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 2yzm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PFXXXXXXXT PGRAELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.492 32.600 -0.179 0.000 1.302 2 R N 3.035 123.538 120.500 0.005 0.000 2.502 2 R HA 0.800 5.140 4.340 -0.000 0.000 0.298 2 R C -2.087 174.323 176.300 0.183 0.000 1.018 2 R CA -0.494 55.666 56.100 0.100 0.000 0.899 2 R CB 1.883 32.207 30.300 0.041 0.000 1.181 2 R HN 0.635 nan 8.270 nan 0.000 0.444 3 V N 4.951 124.986 119.914 0.202 0.000 2.513 3 V HA 0.452 4.572 4.120 -0.000 0.000 0.299 3 V C -0.330 175.820 176.094 0.093 0.000 1.035 3 V CA -0.973 61.420 62.300 0.155 0.000 0.889 3 V CB 1.966 33.853 31.823 0.106 0.000 0.988 3 V HN 0.513 nan 8.190 nan 0.000 0.440 4 L N 6.079 127.229 121.223 -0.122 0.000 2.280 4 L HA 0.627 4.967 4.340 -0.000 0.000 0.287 4 L C -0.788 176.005 176.870 -0.128 0.000 1.023 4 L CA -0.194 54.373 54.840 -0.455 0.000 0.819 4 L CB 1.215 42.657 42.059 -1.027 0.000 1.212 4 L HN 0.622 nan 8.230 nan 0.000 0.420 5 L N 6.649 127.805 121.223 -0.111 0.000 2.289 5 L HA 0.600 4.940 4.340 -0.000 0.000 0.285 5 L C -0.803 176.015 176.870 -0.086 0.000 1.049 5 L CA 0.107 54.892 54.840 -0.093 0.000 0.804 5 L CB 0.907 42.858 42.059 -0.181 0.000 1.195 5 L HN 0.564 nan 8.230 nan 0.000 0.428 6 I N 5.376 125.918 120.570 -0.046 0.000 2.406 6 I HA 0.772 4.942 4.170 -0.000 0.000 0.290 6 I C -0.120 175.913 176.117 -0.140 0.000 0.999 6 I CA -0.451 60.806 61.300 -0.072 0.000 1.124 6 I CB 1.581 39.587 38.000 0.010 0.000 1.289 6 I HN 0.807 nan 8.210 nan 0.000 0.441 7 A N 3.897 126.603 122.820 -0.191 0.000 2.564 7 A HA 0.985 5.305 4.320 -0.000 0.000 0.288 7 A C 0.114 177.547 177.584 -0.252 0.000 1.164 7 A CA 0.007 51.918 52.037 -0.211 0.000 0.712 7 A CB 1.416 20.300 19.000 -0.193 0.000 1.303 7 A HN 1.077 nan 8.150 nan 0.000 0.418 8 G N -0.758 107.865 108.800 -0.294 0.000 3.035 8 G HA2 0.562 4.522 3.960 -0.000 0.000 0.242 8 G HA3 0.562 4.522 3.960 -0.000 0.000 0.242 8 G C 1.377 176.162 174.900 -0.191 0.000 1.524 8 G CA 1.037 45.875 45.100 -0.436 0.000 1.038 8 G HN 3.167 nan 8.290 nan 0.000 0.561 9 G N -2.545 106.242 108.800 -0.022 0.000 2.612 9 G HA2 0.329 4.289 3.960 -0.000 0.000 0.686 9 G HA3 0.329 4.289 3.960 -0.000 0.000 0.686 9 G C 0.873 175.881 174.900 0.179 0.000 1.274 9 G CA 1.252 46.385 45.100 0.054 0.000 0.849 9 G HN 2.260 nan 8.290 nan 0.000 0.595 10 V N -1.590 118.402 119.914 0.130 0.000 3.235 10 V HA 0.427 4.546 4.120 -0.000 0.000 0.259 10 V C 1.785 177.911 176.094 0.053 0.000 1.133 10 V CA 1.654 64.013 62.300 0.098 0.000 1.128 10 V CB -0.397 31.505 31.823 0.133 0.000 0.757 10 V HN 2.184 nan 8.190 nan 0.000 0.469 11 S N 1.106 116.838 115.700 0.053 0.000 2.589 11 S HA 0.299 4.769 4.470 -0.000 0.000 0.265 11 S C -1.305 173.327 174.600 0.054 0.000 1.342 11 S CA -0.309 57.903 58.200 0.021 0.000 1.005 11 S CB 0.498 63.711 63.200 0.022 0.000 0.909 11 S HN 0.263 nan 8.310 nan 0.000 0.555 12 P HA 0.029 nan 4.420 nan 0.000 0.231 12 P C 0.261 177.596 177.300 0.060 0.000 1.158 12 P CA 0.893 64.006 63.100 0.023 0.000 0.763 12 P CB -0.053 31.635 31.700 -0.019 0.000 0.805 13 E N -2.087 118.164 120.200 0.086 0.000 2.419 13 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 13 E C 1.499 178.197 176.600 0.165 0.000 1.040 13 E CA -0.203 56.265 56.400 0.113 0.000 0.900 13 E CB -0.409 29.363 29.700 0.119 0.000 1.054 13 E HN 0.409 nan 8.360 nan 0.000 0.462 14 H N 2.233 121.335 119.070 0.052 0.000 2.289 14 H HA -0.202 4.353 4.556 -0.001 0.000 0.294 14 H C 1.315 176.666 175.328 0.039 0.000 1.095 14 H CA 2.059 58.127 56.048 0.033 0.000 1.256 14 H CB 0.469 30.237 29.762 0.010 0.000 1.359 14 H HN 0.309 nan 8.280 nan 0.000 0.487 15 E N 0.183 120.485 120.200 0.169 0.000 2.072 15 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 15 E C 2.514 179.138 176.600 0.040 0.000 0.985 15 E CA 1.371 57.829 56.400 0.096 0.000 0.801 15 E CB -0.019 29.764 29.700 0.138 0.000 0.750 15 E HN 0.508 nan 8.360 nan 0.000 0.452 16 V N -0.492 119.464 119.914 0.071 0.000 2.626 16 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 16 V C 2.364 178.535 176.094 0.129 0.000 1.067 16 V CA 1.802 64.151 62.300 0.083 0.000 1.081 16 V CB -0.333 31.525 31.823 0.059 0.000 0.686 16 V HN 0.131 nan 8.190 nan 0.000 0.468 17 S N 0.441 116.216 115.700 0.125 0.000 2.356 17 S HA -0.110 4.360 4.470 -0.000 0.000 0.223 17 S C 1.945 176.522 174.600 -0.038 0.000 1.032 17 S CA 1.650 59.885 58.200 0.058 0.000 1.005 17 S CB -0.362 62.787 63.200 -0.084 0.000 0.867 17 S HN 0.456 nan 8.310 nan 0.000 0.449 18 L N 1.749 122.909 121.223 -0.105 0.000 2.046 18 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 18 L C 2.420 179.275 176.870 -0.025 0.000 1.077 18 L CA 1.435 56.215 54.840 -0.100 0.000 0.747 18 L CB -1.686 40.302 42.059 -0.120 0.000 0.896 18 L HN 0.390 nan 8.230 nan 0.000 0.432 19 L N -0.395 120.837 121.223 0.014 0.000 2.012 19 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 19 L C 2.677 179.593 176.870 0.076 0.000 1.073 19 L CA 1.820 56.685 54.840 0.043 0.000 0.748 19 L CB -0.728 41.364 42.059 0.054 0.000 0.891 19 L HN 0.423 nan 8.230 nan 0.000 0.431 20 S N -0.210 115.562 115.700 0.119 0.000 2.423 20 S HA -0.112 4.357 4.470 -0.000 0.000 0.231 20 S C 2.118 176.784 174.600 0.109 0.000 1.014 20 S CA 0.750 59.071 58.200 0.200 0.000 0.965 20 S CB -0.377 63.019 63.200 0.327 0.000 0.785 20 S HN 0.369 nan 8.310 nan 0.000 0.495 21 A N 1.987 124.809 122.820 0.004 0.000 1.902 21 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 21 A C 2.194 179.751 177.584 -0.045 0.000 1.181 21 A CA 1.579 53.564 52.037 -0.087 0.000 0.623 21 A CB -0.892 18.039 19.000 -0.115 0.000 0.818 21 A HN 0.691 nan 8.150 nan 0.000 0.443 22 E N -0.427 119.770 120.200 -0.006 0.000 2.058 22 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 22 E C 2.050 178.672 176.600 0.037 0.000 0.997 22 E CA 1.294 57.696 56.400 0.003 0.000 0.801 22 E CB -0.487 29.220 29.700 0.012 0.000 0.746 22 E HN 0.489 nan 8.360 nan 0.000 0.450 23 G N 0.564 109.429 108.800 0.109 0.000 2.433 23 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 23 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 23 G C 1.686 176.792 174.900 0.342 0.000 1.186 23 G CA 1.078 46.321 45.100 0.237 0.000 0.779 23 G HN 0.252 nan 8.290 nan 0.000 0.543 24 V N 0.644 120.688 119.914 0.218 0.000 2.282 24 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 24 V C 2.800 178.880 176.094 -0.023 0.000 1.057 24 V CA 1.676 63.981 62.300 0.009 0.000 1.032 24 V CB -0.518 31.103 31.823 -0.336 0.000 0.645 24 V HN 0.279 nan 8.190 nan 0.000 0.447 25 L N -0.245 120.946 121.223 -0.053 0.000 2.191 25 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 25 L C 2.453 179.283 176.870 -0.066 0.000 1.103 25 L CA 1.820 56.625 54.840 -0.058 0.000 0.769 25 L CB -0.659 41.363 42.059 -0.061 0.000 0.908 25 L HN 0.239 nan 8.230 nan 0.000 0.438 26 R N -2.126 118.308 120.500 -0.110 0.000 2.275 26 R HA 0.051 4.391 4.340 -0.000 0.000 0.199 26 R C 0.744 176.737 176.300 -0.512 0.000 0.989 26 R CA 0.531 56.443 56.100 -0.314 0.000 1.016 26 R CB 0.050 30.091 30.300 -0.431 0.000 0.918 26 R HN 0.489 nan 8.270 nan 0.000 0.473 27 H N -1.112 118.029 119.070 0.120 0.000 3.398 27 H HA 0.137 4.693 4.556 0.000 0.000 0.260 27 H C 0.089 175.426 175.328 0.014 0.000 1.189 27 H CA -0.483 55.634 56.048 0.115 0.000 1.145 27 H CB 0.787 30.735 29.762 0.310 0.000 1.599 27 H HN -0.016 nan 8.280 nan 0.000 0.615 28 I N 6.022 126.630 120.570 0.064 0.000 2.517 28 I HA 0.051 4.221 4.170 -0.000 0.000 0.285 28 I C -1.534 174.583 176.117 -0.001 0.000 1.106 28 I CA -1.621 59.700 61.300 0.035 0.000 1.402 28 I CB 1.044 39.081 38.000 0.061 0.000 1.399 28 I HN -0.069 nan 8.210 nan 0.000 0.535 29 P HA 0.114 nan 4.420 nan 0.000 0.271 29 P C -0.972 175.987 177.300 -0.567 0.000 1.535 29 P CA 0.419 63.314 63.100 -0.343 0.000 0.820 29 P CB -0.561 30.866 31.700 -0.456 0.000 1.606 30 F N -0.379 119.589 119.950 0.030 0.000 2.613 30 F HA 0.426 4.953 4.527 -0.001 0.000 0.310 30 F C -2.349 173.473 175.800 0.037 0.000 1.085 30 F CA -2.977 55.044 58.000 0.035 0.000 0.945 30 F CB 1.478 40.505 39.000 0.045 0.000 1.298 30 F HN -0.333 nan 8.300 nan 0.000 0.455 31 P HA 0.175 nan 4.420 nan 0.000 0.267 31 P C -0.998 176.404 177.300 0.170 0.000 1.209 31 P CA 0.245 63.438 63.100 0.156 0.000 0.763 31 P CB 0.627 32.402 31.700 0.125 0.000 0.816 32 T N 2.729 117.361 114.554 0.129 0.000 2.886 32 T HA 0.342 4.692 4.350 -0.000 0.000 0.292 32 T C -0.744 174.008 174.700 0.086 0.000 1.012 32 T CA -0.627 61.543 62.100 0.117 0.000 0.982 32 T CB 1.312 70.229 68.868 0.083 0.000 1.018 32 T HN 0.185 nan 8.240 nan 0.000 0.451 33 D N 1.515 121.972 120.400 0.096 0.000 2.268 33 D HA 0.602 5.242 4.640 -0.000 0.000 0.249 33 D C -0.697 175.581 176.300 -0.035 0.000 1.008 33 D CA -0.535 53.502 54.000 0.062 0.000 0.939 33 D CB 1.988 42.890 40.800 0.170 0.000 1.170 33 D HN 0.286 nan 8.370 nan 0.000 0.468 34 L N 0.590 121.795 121.223 -0.030 0.000 2.362 34 L HA 0.706 5.046 4.340 -0.000 0.000 0.275 34 L C -1.344 175.505 176.870 -0.034 0.000 0.998 34 L CA -0.481 54.327 54.840 -0.053 0.000 0.820 34 L CB 1.614 43.646 42.059 -0.045 0.000 1.270 34 L HN 0.420 nan 8.230 nan 0.000 0.415 35 A N 4.571 127.367 122.820 -0.040 0.000 2.355 35 A HA 0.848 5.168 4.320 -0.000 0.000 0.317 35 A C -1.496 176.057 177.584 -0.052 0.000 1.094 35 A CA -0.559 51.494 52.037 0.026 0.000 0.764 35 A CB 1.753 20.830 19.000 0.128 0.000 1.230 35 A HN 0.527 nan 8.150 nan 0.000 0.448 36 V N 3.162 123.049 119.914 -0.043 0.000 2.604 36 V HA 0.420 4.539 4.120 -0.000 0.000 0.305 36 V C -0.456 175.501 176.094 -0.228 0.000 1.043 36 V CA -0.321 61.897 62.300 -0.136 0.000 0.888 36 V CB 1.799 33.586 31.823 -0.059 0.000 0.995 36 V HN 0.775 nan 8.190 nan 0.000 0.429 37 I N 3.990 124.339 120.570 -0.369 0.000 2.321 37 I HA 0.579 4.748 4.170 -0.000 0.000 0.291 37 I C 0.707 176.774 176.117 -0.083 0.000 0.998 37 I CA -0.240 60.797 61.300 -0.439 0.000 1.227 37 I CB 1.570 39.214 38.000 -0.594 0.000 1.368 37 I HN 0.735 nan 8.210 nan 0.000 0.466 38 A N 5.201 128.025 122.820 0.008 0.000 2.313 38 A HA 0.228 4.548 4.320 -0.000 0.000 0.261 38 A C 0.971 178.584 177.584 0.049 0.000 1.090 38 A CA -0.216 51.875 52.037 0.090 0.000 0.807 38 A CB 0.448 19.484 19.000 0.060 0.000 1.055 38 A HN 0.829 nan 8.150 nan 0.000 0.492 39 Q N -0.198 119.555 119.800 -0.078 0.000 2.297 39 Q HA -0.191 4.149 4.340 -0.000 0.000 0.208 39 Q C 0.579 176.565 176.000 -0.023 0.000 0.981 39 Q CA 1.626 57.355 55.803 -0.122 0.000 0.876 39 Q CB -0.094 28.469 28.738 -0.292 0.000 0.921 39 Q HN 0.905 nan 8.270 nan 0.000 0.446 40 D N -1.801 118.601 120.400 0.003 0.000 2.340 40 D HA 0.045 4.685 4.640 -0.000 0.000 0.220 40 D C 1.125 177.471 176.300 0.076 0.000 1.039 40 D CA 