REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mxf_1_C DATA FIRST_RESID 11 DATA SEQUENCE CPAAVITGGA RRIGHSIAVR LHQQGFRVVV HYRHSEGAAQ RLVAELNAAR DATA SEQUENCE AGSAVLCKGD LSLSSSLLDC CEDIIDCSFR AFGRCDVLVN NASAYYPTPL DATA SEQUENCE LPXXXXXXXX XXKPIDAQVA ELFGSNAVAP LFLIRAFARR QXXXXXXXXX DATA SEQUENCE NLSVVNLCDA XTDLPLPGFC VYTXAKHALG GLTRAAALEL APRHIRVNAV DATA SEQUENCE APGLSLLPPA XPQETQEEYR RKVPLGQSEA SAAQIADAIA FLVSKDAGYI DATA SEQUENCE TGTTLKVDGG LILARA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 C HA 0.000 nan 4.460 nan 0.000 0.325 11 C C 0.000 174.872 174.990 -0.196 0.000 1.270 11 C CA 0.000 58.906 59.018 -0.187 0.000 1.963 11 C CB 0.000 27.629 27.740 -0.184 0.000 2.134 12 P HA 0.507 nan 4.420 nan 0.000 0.274 12 P C -0.898 176.362 177.300 -0.067 0.000 1.237 12 P CA 0.089 63.088 63.100 -0.169 0.000 0.793 12 P CB 1.113 32.636 31.700 -0.295 0.000 0.977 13 A N 1.040 123.891 122.820 0.052 0.000 2.350 13 A HA 0.742 5.061 4.320 -0.001 0.000 0.324 13 A C -0.772 176.883 177.584 0.119 0.000 1.118 13 A CA -0.657 51.370 52.037 -0.018 0.000 0.783 13 A CB 1.364 20.303 19.000 -0.101 0.000 1.236 13 A HN 0.632 nan 8.150 nan 0.000 0.457 14 A N 1.342 124.188 122.820 0.043 0.000 2.393 14 A HA 0.669 4.988 4.320 -0.001 0.000 0.306 14 A C -0.998 176.592 177.584 0.009 0.000 1.050 14 A CA -0.438 51.568 52.037 -0.052 0.000 0.724 14 A CB 1.346 20.158 19.000 -0.314 0.000 1.248 14 A HN 1.110 nan 8.150 nan 0.000 0.424 15 V N 3.065 122.988 119.914 0.015 0.000 2.394 15 V HA 0.416 4.535 4.120 -0.001 0.000 0.282 15 V C -0.804 175.290 176.094 -0.000 0.000 1.031 15 V CA -0.115 62.215 62.300 0.050 0.000 0.881 15 V CB 1.003 32.869 31.823 0.073 0.000 0.982 15 V HN 0.663 nan 8.190 nan 0.000 0.451 16 I N 4.508 125.099 120.570 0.036 0.000 2.411 16 I HA 0.341 4.510 4.170 -0.001 0.000 0.284 16 I C 0.632 176.800 176.117 0.084 0.000 1.012 16 I CA -0.109 61.205 61.300 0.023 0.000 1.119 16 I CB 1.975 39.987 38.000 0.020 0.000 1.261 16 I HN 0.715 nan 8.210 nan 0.000 0.448 17 T N 1.831 116.402 114.554 0.028 0.000 2.907 17 T HA 0.501 4.851 4.350 -0.001 0.000 0.298 17 T C 1.072 175.898 174.700 0.211 0.000 1.017 17 T CA -0.097 62.028 62.100 0.040 0.000 1.118 17 T CB 1.210 69.951 68.868 -0.211 0.000 0.948 17 T HN 1.192 nan 8.240 nan 0.000 0.531 18 G N 1.519 110.622 108.800 0.504 0.000 2.323 18 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.292 18 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.292 18 G C 0.710 175.723 174.900 0.189 0.000 1.040 18 G CA -0.018 45.252 45.100 0.284 0.000 0.942 18 G HN 1.483 nan 8.290 nan 0.000 0.506 19 G N -1.160 107.760 108.800 0.200 0.000 3.371 19 G HA2 0.522 4.481 3.960 -0.001 0.000 0.248 19 G HA3 0.522 4.481 3.960 -0.001 0.000 0.248 19 G C 1.376 176.360 174.900 0.140 0.000 1.161 19 G CA 1.273 46.456 45.100 0.139 0.000 0.796 19 G HN 1.250 nan 8.290 nan 0.000 0.539 20 A N 0.345 123.249 122.820 0.140 0.000 1.970 20 A HA 0.391 4.710 4.320 -0.001 0.000 0.216 20 A C 1.543 179.212 177.584 0.141 0.000 1.170 20 A CA 0.538 52.644 52.037 0.115 0.000 0.645 20 A CB 0.181 19.200 19.000 0.033 0.000 0.816 20 A HN 0.358 nan 8.150 nan 0.000 0.447 21 R N -3.188 117.378 120.500 0.109 0.000 2.885 21 R HA 0.612 4.952 4.340 -0.001 0.000 0.260 21 R C 0.126 176.472 176.300 0.077 0.000 1.107 21 R CA -0.990 55.133 56.100 0.037 0.000 0.978 21 R CB 0.948 31.240 30.300 -0.012 0.000 1.227 21 R HN 0.304 nan 8.270 nan 0.000 0.473 22 R N -0.339 120.172 120.500 0.017 0.000 3.630 22 R HA -0.322 4.017 4.340 -0.001 0.000 0.547 22 R C 1.567 177.912 176.300 0.075 0.000 0.241 22 R CA 1.735 57.854 56.100 0.032 0.000 1.698 22 R CB -1.399 28.911 30.300 0.018 0.000 0.916 22 R HN 0.605 nan 8.270 nan 0.000 0.601 23 I N 0.441 121.038 120.570 0.045 0.000 2.208 23 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 23 I C 2.531 178.681 176.117 0.055 0.000 1.097 23 I CA 1.914 63.238 61.300 0.040 0.000 1.363 23 I CB -0.762 37.244 38.000 0.011 0.000 1.051 23 I HN 0.788 nan 8.210 nan 0.000 0.413 24 G N -0.290 108.550 108.800 0.066 0.000 2.442 24 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.219 24 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.219 24 G C 1.469 176.418 174.900 0.080 0.000 1.141 24 G CA 1.307 46.447 45.100 0.068 0.000 0.763 24 G HN 0.448 nan 8.290 nan 0.000 0.554 25 H N 0.482 119.562 119.070 0.016 0.000 2.321 25 H HA -0.061 4.494 4.556 -0.001 0.000 0.300 25 H C 2.774 178.106 175.328 0.007 0.000 1.087 25 H CA 2.032 58.086 56.048 0.010 0.000 1.319 25 H CB -0.230 29.534 29.762 0.003 0.000 1.379 25 H HN 0.300 nan 8.280 nan 0.000 0.501 26 S N -0.768 114.985 115.700 0.090 0.000 2.399 26 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 26 S C 2.136 176.722 174.600 -0.023 0.000 1.022 26 S CA 1.379 59.598 58.200 0.032 0.000 0.983 26 S CB -0.378 62.861 63.200 0.065 0.000 0.803 26 S HN 0.499 nan 8.310 nan 0.000 0.480 27 I N 1.378 121.937 120.570 -0.019 0.000 2.353 27 I HA -0.061 4.108 4.170 -0.001 0.000 0.248 27 I C 2.793 178.878 176.117 -0.053 0.000 1.119 27 I CA 0.946 62.226 61.300 -0.033 0.000 1.417 27 I CB -0.519 37.461 38.000 -0.033 0.000 1.078 27 I HN 0.346 nan 8.210 nan 0.000 0.421 28 A N 0.613 123.392 122.820 -0.069 0.000 1.902 28 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 28 A C 2.423 179.974 177.584 -0.054 0.000 1.181 28 A CA 1.738 53.735 52.037 -0.067 0.000 0.623 28 A CB -0.885 18.061 19.000 -0.090 0.000 0.818 28 A HN 0.242 nan 8.150 nan 0.000 0.443 29 V N -0.279 119.561 119.914 -0.124 0.000 2.379 29 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 29 V C 2.627 178.739 176.094 0.030 0.000 1.044 29 V CA 2.214 64.469 62.300 -0.076 0.000 1.036 29 V CB -0.793 30.945 31.823 -0.142 0.000 0.664 29 V HN 0.590 nan 8.190 nan 0.000 0.453 30 R N 0.510 121.018 120.500 0.013 0.000 2.073 30 R HA -0.067 4.272 4.340 -0.001 0.000 0.234 30 R C 2.096 178.440 176.300 0.074 0.000 1.134 30 R CA 1.747 57.871 56.100 0.039 0.000 0.952 30 R CB -0.777 29.536 30.300 0.021 0.000 0.850 30 R HN 0.461 nan 8.270 nan 0.000 0.433 31 L N -0.282 120.974 121.223 0.054 0.000 2.131 31 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 31 L C 2.593 179.597 176.870 0.223 0.000 1.092 31 L CA 1.488 56.387 54.840 0.098 0.000 0.759 31 L CB -0.688 41.291 42.059 -0.133 0.000 0.903 31 L HN 0.440 nan 8.230 nan 0.000 0.435 32 H N 0.743 119.855 119.070 0.070 0.000 2.363 32 H HA -0.121 4.435 4.556 -0.001 0.000 0.301 32 H C 1.859 177.213 175.328 0.043 0.000 1.074 32 H CA 1.342 57.424 56.048 0.056 0.000 1.354 32 H CB 0.249 30.016 29.762 0.007 0.000 1.397 32 H HN 0.426 nan 8.280 nan 0.000 0.516 33 Q N 0.092 119.971 119.800 0.132 0.000 2.561 33 Q HA -0.097 4.242 4.340 -0.001 0.000 0.217 33 Q C 1.134 177.140 176.000 0.010 0.000 0.980 33 Q CA 0.711 56.556 55.803 0.070 0.000 0.927 33 Q CB 0.177 28.963 28.738 0.080 0.000 0.980 33 Q HN 0.627 nan 8.270 nan 0.000 0.525 34 Q N -1.430 118.384 119.800 0.023 0.000 2.179 34 Q HA 0.184 4.523 4.340 -0.001 0.000 0.213 34 Q C 0.663 176.593 176.000 -0.116 0.000 0.833 34 Q CA 0.327 56.136 55.803 0.011 0.000 0.990 34 Q CB 1.378 30.194 28.738 0.130 0.000 1.132 34 Q HN 0.463 nan 8.270 nan 0.000 0.493 35 G N 0.655 109.341 108.800 -0.191 0.000 2.213 35 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.226 35 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.226 35 G C -0.118 174.567 174.900 -0.360 0.000 0.992 35 G CA -0.586 44.335 45.100 -0.298 0.000 0.632 35 G HN 0.263 nan 8.290 nan 0.000 0.511 36 F N 2.006 121.824 119.950 -0.219 0.000 2.484 36 F HA 0.526 5.052 4.527 -0.002 0.000 0.360 36 F C 1.470 177.106 175.800 -0.272 0.000 1.101 36 F CA 0.048 57.922 58.000 -0.210 0.000 1.251 36 F CB 0.642 39.565 39.000 -0.129 0.000 1.132 36 F HN -0.063 nan 8.300 nan 0.000 0.570 37 R N 2.868 123.273 120.500 -0.159 0.000 2.198 37 R HA 0.452 4.791 4.340 -0.001 0.000 0.339 37 R C -1.025 175.063 176.300 -0.355 0.000 1.020 37 R CA -0.740 55.083 56.100 -0.461 0.000 0.864 37 R CB 1.098 30.701 30.300 -1.162 0.000 1.105 37 R HN 0.523 nan 8.270 nan 0.000 0.463 38 V N 0.734 120.636 119.914 -0.021 0.000 2.644 38 V HA 0.498 4.617 4.120 -0.001 0.000 0.295 38 V C 0.071 176.332 176.094 0.278 0.000 1.053 38 V CA -0.740 61.625 62.300 0.108 0.000 0.987 38 V CB 1.876 33.767 31.823 0.113 0.000 1.006 38 V HN 0.322 nan 8.190 nan 0.000 0.472 39 V N 4.948 125.015 