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 2v7d_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMDKNELVQ KAKLAEQAER YDDMAACMKS VTEQGAELSN EERNLLSVAY DATA SEQUENCE KNVVGARRSS WRVVSSIEQK XXXAEKKQQM AREYREKIET ELRDICNDVL DATA SEQUENCE SLLEKFLIPN ASQAESKVFY LKMKGDYYRY LAEVAAGDDK KGIVDQSQQA DATA SEQUENCE YQEAFEISKK EMQPTHPIRL GLALNFSVFY YEILNSPEKA CSLAKTAFDE DATA SEQUENCE AIAELDTLSE ESYKDSTLIM QLLRDNLTLW TS 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 -1 G C 0.000 174.903 174.900 0.005 0.000 0.946 -1 G CA 0.000 45.104 45.100 0.007 0.000 0.502 0 S N 0.848 116.551 115.700 0.005 0.000 2.359 0 S HA 0.038 4.509 4.470 0.001 0.000 0.222 0 S C 1.446 176.047 174.600 0.000 0.000 1.038 0 S CA 1.540 59.742 58.200 0.003 0.000 1.051 0 S CB -0.481 62.721 63.200 0.004 0.000 0.944 0 S HN 0.790 nan 8.310 nan 0.000 0.433 1 M N -0.008 119.592 119.600 -0.001 0.000 2.796 1 M HA 0.625 5.106 4.480 0.001 0.000 0.303 1 M C -1.696 174.601 176.300 -0.004 0.000 1.240 1 M CA -0.788 54.509 55.300 -0.004 0.000 0.831 1 M CB 1.185 33.781 32.600 -0.007 0.000 1.750 1 M HN -0.082 nan 8.290 nan 0.000 0.484 2 D N 1.455 121.852 120.400 -0.006 0.000 2.441 2 D HA 0.195 4.835 4.640 0.001 0.000 0.221 2 D C 0.740 177.034 176.300 -0.009 0.000 1.156 2 D CA -0.009 53.987 54.000 -0.006 0.000 0.896 2 D CB 0.861 41.657 40.800 -0.007 0.000 1.028 2 D HN 0.755 nan 8.370 nan 0.000 0.509 3 K N 3.202 123.598 120.400 -0.007 0.000 2.286 3 K HA -0.248 4.072 4.320 0.001 0.000 0.203 3 K C 1.185 177.779 176.600 -0.009 0.000 1.045 3 K CA 1.151 57.433 56.287 -0.009 0.000 0.935 3 K CB 0.160 32.658 32.500 -0.003 0.000 0.737 3 K HN 0.326 nan 8.250 nan 0.000 0.460 4 N N 0.705 119.401 118.700 -0.007 0.000 2.278 4 N HA -0.135 4.605 4.740 0.001 0.000 0.181 4 N C 1.653 177.156 175.510 -0.011 0.000 1.023 4 N CA 1.007 54.053 53.050 -0.007 0.000 0.862 4 N CB 0.055 38.539 38.487 -0.005 0.000 1.003 4 N HN 0.242 nan 8.380 nan 0.000 0.431 5 E N 0.105 120.298 120.200 -0.012 0.000 2.160 5 E HA -0.157 4.194 4.350 0.001 0.000 0.195 5 E C 1.741 178.330 176.600 -0.019 0.000 0.991 5 E CA 0.753 57.144 56.400 -0.015 0.000 0.810 5 E CB -0.059 29.633 29.700 -0.014 0.000 0.742 5 E HN 0.434 nan 8.360 nan 0.000 0.466 6 L N 0.009 121.220 121.223 -0.020 0.000 2.056 6 L HA -0.162 4.178 4.340 0.001 0.000 0.207 6 L C 2.489 179.343 176.870 -0.027 0.000 1.078 6 L CA 0.696 55.520 54.840 -0.027 0.000 0.749 6 L CB -0.304 41.738 42.059 -0.029 0.000 0.901 6 L HN 0.100 nan 8.230 nan 0.000 0.433 7 V N -0.593 119.309 119.914 -0.021 0.000 2.490 7 V HA -0.252 3.869 4.120 0.001 0.000 0.250 7 V C 2.548 178.630 176.094 -0.020 0.000 1.061 7 V CA 1.377 63.666 62.300 -0.018 0.000 1.064 7 V CB -0.456 31.361 31.823 -0.010 0.000 0.670 7 V HN 0.472 nan 8.190 nan 0.000 0.461 8 Q N 0.195 119.982 119.800 -0.020 0.000 2.049 8 Q HA -0.130 4.210 4.340 0.001 0.000 0.198 8 Q C 2.305 178.287 176.000 -0.030 0.000 0.971 8 Q CA 1.340 57.130 55.803 -0.022 0.000 0.833 8 Q CB -0.354 28.372 28.738 -0.018 0.000 0.896 8 Q HN 0.606 nan 8.270 nan 0.000 0.434 9 K N 0.724 121.104 120.400 -0.032 0.000 2.103 9 K HA -0.106 4.214 4.320 0.001 0.000 0.207 9 K C 2.053 178.622 176.600 -0.051 0.000 1.048 9 K CA 1.243 57.506 56.287 -0.040 0.000 0.930 9 K CB -0.195 32.282 32.500 -0.039 0.000 0.716 9 K HN 0.143 nan 8.250 nan 0.000 0.444 10 A N 1.773 124.564 122.820 -0.049 0.000 1.933 10 A HA -0.177 4.143 4.320 0.001 0.000 0.218 10 A C 1.815 179.364 177.584 -0.058 0.000 1.175 10 A CA 1.446 53.449 52.037 -0.057 0.000 0.628 10 A CB -0.180 18.793 19.000 -0.045 0.000 0.814 10 A HN 0.200 nan 8.150 nan 0.000 0.444 11 K N -1.137 119.237 120.400 -0.044 0.000 2.243 11 K HA 0.089 4.409 4.320 0.001 0.000 0.201 11 K C 1.675 178.243 176.600 -0.055 0.000 1.051 11 K CA 0.721 56.984 56.287 -0.041 0.000 0.970 11 K CB -0.113 32.373 32.500 -0.024 0.000 0.755 11 K HN 0.394 nan 8.250 nan 0.000 0.465 12 L N 0.701 121.890 121.223 -0.056 0.000 2.240 12 L HA 0.085 4.426 4.340 0.001 0.000 0.211 12 L C 1.978 178.798 176.870 -0.084 0.000 1.106 12 L CA 1.163 55.967 54.840 -0.059 0.000 0.793 12 L CB -0.269 41.762 42.059 -0.047 0.000 0.927 12 L HN 0.024 nan 8.230 nan 0.000 0.446 13 A N -0.710 122.048 122.820 -0.104 0.000 1.930 13 A HA -0.163 4.158 4.320 0.001 0.000 0.215 13 A C 2.278 179.720 177.584 -0.237 0.000 1.176 13 A CA 1.260 53.209 52.037 -0.147 0.000 0.632 13 A CB -0.533 18.384 19.000 -0.138 0.000 0.819 13 A HN 0.577 nan 8.150 nan 0.000 0.445 14 E N 0.044 120.112 120.200 -0.220 0.000 2.051 14 E HA -0.277 4.073 4.350 0.001 0.000 0.192 14 E C 2.091 178.558 176.600 -0.221 0.000 0.991 14 E CA 1.548 57.778 56.400 -0.283 0.000 0.799 14 E CB -0.215 29.416 29.700 -0.116 0.000 0.748 14 E HN 0.744 nan 8.360 nan 0.000 0.449 15 Q N -0.018 119.707 119.800 -0.125 0.000 2.061 15 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 15 Q C 2.053 177.996 176.000 -0.094 0.000 0.984 15 Q CA 1.535 57.289 55.803 -0.081 0.000 0.846 15 Q CB -0.205 28.500 28.738 -0.055 0.000 0.902 15 Q HN 0.347 nan 8.270 nan 0.000 0.421 16 A N 0.640 123.391 122.820 -0.116 0.000 2.252 16 A HA -0.068 4.252 4.320 0.001 0.000 0.207 16 A C 0.067 177.567 177.584 -0.140 0.000 1.194 16 A CA 0.279 52.254 52.037 -0.103 0.000 0.809 16 A CB -0.298 18.649 19.000 -0.089 0.000 0.814 16 A HN 0.423 nan 8.150 nan 0.000 0.482 17 E N -1.161 118.897 120.200 -0.236 0.000 2.360 17 E HA -0.207 4.143 4.350 0.001 0.000 0.238 17 E C -0.474 175.922 176.600 -0.340 0.000 1.186 17 E CA 0.425 56.621 56.400 -0.340 0.000 0.719 17 E CB -1.068 28.598 29.700 -0.057 0.000 1.236 17 E HN 0.696 nan 8.360 nan 0.000 0.386 18 R N 0.530 120.788 120.500 -0.404 0.000 2.664 18 R HA 0.185 4.525 4.340 0.001 0.000 0.281 18 R C 0.156 176.300 176.300 -0.259 0.000 1.383 18 R CA -0.328 55.644 56.100 -0.214 0.000 1.563 18 R CB 0.294 30.519 30.300 -0.125 0.000 1.131 18 R HN 0.176 nan 8.270 nan 0.000 0.599 19 Y N 0.077 120.360 120.300 -0.029 0.000 2.274 19 Y HA -0.219 4.331 4.550 0.000 0.000 0.290 19 Y C 1.586 177.442 175.900 -0.073 0.000 1.145 19 Y CA 1.194 59.266 58.100 -0.047 0.000 1.203 19 Y CB 0.054 38.497 38.460 -0.028 0.000 0.984 19 Y HN 0.388 nan 8.280 nan 0.000 0.533 20 D N -0.077 120.374 120.400 0.086 0.000 2.104 20 D HA -0.169 4.471 4.640 0.001 0.000 0.194 20 D C 1.746 178.028 176.300 -0.031 0.000 0.994 20 D CA 1.632 55.648 54.000 0.027 0.000 0.830 20 D CB -0.225 40.599 40.800 0.039 0.000 0.959 20 D HN 0.242 nan 8.370 nan 0.000 0.452 21 D N -0.396 119.979 120.400 -0.042 0.000 2.097 21 D HA -0.132 4.508 4.640 0.001 0.000 0.195 21 D C 2.007 178.252 176.300 -0.091 0.000 0.989 21 D CA 0.518 54.479 54.000 -0.064 0.000 0.827 21 D CB -0.312 40.446 40.800 -0.069 0.000 0.966 21 D HN 0.225 nan 8.370 nan 0.000 0.456 22 M N 0.531 120.066 119.600 -0.109 0.000 2.149 22 M HA -0.187 4.294 4.480 0.001 0.000 0.261 22 M C 1.969 178.178 176.300 -0.151 0.000 1.064 22 M CA 1.690 56.920 55.300 -0.117 0.000 1.102 22 M CB 0.102 32.629 32.600 -0.122 0.000 1.369 22 M HN -0.016 nan 8.290 nan 0.000 0.408 23 A N 0.076 122.762 122.820 -0.223 0.000 1.930 23 A HA 0.018 4.338 4.320 0.001 0.000 0.217 23 A C 2.290 179.649 177.584 -0.375 0.000 1.175 23 A CA 1.631 53.356 52.037 -0.519 0.000 0.627 23 A CB -1.053 17.462 19.000 -0.807 0.000 0.815 23 A HN 0.650 nan 8.150 nan 0.000 0.443 24 A N -0.820 121.883 122.820 -0.194 0.000 1.877 24 A HA -0.200 4.120 4.320 0.001 0.000 0.216 24 A C 2.269 179.799 177.584 -0.090 0.000 1.186 24 A CA 1.736 53.712 52.037 -0.101 0.000 0.620 24 A CB -1.323 17.641 19.000 -0.060 0.000 0.822 24 A HN 0.597 nan 8.150 nan 0.000 0.443 25 C N -1.787 117.458 119.300 -0.092 0.000 2.419 25 C HA -0.042 4.418 4.460 0.001 0.000 0.281 25 C C 2.651 177.599 174.990 -0.071 0.000 1.336 25 C CA 1.496 60.471 59.018 -0.072 0.000 1.770 25 C CB -1.065 26.636 27.740 -0.066 0.000 1.929 25 C HN 0.612 nan 8.230 nan 0.000 0.509 26 M N 0.511 120.057 119.600 -0.091 0.000 2.476 26 M HA 0.043 4.523 4.480 0.001 0.000 0.262 26 M C 2.073 178.345 176.300 -0.047 0.000 1.111 26 M CA 1.140 56.403 55.300 -0.062 0.000 1.127 