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 1t0i_1_B DATA FIRST_RESID 2 DATA SEQUENCE KVGIIMGSVR AKRVCPEIAA YVKRTIENSX XXXXXXXKIQ VVDLQQIALP DATA SEQUENCE LYEDDDELIP AQIKSVDEYA DSKTRSWSRI VNALDIIVFV TPQYNWGYPA DATA SEQUENCE ALKNAIDRLY HEWHGKPALV VSYGGHGGSK CNDQLQEVLH GLKMNVIGGV DATA SEQUENCE AVKIPVGTIP LPEDIVPQLS VHNEEILQLL ASCIE 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.575 176.600 -0.042 0.000 0.988 2 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 2 K CB 0.000 32.476 32.500 -0.039 0.000 1.064 3 V N 1.840 121.729 119.914 -0.041 0.000 2.483 3 V HA 0.674 4.794 4.120 0.000 0.000 0.297 3 V C 0.487 176.550 176.094 -0.052 0.000 1.027 3 V CA -0.885 61.385 62.300 -0.049 0.000 0.855 3 V CB 1.992 33.789 31.823 -0.044 0.000 0.995 3 V HN 0.682 nan 8.190 nan 0.000 0.424 4 G N 4.904 113.662 108.800 -0.069 0.000 2.370 4 G HA2 0.677 4.637 3.960 0.000 0.000 0.317 4 G HA3 0.677 4.637 3.960 0.000 0.000 0.317 4 G C -0.595 174.253 174.900 -0.085 0.000 1.162 4 G CA -0.487 44.574 45.100 -0.065 0.000 0.922 4 G HN 0.672 nan 8.290 nan 0.000 0.454 5 I N 3.828 124.369 120.570 -0.047 0.000 2.282 5 I HA 0.217 4.387 4.170 0.000 0.000 0.290 5 I C -0.024 176.091 176.117 -0.004 0.000 1.090 5 I CA -0.332 60.944 61.300 -0.040 0.000 1.231 5 I CB 0.848 38.840 38.000 -0.013 0.000 1.434 5 I HN 0.241 nan 8.210 nan 0.000 0.487 6 I N 6.433 126.984 120.570 -0.032 0.000 2.322 6 I HA 0.219 4.389 4.170 0.000 0.000 0.292 6 I C 0.411 176.610 176.117 0.137 0.000 1.060 6 I CA -0.087 61.258 61.300 0.075 0.000 1.309 6 I CB 0.536 38.595 38.000 0.099 0.000 1.415 6 I HN 0.463 nan 8.210 nan 0.000 0.492 7 M N 4.556 124.229 119.600 0.121 0.000 2.217 7 M HA 0.165 4.645 4.480 0.000 0.000 0.354 7 M C 1.317 177.689 176.300 0.120 0.000 1.225 7 M CA 0.141 55.515 55.300 0.124 0.000 1.137 7 M CB 1.269 33.925 32.600 0.094 0.000 1.576 7 M HN 0.782 nan 8.290 nan 0.000 0.461 8 G N 0.942 109.807 108.800 0.109 0.000 2.595 8 G HA2 -0.031 3.930 3.960 0.000 0.000 0.213 8 G HA3 -0.031 3.930 3.960 0.000 0.000 0.213 8 G C 0.590 175.498 174.900 0.014 0.000 1.141 8 G CA -0.058 45.068 45.100 0.043 0.000 0.806 8 G HN 0.610 nan 8.290 nan 0.000 0.530 9 S N 0.064 115.798 115.700 0.057 0.000 2.545 9 S HA 0.321 4.791 4.470 0.000 0.000 0.275 9 S C 0.879 175.539 174.600 0.100 0.000 1.299 9 S CA -0.147 58.116 58.200 0.105 0.000 1.048 9 S CB 1.475 64.784 63.200 0.181 0.000 0.938 9 S HN 0.601 nan 8.310 nan 0.000 0.496 10 V N 3.352 123.329 119.914 0.106 0.000 3.159 10 V HA 0.483 4.603 4.120 0.000 0.000 0.333 10 V C 0.462 176.601 176.094 0.075 0.000 1.424 10 V CA -0.569 61.773 62.300 0.070 0.000 1.125 10 V CB -0.524 31.322 31.823 0.039 0.000 1.075 10 V HN 0.687 nan 8.190 nan 0.000 0.482 11 R N 0.523 121.087 120.500 0.106 0.000 2.643 11 R HA 0.519 4.859 4.340 0.000 0.000 0.270 11 R C 1.625 177.961 176.300 0.059 0.000 1.061 11 R CA 0.493 56.641 56.100 0.081 0.000 1.107 11 R CB 1.208 31.568 30.300 0.100 0.000 0.999 11 R HN 0.450 nan 8.270 nan 0.000 0.460 12 A N 3.329 126.173 122.820 0.040 0.000 1.858 12 A HA -0.131 4.189 4.320 0.000 0.000 0.216 12 A C 0.719 178.322 177.584 0.033 0.000 1.190 12 A CA 1.252 53.308 52.037 0.031 0.000 0.617 12 A CB -0.038 18.974 19.000 0.021 0.000 0.827 12 A HN 0.560 nan 8.150 nan 0.000 0.443 13 K N 0.521 120.940 120.400 0.033 0.000 2.264 13 K HA 0.386 4.706 4.320 0.000 0.000 0.277 13 K C -0.652 175.979 176.600 0.052 0.000 1.067 13 K CA -0.283 56.024 56.287 0.034 0.000 0.900 13 K CB 0.500 33.014 32.500 0.024 0.000 1.124 13 K HN 0.623 nan 8.250 nan 0.000 0.469 14 R N 0.783 121.318 120.500 0.058 0.000 2.740 14 R HA 0.325 4.666 4.340 0.000 0.000 0.273 14 R C -0.233 176.106 176.300 0.065 0.000 0.998 14 R CA -1.023 55.130 56.100 0.088 0.000 0.900 14 R CB 0.878 31.244 30.300 0.111 0.000 1.223 14 R HN 0.134 nan 8.270 nan 0.000 0.466 15 V N 0.385 120.347 119.914 0.080 0.000 3.129 15 V HA -0.143 3.977 4.120 0.000 0.000 0.259 15 V C 2.130 178.160 176.094 -0.107 0.000 1.116 15 V CA 1.137 63.426 62.300 -0.018 0.000 1.127 15 V CB -0.049 31.756 31.823 -0.030 0.000 0.742 15 V HN 1.007 nan 8.190 nan 0.000 0.474 16 C N 1.428 120.742 119.300 0.023 0.000 2.413 16 C HA -0.097 4.363 4.460 0.000 0.000 0.276 16 C C 0.530 175.511 174.990 -0.015 0.000 1.236 16 C CA 1.768 60.810 59.018 0.039 0.000 1.735 16 C CB -1.393 26.465 27.740 0.197 0.000 2.031 16 C HN 0.455 nan 8.230 nan 0.000 0.474 17 P HA -0.095 nan 4.420 nan 0.000 0.218 17 P C 1.275 178.570 177.300 -0.008 0.000 1.148 17 P CA 1.486 64.593 63.100 0.010 0.000 0.822 17 P CB -0.243 31.467 31.700 0.017 0.000 0.784 18 E N -0.778 119.399 120.200 -0.038 0.000 2.106 18 E HA -0.112 4.239 4.350 0.000 0.000 0.192 18 E C 1.817 178.400 176.600 -0.030 0.000 0.984 18 E CA 0.838 57.216 56.400 -0.037 0.000 0.806 18 E CB -0.384 29.279 29.700 -0.062 0.000 0.750 18 E HN 0.193 nan 8.360 nan 0.000 0.458 19 I N 1.100 121.603 120.570 -0.111 0.000 2.353 19 I HA -0.147 4.023 4.170 0.000 0.000 0.248 19 I C 2.479 178.633 176.117 0.062 0.000 1.119 19 I CA 0.857 62.117 61.300 -0.066 0.000 1.417 19 I CB -1.402 36.414 38.000 -0.306 0.000 1.078 19 I HN -0.014 nan 8.210 nan 0.000 0.421 20 A N 1.034 123.871 122.820 0.028 0.000 1.972 20 A HA -0.071 4.249 4.320 0.000 0.000 0.219 20 A C 2.562 180.165 177.584 0.031 0.000 1.169 20 A CA 1.811 53.872 52.037 0.040 0.000 0.635 20 A CB -0.618 18.404 19.000 0.038 0.000 0.810 20 A HN 0.402 nan 8.150 nan 0.000 0.446 21 A N -1.417 121.426 122.820 0.039 0.000 1.930 21 A HA -0.066 4.255 4.320 0.000 0.000 0.217 21 A C 2.115 179.735 177.584 0.060 0.000 1.175 21 A CA 1.472 53.532 52.037 0.038 0.000 0.627 21 A CB -0.788 18.234 19.000 0.037 0.000 0.815 21 A HN 0.778 nan 8.150 nan 0.000 0.443 22 Y N 0.426 120.712 120.300 -0.023 0.000 2.145 22 Y HA -0.183 4.367 4.550 0.000 0.000 0.286 22 Y C 2.197 178.096 175.900 -0.001 0.000 1.145 22 Y CA 2.037 60.130 58.100 -0.012 0.000 1.148 22 Y CB -0.223 38.227 38.460 -0.018 0.000 0.981 22 Y HN 0.057 nan 8.280 nan 0.000 0.507 23 V N 1.235 