0.791 54.812 54.000 0.035 0.000 0.866 40 D CB 0.171 40.990 40.800 0.030 0.000 0.913 40 D HN 0.244 nan 8.370 nan 0.000 0.523 41 G N 0.212 109.065 108.800 0.088 0.000 2.217 41 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 41 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 41 G C 0.340 175.370 174.900 0.217 0.000 0.990 41 G CA -0.094 45.083 45.100 0.128 0.000 0.627 41 G HN 0.455 nan 8.290 nan 0.000 0.522 42 R N -0.601 120.020 120.500 0.201 0.000 2.441 42 R HA 0.459 4.799 4.340 -0.000 0.000 0.284 42 R C -0.215 176.293 176.300 0.347 0.000 1.070 42 R CA -0.523 55.758 56.100 0.301 0.000 1.047 42 R CB 0.533 30.936 30.300 0.173 0.000 1.016 42 R HN 0.208 nan 8.270 nan 0.000 0.477 43 W N 2.698 124.081 121.300 0.139 0.000 2.303 43 W HA 0.363 5.023 4.660 -0.001 0.000 0.334 43 W C -0.233 176.370 176.519 0.139 0.000 1.197 43 W CA -0.320 57.116 57.345 0.151 0.000 1.262 43 W CB 0.396 29.966 29.460 0.183 0.000 1.153 43 W HN 0.239 nan 8.180 nan 0.000 0.596 44 L N 3.631 125.043 121.223 0.315 0.000 2.356 44 L HA 0.541 4.880 4.340 -0.000 0.000 0.277 44 L C -0.389 176.614 176.870 0.221 0.000 0.996 44 L CA -0.754 54.212 54.840 0.209 0.000 0.822 44 L CB 0.849 42.971 42.059 0.105 0.000 1.256 44 L HN 0.185 nan 8.230 nan 0.000 0.413 45 L N 1.578 122.934 121.223 0.222 0.000 2.303 45 L HA 0.774 5.114 4.340 -0.000 0.000 0.266 45 L C 1.143 178.072 176.870 0.098 0.000 1.011 45 L CA -0.537 54.395 54.840 0.153 0.000 0.818 45 L CB 1.567 43.707 42.059 0.135 0.000 1.326 45 L HN 0.788 nan 8.230 nan 0.000 0.435 46 G N 0.953 109.792 108.800 0.065 0.000 2.652 46 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.318 46 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.318 46 G C 0.859 175.784 174.900 0.041 0.000 1.295 46 G CA 1.090 46.219 45.100 0.049 0.000 0.999 46 G HN 0.889 nan 8.290 nan 0.000 0.548 47 E N 0.652 120.874 120.200 0.037 0.000 2.086 47 E HA -0.162 4.188 4.350 -0.000 0.000 0.200 47 E C 2.437 179.055 176.600 0.029 0.000 1.012 47 E CA 2.580 58.997 56.400 0.029 0.000 0.812 47 E CB -0.367 29.348 29.700 0.025 0.000 0.743 47 E HN 0.662 nan 8.360 nan 0.000 0.453 48 K N -0.192 120.230 120.400 0.037 0.000 2.147 48 K HA -0.055 4.264 4.320 -0.000 0.000 0.205 48 K C 2.162 178.784 176.600 0.036 0.000 1.049 48 K CA 0.953 57.261 56.287 0.035 0.000 0.936 48 K CB -0.190 32.332 32.500 0.037 0.000 0.722 48 K HN 0.239 nan 8.250 nan 0.000 0.446 49 A N 1.712 124.557 122.820 0.042 0.000 1.873 49 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 49 A C 2.150 179.741 177.584 0.013 0.000 1.186 49 A CA 1.151 53.207 52.037 0.031 0.000 0.616 49 A CB -0.612 18.409 19.000 0.033 0.000 0.823 49 A HN 0.136 nan 8.150 nan 0.000 0.442 50 L N -0.696 120.535 121.223 0.013 0.000 2.046 50 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 50 L C 2.810 179.684 176.870 0.007 0.000 1.077 50 L CA 1.808 56.651 54.840 0.005 0.000 0.747 50 L CB -1.144 40.919 42.059 0.007 0.000 0.896 50 L HN 0.348 nan 8.230 nan 0.000 0.432 51 T N 0.090 114.652 114.554 0.013 0.000 2.684 51 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 51 T C 2.025 176.735 174.700 0.016 0.000 1.036 51 T CA 1.512 63.621 62.100 0.014 0.000 1.148 51 T CB -0.310 68.567 68.868 0.016 0.000 0.863 51 T HN 0.468 nan 8.240 nan 0.000 0.436 52 A N 1.786 124.618 122.820 0.020 0.000 1.902 52 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 52 A C 2.289 179.884 177.584 0.018 0.000 1.181 52 A CA 1.065 53.120 52.037 0.029 0.000 0.623 52 A CB -0.839 18.183 19.000 0.037 0.000 0.818 52 A HN 0.426 nan 8.150 nan 0.000 0.443 53 L N 0.194 121.417 121.223 0.000 0.000 2.042 53 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 53 L C 2.080 178.949 176.870 -0.002 0.000 1.076 53 L CA 2.665 57.497 54.840 -0.013 0.000 0.749 53 L CB -1.083 40.963 42.059 -0.022 0.000 0.893 53 L HN 0.558 nan 8.230 nan 0.000 0.432 54 E N -0.239 119.963 120.200 0.004 0.000 2.208 54 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 54 E C 1.953 178.562 176.600 0.014 0.000 0.988 54 E CA 0.935 57.339 56.400 0.007 0.000 0.828 54 E CB -0.089 29.615 29.700 0.006 0.000 0.763 54 E HN 0.599 nan 8.360 nan 0.000 0.478 55 A N 0.722 123.554 122.820 0.019 0.000 2.238 55 A HA -0.012 4.308 4.320 -0.000 0.000 0.208 55 A C 0.759 178.364 177.584 0.035 0.000 1.177 55 A CA 0.404 52.457 52.037 0.026 0.000 0.804 55 A CB -0.054 18.963 19.000 0.029 0.000 0.823 55 A HN 0.084 nan 8.150 nan 0.000 0.482 56 K N -3.389 117.031 120.400 0.033 0.000 3.472 56 K HA -0.186 4.134 4.320 -0.000 0.000 0.315 56 K C -0.023 176.627 176.600 0.084 0.000 1.320 56 K CA 1.135 57.446 56.287 0.041 0.000 0.962 56 K CB -2.194 30.329 32.500 0.038 0.000 1.251 56 K HN 1.518 nan 8.250 nan 0.000 0.443 57 A N -1.195 121.695 122.820 0.116 0.000 2.590 57 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 57 A C -1.614 176.088 177.584 0.197 0.000 1.050 57 A CA -0.264 51.922 52.037 0.247 0.000 0.697 57 A CB 1.380 20.471 19.000 0.151 0.000 1.277 57 A HN 0.620 nan 8.150 nan 0.000 0.411 58 A N 3.129 126.122 122.820 0.287 0.000 2.646 58 A HA 0.737 5.057 4.320 -0.000 0.000 0.312 58 A C -2.274 175.302 177.584 -0.014 0.000 1.245 58 A CA -1.436 50.676 52.037 0.125 0.000 0.755 58 A CB 0.569 19.667 19.000 0.164 0.000 1.132 58 A HN 0.375 nan 8.150 nan 0.000 0.458 59 P HA -0.163 nan 4.420 nan 0.000 0.214 59 P C 0.319 177.588 177.300 -0.051 0.000 1.163 59 P CA 1.626 64.672 63.100 -0.089 0.000 0.889 59 P CB 0.277 31.948 31.700 -0.049 0.000 0.790 60 E N -1.295 118.898 120.200 -0.012 0.000 2.317 60 E HA 0.603 4.953 4.350 -0.000 0.000 0.270 60 E C -0.408 176.207 176.600 0.026 0.000 0.885 60 E CA -1.136 55.269 56.400 0.008 0.000 0.760 60 E CB 1.745 31.448 29.700 0.005 0.000 1.227 60 E HN -0.061 nan 8.360 nan 0.000 0.434 61 G N 0.417 109.244 108.800 0.045 0.000 2.795 61 G HA2 0.211 4.171 3.960 -0.000 0.000 0.267 61 G HA3 0.211 4.171 3.960 -0.000 0.000 0.267 61 G C 0.052 174.961 174.900 0.016 0.000 1.362 61 G CA -0.232 44.903 45.100 0.058 0.000 1.048 61 G HN 0.743 nan 8.290 nan 0.000 0.547 62 E N -1.738 118.445 120.200 -0.028 0.000 2.256 62 E HA 0.040 4.390 4.350 -0.000 0.000 0.198 62 E C -0.200 176.248 176.600 -0.252 0.000 0.908 62 E CA -0.190 56.089 56.400 -0.202 0.000 0.915 62 E CB 0.262 29.725 29.700 -0.396 0.000 0.890 62 E HN 0.443 nan 8.360 nan 0.000 0.484 63 H N 1.758 120.902 119.070 0.124 0.000 2.519 63 H HA 0.331 4.886 4.556 -0.001 0.000 0.316 63 H C -2.353 173.042 175.328 0.113 0.000 1.065 63 H CA -2.510 53.589 56.048 0.086 0.000 1.264 63 H CB 1.071 30.859 29.762 0.043 0.000 1.413 63 H HN 0.144 nan 8.280 nan 0.000 0.465 64 P HA -0.038 nan 4.420 nan 0.000 0.271 64 P C -0.042 177.301 177.300 0.071 0.000 1.218 64 P CA -0.181 63.004 63.100 0.140 0.000 0.780 64 P CB 0.387 32.135 31.700 0.080 0.000 0.901 65 F N 4.938 124.878 119.950 -0.017 0.000 2.484 65 F HA 0.316 4.843 4.527 0.000 0.000 0.360 65 F C -1.691 173.983 175.800 -0.211 0.000 1.101 65 F CA -1.614 56.272 58.000 -0.191 0.000 1.251 65 F CB 0.003 38.951 39.000 -0.088 0.000 1.132 65 F HN 0.254 nan 8.300 nan 0.000 0.570 66 P HA 0.308 nan 4.420 nan 0.000 0.288 66 P C -2.912 173.927 177.300 -0.770 0.000 1.267 66 P CA -1.551 60.576 63.100 -1.621 0.000 0.815 66 P CB 0.910 31.728 31.700 -1.470 0.000 0.989 67 P HA 0.134 nan 4.420 nan 0.000 0.272 67 P C -2.174 174.896 177.300 -0.383 0.000 1.223 67 P CA -1.432 61.338 63.100 -0.551 0.000 0.784 67 P CB -0.470 30.824 31.700 -0.678 0.000 0.923 68 P HA 0.215 nan 4.420 nan 0.000 0.230 68 P C -0.470 176.651 177.300 -0.299 0.000 1.791 68 P CA 0.291 63.213 63.100 -0.296 0.000 1.020 68 P CB 0.020 31.536 31.700 -0.307 0.000 1.977 69 L N 0.947 121.997 121.223 -0.288 0.000 2.346 69 L HA 0.380 4.720 4.340 -0.000 0.000 0.276 69 L C -0.234 176.429 176.870 -0.345 0.000 1.006 69 L CA -0.687 53.922 54.840 -0.386 0.000 0.817 69 L CB 2.332 43.997 42.059 -0.656 0.000 1.272 69 L HN -0.037 nan 8.230 nan 0.000 0.421 70 S N 3.621 119.171 115.700 -0.248 0.000 2.399 70 S HA 0.119 4.588 4.470 -0.000 0.000 0.301 70 S C 0.132 174.663 174.600 -0.114 0.000 1.093 70 S CA -0.437 57.697 58.200 -0.109 0.000 1.077 70 S CB 0.274 63.424 63.200 -0.083 0.000 0.980 70 S HN 0.621 nan 8.310 nan 0.000 0.494 71 W N 1.456 122.775 121.300 0.031 0.000 2.937 71 W HA 0.079 4.740 4.660 0.002 0.000 0.245 71 W C 1.744 178.294 176.519 0.052 0.000 1.306 71 W CA -0.286 57.128 57.345 0.115 0.000 1.470 71 W CB -0.150 29.326 29.460 0.026 0.000 1.132 71 W HN 0.632 nan 8.180 nan 0.000 0.675 72 E N 0.718 120.994 120.200 0.127 0.000 2.118 72 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 72 E C 1.848 178.400 176.600 -0.081 0.000 0.992 72 E CA 1.125 57.541 56.400 0.027 0.000 0.804 72 E CB -0.414 29.279 29.700 -0.012 0.000 0.741 72 E HN 0.455 nan 8.360 nan 0.000 0.458 73 R N -0.193 120.151 120.500 -0.260 0.000 2.241 73 R HA -0.078 4.262 4.340 -0.000 0.000 0.224 73 R C 0.242 176.149 176.300 -0.654 0.000 1.101 73 R CA 0.642 56.419 56.100 -0.539 0.000 0.995 73 R CB -0.070 29.721 30.300 -0.850 0.000 0.870 73 R HN 0.183 nan 8.270 nan 0.000 0.463 74 Y N -0.609 119.714 120.300 0.039 0.000 2.429 74 Y HA 0.185 4.735 4.550 -0.000 0.000 0.342 74 Y C 0.809 176.734 175.900 0.043 0.000 1.004 74 Y CA -1.106 57.022 58.100 0.047 0.000 1.075 74 Y CB 1.400 39.911 38.460 0.086 0.000 1.214 74 Y HN -0.185 nan 8.280 nan 0.000 0.455 75 D N 1.020 121.508 120.400 0.147 0.000 2.240 75 D HA 0.072 4.712 4.640 -0.000 0.000 0.206 75 D C -0.289 176.044 176.300 0.055 0.000 0.963 75 D CA 1.117 55.150 54.000 0.056 0.000 0.863 75 D CB 0.787 41.573 40.800 -0.023 0.000 0.973 75 D HN 0.172 nan 8.370 nan 0.000 0.501 76 V N 1.275 121.236 119.914 0.079 0.000 2.808 76 V HA 0.255 4.375 4.120 -0.000 0.000 0.308 76 V C -0.323 175.845 176.094 0.124 0.000 1.099 76 V CA -0.870 61.465 62.300 0.058 0.000 0.920 76 V CB 3.000 34.796 31.823 -0.046 0.000 1.014 76 V HN -0.255 nan 8.190 nan 0.000 0.425 77 V N 4.297 124.307 119.914 0.161 0.000 2.483 77 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 77 V C -0.809 175.420 176.094 0.225 0.000 1.035 77 V CA -0.479 61.942 62.300 0.203 0.000 0.896 77 V CB 1.684 33.661 31.823 0.257 0.000 0.986 77 V HN 0.701 nan 8.190 nan 0.000 0.447 78 F N 8.017 127.995 119.950 0.045 0.000 2.359 78 F HA 0.538 5.064 4.527 -0.000 0.000 0.370 78 F C -2.323 173.481 175.800 0.007 0.000 1.077 78 F CA -3.390 54.618 58.000 0.014 0.000 1.136 78 F CB 1.542 40.511 39.000 -0.051 0.000 1.387 78 F HN 0.314 nan 8.300 nan 0.000 0.468 79 P HA 0.046 nan 4.420 nan 0.000 0.277 79 P C -0.068 177.369 177.300 0.228 0.000 1.354 79 P CA -0.209 63.023 63.100 0.220 0.000 0.891 79 P CB 1.270 33.047 31.700 0.130 0.000 1.058 80 L N 5.657 126.933 121.223 0.088 0.000 3.001 80 L HA 0.230 4.570 4.340 -0.000 0.000 0.234 80 L C -0.328 176.391 176.870 -0.251 0.000 1.321 80 L CA -0.230 54.587 54.840 -0.039 