26 M CB -0.659 31.904 32.600 -0.062 0.000 1.376 26 M HN 0.340 nan 8.290 nan 0.000 0.465 27 K N -1.283 119.086 120.400 -0.051 0.000 2.025 27 K HA -0.103 4.218 4.320 0.001 0.000 0.207 27 K C 2.172 178.704 176.600 -0.114 0.000 1.049 27 K CA 1.626 57.897 56.287 -0.028 0.000 0.933 27 K CB -0.269 32.250 32.500 0.031 0.000 0.714 27 K HN 0.196 nan 8.250 nan 0.000 0.438 28 S N -0.032 115.613 115.700 -0.091 0.000 2.383 28 S HA -0.102 4.369 4.470 0.001 0.000 0.229 28 S C 1.809 176.348 174.600 -0.102 0.000 1.030 28 S CA 1.325 59.468 58.200 -0.095 0.000 1.002 28 S CB -0.168 62.995 63.200 -0.062 0.000 0.829 28 S HN 0.246 nan 8.310 nan 0.000 0.467 29 V N 0.992 120.858 119.914 -0.081 0.000 2.358 29 V HA -0.122 3.999 4.120 0.001 0.000 0.246 29 V C 2.570 178.614 176.094 -0.084 0.000 1.047 29 V CA 2.188 64.451 62.300 -0.061 0.000 1.035 29 V CB -1.385 30.418 31.823 -0.034 0.000 0.658 29 V HN 0.495 nan 8.190 nan 0.000 0.452 30 T N -0.051 114.427 114.554 -0.127 0.000 2.746 30 T HA -0.207 4.143 4.350 0.001 0.000 0.267 30 T C 1.661 176.147 174.700 -0.356 0.000 1.039 30 T CA 1.580 63.570 62.100 -0.182 0.000 1.142 30 T CB -0.309 68.430 68.868 -0.214 0.000 0.866 30 T HN 0.594 nan 8.240 nan 0.000 0.444 31 E N 0.815 120.691 120.200 -0.540 0.000 2.515 31 E HA -0.073 4.278 4.350 0.001 0.000 0.201 31 E C 2.132 178.655 176.600 -0.128 0.000 1.071 31 E CA 0.283 56.250 56.400 -0.721 0.000 0.880 31 E CB 0.019 29.404 29.700 -0.525 0.000 0.828 31 E HN 0.362 nan 8.360 nan 0.000 0.540 32 Q N -0.832 118.929 119.800 -0.064 0.000 2.369 32 Q HA -0.027 4.313 4.340 0.001 0.000 0.206 32 Q C 1.683 177.736 176.000 0.089 0.000 0.963 32 Q CA 1.133 56.949 55.803 0.021 0.000 0.894 32 Q CB 0.637 29.376 28.738 0.001 0.000 0.965 32 Q HN 0.465 nan 8.270 nan 0.000 0.475 33 G N 0.165 109.055 108.800 0.150 0.000 2.399 33 G HA2 -0.291 3.670 3.960 0.001 0.000 0.216 33 G HA3 -0.291 3.670 3.960 0.001 0.000 0.216 33 G C 0.526 175.491 174.900 0.109 0.000 1.096 33 G CA 0.123 45.335 45.100 0.186 0.000 0.650 33 G HN 0.679 nan 8.290 nan 0.000 0.512 34 A N 0.815 123.676 122.820 0.068 0.000 2.577 34 A HA 0.441 4.761 4.320 0.001 0.000 0.233 34 A C 0.520 178.138 177.584 0.057 0.000 1.076 34 A CA 1.338 53.406 52.037 0.051 0.000 0.767 34 A CB 0.047 19.069 19.000 0.036 0.000 1.017 34 A HN 0.849 nan 8.150 nan 0.000 0.511 35 E N 0.252 120.485 120.200 0.056 0.000 2.313 35 E HA 0.390 4.740 4.350 0.001 0.000 0.276 35 E C -0.790 175.859 176.600 0.081 0.000 1.031 35 E CA -0.379 56.066 56.400 0.075 0.000 0.857 35 E CB 0.390 30.136 29.700 0.078 0.000 1.040 35 E HN 0.532 nan 8.360 nan 0.000 0.408 36 L N 3.791 125.088 121.223 0.124 0.000 2.410 36 L HA 0.069 4.409 4.340 0.001 0.000 0.273 36 L C 0.760 177.675 176.870 0.075 0.000 1.144 36 L CA -0.220 54.691 54.840 0.117 0.000 0.863 36 L CB 0.686 42.869 42.059 0.207 0.000 1.140 36 L HN 0.576 nan 8.230 nan 0.000 0.463 37 S N 2.503 118.224 115.700 0.034 0.000 2.600 37 S HA 0.103 4.573 4.470 0.001 0.000 0.265 37 S C 1.094 175.676 174.600 -0.031 0.000 1.325 37 S CA -0.682 57.520 58.200 0.004 0.000 1.002 37 S CB 0.802 64.003 63.200 0.002 0.000 0.921 37 S HN 0.629 nan 8.310 nan 0.000 0.554 38 N N 1.186 119.853 118.700 -0.056 0.000 2.137 38 N HA -0.171 4.569 4.740 0.001 0.000 0.190 38 N C 1.627 177.089 175.510 -0.079 0.000 1.017 38 N CA 1.710 54.699 53.050 -0.102 0.000 0.859 38 N CB -0.550 37.888 38.487 -0.082 0.000 1.002 38 N HN 0.899 nan 8.380 nan 0.000 0.428 39 E N 1.258 121.435 120.200 -0.038 0.000 2.015 39 E HA -0.147 4.203 4.350 0.001 0.000 0.191 39 E C 1.427 178.023 176.600 -0.007 0.000 0.991 39 E CA 0.929 57.318 56.400 -0.019 0.000 0.802 39 E CB 0.074 29.769 29.700 -0.008 0.000 0.759 39 E HN 0.382 nan 8.360 nan 0.000 0.447 40 E N 0.379 120.580 120.200 0.001 0.000 2.118 40 E HA -0.225 4.125 4.350 0.001 0.000 0.195 40 E C 2.297 178.922 176.600 0.042 0.000 0.992 40 E CA 0.804 57.217 56.400 0.021 0.000 0.804 40 E CB -0.199 29.516 29.700 0.026 0.000 0.741 40 E HN 0.165 nan 8.360 nan 0.000 0.458 41 R N 0.954 121.461 120.500 0.012 0.000 2.096 41 R HA -0.130 4.211 4.340 0.001 0.000 0.235 41 R C 2.250 178.564 176.300 0.023 0.000 1.127 41 R CA 1.213 57.316 56.100 0.005 0.000 0.968 41 R CB -0.074 30.086 30.300 -0.233 0.000 0.861 41 R HN 0.172 nan 8.270 nan 0.000 0.440 42 N N 0.365 119.059 118.700 -0.011 0.000 2.109 42 N HA -0.142 4.598 4.740 0.001 0.000 0.188 42 N C 1.713 177.289 175.510 0.109 0.000 1.034 42 N CA 0.925 54.011 53.050 0.060 0.000 0.846 42 N CB 0.012 38.514 38.487 0.024 0.000 1.010 42 N HN 0.059 nan 8.380 nan 0.000 0.425 43 L N 1.516 122.782 121.223 0.072 0.000 2.103 43 L HA -0.179 4.162 4.340 0.001 0.000 0.215 43 L C 2.416 179.340 176.870 0.090 0.000 1.080 43 L CA 1.093 55.975 54.840 0.069 0.000 0.764 43 L CB -1.301 40.779 42.059 0.034 0.000 0.890 43 L HN 0.304 nan 8.230 nan 0.000 0.435 44 L N -1.465 119.833 121.223 0.124 0.000 2.007 44 L HA -0.131 4.209 4.340 0.001 0.000 0.205 44 L C 2.719 179.744 176.870 0.258 0.000 1.073 44 L CA 1.989 56.930 54.840 0.169 0.000 0.744 44 L CB -0.993 41.201 42.059 0.225 0.000 0.898 44 L HN 0.250 nan 8.230 nan 0.000 0.435 45 S N -1.197 114.698 115.700 0.325 0.000 2.374 45 S HA -0.201 4.269 4.470 0.001 0.000 0.227 45 S C 1.976 176.749 174.600 0.288 0.000 1.037 45 S CA 1.780 60.204 58.200 0.374 0.000 1.024 45 S CB -0.494 63.008 63.200 0.502 0.000 0.861 45 S HN 0.315 nan 8.310 nan 0.000 0.456 46 V N 1.890 121.935 119.914 0.218 0.000 2.261 46 V HA -0.135 3.986 4.120 0.001 0.000 0.246 46 V C 2.873 179.064 176.094 0.162 0.000 1.047 46 V CA 1.870 64.271 62.300 0.167 0.000 1.015 46 V CB -1.417 30.500 31.823 0.157 0.000 0.642 46 V HN 0.631 nan 8.190 nan 0.000 0.446 47 A N -1.180 121.735 122.820 0.158 0.000 1.883 47 A HA -0.262 4.058 4.320 0.001 0.000 0.217 47 A C 2.093 179.713 177.584 0.060 0.000 1.186 47 A CA 2.208 54.317 52.037 0.120 0.000 0.624 47 A CB -0.800 18.167 19.000 -0.054 0.000 0.822 47 A HN 0.577 nan 8.150 nan 0.000 0.444 48 Y N -0.559 119.827 120.300 0.144 0.000 2.263 48 Y HA -0.023 4.528 4.550 0.001 0.000 0.292 48 Y C 2.373 178.401 175.900 0.214 0.000 1.130 48 Y CA 1.491 59.686 58.100 0.157 0.000 1.179 48 Y CB -0.229 38.293 38.460 0.104 0.000 0.998 48 Y HN 0.262 nan 8.280 nan 0.000 0.532 49 K N -0.025 120.588 120.400 0.355 0.000 2.211 49 K HA -0.149 4.171 4.320 0.001 0.000 0.203 49 K C 1.952 178.556 176.600 0.007 0.000 1.050 49 K CA 0.818 57.214 56.287 0.182 0.000 0.945 49 K CB -0.037 32.547 32.500 0.140 0.000 0.732 49 K HN 0.201 nan 8.250 nan 0.000 0.451 50 N N 0.071 118.740 118.700 -0.050 0.000 2.171 50 N HA -0.108 4.632 4.740 0.001 0.000 0.184 50 N C 1.634 177.055 175.510 -0.148 0.000 1.021 50 N CA 0.919 53.811 53.050 -0.265 0.000 0.854 50 N CB 0.184 38.250 38.487 -0.703 0.000 0.994 50 N HN -0.037 nan 8.380 nan 0.000 0.426 51 V N 0.574 120.490 119.914 0.004 0.000 2.283 51 V HA -0.111 4.010 4.120 0.001 0.000 0.243 51 V C 2.340 178.471 176.094 0.063 0.000 1.039 51 V CA 1.115 63.458 62.300 0.072 0.000 1.016 51 V CB -0.437 31.477 31.823 0.152 0.000 0.650 51 V HN 0.111 nan 8.190 nan 0.000 0.449 52 V N 0.755 120.728 119.914 0.097 0.000 2.809 52 V HA -0.052 4.068 4.120 0.001 0.000 0.256 52 V C 2.314 178.330 176.094 -0.131 0.000 1.080 52 V CA 1.961 64.267 62.300 0.011 0.000 1.102 52 V CB -0.432 31.419 31.823 0.048 0.000 0.705 52 V HN 0.548 nan 8.190 nan 0.000 0.475 53 G N -0.168 108.550 108.800 -0.138 0.000 2.459 53 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 53 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 53 G C 1.795 176.626 174.900 -0.116 0.000 1.183 53 G CA 1.061 46.056 45.100 -0.176 0.000 0.776 53 G HN 0.731 nan 8.290 nan 0.000 0.552 54 A N 0.635 123.409 122.820 -0.077 0.000 1.908 54 A HA -0.075 4.245 4.320 0.001 0.000 0.218 54 A C 2.501 180.071 177.584 -0.023 0.000 1.181 54 A CA 2.133 54.146 52.037 -0.041 0.000 0.627 54 A CB -0.348 18.642 19.000 -0.018 0.000 0.818 54 A HN 0.297 nan 8.150 nan 0.000 0.445 55 R N -0.531 119.955 120.500 -0.023 0.000 2.090 55 R HA 0.050 4.390 4.340 0.001 0.000 0.228 55 R C 2.326 