121.028 119.914 -0.202 0.000 2.407 23 V HA -0.293 3.827 4.120 0.000 0.000 0.248 23 V C 2.417 178.397 176.094 -0.190 0.000 1.055 23 V CA 2.307 64.448 62.300 -0.265 0.000 1.049 23 V CB -0.693 31.087 31.823 -0.072 0.000 0.662 23 V HN 0.391 nan 8.190 nan 0.000 0.455 24 K N 0.870 121.207 120.400 -0.104 0.000 1.984 24 K HA -0.210 4.110 4.320 0.000 0.000 0.209 24 K C 2.403 178.953 176.600 -0.084 0.000 1.046 24 K CA 1.784 58.028 56.287 -0.072 0.000 0.934 24 K CB -0.253 32.226 32.500 -0.035 0.000 0.717 24 K HN 0.496 nan 8.250 nan 0.000 0.438 25 R N -0.144 120.309 120.500 -0.079 0.000 2.237 25 R HA -0.042 4.298 4.340 0.000 0.000 0.219 25 R C 1.481 177.720 176.300 -0.102 0.000 1.080 25 R CA 1.637 57.698 56.100 -0.064 0.000 0.995 25 R CB -0.390 29.896 30.300 -0.023 0.000 0.875 25 R HN 0.071 nan 8.270 nan 0.000 0.462 26 T N 1.488 115.920 114.554 -0.203 0.000 2.777 26 T HA 0.019 4.369 4.350 0.000 0.000 0.266 26 T C 1.845 176.461 174.700 -0.140 0.000 1.040 26 T CA 1.329 63.288 62.100 -0.236 0.000 1.141 26 T CB -0.075 68.500 68.868 -0.488 0.000 0.868 26 T HN 0.164 nan 8.240 nan 0.000 0.444 27 I N 1.443 121.937 120.570 -0.126 0.000 2.113 27 I HA -0.160 4.010 4.170 0.000 0.000 0.238 27 I C 2.439 178.522 176.117 -0.056 0.000 1.070 27 I CA 1.430 62.682 61.300 -0.080 0.000 1.332 27 I CB -0.295 37.663 38.000 -0.070 0.000 1.044 27 I HN 0.429 nan 8.210 nan 0.000 0.402 28 E N 0.078 120.247 120.200 -0.052 0.000 2.463 28 E HA -0.046 4.304 4.350 0.000 0.000 0.191 28 E C 0.351 176.934 176.600 -0.029 0.000 1.083 28 E CA 0.268 56.647 56.400 -0.035 0.000 0.872 28 E CB -0.238 29.444 29.700 -0.030 0.000 0.966 28 E HN 0.392 nan 8.360 nan 0.000 0.491 29 N N 0.436 119.116 118.700 -0.034 0.000 2.234 29 N HA 0.135 4.875 4.740 0.000 0.000 0.227 29 N C -0.758 174.740 175.510 -0.020 0.000 1.151 29 N CA -0.058 52.978 53.050 -0.023 0.000 0.865 29 N CB 1.070 39.545 38.487 -0.020 0.000 1.066 29 N HN -0.026 nan 8.380 nan 0.000 0.515 40 I N 1.973 122.530 120.570 -0.022 0.000 2.566 40 I HA 0.419 4.589 4.170 0.000 0.000 0.303 40 I C 0.078 176.186 176.117 -0.016 0.000 0.983 40 I CA -0.386 60.900 61.300 -0.023 0.000 1.235 40 I CB 1.381 39.366 38.000 -0.024 0.000 1.386 40 I HN 0.612 nan 8.210 nan 0.000 0.494 41 Q N 3.480 123.271 119.800 -0.015 0.000 2.295 41 Q HA 0.375 4.715 4.340 0.000 0.000 0.259 41 Q C -1.906 174.097 176.000 0.004 0.000 0.966 41 Q CA -0.399 55.402 55.803 -0.004 0.000 0.763 41 Q CB 2.352 31.088 28.738 -0.003 0.000 1.283 41 Q HN 0.487 nan 8.270 nan 0.000 0.445 42 V N 4.567 124.487 119.914 0.011 0.000 2.387 42 V HA 0.149 4.270 4.120 0.000 0.000 0.260 42 V C 0.175 176.292 176.094 0.039 0.000 1.054 42 V CA -0.244 62.069 62.300 0.021 0.000 0.967 42 V CB 0.896 32.730 31.823 0.019 0.000 1.036 42 V HN 0.516 nan 8.190 nan 0.000 0.481 43 V N 4.414 124.363 119.914 0.058 0.000 2.461 43 V HA 0.255 4.375 4.120 0.000 0.000 0.275 43 V C 0.091 176.227 176.094 0.070 0.000 1.047 43 V CA -0.303 62.051 62.300 0.089 0.000 0.955 43 V CB 1.557 33.480 31.823 0.167 0.000 0.988 43 V HN 0.884 nan 8.190 nan 0.000 0.471 44 D N 3.848 124.275 120.400 0.046 0.000 2.414 44 D HA 0.358 4.998 4.640 0.000 0.000 0.232 44 D C 0.712 177.001 176.300 -0.017 0.000 1.070 44 D CA -0.376 53.638 54.000 0.023 0.000 0.839 44 D CB 1.552 42.364 40.800 0.021 0.000 1.079 44 D HN 0.372 nan 8.370 nan 0.000 0.521 45 L N 2.702 123.903 121.223 -0.038 0.000 2.376 45 L HA -0.061 4.279 4.340 0.000 0.000 0.219 45 L C 2.270 179.088 176.870 -0.086 0.000 1.133 45 L CA 0.546 55.316 54.840 -0.116 0.000 0.816 45 L CB -0.129 41.859 42.059 -0.117 0.000 0.933 45 L HN 0.527 nan 8.230 nan 0.000 0.449 46 Q N -0.050 119.729 119.800 -0.035 0.000 2.061 46 Q HA -0.275 4.066 4.340 0.000 0.000 0.204 46 Q C 2.238 178.220 176.000 -0.029 0.000 0.984 46 Q CA 1.836 57.627 55.803 -0.021 0.000 0.846 46 Q CB 0.014 28.754 28.738 0.003 0.000 0.902 46 Q HN 0.548 nan 8.270 nan 0.000 0.421 47 Q N -0.491 119.294 119.800 -0.025 0.000 2.137 47 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 47 Q C 2.000 177.979 176.000 -0.035 0.000 0.960 47 Q CA 0.679 56.471 55.803 -0.019 0.000 0.847 47 Q CB 0.212 28.949 28.738 -0.003 0.000 0.915 47 Q HN 0.332 nan 8.270 nan 0.000 0.448 48 I N 0.263 120.792 120.570 -0.069 0.000 2.252 48 I HA -0.132 4.038 4.170 0.000 0.000 0.245 48 I C 1.163 177.206 176.117 -0.122 0.000 1.102 48 I CA 1.191 62.426 61.300 -0.108 0.000 1.385 48 I CB -1.266 36.593 38.000 -0.236 0.000 1.064 48 I HN 0.206 nan 8.210 nan 0.000 0.414 49 A N 0.929 123.672 122.820 -0.129 0.000 2.739 49 A HA -0.212 4.108 4.320 0.000 0.000 0.296 49 A C 0.409 177.927 177.584 -0.109 0.000 1.488 49 A CA 0.193 52.173 52.037 -0.095 0.000 0.746 49 A CB -2.492 16.478 19.000 -0.049 0.000 1.047 49 A HN 0.394 nan 8.150 nan 0.000 0.477 50 L N 0.325 121.439 121.223 -0.181 0.000 2.462 50 L HA 0.291 4.631 4.340 0.000 0.000 0.272 50 L C -1.560 175.245 176.870 -0.108 0.000 1.166 50 L CA -1.448 53.291 54.840 -0.168 0.000 0.880 50 L CB 0.186 42.077 42.059 -0.281 0.000 1.142 50 L HN 0.257 nan 8.230 nan 0.000 0.473 51 P HA 0.032 nan 4.420 nan 0.000 0.271 51 P C 0.565 177.815 177.300 -0.084 0.000 1.218 51 P CA -0.342 62.737 63.100 -0.035 0.000 0.780 51 P CB 0.940 32.647 31.700 0.012 0.000 0.901 52 L N 1.591 122.722 121.223 -0.153 0.000 2.127 52 L HA -0.097 4.243 4.340 0.000 0.000 0.203 52 L C 1.110 177.718 176.870 -0.437 0.000 1.080 52 L CA 1.637 56.242 54.840 -0.392 0.000 0.768 52 L CB -0.090 41.538 42.059 -0.718 0.000 0.924 52 L HN 0.425 nan 8.230 nan 0.000 0.444 53 Y N -0.761 119.545 120.300 0.011 0.000 2.535 53 Y HA 0.135 4.685 4.550 0.000 0.000 0.266 53 Y C 0.675 176.585 175.900 0.017 0.000 1.088 53 Y CA -0.469 57.640 58.100 0.015 0.000 1.285 53 Y CB 0.281 38.748 38.460 0.011 0.000 1.166 53 Y HN 0.046 nan 8.280 nan 0.000 0.525 54 E N 1.752 122.041 120.200 0.148 0.000 1.893 54 E HA 0.082 4.432 4.350 0.000 0.000 0.269 54 E C -0.999 175.641 176.600 0.067 0.000 1.129 54 E CA -0.125 56.334 56.400 0.099 0.000 0.904 54 E CB 