119.914 0.254 0.000 2.334 39 V HA 0.314 4.433 4.120 -0.001 0.000 0.281 39 V C 0.065 176.277 176.094 0.196 0.000 1.016 39 V CA -0.427 62.032 62.300 0.265 0.000 0.832 39 V CB 1.444 33.417 31.823 0.250 0.000 0.999 39 V HN 0.788 nan 8.190 nan 0.000 0.439 40 V N 5.892 125.919 119.914 0.189 0.000 2.353 40 V HA 0.248 4.367 4.120 -0.001 0.000 0.264 40 V C 0.325 176.577 176.094 0.263 0.000 1.049 40 V CA -0.394 62.017 62.300 0.184 0.000 0.896 40 V CB 0.484 32.383 31.823 0.128 0.000 1.025 40 V HN 0.874 nan 8.190 nan 0.000 0.475 41 H N 6.322 125.493 119.070 0.169 0.000 2.483 41 H HA 0.601 5.156 4.556 -0.001 0.000 0.338 41 H C -1.095 174.382 175.328 0.248 0.000 1.152 41 H CA -0.330 55.815 56.048 0.161 0.000 1.264 41 H CB 1.859 31.661 29.762 0.066 0.000 1.510 41 H HN 0.654 nan 8.280 nan 0.000 0.530 42 Y N 1.599 121.250 120.300 -1.082 0.000 2.750 42 Y HA 0.333 4.882 4.550 -0.001 0.000 0.335 42 Y C 0.084 175.612 175.900 -0.620 0.000 1.252 42 Y CA -1.069 56.636 58.100 -0.658 0.000 1.064 42 Y CB 0.948 39.270 38.460 -0.229 0.000 1.321 42 Y HN 0.587 nan 8.280 nan 0.000 0.451 43 R N -0.876 119.466 120.500 -0.263 0.000 2.411 43 R HA 0.198 4.537 4.340 -0.001 0.000 0.176 43 R C 0.617 176.842 176.300 -0.126 0.000 1.072 43 R CA 0.466 56.366 56.100 -0.333 0.000 1.132 43 R CB 0.158 30.257 30.300 -0.335 0.000 1.203 43 R HN 0.905 nan 8.270 nan 0.000 0.537 44 H N -0.464 118.711 119.070 0.175 0.000 2.681 44 H HA 0.322 4.878 4.556 -0.001 0.000 0.268 44 H C 0.460 175.886 175.328 0.163 0.000 0.967 44 H CA 0.268 56.411 56.048 0.159 0.000 1.233 44 H CB 0.725 30.544 29.762 0.095 0.000 1.445 44 H HN 0.032 nan 8.280 nan 0.000 0.494 45 S N 2.722 118.584 115.700 0.270 0.000 3.544 45 S HA -0.040 4.429 4.470 -0.001 0.000 0.227 45 S C 1.738 176.219 174.600 -0.199 0.000 1.387 45 S CA -0.053 58.188 58.200 0.068 0.000 1.182 45 S CB 0.149 63.380 63.200 0.051 0.000 1.243 45 S HN 0.382 nan 8.310 nan 0.000 0.467 46 E N 2.433 122.520 120.200 -0.187 0.000 2.058 46 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 46 E C 2.068 178.465 176.600 -0.338 0.000 0.997 46 E CA 1.546 57.658 56.400 -0.480 0.000 0.801 46 E CB -0.441 29.236 29.700 -0.037 0.000 0.746 46 E HN 0.609 nan 8.360 nan 0.000 0.450 47 G N 1.011 109.716 108.800 -0.158 0.000 2.459 47 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 47 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 47 G C 1.790 176.615 174.900 -0.126 0.000 1.183 47 G CA 1.757 46.789 45.100 -0.112 0.000 0.776 47 G HN 0.457 nan 8.290 nan 0.000 0.552 48 A N 1.111 123.859 122.820 -0.119 0.000 1.940 48 A HA 0.170 4.489 4.320 -0.001 0.000 0.219 48 A C 2.804 180.328 177.584 -0.099 0.000 1.176 48 A CA 2.478 54.460 52.037 -0.092 0.000 0.631 48 A CB -0.773 18.185 19.000 -0.071 0.000 0.814 48 A HN 0.865 nan 8.150 nan 0.000 0.446 49 A N -0.940 121.748 122.820 -0.220 0.000 1.898 49 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 49 A C 2.125 179.615 177.584 -0.156 0.000 1.181 49 A CA 1.629 53.522 52.037 -0.239 0.000 0.620 49 A CB -0.527 18.103 19.000 -0.618 0.000 0.819 49 A HN 0.648 nan 8.150 nan 0.000 0.442 50 Q N -0.722 118.974 119.800 -0.174 0.000 2.084 50 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 50 Q C 2.405 178.375 176.000 -0.050 0.000 0.978 50 Q CA 1.449 57.196 55.803 -0.093 0.000 0.844 50 Q CB -0.155 28.532 28.738 -0.085 0.000 0.898 50 Q HN 0.600 nan 8.270 nan 0.000 0.426 51 R N 0.114 120.586 120.500 -0.047 0.000 2.073 51 R HA -0.144 4.195 4.340 -0.001 0.000 0.234 51 R C 2.337 178.637 176.300 0.000 0.000 1.134 51 R CA 1.075 57.164 56.100 -0.020 0.000 0.952 51 R CB -0.481 29.807 30.300 -0.019 0.000 0.850 51 R HN 0.180 nan 8.270 nan 0.000 0.433 52 L N 0.955 122.191 121.223 0.021 0.000 2.012 52 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 52 L C 2.119 178.973 176.870 -0.026 0.000 1.073 52 L CA 1.634 56.496 54.840 0.036 0.000 0.748 52 L CB -0.523 41.583 42.059 0.078 0.000 0.891 52 L HN -0.087 nan 8.230 nan 0.000 0.431 53 V N 0.214 120.117 119.914 -0.019 0.000 2.287 53 V HA -0.325 3.795 4.120 -0.001 0.000 0.248 53 V C 2.826 178.911 176.094 -0.016 0.000 1.053 53 V CA 1.754 64.047 62.300 -0.010 0.000 1.027 53 V CB -1.389 30.443 31.823 0.014 0.000 0.646 53 V HN 0.649 nan 8.190 nan 0.000 0.447 54 A N -0.494 122.318 122.820 -0.012 0.000 1.877 54 A HA -0.298 4.022 4.320 -0.001 0.000 0.216 54 A C 2.291 179.864 177.584 -0.018 0.000 1.186 54 A CA 2.065 54.097 52.037 -0.007 0.000 0.620 54 A CB -0.610 18.387 19.000 -0.006 0.000 0.822 54 A HN 0.628 nan 8.150 nan 0.000 0.443 55 E N -0.296 119.887 120.200 -0.028 0.000 2.160 55 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 55 E C 1.844 178.392 176.600 -0.087 0.000 0.991 55 E CA 1.157 57.534 56.400 -0.038 0.000 0.810 55 E CB -0.171 29.515 29.700 -0.024 0.000 0.742 55 E HN 0.664 nan 8.360 nan 0.000 0.466 56 L N 0.451 121.582 121.223 -0.154 0.000 2.162 56 L HA -0.055 4.284 4.340 -0.001 0.000 0.205 56 L C 2.200 178.992 176.870 -0.130 0.000 1.086 56 L CA 0.398 55.033 54.840 -0.342 0.000 0.778 56 L CB -0.332 41.404 42.059 -0.538 0.000 0.928 56 L HN 0.118 nan 8.230 nan 0.000 0.446 57 N N 0.522 119.207 118.700 -0.025 0.000 2.331 57 N HA -0.085 4.654 4.740 -0.001 0.000 0.180 57 N C 1.855 177.392 175.510 0.046 0.000 1.019 57 N CA 1.238 54.319 53.050 0.051 0.000 0.881 57 N CB 0.054 38.572 38.487 0.052 0.000 0.972 57 N HN 0.265 nan 8.380 nan 0.000 0.435 58 A N 0.948 123.779 122.820 0.020 0.000 1.933 58 A HA 0.027 4.346 4.320 -0.001 0.000 0.218 58 A C 2.294 179.901 177.584 0.038 0.000 1.175 58 A CA 1.759 53.810 52.037 0.023 0.000 0.628 58 A CB -0.506 18.500 19.000 0.010 0.000 0.814 58 A HN 0.299 nan 8.150 nan 0.000 0.444 59 A N -1.492 121.358 122.820 0.050 0.000 2.016 59 A HA 0.206 4.526 4.320 -0.001 0.000 0.217 59 A C 1.211 178.863 177.584 0.112 0.000 1.162 59 A CA 0.506 52.595 52.037 0.085 0.000 0.662 59 A CB 0.072 19.144 19.000 0.120 0.000 0.812 59 A HN 0.392 nan 8.150 nan 0.000 0.450 60 R N -0.930 119.653 120.500 0.138 0.000 2.659 60 R HA 0.424 4.763 4.340 -0.001 0.000 0.290 60 R C -0.841 175.531 176.300 0.120 0.000 1.253 60 R CA -0.101 56.072 56.100 0.122 0.000 1.010 60 R CB 1.494 31.871 30.300 0.129 0.000 1.236 60 R HN 0.303 nan 8.270 nan 0.000 0.413 61 A N 0.983 123.853 122.820 0.083 0.000 2.531 61 A HA 0.379 4.699 4.320 -0.001 0.000 0.236 61 A C 1.318 178.967 177.584 0.108 0.000 1.062 61 A CA 1.151 53.237 52.037 0.081 0.000 0.760 61 A CB -0.110 18.925 19.000 0.059 0.000 0.995 61 A HN 1.043 nan 8.150 nan 0.000 0.501 62 G N 1.145 110.019 108.800 0.122 0.000 2.258 62 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.274 62 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.274 62 G C 0.780 175.853 174.900 0.288 0.000 1.021 62 G CA 1.276 46.480 45.100 0.173 0.000 0.798 62 G HN 2.179 nan 8.290 nan 0.000 0.507 63 S N -1.990 113.864 115.700 0.257 0.000 2.557 63 S HA 0.747 5.216 4.470 -0.001 0.000 0.223 63 S C 0.691 175.483 174.600 0.320 0.000 0.969 63 S CA 0.916 59.267 58.200 0.251 0.000 0.927 63 S CB 0.824 64.176 63.200 0.253 0.000 0.806 63 S HN 1.954 nan 8.310 nan 0.000 0.489 64 A N 0.263 123.305 122.820 0.369 0.000 2.547 64 A HA 0.787 5.106 4.320 -0.001 0.000 0.297 64 A C -1.190 176.554 177.584 0.268 0.000 1.056 64 A CA -0.637 51.598 52.037 0.330 0.000 0.688 64 A CB 1.763 20.851 19.000 0.146 0.000 1.282 64 A HN 0.754 nan 8.150 nan 0.000 0.400 65 V N 2.421 122.483 119.914 0.248 0.000 3.114 65 V HA 0.770 4.890 4.120 -0.001 0.000 0.308 65 V C -1.601 174.570 176.094 0.128 0.000 1.168 65 V CA -0.698 61.670 62.300 0.114 0.000 1.015 65 V CB 2.010 33.818 31.823 -0.025 0.000 1.050 65 V HN 1.010 nan 8.190 nan 0.000 0.433 66 L N 3.501 124.790 121.223 0.111 0.000 2.352 66 L HA 0.824 5.163 4.340 -0.001 0.000 0.269 66 L C -0.536 176.442 176.870 0.179 0.000 1.034 66 L CA -0.064 54.879 54.840 0.172 0.000 0.806 66 L CB 1.504 43.664 42.059 0.169 0.000 1.244 66 L HN 0.904 nan 8.230 nan 0.000 0.447 67 C N 3.735 123.172 119.300 0.228 0.000 2.928 67 C HA 0.359 4.818 4.460 -0.001 0.000 0.396 67 C C -0.661 174.210 174.990 -0.199 0.000 1.052 67 C CA -1.164 57.904 59.018 0.083 0.000 1.251 67 C CB 0.487 28.304 27.740 0.128 0.000 1.684 67 C HN 0.884 nan 8.230 nan 0.000 0.501 68 K N 3.521 123.681 120.400 -0.401 0.000 2.172 68 K HA 0.734 5.054 4.320 -0.001 0.000 0.276 68 K C 0.018 176.401 176.600 -0.362 0.000 1.013 68 K CA 0.198 55.977 56.287 -0.846 0.000 0.913 68 K CB 1.219 33.285 32.500 -0.723 0.000 1.055 68 K HN 1.072 nan 8.250 nan 0.000 0.461 69 G N 2.729 111.331 108.800 -0.330 0.000 2.657 69 G HA2 0.099 4.058 3.960 -0.001 0.000 0.303 69 G HA3 0.099 4.058 3.960 -0.001 0.000 0.303 69 G C -2.013 172.928 174.900 0.067 0.000 1.457 69 G CA -0.809 44.278 45.100 -0.023 0.000 0.982 69 G HN 0.655 nan 8.290 nan 0.000 0.583 70 D N 1.209 121.618 120.400 0.014 0.000 2.264 70 D HA 0.394 5.033 4.640 -0.001 0.000 0.250 70 D C 1.185 177.524 176.300 0.065 0.000 1.113 70 D CA -0.415 53.597 54.000 0.020 0.000 0.871 70 D CB 1.128 41.929 40.800 0.000 0.000 1.167 70 D HN 0.177 nan 8.370 nan 0.000 0.447 71 L N 2.263 123.529 121.223 0.071 0.000 2.741 71 L HA 0.227 4.566 4.340 -0.001 0.000 0.237 71 L C 0.446 177.358 176.870 0.069 0.000 1.178 71 L CA -0.296 54.582 54.840 0.063 0.000 0.973 71 L CB -0.047 42.031 42.059 0.032 0.000 1.255 71 L HN 0.239 nan 8.230 nan 0.000 0.498 72 S N 0.713 116.460 115.700 0.077 0.000 2.593 72 S HA 0.334 4.803 4.470 -0.001 0.000 0.269 72 S C 0.333 174.989 174.600 0.093 0.000 1.334 72 S CA -0.556 57.697 58.200 0.090 0.000 1.015 72 S CB 0.996 64.252 63.200 0.094 0.000 0.912 72 S HN 0.138 nan 8.310 nan 0.000 0.541 73 L N 2.296 123.578 121.223 0.099 0.000 2.490 73 L HA 0.256 4.595 4.340 -0.001 0.000 0.274 73 L C 0.667 177.593 176.870 0.092 0.000 1.201 73 L CA 0.367 55.266 54.840 0.098 0.000 0.869 73 L CB 0.365 42.475 42.059 0.086 0.000 1.123 73 L HN 0.587 nan 8.230 nan 0.000 0.484 74 S N -0.079 115.682 115.700 0.100 0.000 2.656 74 S HA 0.181 4.650 4.470 -0.001 0.000 0.265 74 S C 0.393 175.039 174.600 0.077 0.000 1.132 74 S CA -0.493 57.754 58.200 0.079 0.000 0.819 74 S CB 1.653 64.895 63.200 0.071 0.000 1.119 74 S HN 0.561 nan 8.310 nan 0.000 0.476 75 S N 0.656 116.387 115.700 0.052 0.000 2.489 75 S HA 0.022 4.491 4.470 -0.001 0.000 0.228 75 S C 1.310 175.926 174.600 0.026 0.000 0.995 75 S CA 0.830 59.051 58.200 0.035 0.000 0.934 75 S CB -0.015 63.199 63.200 0.023 0.000 0.771 75 S HN 0.520 nan 8.310 nan 0.000 0.522 76 S N 1.417 117.139 115.700 0.036 0.000 2.503 76 S HA 0.197 4.666 4.470 -0.001 0.000 0.215 76 S C 1.549 176.174 174.600 0.041 0.000 1.003 76 S CA -0.199 58.017 58.200 0.027 0.000 0.910 76 S CB -0.184 63.033 63.200 0.029 0.000 0.790 76 S HN 0.278 nan 8.310 nan 0.000 0.514 77 L N 2.414 123.687 121.223 0.084 0.000 2.010 77 L HA -0.152 4.188 4.340 -0.001 0.000 0.219 77 L C 2.071 179.020 176.870 0.132 0.000 1.077 77 L CA 1.688 56.617 54.840 0.148 0.000 0.773 77 L CB -0.956 41.253 42.059 0.251 0.000 0.892 77 L HN 0.318 nan 8.230 nan 0.000 0.436 78 L N -0.423 120.794 121.223 -0.010 0.000 2.013 78 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 78 L C 2.201 178.993 176.870 -0.131 0.000 1.073 78 L CA 2.183 56.845 54.840 -0.296 0.000 0.753 78 L CB -1.091 40.665 42.059 -0.505 0.000 0.890 78 L HN 0.402 nan 8.230 nan 0.000 0.432 79 D N -1.246 119.111 120.400 -0.072 0.000 2.117 79 D HA -0.225 4.414 4.640 -0.001 0.000 0.198 79 D C 2.345 178.646 176.300 0.001 0.000 0.982 79 D CA 1.534 55.512 54.000 -0.037 0.000 0.828 79 D CB -0.616 40.170 40.800 -0.025 0.000 0.967 79 D HN 0.553 nan 8.370 nan 0.000 0.464 80 C N 0.758 120.072 119.300 0.023 0.000 2.398 80 C HA -0.203 4.256 4.460 -0.001 0.000 0.276 80 C C 3.142 178.165 174.990 0.055 0.000 1.222 80 C CA 0.801 59.844 59.018 0.042 0.000 1.746 80 C CB -1.136 26.637 27.740 0.055 0.000 2.039 80 C HN 0.417 nan 8.230 nan 0.000 0.470 81 C N 0.442 119.787 119.300 0.075 0.000 2.422 81 C HA -0.066 4.393 4.460 -0.001 0.000 0.279 81 C C 2.601 177.640 174.990 0.081 0.000 1.305 81 C CA 0.905 59.979 59.018 0.094 0.000 1.757 81 C CB -1.307 26.542 27.740 0.181 0.000 1.962 81 C HN 0.642 nan 8.230 nan 0.000 0.499 82 E N 1.102 121.331 120.200 0.048 0.000 2.072 82 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 82 E C 1.681 178.319 176.600 0.064 0.000 0.985 82 E CA 1.239 57.666 56.400 0.045 0.000 0.801 82 E CB -0.503 29.198 29.700 0.002 0.000 0.750 82 E HN 0.642 nan 8.360 nan 0.000 0.452 83 D N 0.876 121.308 120.400 0.053 0.000 2.144 83 D HA -0.121 4.518 4.640 -0.001 0.000 0.200 83 D C 1.969 178.318 176.300 0.081 0.000 0.978 83 D CA 0.271 54.306 54.000 0.058 0.000 0.833 83 D CB -0.166 40.659 40.800 0.041 0.000 0.961 83 D HN 0.117 nan 8.370 nan 0.000 0.470 84 I N 1.367 121.986 120.570 0.083 0.000 2.226 84 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 84 I C 1.859 178.048 176.117 0.119 0.000 1.100 84 I CA 0.969 62.325 61.300 0.095 0.000 1.374 84 I CB -0.219 37.818 38.000 0.062 0.000 1.057 84 I HN -0.106 nan 8.210 nan 0.000 0.413 85 I N 0.723 121.380 120.570 0.145 0.000 2.286 85 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 85 I C 2.317 178.598 176.117 0.274 0.000 1.104 85 I CA 1.393 62.821 61.300 0.213 0.000 1.397 85 I CB -1.587 36.567 38.000 0.257 0.000 1.072 85 I HN 0.225 nan 8.210 nan 0.000 0.417 86 D N 0.273 120.812 120.400 0.232 0.000 2.182 86 D HA -0.229 4.411 4.640 -0.001 0.000 0.201 86 D C 2.450 178.868 176.300 0.196 0.000 0.986 86 D CA 1.130 55.275 54.000 0.240 0.000 0.847 86 D CB -0.024 40.846 40.800 0.118 0.000 0.942 86 D HN 0.325 nan 8.370 nan 0.000 0.467 87 C N -0.648 118.727 119.300 0.125 0.000 2.413 87 C HA -0.129 4.330 4.460 -0.001 0.000 0.276 87 C C 2.911 177.914 174.990 0.022 0.000 1.248 87 C CA 1.674 60.730 59.018 0.062 0.000 1.742 87 C CB -1.510 26.269 27.740 0.064 0.000 2.017 87 C HN 0.430 nan 8.230 nan 0.000 0.481 88 S N -1.026 114.707 115.700 0.056 0.000 2.382 88 S HA -0.104 4.365 4.470 -0.001 0.000 0.228 88 S C 1.547 176.110 174.600 -0.063 0.000 1.027 88 S CA 1.635 59.853 58.200 0.030 0.000 0.991 88 S CB -0.485 62.714 63.200 -0.002 0.000 0.823 88 S HN 0.630 nan 8.310 nan 0.000 0.469 89 F N 1.757 121.749 119.950 0.070 0.000 2.163 89 F HA 0.164 4.691 4.527 -0.000 0.000 0.297 89 F C 2.639 178.438 175.800 -0.002 0.000 1.094 89 F CA 0.739 58.767 58.000 0.047 0.000 1.290 89 F CB -0.359 38.655 39.000 0.023 0.000 1.017 89 F HN 0.046 nan 8.300 nan 0.000 0.483 90 R N 0.391 120.973 120.500 0.137 0.000 2.080 90 R HA -0.120 4.219 4.340 -0.001 0.000 0.236 90 R C 2.332 178.588 176.300 -0.073 0.000 1.137 90 R CA 1.526 57.645 56.100 0.032 0.000 0.943 90 R CB -1.503 28.799 30.300 0.005 0.000 0.846 90 R HN 0.307 nan 8.270 nan 0.000 0.431 91 A N -0.554 122.120 122.820 -0.243 0.000 1.970 91 A HA -0.007 4.312 4.320 -0.001 0.000 0.216 91 A C 1.242 178.464 177.584 -0.604 0.000 1.170 91 A CA 0.974 52.680 52.037 -0.551 0.000 0.645 91 A CB -0.073 18.343 19.000 -0.972 0.000 0.816 91 A HN 0.269 nan 8.150 nan 0.000 0.447 92 F N -2.070 117.892 119.950 0.020 0.000 2.817 92 F HA 0.394 4.920 4.527 -0.002 0.000 0.333 92 F C 1.652 177.461 175.800 0.015 0.000 1.085 92 F CA -0.240 57.762 58.000 0.004 0.000 1.170 92 F CB -0.064 38.921 39.000 -0.025 0.000 1.066 92 F HN 0.275 nan 8.300 nan 0.000 0.564 93 G N 1.845 110.760 108.800 0.190 0.000 2.168 93 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.257 93 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.257 93 G C 0.221 175.284 174.900 0.272 0.000 0.997 93 G CA 0.552 45.796 45.100 0.240 0.000 0.708 93 G HN 0.641 nan 8.290 nan 0.000 0.520 94 R N -2.975 117.529 120.500 0.007 0.000 2.774 94 R HA 0.653 4.992 4.340 -0.001 0.000 0.279 94 R C -1.391 174.519 176.300 -0.649 0.000 1.022 94 R CA -0.516 55.434 56.100 -0.250 0.000 0.855 94 R CB 0.502 30.805 30.300 0.005 0.000 1.279 94 R HN 0.787 nan 8.270 nan 0.000 0.485 95 C N 1.716 120.674 119.300 -0.570 0.000 2.789 95 C HA 0.419 4.879 4.460 -0.001 0.000 0.367 95 C C -0.640 174.358 174.990 0.013 0.000 1.062 95 C CA -0.349 58.487 59.018 -0.305 0.000 1.297 95 C CB 0.591 28.043 27.740 -0.479 0.000 1.794 95 C HN 1.022 nan 8.230 nan 0.000 0.474 96 D N 2.098 122.608 120.400 0.183 0.000 2.380 96 D HA 0.240 4.879 4.640 -0.001 0.000 0.212 96 D C 0.002 176.533 176.300 0.385 0.000 1.021 96 D CA 0.554 54.734 54.000 0.301 0.000 0.884 96 D CB 0.587 41.544 40.800 0.262 0.000 1.001 96 D HN 0.344 nan 8.370 nan 0.000 0.506 97 V N 1.339 121.390 119.914 0.228 0.000 2.686 97 V HA 0.402 4.521 4.120 -0.001 0.000 0.306 97 V C -1.490 174.520 176.094 -0.140 0.000 1.065 97 V CA -1.012 61.258 62.300 -0.050 0.000 0.894 97 V CB 2.603 34.261 31.823 -0.275 0.000 1.004 97 V HN -0.029 nan 8.190 nan 0.000 