178.644 176.300 0.030 0.000 1.110 55 R CA 1.439 57.540 56.100 0.001 0.000 0.973 55 R CB -0.378 29.923 30.300 0.001 0.000 0.869 55 R HN 0.572 nan 8.270 nan 0.000 0.440 56 R N -0.597 119.877 120.500 -0.043 0.000 2.075 56 R HA -0.061 4.279 4.340 0.001 0.000 0.232 56 R C 2.347 178.699 176.300 0.087 0.000 1.126 56 R CA 1.611 57.695 56.100 -0.027 0.000 0.963 56 R CB -0.412 29.768 30.300 -0.200 0.000 0.858 56 R HN 0.197 nan 8.270 nan 0.000 0.435 57 S N 0.252 115.964 115.700 0.020 0.000 2.355 57 S HA -0.119 4.351 4.470 0.001 0.000 0.222 57 S C 1.972 176.602 174.600 0.049 0.000 1.031 57 S CA 1.699 59.917 58.200 0.031 0.000 0.993 57 S CB -0.090 63.105 63.200 -0.008 0.000 0.859 57 S HN 0.227 nan 8.310 nan 0.000 0.453 58 S N 0.098 115.819 115.700 0.034 0.000 2.399 58 S HA -0.085 4.385 4.470 0.001 0.000 0.231 58 S C 1.170 175.768 174.600 -0.004 0.000 1.022 58 S CA 1.205 59.404 58.200 -0.003 0.000 0.983 58 S CB -0.539 62.639 63.200 -0.036 0.000 0.803 58 S HN 0.787 nan 8.310 nan 0.000 0.480 59 W N 2.635 123.878 121.300 -0.096 0.000 2.353 59 W HA -0.097 4.563 4.660 0.000 0.000 0.319 59 W C 2.339 178.827 176.519 -0.052 0.000 1.207 59 W CA 1.281 58.576 57.345 -0.084 0.000 1.291 59 W CB -0.318 29.103 29.460 -0.065 0.000 1.159 59 W HN 0.097 nan 8.180 nan 0.000 0.478 60 R N -0.259 120.356 120.500 0.192 0.000 2.094 60 R HA -0.220 4.121 4.340 0.001 0.000 0.239 60 R C 2.029 178.238 176.300 -0.152 0.000 1.137 60 R CA 2.313 58.419 56.100 0.010 0.000 0.943 60 R CB -1.366 29.029 30.300 0.159 0.000 0.850 60 R HN 0.154 nan 8.270 nan 0.000 0.433 61 V N 0.735 120.604 119.914 -0.075 0.000 2.250 61 V HA -0.284 3.837 4.120 0.001 0.000 0.250 61 V C 2.378 178.399 176.094 -0.122 0.000 1.060 61 V CA 2.100 64.355 62.300 -0.074 0.000 1.030 61 V CB -0.414 31.388 31.823 -0.035 0.000 0.643 61 V HN 0.182 nan 8.190 nan 0.000 0.445 62 V N -1.011 118.797 119.914 -0.176 0.000 2.453 62 V HA -0.179 3.941 4.120 0.001 0.000 0.247 62 V C 2.527 178.453 176.094 -0.281 0.000 1.048 62 V CA 2.038 64.231 62.300 -0.177 0.000 1.049 62 V CB -0.469 31.237 31.823 -0.195 0.000 0.672 62 V HN 0.585 nan 8.190 nan 0.000 0.457 63 S N -0.705 114.680 115.700 -0.525 0.000 2.447 63 S HA -0.171 4.300 4.470 0.001 0.000 0.233 63 S C 2.235 176.627 174.600 -0.347 0.000 1.006 63 S CA 1.691 59.515 58.200 -0.627 0.000 0.957 63 S CB -0.237 62.153 63.200 -1.350 0.000 0.773 63 S HN 0.612 nan 8.310 nan 0.000 0.507 64 S N 0.887 116.436 115.700 -0.251 0.000 2.336 64 S HA 0.114 4.584 4.470 0.001 0.000 0.216 64 S C 1.764 176.308 174.600 -0.094 0.000 1.032 64 S CA 0.861 58.979 58.200 -0.136 0.000 0.973 64 S CB -0.592 62.553 63.200 -0.092 0.000 0.888 64 S HN 0.634 nan 8.310 nan 0.000 0.455 65 I N 1.509 122.031 120.570 -0.081 0.000 2.800 65 I HA -0.147 4.024 4.170 0.001 0.000 0.266 65 I C 2.232 178.320 176.117 -0.049 0.000 1.249 65 I CA 1.520 62.790 61.300 -0.050 0.000 1.458 65 I CB -0.229 37.752 38.000 -0.031 0.000 1.093 65 I HN 0.574 nan 8.210 nan 0.000 0.466 66 E N 0.501 120.655 120.200 -0.076 0.000 2.028 66 E HA -0.278 4.073 4.350 0.001 0.000 0.190 66 E C 2.046 178.618 176.600 -0.048 0.000 0.984 66 E CA 1.309 57.670 56.400 -0.064 0.000 0.800 66 E CB -0.107 29.533 29.700 -0.100 0.000 0.758 66 E HN 0.645 nan 8.360 nan 0.000 0.448 67 Q N 0.954 120.721 119.800 -0.055 0.000 2.016 67 Q HA -0.078 4.262 4.340 0.001 0.000 0.200 67 Q C 0.814 176.799 176.000 -0.025 0.000 0.978 67 Q CA 1.155 56.937 55.803 -0.035 0.000 0.833 67 Q CB -0.237 28.480 28.738 -0.035 0.000 0.895 67 Q HN 0.126 nan 8.270 nan 0.000 0.427 73 E N 0.324 120.522 120.200 -0.003 0.000 2.042 73 E HA 0.019 4.369 4.350 0.001 0.000 0.189 73 E C 1.732 178.331 176.600 -0.002 0.000 0.974 73 E CA 1.434 57.833 56.400 -0.001 0.000 0.806 73 E CB -0.048 29.652 29.700 0.000 0.000 0.769 73 E HN 0.572 nan 8.360 nan 0.000 0.451 74 K N 0.805 121.203 120.400 -0.003 0.000 2.211 74 K HA -0.195 4.125 4.320 0.001 0.000 0.204 74 K C 1.918 178.513 176.600 -0.007 0.000 1.047 74 K CA 1.264 57.548 56.287 -0.005 0.000 0.935 74 K CB 0.023 32.520 32.500 -0.006 0.000 0.728 74 K HN -0.082 nan 8.250 nan 0.000 0.452 75 K N 0.297 120.692 120.400 -0.008 0.000 2.305 75 K HA -0.118 4.202 4.320 0.001 0.000 0.199 75 K C 1.992 178.587 176.600 -0.008 0.000 1.047 75 K CA 0.837 57.119 56.287 -0.010 0.000 0.976 75 K CB 0.198 32.692 32.500 -0.010 0.000 0.765 75 K HN 0.187 nan 8.250 nan 0.000 0.474 76 Q N -0.507 119.290 119.800 -0.006 0.000 2.349 76 Q HA -0.021 4.319 4.340 0.001 0.000 0.209 76 Q C 1.849 177.850 176.000 0.001 0.000 0.920 76 Q CA 0.223 56.023 55.803 -0.005 0.000 0.901 76 Q CB 0.395 29.129 28.738 -0.006 0.000 1.021 76 Q HN 0.191 nan 8.270 nan 0.000 0.519 77 Q N 0.165 119.966 119.800 0.003 0.000 2.226 77 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 77 Q C 1.903 177.910 176.000 0.013 0.000 0.975 77 Q CA 0.923 56.731 55.803 0.009 0.000 0.866 77 Q CB -0.050 28.693 28.738 0.008 0.000 0.915 77 Q HN 0.449 nan 8.270 nan 0.000 0.440 78 M N -0.427 119.175 119.600 0.003 0.000 2.086 78 M HA -0.144 4.337 4.480 0.001 0.000 0.261 78 M C 1.836 178.149 176.300 0.021 0.000 1.067 78 M CA 1.745 57.042 55.300 -0.005 0.000 1.116 78 M CB -0.394 32.191 32.600 -0.024 0.000 1.348 78 M HN 0.124 nan 8.290 nan 0.000 0.407 79 A N -0.145 122.691 122.820 0.026 0.000 1.970 79 A HA -0.141 4.180 4.320 0.001 0.000 0.216 79 A C 2.236 179.851 177.584 0.052 0.000 1.170 79 A CA 1.282 53.352 52.037 0.054 0.000 0.645 79 A CB -0.660 18.348 19.000 0.014 0.000 0.816 79 A HN 0.577 nan 8.150 nan 0.000 0.447 80 R N 0.388 120.905 120.500 0.028 0.000 2.070 80 R HA -0.170 4.170 4.340 0.001 0.000 0.232 80 R C 1.840 178.172 176.300 0.053 0.000 1.138 80 R CA 1.936 58.049 56.100 0.022 0.000 0.936 80 R CB -0.403 29.909 30.300 0.019 0.000 0.839 80 R HN 0.654 nan 8.270 nan 0.000 0.429 81 E N -0.602 119.640 120.200 0.070 0.000 2.153 81 E HA -0.233 4.117 4.350 0.001 0.000 0.194 81 E C 1.794 178.487 176.600 0.156 0.000 0.988 81 E CA 1.037 57.492 56.400 0.092 0.000 0.811 81 E CB -0.258 29.486 29.700 0.073 0.000 0.746 81 E HN 0.397 nan 8.360 nan 0.000 0.466 82 Y N 1.715 122.014 120.300 -0.002 0.000 2.314 82 Y HA -0.087 4.463 4.550 0.000 0.000 0.293 82 Y C 2.205 178.108 175.900 0.005 0.000 1.129 82 Y CA 1.027 59.127 58.100 0.000 0.000 1.201 82 Y CB 0.033 38.484 38.460 -0.015 0.000 0.999 82 Y HN -0.168 nan 8.280 nan 0.000 0.541 83 R N 1.040 121.539 120.500 -0.001 0.000 2.193 83 R HA -0.076 4.264 4.340 0.001 0.000 0.213 83 R C 1.289 177.622 176.300 0.054 0.000 1.055 83 R CA 1.367 57.401 56.100 -0.110 0.000 0.995 83 R CB -0.133 30.037 30.300 -0.216 0.000 0.893 83 R HN 0.513 nan 8.270 nan 0.000 0.459 84 E N 0.027 120.275 120.200 0.079 0.000 2.318 84 E HA -0.089 4.262 4.350 0.001 0.000 0.193 84 E C 1.749 178.405 176.600 0.093 0.000 0.998 84 E CA 0.411 56.877 56.400 0.110 0.000 0.859 84 E CB 0.112 29.867 29.700 0.092 0.000 0.812 84 E HN 0.251 nan 8.360 nan 0.000 0.492 85 K N 1.453 121.901 120.400 0.080 0.000 2.062 85 K HA -0.074 4.247 4.320 0.001 0.000 0.205 85 K C 2.034 178.657 176.600 0.038 0.000 1.051 85 K CA 0.819 57.151 56.287 0.076 0.000 0.941 85 K CB 0.077 32.659 32.500 0.137 0.000 0.719 85 K HN 0.033 nan 8.250 nan 0.000 0.440 86 I N 1.086 121.645 120.570 -0.018 0.000 2.286 86 I HA -0.211 3.960 4.170 0.001 0.000 0.245 86 I C 2.526 178.696 176.117 0.089 0.000 1.104 86 I CA 1.183 62.477 61.300 -0.010 0.000 1.397 86 I CB -0.301 37.647 38.000 -0.087 0.000 1.072 86 I HN 0.370 nan 8.210 nan 0.000 0.417 87 E N 0.908 121.214 120.200 0.177 0.000 2.070 87 E HA -0.293 4.057 4.350 0.001 0.000 0.197 87 E C 2.126 178.758 176.600 0.054 0.000 1.004 87 E CA 2.498 58.989 56.400 0.152 0.000 0.805 87 E CB 0.011 29.854 29.700 0.237 0.000 0.744 87 E HN 0.582 nan 8.360 nan 0.000 0.451 88 T N -1.977 112.613 114.554 0.060 0.000 2.904 88 T HA -0.105 4.246 4.350 0.001 0.000 0.267 88 T C 1.809 176.527 174.700 0.031 0.000 1.059 88 T CA 1.212 63.336 62.100 0.039 0.000 1.137 88 T CB -0.196 68.699 68.868 0.044 0.000 0.879 88 T HN 0.207 nan 8.240 nan 0.000 0.467 89 E N 0.534 120.756 