0.080 29.828 29.700 0.079 0.000 1.077 54 E HN 0.019 nan 8.360 nan 0.000 0.407 55 D N 2.152 122.594 120.400 0.070 0.000 2.440 55 D HA 0.093 4.734 4.640 0.000 0.000 0.239 55 D C 0.086 176.425 176.300 0.064 0.000 1.084 55 D CA -0.488 53.550 54.000 0.064 0.000 0.843 55 D CB 1.275 42.114 40.800 0.066 0.000 1.097 55 D HN 0.157 nan 8.370 nan 0.000 0.531 56 D N 1.038 121.477 120.400 0.064 0.000 2.097 56 D HA -0.106 4.534 4.640 0.000 0.000 0.197 56 D C -0.005 176.337 176.300 0.070 0.000 0.984 56 D CA 0.928 54.966 54.000 0.063 0.000 0.826 56 D CB 0.120 40.959 40.800 0.064 0.000 0.973 56 D HN 0.487 nan 8.370 nan 0.000 0.460 57 D N 1.027 121.481 120.400 0.090 0.000 2.472 57 D HA -0.047 4.593 4.640 0.000 0.000 0.248 57 D C 0.692 177.041 176.300 0.082 0.000 1.174 57 D CA 0.406 54.468 54.000 0.104 0.000 0.883 57 D CB 1.149 42.044 40.800 0.158 0.000 1.149 57 D HN 0.036 nan 8.370 nan 0.000 0.488 58 E N 1.420 121.659 120.200 0.065 0.000 2.400 58 E HA 0.079 4.430 4.350 0.000 0.000 0.195 58 E C -0.070 176.560 176.600 0.049 0.000 1.012 58 E CA 0.002 56.433 56.400 0.051 0.000 0.875 58 E CB 0.230 29.952 29.700 0.038 0.000 0.859 58 E HN 0.371 nan 8.360 nan 0.000 0.498 59 L N 1.229 122.485 121.223 0.055 0.000 2.360 59 L HA 0.179 4.519 4.340 0.000 0.000 0.276 59 L C 0.033 176.940 176.870 0.062 0.000 1.121 59 L CA 0.087 54.952 54.840 0.041 0.000 0.845 59 L CB 0.558 42.631 42.059 0.023 0.000 1.143 59 L HN 0.029 nan 8.230 nan 0.000 0.452 60 I N 6.517 127.108 120.570 0.035 0.000 2.683 60 I HA -0.021 4.149 4.170 0.000 0.000 0.286 60 I C -1.138 175.005 176.117 0.044 0.000 1.175 60 I CA -0.995 60.325 61.300 0.034 0.000 1.429 60 I CB 0.616 38.609 38.000 -0.012 0.000 1.371 60 I HN 0.567 nan 8.210 nan 0.000 0.569 61 P HA -0.198 nan 4.420 nan 0.000 0.221 61 P C 1.153 178.527 177.300 0.124 0.000 1.145 61 P CA 0.983 64.218 63.100 0.225 0.000 0.795 61 P CB 0.191 32.120 31.700 0.382 0.000 0.775 62 A N -0.413 122.313 122.820 -0.157 0.000 2.015 62 A HA -0.202 4.118 4.320 0.000 0.000 0.219 62 A C 2.129 179.622 177.584 -0.152 0.000 1.163 62 A CA 1.224 52.979 52.037 -0.470 0.000 0.646 62 A CB -1.007 17.462 19.000 -0.884 0.000 0.806 62 A HN 0.209 nan 8.150 nan 0.000 0.448 63 Q N -0.783 118.956 119.800 -0.101 0.000 2.369 63 Q HA 0.148 4.488 4.340 0.000 0.000 0.206 63 Q C -0.128 175.820 176.000 -0.087 0.000 0.963 63 Q CA 0.165 55.924 55.803 -0.074 0.000 0.894 63 Q CB 0.000 28.703 28.738 -0.058 0.000 0.965 63 Q HN 0.622 nan 8.270 nan 0.000 0.475 64 I N 1.780 122.293 120.570 -0.095 0.000 2.396 64 I HA -0.025 4.145 4.170 0.000 0.000 0.289 64 I C 0.981 176.923 176.117 -0.293 0.000 1.056 64 I CA -0.033 61.139 61.300 -0.214 0.000 1.365 64 I CB 0.945 38.722 38.000 -0.372 0.000 1.407 64 I HN 0.033 nan 8.210 nan 0.000 0.509 65 K N 3.803 124.001 120.400 -0.337 0.000 2.284 65 K HA 0.114 4.434 4.320 0.000 0.000 0.198 65 K C 0.549 176.791 176.600 -0.596 0.000 1.048 65 K CA 0.421 56.471 56.287 -0.396 0.000 0.987 65 K CB 0.361 32.728 32.500 -0.220 0.000 0.800 65 K HN 0.664 nan 8.250 nan 0.000 0.486 66 S N -0.979 114.439 115.700 -0.471 0.000 2.556 66 S HA 0.225 4.695 4.470 0.000 0.000 0.271 66 S C 1.072 175.579 174.600 -0.156 0.000 1.135 66 S CA -0.799 57.223 58.200 -0.296 0.000 0.858 66 S CB 1.784 64.894 63.200 -0.151 0.000 1.114 66 S HN -0.185 nan 8.310 nan 0.000 0.468 67 V N 1.758 121.722 119.914 0.084 0.000 2.439 67 V HA -0.188 3.932 4.120 0.000 0.000 0.253 67 V C 2.173 178.367 176.094 0.165 0.000 1.074 67 V CA 2.356 64.805 62.300 0.247 0.000 1.076 67 V CB -0.936 31.023 31.823 0.226 0.000 0.664 67 V HN 0.897 nan 8.190 nan 0.000 0.461 68 D N 0.003 120.430 120.400 0.045 0.000 2.144 68 D HA -0.170 4.470 4.640 0.000 0.000 0.199 68 D C 2.196 178.504 176.300 0.013 0.000 0.984 68 D CA 1.370 55.392 54.000 0.037 0.000 0.834 68 D CB -0.101 40.701 40.800 0.004 0.000 0.955 68 D HN 0.599 nan 8.370 nan 0.000 0.465 69 E N -0.304 119.847 120.200 -0.080 0.000 2.209 69 E HA -0.146 4.205 4.350 0.000 0.000 0.196 69 E C 0.141 176.708 176.600 -0.055 0.000 0.993 69 E CA 0.274 56.611 56.400 -0.105 0.000 0.819 69 E CB -0.126 29.459 29.700 -0.191 0.000 0.745 69 E HN 0.439 nan 8.360 nan 0.000 0.477 70 Y N 0.172 120.501 120.300 0.048 0.000 2.729 70 Y HA -0.030 4.520 4.550 0.000 0.000 0.331 70 Y C 1.312 177.241 175.900 0.048 0.000 1.208 70 Y CA -0.427 57.709 58.100 0.059 0.000 1.521 70 Y CB 0.541 39.047 38.460 0.076 0.000 1.233 70 Y HN 0.014 nan 8.280 nan 0.000 0.539 71 A N 2.468 125.409 122.820 0.201 0.000 2.209 71 A HA -0.088 4.232 4.320 0.000 0.000 0.212 71 A C 0.588 178.243 177.584 0.119 0.000 1.158 71 A CA 0.490 52.603 52.037 0.127 0.000 0.742 71 A CB -0.147 18.909 19.000 0.094 0.000 0.790 71 A HN 0.743 nan 8.150 nan 0.000 0.472 72 D N -0.362 120.124 120.400 0.143 0.000 2.256 72 D HA 0.317 4.957 4.640 0.000 0.000 0.240 72 D C 0.830 177.171 176.300 0.069 0.000 1.062 72 D CA 0.313 54.365 54.000 0.087 0.000 0.832 72 D CB 1.617 42.456 40.800 0.065 0.000 1.135 72 D HN 0.229 nan 8.370 nan 0.000 0.484 73 S N 3.960 119.693 115.700 0.055 0.000 2.355 73 S HA -0.132 4.338 4.470 0.000 0.000 0.222 73 S C 1.675 176.298 174.600 0.038 0.000 1.031 73 S CA 0.543 58.772 58.200 0.048 0.000 0.993 73 S CB 0.113 63.337 63.200 0.040 0.000 0.859 73 S HN 0.499 nan 8.310 nan 0.000 0.453 74 K N 0.868 121.285 120.400 0.029 0.000 2.209 74 K HA -0.013 4.307 4.320 0.000 0.000 0.204 74 K C 2.134 178.758 176.600 0.040 0.000 1.048 74 K CA 1.353 57.656 56.287 0.026 0.000 0.940 74 K CB -0.531 31.972 32.500 0.004 0.000 0.729 74 K HN 0.416 nan 8.250 nan 0.000 0.451 75 T N 0.563 115.115 114.554 -0.004 0.000 2.812 75 T HA -0.036 4.314 4.350 0.000 0.000 0.264 75 T C 1.863 176.473 174.700 -0.150 0.000 1.042 75 T CA 0.781 62.827 62.100 -0.090 0.000 1.140 75 T CB 0.022 68.724 68.868 -0.277 0.000 0.870 75 T HN 0.245 nan 8.240 nan 0.000 0.445 76 R N 0.956 121.419 120.500 -0.062 0.000 2.081 76 R HA -0.061 4.279 4.340 0.000 0.000 0.235 76 R C 2.910 179.222 176.300 0.021 0.000 1.131 76 R CA 1.543 57.657 