0.424 98 L N 6.375 127.381 121.223 -0.361 0.000 2.325 98 L HA 0.775 5.114 4.340 -0.001 0.000 0.281 98 L C -0.868 175.852 176.870 -0.250 0.000 1.004 98 L CA -0.061 54.593 54.840 -0.309 0.000 0.823 98 L CB 1.827 43.588 42.059 -0.496 0.000 1.236 98 L HN 0.426 nan 8.230 nan 0.000 0.415 99 V N 5.127 124.941 119.914 -0.166 0.000 2.313 99 V HA 0.421 4.540 4.120 -0.001 0.000 0.278 99 V C -0.124 175.909 176.094 -0.102 0.000 1.017 99 V CA -0.663 61.556 62.300 -0.135 0.000 0.823 99 V CB 1.060 32.814 31.823 -0.116 0.000 1.010 99 V HN 0.710 nan 8.190 nan 0.000 0.443 100 N N 3.956 122.594 118.700 -0.105 0.000 2.663 100 N HA 0.084 4.823 4.740 -0.001 0.000 0.250 100 N C 0.847 176.321 175.510 -0.061 0.000 1.129 100 N CA 0.131 53.130 53.050 -0.086 0.000 0.995 100 N CB 0.671 39.102 38.487 -0.092 0.000 1.324 100 N HN 0.768 nan 8.380 nan 0.000 0.512 101 N N 1.256 119.934 118.700 -0.038 0.000 2.432 101 N HA 0.037 4.776 4.740 -0.001 0.000 0.174 101 N C 0.282 175.800 175.510 0.013 0.000 1.037 101 N CA -0.127 52.916 53.050 -0.012 0.000 0.892 101 N CB 0.249 38.739 38.487 0.006 0.000 1.049 101 N HN 0.361 nan 8.380 nan 0.000 0.442 102 A N 0.311 123.146 122.820 0.025 0.000 2.567 102 A HA 0.358 4.677 4.320 -0.001 0.000 0.240 102 A C 0.035 177.645 177.584 0.043 0.000 1.053 102 A CA 0.562 52.635 52.037 0.059 0.000 0.755 102 A CB -0.245 18.794 19.000 0.064 0.000 0.978 102 A HN 0.340 nan 8.150 nan 0.000 0.507 103 S N 1.477 117.220 115.700 0.071 0.000 2.590 103 S HA 0.565 5.035 4.470 -0.001 0.000 0.286 103 S C -0.522 174.153 174.600 0.125 0.000 1.147 103 S CA 0.025 58.275 58.200 0.084 0.000 0.963 103 S CB 0.557 63.805 63.200 0.080 0.000 1.124 103 S HN 2.077 nan 8.310 nan 0.000 0.458 104 A N 3.517 126.408 122.820 0.120 0.000 2.340 104 A HA 0.728 5.047 4.320 -0.001 0.000 0.268 104 A C -1.014 176.638 177.584 0.113 0.000 1.100 104 A CA -0.280 51.825 52.037 0.113 0.000 0.803 104 A CB 0.366 19.405 19.000 0.065 0.000 1.043 104 A HN 1.377 nan 8.150 nan 0.000 0.488 105 Y N 2.566 122.788 120.300 -0.129 0.000 2.307 105 Y HA 0.528 5.077 4.550 -0.001 0.000 0.323 105 Y C -1.551 174.295 175.900 -0.091 0.000 1.100 105 Y CA -0.961 57.006 58.100 -0.222 0.000 1.140 105 Y CB 1.187 39.538 38.460 -0.183 0.000 1.159 105 Y HN 0.910 nan 8.280 nan 0.000 0.436 106 Y N 4.314 124.432 120.300 -0.304 0.000 2.687 106 Y HA 0.650 5.199 4.550 -0.001 0.000 0.338 106 Y C -3.345 172.047 175.900 -0.846 0.000 1.189 106 Y CA -3.025 54.800 58.100 -0.458 0.000 1.097 106 Y CB 0.403 38.727 38.460 -0.226 0.000 1.342 106 Y HN 0.332 nan 8.280 nan 0.000 0.461 107 P HA 0.237 nan 4.420 nan 0.000 0.272 107 P C -0.274 176.831 177.300 -0.324 0.000 1.223 107 P CA 0.050 62.513 63.100 -1.062 0.000 0.784 107 P CB 1.270 32.417 31.700 -0.922 0.000 0.923 108 T N -1.777 112.628 114.554 -0.248 0.000 3.631 108 T HA 0.286 4.635 4.350 -0.001 0.000 0.256 108 T C -2.480 172.184 174.700 -0.060 0.000 1.187 108 T CA -1.742 60.314 62.100 -0.072 0.000 1.667 108 T CB -0.149 68.722 68.868 0.004 0.000 0.804 108 T HN 0.256 nan 8.240 nan 0.000 0.639 109 P HA 0.152 nan 4.420 nan 0.000 0.263 109 P C 1.157 178.451 177.300 -0.010 0.000 1.195 109 P CA -0.367 62.711 63.100 -0.036 0.000 0.762 109 P CB 1.241 32.917 31.700 -0.041 0.000 0.799 110 L N 2.055 123.281 121.223 0.005 0.000 2.042 110 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 110 L C 1.221 178.095 176.870 0.007 0.000 1.076 110 L CA 1.134 55.981 54.840 0.011 0.000 0.749 110 L CB -0.364 41.705 42.059 0.017 0.000 0.893 110 L HN 0.363 nan 8.230 nan 0.000 0.432 111 L N 0.531 121.756 121.223 0.004 0.000 2.309 111 L HA 0.364 4.703 4.340 -0.001 0.000 0.282 111 L C -1.477 175.391 176.870 -0.003 0.000 1.036 111 L CA -1.635 53.206 54.840 0.002 0.000 0.806 111 L CB 0.225 42.287 42.059 0.004 0.000 1.220 111 L HN -0.010 nan 8.230 nan 0.000 0.429 124 P HA -0.041 nan 4.420 nan 0.000 0.264 124 P C 0.607 177.923 177.300 0.025 0.000 1.179 124 P CA -0.274 62.830 63.100 0.006 0.000 0.763 124 P CB 0.427 32.135 31.700 0.013 0.000 0.806 125 I N 2.559 123.148 120.570 0.031 0.000 2.208 125 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 125 I C 1.404 177.566 176.117 0.075 0.000 1.097 125 I CA 1.845 63.177 61.300 0.053 0.000 1.363 125 I CB -0.410 37.616 38.000 0.044 0.000 1.051 125 I HN 0.316 nan 8.210 nan 0.000 0.413 126 D N 0.802 121.237 120.400 0.058 0.000 2.149 126 D HA -0.168 4.472 4.640 -0.001 0.000 0.198 126 D C 2.163 178.511 176.300 0.080 0.000 0.990 126 D CA 1.602 55.640 54.000 0.063 0.000 0.839 126 D CB -0.239 40.586 40.800 0.042 0.000 0.948 126 D HN 0.532 nan 8.370 nan 0.000 0.460 127 A N 0.696 123.561 122.820 0.074 0.000 2.014 127 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 127 A C 2.125 179.789 177.584 0.133 0.000 1.163 127 A CA 0.914 53.003 52.037 0.086 0.000 0.652 127 A CB -0.335 18.700 19.000 0.059 0.000 0.808 127 A HN 0.185 nan 8.150 nan 0.000 0.449 128 Q N -0.242 119.648 119.800 0.150 0.000 2.083 128 Q HA -0.098 4.241 4.340 -0.001 0.000 0.198 128 Q C 2.197 178.337 176.000 0.234 0.000 0.969 128 Q CA 1.774 57.729 55.803 0.253 0.000 0.838 128 Q CB -0.456 28.435 28.738 0.256 0.000 0.900 128 Q HN 0.719 nan 8.270 nan 0.000 0.436 129 V N -1.921 118.117 119.914 0.208 0.000 2.548 129 V HA -0.058 4.061 4.120 -0.001 0.000 0.249 129 V C 2.114 178.381 176.094 0.288 0.000 1.055 129 V CA 1.532 64.008 62.300 0.292 0.000 1.065 129 V CB -0.943 31.048 31.823 0.280 0.000 0.681 129 V HN 0.243 nan 8.190 nan 0.000 0.462 130 A N 0.438 123.372 122.820 0.190 0.000 1.898 130 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 130 A C 2.337 180.018 177.584 0.160 0.000 1.181 130 A CA 1.950 54.081 52.037 0.156 0.000 0.620 130 A CB -0.583 18.485 19.000 0.114 0.000 0.819 130 A HN 0.726 nan 8.150 nan 0.000 0.442 131 E N -0.341 119.961 120.200 0.169 0.000 2.076 131 E HA -0.060 4.289 4.350 -0.001 0.000 0.190 131 E C 1.938 178.605 176.600 0.112 0.000 0.979 131 E CA 0.667 57.163 56.400 0.160 0.000 0.807 131 E CB -0.147 29.689 29.700 0.227 0.000 0.761 131 E HN 0.598 nan 8.360 nan 0.000 0.454 132 L N -0.240 121.027 121.223 0.073 0.000 2.072 132 L HA -0.092 4.247 4.340 -0.001 0.000 0.205 132 L C 2.241 179.052 176.870 -0.099 0.000 1.079 132 L CA 0.822 55.624 54.840 -0.064 0.000 0.752 132 L CB -0.287 41.670 42.059 -0.170 0.000 0.906 132 L HN 0.173 nan 8.230 nan 0.000 0.436 133 F N 0.045 119.996 119.950 0.002 0.000 2.293 133 F HA -0.017 4.510 4.527 -0.001 0.000 0.297 133 F C 2.360 178.133 175.800 -0.045 0.000 1.089 133 F CA 1.098 59.082 58.000 -0.027 0.000 1.377 133 F CB -0.843 38.143 39.000 -0.022 0.000 1.051 133 F HN -0.024 nan 8.300 nan 0.000 0.511 134 G N -0.465 108.428 108.800 0.155 0.000 2.434 134 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.214 134 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.214 134 G C 1.841 176.756 174.900 0.024 0.000 1.202 134 G CA 1.176 46.319 45.100 0.072 0.000 0.788 134 G HN 0.416 nan 8.290 nan 0.000 0.539 135 S N 0.692 116.412 115.700 0.033 0.000 2.383 135 S HA -0.064 4.405 4.470 -0.001 0.000 0.227 135 S C 1.991 176.582 174.600 -0.016 0.000 1.026 135 S CA 1.344 59.554 58.200 0.016 0.000 0.981 135 S CB -0.361 62.867 63.200 0.047 0.000 0.818 135 S HN 0.353 nan 8.310 nan 0.000 0.472 136 N N 1.438 120.117 118.700 -0.036 0.000 2.416 136 N HA 0.262 5.001 4.740 -0.001 0.000 0.177 136 N C 1.352 176.811 175.510 -0.085 0.000 1.036 136 N CA 1.114 54.116 53.050 -0.080 0.000 0.901 136 N CB 0.177 38.570 38.487 -0.157 0.000 0.976 136 N HN 0.658 nan 8.380 nan 0.000 0.444 137 A N -0.311 122.478 122.820 -0.051 0.000 1.786 137 A HA 0.179 4.499 4.320 -0.001 0.000 0.208 137 A C 2.026 179.548 177.584 -0.103 0.000 1.787 137 A CA -0.010 52.002 52.037 -0.041 0.000 1.125 137 A CB -0.233 18.801 19.000 0.057 0.000 1.082 137 A HN -0.042 nan 8.150 nan 0.000 0.534 138 V N 1.197 121.034 119.914 -0.129 0.000 2.295 138 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 138 V C 3.024 178.813 176.094 -0.508 0.000 1.049 138 V CA 2.279 64.352 62.300 -0.379 0.000 1.024 138 V CB -1.297 30.314 31.823 -0.353 0.000 0.648 138 V HN 0.601 nan 8.190 nan 0.000 0.447 139 A N 0.574 123.252 122.820 -0.238 0.000 1.865 139 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 139 A C 0.619 178.149 177.584 -0.090 0.000 1.191 139 A CA 2.178 54.149 52.037 -0.111 0.000 0.623 139 A CB -2.000 16.977 19.000 -0.038 0.000 0.826 139 A HN 0.508 nan 8.150 nan 0.000 0.444 140 P HA -0.190 nan 4.420 nan 0.000 0.216 140 P C 1.736 179.003 177.300 -0.055 0.000 1.154 140 P CA 1.330 64.385 63.100 -0.074 0.000 0.865 140 P CB -0.118 31.532 31.700 -0.083 0.000 0.789 141 L N -1.674 119.483 121.223 -0.111 0.000 1.989 141 L HA -0.172 4.167 4.340 -0.001 0.000 0.211 141 L C 2.115 179.039 176.870 0.089 0.000 1.071 141 L CA 2.110 56.908 54.840 -0.070 0.000 0.749 141 L CB -1.415 40.534 42.059 -0.184 0.000 0.890 141 L HN -0.152 nan 8.230 nan 0.000 0.431 142 F N -0.899 119.063 119.950 0.019 0.000 2.171 142 F HA -0.155 4.372 4.527 -0.001 0.000 0.300 142 F C 2.256 178.079 175.800 0.039 0.000 1.090 142 F CA 0.682 58.697 58.000 0.026 0.000 1.293 142 F CB -1.187 37.826 39.000 0.020 0.000 1.013 142 F HN 0.105 nan 8.300 nan 0.000 0.486 143 L N -0.041 121.307 121.223 0.207 0.000 2.027 143 L HA -0.167 4.173 4.340 -0.001 0.000 0.206 143 L C 2.445 179.411 176.870 0.160 0.000 1.074 143 L CA 1.458 56.383 54.840 0.142 0.000 0.745 143 L CB -1.250 40.840 42.059 0.051 0.000 0.898 143 L HN 0.073 nan 8.230 nan 0.000 0.433 144 I N -1.073 119.561 120.570 0.106 0.000 2.179 144 I HA -0.341 3.828 4.170 -0.001 0.000 0.242 144 I C 2.727 178.962 176.117 0.197 0.000 1.088 144 I CA 1.120 62.485 61.300 0.108 0.000 1.357 144 I CB -0.302 37.717 38.000 0.033 0.000 1.051 144 I HN 0.263 nan 8.210 nan 0.000 0.409 145 R N 1.143 121.746 120.500 0.173 0.000 2.080 145 R HA -0.212 4.127 4.340 -0.001 0.000 0.236 145 R C 2.401 178.794 176.300 0.156 0.000 1.137 145 R CA 1.915 58.112 56.100 0.160 0.000 0.943 145 R CB -0.329 30.075 30.300 0.173 0.000 0.846 145 R HN 0.373 nan 8.270 nan 0.000 0.431 146 A N 0.122 123.043 122.820 0.168 0.000 1.902 146 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 146 A C 2.042 179.739 177.584 0.188 0.000 1.181 146 A CA 1.400 53.523 52.037 0.144 0.000 0.623 146 A CB -0.839 18.247 19.000 0.143 0.000 0.818 146 A HN 0.555 nan 8.150 nan 0.000 0.443 147 F N 1.020 121.035 119.950 0.109 0.000 2.095 147 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 147 F C 2.479 178.354 175.800 0.124 0.000 1.104 147 F CA 1.427 59.508 58.000 0.135 0.000 1.232 147 F CB -0.381 38.674 39.000 0.091 0.000 0.987 147 F HN 0.251 nan 8.300 nan 0.000 0.475 148 A N 0.713 123.694 122.820 0.267 0.000 1.873 148 A HA -0.154 4.166 4.320 -0.001 0.000 0.215 148 A C 2.270 179.867 177.584 0.022 0.000 1.186 148 A CA 1.564 53.685 52.037 0.140 0.000 0.616 148 A CB -0.741 18.365 19.000 0.175 0.000 0.823 148 A HN 0.456 nan 8.150 nan 0.000 0.442 149 R N -0.683 119.834 120.500 0.029 0.000 2.241 149 R HA -0.017 4.323 4.340 -0.001 0.000 0.224 149 R C 1.695 177.953 176.300 -0.069 0.000 1.101 149 R CA 1.050 57.142 56.100 -0.013 0.000 0.995 149 R CB -0.167 30.131 30.300 -0.004 0.000 0.870 149 R HN 0.428 nan 8.270 nan 0.000 0.463 150 R N 0.054 120.493 120.500 -0.103 0.000 2.334 150 R HA 0.086 4.425 4.340 -0.001 0.000 0.216 150 R C 0.328 176.503 176.300 -0.208 0.000 0.905 150 R CA 0.030 55.993 56.100 -0.227 0.000 1.064 150 R CB 0.371 30.468 30.300 -0.338 0.000 1.046 150 R HN 0.127 nan 8.270 nan 0.000 0.508 162 L N 1.388 122.702 121.223 0.151 0.000 2.349 162 L HA 0.689 5.028 4.340 -0.001 0.000 0.275 162 L C 0.517 177.485 176.870 0.163 0.000 1.115 162 L CA -0.349 54.631 54.840 0.232 0.000 0.820 162 L CB 1.211 43.450 42.059 0.299 0.000 1.135 162 L HN 0.596 nan 8.230 nan 0.000 0.445 163 S N 1.665 117.424 115.700 0.098 0.000 2.547 163 S HA 0.718 5.187 4.470 -0.001 0.000 0.270 163 S C -1.117 173.350 174.600 -0.223 0.000 1.150 163 S CA -0.867 57.306 58.200 -0.045 0.000 0.850 163 S CB 1.863 65.035 63.200 -0.047 0.000 1.118 163 S HN 0.193 nan 8.310 nan 0.000 0.461 164 V N 1.521 121.289 119.914 -0.243 0.000 2.555 164 V HA 0.762 4.881 4.120 -0.001 0.000 0.302 164 V C -0.784 175.194 176.094 -0.193 0.000 1.038 164 V CA -0.633 61.481 62.300 -0.311 0.000 0.887 164 V CB 1.713 33.344 31.823 -0.320 0.000 0.991 164 V HN 0.876 nan 8.190 nan 0.000 0.434 165 V N 3.960 123.765 119.914 -0.182 0.000 2.525 165 V HA 0.505 4.625 4.120 -0.001 0.000 0.299 165 V C -0.546 175.479 176.094 -0.115 0.000 1.034 165 V CA -0.825 61.398 62.300 -0.127 0.000 0.863 165 V CB 1.925 33.680 31.823 -0.113 0.000 0.999 165 V HN 0.854 nan 8.190 nan 0.000 0.423 166 N N 3.997 122.639 118.700 -0.096 0.000 2.443 166 N HA 0.490 5.229 4.740 -0.001 0.000 0.295 166 N C -0.970 174.497 175.510 -0.073 0.000 1.076 166 N CA -0.596 52.402 53.050 -0.087 0.000 0.919 166 N CB 2.265 40.701 38.487 -0.086 0.000 1.176 166 N HN 0.406 nan 8.380 nan 0.000 0.487 167 L N 2.087 123.270 121.223 -0.067 0.000 2.261 167 L HA 0.309 4.648 4.340 -0.001 0.000 0.289 167 L C 0.601 177.430 176.870 -0.067 0.000 1.059 167 L CA -0.178 54.628 54.840 -0.057 0.000 0.816 167 L CB 0.154 42.187 42.059 -0.044 0.000 1.191 167 L HN 0.523 nan 8.230 nan 0.000 0.431 168 C N 2.583 121.839 119.300 -0.072 0.000 2.536 168 C HA 0.520 4.979 4.460 -0.001 0.000 0.385 168 C C 0.341 175.284 174.990 -0.078 0.000 2.253 168 C CA -0.350 58.612 59.018 -0.094 0.000 1.823 168 C CB 1.879 29.556 27.740 -0.104 0.000 2.000 168 C HN 0.779 nan 8.230 nan 0.000 0.444 169 D N -0.349 119.996 120.400 -0.091 0.000 2.602 169 D HA 0.505 5.144 4.640 -0.001 0.000 0.245 169 D C -0.291 175.970 176.300 -0.065 0.000 1.325 169 D CA -0.062 53.906 54.000 -0.054 0.000 0.952 169 D CB 1.394 42.196 40.800 0.004 0.000 1.317 169 D HN 0.739 nan 8.370 nan 0.000 0.577 173 D N 1.252 121.693 120.400 0.070 0.000 2.347 173 D HA 0.214 4.853 4.640 -0.001 0.000 0.213 173 D C 0.562 176.909 176.300 0.077 0.000 0.985 173 D CA 0.583 54.640 54.000 0.096 0.000 0.879 173 D CB 0.566 41.390 40.800 0.040 0.000 0.919 173 D HN 0.463 nan 8.370 nan 0.000 0.526 174 L N 2.048 123.306 121.223 0.059 0.000 2.709 174 L HA 0.295 4.634 4.340 -0.001 0.000 0.236 174 L C -2.368 174.536 176.870 0.056 0.000 1.266 174 L CA -1.592 53.274 54.840 0.043 0.000 0.987 174 L CB 1.052 43.122 42.059 0.018 0.000 1.306 174 L HN -0.371 nan 8.230 nan 0.000 0.467 175 P HA -0.174 nan 4.420 nan 0.000 0.258 175 P C -0.329 177.026 177.300 0.092 0.000 1.136 175 P CA 0.127 63.289 63.100 0.103 0.000 0.761 175 P CB 0.259 32.010 31.700 0.086 0.000 0.724 176 L N 7.858 129.144 121.223 0.104 0.000 2.369 176 L HA 0.297 4.637 4.340 -0.001 0.000 0.279 176 L C -2.124 174.860 176.870 0.189 0.000 1.108 176 L CA -2.122 52.758 54.840 0.065 0.000 0.852 176 L CB -0.207 41.780 42.059 -0.121 0.000 1.169 176 L HN 0.266 nan 8.230 nan 0.000 0.452 177 P HA 0.178 nan 4.420 nan 0.000 0.258 177 P C 0.668 178.107 177.300 0.231 0.000 1.172 177 P CA 1.115 64.308 63.100 0.154 0.000 0.762 177 P CB 0.411 32.171 31.700 0.100 0.000 0.764 178 G N 2.226 111.126 108.800 0.168 0.000 2.213 178 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.226 178 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.226 178 G C 0.280 175.155 174.900 -0.042 0.000 0.992 178 G CA -0.512 44.627 45.100 0.064 0.000 0.632 178 G HN 0.431 nan 8.290 nan 0.000 0.511 179 F N 1.123 121.083 119.950 0.016 0.000 2.925 179 F HA 0.443 4.969 4.527 -0.001 0.000 0.302 179 F C 2.047 177.902 175.800 0.092 0.000 1.189 179 F CA -0.300 57.717 58.000 0.028 0.000 1.346 179 F CB -0.330 38.678 39.000 0.014 0.000 0.954 179 F HN 0.237 nan 8.300 nan 0.000 0.506 180 C N -0.295 119.100 119.300 0.158 0.000 2.393 180 C HA -0.175 4.284 4.460 -0.001 0.000 0.276 180 C C 2.737 177.775 174.990 0.080 0.000 1.215 180 C CA 1.651 60.735 59.018 0.111 0.000 1.743 180 C CB -0.674 27.108 27.740 0.070 0.000 2.044 180 C HN 0.429 nan 8.230 nan 0.000 0.464 181 V N -0.273 119.674 119.914 0.056 0.000 2.358 181 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 181 V C 2.045 178.036 176.094 -0.171 0.000 1.047 181 V CA 2.333 64.623 62.300 -0.017 0.000 1.035 181 V CB -1.132 30.707 31.823 0.027 0.000 0.658 181 V HN 0.714 nan 8.190 nan 0.000 0.452 182 Y N 1.685 121.899 120.300 -0.145 0.000 2.128 182 Y HA -0.181 4.368 4.550 -0.001 0.000 0.284 182 Y C 1.738 177.599 175.900 -0.064 0.000 1.154 182 Y CA 1.613 59.645 58.100 -0.113 0.000 1.149 182 Y CB -0.746 37.768 38.460 0.089 0.000 0.976 182 Y HN 0.248 nan 8.280 nan 0.000 0.505 186 K N 0.828 121.007 120.400 -0.368 0.000 2.097 186 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 186 K C 1.608 178.101 176.600 -0.178 0.000 1.049 186 K CA 1.635 57.737 56.287 -0.308 0.000 0.933 186 K CB -0.554 31.681 32.500 -0.442 0.000 0.717 186 K HN 0.745 nan 8.250 nan 0.000 0.442 187 H N 0.158 119.137 119.070 -0.151 0.000 2.387 187 H HA -0.030 4.525 4.556 -0.001 0.000 0.299 187 H C 1.927 177.226 175.328 -0.048 0.000 1.090 187 H CA 1.297 57.300 56.048 -0.076 0.000 1.332 187 H CB 0.211 29.946 29.762 -0.045 0.000 1.386 187 H HN 0.195 nan 8.280 nan 0.000 0.516 188 A N 1.194 124.071 122.820 0.094 0.000 1.902 188 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 188 A C 2.441 180.028 177.584 0.005 0.000 1.181 188 A CA 1.225 53.305 52.037 0.072 0.000 0.623 188 A CB -0.729 18.353 19.000 0.137 0.000 0.818 188 A HN 0.289 nan 8.150 nan 0.000 0.443 189 L N 0.117 121.314 121.223 -0.043 0.000 2.083 189 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 189 L C 2.346 179.173 176.870 -0.072 0.000 1.083 189 L CA 2.153 56.951 54.840 -0.071 0.000 0.752 189 L CB -0.941 41.054 42.059 -0.106 0.000 0.899 189 L HN 0.304 nan 8.230 nan 0.000 0.433 190 G N -1.237 107.512 108.800 -0.085 0.000 2.402 190 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 190 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 190 G C 1.522 176.394 174.900 -0.047 0.000 1.162 190 G CA 0.497 45.546 45.100 -0.085 0.000 0.777 190 G HN 0.567 nan 8.290 nan 0.000 0.539 191 G N 0.785 109.573 108.800 -0.020 0.000 2.422 191 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.218 191 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.218 191 G C 1.726 176.617 174.900 -0.015 0.000 1.146 191 G CA 0.997 46.093 45.100 -0.006 0.000 0.769 191 G HN 0.405 nan 8.290 nan 0.000 0.547 192 L N 1.106 122.315 121.223 -0.023 0.000 2.093 192 L HA 0.022 4.361 4.340 -0.001 0.000 0.208 192 L C 2.840 179.690 176.870 -0.034 0.000 1.085 192 L CA 2.399 57.223 54.840 -0.027 0.000 0.755 192 L CB -0.905 41.132 42.059 -0.038 0.000 0.904 192 L HN 0.169 nan 8.230 nan 0.000 0.435 193 T N -0.262 114.266 114.554 -0.043 0.000 2.708 193 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 193 T C 1.973 176.648 174.700 -0.040 0.000 1.037 193 T CA 1.759 63.830 62.100 -0.049 0.000 1.146 193 T CB -0.202 68.632 68.868 -0.056 0.000 0.865 193 T HN 0.396 nan 8.240 nan 0.000 0.435 194 R N 0.858 121.338 120.500 -0.034 0.000 2.093 194 R HA 0.207 4.546 4.340 -0.001 0.000 0.224 194 R C 2.846 179.131 176.300 -0.024 0.000 1.101 194 R CA 1.025 57.108 56.100 -0.029 0.000 0.979 194 R CB -0.395 29.891 30.300 -0.024 0.000 0.877 194 R HN 0.352 nan 8.270 nan 0.000 0.441 195 A N 1.568 124.377 122.820 -0.018 0.000 1.873 195 A HA -0.038 4.281 4.320 -0.001 0.000 0.215 195 A C 2.389 179.966 177.584 -0.011 0.000 1.186 195 A CA 1.540 53.569 52.037 -0.012 0.000 0.616 195 A CB -0.544 18.453 19.000 -0.006 0.000 0.823 195 A HN 0.351 nan 8.150 nan 0.000 0.442 196 A N -0.049 122.763 122.820 -0.013 0.000 1.898 196 A HA 0.183 4.502 4.320 -0.001 0.000 0.216 196 A C 2.520 180.096 177.584 -0.015 0.000 1.181 196 A CA 2.062 54.095 52.037 -0.008 0.000 0.620 196 A CB -1.104 17.889 19.000 -0.012 0.000 0.819 196 A HN 1.060 nan 8.150 nan 0.000 0.442 197 A N -0.409 122.394 122.820 -0.028 0.000 1.873 197 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 197 A C 2.174 179.734 177.584 -0.039 0.000 1.193 197 A CA 1.952 53.966 52.037 -0.038 0.000 0.629 197 A CB -0.733 18.239 19.000 -0.048 0.000 0.826 197 A HN 0.655 nan 8.150 nan 0.000 0.447 198 L N -0.146 121.057 121.223 -0.035 0.000 2.027 198 L HA -0.133 4.206 4.340 -0.001 0.000 0.206 198 L C 2.315 179.167 176.870 -0.030 0.000 1.074 198 L CA 2.344 57.163 54.840 -0.035 0.000 0.745 198 L CB -0.630 41.413 42.059 -0.028 0.000 0.898 198 L HN 0.509 nan 8.230 nan 0.000 0.433 199 E N -0.907 119.283 120.200 -0.017 0.000 2.110 199 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 199 E C 1.823 178.417 176.600 -0.010 0.000 0.988 199 E CA 0.979 57.373 56.400 -0.010 0.000 0.804 199 E CB -0.076 29.626 29.700 0.004 0.000 0.745 199 E HN 0.308 nan 8.360 nan 0.000 0.458 200 L N -0.040 121.179 121.223 -0.007 0.000 2.558 200 L HA 0.102 4.441 4.340 -0.001 0.000 0.225 200 L C 1.967 178.817 176.870 -0.033 0.000 1.128 200 L CA 0.473 55.315 54.840 0.002 0.000 0.868 200 L CB -0.516 41.565 42.059 0.036 0.000 1.006 200 L HN -0.009 nan 8.230 nan 0.000 0.454 201 A N 0.772 123.555 122.820 -0.061 0.000 1.908 201 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 201 A C -0.022 177.447 177.584 -0.192 0.000 1.181 201 A CA 1.655 53.628 52.037 -0.106 0.000 0.627 201 A CB -1.682 17.258 19.000 -0.101 0.000 0.818 201 A HN 0.324 nan 8.150 nan 0.000 0.445 202 P HA -0.078 nan 4.420 nan 0.000 0.226 202 P C 0.956 178.103 177.300 -0.255 0.000 1.153 202 P CA 0.724 63.698 63.100 -0.210 0.000 0.777 202 P CB 0.088 31.729 31.700 -0.098 0.000 0.794 203 R N -2.037 118.374 120.500 -0.147 0.000 2.334 203 R HA 0.144 4.483 4.340 -0.001 0.000 0.216 203 R C -0.015 176.331 176.300 0.077 0.000 0.905 203 R CA -0.091 56.003 56.100 -0.010 0.000 1.064 203 R CB -1.133 29.192 30.300 0.041 0.000 1.046 203 R HN 0.334 nan 8.270 nan 0.000 0.508 204 H N -0.491 118.600 119.070 0.034 0.000 2.862 204 H HA -0.127 4.428 4.556 -0.002 0.000 0.290 204 H C -0.488 174.874 175.328 0.056 0.000 1.211 204 H CA 0.701 56.771 56.048 0.036 0.000 1.140 204 H CB -1.774 28.010 29.762 0.036 0.000 1.341 204 H HN 0.172 nan 8.280 nan 0.000 0.392 205 I N 1.148 121.789 120.570 0.119 0.000 2.355 205 I HA 0.274 4.444 4.170 -0.001 0.000 0.288 205 I C 0.563 176.716 176.117 0.060 0.000 0.999 205 I CA -0.518 60.867 61.300 0.140 0.000 1.163 205 I CB 1.341 39.467 38.000 0.211 0.000 1.316 205 I HN 0.098 nan 8.210 nan 0.000 0.454 206 R N 4.657 125.178 120.500 0.035 0.000 2.459 206 R HA 0.656 4.995 4.340 -0.001 0.000 0.281 206 R C -1.008 175.266 176.300 -0.045 0.000 1.050 206 R CA -0.635 55.454 56.100 -0.019 0.000 1.055 206 R CB 1.733 32.014 30.300 -0.031 0.000 1.045 206 R HN 0.336 nan 8.270 nan 0.000 0.495 207 V N 3.612 123.490 119.914 -0.059 0.000 2.462 207 V HA 0.294 4.414 4.120 -0.001 0.000 0.288 207 V C -0.649 175.403 176.094 -0.069 0.000 1.020 207 V CA -0.866 61.389 62.300 -0.074 0.000 0.857 207 V CB 1.259 33.044 31.823 -0.063 0.000 1.013 207 V HN 0.795 nan 8.190 nan 0.000 0.431 208 N N 2.270 120.926 118.700 -0.074 0.000 2.966 208 N HA 0.919 5.658 4.740 -0.001 0.000 0.314 208 N C -0.594 174.880 175.510 -0.059 0.000 1.397 208 N CA -0.482 52.534 53.050 -0.057 0.000 0.776 208 N CB 2.659 41.120 38.487 -0.044 0.000 1.576 208 N HN 0.723 nan 8.380 nan 0.000 0.592 209 A N -0.018 122.776 122.820 -0.044 0.000 2.539 209 A HA 0.673 4.992 4.320 -0.001 0.000 0.296 209 A C -1.316 176.250 177.584 -0.030 0.000 1.073 209 A CA -0.514 51.495 52.037 -0.048 0.000 0.700 209 A CB 1.275 20.240 19.000 -0.058 0.000 1.296 209 A HN 0.270 nan 8.150 nan 0.000 0.405 210 V N 0.722 120.616 119.914 -0.033 0.000 2.495 210 V HA 0.717 4.836 4.120 -0.001 0.000 0.298 210 V C 0.206 176.279 176.094 -0.035 0.000 1.031 210 V CA -0.084 62.203 62.300 -0.021 0.000 0.871 210 V CB 1.629 33.444 31.823 -0.014 0.000 0.988 210 V HN 1.424 nan 8.190 nan 0.000 0.432 211 A N 7.147 129.946 122.820 -0.035 0.000 2.399 211 A HA 0.836 5.155 4.320 -0.001 0.000 0.327 211 A C -2.800 174.761 177.584 -0.038 0.000 1.367 211 A CA -1.622 50.389 52.037 -0.044 0.000 0.842 211 A CB 0.733 19.701 19.000 -0.053 0.000 1.142 211 A HN 0.603 nan 8.150 nan 0.000 0.495 212 P HA 0.353 nan 4.420 nan 0.000 0.274 212 P C 0.934 178.212 177.300 -0.037 0.000 1.246 212 P CA 0.164 63.242 63.100 -0.036 0.000 0.795 212 P CB 1.352 33.027 31.700 -0.040 0.000 1.006 213 G N 0.392 109.173 108.800 -0.031 0.000 2.598 213 G HA2 0.256 4.215 3.960 -0.001 0.000 0.225 213 G HA3 0.256 4.215 3.960 -0.001 0.000 0.225 213 G C -0.739 174.144 174.900 -0.028 0.000 1.631 213 G CA 0.305 45.388 45.100 -0.028 0.000 0.821 213 G HN 0.461 nan 8.290 nan 0.000 0.610 214 L N 1.300 122.514 121.223 -0.015 0.000 2.294 214 L HA 0.760 5.099 4.340 -0.001 0.000 0.283 214 L C -0.062 176.804 176.870 -0.006 0.000 1.015 214 L CA -0.380 54.461 54.840 0.002 0.000 0.831 214 L CB 1.512 43.591 42.059 0.033 0.000 1.217 214 L HN 0.281 nan 8.230 nan 0.000 0.420 215 S N 3.731 119.417 115.700 -0.022 0.000 3.137 215 S HA 0.605 5.074 4.470 -0.001 0.000 0.292 215 S C -0.518 174.066 174.600 -0.027 0.000 1.041 215 S CA -0.807 57.379 58.200 -0.023 0.000 0.956 215 S CB 0.309 63.489 63.200 -0.032 