120.200 0.036 0.000 2.110 89 E HA -0.053 4.297 4.350 0.001 0.000 0.193 89 E C 2.080 178.697 176.600 0.029 0.000 0.988 89 E CA 0.948 57.368 56.400 0.034 0.000 0.804 89 E CB -0.228 29.492 29.700 0.033 0.000 0.745 89 E HN 0.571 nan 8.360 nan 0.000 0.458 90 L N 0.364 121.598 121.223 0.019 0.000 2.072 90 L HA -0.103 4.238 4.340 0.001 0.000 0.205 90 L C 2.636 179.504 176.870 -0.003 0.000 1.079 90 L CA 1.026 55.865 54.840 -0.001 0.000 0.752 90 L CB -0.115 41.917 42.059 -0.044 0.000 0.906 90 L HN 0.031 nan 8.230 nan 0.000 0.436 91 R N -0.239 120.255 120.500 -0.010 0.000 2.120 91 R HA -0.175 4.165 4.340 0.001 0.000 0.234 91 R C 1.769 178.062 176.300 -0.012 0.000 1.123 91 R CA 1.640 57.732 56.100 -0.014 0.000 0.975 91 R CB -0.121 30.174 30.300 -0.009 0.000 0.866 91 R HN 0.469 nan 8.270 nan 0.000 0.446 92 D N 0.440 120.841 120.400 0.001 0.000 2.097 92 D HA -0.145 4.495 4.640 0.001 0.000 0.197 92 D C 1.943 178.235 176.300 -0.013 0.000 0.984 92 D CA 1.009 55.008 54.000 -0.002 0.000 0.826 92 D CB -0.058 40.752 40.800 0.017 0.000 0.973 92 D HN 0.152 nan 8.370 nan 0.000 0.460 93 I N 1.116 121.695 120.570 0.016 0.000 2.151 93 I HA -0.276 3.894 4.170 0.001 0.000 0.243 93 I C 2.709 178.768 176.117 -0.096 0.000 1.080 93 I CA 0.784 62.097 61.300 0.021 0.000 1.339 93 I CB -1.569 36.498 38.000 0.113 0.000 1.039 93 I HN 0.108 nan 8.210 nan 0.000 0.409 94 C N 0.990 120.279 119.300 -0.020 0.000 2.413 94 C HA -0.185 4.275 4.460 0.001 0.000 0.276 94 C C 2.664 177.531 174.990 -0.205 0.000 1.248 94 C CA 1.267 60.265 59.018 -0.033 0.000 1.742 94 C CB -1.744 26.016 27.740 0.034 0.000 2.017 94 C HN 0.576 nan 8.230 nan 0.000 0.481 95 N N 0.557 119.161 118.700 -0.159 0.000 2.244 95 N HA -0.130 4.611 4.740 0.001 0.000 0.183 95 N C 1.187 176.578 175.510 -0.198 0.000 1.016 95 N CA 1.121 54.067 53.050 -0.173 0.000 0.866 95 N CB -0.132 38.297 38.487 -0.097 0.000 0.980 95 N HN 0.564 nan 8.380 nan 0.000 0.430 96 D N 0.421 120.698 120.400 -0.205 0.000 2.097 96 D HA -0.081 4.560 4.640 0.001 0.000 0.197 96 D C 2.126 178.208 176.300 -0.364 0.000 0.984 96 D CA 0.832 54.705 54.000 -0.211 0.000 0.826 96 D CB -0.239 40.481 40.800 -0.133 0.000 0.973 96 D HN 0.036 nan 8.370 nan 0.000 0.460 97 V N 1.333 120.862 119.914 -0.642 0.000 2.295 97 V HA -0.210 3.910 4.120 0.001 0.000 0.246 97 V C 2.550 178.323 176.094 -0.534 0.000 1.049 97 V CA 0.986 62.789 62.300 -0.830 0.000 1.024 97 V CB -0.406 30.587 31.823 -1.385 0.000 0.648 97 V HN 0.128 nan 8.190 nan 0.000 0.447 98 L N 0.267 121.198 121.223 -0.485 0.000 2.079 98 L HA -0.155 4.185 4.340 0.001 0.000 0.210 98 L C 2.709 179.424 176.870 -0.258 0.000 1.081 98 L CA 2.245 56.838 54.840 -0.411 0.000 0.752 98 L CB -1.163 40.566 42.059 -0.550 0.000 0.896 98 L HN 0.439 nan 8.230 nan 0.000 0.433 99 S N -1.254 114.325 115.700 -0.202 0.000 2.357 99 S HA -0.134 4.337 4.470 0.001 0.000 0.221 99 S C 1.987 176.581 174.600 -0.011 0.000 1.031 99 S CA 0.770 58.920 58.200 -0.083 0.000 0.982 99 S CB -0.281 62.889 63.200 -0.050 0.000 0.853 99 S HN 0.269 nan 8.310 nan 0.000 0.458 100 L N 1.421 122.598 121.223 -0.077 0.000 2.187 100 L HA 0.060 4.400 4.340 0.001 0.000 0.213 100 L C 2.024 178.876 176.870 -0.029 0.000 1.100 100 L CA 1.401 56.211 54.840 -0.050 0.000 0.765 100 L CB -0.530 41.427 42.059 -0.170 0.000 0.904 100 L HN 0.394 nan 8.230 nan 0.000 0.437 101 L N -1.675 119.484 121.223 -0.108 0.000 2.071 101 L HA -0.098 4.242 4.340 0.001 0.000 0.201 101 L C 2.325 179.152 176.870 -0.073 0.000 1.076 101 L CA 0.892 55.661 54.840 -0.119 0.000 0.755 101 L CB -0.429 41.550 42.059 -0.132 0.000 0.915 101 L HN 0.186 nan 8.230 nan 0.000 0.445 102 E N -0.035 120.131 120.200 -0.056 0.000 2.150 102 E HA -0.161 4.189 4.350 0.001 0.000 0.193 102 E C 1.917 178.487 176.600 -0.051 0.000 0.985 102 E CA 0.699 57.076 56.400 -0.039 0.000 0.814 102 E CB 0.182 29.866 29.700 -0.027 0.000 0.752 102 E HN 0.269 nan 8.360 nan 0.000 0.466 103 K N -0.456 119.927 120.400 -0.028 0.000 2.242 103 K HA 0.074 4.394 4.320 0.001 0.000 0.200 103 K C 1.390 177.795 176.600 -0.325 0.000 1.050 103 K CA 0.782 56.976 56.287 -0.154 0.000 0.981 103 K CB 0.242 32.667 32.500 -0.125 0.000 0.795 103 K HN 0.100 nan 8.250 nan 0.000 0.477 104 F N -0.421 119.461 119.950 -0.114 0.000 2.495 104 F HA 0.085 4.613 4.527 0.001 0.000 0.271 104 F C 1.857 177.543 175.800 -0.190 0.000 0.889 104 F CA -0.364 57.562 58.000 -0.123 0.000 1.129 104 F CB -0.780 38.155 39.000 -0.109 0.000 1.169 104 F HN -0.288 nan 8.300 nan 0.000 0.781 105 L N 1.131 122.305 121.223 -0.082 0.000 1.933 105 L HA -0.237 4.103 4.340 0.001 0.000 0.220 105 L C 2.357 178.971 176.870 -0.427 0.000 1.078 105 L CA 1.859 56.386 54.840 -0.522 0.000 0.773 105 L CB -1.359 40.132 42.059 -0.946 0.000 0.890 105 L HN 0.132 nan 8.230 nan 0.000 0.434 106 I N -0.463 119.961 120.570 -0.243 0.000 2.091 106 I HA -0.279 3.892 4.170 0.001 0.000 0.239 106 I C -0.244 175.873 176.117 -0.000 0.000 1.061 106 I CA 1.567 62.849 61.300 -0.030 0.000 1.317 106 I CB -1.681 36.326 38.000 0.012 0.000 1.031 106 I HN 0.258 nan 8.210 nan 0.000 0.401 107 P HA -0.131 nan 4.420 nan 0.000 0.223 107 P C 0.152 177.444 177.300 -0.014 0.000 1.144 107 P CA 1.278 64.362 63.100 -0.027 0.000 0.783 107 P CB -0.130 31.533 31.700 -0.063 0.000 0.771 108 N N -0.206 118.486 118.700 -0.013 0.000 2.844 108 N HA 0.487 5.228 4.740 0.001 0.000 0.268 108 N C -1.577 173.968 175.510 0.058 0.000 1.574 108 N CA -0.437 52.621 53.050 0.012 0.000 0.838 108 N CB 0.126 38.617 38.487 0.005 0.000 1.177 108 N HN -0.186 nan 8.380 nan 0.000 0.495 109 A N 0.801 123.679 122.820 0.097 0.000 2.509 109 A HA 0.449 4.770 4.320 0.001 0.000 0.282 109 A C 0.374 178.027 177.584 0.115 0.000 1.054 109 A CA -0.586 51.552 52.037 0.168 0.000 0.820 109 A CB 0.531 19.733 19.000 0.337 0.000 1.333 109 A HN 0.324 nan 8.150 nan 0.000 0.409 110 S N 1.275 117.026 115.700 0.085 0.000 2.325 110 S HA -0.058 4.412 4.470 0.001 0.000 0.213 110 S C 0.746 175.377 174.600 0.052 0.000 1.031 110 S CA 0.647 58.881 58.200 0.056 0.000 0.984 110 S CB -0.299 62.925 63.200 0.040 0.000 0.939 110 S HN 0.808 nan 8.310 nan 0.000 0.438 111 Q N 1.486 121.313 119.800 0.044 0.000 2.478 111 Q HA 0.040 4.380 4.340 0.001 0.000 0.323 111 Q C 1.196 177.217 176.000 0.035 0.000 1.087 111 Q CA 0.384 56.203 55.803 0.026 0.000 1.056 111 Q CB -0.224 28.519 28.738 0.009 0.000 1.018 111 Q HN 0.462 nan 8.270 nan 0.000 0.387 112 A N 4.139 126.972 122.820 0.021 0.000 1.986 112 A HA -0.281 4.040 4.320 0.001 0.000 0.220 112 A C 1.817 179.421 177.584 0.034 0.000 1.171 112 A CA 1.885 53.938 52.037 0.027 0.000 0.640 112 A CB -0.240 18.763 19.000 0.005 0.000 0.811 112 A HN 0.812 nan 8.150 nan 0.000 0.451 113 E N -0.503 119.703 120.200 0.010 0.000 2.418 113 E HA -0.011 4.339 4.350 0.001 0.000 0.197 113 E C 1.567 178.205 176.600 0.063 0.000 1.026 113 E CA 1.355 57.770 56.400 0.026 0.000 0.862 113 E CB -0.250 29.438 29.700 -0.020 0.000 0.799 113 E HN 0.401 nan 8.360 nan 0.000 0.518 114 S N 0.475 116.195 115.700 0.033 0.000 2.427 114 S HA 0.062 4.533 4.470 0.001 0.000 0.224 114 S C 1.561 176.244 174.600 0.138 0.000 1.047 114 S CA 0.458 58.647 58.200 -0.017 0.000 0.953 114 S CB -0.004 63.210 63.200 0.023 0.000 0.824 114 S HN 0.188 nan 8.310 nan 0.000 0.502 115 K N 0.832 121.330 120.400 0.164 0.000 2.280 115 K HA 0.029 4.350 4.320 0.001 0.000 0.202 115 K C 1.780 178.479 176.600 0.164 0.000 1.047 115 K CA 0.790 57.188 56.287 0.186 0.000 0.942 115 K CB -0.118 32.455 32.500 0.121 0.000 0.739 115 K HN 0.190 nan 8.250 nan 0.000 0.457 116 V N 0.069 120.071 119.914 0.146 0.000 3.307 116 V HA -0.045 4.076 4.120 0.001 0.000 0.253 116 V C 1.459 177.641 176.094 0.148 0.000 1.149 116 V CA 0.466 62.849 62.300 0.138 0.000 1.112 116 V CB -0.153 31.745 31.823 0.125 0.000 0.777 116 V HN 0.212 nan 8.190 nan 0.000 0.464 117 F N 0.256 120.207 119.950 0.003 0.000 2.098 117 F HA -0.071 4.457 4.527 0.000 0.000 0.294 117 F C 2.051 177.844 175.800 -0.012 0.000 1.107 117 F CA 1.995 59.966 58.000 -0.048 0.000 1.234 117 F CB -0.411 