56.100 0.023 0.000 0.960 76 R CB -0.559 29.797 30.300 0.094 0.000 0.856 76 R HN 0.309 nan 8.270 nan 0.000 0.436 77 S N 0.380 116.108 115.700 0.047 0.000 2.383 77 S HA -0.173 4.297 4.470 0.000 0.000 0.227 77 S C 1.650 176.313 174.600 0.106 0.000 1.026 77 S CA 0.810 59.049 58.200 0.064 0.000 0.981 77 S CB -0.297 62.947 63.200 0.074 0.000 0.818 77 S HN 0.613 nan 8.310 nan 0.000 0.472 78 W N 1.290 122.532 121.300 -0.097 0.000 2.363 78 W HA -0.117 4.543 4.660 0.000 0.000 0.296 78 W C 2.498 178.922 176.519 -0.158 0.000 1.212 78 W CA 1.099 58.377 57.345 -0.110 0.000 1.260 78 W CB -0.597 28.796 29.460 -0.111 0.000 1.131 78 W HN 0.480 nan 8.180 nan 0.000 0.530 79 S N 0.815 116.324 115.700 -0.318 0.000 2.348 79 S HA -0.232 4.238 4.470 0.000 0.000 0.221 79 S C 1.923 176.317 174.600 -0.344 0.000 1.033 79 S CA 1.641 59.575 58.200 -0.443 0.000 1.010 79 S CB -0.457 62.632 63.200 -0.185 0.000 0.891 79 S HN 0.308 nan 8.310 nan 0.000 0.442 80 R N 0.024 120.423 120.500 -0.168 0.000 2.115 80 R HA -0.138 4.203 4.340 0.000 0.000 0.239 80 R C 2.277 178.475 176.300 -0.169 0.000 1.133 80 R CA 2.267 58.294 56.100 -0.120 0.000 0.935 80 R CB -0.696 29.577 30.300 -0.044 0.000 0.853 80 R HN 0.473 nan 8.270 nan 0.000 0.433 81 I N -0.297 120.178 120.570 -0.158 0.000 2.163 81 I HA -0.310 3.861 4.170 0.000 0.000 0.243 81 I C 2.237 178.173 176.117 -0.302 0.000 1.085 81 I CA 1.347 62.558 61.300 -0.149 0.000 1.347 81 I CB -0.185 37.816 38.000 0.002 0.000 1.044 81 I HN 0.026 nan 8.210 nan 0.000 0.408 82 V N 0.104 119.663 119.914 -0.592 0.000 2.323 82 V HA -0.277 3.843 4.120 0.000 0.000 0.244 82 V C 2.058 177.828 176.094 -0.540 0.000 1.041 82 V CA 2.265 64.119 62.300 -0.743 0.000 1.025 82 V CB -0.886 30.126 31.823 -1.352 0.000 0.656 82 V HN 0.476 nan 8.190 nan 0.000 0.451 83 N N -0.190 118.217 118.700 -0.488 0.000 2.289 83 N HA -0.146 4.594 4.740 0.000 0.000 0.184 83 N C 1.823 177.204 175.510 -0.215 0.000 1.016 83 N CA 0.991 53.835 53.050 -0.342 0.000 0.872 83 N CB -0.131 38.191 38.487 -0.275 0.000 0.973 83 N HN 0.483 nan 8.380 nan 0.000 0.433 84 A N 0.968 123.673 122.820 -0.191 0.000 1.930 84 A HA -0.006 4.314 4.320 0.000 0.000 0.217 84 A C 0.971 178.487 177.584 -0.113 0.000 1.175 84 A CA 0.570 52.532 52.037 -0.125 0.000 0.627 84 A CB -0.485 18.453 19.000 -0.103 0.000 0.815 84 A HN 0.215 nan 8.150 nan 0.000 0.443 85 L N -0.067 121.072 121.223 -0.140 0.000 2.492 85 L HA 0.021 4.361 4.340 0.000 0.000 0.280 85 L C 0.810 177.630 176.870 -0.084 0.000 1.240 85 L CA -0.255 54.519 54.840 -0.109 0.000 0.831 85 L CB 0.164 42.146 42.059 -0.128 0.000 1.100 85 L HN 0.312 nan 8.230 nan 0.000 0.505 86 D N 0.608 120.971 120.400 -0.062 0.000 2.725 86 D HA 0.311 4.951 4.640 0.000 0.000 0.269 86 D C 0.332 176.610 176.300 -0.036 0.000 1.018 86 D CA 0.907 54.881 54.000 -0.044 0.000 0.956 86 D CB 0.684 41.464 40.800 -0.035 0.000 1.141 86 D HN 0.253 nan 8.370 nan 0.000 0.478 87 I N 1.048 121.592 120.570 -0.043 0.000 2.569 87 I HA 0.365 4.535 4.170 0.000 0.000 0.296 87 I C -0.698 175.376 176.117 -0.072 0.000 1.028 87 I CA -0.746 60.528 61.300 -0.042 0.000 1.082 87 I CB 2.864 40.844 38.000 -0.034 0.000 1.264 87 I HN -0.285 nan 8.210 nan 0.000 0.429 88 I N 5.535 126.050 120.570 -0.092 0.000 2.465 88 I HA 0.387 4.557 4.170 0.000 0.000 0.291 88 I C -0.798 175.180 176.117 -0.231 0.000 1.014 88 I CA -0.799 60.379 61.300 -0.205 0.000 1.093 88 I CB 2.133 39.968 38.000 -0.275 0.000 1.267 88 I HN 0.145 nan 8.210 nan 0.000 0.431 89 V N 6.692 126.460 119.914 -0.243 0.000 2.326 89 V HA 0.317 4.438 4.120 0.000 0.000 0.281 89 V C -0.487 175.508 176.094 -0.165 0.000 1.015 89 V CA -0.546 61.669 62.300 -0.142 0.000 0.823 89 V CB 0.703 32.492 31.823 -0.057 0.000 1.009 89 V HN 0.373 nan 8.190 nan 0.000 0.436 90 F N 3.914 123.876 119.950 0.019 0.000 2.462 90 F HA 0.275 4.802 4.527 0.000 0.000 0.360 90 F C 0.527 176.345 175.800 0.029 0.000 1.134 90 F CA -0.106 57.903 58.000 0.014 0.000 1.148 90 F CB 0.893 39.869 39.000 -0.040 0.000 1.147 90 F HN 0.194 nan 8.300 nan 0.000 0.550 91 V N 3.689 123.728 119.914 0.209 0.000 2.334 91 V HA 0.376 4.496 4.120 0.000 0.000 0.267 91 V C 0.156 176.395 176.094 0.241 0.000 1.040 91 V CA -0.204 62.227 62.300 0.219 0.000 0.866 91 V CB 1.140 33.073 31.823 0.184 0.000 1.019 91 V HN 0.783 nan 8.190 nan 0.000 0.468 92 T N 7.461 122.106 114.554 0.152 0.000 2.912 92 T HA 0.598 4.948 4.350 0.000 0.000 0.299 92 T C -2.951 171.376 174.700 -0.623 0.000 1.052 92 T CA -1.823 60.218 62.100 -0.098 0.000 0.996 92 T CB 2.507 71.309 68.868 -0.109 0.000 1.070 92 T HN 0.430 nan 8.240 nan 0.000 0.465 93 P HA 0.268 nan 4.420 nan 0.000 0.278 93 P C -1.311 175.598 177.300 -0.652 0.000 1.266 93 P CA -0.547 61.881 63.100 -1.119 0.000 0.807 93 P CB 0.699 32.009 31.700 -0.650 0.000 1.094 94 Q N 0.745 120.304 119.800 -0.402 0.000 2.347 94 Q HA 0.301 4.641 4.340 0.000 0.000 0.262 94 Q C -1.454 174.586 176.000 0.067 0.000 0.980 94 Q CA -0.488 55.207 55.803 -0.180 0.000 0.867 94 Q CB 0.463 29.148 28.738 -0.089 0.000 1.242 94 Q HN 0.458 nan 8.270 nan 0.000 0.453 95 Y N 4.102 124.376 120.300 -0.043 0.000 2.369 95 Y HA 0.231 4.781 4.550 0.000 0.000 0.337 95 Y C 0.085 175.979 175.900 -0.011 0.000 0.961 95 Y CA -1.358 56.727 58.100 -0.026 0.000 1.186 95 Y CB 1.090 39.527 38.460 -0.039 0.000 1.139 95 Y HN 0.789 nan 8.280 nan 0.000 0.494 96 N N 3.822 122.630 118.700 0.179 0.000 2.688 96 N HA -0.241 4.499 4.740 0.000 0.000 0.258 96 N C -0.946 174.670 175.510 0.177 0.000 1.016 96 N CA 1.214 54.310 53.050 0.077 0.000 0.747 96 N CB -0.942 37.509 38.487 -0.060 0.000 0.895 96 N HN 0.951 nan 8.380 nan 0.000 0.543 97 W N -3.243 118.031 121.300 -0.044 0.000 3.834 97 W HA -0.203 4.457 4.660 0.000 0.000 0.320 97 W C 1.007 177.457 176.519 -0.115 0.000 1.201 97 W CA 0.703 58.009 57.345 -0.064 0.000 0.701 97 W CB -1.950 27.479 29.460 -0.053 0.000 2.264 97 W HN 0.574 nan 8.180 nan 0.000 1.413 98 G N -1.531 107.295 108.800 0.043 0.000 2.788 98 G HA2 0.693 4.653 3.960 