0.000 1.138 80 L CB -0.950 40.982 42.059 -0.211 0.000 1.503 80 L HN 0.168 nan 8.230 nan 0.000 0.487 81 L N 0.098 121.198 121.223 -0.205 0.000 2.375 81 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 81 L C 0.128 176.813 176.870 -0.308 0.000 1.058 81 L CA -0.354 54.333 54.840 -0.255 0.000 0.803 81 L CB 1.070 43.074 42.059 -0.092 0.000 1.212 81 L HN 0.218 nan 8.230 nan 0.000 0.451 82 H N -0.035 119.056 119.070 0.035 0.000 2.622 82 H HA 0.567 5.123 4.556 -0.000 0.000 0.363 82 H C 0.639 175.972 175.328 0.008 0.000 1.151 82 H CA 0.180 56.244 56.048 0.027 0.000 1.184 82 H CB 1.863 31.637 29.762 0.021 0.000 1.643 82 H HN 0.754 nan 8.280 nan 0.000 0.531 83 G N 1.663 110.539 108.800 0.126 0.000 2.574 83 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.286 83 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.286 83 G C 0.273 175.169 174.900 -0.006 0.000 1.212 83 G CA 0.344 45.465 45.100 0.035 0.000 0.979 83 G HN 0.704 nan 8.290 nan 0.000 0.557 84 R N 0.061 120.510 120.500 -0.085 0.000 2.538 84 R HA 0.334 4.674 4.340 -0.000 0.000 0.282 84 R C 0.685 176.913 176.300 -0.120 0.000 1.009 84 R CA 0.879 56.841 56.100 -0.230 0.000 1.063 84 R CB -0.781 29.265 30.300 -0.424 0.000 0.945 84 R HN 1.095 nan 8.270 nan 0.000 0.414 85 F N 1.656 121.585 119.950 -0.034 0.000 3.084 85 F HA -0.236 4.291 4.527 0.000 0.000 0.286 85 F C 1.064 176.835 175.800 -0.048 0.000 0.855 85 F CA 1.364 59.328 58.000 -0.060 0.000 1.091 85 F CB -1.818 37.130 39.000 -0.085 0.000 1.177 85 F HN 0.743 nan 8.300 nan 0.000 0.542 86 G N -0.681 108.197 108.800 0.130 0.000 2.645 86 G HA2 0.198 4.158 3.960 -0.000 0.000 0.208 86 G HA3 0.198 4.158 3.960 -0.000 0.000 0.208 86 G C 0.840 175.777 174.900 0.061 0.000 1.264 86 G CA 0.273 45.414 45.100 0.068 0.000 0.586 86 G HN 0.354 nan 8.290 nan 0.000 0.952 87 E N 0.967 121.205 120.200 0.063 0.000 2.538 87 E HA 0.102 4.451 4.350 -0.000 0.000 0.207 87 E C 0.358 176.982 176.600 0.039 0.000 1.002 87 E CA 0.213 56.647 56.400 0.057 0.000 0.952 87 E CB 0.684 30.423 29.700 0.064 0.000 1.031 87 E HN 0.490 nan 8.360 nan 0.000 0.476 88 D N -0.538 119.890 120.400 0.045 0.000 2.328 88 D HA 0.065 4.705 4.640 -0.000 0.000 0.221 88 D C 1.337 177.664 176.300 0.045 0.000 1.072 88 D CA 0.480 54.502 54.000 0.037 0.000 0.850 88 D CB 0.271 41.092 40.800 0.033 0.000 0.922 88 D HN 0.148 nan 8.370 nan 0.000 0.516 89 G N 0.195 109.022 108.800 0.044 0.000 2.179 89 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.260 89 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.260 89 G C 1.249 176.167 174.900 0.030 0.000 0.977 89 G CA 1.103 46.223 45.100 0.034 0.000 0.641 89 G HN 0.571 nan 8.290 nan 0.000 0.533 90 T N -1.546 113.041 114.554 0.056 0.000 2.732 90 T HA 0.036 4.385 4.350 -0.000 0.000 0.261 90 T C 2.250 176.953 174.700 0.006 0.000 1.040 90 T CA 2.111 64.234 62.100 0.037 0.000 1.145 90 T CB -0.506 68.412 68.868 0.083 0.000 0.866 90 T HN 0.552 nan 8.240 nan 0.000 0.427 91 V N 1.981 121.903 119.914 0.013 0.000 2.407 91 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 91 V C 2.938 179.006 176.094 -0.044 0.000 1.055 91 V CA 1.821 64.154 62.300 0.055 0.000 1.049 91 V CB -1.002 30.864 31.823 0.073 0.000 0.662 91 V HN 0.392 nan 8.190 nan 0.000 0.455 92 Q N 0.654 120.359 119.800 -0.159 0.000 2.096 92 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 92 Q C 2.378 178.201 176.000 -0.295 0.000 0.982 92 Q CA 1.972 57.513 55.803 -0.436 0.000 0.850 92 Q CB -0.998 27.628 28.738 -0.187 0.000 0.901 92 Q HN 0.647 nan 8.270 nan 0.000 0.422 93 G N -0.430 108.322 108.800 -0.080 0.000 2.418 93 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 93 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 93 G C 1.293 176.200 174.900 0.011 0.000 1.158 93 G CA 0.541 45.632 45.100 -0.015 0.000 0.771 93 G HN 0.422 nan 8.290 nan 0.000 0.545 94 F N 1.038 120.916 119.950 -0.121 0.000 2.095 94 F HA -0.082 4.445 4.527 -0.001 0.000 0.298 94 F C 2.450 178.112 175.800 -0.230 0.000 1.104 94 F CA 1.142 59.080 58.000 -0.103 0.000 1.232 94 F CB -0.045 38.963 39.000 0.014 0.000 0.987 94 F HN 0.048 nan 8.300 nan 0.000 0.475 95 L N 0.242 121.199 121.223 -0.443 0.000 2.083 95 L HA -0.204 4.135 4.340 -0.000 0.000 0.209 95 L C 2.509 179.167 176.870 -0.354 0.000 1.083 95 L CA 1.096 55.572 54.840 -0.608 0.000 0.752 95 L CB -0.766 40.921 42.059 -0.619 0.000 0.899 95 L HN 0.187 nan 8.230 nan 0.000 0.433 96 E N -0.005 120.079 120.200 -0.193 0.000 2.077 96 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 96 E C 2.238 178.773 176.600 -0.107 0.000 0.989 96 E CA 1.059 57.433 56.400 -0.043 0.000 0.800 96 E CB -0.167 29.544 29.700 0.017 0.000 0.746 96 E HN 0.286 nan 8.360 nan 0.000 0.452 97 L N 0.490 121.622 121.223 -0.151 0.000 2.141 97 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 97 L C 2.352 179.083 176.870 -0.233 0.000 1.094 97 L CA 1.168 55.923 54.840 -0.141 0.000 0.763 97 L CB -0.806 41.208 42.059 -0.074 0.000 0.908 97 L HN 0.108 nan 8.230 nan 0.000 0.437 98 L N -0.850 120.117 121.223 -0.427 0.000 2.478 98 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 98 L C 1.400 178.101 176.870 -0.281 0.000 1.140 98 L CA 0.659 55.203 54.840 -0.493 0.000 0.842 98 L CB -0.580 40.903 42.059 -0.960 0.000 0.953 98 L HN 0.528 nan 8.230 nan 0.000 0.452 99 G N 0.469 109.150 108.800 -0.198 0.000 2.176 99 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 99 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 99 G C 0.087 174.946 174.900 -0.068 0.000 1.024 99 G CA -0.075 44.965 45.100 -0.100 0.000 0.755 99 G HN 0.243 nan 8.290 nan 0.000 0.507 100 K N 0.472 120.819 120.400 -0.088 0.000 2.185 100 K HA 0.435 4.755 4.320 -0.000 0.000 0.269 100 K C -2.533 174.129 176.600 0.102 0.000 0.987 100 K CA -1.856 54.429 56.287 -0.003 0.000 0.865 100 K CB 1.932 34.407 32.500 -0.042 0.000 1.090 100 K HN 0.029 nan 8.250 nan 0.000 0.450 101 P HA 0.078 nan 4.420 nan 0.000 0.271 101 P C -1.222 176.134 177.300 0.093 0.000 1.218 101 P CA 0.080 63.183 63.100 0.005 0.000 0.780 101 P CB 0.233 31.908 31.700 -0.041 0.000 0.901 102 Y N -1.247 119.016 120.300 -0.062 0.000 2.581 102 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 102 Y C -1.064 174.764 175.900 -0.119 0.000 1.108 102 Y CA -1.684 56.376 58.100 -0.067 0.000 1.033 102 Y CB 0.258 38.693 38.460 -0.041 0.000 1.318 102 Y HN -0.004 nan 8.280 nan 0.000 0.459 103 V N 3.327 123.192 119.914 -0.082 0.000 2.715 103 V HA 0.564 4.683 4.120 -0.000 0.000 0.299 103 V C 0.912 176.918 176.094 -0.145 0.000 1.054 103 V CA 1.093 63.219 62.300 -0.290 0.000 1.077 103 V CB 0.253 31.611 31.823 -0.775 0.000 0.972 103 V HN 1.525 nan 8.190 nan 0.000 0.484 104 G N 3.195 111.893 108.800 -0.170 0.000 2.728 104 G HA2 0.234 4.193 3.960 -0.000 0.000 0.294 104 G HA3 0.234 4.193 3.960 -0.000 0.000 0.294 104 G C -0.039 174.835 174.900 -0.043 0.000 1.342 104 G CA -0.305 44.758 45.100 -0.061 0.000 0.866 104 G HN 1.656 nan 8.290 nan 0.000 0.534 105 A N -0.022 122.793 122.820 -0.008 0.000 2.483 105 A HA 0.678 4.997 4.320 -0.000 0.000 0.238 105 A C 1.492 179.128 177.584 0.085 0.000 1.070 105 A CA 1.509 53.531 52.037 -0.026 0.000 0.770 105 A CB 0.039 19.007 19.000 -0.053 0.000 1.008 105 A HN 2.455 nan 8.150 nan 0.000 0.497 106 G N -0.229 108.595 108.800 0.039 0.000 2.516 106 G HA2 0.350 4.310 3.960 -0.000 0.000 0.276 106 G HA3 0.350 4.310 3.960 -0.000 0.000 0.276 106 G C 1.071 176.040 174.900 0.114 0.000 1.390 106 G CA 0.181 45.366 45.100 0.141 0.000 1.050 106 G HN 0.692 nan 8.290 nan 0.000 0.519 107 V N 0.876 120.852 119.914 0.104 0.000 2.261 107 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 107 V C 3.334 179.443 176.094 0.026 0.000 1.047 107 V CA 2.619 64.952 62.300 0.055 0.000 1.015 107 V CB -1.197 30.653 31.823 0.046 0.000 0.642 107 V HN 0.797 nan 8.190 nan 0.000 0.446 108 A N 0.074 122.902 122.820 0.013 0.000 1.865 108 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 108 A C 2.440 180.011 177.584 -0.022 0.000 1.191 108 A CA 2.509 54.542 52.037 -0.006 0.000 0.623 108 A CB -1.037 17.955 19.000 -0.013 0.000 0.826 108 A HN 0.599 nan 8.150 nan 0.000 0.444 109 A N -0.678 122.119 122.820 -0.038 0.000 1.883 109 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 109 A C 2.468 180.023 177.584 -0.048 0.000 1.186 109 A CA 2.230 54.227 52.037 -0.067 0.000 0.624 109 A CB -0.952 17.981 19.000 -0.112 0.000 0.822 109 A HN 0.480 nan 8.150 nan 0.000 0.444 110 S N -0.092 115.597 115.700 -0.018 0.000 2.356 110 S HA -0.049 4.421 4.470 -0.000 0.000 0.223 110 S C 2.329 176.926 174.600 -0.005 0.000 1.032 110 S CA 1.257 59.455 58.200 -0.002 0.000 1.005 110 S CB -0.538 62.678 63.200 0.027 0.000 0.867 110 S HN 0.816 nan 8.310 nan 0.000 0.449 111 A N 0.982 123.803 122.820 0.001 0.000 1.933 111 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 111 A C 2.033 179.610 177.584 -0.012 0.000 1.175 111 A CA 1.183 53.221 52.037 0.001 0.000 0.628 111 A CB -0.548 18.457 19.000 0.009 0.000 0.814 111 A HN 0.364 nan 8.150 nan 0.000 0.444 112 L N -0.881 120.328 121.223 -0.023 0.000 2.072 112 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 112 L C 2.501 179.341 176.870 -0.050 0.000 1.079 112 L CA 1.435 56.255 54.840 -0.034 0.000 0.752 112 L CB -0.950 41.085 42.059 -0.039 0.000 0.906 112 L HN 0.462 nan 8.230 nan 0.000 0.436 113 C N -1.001 118.266 119.300 -0.055 0.000 2.449 113 C HA -0.088 4.372 4.460 -0.000 0.000 0.283 113 C C 2.573 177.526 174.990 -0.062 0.000 1.453 113 C CA 0.448 59.425 59.018 -0.068 0.000 1.779 113 C CB -0.955 26.745 27.740 -0.066 0.000 1.779 113 C HN 0.531 nan 8.230 nan 0.000 0.546 114 M N 0.047 119.620 119.600 -0.044 0.000 2.428 114 M HA 0.160 4.640 4.480 -0.000 0.000 0.239 114 M C 0.099 176.376 176.300 -0.038 0.000 1.121 114 M CA 0.588 55.865 55.300 -0.038 0.000 1.019 114 M CB 0.119 32.706 32.600 -0.021 0.000 1.485 114 M HN 0.093 nan 8.290 nan 0.000 0.484 115 D N 0.878 121.253 120.400 -0.042 0.000 2.454 115 D HA 0.132 4.772 4.640 -0.000 0.000 0.225 115 D C 0.269 176.529 176.300 -0.067 0.000 1.081 115 D CA 0.061 54.041 54.000 -0.034 0.000 0.864 115 D CB 0.878 41.668 40.800 -0.017 0.000 1.040 115 D HN 0.223 nan 8.370 nan 0.000 0.517 116 K N 2.207 122.563 120.400 -0.073 0.000 2.281 116 K HA -0.181 4.139 4.320 -0.000 0.000 0.203 116 K C 1.081 177.560 176.600 -0.202 0.000 1.046 116 K CA 1.189 57.394 56.287 -0.136 0.000 0.938 116 K CB 0.309 32.751 32.500 -0.095 0.000 0.737 116 K HN 0.382 nan 8.250 nan 0.000 0.458 117 D N 0.849 121.204 120.400 -0.075 0.000 2.154 117 D HA -0.062 4.578 4.640 -0.000 0.000 0.211 117 D C 1.812 178.115 176.300 0.005 0.000 0.977 117 D CA 0.817 54.824 54.000 0.012 0.000 0.869 117 D CB -0.013 40.874 40.800 0.146 0.000 1.022 117 D HN -0.006 nan 8.370 nan 0.000 0.461 118 L N 0.671 121.902 121.223 0.015 0.000 2.046 118 