38.469 39.000 -0.199 0.000 1.002 117 F HN 0.264 nan 8.300 nan 0.000 0.472 118 Y N -0.016 120.469 120.300 0.309 0.000 2.224 118 Y HA -0.161 4.389 4.550 0.001 0.000 0.289 118 Y C 2.253 178.156 175.900 0.005 0.000 1.146 118 Y CA 1.150 59.349 58.100 0.164 0.000 1.182 118 Y CB -1.094 37.483 38.460 0.195 0.000 0.983 118 Y HN 0.121 nan 8.280 nan 0.000 0.524 119 L N 0.567 121.895 121.223 0.175 0.000 2.201 119 L HA -0.146 4.195 4.340 0.001 0.000 0.212 119 L C 2.354 179.212 176.870 -0.020 0.000 1.105 119 L CA 1.604 56.482 54.840 0.063 0.000 0.775 119 L CB -0.719 41.384 42.059 0.074 0.000 0.913 119 L HN 0.160 nan 8.230 nan 0.000 0.440 120 K N -0.965 119.424 120.400 -0.018 0.000 2.025 120 K HA -0.170 4.151 4.320 0.001 0.000 0.207 120 K C 2.067 178.618 176.600 -0.081 0.000 1.049 120 K CA 1.458 57.744 56.287 -0.001 0.000 0.933 120 K CB -0.145 32.329 32.500 -0.043 0.000 0.714 120 K HN 0.220 nan 8.250 nan 0.000 0.438 121 M N 1.181 120.706 119.600 -0.124 0.000 2.073 121 M HA -0.232 4.248 4.480 0.001 0.000 0.258 121 M C 2.454 178.754 176.300 0.001 0.000 1.070 121 M CA 1.976 57.272 55.300 -0.006 0.000 1.103 121 M CB -0.396 32.231 32.600 0.045 0.000 1.321 121 M HN 0.180 nan 8.290 nan 0.000 0.405 122 K N 0.202 120.561 120.400 -0.070 0.000 2.074 122 K HA -0.179 4.142 4.320 0.001 0.000 0.209 122 K C 1.924 178.377 176.600 -0.246 0.000 1.048 122 K CA 1.800 58.020 56.287 -0.112 0.000 0.926 122 K CB -0.410 32.053 32.500 -0.061 0.000 0.713 122 K HN 0.432 nan 8.250 nan 0.000 0.444 123 G N 0.397 108.868 108.800 -0.548 0.000 2.408 123 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 123 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 123 G C 0.807 174.959 174.900 -1.246 0.000 1.150 123 G CA 1.130 45.417 45.100 -1.355 0.000 0.776 123 G HN 0.373 nan 8.290 nan 0.000 0.542 124 D N -0.258 119.737 120.400 -0.676 0.000 2.078 124 D HA -0.090 4.550 4.640 0.001 0.000 0.193 124 D C 2.089 177.781 176.300 -1.013 0.000 0.990 124 D CA 0.978 54.605 54.000 -0.621 0.000 0.827 124 D CB -0.265 40.277 40.800 -0.431 0.000 0.975 124 D HN 0.380 nan 8.370 nan 0.000 0.451 125 Y N -0.845 119.097 120.300 -0.596 0.000 2.274 125 Y HA -0.173 4.377 4.550 0.000 0.000 0.290 125 Y C 1.968 177.668 175.900 -0.334 0.000 1.145 125 Y CA 0.866 58.725 58.100 -0.402 0.000 1.203 125 Y CB -0.345 37.966 38.460 -0.249 0.000 0.984 125 Y HN 0.109 nan 8.280 nan 0.000 0.533 126 Y N -0.110 120.035 120.300 -0.257 0.000 2.293 126 Y HA -0.159 4.391 4.550 0.001 0.000 0.291 126 Y C 2.612 178.369 175.900 -0.239 0.000 1.137 126 Y CA 1.137 59.097 58.100 -0.233 0.000 1.202 126 Y CB -0.352 37.928 38.460 -0.301 0.000 0.990 126 Y HN 0.025 nan 8.280 nan 0.000 0.537 127 R N -1.055 119.323 120.500 -0.203 0.000 2.090 127 R HA -0.174 4.166 4.340 0.001 0.000 0.228 127 R C 1.590 177.858 176.300 -0.053 0.000 1.110 127 R CA 1.459 57.486 56.100 -0.122 0.000 0.973 127 R CB -0.416 29.802 30.300 -0.135 0.000 0.869 127 R HN 0.251 nan 8.270 nan 0.000 0.440 128 Y N 0.199 120.452 120.300 -0.079 0.000 2.293 128 Y HA -0.111 4.440 4.550 0.001 0.000 0.291 128 Y C 1.885 177.696 175.900 -0.148 0.000 1.137 128 Y CA 0.355 58.373 58.100 -0.138 0.000 1.202 128 Y CB -0.445 37.899 38.460 -0.194 0.000 0.990 128 Y HN 0.093 nan 8.280 nan 0.000 0.537 129 L N -0.434 120.818 121.223 0.048 0.000 2.291 129 L HA 0.047 4.388 4.340 0.001 0.000 0.214 129 L C 2.212 179.078 176.870 -0.007 0.000 1.120 129 L CA 1.372 56.216 54.840 0.007 0.000 0.799 129 L CB -0.825 41.254 42.059 0.034 0.000 0.925 129 L HN 0.134 nan 8.230 nan 0.000 0.446 130 A N -1.404 121.424 122.820 0.013 0.000 1.984 130 A HA -0.059 4.261 4.320 0.001 0.000 0.214 130 A C 2.088 179.657 177.584 -0.025 0.000 1.173 130 A CA 0.721 52.769 52.037 0.019 0.000 0.673 130 A CB -0.253 18.789 19.000 0.071 0.000 0.830 130 A HN 0.451 nan 8.150 nan 0.000 0.453 131 E N 0.078 120.244 120.200 -0.058 0.000 2.012 131 E HA -0.182 4.169 4.350 0.001 0.000 0.197 131 E C 2.018 178.419 176.600 -0.332 0.000 1.007 131 E CA 2.025 58.340 56.400 -0.142 0.000 0.816 131 E CB -0.439 29.166 29.700 -0.159 0.000 0.762 131 E HN 0.599 nan 8.360 nan 0.000 0.451 132 V N -0.691 118.902 119.914 -0.535 0.000 3.141 132 V HA 0.174 4.294 4.120 0.001 0.000 0.265 132 V C 0.958 176.931 176.094 -0.202 0.000 1.126 132 V CA 0.406 62.300 62.300 -0.678 0.000 1.141 132 V CB -0.867 30.471 31.823 -0.808 0.000 0.743 132 V HN 0.135 nan 8.190 nan 0.000 0.492 133 A N 0.638 123.386 122.820 -0.120 0.000 2.511 133 A HA 0.695 5.016 4.320 0.001 0.000 0.242 133 A C 0.374 177.967 177.584 0.014 0.000 1.069 133 A CA 0.589 52.610 52.037 -0.028 0.000 0.763 133 A CB -0.152 18.843 19.000 -0.008 0.000 1.001 133 A HN 1.551 nan 8.150 nan 0.000 0.498 134 A N 1.357 124.198 122.820 0.036 0.000 2.527 134 A HA 0.961 5.281 4.320 0.001 0.000 0.293 134 A C 0.568 178.175 177.584 0.039 0.000 1.117 134 A CA 0.273 52.342 52.037 0.052 0.000 0.723 134 A CB 0.809 19.857 19.000 0.080 0.000 1.313 134 A HN 2.895 nan 8.150 nan 0.000 0.411 135 G N 0.221 109.043 108.800 0.037 0.000 2.527 135 G HA2 -0.153 3.807 3.960 0.001 0.000 0.227 135 G HA3 -0.153 3.807 3.960 0.001 0.000 0.227 135 G C 0.117 175.030 174.900 0.021 0.000 1.291 135 G CA 0.521 45.638 45.100 0.028 0.000 0.904 135 G HN 0.738 nan 8.290 nan 0.000 0.577 136 D N 0.750 121.160 120.400 0.017 0.000 2.149 136 D HA 0.008 4.648 4.640 0.001 0.000 0.206 136 D C 2.004 178.311 176.300 0.010 0.000 0.967 136 D CA 1.693 55.700 54.000 0.012 0.000 0.848 136 D CB -0.540 40.266 40.800 0.011 0.000 0.998 136 D HN 0.623 nan 8.370 nan 0.000 0.474 137 D N 1.426 121.833 120.400 0.012 0.000 2.357 137 D HA -0.184 4.456 4.640 0.001 0.000 0.216 137 D C 1.692 177.998 176.300 0.009 0.000 0.973 137 D CA 0.633 54.639 54.000 0.010 0.000 0.912 137 D CB -0.126 40.683 40.800 0.015 0.000 0.900 137 D HN 0.015 nan 8.370 nan 0.000 0.501 138 K N 1.490 121.898 120.400 0.013 0.000 1.971 138 K HA -0.255 4.066 4.320 0.001 0.000 0.221 138 K C 1.929 178.535 176.600 0.009 0.000 1.050 138 K CA 1.701 57.996 56.287 0.014 0.000 0.967 138 K CB -0.516 31.994 32.500 0.017 0.000 0.733 138 K HN 0.219 nan 8.250 nan 0.000 0.445 139 K N -0.406 119.999 120.400 0.007 0.000 2.189 139 K HA -0.181 4.139 4.320 0.001 0.000 0.207 139 K C 1.949 178.544 176.600 -0.008 0.000 1.046 139 K CA 1.894 58.184 56.287 0.005 0.000 0.928 139 K CB -0.467 32.035 32.500 0.003 0.000 0.720 139 K HN 0.392 nan 8.250 nan 0.000 0.458 140 G N 0.732 109.522 108.800 -0.018 0.000 2.403 140 G HA2 -0.150 3.810 3.960 0.001 0.000 0.216 140 G HA3 -0.150 3.810 3.960 0.001 0.000 0.216 140 G C 1.422 176.269 174.900 -0.089 0.000 1.154 140 G CA 0.714 45.788 45.100 -0.044 0.000 0.784 140 G HN 0.291 nan 8.290 nan 0.000 0.538 141 I N 0.533 121.068 120.570 -0.060 0.000 2.617 141 I HA -0.046 4.124 4.170 0.001 0.000 0.256 141 I C 2.492 178.543 176.117 -0.110 0.000 1.167 141 I CA 0.127 61.373 61.300 -0.090 0.000 1.469 141 I CB 0.030 38.051 38.000 0.035 0.000 1.098 141 I HN -0.027 nan 8.210 nan 0.000 0.436 142 V N 0.837 120.741 119.914 -0.017 0.000 2.626 142 V HA -0.271 3.850 4.120 0.001 0.000 0.252 142 V C 2.022 178.149 176.094 0.056 0.000 1.067 142 V CA 2.046 64.399 62.300 0.088 0.000 1.081 142 V CB -0.557 31.333 31.823 0.112 0.000 0.686 142 V HN 0.412 nan 8.190 nan 0.000 0.468 143 D N -0.901 119.466 120.400 -0.055 0.000 2.162 143 D HA -0.113 4.527 4.640 0.001 0.000 0.205 143 D C 2.293 178.446 176.300 -0.246 0.000 0.964 143 D CA 0.654 54.602 54.000 -0.087 0.000 0.847 143 D CB 0.004 40.761 40.800 -0.071 0.000 0.988 143 D HN 0.226 nan 8.370 nan 0.000 0.480 144 Q N 0.011 119.562 119.800 -0.415 0.000 2.181 144 Q HA -0.130 4.210 4.340 0.001 0.000 0.205 144 Q C 2.053 177.631 176.000 -0.703 0.000 0.980 144 Q CA 0.876 56.255 55.803 -0.705 0.000 0.862 144 Q CB -0.337 27.547 28.738 -1.423 0.000 0.905 144 Q HN 0.227 nan 8.270 nan 0.000 0.429 145 S N 0.257 115.577 115.700 -0.634 0.000 2.335 145 S HA -0.174 4.296 4.470 0.001 0.000 0.217 145 S C 1.912 175.952 174.600 -0.934 0.000 1.032 145 S CA 1.285 59.011 58.200 -0.791 0.000 0.985 145 S CB -0.046 62.687 