0.000 0.000 0.293 98 G HA3 0.693 4.653 3.960 0.000 0.000 0.293 98 G C -1.062 173.717 174.900 -0.202 0.000 1.392 98 G CA -0.481 44.502 45.100 -0.194 0.000 0.810 98 G HN 0.185 nan 8.290 nan 0.000 0.508 99 Y N -0.698 119.549 120.300 -0.088 0.000 2.335 99 Y HA 0.692 5.242 4.550 0.000 0.000 0.323 99 Y C -2.165 173.638 175.900 -0.161 0.000 1.224 99 Y CA -3.556 54.438 58.100 -0.177 0.000 1.241 99 Y CB -0.039 38.305 38.460 -0.194 0.000 1.235 99 Y HN 0.265 nan 8.280 nan 0.000 0.492 100 P HA 0.118 nan 4.420 nan 0.000 0.271 100 P C 0.164 177.521 177.300 0.095 0.000 1.218 100 P CA 0.058 63.120 63.100 -0.063 0.000 0.780 100 P CB 1.330 32.850 31.700 -0.300 0.000 0.901 101 A N 2.968 125.863 122.820 0.126 0.000 1.933 101 A HA -0.092 4.228 4.320 0.000 0.000 0.218 101 A C 2.168 179.773 177.584 0.035 0.000 1.175 101 A CA 1.951 54.038 52.037 0.084 0.000 0.628 101 A CB -1.457 17.579 19.000 0.060 0.000 0.814 101 A HN 0.577 nan 8.150 nan 0.000 0.444 102 A N -0.601 122.238 122.820 0.032 0.000 1.933 102 A HA -0.021 4.299 4.320 0.000 0.000 0.218 102 A C 2.104 179.670 177.584 -0.030 0.000 1.175 102 A CA 1.742 53.774 52.037 -0.009 0.000 0.628 102 A CB -0.488 18.516 19.000 0.006 0.000 0.814 102 A HN 0.668 nan 8.150 nan 0.000 0.444 103 L N -0.679 120.533 121.223 -0.019 0.000 2.131 103 L HA 0.039 4.379 4.340 0.000 0.000 0.206 103 L C 2.131 178.953 176.870 -0.080 0.000 1.087 103 L CA 2.414 57.234 54.840 -0.034 0.000 0.767 103 L CB -0.509 41.511 42.059 -0.065 0.000 0.917 103 L HN 0.266 nan 8.230 nan 0.000 0.441 104 K N 0.056 120.409 120.400 -0.077 0.000 2.097 104 K HA -0.182 4.138 4.320 0.000 0.000 0.205 104 K C 2.012 178.592 176.600 -0.034 0.000 1.050 104 K CA 1.619 57.841 56.287 -0.108 0.000 0.938 104 K CB -0.501 32.020 32.500 0.036 0.000 0.718 104 K HN 0.451 nan 8.250 nan 0.000 0.442 105 N N -0.052 118.639 118.700 -0.015 0.000 2.120 105 N HA -0.103 4.637 4.740 0.000 0.000 0.188 105 N C 1.455 176.976 175.510 0.019 0.000 1.024 105 N CA 1.679 54.720 53.050 -0.016 0.000 0.852 105 N CB -0.312 38.137 38.487 -0.062 0.000 1.003 105 N HN 0.246 nan 8.380 nan 0.000 0.424 106 A N 0.366 123.189 122.820 0.005 0.000 1.898 106 A HA -0.016 4.304 4.320 0.000 0.000 0.216 106 A C 2.319 180.202 177.584 0.498 0.000 1.181 106 A CA 1.012 53.088 52.037 0.064 0.000 0.620 106 A CB -0.707 18.221 19.000 -0.120 0.000 0.819 106 A HN 0.397 nan 8.150 nan 0.000 0.442 107 I N -0.200 120.563 120.570 0.322 0.000 2.252 107 I HA -0.208 3.962 4.170 0.000 0.000 0.245 107 I C 1.481 177.794 176.117 0.328 0.000 1.102 107 I CA 1.401 62.861 61.300 0.266 0.000 1.385 107 I CB -0.303 37.533 38.000 -0.273 0.000 1.064 107 I HN 0.213 nan 8.210 nan 0.000 0.414 108 D N 0.385 120.902 120.400 0.195 0.000 2.317 108 D HA -0.061 4.579 4.640 0.000 0.000 0.211 108 D C 2.192 178.650 176.300 0.264 0.000 0.966 108 D CA 0.587 54.701 54.000 0.191 0.000 0.876 108 D CB -0.086 40.772 40.800 0.098 0.000 0.927 108 D HN 0.232 nan 8.370 nan 0.000 0.519 109 R N -0.322 120.358 120.500 0.300 0.000 2.189 109 R HA 0.091 4.432 4.340 0.000 0.000 0.218 109 R C 0.596 177.081 176.300 0.309 0.000 1.074 109 R CA 0.481 56.741 56.100 0.267 0.000 0.991 109 R CB 0.287 30.727 30.300 0.233 0.000 0.883 109 R HN 0.190 nan 8.270 nan 0.000 0.457 110 L N -2.172 119.308 121.223 0.428 0.000 2.286 110 L HA 0.320 4.660 4.340 0.000 0.000 0.265 110 L C 0.157 177.362 176.870 0.558 0.000 1.012 110 L CA -0.691 54.358 54.840 0.349 0.000 0.818 110 L CB 1.296 43.308 42.059 -0.079 0.000 1.337 110 L HN -0.143 nan 8.230 nan 0.000 0.438 111 Y N -0.716 119.743 120.300 0.265 0.000 3.260 111 Y HA -0.017 4.533 4.550 0.000 0.000 0.202 111 Y C 2.342 178.382 175.900 0.233 0.000 0.962 111 Y CA 0.293 58.603 58.100 0.350 0.000 1.582 111 Y CB 0.155 38.792 38.460 0.295 0.000 1.478 111 Y HN 0.718 nan 8.280 nan 0.000 0.384 112 H N -0.239 118.954 119.070 0.206 0.000 2.491 112 H HA -0.020 4.536 4.556 0.000 0.000 0.290 112 H C 0.763 176.063 175.328 -0.047 0.000 1.050 112 H CA 1.628 57.717 56.048 0.067 0.000 1.309 112 H CB -0.183 29.631 29.762 0.088 0.000 1.392 112 H HN 0.438 nan 8.280 nan 0.000 0.554 113 E N 0.645 120.445 120.200 -0.667 0.000 2.274 113 E HA -0.082 4.268 4.350 0.000 0.000 0.194 113 E C 1.452 177.764 176.600 -0.481 0.000 0.996 113 E CA 1.093 57.093 56.400 -0.667 0.000 0.840 113 E CB -0.275 28.858 29.700 -0.945 0.000 0.772 113 E HN 0.641 nan 8.360 nan 0.000 0.491 114 W N 0.236 121.438 121.300 -0.163 0.000 2.658 114 W HA 0.022 4.682 4.660 0.000 0.000 0.263 114 W C 1.015 177.485 176.519 -0.081 0.000 1.274 114 W CA -0.212 57.063 57.345 -0.117 0.000 1.343 114 W CB -0.044 29.341 29.460 -0.126 0.000 1.106 114 W HN 0.046 nan 8.180 nan 0.000 0.615 115 H N 1.082 120.164 119.070 0.019 0.000 3.187 115 H HA 0.083 4.640 4.556 0.000 0.000 0.286 115 H C 1.379 176.717 175.328 0.017 0.000 0.944 115 H CA 1.639 57.684 56.048 -0.004 0.000 1.429 115 H CB 0.268 30.018 29.762 -0.020 0.000 1.483 115 H HN 0.413 nan 8.280 nan 0.000 0.555 116 G N 4.348 113.074 108.800 -0.123 0.000 2.234 116 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 116 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 116 G C 0.642 175.560 174.900 0.031 0.000 0.987 116 G CA 0.476 45.564 45.100 -0.020 0.000 0.625 116 G HN 0.641 nan 8.290 nan 0.000 0.532 117 K N 1.888 122.323 120.400 0.057 0.000 2.412 117 K HA 0.411 4.731 4.320 0.000 0.000 0.281 117 K C -2.166 174.468 176.600 0.058 0.000 1.027 117 K CA -1.279 55.042 56.287 0.058 0.000 0.989 117 K CB 0.656 33.206 32.500 0.084 0.000 0.935 117 K HN 0.108 nan 8.250 nan 0.000 0.475 118 P HA 0.071 nan 4.420 nan 0.000 0.271 118 P C -1.626 175.701 177.300 0.044 0.000 1.216 118 P CA -0.157 62.963 63.100 0.034 0.000 0.776 118 P CB 1.288 32.998 31.700 0.016 0.000 0.881 119 A N 3.285 126.142 122.820 0.061 0.000 2.437 119 A HA 0.616 4.936 4.320 0.000 0.000 0.293 119 A C -1.591 176.046 177.584 0.087 0.000 1.038 119 A CA -0.571 51.519 52.037 0.089 0.000 0.708 119 A CB 0.766 19.887 19.000 0.202 0.000 1.251 119 A HN 