0.000 1.360 215 S HN 0.568 nan 8.310 nan 0.000 0.690 216 L N 2.800 124.006 121.223 -0.029 0.000 2.806 216 L HA -0.022 4.317 4.340 -0.001 0.000 0.282 216 L C -0.230 176.615 176.870 -0.042 0.000 1.166 216 L CA 0.106 54.928 54.840 -0.030 0.000 0.969 216 L CB -0.866 41.179 42.059 -0.024 0.000 1.304 216 L HN 0.444 nan 8.230 nan 0.000 0.474 217 L N 5.614 126.810 121.223 -0.044 0.000 2.466 217 L HA 0.283 4.623 4.340 -0.001 0.000 0.257 217 L C -1.764 175.075 176.870 -0.052 0.000 1.189 217 L CA -1.794 53.007 54.840 -0.066 0.000 0.813 217 L CB -0.031 41.970 42.059 -0.097 0.000 1.118 217 L HN 0.395 nan 8.230 nan 0.000 0.471 218 P HA 0.047 nan 4.420 nan 0.000 0.267 218 P C -1.839 175.442 177.300 -0.031 0.000 1.209 218 P CA -0.872 62.218 63.100 -0.017 0.000 0.763 218 P CB 0.165 31.864 31.700 -0.001 0.000 0.816 219 P HA -0.169 nan 4.420 nan 0.000 0.216 219 P C 0.455 177.741 177.300 -0.023 0.000 1.150 219 P CA 1.251 64.338 63.100 -0.021 0.000 0.843 219 P CB 0.087 31.779 31.700 -0.014 0.000 0.787 223 Q N 0.078 119.861 119.800 -0.027 0.000 2.096 223 Q HA -0.222 4.117 4.340 -0.001 0.000 0.208 223 Q C 1.497 177.490 176.000 -0.012 0.000 0.993 223 Q CA 1.731 57.521 55.803 -0.022 0.000 0.862 223 Q CB 0.144 28.875 28.738 -0.013 0.000 0.915 223 Q HN 0.442 nan 8.270 nan 0.000 0.416 224 E N -0.175 120.024 120.200 -0.002 0.000 2.058 224 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 224 E C 2.066 178.683 176.600 0.029 0.000 0.997 224 E CA 1.586 57.995 56.400 0.014 0.000 0.801 224 E CB -0.249 29.461 29.700 0.017 0.000 0.746 224 E HN 0.352 nan 8.360 nan 0.000 0.450 225 T N 1.470 116.033 114.554 0.014 0.000 2.720 225 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 225 T C 1.939 176.636 174.700 -0.004 0.000 1.037 225 T CA 1.440 63.558 62.100 0.030 0.000 1.144 225 T CB -0.168 68.679 68.868 -0.036 0.000 0.864 225 T HN 0.265 nan 8.240 nan 0.000 0.444 226 Q N 0.249 119.999 119.800 -0.083 0.000 2.084 226 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 226 Q C 2.459 178.480 176.000 0.035 0.000 0.978 226 Q CA 1.321 57.066 55.803 -0.096 0.000 0.844 226 Q CB -0.163 28.526 28.738 -0.083 0.000 0.898 226 Q HN 0.366 nan 8.270 nan 0.000 0.426 227 E N 1.104 121.329 120.200 0.041 0.000 2.153 227 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 227 E C 1.447 178.103 176.600 0.093 0.000 0.988 227 E CA 1.208 57.641 56.400 0.055 0.000 0.811 227 E CB 0.100 29.820 29.700 0.034 0.000 0.746 227 E HN 0.348 nan 8.360 nan 0.000 0.466 228 E N -1.162 119.119 120.200 0.136 0.000 2.150 228 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 228 E C 1.684 178.390 176.600 0.176 0.000 0.985 228 E CA 0.870 57.358 56.400 0.146 0.000 0.814 228 E CB -0.192 29.609 29.700 0.167 0.000 0.752 228 E HN 0.369 nan 8.360 nan 0.000 0.466 229 Y N 0.997 121.295 120.300 -0.003 0.000 2.220 229 Y HA -0.046 4.503 4.550 -0.001 0.000 0.291 229 Y C 2.283 178.177 175.900 -0.010 0.000 1.129 229 Y CA 0.827 58.923 58.100 -0.008 0.000 1.161 229 Y CB -0.140 38.315 38.460 -0.009 0.000 0.997 229 Y HN -0.088 nan 8.280 nan 0.000 0.522 230 R N -0.353 120.241 120.500 0.157 0.000 2.120 230 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 230 R C 2.215 178.541 176.300 0.043 0.000 1.123 230 R CA 1.164 57.310 56.100 0.077 0.000 0.975 230 R CB -0.303 30.029 30.300 0.054 0.000 0.866 230 R HN 0.176 nan 8.270 nan 0.000 0.446 231 R N 1.141 121.666 120.500 0.041 0.000 2.152 231 R HA -0.078 4.261 4.340 -0.001 0.000 0.232 231 R C 1.713 178.013 176.300 0.001 0.000 1.117 231 R CA 1.271 57.382 56.100 0.018 0.000 0.981 231 R CB 0.065 30.376 30.300 0.018 0.000 0.870 231 R HN 0.115 nan 8.270 nan 0.000 0.451 232 K N -0.395 119.999 120.400 -0.010 0.000 2.439 232 K HA 0.031 4.350 4.320 -0.001 0.000 0.197 232 K C -0.192 176.394 176.600 -0.023 0.000 1.041 232 K CA 0.321 56.588 56.287 -0.033 0.000 0.970 232 K CB 0.442 32.896 32.500 -0.076 0.000 0.773 232 K HN -0.025 nan 8.250 nan 0.000 0.479 233 V N 2.980 122.889 119.914 -0.008 0.000 2.427 233 V HA 0.038 4.157 4.120 -0.001 0.000 0.268 233 V C -1.673 174.416 176.094 -0.008 0.000 1.046 233 V CA -1.230 61.066 62.300 -0.008 0.000 0.970 233 V CB 1.064 32.888 31.823 0.000 0.000 1.001 233 V HN 0.018 nan 8.190 nan 0.000 0.476 234 P HA -0.112 nan 4.420 nan 0.000 0.215 234 P C 0.573 177.868 177.300 -0.009 0.000 1.153 234 P CA 0.661 63.755 63.100 -0.011 0.000 0.853 234 P CB 0.196 31.889 31.700 -0.013 0.000 0.788 235 L N -0.368 120.850 121.223 -0.010 0.000 2.358 235 L HA 0.470 4.810 4.340 -0.001 0.000 0.274 235 L C 1.042 177.908 176.870 -0.007 0.000 1.136 235 L CA 0.386 55.220 54.840 -0.009 0.000 0.970 235 L CB -1.140 40.911 42.059 -0.012 0.000 1.314 235 L HN 0.298 nan 8.230 nan 0.000 0.427 236 G N 2.217 111.014 108.800 -0.005 0.000 2.175 236 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.244 236 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.244 236 G C 0.483 175.384 174.900 0.001 0.000 0.982 236 G CA 0.110 45.208 45.100 -0.003 0.000 0.641 236 G HN 0.581 nan 8.290 nan 0.000 0.527 237 Q N -0.864 118.937 119.800 0.001 0.000 2.434 237 Q HA -0.102 4.238 4.340 -0.001 0.000 0.299 237 Q C 0.408 176.415 176.000 0.011 0.000 1.286 237 Q CA 1.698 57.504 55.803 0.006 0.000 0.872 237 Q CB -1.701 27.041 28.738 0.006 0.000 1.193 237 Q HN 1.548 nan 8.270 nan 0.000 0.466 238 S N -0.762 114.944 115.700 0.009 0.000 2.595 238 S HA 0.595 5.065 4.470 -0.001 0.000 0.281 238 S C -0.826 173.781 174.600 0.011 0.000 1.117 238 S CA -0.744 57.462 58.200 0.011 0.000 0.873 238 S CB 1.320 64.523 63.200 0.005 0.000 1.108 238 S HN 0.287 nan 8.310 nan 0.000 0.477 239 E N 2.164 122.372 120.200 0.013 0.000 2.314 239 E HA 0.582 4.932 4.350 -0.001 0.000 0.262 239 E C -0.091 176.510 176.600 0.001 0.000 1.093 239 E CA -0.701 55.705 56.400 0.010 0.000 0.908 239 E CB 1.143 30.851 29.700 0.012 0.000 1.091 239 E HN 0.673 nan 8.360 nan 0.000 0.425 240 A N 1.734 124.552 122.820 -0.003 0.000 2.440 240 A HA 0.287 4.606 4.320 -0.001 0.000 0.251 240 A C 0.478 178.059 177.584 -0.005 0.000 1.089 240 A CA 0.022 52.055 52.037 -0.007 0.000 0.779 240 A CB -0.095 18.898 19.000 -0.011 0.000 1.022 240 A HN 0.694 nan 8.150 nan 0.000 0.492 241 S N 1.819 117.518 115.700 -0.002 0.000 2.617 241 S HA 0.502 4.971 4.470 -0.001 0.000 0.269 241 S C 1.251 175.854 174.600 0.004 0.000 1.292 241 S CA -0.151 58.050 58.200 0.001 0.000 1.010 241 S CB 1.350 64.553 63.200 0.004 0.000 0.944 241 S HN 1.604 nan 8.310 nan 0.000 0.536 242 A N 2.194 125.020 122.820 0.010 0.000 1.978 242 A HA 0.069 4.388 4.320 -0.001 0.000 0.220 242 A C 2.348 179.943 177.584 0.019 0.000 1.170 242 A CA 1.904 53.952 52.037 0.017 0.000 0.636 242 A CB -1.617 17.404 19.000 0.035 0.000 0.810 242 A HN 1.389 nan 8.150 nan 0.000 0.448 243 A N -0.843 121.989 122.820 0.020 0.000 1.930 243 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 243 A C 2.093 179.684 177.584 0.012 0.000 1.175 243 A CA 1.567 53.616 52.037 0.019 0.000 0.627 243 A CB -0.462 18.550 19.000 0.020 0.000 0.815 243 A HN 0.667 nan 8.150 nan 0.000 0.443 244 Q N -0.687 119.117 119.800 0.006 0.000 2.172 244 Q HA -0.056 4.284 4.340 -0.001 0.000 0.200 244 Q C 1.855 177.855 176.000 0.000 0.000 0.964 244 Q CA 0.967 56.770 55.803 0.000 0.000 0.855 244 Q CB -0.163 28.572 28.738 -0.005 0.000 0.918 244 Q HN 0.576 nan 8.270 nan 0.000 0.444 245 I N 0.625 121.196 120.570 0.000 0.000 2.252 245 I HA -0.167 4.003 4.170 -0.001 0.000 0.245 245 I C 2.273 178.393 176.117 0.005 0.000 1.102 245 I CA 1.113 62.412 61.300 -0.002 0.000 1.385 245 I CB -1.404 36.592 38.000 -0.006 0.000 1.064 245 I HN 0.100 nan 8.210 nan 0.000 0.414 246 A N 0.434 123.259 122.820 0.008 0.000 2.015 246 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 246 A C 1.964 179.561 177.584 0.022 0.000 1.163 246 A CA 1.560 53.602 52.037 0.009 0.000 0.646 246 A CB -0.479 18.527 19.000 0.010 0.000 0.806 246 A HN 0.341 nan 8.150 nan 0.000 0.448 247 D N 0.247 120.662 120.400 0.026 0.000 2.117 247 D HA -0.064 4.575 4.640 -0.001 0.000 0.197 247 D C 2.273 178.613 176.300 0.067 0.000 0.987 247 D CA 1.502 55.526 54.000 0.040 0.000 0.829 247 D CB -0.381 40.431 40.800 0.020 0.000 0.961 247 D HN 0.417 nan 8.370 nan 0.000 0.460 248 A N 0.935 123.784 122.820 0.049 0.000 1.902 248 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 248 A C 2.391 180.050 