63.200 -0.778 0.000 0.896 145 S HN 0.391 nan 8.310 nan 0.000 0.445 146 Q N 0.398 119.709 119.800 -0.815 0.000 2.062 146 Q HA -0.265 4.076 4.340 0.001 0.000 0.209 146 Q C 2.316 178.145 176.000 -0.287 0.000 0.996 146 Q CA 2.289 57.793 55.803 -0.499 0.000 0.859 146 Q CB -0.275 28.499 28.738 0.060 0.000 0.920 146 Q HN 0.654 nan 8.270 nan 0.000 0.415 147 Q N -0.634 119.034 119.800 -0.220 0.000 2.061 147 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 147 Q C 2.104 178.004 176.000 -0.167 0.000 0.984 147 Q CA 1.423 57.146 55.803 -0.133 0.000 0.846 147 Q CB -0.244 28.417 28.738 -0.129 0.000 0.902 147 Q HN 0.520 nan 8.270 nan 0.000 0.421 148 A N 0.067 122.713 122.820 -0.290 0.000 1.902 148 A HA -0.203 4.117 4.320 0.001 0.000 0.217 148 A C 1.724 179.154 177.584 -0.257 0.000 1.181 148 A CA 1.306 53.186 52.037 -0.262 0.000 0.623 148 A CB -0.724 18.082 19.000 -0.323 0.000 0.818 148 A HN 0.348 nan 8.150 nan 0.000 0.443 149 Y N -0.506 119.492 120.300 -0.503 0.000 2.163 149 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 149 Y C 2.717 178.374 175.900 -0.404 0.000 1.136 149 Y CA 1.615 59.263 58.100 -0.754 0.000 1.147 149 Y CB -0.928 36.477 38.460 -1.758 0.000 0.987 149 Y HN 0.444 nan 8.280 nan 0.000 0.509 150 Q N 0.676 120.465 119.800 -0.018 0.000 2.061 150 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 150 Q C 2.157 178.323 176.000 0.276 0.000 0.984 150 Q CA 2.081 58.122 55.803 0.397 0.000 0.846 150 Q CB -0.408 28.541 28.738 0.352 0.000 0.902 150 Q HN 0.541 nan 8.270 nan 0.000 0.421 151 E N -1.381 118.893 120.200 0.124 0.000 2.209 151 E HA -0.203 4.148 4.350 0.001 0.000 0.196 151 E C 1.350 178.014 176.600 0.108 0.000 0.993 151 E CA 0.973 57.427 56.400 0.090 0.000 0.819 151 E CB -0.076 29.643 29.700 0.032 0.000 0.745 151 E HN 0.474 nan 8.360 nan 0.000 0.477 152 A N 0.158 123.062 122.820 0.139 0.000 1.924 152 A HA -0.019 4.301 4.320 0.001 0.000 0.211 152 A C 1.770 179.495 177.584 0.235 0.000 1.198 152 A CA 0.220 52.351 52.037 0.157 0.000 0.657 152 A CB -0.549 18.537 19.000 0.144 0.000 0.852 152 A HN 0.399 nan 8.150 nan 0.000 0.454 153 F N 1.524 121.589 119.950 0.191 0.000 2.069 153 F HA -0.173 4.354 4.527 0.000 0.000 0.298 153 F C 2.069 177.967 175.800 0.164 0.000 1.113 153 F CA 2.253 60.398 58.000 0.242 0.000 1.214 153 F CB -0.515 38.739 39.000 0.424 0.000 0.978 153 F HN 0.363 nan 8.300 nan 0.000 0.474 154 E N 0.112 120.328 120.200 0.028 0.000 2.153 154 E HA -0.205 4.145 4.350 0.001 0.000 0.194 154 E C 2.388 178.931 176.600 -0.094 0.000 0.988 154 E CA 1.461 57.792 56.400 -0.115 0.000 0.811 154 E CB -0.233 29.483 29.700 0.027 0.000 0.746 154 E HN 0.500 nan 8.360 nan 0.000 0.466 155 I N 0.738 121.300 120.570 -0.013 0.000 2.286 155 I HA -0.227 3.943 4.170 0.001 0.000 0.245 155 I C 2.606 178.706 176.117 -0.028 0.000 1.104 155 I CA 1.131 62.428 61.300 -0.005 0.000 1.397 155 I CB -0.225 37.797 38.000 0.036 0.000 1.072 155 I HN 0.133 nan 8.210 nan 0.000 0.417 156 S N 0.449 116.136 115.700 -0.023 0.000 2.414 156 S HA -0.173 4.297 4.470 0.001 0.000 0.227 156 S C 1.889 176.431 174.600 -0.097 0.000 1.022 156 S CA 0.509 58.697 58.200 -0.019 0.000 0.958 156 S CB -0.347 62.896 63.200 0.071 0.000 0.797 156 S HN 0.330 nan 8.310 nan 0.000 0.493 157 K N 1.632 121.880 120.400 -0.253 0.000 2.632 157 K HA 0.085 4.405 4.320 0.001 0.000 0.196 157 K C -0.038 176.448 176.600 -0.190 0.000 1.023 157 K CA 0.391 56.469 56.287 -0.348 0.000 1.098 157 K CB -0.101 31.925 32.500 -0.790 0.000 0.862 157 K HN 0.400 nan 8.250 nan 0.000 0.504 158 K N -0.503 119.827 120.400 -0.117 0.000 2.722 158 K HA 0.112 4.433 4.320 0.001 0.000 0.174 158 K C -0.287 176.283 176.600 -0.050 0.000 1.173 158 K CA -0.106 56.137 56.287 -0.073 0.000 1.143 158 K CB 0.914 33.376 32.500 -0.063 0.000 0.850 158 K HN -0.031 nan 8.250 nan 0.000 0.477 159 E N 0.039 120.209 120.200 -0.051 0.000 2.566 159 E HA 0.227 4.577 4.350 0.001 0.000 0.193 159 E C -0.425 176.137 176.600 -0.064 0.000 0.945 159 E CA 0.426 56.798 56.400 -0.047 0.000 1.449 159 E CB 0.984 30.660 29.700 -0.039 0.000 1.654 159 E HN 0.166 nan 8.360 nan 0.000 0.844 160 M N 1.636 121.203 119.600 -0.056 0.000 2.378 160 M HA 0.256 4.736 4.480 0.001 0.000 0.289 160 M C -0.563 175.738 176.300 0.002 0.000 1.136 160 M CA -0.769 54.490 55.300 -0.068 0.000 0.917 160 M CB 2.684 35.220 32.600 -0.107 0.000 1.669 160 M HN -0.154 nan 8.290 nan 0.000 0.461 161 Q N 1.602 121.417 119.800 0.025 0.000 2.315 161 Q HA 0.153 4.494 4.340 0.001 0.000 0.289 161 Q C -2.149 173.911 176.000 0.100 0.000 1.044 161 Q CA -1.122 54.716 55.803 0.058 0.000 0.920 161 Q CB 0.139 28.918 28.738 0.068 0.000 1.214 161 Q HN 0.320 nan 8.270 nan 0.000 0.392 162 P HA -0.156 nan 4.420 nan 0.000 0.234 162 P C 0.877 178.246 177.300 0.115 0.000 1.162 162 P CA 1.564 64.726 63.100 0.103 0.000 0.759 162 P CB 0.054 31.799 31.700 0.075 0.000 0.813 163 T N -5.522 109.101 114.554 0.116 0.000 3.037 163 T HA -0.014 4.336 4.350 0.001 0.000 0.251 163 T C 0.702 175.478 174.700 0.127 0.000 1.079 163 T CA -0.153 62.013 62.100 0.109 0.000 1.067 163 T CB -0.895 68.028 68.868 0.091 0.000 0.948 163 T HN 0.052 nan 8.240 nan 0.000 0.496 164 H N 4.045 123.155 119.070 0.067 0.000 3.004 164 H HA 0.208 4.764 4.556 0.001 0.000 0.316 164 H C -1.140 174.235 175.328 0.078 0.000 1.014 164 H CA -1.225 54.864 56.048 0.068 0.000 1.454 164 H CB 1.151 30.951 29.762 0.064 0.000 1.472 164 H HN 0.027 nan 8.280 nan 0.000 0.571 165 P HA -0.249 nan 4.420 nan 0.000 0.213 165 P C 1.590 178.887 177.300 -0.006 0.000 1.170 165 P CA 1.604 64.619 63.100 -0.142 0.000 0.902 165 P CB 0.348 31.929 31.700 -0.198 0.000 0.789 166 I N -0.236 120.347 120.570 0.022 0.000 2.145 166 I HA -0.269 3.902 4.170 0.001 0.000 0.244 166 I C 3.092 179.355 176.117 0.243 0.000 1.075 166 I CA 1.762 63.200 61.300 0.229 0.000 1.332 166 I CB -0.576 37.664 38.000 0.400 0.000 1.033 166 I HN -0.057 nan 8.210 nan 0.000 0.410 167 R N 1.121 121.807 120.500 0.309 0.000 2.115 167 R HA -0.120 4.221 4.340 0.001 0.000 0.230 167 R C 2.307 178.740 176.300 0.221 0.000 1.111 167 R CA 1.046 57.298 56.100 0.254 0.000 0.976 167 R CB -0.063 30.378 30.300 0.235 0.000 0.870 167 R HN 0.342 nan 8.270 nan 0.000 0.445 168 L N -0.383 120.945 121.223 0.176 0.000 2.027 168 L HA -0.049 4.291 4.340 0.001 0.000 0.206 168 L C 2.548 179.487 176.870 0.114 0.000 1.074 168 L CA 1.447 56.372 54.840 0.141 0.000 0.745 168 L CB -0.656 41.465 42.059 0.104 0.000 0.898 168 L HN 0.411 nan 8.230 nan 0.000 0.433 169 G N -0.004 108.854 108.800 0.096 0.000 2.418 169 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 169 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 169 G C 1.551 176.494 174.900 0.072 0.000 1.158 169 G CA 0.761 45.901 45.100 0.067 0.000 0.771 169 G HN 0.217 nan 8.290 nan 0.000 0.545 170 L N 1.551 122.843 121.223 0.115 0.000 2.012 170 L HA 0.056 4.397 4.340 0.001 0.000 0.210 170 L C 3.010 179.957 176.870 0.129 0.000 1.073 170 L CA 2.298 57.214 54.840 0.127 0.000 0.748 170 L CB -0.872 41.321 42.059 0.223 0.000 0.891 170 L HN 0.240 nan 8.230 nan 0.000 0.431 171 A N -0.765 122.157 122.820 0.169 0.000 1.902 171 A HA -0.183 4.138 4.320 0.001 0.000 0.217 171 A C 2.240 179.868 177.584 0.074 0.000 1.181 171 A CA 1.825 53.928 52.037 0.110 0.000 0.623 171 A CB -1.008 18.078 19.000 0.143 0.000 0.818 171 A HN 0.504 nan 8.150 nan 0.000 0.443 172 L N 0.531 121.794 121.223 0.067 0.000 1.970 172 L HA -0.198 4.143 4.340 0.001 0.000 0.212 172 L C 1.872 178.769 176.870 0.046 0.000 1.071 172 L CA 2.546 57.412 54.840 0.043 0.000 0.751 172 L CB -0.868 41.198 42.059 0.013 0.000 0.889 172 L HN 0.341 nan 8.230 nan 0.000 0.432 173 N N -0.977 117.720 118.700 -0.005 0.000 2.166 173 N HA -0.203 4.537 4.740 0.001 0.000 0.186 173 N C 1.760 177.156 175.510 -0.190 0.000 1.019 173 N CA 1.304 54.316 53.050 -0.063 0.000 0.856 173 N CB -0.578 37.857 38.487 -0.087 0.000 0.993 173 N HN 0.341 nan 8.380 nan 0.000 0.426 174 F N 2.339 121.980 119.950 -0.515 0.000 2.075 174 F HA -0.189 4.339 4.527 0.000 0.000 0.297 174 