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 118 L C 2.691 179.540 176.870 -0.034 0.000 1.077 118 L CA 1.455 56.306 54.840 0.018 0.000 0.747 118 L CB -0.869 41.199 42.059 0.015 0.000 0.896 118 L HN 0.193 nan 8.230 nan 0.000 0.432 119 S N -0.161 115.484 115.700 -0.091 0.000 2.382 119 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 119 S C 1.929 176.423 174.600 -0.177 0.000 1.027 119 S CA 1.014 59.142 58.200 -0.121 0.000 0.991 119 S CB -0.288 62.829 63.200 -0.138 0.000 0.823 119 S HN 0.389 nan 8.310 nan 0.000 0.469 120 K N 1.026 121.229 120.400 -0.328 0.000 2.103 120 K HA 0.077 4.397 4.320 -0.000 0.000 0.204 120 K C 2.609 179.078 176.600 -0.219 0.000 1.052 120 K CA 1.019 56.974 56.287 -0.552 0.000 0.945 120 K CB -0.136 31.471 32.500 -1.488 0.000 0.722 120 K HN 0.399 nan 8.250 nan 0.000 0.443 121 R N 0.419 120.935 120.500 0.027 0.000 2.081 121 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 121 R C 2.292 178.666 176.300 0.124 0.000 1.131 121 R CA 1.167 57.413 56.100 0.243 0.000 0.960 121 R CB -0.520 29.919 30.300 0.233 0.000 0.856 121 R HN -0.011 nan 8.270 nan 0.000 0.436 122 V N 1.762 121.703 119.914 0.045 0.000 2.270 122 V HA -0.215 3.904 4.120 -0.000 0.000 0.245 122 V C 2.361 178.470 176.094 0.025 0.000 1.043 122 V CA 1.683 63.999 62.300 0.027 0.000 1.014 122 V CB -0.442 31.378 31.823 -0.005 0.000 0.645 122 V HN 0.254 nan 8.190 nan 0.000 0.447 123 L N 0.094 121.314 121.223 -0.004 0.000 2.046 123 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 123 L C 2.740 179.642 176.870 0.052 0.000 1.077 123 L CA 1.556 56.398 54.840 0.004 0.000 0.747 123 L CB -0.872 41.161 42.059 -0.043 0.000 0.896 123 L HN 0.364 nan 8.230 nan 0.000 0.432 124 A N -0.592 122.284 122.820 0.093 0.000 1.902 124 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 124 A C 2.312 179.972 177.584 0.127 0.000 1.181 124 A CA 1.643 53.777 52.037 0.163 0.000 0.623 124 A CB -0.570 18.620 19.000 0.315 0.000 0.818 124 A HN 0.421 nan 8.150 nan 0.000 0.443 125 Q N -0.013 119.854 119.800 0.112 0.000 2.170 125 Q HA -0.092 4.247 4.340 -0.000 0.000 0.203 125 Q C 1.994 178.033 176.000 0.064 0.000 0.976 125 Q CA 1.719 57.572 55.803 0.084 0.000 0.858 125 Q CB -0.401 28.382 28.738 0.075 0.000 0.907 125 Q HN 0.562 nan 8.270 nan 0.000 0.433 126 A N -0.699 122.156 122.820 0.058 0.000 2.167 126 A HA 0.252 4.571 4.320 -0.000 0.000 0.214 126 A C 1.485 179.101 177.584 0.053 0.000 1.151 126 A CA 1.215 53.280 52.037 0.047 0.000 0.735 126 A CB -0.266 18.756 19.000 0.036 0.000 0.802 126 A HN 0.587 nan 8.150 nan 0.000 0.467 127 G N -1.961 106.877 108.800 0.064 0.000 2.144 127 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 127 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 127 G C 0.032 174.973 174.900 0.069 0.000 0.988 127 G CA -0.006 45.132 45.100 0.064 0.000 0.659 127 G HN 0.752 nan 8.290 nan 0.000 0.522 128 V N 3.027 122.986 119.914 0.074 0.000 2.432 128 V HA 0.476 4.596 4.120 -0.000 0.000 0.275 128 V C -1.210 174.944 176.094 0.100 0.000 1.043 128 V CA -1.427 60.923 62.300 0.083 0.000 0.925 128 V CB 1.470 33.335 31.823 0.069 0.000 0.985 128 V HN 0.259 nan 8.190 nan 0.000 0.466 129 P HA 0.246 nan 4.420 nan 0.000 0.271 129 P C -0.797 176.634 177.300 0.219 0.000 1.220 129 P CA 0.161 63.349 63.100 0.147 0.000 0.768 129 P CB 1.339 33.068 31.700 0.048 0.000 0.848 130 V N 1.456 121.543 119.914 0.289 0.000 2.876 130 V HA 0.403 4.523 4.120 -0.000 0.000 0.312 130 V C 0.021 176.304 176.094 0.316 0.000 1.085 130 V CA -1.321 61.125 62.300 0.243 0.000 0.945 130 V CB 1.728 33.565 31.823 0.024 0.000 1.017 130 V HN 0.354 nan 8.190 nan 0.000 0.428 131 V N 4.471 124.468 119.914 0.138 0.000 2.694 131 V HA 0.252 4.371 4.120 -0.000 0.000 0.306 131 V C -1.885 174.251 176.094 0.071 0.000 1.054 131 V CA -0.537 61.685 62.300 -0.130 0.000 1.161 131 V CB 0.879 32.610 31.823 -0.154 0.000 0.916 131 V HN 1.041 nan 8.190 nan 0.000 0.490 132 P HA 0.167 nan 4.420 nan 0.000 0.262 132 P C -1.176 176.102 177.300 -0.037 0.000 1.182 132 P CA 0.572 63.635 63.100 -0.062 0.000 0.761 132 P CB 0.156 31.651 31.700 -0.341 0.000 0.795 133 W N 2.402 123.674 121.300 -0.047 0.000 2.988 133 W HA 0.716 5.376 4.660 -0.000 0.000 0.355 133 W C -2.435 174.218 176.519 0.223 0.000 1.233 133 W CA -0.792 56.630 57.345 0.128 0.000 1.176 133 W CB 0.766 30.266 29.460 0.067 0.000 1.477 133 W HN 0.124 nan 8.180 nan 0.000 0.582 134 V N 1.686 121.580 119.914 -0.032 0.000 3.087 134 V HA 0.834 4.954 4.120 -0.000 0.000 0.306 134 V C -0.565 175.598 176.094 0.114 0.000 1.187 134 V CA -0.669 61.510 62.300 -0.201 0.000 0.999 134 V CB 1.476 33.218 31.823 -0.134 0.000 1.049 134 V HN 1.035 nan 8.190 nan 0.000 0.431 135 A N 2.674 125.556 122.820 0.102 0.000 2.337 135 A HA 0.952 5.272 4.320 -0.000 0.000 0.329 135 A C -1.121 176.535 177.584 0.120 0.000 1.146 135 A CA -0.570 51.585 52.037 0.197 0.000 0.800 135 A CB 1.653 20.799 19.000 0.244 0.000 1.220 135 A HN 0.847 nan 8.150 nan 0.000 0.472 136 V N 2.515 122.527 119.914 0.164 0.000 2.733 136 V HA 0.483 4.602 4.120 -0.000 0.000 0.306 136 V C -0.187 176.046 176.094 0.232 0.000 1.084 136 V CA -0.677 61.730 62.300 0.179 0.000 0.905 136 V CB 1.887 33.833 31.823 0.205 0.000 1.010 136 V HN 1.013 nan 8.190 nan 0.000 0.424 137 R N 2.688 123.232 120.500 0.075 0.000 2.668 137 R HA 0.510 4.850 4.340 -0.000 0.000 0.279 137 R C -0.356 175.700 176.300 -0.407 0.000 0.976 137 R CA -1.110 54.897 56.100 -0.156 0.000 0.978 137 R CB 1.428 31.657 30.300 -0.118 0.000 1.133 137 R HN 0.711 nan 8.270 nan 0.000 0.484 138 K N 1.196 120.985 120.400 -1.018 0.000 2.491 138 K HA -0.037 4.283 4.320 -0.000 0.000 0.279 138 K C 0.639 177.054 176.600 -0.308 0.000 1.026 138 K CA 1.056 56.760 56.287 -0.971 0.000 1.070 138 K CB 0.041 32.035 32.500 -0.843 0.000 0.887 138 K HN 0.835 nan 8.250 nan 0.000 0.481 139 G N 1.948 110.687 108.800 -0.102 0.000 2.195 139 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.246 139 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.246 139 G C -0.280 174.615 174.900 -0.008 0.000 0.984 139 G CA 0.423 45.501 45.100 -0.036 0.000 0.633 139 G HN 0.932 nan 8.290 nan 0.000 0.525 140 E N 0.816 121.018 120.200 0.004 0.000 2.166 140 E HA 0.627 4.977 4.350 -0.000 0.000 0.275 140 E C -2.888 173.741 176.600 0.048 0.000 0.941 140 E CA -2.496 53.914 56.400 0.017 0.000 0.784 140 E CB 1.754 31.456 29.700 0.004 0.000 1.115 140 E HN 0.083 nan 8.360 nan 0.000 0.399 141 P HA 0.094 nan 4.420 nan 0.000 0.262 141 P C -2.376 174.940 177.300 0.027 0.000 1.199 141 P CA -0.588 62.530 63.100 0.029 0.000 0.763 141 P CB -0.117 31.589 31.700 0.010 0.000 0.790 142 P HA 0.117 nan 4.420 nan 0.000 0.271 142 P C -0.922 176.373 177.300 -0.009 0.000 1.216 142 P CA 0.132 63.241 63.100 0.016 0.000 0.771 142 P CB 0.599 32.317 31.700 0.030 0.000 0.864 143 V N 3.983 123.870 119.914 -0.044 0.000 2.385 143 V HA 0.158 4.278 4.120 -0.000 0.000 0.277 143 V C -0.218 175.801 176.094 -0.124 0.000 1.012 143 V CA -0.645 61.618 62.300 -0.060 0.000 0.832 143 V CB 1.702 33.493 31.823 -0.053 0.000 1.028 143 V HN 0.208 nan 8.190 nan 0.000 0.436 144 V N 7.105 126.936 119.914 -0.138 0.000 2.334 144 V HA 0.285 4.405 4.120 -0.000 0.000 0.267 144 V C -0.697 175.239 176.094 -0.263 0.000 1.040 144 V CA -1.125 60.942 62.300 -0.388 0.000 0.866 144 V CB 1.600 33.087 31.823 -0.561 0.000 1.019 144 V HN 0.690 nan 8.190 nan 0.000 0.468 145 P HA -0.010 nan 4.420 nan 0.000 0.239 145 P C -0.145 177.275 177.300 0.201 0.000 1.184 145 P CA 0.740 63.865 63.100 0.042 0.000 0.760 145 P CB -0.071 31.700 31.700 0.117 0.000 0.884 146 F N -1.675 118.340 119.950 0.107 0.000 2.664 146 F HA 0.669 5.196 4.527 -0.000 0.000 0.329 146 F C -0.311 175.643 175.800 0.258 0.000 1.090 146 F CA -1.835 56.250 58.000 0.142 0.000 0.978 146 F CB 0.437 39.492 39.000 0.093 0.000 1.378 146 F HN -0.376 nan 8.300 nan 0.000 0.495 147 D N 0.452 121.097 120.400 0.408 0.000 2.326 147 D HA 0.411 5.051 4.640 -0.000 0.000 0.248 147 D C -2.621 173.753 176.300 0.123 0.000 1.001 147 D CA -1.162 53.008 54.000 0.282 0.000 0.961 147 D CB 1.715 42.663 40.800 0.247 0.000 1.183 147 D HN 0.201 nan 8.370 nan 0.000 0.502 148 P HA 0.116 nan 4.420 nan 0.000 0.271 148 P C -2.316 174.830 177.300 -0.257 0.000 1.238 148 P CA -0.656 62.065 63.100 -0.632 0.000 0.794 148 P CB -0.250 30.974 31.700 -0.795 0.000 0.959 149 P HA 0.341 nan 4.420 nan 0.000 0.279 149 P C -1.140 175.946 177.300 -0.357 0.000 1.252 149 P CA -0.055 62.757 63.100 -0.480 0.000 0.811 149 P CB 0.614 32.092 31.700 -0.371 0.000 1.035 150 F N -2.017 117.740 119.950 -0.320 0.000 2.719 150 F HA 0.599 5.125 4.527 -0.000 0.000 0.309 150 F C -1.486 174.081 175.800 -0.389 0.000 1.138 150 F CA -1.426 56.429 58.000 -0.242 0.000 0.943 150 F CB 0.710 39.775 39.000 0.109 0.000 1.304 150 F HN 0.006 nan 8.300 nan 0.000 0.445 151 F N 1.323 121.479 119.950 0.344 0.000 2.399 151 F HA 0.726 5.252 4.527 -0.000 0.000 0.328 151 F C -0.108 175.802 175.800 0.184 0.000 1.084 151 F CA -1.088 57.035 58.000 0.204 0.000 1.053 151 F CB 1.904 40.965 39.000 0.101 0.000 1.209 151 F HN 0.291 nan 8.300 nan 0.000 0.502 152 V N 2.354 122.457 119.914 0.315 0.000 2.531 152 V HA 0.569 4.689 4.120 -0.000 0.000 0.301 152 V C -0.830 175.350 176.094 0.143 0.000 1.034 152 V CA -0.998 61.398 62.300 0.160 0.000 0.865 152 V CB 1.790 33.660 31.823 0.079 0.000 0.995 152 V HN 0.795 nan 8.190 nan 0.000 0.424 153 K N 4.479 124.945 120.400 0.111 0.000 2.562 153 K HA 0.616 4.936 4.320 -0.000 0.000 0.267 153 K C -3.317 173.345 176.600 0.103 0.000 0.938 153 K CA -1.887 54.458 56.287 0.096 0.000 0.840 153 K CB 2.602 35.148 32.500 0.077 0.000 1.390 153 K HN 0.308 nan 8.250 nan 0.000 0.428 154 P HA -0.063 nan 4.420 nan 0.000 0.268 154 P C 0.100 177.462 177.300 0.103 0.000 1.205 154 P CA 0.067 63.259 63.100 0.155 0.000 0.771 154 P CB 1.298 33.117 31.700 0.198 0.000 0.858 155 A N 4.533 127.420 122.820 0.112 0.000 1.855 155 A HA -0.193 4.126 4.320 -0.000 0.000 0.215 155 A C 1.477 179.080 177.584 0.032 0.000 1.191 155 A CA 1.943 54.023 52.037 0.071 0.000 0.613 155 A CB -1.376 17.677 19.000 0.089 0.000 0.829 155 A HN 0.699 nan 8.150 nan 0.000 0.442 156 N N -1.102 117.619 118.700 0.035 0.000 2.276 156 N HA 0.088 4.828 4.740 -0.000 0.000 0.212 156 N C -0.518 174.990 175.510 -0.004 0.000 1.127 156 N CA 0.392 53.447 53.050 0.009 0.000 0.834 156 N CB -0.233 38.261 38.487 0.011 0.000 1.014 156 N HN 0.072 nan 8.380 nan 0.000 0.491 157 T N 0.060 114.615 114.554 0.002 0.000 2.727 157 T HA 0.383 4.733 4.350 -0.000 0.000 0.298 157 T C 0.985 175.659 174.700 -0.043 0.000 0.942 157 T CA -0.671 61.416 62.100 -0.021 0.000 0.997 157 T CB 0.999 69.862 68.868 -0.008 0.000 0.917 157 T HN 0.416 nan 8.240 nan 0.000 0.487 158 G N 2.282 111.051 108.800 -0.052 0.000 3.414 158 G HA2 0.313 4.273 3.960 -0.000 0.000 