230 nan 0.000 0.473 319 T N 0.000 114.523 114.554 -0.051 0.000 3.816 319 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 319 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 319 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658