F C 2.560 178.307 175.800 -0.089 0.000 1.113 174 F CA 1.415 59.053 58.000 -0.603 0.000 1.218 174 F CB -1.100 37.624 39.000 -0.460 0.000 0.984 174 F HN 0.089 nan 8.300 nan 0.000 0.472 175 S N -0.184 115.662 115.700 0.244 0.000 2.374 175 S HA -0.204 4.267 4.470 0.001 0.000 0.227 175 S C 2.151 177.002 174.600 0.418 0.000 1.037 175 S CA 1.709 60.084 58.200 0.291 0.000 1.024 175 S CB -1.429 61.954 63.200 0.305 0.000 0.861 175 S HN 0.180 nan 8.310 nan 0.000 0.456 176 V N 1.351 121.517 119.914 0.421 0.000 2.515 176 V HA -0.073 4.048 4.120 0.001 0.000 0.250 176 V C 2.103 178.412 176.094 0.358 0.000 1.058 176 V CA 1.799 64.373 62.300 0.457 0.000 1.064 176 V CB -1.240 30.763 31.823 0.299 0.000 0.675 176 V HN 0.565 nan 8.190 nan 0.000 0.461 177 F N 0.547 120.593 119.950 0.160 0.000 2.102 177 F HA -0.196 4.332 4.527 0.000 0.000 0.298 177 F C 2.222 178.088 175.800 0.110 0.000 1.105 177 F CA 1.575 59.642 58.000 0.112 0.000 1.239 177 F CB -0.581 38.456 39.000 0.061 0.000 0.991 177 F HN 0.163 nan 8.300 nan 0.000 0.474 178 Y N -1.024 119.199 120.300 -0.129 0.000 2.181 178 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 178 Y C 2.421 178.152 175.900 -0.281 0.000 1.146 178 Y CA 2.036 59.948 58.100 -0.313 0.000 1.164 178 Y CB -1.311 37.053 38.460 -0.162 0.000 0.982 178 Y HN 0.243 nan 8.280 nan 0.000 0.515 179 Y N 0.609 120.834 120.300 -0.125 0.000 2.084 179 Y HA -0.215 4.335 4.550 0.001 0.000 0.279 179 Y C 2.392 178.226 175.900 -0.111 0.000 1.119 179 Y CA 2.100 60.053 58.100 -0.245 0.000 1.101 179 Y CB -0.427 37.825 38.460 -0.346 0.000 0.989 179 Y HN 0.093 nan 8.280 nan 0.000 0.484 180 E N -0.468 119.832 120.200 0.166 0.000 2.015 180 E HA -0.179 4.172 4.350 0.001 0.000 0.191 180 E C 2.096 178.675 176.600 -0.036 0.000 0.991 180 E CA 1.335 57.793 56.400 0.096 0.000 0.802 180 E CB -0.109 29.723 29.700 0.221 0.000 0.759 180 E HN 0.337 nan 8.360 nan 0.000 0.447 181 I N 0.653 121.177 120.570 -0.077 0.000 2.094 181 I HA -0.185 3.986 4.170 0.001 0.000 0.234 181 I C 1.991 177.954 176.117 -0.256 0.000 1.063 181 I CA 0.893 62.106 61.300 -0.144 0.000 1.328 181 I CB -0.938 36.983 38.000 -0.131 0.000 1.058 181 I HN 0.152 nan 8.210 nan 0.000 0.400 182 L N 1.931 122.856 121.223 -0.498 0.000 2.777 182 L HA 0.175 4.515 4.340 0.001 0.000 0.244 182 L C 0.782 177.521 176.870 -0.218 0.000 1.235 182 L CA 0.410 55.033 54.840 -0.363 0.000 1.062 182 L CB -1.942 39.814 42.059 -0.505 0.000 1.340 182 L HN 0.271 nan 8.230 nan 0.000 0.439 183 N N -0.138 118.432 118.700 -0.217 0.000 2.691 183 N HA -0.263 4.477 4.740 0.001 0.000 0.259 183 N C 0.100 175.465 175.510 -0.242 0.000 0.961 183 N CA 0.847 53.755 53.050 -0.235 0.000 0.828 183 N CB -0.280 38.106 38.487 -0.169 0.000 0.936 183 N HN 0.428 nan 8.380 nan 0.000 0.553 184 S N 0.253 115.809 115.700 -0.240 0.000 2.497 184 S HA 0.261 4.731 4.470 0.001 0.000 0.176 184 S C -1.207 173.215 174.600 -0.296 0.000 1.445 184 S CA -1.655 56.414 58.200 -0.218 0.000 1.092 184 S CB 0.804 63.926 63.200 -0.130 0.000 1.216 184 S HN 0.175 nan 8.310 nan 0.000 0.486 185 P HA -0.137 nan 4.420 nan 0.000 0.224 185 P C 0.496 177.651 177.300 -0.242 0.000 1.142 185 P CA 0.974 63.858 63.100 -0.359 0.000 0.778 185 P CB 0.349 31.846 31.700 -0.339 0.000 0.764 186 E N 1.383 121.446 120.200 -0.229 0.000 2.012 186 E HA -0.088 4.262 4.350 0.001 0.000 0.192 186 E C 2.003 178.448 176.600 -0.259 0.000 0.977 186 E CA 1.155 57.435 56.400 -0.199 0.000 0.832 186 E CB -0.841 28.754 29.700 -0.175 0.000 0.790 186 E HN 0.217 nan 8.360 nan 0.000 0.466 187 K N 1.089 121.277 120.400 -0.354 0.000 2.293 187 K HA -0.168 4.152 4.320 0.001 0.000 0.204 187 K C 2.084 178.383 176.600 -0.501 0.000 1.045 187 K CA 0.979 56.945 56.287 -0.535 0.000 0.933 187 K CB -0.372 31.560 32.500 -0.947 0.000 0.736 187 K HN 0.140 nan 8.250 nan 0.000 0.463 188 A N 1.525 124.110 122.820 -0.392 0.000 1.859 188 A HA -0.248 4.072 4.320 0.001 0.000 0.217 188 A C 2.433 179.839 177.584 -0.297 0.000 1.198 188 A CA 1.973 53.775 52.037 -0.392 0.000 0.629 188 A CB -1.074 17.579 19.000 -0.579 0.000 0.830 188 A HN 0.534 nan 8.150 nan 0.000 0.446 189 C N -0.949 118.221 119.300 -0.217 0.000 2.485 189 C HA 0.111 4.571 4.460 0.001 0.000 0.277 189 C C 3.011 177.993 174.990 -0.013 0.000 1.376 189 C CA 0.322 59.349 59.018 0.014 0.000 1.759 189 C CB -1.219 26.548 27.740 0.045 0.000 1.970 189 C HN 0.588 nan 8.230 nan 0.000 0.509 190 S N 1.955 117.588 115.700 -0.111 0.000 2.389 190 S HA -0.248 4.222 4.470 0.001 0.000 0.229 190 S C 1.720 176.268 174.600 -0.087 0.000 1.048 190 S CA 2.104 60.234 58.200 -0.117 0.000 1.117 190 S CB -0.554 62.519 63.200 -0.212 0.000 1.020 190 S HN 0.564 nan 8.310 nan 0.000 0.430 191 L N 1.309 122.441 121.223 -0.153 0.000 2.313 191 L HA 0.267 4.607 4.340 0.001 0.000 0.214 191 L C 2.195 179.056 176.870 -0.014 0.000 1.119 191 L CA 1.261 56.015 54.840 -0.143 0.000 0.809 191 L CB -1.165 40.662 42.059 -0.387 0.000 0.933 191 L HN 0.236 nan 8.230 nan 0.000 0.449 192 A N 0.002 122.851 122.820 0.049 0.000 1.851 192 A HA -0.257 4.063 4.320 0.001 0.000 0.216 192 A C 2.312 179.993 177.584 0.161 0.000 1.195 192 A CA 2.172 54.289 52.037 0.133 0.000 0.622 192 A CB -0.491 18.660 19.000 0.252 0.000 0.831 192 A HN 0.471 nan 8.150 nan 0.000 0.444 193 K N -1.067 119.431 120.400 0.164 0.000 1.973 193 K HA -0.108 4.212 4.320 0.001 0.000 0.212 193 K C 2.186 178.913 176.600 0.211 0.000 1.047 193 K CA 1.811 58.242 56.287 0.240 0.000 0.937 193 K CB -0.813 31.788 32.500 0.167 0.000 0.721 193 K HN 0.474 nan 8.250 nan 0.000 0.440 194 T N 1.410 116.038 114.554 0.123 0.000 2.594 194 T HA -0.298 4.052 4.350 0.001 0.000 0.266 194 T C 2.005 176.782 174.700 0.128 0.000 1.070 194 T CA 2.102 64.262 62.100 0.101 0.000 1.166 194 T CB -0.538 68.383 68.868 0.089 0.000 0.862 194 T HN 0.448 nan 8.240 nan 0.000 0.436 195 A N 0.278 123.196 122.820 0.164 0.000 2.019 195 A HA 0.032 4.352 4.320 0.001 0.000 0.219 195 A C 1.983 179.688 177.584 0.202 0.000 1.164 195 A CA 1.324 53.475 52.037 0.190 0.000 0.644 195 A CB -0.744 18.377 19.000 0.203 0.000 0.805 195 A HN 0.519 nan 8.150 nan 0.000 0.449 196 F N 1.189 121.172 119.950 0.056 0.000 2.118 196 F HA -0.035 4.492 4.527 0.001 0.000 0.293 196 F C 1.619 177.441 175.800 0.038 0.000 1.102 196 F CA 1.582 59.606 58.000 0.040 0.000 1.247 196 F CB -0.335 38.681 39.000 0.027 0.000 1.017 196 F HN 0.203 nan 8.300 nan 0.000 0.475 197 D N 0.508 120.741 120.400 -0.278 0.000 2.144 197 D HA -0.164 4.476 4.640 0.001 0.000 0.199 197 D C 2.087 178.264 176.300 -0.204 0.000 0.984 197 D CA 1.470 55.246 54.000 -0.373 0.000 0.834 197 D CB -0.419 40.289 40.800 -0.152 0.000 0.955 197 D HN 0.510 nan 8.370 nan 0.000 0.465 198 E N 0.424 120.580 120.200 -0.073 0.000 2.204 198 E HA -0.076 4.275 4.350 0.001 0.000 0.194 198 E C 1.980 178.567 176.600 -0.022 0.000 0.989 198 E CA 0.752 57.138 56.400 -0.022 0.000 0.824 198 E CB 0.062 29.784 29.700 0.036 0.000 0.756 198 E HN 0.185 nan 8.360 nan 0.000 0.477 199 A N 0.852 123.658 122.820 -0.024 0.000 1.970 199 A HA -0.065 4.256 4.320 0.001 0.000 0.216 199 A C 2.074 179.632 177.584 -0.044 0.000 1.170 199 A CA 0.538 52.581 52.037 0.009 0.000 0.645 199 A CB -0.306 18.741 19.000 0.079 0.000 0.816 199 A HN 0.108 nan 8.150 nan 0.000 0.447 200 I N -0.054 120.415 120.570 -0.167 0.000 2.315 200 I HA -0.254 3.917 4.170 0.001 0.000 0.248 200 I C 2.952 179.012 176.117 -0.094 0.000 1.117 200 I CA 0.868 62.063 61.300 -0.175 0.000 1.404 200 I CB -0.423 37.367 38.000 -0.350 0.000 1.071 200 I HN 0.340 nan 8.210 nan 0.000 0.419 201 A N 0.982 123.750 122.820 -0.087 0.000 1.884 201 A HA -0.248 4.072 4.320 0.001 0.000 0.219 201 A C 1.913 179.485 177.584 -0.021 0.000 1.197 201 A CA 2.100 54.108 52.037 -0.049 0.000 0.637 201 A CB -0.531 18.446 19.000 -0.039 0.000 0.827 201 A HN 0.421 nan 8.150 nan 0.000 0.450 202 E N -0.520 119.676 120.200 -0.007 0.000 2.444 202 E HA 0.292 4.642 4.350 0.001 0.000 0.191 202 E C 1.286 177.900 176.600 0.022 0.000 1.041 202 E CA -0.278 56.129 56.400 0.011 0.000 0.883 202 E CB -0.036 