0.258 158 G HA3 0.313 4.273 3.960 -0.000 0.000 0.258 158 G C 0.420 175.284 174.900 -0.061 0.000 1.348 158 G CA -0.286 44.784 45.100 -0.050 0.000 1.319 158 G HN 0.631 nan 8.290 nan 0.000 0.555 159 S N -1.421 114.231 115.700 -0.080 0.000 2.709 159 S HA 0.547 5.017 4.470 -0.000 0.000 0.302 159 S C 1.095 175.629 174.600 -0.110 0.000 1.127 159 S CA -0.398 57.741 58.200 -0.101 0.000 0.905 159 S CB 1.760 64.876 63.200 -0.140 0.000 1.151 159 S HN -0.004 nan 8.310 nan 0.000 0.510 160 S N 0.664 116.295 115.700 -0.116 0.000 2.575 160 S HA 0.182 4.651 4.470 -0.000 0.000 0.215 160 S C 0.399 174.918 174.600 -0.135 0.000 0.966 160 S CA -0.198 57.939 58.200 -0.105 0.000 0.911 160 S CB 0.189 63.339 63.200 -0.082 0.000 0.780 160 S HN 0.538 nan 8.310 nan 0.000 0.514 161 V N 1.701 121.476 119.914 -0.231 0.000 2.775 161 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 161 V C 1.232 177.126 176.094 -0.333 0.000 1.062 161 V CA 0.989 63.062 62.300 -0.378 0.000 1.063 161 V CB 0.609 31.988 31.823 -0.739 0.000 0.994 161 V HN 0.580 nan 8.190 nan 0.000 0.483 162 G N 5.030 113.750 108.800 -0.134 0.000 2.155 162 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 162 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 162 G C 0.054 175.023 174.900 0.114 0.000 0.983 162 G CA 0.532 45.751 45.100 0.198 0.000 0.676 162 G HN 0.754 nan 8.290 nan 0.000 0.528 163 I N 0.986 121.587 120.570 0.052 0.000 2.440 163 I HA 0.542 4.711 4.170 -0.000 0.000 0.294 163 I C 0.316 176.498 176.117 0.109 0.000 0.995 163 I CA -0.348 61.000 61.300 0.080 0.000 1.306 163 I CB 1.749 39.775 38.000 0.043 0.000 1.407 163 I HN 0.095 nan 8.210 nan 0.000 0.501 164 S N 4.831 120.626 115.700 0.159 0.000 2.546 164 S HA 0.466 4.935 4.470 -0.000 0.000 0.274 164 S C -0.683 174.022 174.600 0.175 0.000 1.121 164 S CA -0.825 57.455 58.200 0.134 0.000 0.887 164 S CB 2.298 65.539 63.200 0.067 0.000 1.094 164 S HN 0.557 nan 8.310 nan 0.000 0.474 165 R N 2.280 122.814 120.500 0.055 0.000 2.239 165 R HA 0.516 4.856 4.340 -0.000 0.000 0.332 165 R C -1.343 174.814 176.300 -0.238 0.000 0.988 165 R CA -0.297 55.676 56.100 -0.212 0.000 0.859 165 R CB 0.305 30.482 30.300 -0.205 0.000 1.148 165 R HN 0.483 nan 8.270 nan 0.000 0.482 166 V N 5.096 124.831 119.914 -0.297 0.000 2.498 166 V HA 0.114 4.234 4.120 -0.000 0.000 0.279 166 V C 0.726 176.481 176.094 -0.565 0.000 1.048 166 V CA -0.127 61.951 62.300 -0.370 0.000 0.967 166 V CB 1.575 33.200 31.823 -0.330 0.000 0.988 166 V HN 0.838 nan 8.190 nan 0.000 0.473 167 E N 3.439 123.405 120.200 -0.391 0.000 2.330 167 E HA 0.172 4.521 4.350 -0.000 0.000 0.200 167 E C 0.436 176.852 176.600 -0.307 0.000 0.922 167 E CA 0.206 56.399 56.400 -0.345 0.000 0.935 167 E CB 0.639 30.211 29.700 -0.214 0.000 0.917 167 E HN 0.558 nan 8.360 nan 0.000 0.491 168 R N 0.439 120.797 120.500 -0.237 0.000 2.387 168 R HA 0.274 4.614 4.340 -0.000 0.000 0.314 168 R C 0.257 176.501 176.300 -0.093 0.000 0.958 168 R CA -0.476 55.548 56.100 -0.127 0.000 0.846 168 R CB 0.908 31.173 30.300 -0.058 0.000 1.147 168 R HN -0.072 nan 8.270 nan 0.000 0.447 169 F N 2.486 122.373 119.950 -0.106 0.000 2.529 169 F HA -0.156 4.370 4.527 -0.000 0.000 0.297 169 F C 2.107 177.906 175.800 -0.002 0.000 1.114 169 F CA 1.481 59.465 58.000 -0.026 0.000 1.467 169 F CB 0.097 39.094 39.000 -0.005 0.000 1.096 169 F HN 0.552 nan 8.300 nan 0.000 0.586 170 Q N -1.996 117.903 119.800 0.166 0.000 2.356 170 Q HA 0.023 4.363 4.340 -0.000 0.000 0.205 170 Q C 0.527 176.563 176.000 0.060 0.000 0.901 170 Q CA 0.869 56.734 55.803 0.103 0.000 0.938 170 Q CB -0.161 28.611 28.738 0.057 0.000 1.081 170 Q HN 0.210 nan 8.270 nan 0.000 0.517 171 D N 0.461 120.880 120.400 0.032 0.000 2.360 171 D HA 0.014 4.654 4.640 -0.000 0.000 0.210 171 D C 1.349 177.663 176.300 0.024 0.000 1.047 171 D CA -0.081 53.922 54.000 0.006 0.000 0.854 171 D CB 0.384 41.162 40.800 -0.036 0.000 0.936 171 D HN 0.112 nan 8.370 nan 0.000 0.514 172 L N 1.448 122.714 121.223 0.071 0.000 1.971 172 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 172 L C 1.696 178.584 176.870 0.031 0.000 1.072 172 L CA 1.981 56.879 54.840 0.097 0.000 0.758 172 L CB -0.592 41.572 42.059 0.175 0.000 0.889 172 L HN 0.011 nan 8.230 nan 0.000 0.433 173 E N -0.515 119.708 120.200 0.039 0.000 2.114 173 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 173 E C 2.104 178.690 176.600 -0.024 0.000 1.008 173 E CA 1.413 57.819 56.400 0.012 0.000 0.810 173 E CB -0.392 29.327 29.700 0.032 0.000 0.739 173 E HN 0.703 nan 8.360 nan 0.000 0.456 174 A N 1.353 124.166 122.820 -0.012 0.000 1.873 174 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 174 A C 2.412 179.967 177.584 -0.047 0.000 1.186 174 A CA 1.689 53.713 52.037 -0.022 0.000 0.616 174 A CB -0.698 18.297 19.000 -0.009 0.000 0.823 174 A HN 0.305 nan 8.150 nan 0.000 0.442 175 A N -0.284 122.510 122.820 -0.043 0.000 1.902 175 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 175 A C 2.178 179.672 177.584 -0.151 0.000 1.181 175 A CA 1.525 53.532 52.037 -0.050 0.000 0.623 175 A CB -0.629 18.371 19.000 0.000 0.000 0.818 175 A HN 0.476 nan 8.150 nan 0.000 0.443 176 L N -0.831 120.240 121.223 -0.254 0.000 2.046 176 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 176 L C 3.123 179.545 176.870 -0.747 0.000 1.077 176 L CA 1.009 55.462 54.840 -0.645 0.000 0.747 176 L CB -0.610 41.067 42.059 -0.636 0.000 0.896 176 L HN 0.447 nan 8.230 nan 0.000 0.432 177 A N 0.116 122.750 122.820 -0.311 0.000 1.917 177 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 177 A C 2.208 179.737 177.584 -0.092 0.000 1.182 177 A CA 2.002 53.972 52.037 -0.112 0.000 0.633 177 A CB -0.734 18.247 19.000 -0.031 0.000 0.819 177 A HN 0.332 nan 8.150 nan 0.000 0.448 178 L N -0.249 120.919 121.223 -0.091 0.000 1.976 178 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 178 L C 2.728 179.594 176.870 -0.007 0.000 1.071 178 L CA 2.443 57.267 54.840 -0.026 0.000 0.746 178 L CB -1.120 40.958 42.059 0.032 0.000 0.890 178 L HN 0.354 nan 8.230 nan 0.000 0.432 179 A N -0.613 122.192 122.820 -0.025 0.000 1.927 179 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 179 A C 2.284 179.961 177.584 0.156 0.000 1.185 179 A CA 2.187 54.270 52.037 0.076 0.000 0.639 179 A CB -1.461 17.509 19.000 -0.050 0.000 0.820 179 A HN 0.582 nan 8.150 nan 0.000 0.451 180 F N -0.578 119.372 119.950 0.001 0.000 2.583 180 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 180 F C 2.387 178.107 175.800 -0.134 0.000 1.131 180 F CA 0.155 58.132 58.000 -0.038 0.000 1.467 180 F CB -0.036 38.947 39.000 -0.029 0.000 1.097 180 F HN 0.202 nan 8.300 nan 0.000 0.586 181 R N -0.744 119.677 120.500 -0.131 0.000 2.276 181 R HA -0.069 4.271 4.340 -0.000 0.000 0.203 181 R C 0.400 176.298 176.300 -0.669 0.000 1.017 181 R CA 0.881 56.689 56.100 -0.486 0.000 1.010 181 R CB -0.151 29.659 30.300 -0.818 0.000 0.900 181 R HN 0.385 nan 8.270 nan 0.000 0.469 182 Y N -1.013 119.335 120.300 0.080 0.000 2.527 182 Y HA 0.302 4.852 4.550 -0.000 0.000 0.247 182 Y C -0.307 175.622 175.900 0.048 0.000 1.138 182 Y CA -1.030 57.096 58.100 0.045 0.000 1.228 182 Y CB 0.908 39.384 38.460 0.028 0.000 1.252 182 Y HN -0.142 nan 8.280 nan 0.000 0.531 183 D N -0.321 120.182 120.400 0.171 0.000 2.625 183 D HA 0.051 4.690 4.640 -0.000 0.000 0.203 183 D C -0.213 176.159 176.300 0.120 0.000 1.230 183 D CA -0.222 53.855 54.000 0.129 0.000 0.784 183 D CB 0.940 41.826 40.800 0.143 0.000 1.936 183 D HN 0.156 nan 8.370 nan 0.000 0.522 184 E N 1.435 121.633 120.200 -0.003 0.000 2.510 184 E HA -0.085 4.265 4.350 -0.000 0.000 0.202 184 E C 0.266 176.747 176.600 -0.198 0.000 1.072 184 E CA 0.659 56.958 56.400 -0.169 0.000 0.883 184 E CB 0.351 29.958 29.700 -0.155 0.000 0.818 184 E HN 0.157 nan 8.360 nan 0.000 0.548 185 K N 0.311 120.730 120.400 0.032 0.000 2.427 185 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 185 K C -1.616 175.145 176.600 0.269 0.000 0.931 185 K CA -0.543 55.817 56.287 0.121 0.000 0.793 185 K CB 1.826 34.372 32.500 0.077 0.000 1.211 185 K HN -0.048 nan 8.250 nan 0.000 0.426 186 A N 2.229 125.267 122.820 0.363 0.000 2.527 186 A HA 0.746 5.066 4.320 -0.000 0.000 0.293 186 A C -1.149 176.562 177.584 0.211 0.000 1.117 186 A CA -0.691 51.509 52.037 0.272 0.000 0.723 186 A CB 1.519 20.656 19.000 0.227 0.000 1.313 186 A HN 0.566 nan 8.150 nan 0.000 0.411 187 V N -1.495 118.522 119.914 0.172 0.000 2.769 187 V HA 0.874 4.994 4.120 -0.000 0.000 0.312 187 V C -0.757 175.440 176.094 0.171 0.000 1.061 187 V CA -0.782 61.647 62.300 0.215 0.000 0.931 187 V CB 1.411 33.375 31.823 0.235 0.000 1.010 187 V HN 0.775 nan 8.190 nan 0.000 0.433 188 V N 3.114 123.133 119.914 0.176 0.000 2.378 188 V HA 0.552 4.672 4.120 -0.000 0.000 0.288 188 V C -0.246 176.037 176.094 0.315 0.000 1.016 188 V CA -0.316 62.027 62.300 0.072 0.000 0.840 188 V CB 1.022 32.673 31.823 -0.287 0.000 0.994 188 V HN 1.044 nan 8.190 nan 0.000 0.431 189 E N 3.386 123.786 120.200 0.333 0.000 2.176 189 E HA 0.363 4.713 4.350 -0.000 0.000 0.267 189 E C -0.587 176.166 176.600 0.255 0.000 0.893 189 E CA -0.916 55.665 56.400 0.301 0.000 0.761 189 E CB 2.531 32.383 29.700 0.254 0.000 1.133 189 E HN 0.576 nan 8.360 nan 0.000 0.409 190 K N 1.833 122.138 120.400 -0.158 0.000 2.527 190 K HA 0.070 4.390 4.320 -0.000 0.000 0.278 190 K C -0.641 175.952 176.600 -0.012 0.000 0.981 190 K CA 0.015 56.189 56.287 -0.188 0.000 1.009 190 K CB 0.436 32.565 32.500 -0.619 0.000 0.895 190 K HN 0.567 nan 8.250 nan 0.000 0.493 191 A N 5.586 128.408 122.820 0.004 0.000 2.289 191 A HA 0.402 4.721 4.320 -0.000 0.000 0.298 191 A C -0.530 177.002 177.584 -0.087 0.000 1.208 191 A CA -0.740 51.279 52.037 -0.031 0.000 0.845 191 A CB 0.274 19.122 19.000 -0.252 0.000 1.125 191 A HN 0.708 nan 8.150 nan 0.000 0.517 192 L N 1.990 123.140 121.223 -0.123 0.000 2.309 192 L HA 0.736 5.076 4.340 -0.000 0.000 0.282 192 L C 0.359 177.174 176.870 -0.092 0.000 1.036 192 L CA -0.336 54.423 54.840 -0.135 0.000 0.806 192 L CB 1.820 43.757 42.059 -0.204 0.000 1.220 192 L HN 0.683 nan 8.230 nan 0.000 0.429 193 S N 2.160 117.832 115.700 -0.047 0.000 2.582 193 S HA 0.532 5.002 4.470 -0.000 0.000 0.287 193 S C -2.611 171.987 174.600 -0.004 0.000 1.146 193 S CA -0.915 57.270 58.200 -0.025 0.000 0.941 193 S CB 1.218 64.399 63.200 -0.032 0.000 1.115 193 S HN 0.477 nan 8.310 nan 0.000 0.458 194 P HA 0.506 nan 4.420 nan 0.000 0.272 194 P C -1.356 175.961 177.300 0.028 0.000 1.223 194 P CA -0.574 62.537 63.100 0.019 0.000 0.784 194 P CB 0.775 32.491 31.700 0.027 0.000 0.923 195 V N 1.989 121.923 119.914 0.034 0.000 2.808 195 V HA 0.478 4.598 4.120 -0.000 0.000 0.308 195 V C -0.972 175.192 176.094 0.116 0.000 1.099 195 V CA -0.792 61.543 62.300 0.058 0.000 0.920 195 V CB 2.026 33.818 31.823 -0.053 