0.521 nan 8.150 nan 0.000 0.409 120 L N 3.067 124.333 121.223 0.072 0.000 2.329 120 L HA 0.804 5.145 4.340 0.000 0.000 0.279 120 L C -1.165 175.778 176.870 0.121 0.000 1.014 120 L CA -0.397 54.485 54.840 0.070 0.000 0.814 120 L CB 2.039 44.120 42.059 0.035 0.000 1.257 120 L HN 0.410 nan 8.230 nan 0.000 0.424 121 V N 5.983 125.959 119.914 0.103 0.000 2.328 121 V HA 0.354 4.474 4.120 0.000 0.000 0.278 121 V C -0.343 175.796 176.094 0.075 0.000 1.021 121 V CA -0.572 61.797 62.300 0.116 0.000 0.838 121 V CB 1.494 33.337 31.823 0.034 0.000 0.999 121 V HN 0.548 nan 8.190 nan 0.000 0.447 122 V N 5.569 125.544 119.914 0.100 0.000 2.288 122 V HA 0.320 4.440 4.120 0.000 0.000 0.266 122 V C 0.654 176.818 176.094 0.115 0.000 1.048 122 V CA -0.203 62.153 62.300 0.092 0.000 0.842 122 V CB 1.120 33.008 31.823 0.109 0.000 1.064 122 V HN 0.974 nan 8.190 nan 0.000 0.472 123 S N 5.285 121.015 115.700 0.051 0.000 2.672 123 S HA 0.846 5.316 4.470 0.000 0.000 0.276 123 S C -0.704 173.942 174.600 0.076 0.000 1.207 123 S CA -0.507 57.686 58.200 -0.012 0.000 1.002 123 S CB 1.547 64.700 63.200 -0.078 0.000 0.998 123 S HN 0.756 nan 8.310 nan 0.000 0.542 124 Y N -2.503 117.777 120.300 -0.035 0.000 2.638 124 Y HA 0.885 5.435 4.550 0.000 0.000 0.335 124 Y C -0.092 175.802 175.900 -0.010 0.000 1.155 124 Y CA -0.667 57.413 58.100 -0.033 0.000 1.046 124 Y CB 0.999 39.441 38.460 -0.031 0.000 1.303 124 Y HN 1.163 nan 8.280 nan 0.000 0.460 125 G N -0.344 108.554 108.800 0.163 0.000 2.317 125 G HA2 0.383 4.343 3.960 0.000 0.000 0.293 125 G HA3 0.383 4.343 3.960 0.000 0.000 0.293 125 G C 0.306 175.254 174.900 0.079 0.000 1.287 125 G CA -0.246 44.907 45.100 0.088 0.000 0.850 125 G HN 1.274 nan 8.290 nan 0.000 0.515 126 G N -1.408 107.395 108.800 0.006 0.000 2.442 126 G HA2 -0.041 3.919 3.960 0.000 0.000 0.219 126 G HA3 -0.041 3.919 3.960 0.000 0.000 0.219 126 G C 0.873 175.795 174.900 0.037 0.000 1.141 126 G CA 1.542 46.610 45.100 -0.052 0.000 0.763 126 G HN 0.724 nan 8.290 nan 0.000 0.554 127 H N -1.340 117.738 119.070 0.013 0.000 2.510 127 H HA 0.384 4.940 4.556 0.000 0.000 0.266 127 H C 1.578 176.902 175.328 -0.007 0.000 1.146 127 H CA -0.244 55.802 56.048 -0.003 0.000 0.993 127 H CB 0.722 30.464 29.762 -0.034 0.000 1.727 127 H HN 0.404 nan 8.280 nan 0.000 0.590 128 G N 0.343 109.211 108.800 0.114 0.000 2.195 128 G HA2 -0.280 3.680 3.960 0.000 0.000 0.246 128 G HA3 -0.280 3.680 3.960 0.000 0.000 0.246 128 G C 1.009 175.915 174.900 0.011 0.000 0.984 128 G CA -0.130 45.005 45.100 0.059 0.000 0.633 128 G HN 0.871 nan 8.290 nan 0.000 0.525 129 G N -0.512 108.281 108.800 -0.011 0.000 2.314 129 G HA2 -0.033 3.927 3.960 0.000 0.000 0.292 129 G HA3 -0.033 3.927 3.960 0.000 0.000 0.292 129 G C 1.076 175.934 174.900 -0.071 0.000 1.059 129 G CA 1.030 46.088 45.100 -0.070 0.000 0.982 129 G HN 1.483 nan 8.290 nan 0.000 0.505 130 S N -0.691 114.972 115.700 -0.062 0.000 2.406 130 S HA -0.026 4.444 4.470 0.000 0.000 0.228 130 S C 2.413 176.964 174.600 -0.080 0.000 1.020 130 S CA 1.566 59.729 58.200 -0.062 0.000 0.965 130 S CB -0.067 63.099 63.200 -0.057 0.000 0.798 130 S HN 0.727 nan 8.310 nan 0.000 0.488 131 K N 0.470 120.800 120.400 -0.118 0.000 2.057 131 K HA -0.067 4.253 4.320 0.000 0.000 0.206 131 K C 2.499 179.070 176.600 -0.048 0.000 1.050 131 K CA 1.260 57.481 56.287 -0.111 0.000 0.935 131 K CB -0.502 31.878 32.500 -0.199 0.000 0.715 131 K HN 0.434 nan 8.250 nan 0.000 0.439 132 C N 1.924 121.194 119.300 -0.049 0.000 2.429 132 C HA -0.099 4.361 4.460 0.000 0.000 0.277 132 C C 2.494 177.474 174.990 -0.017 0.000 1.262 132 C CA 0.996 59.998 59.018 -0.027 0.000 1.733 132 C CB -1.083 26.610 27.740 -0.078 0.000 2.010 132 C HN 0.466 nan 8.230 nan 0.000 0.483 133 N N 0.933 119.603 118.700 -0.051 0.000 2.120 133 N HA -0.129 4.611 4.740 0.000 0.000 0.188 133 N C 1.317 176.791 175.510 -0.059 0.000 1.024 133 N CA 2.007 55.023 53.050 -0.057 0.000 0.852 133 N CB -0.566 37.892 38.487 -0.047 0.000 1.003 133 N HN 0.579 nan 8.380 nan 0.000 0.424 134 D N 0.621 120.995 120.400 -0.043 0.000 2.097 134 D HA -0.099 4.541 4.640 0.000 0.000 0.197 134 D C 1.963 178.245 176.300 -0.030 0.000 0.984 134 D CA 0.797 54.774 54.000 -0.039 0.000 0.826 134 D CB -0.236 40.549 40.800 -0.025 0.000 0.973 134 D HN 0.424 nan 8.370 nan 0.000 0.460 135 Q N -0.197 119.614 119.800 0.019 0.000 2.124 135 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 135 Q C 2.211 178.275 176.000 0.107 0.000 0.977 135 Q CA 0.626 56.490 55.803 0.101 0.000 0.850 135 Q CB -0.090 28.727 28.738 0.131 0.000 0.901 135 Q HN 0.189 nan 8.270 nan 0.000 0.429 136 L N 0.825 122.057 121.223 0.014 0.000 2.109 136 L HA -0.152 4.188 4.340 0.000 0.000 0.207 136 L C 2.107 178.767 176.870 -0.350 0.000 1.086 136 L CA 1.653 56.329 54.840 -0.274 0.000 0.760 136 L CB -0.298 41.572 42.059 -0.315 0.000 0.910 136 L HN 0.134 nan 8.230 nan 0.000 0.437 137 Q N -0.538 119.092 119.800 -0.284 0.000 2.124 137 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 137 Q C 2.029 177.661 176.000 -0.614 0.000 0.977 137 Q CA 1.927 57.475 55.803 -0.426 0.000 0.850 137 Q CB -0.077 28.457 28.738 -0.340 0.000 0.901 137 Q HN 0.644 nan 8.270 nan 0.000 0.429 138 E N -0.283 119.725 120.200 -0.321 0.000 2.106 138 E HA -0.151 4.199 4.350 0.000 0.000 0.192 138 E C 2.051 178.577 176.600 -0.124 0.000 0.984 138 E CA 1.136 57.452 56.400 -0.141 0.000 0.806 138 E CB 0.096 29.793 29.700 -0.004 0.000 0.750 138 E HN 0.116 nan 8.360 nan 0.000 0.458 139 V N 1.138 120.934 119.914 -0.197 0.000 2.358 139 V HA -0.225 3.895 4.120 0.000 0.000 0.246 139 V C 2.127 178.058 176.094 -0.272 0.000 1.047 139 V CA 1.152 63.312 62.300 -0.233 0.000 1.035 139 V CB -0.269 31.311 31.823 -0.406 0.000 0.658 139 V HN 0.217 nan 8.190 nan 0.000 0.452 140 L N -0.426 120.582 121.223 -0.358 0.000 2.046 140 L HA -0.154 4.186 4.340 0.000 0.000 0.208 140 L C 2.316 179.104 176.870 -0.137 0.000 1.077 140 L CA 1.870 56.519 54.840 -0.318 0.000 0.747 140 L CB -1.449 