29.677 29.700 0.023 0.000 1.024 202 E HN 0.579 nan 8.360 nan 0.000 0.470 203 L N 1.589 122.822 121.223 0.016 0.000 2.081 203 L HA -0.231 4.109 4.340 0.001 0.000 0.212 203 L C 1.408 178.304 176.870 0.044 0.000 1.080 203 L CA 1.730 56.593 54.840 0.038 0.000 0.754 203 L CB -0.092 41.983 42.059 0.026 0.000 0.893 203 L HN 0.313 nan 8.230 nan 0.000 0.433 204 D N -2.446 117.968 120.400 0.022 0.000 2.378 204 D HA -0.101 4.539 4.640 0.001 0.000 0.227 204 D C 1.289 177.595 176.300 0.010 0.000 1.012 204 D CA 0.816 54.823 54.000 0.012 0.000 0.905 204 D CB -0.019 40.783 40.800 0.002 0.000 0.895 204 D HN 0.302 nan 8.370 nan 0.000 0.532 205 T N 0.951 115.520 114.554 0.024 0.000 3.523 205 T HA 0.121 4.471 4.350 0.001 0.000 0.216 205 T C 1.052 175.774 174.700 0.037 0.000 0.922 205 T CA -0.356 61.760 62.100 0.026 0.000 1.558 205 T CB -0.333 68.556 68.868 0.034 0.000 1.424 205 T HN 0.103 nan 8.240 nan 0.000 0.452 206 L N 3.035 124.298 121.223 0.067 0.000 4.155 206 L HA -0.166 4.174 4.340 0.001 0.000 0.485 206 L C 0.742 177.661 176.870 0.082 0.000 1.058 206 L CA -0.627 54.274 54.840 0.102 0.000 0.630 206 L CB -1.825 40.334 42.059 0.167 0.000 1.297 206 L HN 0.326 nan 8.230 nan 0.000 0.736 207 S N 0.924 116.656 115.700 0.052 0.000 2.537 207 S HA -0.082 4.388 4.470 0.001 0.000 0.280 207 S C 1.588 176.212 174.600 0.040 0.000 1.335 207 S CA -0.074 58.140 58.200 0.024 0.000 1.025 207 S CB 0.568 63.784 63.200 0.027 0.000 0.836 207 S HN 0.561 nan 8.310 nan 0.000 0.523 208 E N 1.522 121.713 120.200 -0.015 0.000 2.492 208 E HA -0.178 4.172 4.350 0.001 0.000 0.207 208 E C 1.257 177.926 176.600 0.115 0.000 1.112 208 E CA 0.795 57.188 56.400 -0.011 0.000 0.910 208 E CB -0.222 29.447 29.700 -0.051 0.000 0.852 208 E HN 0.748 nan 8.360 nan 0.000 0.593 209 E N 0.218 120.483 120.200 0.109 0.000 2.062 209 E HA -0.008 4.343 4.350 0.001 0.000 0.196 209 E C 1.789 178.454 176.600 0.108 0.000 0.949 209 E CA 0.363 56.823 56.400 0.100 0.000 0.889 209 E CB 0.183 29.923 29.700 0.066 0.000 0.928 209 E HN 0.030 nan 8.360 nan 0.000 0.476 210 S N 0.810 116.563 115.700 0.088 0.000 2.387 210 S HA -0.227 4.243 4.470 0.001 0.000 0.230 210 S C 1.496 176.138 174.600 0.070 0.000 1.035 210 S CA 1.411 59.636 58.200 0.042 0.000 1.014 210 S CB -0.740 62.481 63.200 0.036 0.000 0.836 210 S HN 0.406 nan 8.310 nan 0.000 0.466 211 Y N 2.813 123.114 120.300 0.002 0.000 2.031 211 Y HA -0.458 4.092 4.550 0.000 0.000 0.169 211 Y C 1.933 177.836 175.900 0.005 0.000 1.168 211 Y CA 2.295 60.399 58.100 0.007 0.000 0.813 211 Y CB -1.011 37.454 38.460 0.008 0.000 0.648 211 Y HN 0.050 nan 8.280 nan 0.000 0.607 212 K N 0.344 120.421 120.400 -0.538 0.000 1.969 212 K HA -0.211 4.110 4.320 0.001 0.000 0.223 212 K C 1.901 178.334 176.600 -0.279 0.000 1.048 212 K CA 1.837 57.784 56.287 -0.567 0.000 0.983 212 K CB -1.268 31.048 32.500 -0.308 0.000 0.738 212 K HN 0.605 nan 8.250 nan 0.000 0.446 213 D N 0.629 120.936 120.400 -0.154 0.000 2.170 213 D HA -0.152 4.489 4.640 0.001 0.000 0.193 213 D C 1.937 178.188 176.300 -0.082 0.000 1.004 213 D CA 1.325 55.266 54.000 -0.098 0.000 0.860 213 D CB 0.014 40.770 40.800 -0.072 0.000 0.931 213 D HN 0.148 nan 8.370 nan 0.000 0.448 214 S N 0.120 115.775 115.700 -0.076 0.000 2.351 214 S HA -0.192 4.278 4.470 0.001 0.000 0.220 214 S C 2.314 176.905 174.600 -0.015 0.000 1.035 214 S CA 2.232 60.416 58.200 -0.027 0.000 1.031 214 S CB -0.621 62.586 63.200 0.011 0.000 0.928 214 S HN 0.548 nan 8.310 nan 0.000 0.433 215 T N 1.632 116.150 114.554 -0.059 0.000 2.708 215 T HA 0.005 4.356 4.350 0.001 0.000 0.266 215 T C 1.821 176.490 174.700 -0.052 0.000 1.037 215 T CA 1.096 63.171 62.100 -0.042 0.000 1.146 215 T CB -0.894 67.911 68.868 -0.104 0.000 0.865 215 T HN 0.268 nan 8.240 nan 0.000 0.435 216 L N 0.450 121.618 121.223 -0.092 0.000 2.021 216 L HA -0.099 4.242 4.340 0.001 0.000 0.215 216 L C 2.870 179.704 176.870 -0.059 0.000 1.074 216 L CA 1.741 56.534 54.840 -0.079 0.000 0.760 216 L CB -0.728 41.281 42.059 -0.082 0.000 0.889 216 L HN 0.289 nan 8.230 nan 0.000 0.433 217 I N -0.782 119.764 120.570 -0.041 0.000 2.142 217 I HA -0.327 3.844 4.170 0.001 0.000 0.240 217 I C 2.653 178.752 176.117 -0.029 0.000 1.078 217 I CA 1.480 62.764 61.300 -0.028 0.000 1.343 217 I CB -0.305 37.694 38.000 -0.001 0.000 1.046 217 I HN 0.238 nan 8.210 nan 0.000 0.405 218 M N -0.094 119.517 119.600 0.018 0.000 2.192 218 M HA -0.313 4.167 4.480 0.001 0.000 0.259 218 M C 2.357 178.596 176.300 -0.102 0.000 1.071 218 M CA 1.881 57.216 55.300 0.058 0.000 1.082 218 M CB -0.538 32.192 32.600 0.216 0.000 1.373 218 M HN 0.287 nan 8.290 nan 0.000 0.408 219 Q N 0.500 120.249 119.800 -0.085 0.000 2.020 219 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 219 Q C 2.070 177.957 176.000 -0.188 0.000 0.982 219 Q CA 1.423 57.146 55.803 -0.132 0.000 0.838 219 Q CB -0.096 28.589 28.738 -0.089 0.000 0.899 219 Q HN 0.517 nan 8.270 nan 0.000 0.423 220 L N 0.216 121.347 121.223 -0.153 0.000 2.042 220 L HA -0.238 4.102 4.340 0.001 0.000 0.210 220 L C 2.368 179.093 176.870 -0.242 0.000 1.076 220 L CA 0.908 55.640 54.840 -0.181 0.000 0.749 220 L CB -0.430 41.551 42.059 -0.130 0.000 0.893 220 L HN 0.337 nan 8.230 nan 0.000 0.432 221 L N -0.456 120.643 121.223 -0.207 0.000 2.042 221 L HA -0.276 4.065 4.340 0.001 0.000 0.210 221 L C 2.880 179.528 176.870 -0.369 0.000 1.076 221 L CA 1.492 56.199 54.840 -0.222 0.000 0.749 221 L CB -0.390 41.601 42.059 -0.113 0.000 0.893 221 L HN 0.276 nan 8.230 nan 0.000 0.432 222 R N -0.177 120.021 120.500 -0.503 0.000 2.075 222 R HA -0.139 4.202 4.340 0.001 0.000 0.226 222 R C 1.895 177.960 176.300 -0.393 0.000 1.114 222 R CA 1.493 57.236 56.100 -0.595 0.000 0.972 222 R CB -0.135 29.721 30.300 -0.740 0.000 0.869 222 R HN 0.323 nan 8.270 nan 0.000 0.437 223 D N 0.671 120.870 120.400 -0.335 0.000 2.158 223 D HA -0.200 4.440 4.640 0.001 0.000 0.197 223 D C 1.418 177.476 176.300 -0.405 0.000 0.995 223 D CA 1.016 54.838 54.000 -0.297 0.000 0.846 223 D CB -0.370 40.282 40.800 -0.247 0.000 0.941 223 D HN 0.306 nan 8.370 nan 0.000 0.456 224 N N 0.780 119.154 118.700 -0.542 0.000 2.039 224 N HA -0.093 4.647 4.740 0.001 0.000 0.193 224 N C 2.273 177.254 175.510 -0.883 0.000 1.044 224 N CA 0.514 52.978 53.050 -0.976 0.000 0.847 224 N CB -0.521 37.265 38.487 -1.169 0.000 1.030 224 N HN 0.217 nan 8.380 nan 0.000 0.422 225 L N 0.952 121.913 121.223 -0.437 0.000 2.021 225 L HA -0.243 4.097 4.340 0.001 0.000 0.215 225 L C 2.357 179.191 176.870 -0.059 0.000 1.074 225 L CA 1.342 56.140 54.840 -0.071 0.000 0.760 225 L CB -0.990 41.025 42.059 -0.075 0.000 0.889 225 L HN 0.211 nan 8.230 nan 0.000 0.433 226 T N 0.106 114.565 114.554 -0.158 0.000 2.545 226 T HA -0.204 4.146 4.350 0.001 0.000 0.261 226 T C 1.541 176.193 174.700 -0.081 0.000 1.097 226 T CA 1.315 63.352 62.100 -0.105 0.000 1.189 226 T CB -0.381 68.406 68.868 -0.134 0.000 0.863 226 T HN 0.058 nan 8.240 nan 0.000 0.405 227 L N 0.112 121.237 121.223 -0.163 0.000 2.721 227 L HA 0.023 4.363 4.340 0.001 0.000 0.241 227 L C 1.399 178.246 176.870 -0.039 0.000 1.168 227 L CA 0.741 55.507 54.840 -0.125 0.000 0.866 227 L CB -0.779 41.168 42.059 -0.186 0.000 0.996 227 L HN 0.395 nan 8.230 nan 0.000 0.451 228 W N -1.285 119.924 121.300 -0.152 0.000 2.872 228 W HA 0.233 4.894 4.660 0.001 0.000 0.266 228 W C 0.871 177.367 176.519 -0.038 0.000 1.276 228 W CA -0.218 57.022 57.345 -0.176 0.000 1.471 228 W CB -0.221 29.065 29.460 -0.289 0.000 1.071 228 W HN -0.092 nan 8.180 nan 0.000 0.619 229 T N 0.776 115.433 114.554 0.171 0.000 2.943 229 T HA 0.702 5.052 4.350 0.001 0.000 0.284 229 T C 0.238 174.983 174.700 0.075 0.000 1.015 229 T CA 0.467 62.631 62.100 0.107 0.000 1.042 229 T CB 1.673 70.585 68.868 0.075 0.000 1.055 229 T HN -0.022 nan 8.240 nan 0.000 0.500 230 S N 0.000 115.736 115.700 0.060 0.000 2.498 230 S HA 0.000 4.470 4.470 0.001 0.000 0.327 230 S CA 0.000 nan 58.200 nan 0.000 1.107 230 S CB 0.000 nan 63.200 nan 0.000 0.593 230 S HN 0.000 nan 8.310 nan 0.000 0.517