0.000 1.014 195 V HN 0.491 nan 8.190 nan 0.000 0.425 196 R N 3.867 124.467 120.500 0.166 0.000 2.604 196 R HA 0.635 4.974 4.340 -0.000 0.000 0.287 196 R C -0.935 175.522 176.300 0.262 0.000 0.970 196 R CA -0.647 55.557 56.100 0.173 0.000 0.946 196 R CB 1.931 32.303 30.300 0.119 0.000 1.127 196 R HN 0.713 nan 8.270 nan 0.000 0.473 197 E N 2.960 123.295 120.200 0.224 0.000 2.133 197 E HA 0.315 4.665 4.350 -0.000 0.000 0.274 197 E C -0.780 175.892 176.600 0.120 0.000 0.930 197 E CA -0.397 56.135 56.400 0.220 0.000 0.770 197 E CB 1.549 31.379 29.700 0.217 0.000 1.104 197 E HN 0.218 nan 8.360 nan 0.000 0.403 198 L N 2.331 123.625 121.223 0.118 0.000 2.333 198 L HA 0.544 4.884 4.340 -0.000 0.000 0.269 198 L C -0.148 176.789 176.870 0.112 0.000 1.010 198 L CA -0.741 54.147 54.840 0.081 0.000 0.818 198 L CB 1.722 43.810 42.059 0.049 0.000 1.306 198 L HN 0.464 nan 8.230 nan 0.000 0.430 199 E N 1.191 121.432 120.200 0.068 0.000 2.308 199 E HA 0.607 4.957 4.350 -0.000 0.000 0.275 199 E C -1.635 174.994 176.600 0.049 0.000 0.890 199 E CA -0.582 55.868 56.400 0.083 0.000 0.754 199 E CB 3.596 33.315 29.700 0.032 0.000 1.207 199 E HN 0.222 nan 8.360 nan 0.000 0.426 200 V N 1.464 121.433 119.914 0.092 0.000 2.841 200 V HA 0.782 4.902 4.120 -0.000 0.000 0.310 200 V C -0.485 175.641 176.094 0.055 0.000 1.090 200 V CA -0.326 61.982 62.300 0.012 0.000 0.930 200 V CB 1.986 33.814 31.823 0.007 0.000 1.014 200 V HN 0.735 nan 8.190 nan 0.000 0.425 201 G N 4.016 112.777 108.800 -0.066 0.000 2.412 201 G HA2 0.624 4.584 3.960 -0.000 0.000 0.318 201 G HA3 0.624 4.584 3.960 -0.000 0.000 0.318 201 G C -1.210 173.826 174.900 0.226 0.000 1.146 201 G CA -0.457 44.744 45.100 0.169 0.000 0.882 201 G HN 0.878 nan 8.290 nan 0.000 0.501 202 V N 1.421 121.626 119.914 0.486 0.000 2.823 202 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 202 V C -0.820 175.431 176.094 0.262 0.000 1.072 202 V CA -0.782 61.627 62.300 0.181 0.000 0.937 202 V CB 1.810 33.361 31.823 -0.453 0.000 1.013 202 V HN 0.708 nan 8.190 nan 0.000 0.430 203 L N 3.036 124.309 121.223 0.083 0.000 2.464 203 L HA 1.024 5.363 4.340 -0.000 0.000 0.266 203 L C -0.180 176.688 176.870 -0.004 0.000 0.965 203 L CA 0.888 55.718 54.840 -0.016 0.000 0.833 203 L CB 1.711 43.571 42.059 -0.332 0.000 1.296 203 L HN 1.133 nan 8.230 nan 0.000 0.405 204 G N 2.715 111.560 108.800 0.076 0.000 2.357 204 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.643 204 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.643 204 G C -1.741 173.296 174.900 0.228 0.000 1.358 204 G CA -1.029 44.141 45.100 0.116 0.000 0.986 204 G HN 0.662 nan 8.290 nan 0.000 0.620 205 N N 0.699 119.507 118.700 0.180 0.000 2.426 205 N HA 0.498 5.238 4.740 -0.000 0.000 0.257 205 N C 1.550 177.169 175.510 0.181 0.000 1.002 205 N CA 0.542 53.683 53.050 0.151 0.000 0.942 205 N CB 1.561 40.092 38.487 0.072 0.000 1.112 205 N HN 1.241 nan 8.380 nan 0.000 0.499 206 V N 1.225 121.207 119.914 0.114 0.000 0.524 206 V HA -0.368 3.752 4.120 -0.000 0.000 0.092 206 V C 0.141 176.179 176.094 -0.093 0.000 2.204 206 V CA 1.646 63.894 62.300 -0.086 0.000 3.556 206 V CB -1.339 30.345 31.823 -0.231 0.000 0.846 206 V HN 0.589 nan 8.190 nan 0.000 0.884 207 F N 1.859 121.912 119.950 0.173 0.000 2.313 207 F HA 0.701 5.228 4.527 -0.000 0.000 0.369 207 F C 0.858 176.716 175.800 0.098 0.000 1.109 207 F CA 0.464 58.540 58.000 0.127 0.000 1.132 207 F CB 1.066 40.109 39.000 0.072 0.000 1.291 207 F HN 0.277 nan 8.300 nan 0.000 0.496 208 G N 2.180 111.069 108.800 0.149 0.000 2.705 208 G HA2 0.638 4.598 3.960 -0.000 0.000 0.299 208 G HA3 0.638 4.598 3.960 -0.000 0.000 0.299 208 G C -1.226 173.677 174.900 0.004 0.000 1.315 208 G CA -0.768 44.328 45.100 -0.008 0.000 1.045 208 G HN 0.550 nan 8.290 nan 0.000 0.517 209 E N -1.030 119.179 120.200 0.014 0.000 2.199 209 E HA 0.650 5.000 4.350 -0.000 0.000 0.269 209 E C -0.406 176.249 176.600 0.092 0.000 0.899 209 E CA -0.981 55.455 56.400 0.060 0.000 0.772 209 E CB 2.012 31.768 29.700 0.092 0.000 1.155 209 E HN 0.552 nan 8.360 nan 0.000 0.408 210 A N 2.383 125.221 122.820 0.029 0.000 2.316 210 A HA 0.492 4.812 4.320 -0.000 0.000 0.284 210 A C 0.318 177.826 177.584 -0.126 0.000 1.115 210 A CA -0.348 51.670 52.037 -0.032 0.000 0.812 210 A CB 0.819 19.784 19.000 -0.058 0.000 1.064 210 A HN 0.793 nan 8.150 nan 0.000 0.489 211 S N 1.613 117.062 115.700 -0.417 0.000 2.694 211 S HA 0.705 5.175 4.470 -0.000 0.000 0.278 211 S C -2.746 171.633 174.600 -0.368 0.000 1.152 211 S CA -1.298 56.502 58.200 -0.667 0.000 1.010 211 S CB 0.325 62.610 63.200 -1.524 0.000 1.104 211 S HN 0.446 nan 8.310 nan 0.000 0.547 212 P HA 0.265 nan 4.420 nan 0.000 0.272 212 P C -0.957 176.224 177.300 -0.197 0.000 1.240 212 P CA -0.507 62.473 63.100 -0.200 0.000 0.791 212 P CB 0.341 31.945 31.700 -0.161 0.000 0.978 213 V N 1.372 121.198 119.914 -0.146 0.000 2.649 213 V HA 0.544 4.663 4.120 -0.000 0.000 0.292 213 V C 0.975 177.007 176.094 -0.103 0.000 1.055 213 V CA 0.306 62.531 62.300 -0.125 0.000 1.023 213 V CB 0.762 32.512 31.823 -0.122 0.000 0.992 213 V HN 0.740 nan 8.190 nan 0.000 0.480 214 G N 2.914 111.664 108.800 -0.084 0.000 2.537 214 G HA2 0.697 4.657 3.960 -0.000 0.000 0.308 214 G HA3 0.697 4.657 3.960 -0.000 0.000 0.308 214 G C -1.267 173.607 174.900 -0.043 0.000 1.237 214 G CA -0.461 44.598 45.100 -0.068 0.000 0.968 214 G HN 0.694 nan 8.290 nan 0.000 0.481 215 E N -0.236 119.939 120.200 -0.042 0.000 2.272 215 E HA 0.509 4.859 4.350 -0.000 0.000 0.269 215 E C -1.354 175.219 176.600 -0.045 0.000 0.877 215 E CA -0.662 55.723 56.400 -0.025 0.000 0.755 215 E CB 2.430 32.120 29.700 -0.017 0.000 1.192 215 E HN 0.234 nan 8.360 nan 0.000 0.422 216 V N 4.602 124.492 119.914 -0.040 0.000 2.370 216 V HA 0.496 4.616 4.120 -0.000 0.000 0.279 216 V C -0.165 175.862 176.094 -0.111 0.000 1.029 216 V CA -0.441 61.790 62.300 -0.115 0.000 0.870 216 V CB 1.175 32.925 31.823 -0.122 0.000 0.984 216 V HN 0.638 nan 8.190 nan 0.000 0.451 217 R N 3.281 123.672 120.500 -0.182 0.000 2.532 217 R HA 0.534 4.873 4.340 -0.000 0.000 0.297 217 R C -1.584 174.613 176.300 -0.172 0.000 0.984 217 R CA -0.553 55.491 56.100 -0.092 0.000 0.884 217 R CB 1.834 32.117 30.300 -0.028 0.000 1.182 217 R HN 0.632 nan 8.270 nan 0.000 0.442 218 Y N 1.312 121.622 120.300 0.018 0.000 2.310 218 Y HA 0.216 4.766 4.550 -0.000 0.000 0.326 218 Y C 0.802 176.705 175.900 0.005 0.000 1.151 218 Y CA -0.245 57.864 58.100 0.016 0.000 1.195 218 Y CB 1.053 39.531 38.460 0.029 0.000 1.210 218 Y HN 0.389 nan 8.280 nan 0.000 0.483 219 E N 1.211 121.493 120.200 0.136 0.000 2.312 219 E HA 0.542 4.892 4.350 -0.000 0.000 0.259 219 E C -0.433 176.210 176.600 0.072 0.000 1.122 219 E CA -0.937 55.492 56.400 0.049 0.000 0.922 219 E CB 0.761 30.435 29.700 -0.042 0.000 1.109 219 E HN 0.726 nan 8.360 nan 0.000 0.442 220 A N 2.426 125.262 122.820 0.026 0.000 2.520 220 A HA 0.153 4.473 4.320 -0.000 0.000 0.235 220 A C -1.949 175.696 177.584 0.101 0.000 1.065 220 A CA -0.868 51.198 52.037 0.049 0.000 0.764 220 A CB -0.514 18.501 19.000 0.024 0.000 1.002 220 A HN 0.346 nan 8.150 nan 0.000 0.502 221 P HA 0.456 nan 4.420 nan 0.000 0.275 221 P C -0.948 176.560 177.300 0.346 0.000 1.228 221 P CA 0.235 63.482 63.100 0.245 0.000 0.786 221 P CB 0.635 32.411 31.700 0.127 0.000 0.927 231 P HA 0.222 nan 4.420 nan 0.000 0.264 231 P C 0.808 178.296 177.300 0.314 0.000 1.179 231 P CA 0.302 63.489 63.100 0.147 0.000 0.763 231 P CB 0.463 32.201 31.700 0.063 0.000 0.806 232 G N 2.527 111.521 108.800 0.323 0.000 2.634 232 G HA2 0.120 4.079 3.960 -0.000 0.000 0.255 232 G HA3 0.120 4.079 3.960 -0.000 0.000 0.255 232 G C -0.233 174.814 174.900 0.246 0.000 1.205 232 G CA -0.603 44.668 45.100 0.285 0.000 0.884 232 G HN 0.560 nan 8.290 nan 0.000 0.549 233 R N -0.157 120.410 120.500 0.112 0.000 2.697 233 R HA 0.224 4.563 4.340 -0.000 0.000 0.265 233 R C 0.177 176.490 176.300 0.022 0.000 1.009 233 R CA 0.297 56.439 56.100 0.070 0.000 1.099 233 R CB 0.112 30.404 30.300 -0.013 0.000 0.965 233 R HN 0.450 nan 8.270 nan 0.000 0.428 234 A N 5.041 127.826 122.820 -0.059 0.000 2.391 234 A HA 0.178 4.498 4.320 -0.000 0.000 0.316 234 A C -0.417 177.013 177.584 -0.256 0.000 1.381 234 A CA -0.492 51.336 52.037 -0.349 0.000 0.998 234 A CB 0.162 18.948 19.000 -0.356 0.000 1.147 234 A HN 0.830 nan 8.150 nan 0.000 0.545 235 E N 1.081 121.137 120.200 -0.240 0.000 2.373 235 E HA 0.293 4.642 4.350 -0.000 0.000 0.267 235 E C -1.153 175.352 176.600 -0.158 0.000 1.032 235 E CA -0.144 56.163 56.400 -0.154 0.000 0.889 235 E CB 0.858 30.491 29.700 -0.111 0.000 0.984 235 E HN 0.465 nan 8.360 nan 0.000 0.425 236 L N 4.173 125.330 121.223 -0.111 0.000 2.318 236 L HA 0.275 4.614 4.340 -0.000 0.000 0.277 236 L C -0.819 176.007 176.870 -0.073 0.000 1.008 236 L CA 0.001 54.784 54.840 -0.094 0.000 0.846 236 L CB 0.927 42.937 42.059 -0.082 0.000 1.220 236 L HN 0.368 nan 8.230 nan 0.000 0.423 237 L N 5.325 126.508 121.223 -0.067 0.000 2.265 237 L HA 0.558 4.898 4.340 -0.000 0.000 0.288 237 L C -0.250 176.585 176.870 -0.057 0.000 1.058 237 L CA -0.168 54.639 54.840 -0.056 0.000 0.809 237 L CB 1.132 43.163 42.059 -0.047 0.000 1.179 237 L HN 0.533 nan 8.230 nan 0.000 0.429 238 I N 5.768 126.304 120.570 -0.058 0.000 2.548 238 I HA 0.462 4.632 4.170 -0.000 0.000 0.287 238 I C -2.141 173.941 176.117 -0.060 0.000 1.103 238 I CA -1.502 59.759 61.300 -0.065 0.000 1.049 238 I CB 2.507 40.463 38.000 -0.073 0.000 1.232 238 I HN 0.493 nan 8.210 nan 0.000 0.429 239 P HA 0.347 nan 4.420 nan 0.000 0.274 239 P C -0.491 176.773 177.300 -0.060 0.000 1.246 239 P CA -0.441 62.617 63.100 -0.069 0.000 0.795 239 P CB 0.977 32.636 31.700 -0.069 0.000 1.006 240 A N 2.721 125.504 122.820 -0.062 0.000 2.462 240 A HA 0.303 4.623 4.320 -0.000 0.000 0.243 240 A C -1.754 175.803 177.584 -0.045 0.000 1.076 240 A CA -1.069 50.938 52.037 -0.050 0.000 0.773 240 A CB -0.918 18.052 19.000 -0.050 0.000 1.010 240 A HN 0.471 nan 8.150 nan 0.000 0.493 241 P HA 0.206 nan 4.420 nan 0.000 0.249 241 P C -1.070 176.213 177.300 -0.029 0.000 1.737 241 P CA 0.315 63.397 63.100 -0.030 0.000 1.128 241 P CB -0.134 31.552 31.700 -0.023 0.000 1.942 242 L N 2.935 124.135 121.223 -0.038 0.000 2.354 242 L HA 0.381 4.721 4.340 -0.000 0.000 0.264 242 L C 0.677 177.523 176.870 -0.040 0.000 1.008 242 L CA -0.718 54.098 54.840 -0.040 0.000 0.819 242 L CB 2.187 44.213 42.059 -0.055 0.000 1.339 242 L HN 0.284 nan 8.230 nan 0.000 0.420 243 D N 2.048 122.426 120.400 -0.037 0.000 2.362 243 D HA 0.084 4.723 4.640 -0.000 0.000 0.242 243 D C -1.906 174.368 176.300 -0.043 0.000 1.132 243 D CA -1.188 52.791 54.000 -0.035 0.000 0.907 243 D CB 1.135 41.917 40.800 -0.030 0.000 1.195 243 D HN 0.294 nan 8.370 nan 0.000 0.429 244 P HA -0.216 nan 