177.584 0.124 0.000 1.181 248 A CA 0.869 52.954 52.037 0.080 0.000 0.623 248 A CB -0.697 18.325 19.000 0.037 0.000 0.818 248 A HN 0.190 nan 8.150 nan 0.000 0.443 249 I N -0.287 120.317 120.570 0.058 0.000 2.226 249 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 249 I C 2.940 179.070 176.117 0.021 0.000 1.100 249 I CA 1.040 62.352 61.300 0.021 0.000 1.374 249 I CB -0.378 37.610 38.000 -0.020 0.000 1.057 249 I HN 0.369 nan 8.210 nan 0.000 0.413 250 A N 0.695 123.545 122.820 0.050 0.000 1.933 250 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 250 A C 2.211 179.855 177.584 0.100 0.000 1.175 250 A CA 1.379 53.452 52.037 0.059 0.000 0.628 250 A CB -0.871 18.175 19.000 0.078 0.000 0.814 250 A HN 0.484 nan 8.150 nan 0.000 0.444 251 F N 0.489 120.441 119.950 0.003 0.000 2.146 251 F HA -0.052 4.475 4.527 -0.001 0.000 0.298 251 F C 1.710 177.517 175.800 0.011 0.000 1.096 251 F CA 1.523 59.530 58.000 0.011 0.000 1.275 251 F CB -0.249 38.755 39.000 0.006 0.000 1.008 251 F HN 0.114 nan 8.300 nan 0.000 0.480 252 L N 0.266 121.409 121.223 -0.134 0.000 2.376 252 L HA -0.092 4.248 4.340 -0.001 0.000 0.219 252 L C 2.189 178.939 176.870 -0.200 0.000 1.133 252 L CA 0.900 55.595 54.840 -0.242 0.000 0.816 252 L CB -0.520 41.510 42.059 -0.049 0.000 0.933 252 L HN 0.296 nan 8.230 nan 0.000 0.449 253 V N -4.675 115.160 119.914 -0.132 0.000 3.471 253 V HA 0.124 4.243 4.120 -0.001 0.000 0.258 253 V C 1.426 177.504 176.094 -0.027 0.000 1.192 253 V CA 0.163 62.414 62.300 -0.081 0.000 1.116 253 V CB -0.288 31.470 31.823 -0.109 0.000 0.792 253 V HN 0.360 nan 8.190 nan 0.000 0.459 254 S N 0.795 116.448 115.700 -0.079 0.000 2.617 254 S HA 0.252 4.721 4.470 -0.001 0.000 0.259 254 S C 0.855 175.401 174.600 -0.090 0.000 1.301 254 S CA -0.007 58.166 58.200 -0.044 0.000 0.984 254 S CB 0.841 64.017 63.200 -0.040 0.000 0.954 254 S HN 0.466 nan 8.310 nan 0.000 0.572 255 K N -0.079 120.294 120.400 -0.045 0.000 2.366 255 K HA 0.013 4.332 4.320 -0.001 0.000 0.198 255 K C 0.699 177.264 176.600 -0.059 0.000 1.044 255 K CA 0.999 57.264 56.287 -0.037 0.000 0.973 255 K CB -0.298 32.195 32.500 -0.010 0.000 0.767 255 K HN 0.570 nan 8.250 nan 0.000 0.475 256 D N 0.556 120.906 120.400 -0.083 0.000 2.392 256 D HA -0.067 4.572 4.640 -0.001 0.000 0.228 256 D C 0.711 176.890 176.300 -0.201 0.000 1.003 256 D CA 0.516 54.486 54.000 -0.050 0.000 0.917 256 D CB 0.260 41.111 40.800 0.086 0.000 0.890 256 D HN 0.236 nan 8.370 nan 0.000 0.532 257 A N -0.624 121.987 122.820 -0.349 0.000 2.609 257 A HA 0.454 4.773 4.320 -0.001 0.000 0.286 257 A C 1.984 179.487 177.584 -0.136 0.000 1.138 257 A CA 0.111 51.916 52.037 -0.387 0.000 0.960 257 A CB 0.051 18.582 19.000 -0.782 0.000 1.208 257 A HN 0.169 nan 8.150 nan 0.000 0.541 258 G N -1.127 107.641 108.800 -0.052 0.000 2.516 258 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.221 258 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.221 258 G C 0.980 175.940 174.900 0.100 0.000 1.107 258 G CA 1.499 46.613 45.100 0.022 0.000 0.747 258 G HN 0.592 nan 8.290 nan 0.000 0.567 259 Y N 0.193 120.478 120.300 -0.024 0.000 2.467 259 Y HA 0.481 5.031 4.550 -0.001 0.000 0.250 259 Y C 0.607 176.505 175.900 -0.005 0.000 1.155 259 Y CA -1.272 56.826 58.100 -0.003 0.000 1.249 259 Y CB 0.383 38.848 38.460 0.009 0.000 1.146 259 Y HN -0.019 nan 8.280 nan 0.000 0.524 260 I N 1.126 121.691 120.570 -0.008 0.000 2.297 260 I HA 0.271 4.440 4.170 -0.001 0.000 0.291 260 I C 0.038 176.106 176.117 -0.081 0.000 1.033 260 I CA -0.132 61.144 61.300 -0.041 0.000 1.253 260 I CB 1.202 39.202 38.000 0.001 0.000 1.396 260 I HN -0.048 nan 8.210 nan 0.000 0.476 261 T N 3.467 117.958 114.554 -0.105 0.000 2.923 261 T HA 0.547 4.896 4.350 -0.001 0.000 0.311 261 T C 0.494 175.148 174.700 -0.076 0.000 1.183 261 T CA 0.316 62.362 62.100 -0.090 0.000 1.020 261 T CB 1.556 70.361 68.868 -0.105 0.000 1.165 261 T HN 0.915 nan 8.240 nan 0.000 0.482 262 G N 2.153 110.918 108.800 -0.060 0.000 2.155 262 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.257 262 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.257 262 G C 0.314 175.191 174.900 -0.037 0.000 0.983 262 G CA 1.066 46.136 45.100 -0.049 0.000 0.676 262 G HN 1.388 nan 8.290 nan 0.000 0.528 263 T N -1.743 112.793 114.554 -0.030 0.000 2.945 263 T HA 0.704 5.053 4.350 -0.001 0.000 0.286 263 T C -0.099 174.593 174.700 -0.014 0.000 1.025 263 T CA 0.407 62.499 62.100 -0.014 0.000 1.039 263 T CB 2.305 71.178 68.868 0.008 0.000 1.068 263 T HN 0.363 nan 8.240 nan 0.000 0.497 264 T N 3.658 118.204 114.554 -0.012 0.000 2.786 264 T HA 0.478 4.827 4.350 -0.001 0.000 0.283 264 T C -0.817 173.880 174.700 -0.005 0.000 0.992 264 T CA -0.585 61.504 62.100 -0.019 0.000 0.954 264 T CB 0.921 69.767 68.868 -0.037 0.000 0.934 264 T HN 0.623 nan 8.240 nan 0.000 0.440 265 L N 4.352 125.578 121.223 0.004 0.000 2.259 265 L HA 0.469 4.808 4.340 -0.001 0.000 0.288 265 L C 0.231 177.096 176.870 -0.007 0.000 1.051 265 L CA -0.435 54.412 54.840 0.013 0.000 0.824 265 L CB 0.367 42.455 42.059 0.047 0.000 1.206 265 L HN 0.478 nan 8.230 nan 0.000 0.429 266 K N 4.256 124.647 120.400 -0.015 0.000 2.276 266 K HA 0.453 4.772 4.320 -0.001 0.000 0.283 266 K C -1.247 175.339 176.600 -0.023 0.000 1.044 266 K CA -0.406 55.867 56.287 -0.023 0.000 0.944 266 K CB 0.771 33.257 32.500 -0.024 0.000 1.012 266 K HN 0.523 nan 8.250 nan 0.000 0.472 267 V N 5.755 125.655 119.914 -0.024 0.000 2.383 267 V HA 0.085 4.205 4.120 -0.001 0.000 0.261 267 V C -0.426 175.654 176.094 -0.023 0.000 0.987 267 V CA -0.577 61.709 62.300 -0.024 0.000 0.853 267 V CB 0.663 32.473 31.823 -0.021 0.000 1.095 267 V HN 0.975 nan 8.190 nan 0.000 0.461 268 D N 1.524 121.911 120.400 -0.023 0.000 2.527 268 D HA 0.146 4.786 4.640 -0.001 0.000 0.224 268 D C 1.289 177.578 176.300 -0.018 0.000 1.217 268 D CA 0.371 54.359 54.000 -0.021 0.000 0.819 268 D CB 0.792 41.579 40.800 -0.023 0.000 1.061 268 D HN 0.631 nan 8.370 nan 0.000 0.515 269 G N 0.716 109.504 108.800 -0.019 0.000 2.305 269 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.287 269 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.287 269 G C 1.245 176.136 174.900 -0.016 0.000 1.036 269 G CA 0.670 45.760 45.100 -0.017 0.000 0.887 269 G HN 1.389 nan 8.290 nan 0.000 0.505 270 G N -1.866 106.923 108.800 -0.018 0.000 2.155 270 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.257 270 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.257 270 G C 1.191 176.081 174.900 -0.018 0.000 0.983 270 G CA 1.030 46.120 45.100 -0.017 0.000 0.676 270 G HN 1.608 nan 8.290 nan 0.000 0.528 271 L N 0.635 121.846 121.223 -0.019 0.000 2.046 271 L HA 0.218 4.558 4.340 -0.001 0.000 0.208 271 L C 2.461 179.317 176.870 -0.023 0.000 1.077 271 L CA 2.477 57.303 54.840 -0.022 0.000 0.747 271 L CB -0.347 41.698 42.059 -0.023 0.000 0.896 271 L HN 0.452 nan 8.230 nan 0.000 0.432 272 I N -1.197 119.361 120.570 -0.021 0.000 2.916 272 I HA -0.228 3.941 4.170 -0.001 0.000 0.267 272 I C 1.478 177.585 176.117 -0.016 0.000 1.263 272 I CA 0.515 61.804 61.300 -0.018 0.000 1.471 272 I CB 0.139 38.129 38.000 -0.018 0.000 1.089 272 I HN 0.282 nan 8.210 nan 0.000 0.468 273 L N 0.810 122.024 121.223 -0.016 0.000 2.375 273 L HA 0.241 4.581 4.340 -0.001 0.000 0.215 273 L C 1.448 178.310 176.870 -0.014 0.000 1.108 273 L CA 0.479 55.312 54.840 -0.013 0.000 0.830 273 L CB -1.112 40.939 42.059 -0.013 0.000 0.959 273 L HN 0.104 nan 8.230 nan 0.000 0.457 274 A N 0.418 123.227 122.820 -0.018 0.000 2.492 274 A HA 0.204 4.523 4.320 -0.001 0.000 0.254 274 A C 0.574 178.147 177.584 -0.018 0.000 1.091 274 A CA -0.061 51.965 52.037 -0.019 0.000 0.768 274 A CB -0.239 18.746 19.000 -0.025 0.000 1.028 274 A HN 0.252 nan 8.150 nan 0.000 0.498 275 R N 2.025 122.516 120.500 -0.016 0.000 2.390 275 R HA 0.502 4.841 4.340 -0.001 0.000 0.291 275 R C 0.592 176.882 176.300 -0.017 0.000 1.070 275 R CA 0.396 56.487 56.100 -0.013 0.000 1.014 275 R CB 0.747 31.041 30.300 -0.010 0.000 1.007 275 R HN 0.910 nan 8.270 nan 0.000 0.466 276 A N 0.000 122.811 122.820 -0.016 0.000 2.254 276 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 276 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 276 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 276 A HN 0.000 nan 8.150 nan 0.000 0.486