40.413 42.059 -0.329 0.000 0.896 140 L HN 0.458 nan 8.230 nan 0.000 0.432 141 H N -1.559 117.443 119.070 -0.114 0.000 2.352 141 H HA -0.136 4.420 4.556 0.000 0.000 0.299 141 H C 2.090 177.378 175.328 -0.066 0.000 1.097 141 H CA 0.755 56.757 56.048 -0.076 0.000 1.311 141 H CB -0.137 29.594 29.762 -0.052 0.000 1.377 141 H HN 0.444 nan 8.280 nan 0.000 0.504 142 G N 0.410 109.250 108.800 0.067 0.000 2.443 142 G HA2 -0.169 3.791 3.960 0.000 0.000 0.219 142 G HA3 -0.169 3.791 3.960 0.000 0.000 0.219 142 G C 1.313 176.239 174.900 0.043 0.000 1.131 142 G CA 0.429 45.561 45.100 0.054 0.000 0.775 142 G HN 0.256 nan 8.290 nan 0.000 0.547 143 L N -0.622 120.573 121.223 -0.047 0.000 2.612 143 L HA 0.250 4.590 4.340 0.000 0.000 0.230 143 L C 0.827 177.611 176.870 -0.142 0.000 1.140 143 L CA -0.088 54.676 54.840 -0.127 0.000 0.896 143 L CB 0.026 41.953 42.059 -0.221 0.000 1.065 143 L HN 0.126 nan 8.230 nan 0.000 0.447 144 K N 0.057 120.402 120.400 -0.091 0.000 3.071 144 K HA -0.182 4.138 4.320 0.000 0.000 0.265 144 K C -0.060 176.433 176.600 -0.178 0.000 1.060 144 K CA 0.634 56.829 56.287 -0.154 0.000 0.767 144 K CB -1.328 31.015 32.500 -0.262 0.000 1.241 144 K HN 0.354 nan 8.250 nan 0.000 0.486 145 M N 0.568 120.130 119.600 -0.064 0.000 2.255 145 M HA 0.057 4.538 4.480 0.000 0.000 0.336 145 M C 0.787 177.093 176.300 0.010 0.000 1.135 145 M CA 0.060 55.355 55.300 -0.009 0.000 1.145 145 M CB 0.716 33.334 32.600 0.031 0.000 1.473 145 M HN 0.141 nan 8.290 nan 0.000 0.462 146 N N 1.899 120.609 118.700 0.015 0.000 2.605 146 N HA 0.183 4.924 4.740 0.000 0.000 0.258 146 N C -1.288 174.253 175.510 0.052 0.000 1.156 146 N CA -0.403 52.662 53.050 0.026 0.000 1.008 146 N CB 0.500 38.996 38.487 0.015 0.000 1.354 146 N HN 0.374 nan 8.380 nan 0.000 0.509 147 V N 5.931 125.896 119.914 0.085 0.000 2.381 147 V HA 0.010 4.130 4.120 0.000 0.000 0.257 147 V C 1.718 177.855 176.094 0.072 0.000 1.057 147 V CA -0.056 62.293 62.300 0.082 0.000 1.013 147 V CB 0.183 32.067 31.823 0.101 0.000 1.069 147 V HN 0.711 nan 8.190 nan 0.000 0.484 148 I N 3.584 124.184 120.570 0.051 0.000 2.118 148 I HA -0.037 4.133 4.170 0.000 0.000 0.241 148 I C 1.457 177.599 176.117 0.042 0.000 1.070 148 I CA 2.062 63.386 61.300 0.040 0.000 1.327 148 I CB -0.150 37.869 38.000 0.032 0.000 1.034 148 I HN 0.835 nan 8.210 nan 0.000 0.405 149 G N -1.448 107.376 108.800 0.039 0.000 2.368 149 G HA2 0.441 4.401 3.960 0.000 0.000 0.269 149 G HA3 0.441 4.401 3.960 0.000 0.000 0.269 149 G C -1.111 173.803 174.900 0.023 0.000 1.291 149 G CA -0.233 44.887 45.100 0.033 0.000 0.903 149 G HN 0.468 nan 8.290 nan 0.000 0.483 150 G N -1.768 107.045 108.800 0.022 0.000 2.718 150 G HA2 0.692 4.652 3.960 0.000 0.000 0.295 150 G HA3 0.692 4.652 3.960 0.000 0.000 0.295 150 G C -1.880 173.034 174.900 0.024 0.000 1.421 150 G CA -0.163 44.948 45.100 0.018 0.000 0.902 150 G HN 1.367 nan 8.290 nan 0.000 0.501 151 V N 0.750 120.679 119.914 0.024 0.000 2.483 151 V HA 0.704 4.824 4.120 0.000 0.000 0.297 151 V C 0.281 176.360 176.094 -0.026 0.000 1.027 151 V CA -0.694 61.620 62.300 0.022 0.000 0.855 151 V CB 1.492 33.342 31.823 0.045 0.000 0.995 151 V HN 1.251 nan 8.190 nan 0.000 0.424 152 A N 5.141 127.941 122.820 -0.033 0.000 2.252 152 A HA 0.737 5.057 4.320 0.000 0.000 0.309 152 A C -0.493 176.986 177.584 -0.175 0.000 1.285 152 A CA -0.369 51.637 52.037 -0.053 0.000 0.900 152 A CB 0.750 19.749 19.000 -0.003 0.000 1.157 152 A HN 0.691 nan 8.150 nan 0.000 0.536 153 V N 4.075 123.863 119.914 -0.210 0.000 2.328 153 V HA 0.221 4.341 4.120 0.000 0.000 0.278 153 V C 0.443 176.527 176.094 -0.015 0.000 1.021 153 V CA -0.612 61.470 62.300 -0.363 0.000 0.838 153 V CB 1.002 32.637 31.823 -0.313 0.000 0.999 153 V HN 0.949 nan 8.190 nan 0.000 0.447 154 K N 5.855 126.312 120.400 0.095 0.000 2.350 154 K HA 0.560 4.880 4.320 0.000 0.000 0.279 154 K C -0.453 176.199 176.600 0.088 0.000 1.027 154 K CA -0.201 56.158 56.287 0.121 0.000 0.969 154 K CB 0.611 33.198 32.500 0.145 0.000 0.954 154 K HN 0.753 nan 8.250 nan 0.000 0.474 155 I N 0.824 121.446 120.570 0.087 0.000 2.934 155 I HA 0.585 4.755 4.170 0.000 0.000 0.306 155 I C -2.572 173.578 176.117 0.054 0.000 1.110 155 I CA -2.948 58.385 61.300 0.054 0.000 1.019 155 I CB 2.086 40.120 38.000 0.057 0.000 1.227 155 I HN 0.507 nan 8.210 nan 0.000 0.434 156 P HA 0.200 nan 4.420 nan 0.000 0.276 156 P C -0.766 176.556 177.300 0.037 0.000 1.230 156 P CA -0.160 62.959 63.100 0.031 0.000 0.776 156 P CB 1.698 33.409 31.700 0.019 0.000 0.888 157 V N 2.559 122.493 119.914 0.033 0.000 2.435 157 V HA 0.574 4.695 4.120 0.000 0.000 0.290 157 V C 1.240 177.351 176.094 0.029 0.000 1.030 157 V CA 0.964 63.288 62.300 0.040 0.000 0.881 157 V CB 0.636 32.479 31.823 0.033 0.000 0.983 157 V HN 0.992 nan 8.190 nan 0.000 0.445 158 G N 4.181 113.001 108.800 0.033 0.000 2.218 158 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 158 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 158 G C 0.301 175.213 174.900 0.020 0.000 0.994 158 G CA 0.043 45.157 45.100 0.023 0.000 0.637 158 G HN 0.692 nan 8.290 nan 0.000 0.505 159 T N 1.724 116.290 114.554 0.020 0.000 2.801 159 T HA 0.686 5.036 4.350 0.000 0.000 0.306 159 T C -0.078 174.631 174.700 0.014 0.000 1.020 159 T CA -0.068 62.041 62.100 0.014 0.000 0.948 159 T CB 1.241 70.115 68.868 0.010 0.000 0.962 159 T HN 0.367 nan 8.240 nan 0.000 0.465 160 I N 4.869 125.447 120.570 0.014 0.000 2.498 160 I HA 0.385 4.555 4.170 0.000 0.000 0.290 160 I C -1.815 174.307 176.117 0.009 0.000 1.032 160 I CA -2.358 58.949 61.300 0.013 0.000 1.073 160 I CB 2.105 40.119 38.000 0.023 0.000 1.251 160 I HN 0.407 nan 8.210 nan 0.000 0.426 161 P HA 0.240 nan 4.420 nan 0.000 0.271 161 P C -0.386 176.911 177.300 -0.005 0.000 1.244 161 P CA -0.476 62.624 63.100 -0.001 0.000 0.793 161 P CB 0.645 32.343 31.700 -0.002 0.000 0.984 162 L N 1.092 122.306 121.223 -0.015 0.000 2.529 162 L HA 0.036 4.376 4.340 0.000 0.000 0.287 162 L C -1.730 175.133 176.870 -0.012 0.000 1.241 162 L CA -1.350 53.479 54.840 -0.018 0.000 0.857 162 L CB -0.912 41.124 42.059 -0.038 0.000 1.113 162 L HN 0.298 nan 8.230 nan 0.000 0.504 163 P HA -0.078 nan 4.420 nan 0.000 0.262 163 P C 0.359 177.653 177.300 -0.010 0.000 1.182 163 P CA 0.263 63.359 63.100 -0.007 0.000 0.761 163 P CB 0.480 32.177 31.700 -0.004 0.000 0.795 164 E N 2.581 122.777 120.200 -0.007 0.000 2.204 164 E HA -0.244 4.106 4.350 0.000 0.000 0.195 164 E C 0.901 177.496 176.600 -0.008 0.000 0.990 164 E CA 1.325 57.721 56.400 -0.007 0.000 0.821 164 E CB 0.016 29.714 29.700 -0.002 0.000 0.750 164 E HN 0.507 nan 8.360 nan 0.000 0.477 165 D N -0.026 120.369 120.400 -0.008 0.000 2.310 165 D HA -0.157 4.483 4.640 0.000 0.000 0.212 165 D C 1.566 177.857 176.300 -0.015 0.000 0.965 165 D CA 0.420 54.415 54.000 -0.008 0.000 0.879 165 D CB -0.113 40.683 40.800 -0.006 0.000 0.921 165 D HN 0.232 nan 8.370 nan 0.000 0.510 166 I N 0.299 120.857 120.570 -0.020 0.000 2.852 166 I HA -0.080 4.091 4.170 0.000 0.000 0.264 166 I C 2.192 178.277 176.117 -0.053 0.000 1.179 166 I CA 0.191 61.472 61.300 -0.032 0.000 1.480 166 I CB -0.037 37.945 38.000 -0.030 0.000 1.111 166 I HN -0.111 nan 8.210 nan 0.000 0.441 167 V N 2.026 121.913 119.914 -0.045 0.000 2.295 167 V HA -0.176 3.944 4.120 0.000 0.000 0.246 167 V C -0.189 175.879 176.094 -0.045 0.000 1.049 167 V CA 2.007 64.275 62.300 -0.054 0.000 1.024 167 V CB -1.973 29.838 31.823 -0.020 0.000 0.648 167 V HN 0.302 nan 8.190 nan 0.000 0.447 168 P HA -0.155 nan 4.420 nan 0.000 0.217 168 P C 1.476 178.769 177.300 -0.011 0.000 1.150 168 P CA 1.255 64.357 63.100 0.005 0.000 0.832 168 P CB -0.105 31.598 31.700 0.005 0.000 0.787 169 Q N -0.977 118.800 119.800 -0.039 0.000 2.444 169 Q HA 0.103 4.444 4.340 0.000 0.000 0.206 169 Q C 1.717 177.664 176.000 -0.088 0.000 0.948 169 Q CA 0.186 55.960 55.803 -0.049 0.000 0.946 169 Q CB -0.411 28.303 28.738 -0.041 0.000 1.027 169 Q HN 0.326 nan 8.270 nan 0.000 0.513 170 L N 0.415 121.541 121.223 -0.161 0.000 2.291 170 L HA -0.095 4.245 4.340 0.000 0.000 0.214 170 L C 2.209 178.955 176.870 -0.208 0.000 1.120 170 L CA 0.946 55.577 54.840 -0.349 0.000 0.799 170 L CB -0.327 41.200 42.059 -0.887 0.000 0.925 170 L HN 0.263 nan 8.230 nan 0.000 0.446 171 S N -0.503 115.219 115.700 0.037 0.000 2.603 171 S HA -0.062 4.408 4.470 0.000 0.000 0.229 171 S C 1.811 176.475 174.600 0.106 0.000 0.972 171 S CA 0.537 58.890 58.200 0.255 0.000 0.935 171 S CB -0.668 62.651 63.200 0.198 0.000 0.769 171 S HN 0.338 nan 8.310 nan 0.000 0.536 172 V N -0.919 118.967 119.914 -0.046 0.000 2.594 172 V HA -0.112 4.008 4.120 0.000 0.000 0.253 172 V C 1.924 177.909 176.094 -0.181 0.000 1.069 172 V CA 1.532 63.728 62.300 -0.172 0.000 1.082 172 V CB -1.283 30.340 31.823 -0.335 0.000 0.680 172 V HN 0.667 nan 8.190 nan 0.000 0.469 173 H N 0.274 119.422 119.070 0.129 0.000 2.533 173 H HA 0.223 4.779 4.556 0.000 0.000 0.271 173 H C 1.650 177.078 175.328 0.168 0.000 1.000 173 H CA 0.647 56.788 56.048 0.156 0.000 1.149 173 H CB -0.067 29.815 29.762 0.201 0.000 1.375 173 H HN 0.478 nan 8.280 nan 0.000 0.582 174 N N 1.419 120.257 118.700 0.230 0.000 2.025 174 N HA -0.147 4.593 4.740 0.000 0.000 0.194 174 N C 1.831 177.384 175.510 0.073 0.000 1.044 174 N CA 1.031 54.155 53.050 0.123 0.000 0.851 174 N CB -0.152 38.388 38.487 0.088 0.000 1.036 174 N HN 0.475 nan 8.380 nan 0.000 0.422 175 E N 0.443 120.678 120.200 0.059 0.000 2.065 175 E HA -0.280 4.070 4.350 0.000 0.000 0.201 175 E C 1.829 178.456 176.600 0.046 0.000 1.016 175 E CA 1.391 57.815 56.400 0.039 0.000 0.818 175 E CB -0.173 29.544 29.700 0.028 0.000 0.749 175 E HN 0.522 nan 8.360 nan 0.000 0.453 176 E N 0.534 120.776 120.200 0.070 0.000 2.072 176 E HA -0.161 4.189 4.350 0.000 0.000 0.191 176 E C 2.148 178.785 176.600 0.062 0.000 0.985 176 E CA 0.717 57.160 56.400 0.070 0.000 0.801 176 E CB -0.001 29.759 29.700 0.101 0.000 0.750 176 E HN 0.214 nan 8.360 nan 0.000 0.452 177 I N 0.670 121.283 120.570 0.073 0.000 2.252 177 I HA -0.273 3.897 4.170 0.000 0.000 0.245 177 I C 2.272 178.398 176.117 0.015 0.000 1.102 177 I CA 0.827 62.152 61.300 0.042 0.000 1.385 177 I CB -0.156 37.862 38.000 0.031 0.000 1.064 177 I HN 0.191 nan 8.210 nan 0.000 0.414 178 L N 0.081 121.310 121.223 0.010 0.000 2.056 178 L HA -0.223 4.117 4.340 0.000 0.000 0.207 178 L C 2.716 179.589 176.870 0.005 0.000 1.078 178 L CA 1.283 56.122 54.840 -0.001 0.000 0.749 178 L CB -0.734 41.323 42.059 -0.003 0.000 0.901 178 L HN 0.348 nan 8.230 nan 0.000 0.433 179 Q N 0.801 120.610 119.800 0.014 0.000 2.030 179 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 179 Q C 2.359 178.367 176.000 0.013 0.000 0.986 179 Q CA 1.910 57.721 55.803 0.014 0.000 0.843 179 Q CB -0.219 28.531 28.738 0.019 0.000 0.904 179 Q HN 0.507 nan 8.270 nan 0.000 0.420 180 L N 0.363 121.597 121.223 0.018 0.000 2.131 180 L HA -0.188 4.152 4.340 0.000 0.000 0.210 180 L C 2.477 179.354 176.870 0.011 0.000 1.092 180 L CA 0.667 55.518 54.840 0.018 0.000 0.759 180 L CB -0.168 41.906 42.059 0.025 0.000 0.903 180 L HN 0.285 nan 8.230 nan 0.000 0.435 181 L N -1.224 120.002 121.223 0.006 0.000 2.102 181 L HA -0.030 4.310 4.340 0.000 0.000 0.202 181 L C 2.733 179.601 176.870 -0.003 0.000 1.076 181 L CA 0.933 55.772 54.840 -0.002 0.000 0.761 181 L CB -0.393 41.659 42.059 -0.011 0.000 0.921 181 L HN 0.157 nan 8.230 nan 0.000 0.444 182 A N -0.432 122.386 122.820 -0.003 0.000 1.978 182 A HA -0.200 4.121 4.320 0.000 0.000 0.220 182 A C 2.403 179.987 177.584 -0.001 0.000 1.170 182 A CA 2.043 54.077 52.037 -0.004 0.000 0.636 182 A CB -0.593 18.405 19.000 -0.003 0.000 0.810 182 A HN 0.487 nan 8.150 nan 0.000 0.448 183 S N -1.028 114.674 115.700 0.002 0.000 2.368 183 S HA -0.207 4.263 4.470 0.000 0.000 0.225 183 S C 1.963 176.565 174.600 0.003 0.000 1.030 183 S CA 1.170 59.372 58.200 0.004 0.000 0.999 183 S CB -1.089 62.115 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