4.420 nan 0.000 0.217 244 P C 1.502 178.773 177.300 -0.049 0.000 1.151 244 P CA 1.778 64.852 63.100 -0.043 0.000 0.849 244 P CB -0.143 31.536 31.700 -0.035 0.000 0.787 245 G N 0.121 108.894 108.800 -0.044 0.000 2.418 245 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 245 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 245 G C 1.697 176.559 174.900 -0.064 0.000 1.158 245 G CA 2.009 47.081 45.100 -0.047 0.000 0.771 245 G HN 0.426 nan 8.290 nan 0.000 0.545 246 T N -1.344 113.168 114.554 -0.070 0.000 2.812 246 T HA -0.110 4.240 4.350 -0.000 0.000 0.264 246 T C 2.227 176.852 174.700 -0.125 0.000 1.042 246 T CA 1.590 63.633 62.100 -0.094 0.000 1.140 246 T CB -0.369 68.450 68.868 -0.082 0.000 0.870 246 T HN 0.413 nan 8.240 nan 0.000 0.445 247 Q N 1.275 121.010 119.800 -0.107 0.000 2.061 247 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 247 Q C 2.296 178.218 176.000 -0.129 0.000 0.984 247 Q CA 1.953 57.683 55.803 -0.121 0.000 0.846 247 Q CB -0.250 28.432 28.738 -0.093 0.000 0.902 247 Q HN 0.719 nan 8.270 nan 0.000 0.421 248 E N -0.523 119.617 120.200 -0.099 0.000 2.110 248 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 248 E C 2.012 178.551 176.600 -0.100 0.000 0.988 248 E CA 1.655 58.003 56.400 -0.086 0.000 0.804 248 E CB 0.022 29.686 29.700 -0.060 0.000 0.745 248 E HN 0.444 nan 8.360 nan 0.000 0.458 249 T N 0.734 115.218 114.554 -0.116 0.000 2.746 249 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 249 T C 2.100 176.674 174.700 -0.210 0.000 1.039 249 T CA 0.918 62.941 62.100 -0.127 0.000 1.142 249 T CB -0.189 68.606 68.868 -0.123 0.000 0.866 249 T HN -0.022 nan 8.240 nan 0.000 0.444 250 V N 1.551 121.273 119.914 -0.321 0.000 2.287 250 V HA -0.248 3.871 4.120 -0.000 0.000 0.248 250 V C 2.650 178.525 176.094 -0.364 0.000 1.053 250 V CA 1.757 63.698 62.300 -0.599 0.000 1.027 250 V CB -0.687 30.790 31.823 -0.575 0.000 0.646 250 V HN 0.503 nan 8.190 nan 0.000 0.447 251 Q N -0.051 119.631 119.800 -0.198 0.000 2.050 251 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 251 Q C 2.337 178.316 176.000 -0.035 0.000 0.980 251 Q CA 2.094 57.841 55.803 -0.094 0.000 0.840 251 Q CB -0.243 28.444 28.738 -0.084 0.000 0.898 251 Q HN 0.902 nan 8.270 nan 0.000 0.424 252 E N 0.643 120.820 120.200 -0.039 0.000 2.077 252 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 252 E C 1.979 178.605 176.600 0.043 0.000 0.989 252 E CA 1.038 57.440 56.400 0.004 0.000 0.800 252 E CB -0.436 29.261 29.700 -0.005 0.000 0.746 252 E HN 0.303 nan 8.360 nan 0.000 0.452 253 L N 0.853 122.102 121.223 0.044 0.000 2.056 253 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 253 L C 2.811 179.827 176.870 0.244 0.000 1.078 253 L CA 1.042 55.968 54.840 0.143 0.000 0.749 253 L CB -0.522 41.652 42.059 0.192 0.000 0.901 253 L HN 0.296 nan 8.230 nan 0.000 0.433 254 A N -0.221 122.775 122.820 0.293 0.000 1.877 254 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 254 A C 2.126 179.819 177.584 0.181 0.000 1.186 254 A CA 1.466 53.690 52.037 0.311 0.000 0.620 254 A CB -0.600 18.571 19.000 0.285 0.000 0.822 254 A HN 0.262 nan 8.150 nan 0.000 0.443 255 L N -0.179 121.110 121.223 0.111 0.000 2.141 255 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 255 L C 2.360 179.304 176.870 0.124 0.000 1.094 255 L CA 2.142 57.034 54.840 0.086 0.000 0.763 255 L CB -0.625 41.465 42.059 0.052 0.000 0.908 255 L HN 0.497 nan 8.230 nan 0.000 0.437 256 K N -0.816 119.649 120.400 0.108 0.000 2.025 256 K HA -0.132 4.187 4.320 -0.000 0.000 0.207 256 K C 2.060 178.708 176.600 0.080 0.000 1.049 256 K CA 1.209 57.547 56.287 0.085 0.000 0.933 256 K CB -0.040 32.507 32.500 0.077 0.000 0.714 256 K HN 0.266 nan 8.250 nan 0.000 0.438 257 A N 0.454 123.334 122.820 0.100 0.000 1.877 257 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 257 A C 2.061 179.688 177.584 0.072 0.000 1.186 257 A CA 1.472 53.548 52.037 0.066 0.000 0.620 257 A CB -1.004 18.028 19.000 0.053 0.000 0.822 257 A HN 0.541 nan 8.150 nan 0.000 0.443 258 Y N 0.616 120.906 120.300 -0.016 0.000 2.081 258 Y HA -0.290 4.260 4.550 -0.000 0.000 0.280 258 Y C 2.511 178.361 175.900 -0.084 0.000 1.163 258 Y CA 2.583 60.665 58.100 -0.031 0.000 1.135 258 Y CB -0.165 38.297 38.460 0.003 0.000 0.970 258 Y HN 0.356 nan 8.280 nan 0.000 0.498 259 K N -0.510 119.935 120.400 0.075 0.000 2.002 259 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 259 K C 1.942 178.455 176.600 -0.146 0.000 1.048 259 K CA 1.977 58.188 56.287 -0.128 0.000 0.930 259 K CB -0.541 31.862 32.500 -0.161 0.000 0.714 259 K HN 0.245 nan 8.250 nan 0.000 0.438 260 V N 1.833 121.703 119.914 -0.074 0.000 2.332 260 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 260 V C 2.249 178.295 176.094 -0.080 0.000 1.055 260 V CA 1.645 63.908 62.300 -0.061 0.000 1.038 260 V CB -0.332 31.477 31.823 -0.023 0.000 0.651 260 V HN 0.337 nan 8.190 nan 0.000 0.450 261 L N 0.140 121.303 121.223 -0.100 0.000 2.554 261 L HA 0.245 4.585 4.340 -0.000 0.000 0.226 261 L C 1.666 178.438 176.870 -0.163 0.000 1.137 261 L CA 0.795 55.564 54.840 -0.119 0.000 0.863 261 L CB -0.577 41.408 42.059 -0.123 0.000 0.985 261 L HN 0.551 nan 8.230 nan 0.000 0.451 262 G N 0.773 109.451 108.800 -0.204 0.000 2.246 262 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 262 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 262 G C 0.209 174.928 174.900 -0.301 0.000 1.055 262 G CA 0.143 45.108 45.100 -0.224 0.000 0.851 262 G HN 0.108 nan 8.290 nan 0.000 0.500 263 V N -0.495 119.106 119.914 -0.521 0.000 2.763 263 V HA 0.194 4.314 4.120 -0.000 0.000 0.306 263 V C 1.748 177.509 176.094 -0.555 0.000 1.059 263 V CA 0.878 62.774 62.300 -0.673 0.000 1.138 263 V CB 1.187 32.263 31.823 -1.245 0.000 0.940 263 V HN 0.542 nan 8.190 nan 0.000 0.489 264 R N 2.576 122.908 120.500 -0.282 0.000 2.056 264 R HA 0.169 4.509 4.340 -0.000 0.000 0.215 264 R C 2.134 178.445 176.300 0.017 0.000 1.205 264 R CA 0.940 56.970 56.100 -0.118 0.000 1.020 264 R CB -0.416 29.803 30.300 -0.135 0.000 0.911 264 R HN 0.861 nan 8.270 nan 0.000 0.451 265 G N 0.938 109.741 108.800 0.004 0.000 2.486 265 G HA2 0.117 4.077 3.960 -0.000 0.000 0.210 265 G HA3 0.117 4.077 3.960 -0.000 0.000 0.210 265 G C 0.699 175.694 174.900 0.159 0.000 1.168 265 G CA 0.456 45.581 45.100 0.041 0.000 0.820 265 G HN 0.240 nan 8.290 nan 0.000 0.544 266 M N -2.425 117.290 119.600 0.192 0.000 2.880 266 M HA 0.748 5.228 4.480 -0.000 0.000 0.269 266 M C -1.869 174.586 176.300 0.258 0.000 1.248 266 M CA -1.067 54.379 55.300 0.244 0.000 0.821 266 M CB 2.135 34.786 32.600 0.084 0.000 1.650 266 M HN 0.593 nan 8.290 nan 0.000 0.479 267 A N 1.063 124.018 122.820 0.226 0.000 2.585 267 A HA 0.637 4.957 4.320 -0.000 0.000 0.299 267 A C -1.923 175.775 177.584 0.190 0.000 1.047 267 A CA -0.736 51.411 52.037 0.182 0.000 0.723 267 A CB 1.614 20.845 19.000 0.385 0.000 1.275 267 A HN 0.913 nan 8.150 nan 0.000 0.408 268 R N 1.915 122.466 120.500 0.085 0.000 2.265 268 R HA 0.605 4.945 4.340 -0.000 0.000 0.328 268 R C -1.351 174.997 176.300 0.079 0.000 0.969 268 R CA -0.319 55.872 56.100 0.153 0.000 0.832 268 R CB 1.084 31.443 30.300 0.099 0.000 1.139 268 R HN 0.558 nan 8.270 nan 0.000 0.457 269 V N 4.801 124.777 119.914 0.103 0.000 2.370 269 V HA 0.207 4.327 4.120 -0.000 0.000 0.279 269 V C -0.386 175.698 176.094 -0.016 0.000 1.029 269 V CA -0.708 61.597 62.300 0.009 0.000 0.870 269 V CB 1.435 33.312 31.823 0.091 0.000 0.984 269 V HN 0.722 nan 8.190 nan 0.000 0.451 270 D N 4.262 124.541 120.400 -0.201 0.000 2.168 270 D HA 0.640 5.280 4.640 -0.000 0.000 0.246 270 D C -0.641 175.403 176.300 -0.428 0.000 1.050 270 D CA 0.068 53.951 54.000 -0.194 0.000 0.857 270 D CB 1.744 42.403 40.800 -0.236 0.000 1.169 270 D HN 0.274 nan 8.370 nan 0.000 0.453 271 F N 0.584 120.404 119.950 -0.216 0.000 2.593 271 F HA 0.502 5.029 4.527 -0.000 0.000 0.320 271 F C -0.360 175.331 175.800 -0.181 0.000 1.060 271 F CA -1.012 56.875 58.000 -0.188 0.000 0.940 271 F CB 1.287 40.255 39.000 -0.054 0.000 1.268 271 F HN 0.083 nan 8.300 nan 0.000 0.475 272 F N 2.304 122.440 119.950 0.311 0.000 2.469 272 F HA 0.599 5.126 4.527 -0.000 0.000 0.332 272 F C -0.589 175.381 175.800 0.284 0.000 1.103 272 F CA -1.153 56.996 58.000 0.249 0.000 0.979 272 F CB 1.750 40.884 39.000 0.224 0.000 1.137 272 F HN 0.113 nan 8.300 nan 0.000 0.463 273 L N 3.792 125.255 121.223 0.401 0.000 2.345 273 L HA 0.833 5.173 4.340 -0.000 0.000 0.274 273 L C -0.963 176.040 176.870 0.221 0.000 0.999 273 L CA -0.554 54.432 54.840 0.243 0.000 0.849 273 L CB 0.638 42.776 42.059 0.132 0.000 1.220 273 L HN 0.601 nan 8.230 nan 0.000 0.422 274 A N 4.358 127.331 122.820 0.254 0.000 2.319 274 A HA 0.602 4.922 4.320 -0.000 0.000 0.310 274 A C -0.062 177.614 177.584 0.153 0.000 1.152 274 A CA -0.028 52.128 52.037 0.198 0.000 0.783 274 A CB 0.394 19.530 19.000 0.226 0.000 1.184 274 A HN 0.976 nan 8.150 nan 0.000 0.474 275 E N 1.938 122.195 120.200 0.095 0.000 2.131 275 E HA -0.189 4.161 4.350 -0.000 0.000 0.166 275 E C 0.934 177.565 176.600 0.052 0.000 1.514 275 E CA 0.895 57.334 56.400 0.066 0.000 0.646 275 E CB -2.002 27.736 29.700 0.063 0.000 1.051 275 E HN 2.467 nan 8.360 nan 0.000 0.315 276 G N 0.407 109.227 108.800 0.034 0.000 2.245 276 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.264 276 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.264 276 G C 0.033 174.917 174.900 -0.026 0.000 0.985 276 G CA 0.663 45.766 45.100 0.005 0.000 0.625 276 G HN 0.527 nan 8.290 nan 0.000 0.536 277 E N 0.274 120.457 120.200 -0.028 0.000 2.175 277 E HA 0.615 4.965 4.350 -0.000 0.000 0.278 277 E C 0.355 176.782 176.600 -0.287 0.000 0.969 277 E CA -0.551 55.740 56.400 -0.181 0.000 0.796 277 E CB 1.601 31.169 29.700 -0.221 0.000 1.104 277 E HN 0.380 nan 8.360 nan 0.000 0.395 278 L N 2.933 123.953 121.223 -0.339 0.000 2.334 278 L HA 0.383 4.723 4.340 -0.000 0.000 0.277 278 L C -0.766 175.893 176.870 -0.352 0.000 1.075 278 L CA -0.684 54.046 54.840 -0.185 0.000 0.804 278 L CB 0.493 42.492 42.059 -0.100 0.000 1.174 278 L HN 0.441 nan 8.230 nan 0.000 0.438 279 Y N 2.461 122.941 120.300 0.300 0.000 2.354 279 Y HA 0.324 4.873 4.550 -0.000 0.000 0.330 279 Y C -0.275 175.723 175.900 0.164 0.000 1.011 279 Y CA -0.586 57.657 58.100 0.237 0.000 1.099 279 Y CB 1.831 40.437 38.460 0.243 0.000 1.179 279 Y HN 0.366 nan 8.280 nan 0.000 0.442 280 L N 4.399 125.688 121.223 0.110 0.000 2.385 280 L HA 0.206 4.546 4.340 -0.000 0.000 0.281 280 L C 0.888 177.544 176.870 -0.356 0.000 1.106 280 L CA 0.406 54.955 54.840 -0.486 0.000 0.856 280 L CB 0.310 42.112 42.059 -0.429 0.000 1.186 280 L HN 0.906 nan 8.230 nan 0.000 0.453 281 N N 3.335 121.722 118.700 -0.521 0.000 2.178 281 N HA -0.030 4.709 4.740 -0.000 0.000 0.189 281 N C 0.119 175.405 175.510 -0.372 0.000 1.048 281 N CA 0.350 53.115 53.050 -0.475 0.000 0.855 281 N CB 0.399 38.326 38.487 -0.933 0.000 1.028 281 N HN 0.736 nan 8.380 nan 0.000 0.441 282 E N -0.175 119.790 120.200 -0.391 0.000 2.383 282 E HA 0.346 4.696 4.350 -0.000 0.000 0.275 282 E C -1.917 174.541 176.600 -0.238 0.000 0.918 282 E CA -0.592 55.647 56.400 -0.268 0.000 0.764 282 E CB 1.886 31.458 29.700 -0.212 0.000 1.252 282 E HN 0.140 nan 8.360 nan 0.000 0.449 283 L N 3.605 124.730 121.223 -0.163 0.000 2.345 283 L HA 0.455 4.794 4.340 -0.000 0.000 0.274 283 L C -1.391 175.442 176.870 -0.063 0.000 0.999 283 L CA -0.518 54.262 54.840 -0.101 0.000 0.849 283 L CB 0.895 42.904 42.059 -0.084 0.000 1.220 283 L HN 0.492 nan 8.230 nan 0.000 0.422 284 N N 1.422 120.097 118.700 -0.042 0.000 2.406 284 N HA 0.151 4.891 4.740 -0.000 0.000 0.251 284 N C 1.114 176.622 175.510 -0.004 0.000 1.069 284 N CA -0.138 52.895 53.050 -0.027 0.000 0.947 284 N CB 1.381 39.844 38.487 -0.039 0.000 1.111 284 N HN 0.563 nan 8.380 nan 0.000 0.497 285 T N -0.897 113.663 114.554 0.010 0.000 3.023 285 T HA 0.092 4.441 4.350 -0.000 0.000 0.266 285 T C 0.703 175.432 174.700 0.048 0.000 1.093 285 T CA 0.720 62.832 62.100 0.020 0.000 1.129 285 T CB 0.168 69.043 68.868 0.011 0.000 0.899 285 T HN 0.285 nan 8.240 nan 0.000 0.491 286 I N 3.757 124.387 120.570 0.101 0.000 2.595 286 I HA 0.404 4.574 4.170 -0.000 0.000 0.275 286 I C -2.587 173.681 176.117 0.252 0.000 1.092 286 I CA -2.800 58.618 61.300 0.197 0.000 1.145 286 I CB 1.186 39.311 38.000 0.209 0.000 1.276 286 I HN 0.086 nan 8.210 nan 0.000 0.497 287 P HA 0.245 nan 4.420 nan 0.000 0.289 287 P C 0.258 177.573 177.300 0.026 0.000 1.299 287 P CA -0.120 62.939 63.100 -0.068 0.000 0.766 287 P CB 1.274 32.754 31.700 -0.366 0.000 1.226 288 G N -1.202 107.538 108.800 -0.100 0.000 2.507 288 G HA2 0.427 4.387 3.960 -0.000 0.000 0.271 288 G HA3 0.427 4.387 3.960 -0.000 0.000 0.271 288 G C -0.893 173.867 174.900 -0.234 0.000 1.189 288 G CA -0.439 44.666 45.100 0.008 0.000 0.859 288 G HN 0.359 nan 8.290 nan 0.000 0.542 289 F N 0.001 120.100 119.950 0.248 0.000 2.811 289 F HA 0.211 4.738 4.527 0.000 0.000 0.342 289 F C 1.434 177.378 175.800 0.241 0.000 1.203 289 F CA -0.448 57.749 58.000 0.329 0.000 1.173 289 F CB 0.532 39.740 39.000 0.346 0.000 1.094 289 F HN 0.547 nan 8.300 nan 0.000 0.510 290 T N -1.856 112.832 114.554 0.222 0.000 2.816 290 T HA 0.190 4.540 4.350 -0.000 0.000 0.282 290 T C -1.233 173.478 174.700 0.020 0.000 0.993 290 T CA -1.534 60.633 62.100 0.113 0.000 0.994 290 T CB 1.282 70.195 68.868 0.074 0.000 1.025 290 T HN -0.059 nan 8.240 nan 0.000 0.529 291 P HA -0.014 nan 4.420 nan 0.000 0.230 291 P C 1.166 178.431 177.300 -0.058 0.000 1.158 291 P CA 0.842 63.878 63.100 -0.106 0.000 0.769 291 P CB 0.030 31.677 31.700 -0.089 0.000 0.807 292 T N -1.524 113.016 114.554 -0.023 0.000 3.044 292 T HA 0.124 4.474 4.350 -0.000 0.000 0.250 292 T C 0.729 175.420 174.700 -0.014 0.000 1.081 292 T CA 0.021 62.110 62.100 -0.019 0.000 1.040 292 T CB -0.394 68.468 68.868 -0.009 0.000 0.962 292 T HN 0.000 nan 8.240 nan 0.000 0.506 293 S N 2.139 117.840 115.700 0.002 0.000 2.549 293 S HA 0.102 4.571 4.470 -0.000 0.000 0.286 293 S C 1.137 175.739 174.600 0.004 0.000 1.314 293 S CA -0.303 57.900 58.200 0.004 0.000 1.062 293 S CB 0.885 64.093 63.200 0.013 0.000 0.865 293 S HN 0.413 nan 8.310 nan 0.000 0.498 294 M N 4.192 123.792 119.600 -0.000 0.000 2.065 294 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 294 M C 1.639 177.959 176.300 0.032 0.000 1.069 294 M CA 1.841 57.142 55.300 0.001 0.000 1.110 294 M CB -0.799 31.799 32.600 -0.003 0.000 1.328 294 M HN 0.830 nan 8.290 nan 0.000 0.405 295 Y N 1.367 121.629 120.300 -0.063 0.000 2.040 295 Y HA -0.229 4.321 4.550 -0.000 0.000 0.275 295 Y C -0.820 175.137 175.900 0.095 0.000 1.171 295 Y CA 2.969 61.061 58.100 -0.014 0.000 1.123 295 Y CB -1.663 36.726 38.460 -0.120 0.000 0.963 295 Y HN 0.280 nan 8.280 nan 0.000 0.493 296 P HA -0.175 nan 4.420 nan 0.000 0.217 296 P C 1.068 178.421 177.300 0.088 0.000 1.150 296 P CA 1.844 65.044 63.100 0.168 0.000 0.832 296 P CB -0.192 31.744 31.700 0.392 0.000 0.787 297 R N -0.969 119.546 120.500 0.025 0.000 2.096 297 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 297 R C 2.380 178.644 176.300 -0.061 0.000 1.127 297 R CA 0.890 56.981 56.100 -0.015 0.000 0.968 297 R CB -0.948 29.333 30.300 -0.033 0.000 0.861 297 R HN 0.174 nan 8.270 nan 0.000 0.440 298 L N -0.438 120.712 121.223 -0.122 0.000 2.046 298 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 298 L C 1.956 178.634 176.870 -0.319 0.000 1.077 298 L CA 1.682 56.378 54.840 -0.240 0.000 0.747 298 L CB -0.601 41.264 42.059 -0.324 0.000 0.896 298 L HN 0.023 nan 8.230 nan 0.000 0.432 299 F N -0.221 119.604 119.950 -0.208 0.000 2.325 299 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 299 F C 2.371 178.122 175.800 -0.083 0.000 1.090 299 F CA 0.754 58.651 58.000 -0.171 0.000 1.392 299 F CB -0.281 38.571 39.000 -0.247 0.000 1.053 299 F HN 0.195 nan 8.300 nan 0.000 0.521 300 E N 0.060 120.314 120.200 0.089 0.000 2.031 300 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 300 E C 2.442 179.051 176.600 0.015 0.000 0.994 300 E CA 1.140 57.577 56.400 0.062 0.000 0.800 300 E CB -0.381 29.343 29.700 0.040 0.000 0.752 300 E HN 0.331 nan 8.360 nan 0.000 0.447 301 A N 0.966 123.769 122.820 -0.028 0.000 2.024 301 A HA -0.118 4.201 4.320 -0.000 0.000 0.220 301 A C 2.234 179.787 177.584 -0.050 0.000 1.164 301 A CA 1.604 53.611 52.037 -0.049 0.000 0.643 301 A CB -0.739 18.214 19.000 -0.078 0.000 0.806 301 A HN 0.342 nan 8.150 nan 0.000 0.451 302 G N -2.147 106.619 108.800 -0.056 0.000 3.088 302 G HA2 0.380 4.339 3.960 -0.000 0.000 0.212 302 G HA3 0.380 4.339 3.960 -0.000 0.000 0.212 302 G C 1.062 175.979 174.900 0.027 0.000 1.173 302 G CA 0.461 45.537 45.100 -0.039 0.000 0.779 302 G HN 1.624 nan 8.290 nan 0.000 0.540 303 G N -1.338 107.482 108.800 0.033 0.000 2.131 303 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.223 303 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.223 303 G C -0.003 174.934 174.900 0.062 0.000 0.990 303 G CA 0.060 45.184 45.100 0.039 0.000 0.671 303 G HN 0.816 nan 8.290 nan 0.000 0.521 304 V N 1.200 121.173 119.914 0.099 0.000 2.304 304 V HA 0.749 4.869 4.120 -0.000 0.000 0.278 304 V C 0.897 177.049 176.094 0.098 0.000 1.018 304 V CA -0.548 61.810 62.300 0.097 0.000 0.814 304 V CB 0.850 32.749 31.823 0.127 0.000 1.021 304 V HN 1.113 nan 8.190 nan 0.000 0.440 305 A N 3.182 126.045 122.820 0.071 0.000 2.466 305 A HA 0.240 4.560 4.320 -0.000 0.000 0.238 305 A C 0.907 178.570 177.584 0.131 0.000 1.074 305 A CA 0.163 52.252 52.037 0.086 0.000 0.774 305 A CB -0.015 19.016 19.000 0.052 0.000 1.015 305 A HN 0.832 nan 8.150 nan 0.000 0.498 306 Y N 2.683 122.990 120.300 0.011 0.000 2.069 306 Y HA -0.169 4.380 4.550 -0.001 0.000 0.278 306 Y C -0.757 175.181 175.900 0.064 0.000 1.175 306 Y CA 2.982 61.109 58.100 0.046 0.000 1.134 306 Y CB -1.310 37.139 38.460 -0.018 0.000 0.965 306 Y HN 0.542 nan 8.280 nan 0.000 0.498 307 P HA -0.167 nan 4.420 nan 0.000 0.216 307 P C 1.393 178.666 177.300 -0.044 0.000 1.153 307 P CA 2.228 65.320 63.100 -0.013 0.000 0.848 307 P CB -0.019 31.701 31.700 0.033 0.000 0.787 308 E N -0.375 119.816 120.200 -0.015 0.000 2.110 308 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 308 E C 1.785 178.373 176.600 -0.021 0.000 0.988 308 E CA 0.815 57.205 56.400 -0.016 0.000 0.804 308 E CB -1.203 28.497 29.700 -0.000 0.000 0.745 308 E HN -0.007 nan 8.360 nan 0.000 0.458 309 L N 0.193 121.401 121.223 -0.024 0.000 1.994 309 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 309 L C 2.161 179.025 176.870 -0.010 0.000 1.071 309 L CA 1.751 56.571 54.840 -0.034 0.000 0.745 309 L CB -0.601 41.471 42.059 0.020 0.000 0.892 309 L HN 0.278 nan 8.230 nan 0.000 0.431 310 L N -0.751 120.437 121.223 -0.058 0.000 2.046 310 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 310 L C 2.812 179.738 176.870 0.093 0.000 1.077 310 L CA 1.589 56.420 54.840 -0.015 0.000 0.747 310 L CB -0.653 41.333 42.059 -0.123 0.000 0.896 310 L HN 0.347 nan 8.230 nan 0.000 0.432 311 R N 0.559 121.102 120.500 0.072 0.000 2.073 311 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 311 R C 2.479 178.885 176.300 0.177 0.000 1.134 311 R CA 1.496 57.706 56.100 0.182 0.000 0.952 311 R CB -0.070 30.239 30.300 0.015 0.000 0.850 311 R HN 0.279 nan 8.270 nan 0.000 0.433 312 R N 0.147 120.687 120.500 0.067 0.000 2.096 312 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 312 R C 2.394 178.697 176.300 0.007 0.000 1.127 312 R CA 1.282 57.400 56.100 0.030 0.000 0.968 312 R CB -0.266 30.023 30.300 -0.017 0.000 0.861 312 R HN 0.274 nan 8.270 nan 0.000 0.440 313 L N 0.009 121.229 121.223 -0.005 0.000 2.056 313 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 313 L C 2.339 179.140 176.870 -0.116 0.000 1.078 313 L CA 0.942 55.736 54.840 -0.077 0.000 0.749 313 L CB -0.413 41.572 42.059 -0.122 0.000 0.901 313 L HN 0.030 nan 8.230 nan 0.000 0.433 314 V N -0.478 119.411 119.914 -0.041 0.000 2.295 314 V HA -0.232 3.887 4.120 -0.000 0.000 0.246 314 V C 2.549 178.584 176.094 -0.099 0.000 1.049 314 V CA 1.587 63.840 62.300 -0.079 0.000 1.024 314 V CB -0.424 31.373 31.823 -0.043 0.000 0.648 314 V HN 0.410 nan 8.190 nan 0.000 0.447 315 E N 0.033 120.219 120.200 -0.024 0.000 2.110 315 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 315 E C 2.201 178.774 176.600 -0.045 0.000 0.988 315 E CA 1.042 57.428 56.400 -0.024 0.000 0.804 315 E CB -0.327 29.397 29.700 0.040 0.000 0.745 315 E HN 0.522 nan 8.360 nan 0.000 0.458 316 L N 0.417 121.611 121.223 -0.048 0.000 2.083 316 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 316 L C 2.479 179.291 176.870 -0.096 0.000 1.083 316 L CA 1.001 55.808 54.840 -0.054 0.000 0.752 316 L CB -0.528 41.505 42.059 -0.043 0.000 0.899 316 L HN 0.054 nan 8.230 nan 0.000 0.433 317 A N 0.087 122.827 122.820 -0.134 0.000 1.978 317 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 317 A C 2.162 179.656 177.584 -0.150 0.000 1.170 317 A CA 1.480 53.408 52.037 -0.182 0.000 0.636 317 A CB -0.604 18.285 19.000 -0.186 0.000 0.810 317 A HN 0.437 nan 8.150 nan 0.000 0.448 318 L N -0.250 120.908 121.223 -0.108 0.000 2.492 318 L HA 0.048 4.387 4.340 -0.000 0.000 0.223 318 L C 1.361 178.192 176.870 -0.065 0.000 1.132 318 L CA 0.723 55.513 54.840 -0.083 0.000 0.850 318 L CB -0.507 41.510 42.059 -0.071 0.000 0.966 318 L HN 0.572 nan 8.230 nan 0.000 0.454 319 T N 0.000 114.518 114.554 -0.061 0.000 3.816 319 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 319 T CA 0.000 62.077 62.100 -0.039 0.000 1.349 319 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658